| 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 | 34.7 | Very low | 48.9 | Very low | 212 Ų | 212 | 126.4 Ų | 126.4 | 100% | 1.044 | 66% | 0.663 | S | S | * | * | 0 | -39.1 | 0 | -85.5 | -179.5 | 165.9 | 0 | 0 | 113.3 | S3 A4 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.93Å; M1-A4 PolarHBondContact O-N 3.46Å | |||
| 2 | I | 40.7 | Very low | 50.4 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 80% | 0.795 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.9 | -21.7 | 179.3 | -62.5 | 172 | 0 | 0 | 0 | 113.5 | A4 | I2-A4 PolarHBondContact O-N 3.36Å |
| 3 | S | 42.7 | Very low | 51 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.3 | -16.6 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | M1 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.93Å |
| 4 | A | 47.1 | Very low | 51.7 | Low | 64 Ų | 64 | 116.3 Ų | 116.3 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78 | -27 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 I2 R7 | M1-A4 PolarHBondContact O-N 3.46Å; I2-A4 PolarHBondContact O-N 3.36Å; A4-R7 PolarHBondContact O-N 3.3Å |
| 5 | I | 49.7 | Very low | 52.8 | Low | 115 Ų | 115 | 111.6 Ų | 111.6 | 59% | 0.59 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.6 | -28.3 | -176.7 | -61.9 | 173.9 | 0 | 0 | 0 | 111.4 | R7 H8 | I5-R7 PolarHBondContact O-N 3.29Å; I5-H8 PolarHBondContact O-N 3.07Å |
| 6 | S | 51.6 | Low | 53.8 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.1 | -35.3 | 174.7 | 160.1 | 0 | 0 | 0 | 0 | 113.1 | M10 | S6-M10 PolarHBondContact O-N 2.92Å |
| 7 | R | 50.4 | Low | 54.8 | Low | 191 Ų | 191 | 112.1 Ų | 112.1 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.5 | -33.7 | 178.7 | -80.8 | -173 | 178.2 | -173.7 | -0.3 | 112.9 | A4 I5 M10 I11 | A4-R7 PolarHBondContact O-N 3.3Å; I5-R7 PolarHBondContact O-N 3.29Å; R7-M10 PolarHBondContact O-N 3.35Å; R7-I11 WeakPolarHBondContact O-CG1 3.16Å; R7-I11 PolarHBondContact O-N 2.73Å |
| 8 | H | 53.1 | Low | 55.8 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 63% | 0.625 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.7 | -40.3 | 178 | -105.6 | 53.8 | 0 | 0 | 0 | 112.3 | I5 M10 I11 V12 | I5-H8 PolarHBondContact O-N 3.07Å; H8-M10 VanDerWaalsContact C-N 3.33Å; H8-M10 PolarHBondContact O-N 2.48Å; H8-I11 PolarHBondContact O-N 3.16Å; H8-V12 WeakPolarHBondContact O-CG2 3.42Å; H8-V12 PolarHBondContact O-N 3.13Å; H8-V12 VanDerWaalsContact O-N 3.08Å |
| 9 | N | 53 | Low | 57 | Low | 108 Ų | 108 | 109 Ų | 109 | 58% | 0.578 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.9 | -32.1 | 177.9 | -75.4 | -11.4 | 0 | 0 | 0 | 113.2 | C13 | N9-C13 PolarHBondContact O-N 2.8Å; N9-C13 VanDerWaalsContact O-N 3.1Å |
| 10 | M | 51.8 | Low | 57.9 | Low | 124 Ų | 124 | 110.8 Ų | 110.8 | 61% | 0.611 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.7 | -37.3 | 172.5 | -96.1 | -153 | -71.8 | 0 | 0 | 112.8 | S6 R7 H8 C13 C14 | S6-M10 PolarHBondContact O-N 2.92Å; R7-M10 PolarHBondContact O-N 3.35Å; H8-M10 VanDerWaalsContact C-N 3.33Å; H8-M10 PolarHBondContact O-N 2.48Å; M10-C13 PolarHBondContact O-N 2.94Å; M10-C14 PolarHBondContact O-N 2.81Å; M10-C14 PolarHBondContact O-SG 2.88Å; M10-C14 VanDerWaalsContact O-SG 3.33Å |
| 11 | I | 63.5 | Low | 58.9 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 177.9 | -65 | 165.6 | 0 | 0 | 0 | 110.2 | R7 H8 C14 A15 | R7-I11 WeakPolarHBondContact O-CG1 3.16Å; R7-I11 PolarHBondContact O-N 2.73Å; H8-I11 PolarHBondContact O-N 3.16Å; I11-C14 PolarHBondContact O-N 2.81Å; I11-A15 PolarHBondContact O-N 3.32Å |
| 12 | V | 66.7 | Low | 61 | Low | 73 Ų | 73 | 104 Ų | 104 | 44% | 0.442 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -42.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.3 | H8 C14 A15 F16 | H8-V12 WeakPolarHBondContact O-CG2 3.42Å; H8-V12 PolarHBondContact O-N 3.13Å; H8-V12 VanDerWaalsContact O-N 3.08Å; V12-C14 PolarHBondContact O-N 2.98Å; V12-A15 PolarHBondContact O-N 2.9Å; V12-F16 HydrophobicContact CG1-CD2 3.87Å; V12-F16 HydrophobicContact CG1-CE2 3.89Å; V12-F16 WeakPolarHBondContact O-CD2 3.45Å; V12-F16 PolarHBondContact O-N 2.95Å |
| 13 | C | 57.3 | Low | 62.9 | Low | 88 Ų | 88 | 100.9 Ų | 100.9 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -40 | 175.1 | -79.2 | 0 | 0 | 0 | 0 | 112.7 | N9 M10 A15 F16 T17 | N9-C13 PolarHBondContact O-N 2.8Å; N9-C13 VanDerWaalsContact O-N 3.1Å; M10-C13 PolarHBondContact O-N 2.94Å; C13-A15 VanDerWaalsContact C-N 3.33Å; C13-A15 PolarHBondContact O-N 2.87Å; C13-F16 PolarHBondContact O-N 2.75Å; C13-T17 PolarHBondContact O-N 3.23Å; C13-T17 VanDerWaalsContact O-N 3.08Å; C13-T17 PolarHBondContact O-OG1 3.46Å; C13-T17 VanDerWaalsContact O-OG1 3.11Å |
| 14 | C | 61.4 | Low | 64.4 | Low | 77 Ų | 77 | 101.8 Ų | 101.8 | 52% | 0.52 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | M10 I11 V12 T17 C18 | M10-C14 PolarHBondContact O-N 2.81Å; M10-C14 PolarHBondContact O-SG 2.88Å; M10-C14 VanDerWaalsContact O-SG 3.33Å; I11-C14 PolarHBondContact O-N 2.81Å; V12-C14 PolarHBondContact O-N 2.98Å; C14-T17 WeakPolarHBondContact CA-OG1 3.27Å; C14-T17 PolarHBondContact O-OG1 3.03Å; C14-C18 WeakPolarHBondContact O-CB 3.4Å; C14-C18 PolarHBondContact O-N 2.83Å; C14-C18 PolarHBondContact O-SG 3.48Å |
| 15 | A | 68.8 | Low | 65.8 | Low | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I11 V12 C13 C18 I19 | I11-A15 PolarHBondContact O-N 3.32Å; V12-A15 PolarHBondContact O-N 2.9Å; C13-A15 VanDerWaalsContact C-N 3.33Å; C13-A15 PolarHBondContact O-N 2.87Å; A15-C18 PolarHBondContact O-N 3.41Å; A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 2.94Å; A15-I19 PolarHBondContact O-N 3.29Å |
| 16 | F | 68.9 | Low | 67.1 | Low | 145 Ų | 145 | 106 Ų | 106 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 176.9 | -90.2 | -79.3 | 0 | 0 | 0 | 112.6 | V12 C13 I19 F20 | V12-F16 HydrophobicContact CG1-CD2 3.87Å; V12-F16 HydrophobicContact CG1-CE2 3.89Å; V12-F16 WeakPolarHBondContact O-CD2 3.45Å; V12-F16 PolarHBondContact O-N 2.95Å; C13-F16 PolarHBondContact O-N 2.75Å; F16-I19 PolarHBondContact O-N 2.71Å; F16-F20 WeakPolarHBondContact O-CB 3.41Å; F16-F20 PolarHBondContact O-N 2.95Å |
| 17 | T | 70.3 | Confident | 68 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | C13 C14 F20 V21 | C13-T17 PolarHBondContact O-N 3.23Å; C13-T17 VanDerWaalsContact O-N 3.08Å; C13-T17 PolarHBondContact O-OG1 3.46Å; C13-T17 VanDerWaalsContact O-OG1 3.11Å; C14-T17 WeakPolarHBondContact CA-OG1 3.27Å; C14-T17 PolarHBondContact O-OG1 3.03Å; T17-F20 PolarHBondContact O-N 2Å; T17-V21 WeakPolarHBondContact O-CG2 3.29Å; T17-V21 PolarHBondContact O-N 2.8Å |
| 18 | C | 72 | Confident | 68.8 | Low | 73 Ų | 73 | 103.9 Ų | 103.9 | 49% | 0.493 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.2 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | C14 A15 F20 V21 I22 | C14-C18 WeakPolarHBondContact O-CB 3.4Å; C14-C18 PolarHBondContact O-N 2.83Å; C14-C18 PolarHBondContact O-SG 3.48Å; A15-C18 PolarHBondContact O-N 3.41Å; C18-F20 VanDerWaalsContact C-N 3.31Å; C18-F20 PolarHBondContact O-N 3.36Å; C18-V21 PolarHBondContact O-N 3.35Å; C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.43Å; C18-I22 PolarHBondContact O-N 3.22Å |
| 19 | I | 79.8 | Confident | 69.1 | Low | 92 Ų | 92 | 102.5 Ų | 102.5 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.2 | -68.5 | 165.8 | 0 | 0 | 0 | 110.4 | A15 F16 V21 I22 I23 | A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 2.94Å; A15-I19 PolarHBondContact O-N 3.29Å; F16-I19 PolarHBondContact O-N 2.71Å; I19-V21 PolarHBondContact O-N 2.81Å; I19-I22 PolarHBondContact O-N 3.31Å; I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 HydrophobicContact CG2-CG1 4.43Å; I19-I23 WeakPolarHBondContact O-CG1 3.15Å; I19-I23 PolarHBondContact O-N 3.1Å |
| 20 | F | 75.3 | Confident | 69.7 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -42 | 178 | -143.3 | -88.6 | 0 | 0 | 0 | 112 | F16 T17 C18 I23 Q24 | F16-F20 WeakPolarHBondContact O-CB 3.41Å; F16-F20 PolarHBondContact O-N 2.95Å; T17-F20 PolarHBondContact O-N 2Å; C18-F20 VanDerWaalsContact C-N 3.31Å; C18-F20 PolarHBondContact O-N 3.36Å; F20-I23 PolarHBondContact O-N 2.83Å; F20-Q24 WeakPolarHBondContact O-CB 3.49Å; F20-Q24 PolarHBondContact O-N 3.28Å |
| 21 | V | 77.6 | Confident | 69.7 | Low | 76 Ų | 76 | 103 Ų | 103 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | T17 C18 I19 Q24 L25 | T17-V21 WeakPolarHBondContact O-CG2 3.29Å; T17-V21 PolarHBondContact O-N 2.8Å; C18-V21 PolarHBondContact O-N 3.35Å; I19-V21 PolarHBondContact O-N 2.81Å; V21-Q24 PolarHBondContact O-N 2.9Å; V21-L25 HydrophobicContact CG1-CD1 4.01Å; V21-L25 HydrophobicContact CG1-CG 4.5Å; V21-L25 WeakPolarHBondContact O-CB 2.88Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.13Å |
| 22 | I | 80.3 | Confident | 69.2 | Low | 104 Ų | 104 | 102.1 Ų | 102.1 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 175.9 | -69.3 | 166.3 | 0 | 0 | 0 | 110.7 | C18 I19 Q24 L25 Y26 | C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.43Å; C18-I22 PolarHBondContact O-N 3.22Å; I19-I22 PolarHBondContact O-N 3.31Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.9Å; I22-L25 PolarHBondContact O-N 2.85Å; I22-Y26 WeakPolarHBondContact O-CB 3.4Å; I22-Y26 PolarHBondContact O-N 2.77Å |
| 23 | I | 80 | Confident | 68.4 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.8 | -68.3 | 167.6 | 0 | 0 | 0 | 110.3 | I19 F20 L25 Y26 I27 | I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 HydrophobicContact CG2-CG1 4.43Å; I19-I23 WeakPolarHBondContact O-CG1 3.15Å; I19-I23 PolarHBondContact O-N 3.1Å; F20-I23 PolarHBondContact O-N 2.83Å; I23-L25 PolarHBondContact O-N 3.09Å; I23-Y26 PolarHBondContact O-N 2.8Å; I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 HydrophobicContact CG2-CG1 4.45Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.38Å; I23-I27 PolarHBondContact O-N 2.83Å |
| 24 | Q | 73.5 | Confident | 67.7 | Low | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 177.6 | -131 | 176.9 | -7.1 | 0 | 0 | 112.1 | F20 V21 I22 Y26 I27 Q28 | F20-Q24 WeakPolarHBondContact O-CB 3.49Å; F20-Q24 PolarHBondContact O-N 3.28Å; V21-Q24 PolarHBondContact O-N 2.9Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.9Å; Q24-Y26 VanDerWaalsContact C-N 3.35Å; Q24-I27 PolarHBondContact O-N 3.12Å; Q24-Q28 WeakPolarHBondContact O-CG 3.3Å; Q24-Q28 PolarHBondContact O-N 3.15Å |
| 25 | L | 76.3 | Confident | 66.5 | Low | 99 Ų | 99 | 108.5 Ų | 108.5 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 172.3 | -77.9 | 166.5 | 0 | 0 | 0 | 111.4 | V21 I22 I23 Q28 L29 | V21-L25 HydrophobicContact CG1-CD1 4.01Å; V21-L25 HydrophobicContact CG1-CG 4.5Å; V21-L25 WeakPolarHBondContact O-CB 2.88Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.13Å; I22-L25 PolarHBondContact O-N 2.85Å; I23-L25 PolarHBondContact O-N 3.09Å; L25-Q28 PolarHBondContact O-N 3.31Å; L25-L29 WeakPolarHBondContact O-CB 2.88Å; L25-L29 PolarHBondContact O-N 2.76Å |
| 26 | Y | 77.2 | Confident | 64.7 | Low | 170 Ų | 170 | 110.3 Ų | 110.3 | 67% | 0.667 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.3 | -39.7 | 177.4 | -144.2 | -88.7 | 0 | 0 | 0 | 111.9 | I22 I23 Q24 L29 Y30 | I22-Y26 WeakPolarHBondContact O-CB 3.4Å; I22-Y26 PolarHBondContact O-N 2.77Å; I23-Y26 PolarHBondContact O-N 2.8Å; Q24-Y26 VanDerWaalsContact C-N 3.35Å; Y26-L29 PolarHBondContact O-N 2.98Å; Y26-Y30 WeakPolarHBondContact O-CB 3.16Å; Y26-Y30 PolarHBondContact O-N 2.77Å |
| 27 | I | 71.6 | Confident | 63.2 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -44 | 173.7 | -68 | 167.5 | 0 | 0 | 0 | 110.2 | I23 Q24 L29 Y30 V31 | I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 HydrophobicContact CG2-CG1 4.45Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.38Å; I23-I27 PolarHBondContact O-N 2.83Å; Q24-I27 PolarHBondContact O-N 3.12Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.83Å; I27-Y30 PolarHBondContact O-N 3.03Å; I27-V31 HydrophobicContact CG2-CG2 4.47Å; I27-V31 WeakPolarHBondContact O-CB 3.35Å; I27-V31 VanDerWaalsContact O-CG2 3.27Å; I27-V31 WeakPolarHBondContact O-CG2 2.93Å; I27-V31 PolarHBondContact O-N 3.03Å |
| 28 | Q | 65.7 | Low | 61.3 | Low | 122 Ų | 122 | 114.8 Ų | 114.8 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -39.4 | 174.4 | -77.7 | -162.8 | -9.7 | 0 | 0 | 111.9 | Q24 L25 Y30 V31 L32 | Q24-Q28 WeakPolarHBondContact O-CG 3.3Å; Q24-Q28 PolarHBondContact O-N 3.15Å; L25-Q28 PolarHBondContact O-N 3.31Å; Q28-Y30 VanDerWaalsContact C-N 3.35Å; Q28-V31 PolarHBondContact O-N 3.02Å; Q28-L32 VanDerWaalsContact O-CB 3.24Å; Q28-L32 WeakPolarHBondContact O-CB 3.34Å; Q28-L32 PolarHBondContact O-N 3.11Å |
| 29 | L | 60.8 | Low | 59.3 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 56% | 0.56 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.1 | -41.2 | 174.9 | -138.1 | 93.5 | 0 | 0 | 0 | 110.6 | L25 Y26 I27 L32 V33 | L25-L29 WeakPolarHBondContact O-CB 2.88Å; L25-L29 PolarHBondContact O-N 2.76Å; Y26-L29 PolarHBondContact O-N 2.98Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.83Å; L29-L32 CarbonylContact O-C 3.36Å; L29-L32 PolarHBondContact O-N 3.3Å; L29-V33 WeakPolarHBondContact O-CB 3.19Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.06Å |
| 30 | Y | 64.9 | Low | 56.8 | Low | 141 Ų | 141 | 118.6 Ų | 118.6 | 55% | 0.553 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 177.4 | -157 | -90.3 | 0 | 0 | 0 | 111.1 | Y26 I27 Q28 L32 V33 F34 | Y26-Y30 WeakPolarHBondContact O-CB 3.16Å; Y26-Y30 PolarHBondContact O-N 2.77Å; I27-Y30 PolarHBondContact O-N 3.03Å; Q28-Y30 VanDerWaalsContact C-N 3.35Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 2.92Å; Y30-V33 PolarHBondContact O-N 3.23Å; Y30-F34 AromaticContact CD1-CD2 3.58Å; Y30-F34 HydrophobicContact CD1-CD2 3.58Å; Y30-F34 HydrophobicContact CD1-CE2 4.07Å; Y30-F34 HydrophobicContact CD1-CG 4.49Å; Y30-F34 HydrophobicContact CD2-CD2 4.1Å; Y30-F34 AromaticContact CD2-CE2 3.88Å; Y30-F34 HydrophobicContact CD2-CE2 3.88Å; Y30-F34 AromaticContact CE1-CD2 3.41Å; Y30-F34 HydrophobicContact CE1-CD2 3.41Å; Y30-F34 VanDerWaalsContact CE1-CD2 3.41Å; Y30-F34 AromaticContact CE1-CE2 3.61Å; Y30-F34 HydrophobicContact CE1-CE2 3.61Å; Y30-F34 HydrophobicContact CE1-CG 4.21Å; Y30-F34 AromaticContact CE2-CD2 3.97Å; Y30-F34 HydrophobicContact CE2-CD2 3.97Å; Y30-F34 AromaticContact CE2-CE2 3.41Å; Y30-F34 HydrophobicContact CE2-CE2 3.41Å; Y30-F34 VanDerWaalsContact CE2-CE2 3.41Å; Y30-F34 HydrophobicContact CE2-CZ 4.34Å; Y30-F34 AromaticContact CG-CD2 3.93Å; Y30-F34 HydrophobicContact CG-CD2 3.93Å; Y30-F34 HydrophobicContact CG-CE2 4.19Å; Y30-F34 AromaticContact CZ-CD2 3.61Å; Y30-F34 AromaticContact CZ-CE2 3.25Å; Y30-F34 WeakPolarHBondContact O-CB 3.12Å; Y30-F34 VanDerWaalsContact O-CD2 3.31Å; Y30-F34 WeakPolarHBondContact O-CD2 3.35Å; Y30-F34 PolarHBondContact O-N 2.84Å |
| 31 | V | 52.2 | Low | 54.5 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 61% | 0.606 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.2 | -31.4 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | I27 Q28 K35 | I27-V31 HydrophobicContact CG2-CG2 4.47Å; I27-V31 WeakPolarHBondContact O-CB 3.35Å; I27-V31 VanDerWaalsContact O-CG2 3.27Å; I27-V31 WeakPolarHBondContact O-CG2 2.93Å; I27-V31 PolarHBondContact O-N 3.03Å; Q28-V31 PolarHBondContact O-N 3.02Å; V31-K35 PolarHBondContact O-N 3.49Å |
| 32 | L | 51.6 | Low | 52.4 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 48% | 0.482 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.6 | -34.6 | 172.6 | -93 | 150.4 | 0 | 0 | 0 | 113.1 | Q28 L29 Y30 K35 | Q28-L32 VanDerWaalsContact O-CB 3.24Å; Q28-L32 WeakPolarHBondContact O-CB 3.34Å; Q28-L32 PolarHBondContact O-N 3.11Å; L29-L32 CarbonylContact O-C 3.36Å; L29-L32 PolarHBondContact O-N 3.3Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 2.92Å; L32-K35 HydrophobicContact CD2-CD 4.01Å; L32-K35 VanDerWaalsContact CD2-NZ 3.29Å; L32-K35 VanDerWaalsContact O-CB 3.29Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 WeakPolarHBondContact O-CD 3.1Å; L32-K35 WeakPolarHBondContact O-CG 3.36Å |
| 33 | V | 51 | Low | 49.7 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 60% | 0.6 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.5 | -33.8 | 179.5 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L29 Y30 K35 | L29-V33 WeakPolarHBondContact O-CB 3.19Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.06Å; Y30-V33 PolarHBondContact O-N 3.23Å; V33-K35 VanDerWaalsContact C-N 3.28Å |
| 34 | F | 43.4 | Very low | 47.5 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 22.8 | 173.5 | -69.9 | -81.6 | 0 | 0 | 0 | 112.8 | Y30 S36 | Y30-F34 AromaticContact CD1-CD2 3.58Å; Y30-F34 HydrophobicContact CD1-CD2 3.58Å; Y30-F34 HydrophobicContact CD1-CE2 4.07Å; Y30-F34 HydrophobicContact CD1-CG 4.49Å; Y30-F34 HydrophobicContact CD2-CD2 4.1Å; Y30-F34 AromaticContact CD2-CE2 3.88Å; Y30-F34 HydrophobicContact CD2-CE2 3.88Å; Y30-F34 AromaticContact CE1-CD2 3.41Å; Y30-F34 HydrophobicContact CE1-CD2 3.41Å; Y30-F34 VanDerWaalsContact CE1-CD2 3.41Å; Y30-F34 AromaticContact CE1-CE2 3.61Å; Y30-F34 HydrophobicContact CE1-CE2 3.61Å; Y30-F34 HydrophobicContact CE1-CG 4.21Å; Y30-F34 AromaticContact CE2-CD2 3.97Å; Y30-F34 HydrophobicContact CE2-CD2 3.97Å; Y30-F34 AromaticContact CE2-CE2 3.41Å; Y30-F34 HydrophobicContact CE2-CE2 3.41Å; Y30-F34 VanDerWaalsContact CE2-CE2 3.41Å; Y30-F34 HydrophobicContact CE2-CZ 4.34Å; Y30-F34 AromaticContact CG-CD2 3.93Å; Y30-F34 HydrophobicContact CG-CD2 3.93Å; Y30-F34 HydrophobicContact CG-CE2 4.19Å; Y30-F34 AromaticContact CZ-CD2 3.61Å; Y30-F34 AromaticContact CZ-CE2 3.25Å; Y30-F34 WeakPolarHBondContact O-CB 3.12Å; Y30-F34 VanDerWaalsContact O-CD2 3.31Å; Y30-F34 WeakPolarHBondContact O-CD2 3.35Å; Y30-F34 PolarHBondContact O-N 2.84Å; F34-S36 PolarHBondContact O-N 3.49Å; F34-S36 VanDerWaalsContact O-N 3.13Å |
| 35 | K | 34.7 | Very low | 45.4 | Very low | 139 Ų | 139 | 122 Ų | 122 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | trans | -44.5 | 118.8 | 171 | -105.8 | 178.3 | 172.2 | 175.4 | 0 | 111.6 | V31 L32 V33 | V31-K35 PolarHBondContact O-N 3.49Å; L32-K35 HydrophobicContact CD2-CD 4.01Å; L32-K35 VanDerWaalsContact CD2-NZ 3.29Å; L32-K35 VanDerWaalsContact O-CB 3.29Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 WeakPolarHBondContact O-CD 3.1Å; L32-K35 WeakPolarHBondContact O-CG 3.36Å; V33-K35 VanDerWaalsContact C-N 3.28Å | ||
| 36 | S | 31.7 | Very low | 43.1 | Very low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | trans | 50.6 | 107.4 | 140.5 | 67.7 | 0 | 0 | 0 | 0 | 117.1 | F34 F38 | F34-S36 PolarHBondContact O-N 3.49Å; F34-S36 VanDerWaalsContact O-N 3.13Å; S36-F38 PolarHBondContact O-N 3.25Å | ||
| 37 | P | 37.3 | Very low | 41 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 66% | 0.659 | S | S | * | * | trans | -78.1 | 90.4 | 169.9 | 33.4 | -29 | 0 | 0 | 0 | 108.8 | ||||
| 38 | F | 30.4 | Very low | 39.2 | Very low | 202 Ų | 202 | 126 Ų | 126 | 89% | 0.886 | 66% | 0.661 | S | S | * | * | trans | -139.8 | 40.5 | 157.8 | -85.5 | -77.3 | 0 | 0 | 0 | 109.5 | S36 | S36-F38 PolarHBondContact O-N 3.25Š| ||
| 39 | L | 29.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -82.2 | 107.8 | 147.6 | -85.8 | 144.4 | 0 | 0 | 0 | 104.2 | T41 | L39-T41 PolarHBondContact O-N 3.43Š|
| 40 | S | 27.9 | Very low | 36.8 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | trans | -52.8 | 95.8 | 163.1 | 51.4 | 0 | 0 | 0 | 0 | 107 | V42 | S40-V42 PolarHBondContact O-N 3.44Š| ||
| 41 | T | 26.2 | Very low | 35.7 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | -57.6 | 111.8 | 173.2 | 43.4 | 0 | 0 | 0 | 0 | 105.8 | L39 E43 | L39-T41 PolarHBondContact O-N 3.43Å; T41-E43 PolarHBondContact O-N 3.36Å | ||
| 42 | V | 33.3 | Very low | 35.6 | Very low | 63 Ų | 63 | 133.5 Ų | 133.5 | 38% | 0.382 | 69% | 0.693 | S | S | . | * | trans | -56.4 | 109 | 163.5 | -173.5 | 0 | 0 | 0 | 0 | 104.8 | S40 I44 | S40-V42 PolarHBondContact O-N 3.44Å; V42-I44 VanDerWaalsContact C-N 3.34Å; V42-I44 PolarHBondContact O-N 3.17Å | ||
| 43 | E | 25.6 | Very low | 35.9 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | -61 | 104.1 | 169.7 | -84.1 | -173 | 153.2 | 0 | 0 | 106.8 | T41 P45 | T41-E43 PolarHBondContact O-N 3.36Å; E43-P45 VanDerWaalsContact O-CD 3.3Å; E43-P45 WeakPolarHBondContact O-CD 3.47Å | ||
| 44 | I | 31.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 64% | 0.641 | 68% | 0.675 | S | S | * | * | trans | -71.1 | 119.3 | 176.5 | -60.5 | 168.8 | 0 | 0 | 0 | 106.3 | V42 S46 | V42-I44 VanDerWaalsContact C-N 3.34Å; V42-I44 PolarHBondContact O-N 3.17Å; I44-S46 PolarHBondContact O-N 2.88Å | ||
| 45 | P | 30.5 | Very low | 37.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -62 | 111.3 | 173.7 | -19.3 | 31.9 | 0 | 0 | 0 | 109 | E43 R47 | E43-P45 VanDerWaalsContact O-CD 3.3Å; E43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-R47 PolarHBondContact O-N 3.24Å | ||
| 46 | S | 28.7 | Very low | 39.7 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | trans | -70.9 | 73.7 | -179.8 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | I44 | I44-S46 PolarHBondContact O-N 2.88Š| ||
| 47 | R | 31.9 | Very low | 42 | Very low | 228 Ų | 228 | 127.3 Ų | 127.3 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -140 | 62.4 | 176 | -76.9 | -168.3 | 179.5 | -175.9 | 1.7 | 113.7 | P45 | P45-R47 PolarHBondContact O-N 3.24Š| ||
| 48 | L | 33.4 | Very low | 44.1 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 56% | 0.555 | 63% | 0.633 | S | S | * | * | trans | -140.6 | 106.6 | 160.2 | -71.7 | 174.2 | 0 | 0 | 0 | 111.2 | ||||
| 49 | K | 33.9 | Very low | 46.7 | Very low | 186 Ų | 186 | 122.1 Ų | 122.1 | 81% | 0.809 | 62% | 0.624 | S | S | * | * | trans | -70.5 | 133.7 | 167 | -77 | -176 | 176.5 | -179.3 | 0 | 109.2 | N51 D52 G53 | K49-N51 PolarHBondContact O-N 3.06Å; K49-N51 VanDerWaalsContact O-N 3.08Å; K49-D52 PolarHBondContact O-N 2.97Å; K49-G53 PolarHBondContact O-N 3.49Å | ||
| 50 | K | 42.3 | Very low | 49.4 | Very low | 195 Ų | 195 | 115.1 Ų | 115.1 | 85% | 0.848 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -49.3 | -34.1 | -163.1 | -93.7 | 177.6 | 171.9 | 177.3 | 0 | 117.8 | ||
| 51 | N | 41.6 | Very low | 52.2 | Low | 150 Ų | 150 | 112.2 Ų | 112.2 | 80% | 0.802 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -97.6 | -23.6 | -175.8 | -75.4 | -0.8 | 0 | 0 | 0 | 114.8 | K49 | K49-N51 PolarHBondContact O-N 3.06Å; K49-N51 VanDerWaalsContact O-N 3.08Å |
| 52 | D | 51 | Low | 55 | Low | 96 Ų | 96 | 116.5 Ų | 116.5 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -83.6 | -20.8 | 175.8 | -159.8 | 38.1 | 0 | 0 | 0 | 111.5 | K49 K56 | K49-D52 PolarHBondContact O-N 2.97Å; D52-K56 PolarHBondContact O-N 3.37Å; D52-K56 IonicContact OD2-NZ 2.67Å; D52-K56 PolarHBondContact OD2-NZ 3.36Å |
| 53 | G | 57.3 | Low | 57.5 | Low | 6 Ų | 6 | 118.2 Ų | 118.2 | 6% | 0.062 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -67.1 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K49 N55 K56 I57 | K49-G53 PolarHBondContact O-N 3.49Å; G53-N55 VanDerWaalsContact C-N 3.34Å; G53-N55 PolarHBondContact O-N 3.05Å; G53-K56 PolarHBondContact O-N 3.49Å; G53-I57 VanDerWaalsContact O-CG1 3.27Å; G53-I57 WeakPolarHBondContact O-CG1 3.45Å; G53-I57 PolarHBondContact O-N 2.84Å |
| 54 | Q | 63.5 | Low | 60.5 | Low | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | -175.4 | -151.1 | 84.9 | 12.8 | 0 | 0 | 111.9 | T58 | Q54-T58 WeakPolarHBondContact O-CB 3.33Å; Q54-T58 PolarHBondContact O-N 3.13Å; Q54-T58 PolarHBondContact O-OG1 3.22Å |
| 55 | N | 72.2 | Confident | 63.3 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 177 | -86.2 | -12.8 | 0 | 0 | 0 | 111.9 | G53 T58 K59 | G53-N55 VanDerWaalsContact C-N 3.34Å; G53-N55 PolarHBondContact O-N 3.05Å; N55-T58 PolarHBondContact O-N 3.21Å; N55-K59 WeakPolarHBondContact O-CB 3.47Å; N55-K59 PolarHBondContact O-N 3.37Å |
| 56 | K | 73.3 | Confident | 66.1 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176 | -77.1 | -179.5 | -179.1 | 169.9 | 0 | 112.5 | D52 G53 K59 C60 | D52-K56 PolarHBondContact O-N 3.37Å; D52-K56 IonicContact OD2-NZ 2.67Å; D52-K56 PolarHBondContact OD2-NZ 3.36Å; G53-K56 PolarHBondContact O-N 3.49Å; K56-K59 PolarHBondContact O-N 2.86Å; K56-C60 WeakPolarHBondContact O-CB 3.33Å; K56-C60 PolarHBondContact O-N 3.18Å |
| 57 | I | 80.2 | Confident | 69.1 | Low | 35 Ų | 35 | 103.7 Ų | 103.7 | 18% | 0.179 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63 | -48.1 | 177.5 | -66 | 165.6 | 0 | 0 | 0 | 110.3 | G53 K59 C60 F61 I84 | G53-I57 VanDerWaalsContact O-CG1 3.27Å; G53-I57 WeakPolarHBondContact O-CG1 3.45Å; G53-I57 PolarHBondContact O-N 2.84Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.12Å; I57-C60 WeakPolarHBondContact O-CB 3.45Å; I57-C60 PolarHBondContact O-N 3.34Å; I57-C60 VanDerWaalsContact O-N 3.14Å; I57-F61 HydrophobicContact CG2-CD2 3.87Å; I57-F61 HydrophobicContact CG2-CE1 4.11Å; I57-F61 HydrophobicContact CG2-CE2 3.36Å; I57-F61 HydrophobicContact CG2-CG 4.46Å; I57-F61 HydrophobicContact CG2-CZ 3.5Å; I57-F61 WeakPolarHBondContact O-CG 3.35Å; I57-F61 PolarHBondContact O-N 3.37Å; I57-I84 HydrophobicContact CD1-CD1 4.19Å; I57-I84 HydrophobicContact CD1-CG2 4.39Å; I57-I84 HydrophobicContact CG1-CD1 4.33Å; I57-I84 HydrophobicContact CG1-CG2 3.85Å; I57-I84 HydrophobicContact CG2-CD1 4.04Å; I57-I84 HydrophobicContact CG2-CG1 4.47Å |
| 58 | T | 82.4 | Confident | 72 | Confident | 57 Ų | 57 | 98.3 Ų | 98.3 | 35% | 0.35 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.3 | -53 | 0 | 0 | 0 | 0 | 111.5 | Q54 N55 R62 | Q54-T58 WeakPolarHBondContact O-CB 3.33Å; Q54-T58 PolarHBondContact O-N 3.13Å; Q54-T58 PolarHBondContact O-OG1 3.22Å; N55-T58 PolarHBondContact O-N 3.21Å; T58-R62 WeakPolarHBondContact O-CG 3.43Å; T58-R62 PolarHBondContact O-N 3.21Å |
| 59 | K | 84.5 | Confident | 74.7 | Confident | 159 Ų | 159 | 95.2 Ų | 95.2 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175.1 | -171.4 | 179.1 | -179.5 | -179.3 | 0 | 111.5 | N55 K56 I57 R62 S63 | N55-K59 WeakPolarHBondContact O-CB 3.47Å; N55-K59 PolarHBondContact O-N 3.37Å; K56-K59 PolarHBondContact O-N 2.86Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.12Å; K59-R62 PolarHBondContact O-N 3.28Å; K59-S63 PolarHBondContact O-N 2.71Å; K59-S63 PolarHBondContact O-OG 2.66Å |
| 60 | C | 85.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 86.4 Ų | 86.4 | 7% | 0.068 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 176.9 | 170 | 0 | 0 | 0 | 0 | 112.4 | K56 I57 R62 S63 N64 C88 | K56-C60 WeakPolarHBondContact O-CB 3.33Å; K56-C60 PolarHBondContact O-N 3.18Å; I57-C60 WeakPolarHBondContact O-CB 3.45Å; I57-C60 PolarHBondContact O-N 3.34Å; I57-C60 VanDerWaalsContact O-N 3.14Å; C60-R62 PolarHBondContact O-N 3.33Å; C60-S63 WeakPolarHBondContact CA-OG 3.44Å; C60-S63 CarbonylContact O-C 3.6Å; C60-S63 PolarHBondContact O-N 3.44Å; C60-S63 PolarHBondContact O-OG 3.23Å; C60-N64 PolarHBondContact O-N 3.19Å; C60-C88 HydrophobicContact CB-CB 3.5Å; C60-C88 WeakPolarHBondContact CB-SG 3.48Å; C60-C88 WeakPolarHBondContact SG-CA 3.38Å; C60-C88 WeakPolarHBondContact SG-CB 3.48Å; C60-C88 CovalentContact SG-SG 2.01Å; C60-C88 PolarHBondContact SG-SG 2.75Å |
| 61 | F | 87.2 | Confident | 79.9 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -31.4 | -179.9 | -66.5 | -18.5 | 0 | 0 | 0 | 112.6 | I57 V67 W68 Y71 I84 | I57-F61 HydrophobicContact CG2-CD2 3.87Å; I57-F61 HydrophobicContact CG2-CE1 4.11Å; I57-F61 HydrophobicContact CG2-CE2 3.36Å; I57-F61 HydrophobicContact CG2-CG 4.46Å; I57-F61 HydrophobicContact CG2-CZ 3.5Å; I57-F61 WeakPolarHBondContact O-CG 3.35Å; I57-F61 PolarHBondContact O-N 3.37Å; F61-V67 HydrophobicContact CD1-CG1 4.01Å; F61-V67 HydrophobicContact CE1-CG1 3.75Å; F61-W68 HydrophobicContact CB-CB 4.28Å; F61-W68 HydrophobicContact CB-CD2 4.23Å; F61-W68 HydrophobicContact CB-CE3 3.73Å; F61-W68 HydrophobicContact CB-CZ3 4.45Å; F61-W68 HydrophobicContact CD1-CE3 4.16Å; F61-W68 AromaticContact CD2-CE3 3.34Å; F61-W68 HydrophobicContact CD2-CE3 3.34Å; F61-W68 AromaticContact CD2-CZ3 3.44Å; F61-W68 HydrophobicContact CD2-CZ3 3.44Å; F61-W68 VanDerWaalsContact CD2-CZ3 3.44Å; F61-W68 AromaticContact CE2-CE3 3.86Å; F61-W68 HydrophobicContact CE2-CE3 3.86Å; F61-W68 AromaticContact CE2-CZ3 3.79Å; F61-W68 HydrophobicContact CE2-CZ3 3.79Å; F61-W68 HydrophobicContact CG-CD2 4.4Å; F61-W68 AromaticContact CG-CE3 3.5Å; F61-W68 HydrophobicContact CG-CE3 3.5Å; F61-W68 HydrophobicContact CG-CZ3 4.1Å; F61-W68 HydrophobicContact CZ-CE3 4.47Å; F61-Y71 HydrophobicContact CE1-CD2 4.22Å; F61-Y71 HydrophobicContact CE1-CG 4.26Å; F61-Y71 HydrophobicContact CE2-CD1 4.23Å; F61-Y71 HydrophobicContact CE2-CD2 4.36Å; F61-Y71 HydrophobicContact CE2-CE1 4.3Å; F61-Y71 HydrophobicContact CE2-CE2 4.41Å; F61-Y71 HydrophobicContact CE2-CG 4.28Å; F61-Y71 HydrophobicContact CZ-CD1 4.09Å; F61-Y71 AromaticContact CZ-CD2 3.53Å; F61-Y71 HydrophobicContact CZ-CD2 3.53Å; F61-Y71 HydrophobicContact CZ-CE1 4.37Å; F61-Y71 AromaticContact CZ-CE2 3.83Å; F61-Y71 HydrophobicContact CZ-CE2 3.83Å; F61-Y71 AromaticContact CZ-CG 3.67Å; F61-Y71 HydrophobicContact CZ-CG 3.67Å; F61-I84 HydrophobicContact CE1-CG1 3.93Å; F61-I84 HydrophobicContact CZ-CD1 3.98Å; F61-I84 HydrophobicContact CZ-CG1 3.86Å |
| 62 | R | 85 | Confident | 82.3 | Confident | 211 Ų | 211 | 76.7 Ų | 76.7 | 80% | 0.796 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.7 | -35.2 | 172.8 | -71.9 | 176.8 | -177.3 | -177.7 | 2.1 | 112.8 | T58 K59 C60 | T58-R62 WeakPolarHBondContact O-CG 3.43Å; T58-R62 PolarHBondContact O-N 3.21Å; K59-R62 PolarHBondContact O-N 3.28Å; C60-R62 PolarHBondContact O-N 3.33Å |
| 63 | S | 85 | Confident | 84.2 | Confident | 99 Ų | 99 | 75.7 Ų | 75.7 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -88.7 | -28.5 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | K59 C60 | K59-S63 PolarHBondContact O-N 2.71Å; K59-S63 PolarHBondContact O-OG 2.66Å; C60-S63 WeakPolarHBondContact CA-OG 3.44Å; C60-S63 CarbonylContact O-C 3.6Å; C60-S63 PolarHBondContact O-N 3.44Å; C60-S63 PolarHBondContact O-OG 3.23Å |
| 64 | N | 88.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -122.6 | 90.9 | -176.3 | -171.1 | -18.7 | 0 | 0 | 0 | 110.3 | C60 Y66 V67 W68 G87 L385 | C60-N64 PolarHBondContact O-N 3.19Å; N64-Y66 PolarHBondContact O-N 3.39Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.27Å; N64-Y66 PolarHBondContact OD1-N 2.71Å; N64-Y66 VanDerWaalsContact OD1-N 3.1Å; N64-V67 HydrophobicContact CB-CB 4.4Å; N64-V67 HydrophobicContact CB-CG2 4.24Å; N64-V67 VanDerWaalsContact ND2-CG2 3.3Å; N64-V67 WeakPolarHBondContact ND2-CG2 2.89Å; N64-V67 PolarHBondContact O-N 2.76Å; N64-V67 PolarHBondContact OD1-N 3.01Å; N64-W68 PolarHBondContact O-N 3.43Å; N64-G87 PolarHBondContact ND2-O 3.01Å; N64-L385 PolarHBondContact ND2-O 3.32Å; N64-L385 PolarHBondContact OD1-O 3.06Å | ||
| 65 | K | 90.1 | Very high | 87.3 | Confident | 140 Ų | 140 | 78.3 Ų | 78.3 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.6 | -26 | 178.7 | 69 | -178.6 | -178.2 | -177.5 | 0 | 113.5 | S69 | K65-S69 WeakPolarHBondContact O-CB 3.36Å; K65-S69 PolarHBondContact O-N 3.12Å |
| 66 | Y | 91 | Very high | 88.3 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.6 | -45.5 | -177.9 | -57.7 | -79.8 | 0 | 0 | 0 | 110.8 | N64 W68 S69 A70 H384 | N64-Y66 PolarHBondContact O-N 3.39Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.27Å; N64-Y66 PolarHBondContact OD1-N 2.71Å; N64-Y66 VanDerWaalsContact OD1-N 3.1Å; Y66-W68 VanDerWaalsContact C-N 3.3Å; Y66-W68 PolarHBondContact O-N 2.87Å; Y66-S69 WeakPolarHBondContact O-CB 3.26Å; Y66-S69 PolarHBondContact O-N 3.21Å; Y66-A70 WeakPolarHBondContact O-CB 3.22Å; Y66-A70 PolarHBondContact O-N 2.89Å; Y66-H384 AromaticContact CD1-CE1 3.36Å; Y66-H384 WeakPolarHBondContact CD1-CE1 3.22Å; Y66-H384 AromaticContact CD1-ND1 3.17Å; Y66-H384 WeakPolarHBondContact CD1-ND1 2.98Å; Y66-H384 AromaticContact CE1-CE1 3.3Å; Y66-H384 WeakPolarHBondContact CE1-CE1 3.23Å; Y66-H384 AromaticContact CE1-ND1 3.44Å; Y66-H384 WeakPolarHBondContact CE1-ND1 3.17Å; Y66-H384 AromaticContact CG-CE1 3.89Å; Y66-H384 AromaticContact CG-ND1 3.91Å; Y66-H384 AromaticContact CZ-CE1 3.76Å |
| 67 | V | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | F61 N64 S69 A70 Y71 F83 L385 | F61-V67 HydrophobicContact CD1-CG1 4.01Å; F61-V67 HydrophobicContact CE1-CG1 3.75Å; N64-V67 HydrophobicContact CB-CB 4.4Å; N64-V67 HydrophobicContact CB-CG2 4.24Å; N64-V67 VanDerWaalsContact ND2-CG2 3.3Å; N64-V67 WeakPolarHBondContact ND2-CG2 2.89Å; N64-V67 PolarHBondContact O-N 2.76Å; N64-V67 PolarHBondContact OD1-N 3.01Å; V67-S69 PolarHBondContact O-N 2.91Å; V67-A70 PolarHBondContact O-N 2.88Å; V67-Y71 WeakPolarHBondContact O-CB 3.28Å; V67-Y71 PolarHBondContact O-N 3.05Å; V67-F83 HydrophobicContact CG1-CB 4.5Å; V67-L385 HydrophobicContact CG2-CB 4.36Å; V67-L385 WeakPolarHBondContact CG2-O 3.47Å |
| 68 | W | 91 | Very high | 89.9 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.8 | 179.1 | -116.4 | 0 | 0 | 0 | 112.6 | F61 N64 Y66 Y71 N72 | F61-W68 HydrophobicContact CB-CB 4.28Å; F61-W68 HydrophobicContact CB-CD2 4.23Å; F61-W68 HydrophobicContact CB-CE3 3.73Å; F61-W68 HydrophobicContact CB-CZ3 4.45Å; F61-W68 HydrophobicContact CD1-CE3 4.16Å; F61-W68 AromaticContact CD2-CE3 3.34Å; F61-W68 HydrophobicContact CD2-CE3 3.34Å; F61-W68 AromaticContact CD2-CZ3 3.44Å; F61-W68 HydrophobicContact CD2-CZ3 3.44Å; F61-W68 VanDerWaalsContact CD2-CZ3 3.44Å; F61-W68 AromaticContact CE2-CE3 3.86Å; F61-W68 HydrophobicContact CE2-CE3 3.86Å; F61-W68 AromaticContact CE2-CZ3 3.79Å; F61-W68 HydrophobicContact CE2-CZ3 3.79Å; F61-W68 HydrophobicContact CG-CD2 4.4Å; F61-W68 AromaticContact CG-CE3 3.5Å; F61-W68 HydrophobicContact CG-CE3 3.5Å; F61-W68 HydrophobicContact CG-CZ3 4.1Å; F61-W68 HydrophobicContact CZ-CE3 4.47Å; N64-W68 PolarHBondContact O-N 3.43Å; Y66-W68 VanDerWaalsContact C-N 3.3Å; Y66-W68 PolarHBondContact O-N 2.87Å; W68-Y71 HydrophobicContact CE3-CD1 4.44Å; W68-Y71 HydrophobicContact CZ3-CD1 4.21Å; W68-N72 VanDerWaalsContact CD2-ND2 3.29Å; W68-N72 WeakPolarHBondContact CZ2-ND2 3.49Å; W68-N72 PolarHBondContact NE1-ND2 3.42Å; W68-N72 PolarHBondContact O-N 3.02Å; W68-N72 VanDerWaalsContact O-N 3.07Å; W68-N72 PolarHBondContact O-ND2 3.07Å |
| 69 | S | 91.4 | Very high | 90.5 | Very high | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | K65 Y66 V67 Y71 N72 R73 | K65-S69 WeakPolarHBondContact O-CB 3.36Å; K65-S69 PolarHBondContact O-N 3.12Å; Y66-S69 WeakPolarHBondContact O-CB 3.26Å; Y66-S69 PolarHBondContact O-N 3.21Å; V67-S69 PolarHBondContact O-N 2.91Å; S69-Y71 PolarHBondContact O-N 3.5Å; S69-N72 PolarHBondContact O-N 2.97Å; S69-R73 WeakPolarHBondContact O-CB 3.24Å; S69-R73 WeakPolarHBondContact O-CG 3.39Å; S69-R73 PolarHBondContact O-N 2.94Å; S69-R73 PolarHBondContact OG-NE 2.88Å; S69-R73 VanDerWaalsContact OG-NE 3.17Å |
| 70 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y66 V67 N72 R73 T74 F83 W383 L385 | Y66-A70 WeakPolarHBondContact O-CB 3.22Å; Y66-A70 PolarHBondContact O-N 2.89Å; V67-A70 PolarHBondContact O-N 2.88Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.08Å; A70-R73 PolarHBondContact O-N 3.32Å; A70-T74 WeakPolarHBondContact O-CG2 3.36Å; A70-T74 PolarHBondContact O-N 2.64Å; A70-F83 HydrophobicContact CB-CD2 3.77Å; A70-F83 HydrophobicContact CB-CE2 3.82Å; A70-F83 HydrophobicContact CB-CG 4.39Å; A70-W383 HydrophobicContact CB-CE3 3.81Å; A70-W383 HydrophobicContact CB-CZ3 4.41Å; A70-L385 HydrophobicContact CB-CD2 3.75Å |
| 71 | Y | 92.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 177.6 | -176.3 | -86.8 | 0 | 0 | 0 | 112.7 | F61 V67 W68 S69 K80 I84 | F61-Y71 HydrophobicContact CE1-CD2 4.22Å; F61-Y71 HydrophobicContact CE1-CG 4.26Å; F61-Y71 HydrophobicContact CE2-CD1 4.23Å; F61-Y71 HydrophobicContact CE2-CD2 4.36Å; F61-Y71 HydrophobicContact CE2-CE1 4.3Å; F61-Y71 HydrophobicContact CE2-CE2 4.41Å; F61-Y71 HydrophobicContact CE2-CG 4.28Å; F61-Y71 HydrophobicContact CZ-CD1 4.09Å; F61-Y71 AromaticContact CZ-CD2 3.53Å; F61-Y71 HydrophobicContact CZ-CD2 3.53Å; F61-Y71 HydrophobicContact CZ-CE1 4.37Å; F61-Y71 AromaticContact CZ-CE2 3.83Å; F61-Y71 HydrophobicContact CZ-CE2 3.83Å; F61-Y71 AromaticContact CZ-CG 3.67Å; F61-Y71 HydrophobicContact CZ-CG 3.67Å; V67-Y71 WeakPolarHBondContact O-CB 3.28Å; V67-Y71 PolarHBondContact O-N 3.05Å; W68-Y71 HydrophobicContact CE3-CD1 4.44Å; W68-Y71 HydrophobicContact CZ3-CD1 4.21Å; S69-Y71 PolarHBondContact O-N 3.5Å; Y71-K80 HydrophobicContact CD2-CB 3.73Å; Y71-K80 HydrophobicContact CD2-CD 4.13Å; Y71-K80 HydrophobicContact CD2-CG 3.67Å; Y71-K80 HydrophobicContact CE1-CD 4.31Å; Y71-K80 HydrophobicContact CE2-CB 3.57Å; Y71-K80 HydrophobicContact CE2-CD 3.72Å; Y71-K80 HydrophobicContact CE2-CG 3.69Å; Y71-K80 HydrophobicContact CG-CG 4.24Å; Y71-K80 WeakPolarHBondContact O-CE 3.31Å; Y71-I84 HydrophobicContact CD2-CD1 4.2Å; Y71-I84 HydrophobicContact CD2-CG1 4.35Å; Y71-I84 HydrophobicContact CE2-CD1 3.86Å; Y71-I84 HydrophobicContact CE2-CG1 4.5Å |
| 72 | N | 91.5 | Very high | 91.3 | Very high | 87 Ų | 87 | 70.1 Ų | 70.1 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -81.3 | -30.5 | 179.5 | -73.9 | -35.2 | 0 | 0 | 0 | 113.9 | W68 S69 A70 | W68-N72 VanDerWaalsContact CD2-ND2 3.29Å; W68-N72 WeakPolarHBondContact CZ2-ND2 3.49Å; W68-N72 PolarHBondContact NE1-ND2 3.42Å; W68-N72 PolarHBondContact O-N 3.02Å; W68-N72 VanDerWaalsContact O-N 3.07Å; W68-N72 PolarHBondContact O-ND2 3.07Å; S69-N72 PolarHBondContact O-N 2.97Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.08Å |
| 73 | R | 92.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -80.7 | -23.1 | 179.6 | -74.2 | -169.6 | -62.2 | 138.2 | 4.8 | 113.3 | S69 A70 W383 M475 D477 | S69-R73 WeakPolarHBondContact O-CB 3.24Å; S69-R73 WeakPolarHBondContact O-CG 3.39Å; S69-R73 PolarHBondContact O-N 2.94Å; S69-R73 PolarHBondContact OG-NE 2.88Å; S69-R73 VanDerWaalsContact OG-NE 3.17Å; A70-R73 PolarHBondContact O-N 3.32Å; R73-W383 HydrophobicContact CB-CH2 4.17Å; R73-W383 HydrophobicContact CB-CZ3 3.87Å; R73-M475 PolarHBondContact NH1-O 2.85Å; R73-D477 IonicContact CZ-OD1 2.7Å; R73-D477 IonicContact CZ-OD2 3.58Å; R73-D477 VanDerWaalsContact CZ-OD2 3.25Å; R73-D477 IonicContact NH1-OD2 3.3Å; R73-D477 PolarHBondContact NH1-OD2 3.42Å; R73-D477 IonicContact NH2-OD1 3.41Å; R73-D477 PolarHBondContact NH2-OD1 2.85Å; R73-D477 IonicContact NH2-OD2 2.89Å; R73-D477 PolarHBondContact NH2-OD2 2.95Å |
| 74 | T | 92.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | trans | -82.5 | 139.8 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | A70 S76 C79 K80 F83 | A70-T74 WeakPolarHBondContact O-CG2 3.36Å; A70-T74 PolarHBondContact O-N 2.64Å; T74-S76 PolarHBondContact OG1-N 3.18Å; T74-C79 HydrophobicContact CG2-CB 4.43Å; T74-K80 HydrophobicContact CG2-CD 4.44Å; T74-K80 HydrophobicContact CG2-CG 3.49Å; T74-K80 VanDerWaalsContact CG2-CG 3.49Å; T74-F83 HydrophobicContact CG2-CD2 4.13Å; T74-F83 HydrophobicContact CG2-CE2 3.55Å; T74-F83 HydrophobicContact CG2-CZ 4.48Å | ||
| 75 | H | 92 | Very high | 91.7 | Very high | 190 Ų | 190 | 56.6 Ų | 56.6 | 88% | 0.88 | 28% | 0.281 | S | S | * | . | trans | -89.4 | -6.5 | 170.4 | -64 | -61.7 | 0 | 0 | 0 | 113 | ||||
| 76 | S | 94.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | trans | -97.4 | 119.9 | -170.4 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | T74 S78 C79 K80 D379 | T74-S76 PolarHBondContact OG1-N 3.18Å; S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 2.75Å; S76-S78 PolarHBondContact OG-OG 2.92Å; S76-C79 PolarHBondContact O-N 2.83Å; S76-C79 PolarHBondContact OG-N 2.85Å; S76-K80 WeakPolarHBondContact O-CG 3.35Å; S76-K80 PolarHBondContact O-N 3.46Å; S76-D379 WeakPolarHBondContact CB-OD2 3.46Å; S76-D379 PolarHBondContact OG-OD2 3.45Å | ||
| 77 | E | 93.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.5 | -32 | -179.2 | -162.7 | 55.7 | -139.3 | 0 | 0 | 111.9 | K80 Q81 | E77-K80 PolarHBondContact O-N 3.46Å; E77-K80 WeakPolarHBondContact OE2-CD 3.22Å; E77-K80 IonicContact OE2-NZ 2.85Å; E77-K80 PolarHBondContact OE2-NZ 3.02Å; E77-Q81 WeakPolarHBondContact O-CG 3.33Å; E77-Q81 PolarHBondContact O-N 2.92Å; E77-Q81 PolarHBondContact OE1-NE2 3.25Å |
| 78 | S | 93.4 | Very high | 91.2 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 173.1 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | S76 K80 Q81 V82 | S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 2.75Å; S76-S78 PolarHBondContact OG-OG 2.92Å; S78-K80 VanDerWaalsContact C-N 3.32Å; S78-K80 PolarHBondContact O-N 3.45Å; S78-Q81 PolarHBondContact O-N 3.1Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.39Å; S78-V82 VanDerWaalsContact O-N 3.16Å |
| 79 | C | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.7 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | T74 S76 Q81 V82 F83 C378 D379 | T74-C79 HydrophobicContact CG2-CB 4.43Å; S76-C79 PolarHBondContact O-N 2.83Å; S76-C79 PolarHBondContact OG-N 2.85Å; C79-Q81 VanDerWaalsContact C-N 3.31Å; C79-Q81 PolarHBondContact O-N 3.47Å; C79-V82 PolarHBondContact O-N 3.21Å; C79-V82 VanDerWaalsContact O-N 3.14Å; C79-F83 HydrophobicContact CB-CE1 4.07Å; C79-F83 HydrophobicContact CB-CE2 4.09Å; C79-F83 HydrophobicContact CB-CZ 3.71Å; C79-F83 VanDerWaalsContact O-CD1 3.22Å; C79-F83 WeakPolarHBondContact O-CD1 3.38Å; C79-F83 WeakPolarHBondContact O-CG 3.17Å; C79-F83 PolarHBondContact O-N 3.46Å; C79-C378 WeakPolarHBondContact CA-SG 3.49Å; C79-C378 HydrophobicContact CB-CB 3.97Å; C79-C378 WeakPolarHBondContact CB-SG 3.21Å; C79-C378 WeakPolarHBondContact SG-CB 3.14Å; C79-C378 CovalentContact SG-SG 2.03Å; C79-C378 PolarHBondContact SG-SG 3.16Å; C79-D379 PolarHBondContact SG-OD2 2.79Å |
| 80 | K | 93.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -44.6 | 175.4 | -76.6 | 177.5 | -174 | 171.7 | 0 | 113 | Y71 T74 S76 E77 S78 F83 I84 | Y71-K80 HydrophobicContact CD2-CB 3.73Å; Y71-K80 HydrophobicContact CD2-CD 4.13Å; Y71-K80 HydrophobicContact CD2-CG 3.67Å; Y71-K80 HydrophobicContact CE1-CD 4.31Å; Y71-K80 HydrophobicContact CE2-CB 3.57Å; Y71-K80 HydrophobicContact CE2-CD 3.72Å; Y71-K80 HydrophobicContact CE2-CG 3.69Å; Y71-K80 HydrophobicContact CG-CG 4.24Å; Y71-K80 WeakPolarHBondContact O-CE 3.31Å; T74-K80 HydrophobicContact CG2-CD 4.44Å; T74-K80 HydrophobicContact CG2-CG 3.49Å; T74-K80 VanDerWaalsContact CG2-CG 3.49Å; S76-K80 WeakPolarHBondContact O-CG 3.35Å; S76-K80 PolarHBondContact O-N 3.46Å; E77-K80 PolarHBondContact O-N 3.46Å; E77-K80 WeakPolarHBondContact OE2-CD 3.22Å; E77-K80 IonicContact OE2-NZ 2.85Å; E77-K80 PolarHBondContact OE2-NZ 3.02Å; S78-K80 VanDerWaalsContact C-N 3.32Å; S78-K80 PolarHBondContact O-N 3.45Å; K80-F83 PolarHBondContact O-N 3.42Å; K80-I84 WeakPolarHBondContact O-CG1 3.48Å; K80-I84 PolarHBondContact O-N 3.05Å; K80-I84 VanDerWaalsContact O-N 3.14Å |
| 81 | Q | 90.4 | Very high | 87.7 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178 | -62.7 | -55.5 | -43.8 | 0 | 0 | 111.4 | E77 S78 C79 I84 G85 | E77-Q81 WeakPolarHBondContact O-CG 3.33Å; E77-Q81 PolarHBondContact O-N 2.92Å; E77-Q81 PolarHBondContact OE1-NE2 3.25Å; S78-Q81 PolarHBondContact O-N 3.1Å; C79-Q81 VanDerWaalsContact C-N 3.31Å; C79-Q81 PolarHBondContact O-N 3.47Å; Q81-I84 PolarHBondContact O-N 3.14Å; Q81-G85 PolarHBondContact O-N 2.76Å |
| 82 | V | 90.7 | Very high | 85.9 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | S78 C79 I84 G85 V86 L376 | S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.39Å; S78-V82 VanDerWaalsContact O-N 3.16Å; C79-V82 PolarHBondContact O-N 3.21Å; C79-V82 VanDerWaalsContact O-N 3.14Å; V82-I84 VanDerWaalsContact C-N 3.34Å; V82-I84 PolarHBondContact O-N 2.76Å; V82-G85 PolarHBondContact O-N 2.87Å; V82-V86 HydrophobicContact CG1-CG2 3.89Å; V82-V86 WeakPolarHBondContact O-CB 3.32Å; V82-V86 WeakPolarHBondContact O-CG2 3.23Å; V82-V86 PolarHBondContact O-N 2.9Å; V82-L376 HydrophobicContact CB-CD2 4.28Å; V82-L376 HydrophobicContact CG1-CD1 4.49Å; V82-L376 HydrophobicContact CG1-CD2 3.47Å; V82-L376 VanDerWaalsContact CG1-CD2 3.47Å |
| 83 | F | 92 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.5 | -61.7 | -15 | 0 | 0 | 0 | 112.4 | V67 A70 T74 C79 K80 G87 L376 C378 W383 L385 | V67-F83 HydrophobicContact CG1-CB 4.5Å; A70-F83 HydrophobicContact CB-CD2 3.77Å; A70-F83 HydrophobicContact CB-CE2 3.82Å; A70-F83 HydrophobicContact CB-CG 4.39Å; T74-F83 HydrophobicContact CG2-CD2 4.13Å; T74-F83 HydrophobicContact CG2-CE2 3.55Å; T74-F83 HydrophobicContact CG2-CZ 4.48Å; C79-F83 HydrophobicContact CB-CE1 4.07Å; C79-F83 HydrophobicContact CB-CE2 4.09Å; C79-F83 HydrophobicContact CB-CZ 3.71Å; C79-F83 VanDerWaalsContact O-CD1 3.22Å; C79-F83 WeakPolarHBondContact O-CD1 3.38Å; C79-F83 WeakPolarHBondContact O-CG 3.17Å; C79-F83 PolarHBondContact O-N 3.46Å; K80-F83 PolarHBondContact O-N 3.42Å; F83-G87 VanDerWaalsContact O-CA 3.29Å; F83-G87 WeakPolarHBondContact O-CA 3.44Å; F83-G87 PolarHBondContact O-N 3.49Å; F83-L376 HydrophobicContact CD1-CD2 3.81Å; F83-L376 HydrophobicContact CE1-CD2 3.98Å; F83-C378 HydrophobicContact CE1-CB 3.91Å; F83-C378 HydrophobicContact CZ-CB 4.31Å; F83-W383 HydrophobicContact CE1-CB 4.15Å; F83-W383 AromaticContact CE1-CD1 3.75Å; F83-W383 HydrophobicContact CE1-CD2 4.33Å; F83-W383 AromaticContact CE1-CG 3.8Å; F83-W383 HydrophobicContact CE1-CG 3.8Å; F83-W383 HydrophobicContact CE2-CD2 4.09Å; F83-W383 HydrophobicContact CE2-CE3 4.36Å; F83-W383 HydrophobicContact CE2-CG 4.38Å; F83-W383 HydrophobicContact CZ-CB 4.2Å; F83-W383 AromaticContact CZ-CD1 3.53Å; F83-W383 AromaticContact CZ-CD2 3.53Å; F83-W383 HydrophobicContact CZ-CD2 3.53Å; F83-W383 AromaticContact CZ-CE2 3.63Å; F83-W383 HydrophobicContact CZ-CE3 4.24Å; F83-W383 AromaticContact CZ-CG 3.48Å; F83-W383 HydrophobicContact CZ-CG 3.48Å; F83-W383 VanDerWaalsContact CZ-CG 3.48Å; F83-W383 HydrophobicContact CZ-CZ2 4.37Å; F83-W383 AromaticContact CZ-NE1 3.61Å; F83-L385 HydrophobicContact CB-CD2 4.17Å; F83-L385 HydrophobicContact CD1-CD1 4.18Å; F83-L385 HydrophobicContact CD1-CD2 3.84Å; F83-L385 HydrophobicContact CE1-CD2 4.4Å; F83-L385 HydrophobicContact CG-CD2 3.96Å |
| 84 | I | 89.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 173.5 | -67.1 | 166.9 | 0 | 0 | 0 | 109.5 | I57 F61 Y71 K80 Q81 V82 V86 C88 | I57-I84 HydrophobicContact CD1-CD1 4.19Å; I57-I84 HydrophobicContact CD1-CG2 4.39Å; I57-I84 HydrophobicContact CG1-CD1 4.33Å; I57-I84 HydrophobicContact CG1-CG2 3.85Å; I57-I84 HydrophobicContact CG2-CD1 4.04Å; I57-I84 HydrophobicContact CG2-CG1 4.47Å; F61-I84 HydrophobicContact CE1-CG1 3.93Å; F61-I84 HydrophobicContact CZ-CD1 3.98Å; F61-I84 HydrophobicContact CZ-CG1 3.86Å; Y71-I84 HydrophobicContact CD2-CD1 4.2Å; Y71-I84 HydrophobicContact CD2-CG1 4.35Å; Y71-I84 HydrophobicContact CE2-CD1 3.86Å; Y71-I84 HydrophobicContact CE2-CG1 4.5Å; K80-I84 WeakPolarHBondContact O-CG1 3.48Å; K80-I84 PolarHBondContact O-N 3.05Å; K80-I84 VanDerWaalsContact O-N 3.14Å; Q81-I84 PolarHBondContact O-N 3.14Å; V82-I84 VanDerWaalsContact C-N 3.34Å; V82-I84 PolarHBondContact O-N 2.76Å; I84-V86 PolarHBondContact O-N 3.48Å; I84-C88 HydrophobicContact CG2-CB 4.48Å; I84-C88 WeakPolarHBondContact O-CB 3.39Å; I84-C88 PolarHBondContact O-N 2.84Å; I84-C88 PolarHBondContact O-SG 2.79Å |
| 85 | G | 87 | Confident | 82.4 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q81 V82 | Q81-G85 PolarHBondContact O-N 2.76Å; V82-G85 PolarHBondContact O-N 2.87Å |
| 86 | V | 88.7 | Confident | 82 | Confident | 12 Ų | 12 | 50 Ų | 50 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -82.6 | -42.9 | -175.7 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | V82 I84 S89 P90 L374 L376 L385 Y430 | V82-V86 HydrophobicContact CG1-CG2 3.89Å; V82-V86 WeakPolarHBondContact O-CB 3.32Å; V82-V86 WeakPolarHBondContact O-CG2 3.23Å; V82-V86 PolarHBondContact O-N 2.9Å; I84-V86 PolarHBondContact O-N 3.48Å; V86-S89 CarbonylContact O-C 3.59Å; V86-P90 WeakPolarHBondContact O-CA 3.44Å; V86-L374 HydrophobicContact CG1-CD1 4.4Å; V86-L374 HydrophobicContact CG1-CD2 4.07Å; V86-L374 HydrophobicContact CG1-CG 4.43Å; V86-L376 HydrophobicContact CG2-CD2 4.44Å; V86-L385 HydrophobicContact CB-CD1 4.15Å; V86-L385 HydrophobicContact CG1-CD1 3.93Å; V86-Y430 HydrophobicContact CG1-CD1 3.68Å; V86-Y430 HydrophobicContact CG1-CE1 3.94Å; V86-Y430 HydrophobicContact CG1-CG 4.42Å; V86-Y430 HydrophobicContact CG2-CD1 4.35Å; V86-Y430 HydrophobicContact CG2-CE1 3.78Å |
| 87 | G | 87.4 | Confident | 81.3 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -86.4 | -26.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N64 F83 | N64-G87 PolarHBondContact ND2-O 3.01Å; F83-G87 VanDerWaalsContact O-CA 3.29Å; F83-G87 WeakPolarHBondContact O-CA 3.44Å; F83-G87 PolarHBondContact O-N 3.49Å |
| 88 | C | 84.4 | Confident | 80.8 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -92.5 | -20.9 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | C60 I84 | C60-C88 HydrophobicContact CB-CB 3.5Å; C60-C88 WeakPolarHBondContact CB-SG 3.48Å; C60-C88 WeakPolarHBondContact SG-CA 3.38Å; C60-C88 WeakPolarHBondContact SG-CB 3.48Å; C60-C88 CovalentContact SG-SG 2.01Å; C60-C88 PolarHBondContact SG-SG 2.75Å; I84-C88 HydrophobicContact CG2-CB 4.48Å; I84-C88 WeakPolarHBondContact O-CB 3.39Å; I84-C88 PolarHBondContact O-N 2.84Å; I84-C88 PolarHBondContact O-SG 2.79Å |
| 89 | S | 76.8 | Confident | 80.5 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -132 | 66.5 | 172.3 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | V86 V91 | V86-S89 CarbonylContact O-C 3.59Å; S89-V91 PolarHBondContact O-N 2.87Å |
| 90 | P | 64.2 | Low | 80.3 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 29% | 0.292 | 28% | 0.278 | S | S | . | . | trans | -48.8 | 131.4 | -178.2 | 18 | -28.8 | 0 | 0 | 0 | 110.3 | V86 T92 L374 | V86-P90 WeakPolarHBondContact O-CA 3.44Å; P90-T92 HydrophobicContact CB-CG2 4.07Å; P90-T92 HydrophobicContact CG-CG2 4.07Å; P90-T92 PolarHBondContact O-N 2.9Å; P90-L374 HydrophobicContact CB-CD2 4.28Å | ||
| 91 | V | 60.4 | Low | 80.2 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | trans | -66.3 | 85.2 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 105.9 | S89 Y93 Y430 | S89-V91 PolarHBondContact O-N 2.87Å; V91-Y93 HydrophobicContact CG1-CD2 3.86Å; V91-Y93 HydrophobicContact CG1-CE2 3.52Å; V91-Y93 PolarHBondContact O-N 2.95Å; V91-Y430 HydrophobicContact CB-CE2 4.24Å; V91-Y430 HydrophobicContact CG2-CE2 4.08Å | ||
| 92 | T | 55.1 | Low | 79.9 | Confident | 75 Ų | 75 | 51 Ų | 51 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | trans | -81.7 | 86.9 | -176.4 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | P90 Q94 | P90-T92 HydrophobicContact CB-CG2 4.07Å; P90-T92 HydrophobicContact CG-CG2 4.07Å; P90-T92 PolarHBondContact O-N 2.9Å; T92-Q94 PolarHBondContact O-N 3Å | ||
| 93 | Y | 59.7 | Low | 79.6 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | trans | -70.5 | 72 | 155 | -72.4 | -83.2 | 0 | 0 | 0 | 108.2 | V91 R95 P391 D423 E426 | V91-Y93 HydrophobicContact CG1-CD2 3.86Å; V91-Y93 HydrophobicContact CG1-CE2 3.52Å; V91-Y93 PolarHBondContact O-N 2.95Å; Y93-R95 PolarHBondContact O-N 3.05Å; Y93-P391 WeakPolarHBondContact O-CB 3.38Å; Y93-D423 HydrophobicContact CD1-CB 4.22Å; Y93-D423 HydrophobicContact CE1-CB 3.87Å; Y93-E426 HydrophobicContact CE2-CB 3.82Å; Y93-E426 HydrophobicContact CE2-CG 3.47Å; Y93-E426 VanDerWaalsContact CE2-CG 3.47Å; Y93-E426 WeakPolarHBondContact OH-CG 3.44Å | ||
| 94 | Q | 65 | Low | 79.1 | Confident | 114 Ų | 114 | 52.5 Ų | 52.5 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | trans | -66 | -27.1 | 174.8 | -86.9 | 167.1 | 17.7 | 0 | 0 | 110.9 | T92 S389 S392 | T92-Q94 PolarHBondContact O-N 3Å; Q94-S389 WeakPolarHBondContact CG-OG 3.15Å; Q94-S392 PolarHBondContact O-N 3.27Å; Q94-S392 PolarHBondContact O-OG 3.22Å | ||
| 95 | R | 77.7 | Confident | 78.3 | Confident | 127 Ų | 127 | 53.5 Ų | 53.5 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -148.3 | 125.5 | -178.3 | -168.8 | 169.3 | -175.8 | 127.9 | -1.3 | 111.7 | Y93 S392 | Y93-R95 PolarHBondContact O-N 3.05Å; R95-S392 WeakPolarHBondContact CA-O 3.41Å; R95-S392 WeakPolarHBondContact CB-OG 3.38Å; R95-S392 WeakPolarHBondContact CG-OG 3.42Å |
| 96 | F | 84.9 | Confident | 77.9 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | trans | -80.1 | 161.6 | 171.6 | -76.7 | -93.3 | 0 | 0 | 0 | 111.5 | G98 P391 S392 I394 L420 D423 I424 Y427 | F96-G98 PolarHBondContact O-N 3.3Å; F96-P391 HydrophobicContact CD2-CB 3.75Å; F96-P391 HydrophobicContact CE2-CB 3.35Å; F96-P391 HydrophobicContact CE2-CG 3.93Å; F96-S392 PolarHBondContact N-O 3.42Å; F96-I394 HydrophobicContact CB-CG2 3.71Å; F96-I394 HydrophobicContact CD1-CD1 4.31Å; F96-I394 HydrophobicContact CD1-CG2 4.32Å; F96-I394 HydrophobicContact CD2-CD1 3.56Å; F96-I394 HydrophobicContact CD2-CG1 3.63Å; F96-I394 HydrophobicContact CD2-CG2 4.28Å; F96-I394 HydrophobicContact CE1-CD1 4.16Å; F96-I394 HydrophobicContact CE2-CD1 3.41Å; F96-I394 VanDerWaalsContact CE2-CD1 3.41Å; F96-I394 HydrophobicContact CE2-CG1 3.97Å; F96-I394 HydrophobicContact CG-CD1 4.02Å; F96-I394 HydrophobicContact CG-CG1 4.09Å; F96-I394 HydrophobicContact CG-CG2 3.85Å; F96-I394 HydrophobicContact CZ-CD1 3.73Å; F96-L420 HydrophobicContact CB-CD1 4.43Å; F96-L420 HydrophobicContact CD1-CD1 4.1Å; F96-D423 HydrophobicContact CD1-CB 3.72Å; F96-D423 HydrophobicContact CE1-CB 3.66Å; F96-I424 HydrophobicContact CD1-CG1 4.21Å; F96-I424 HydrophobicContact CE1-CB 4.39Å; F96-I424 HydrophobicContact CE1-CG1 3.66Å; F96-I424 HydrophobicContact CZ-CG1 4.34Å; F96-Y427 HydrophobicContact CE2-CD2 4.49Å; F96-Y427 HydrophobicContact CZ-CD2 4.32Å; F96-Y427 AromaticContact CZ-CG 3.98Å; F96-Y427 HydrophobicContact CZ-CG 3.98Å | ||
| 97 | S | 78.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -60 | -12.9 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 98 | G | 82.8 | Confident | 77.1 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | trans | 114.6 | 146.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F96 G393 | F96-G98 PolarHBondContact O-N 3.3Å; G98-G393 WeakPolarHBondContact CA-O 2.71Å | ||
| 99 | S | 88.2 | Confident | 77 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | trans | -65.4 | 142.3 | 171 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | C101 Q104 G393 N445 | S99-C101 VanDerWaalsContact C-N 3.33Å; S99-C101 WeakPolarHBondContact OG-CB 3.47Å; S99-C101 PolarHBondContact OG-N 2.74Å; S99-C101 VanDerWaalsContact OG-N 3.11Å; S99-Q104 PolarHBondContact OG-OE1 3.39Å; S99-G393 PolarHBondContact N-O 3.09Å; S99-G393 VanDerWaalsContact N-O 3.11Å; S99-N445 WeakPolarHBondContact CB-OD1 3.36Å; S99-N445 VanDerWaalsContact OG-CA 3.29Å; S99-N445 WeakPolarHBondContact OG-CA 3.46Å; S99-N445 PolarHBondContact OG-O 3.28Å; S99-N445 PolarHBondContact OG-OD1 3.38Å | ||
| 100 | Y | 90.3 | Very high | 77.2 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | trans | -93.6 | 7.7 | 170.8 | -50 | -26.4 | 0 | 0 | 0 | 112.3 | L420 N445 | Y100-L420 HydrophobicContact CD1-CD2 4.25Å; Y100-L420 HydrophobicContact CD2-CD2 3.92Å; Y100-L420 HydrophobicContact CE1-CB 4.26Å; Y100-L420 HydrophobicContact CE1-CD2 4.32Å; Y100-L420 HydrophobicContact CE2-CB 3.81Å; Y100-L420 HydrophobicContact CE2-CD2 4Å; Y100-L420 HydrophobicContact CG-CD2 4.05Å; Y100-N445 PolarHBondContact N-O 2.88Å | ||
| 101 | C | 91.3 | Very high | 78.3 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -81 | 119.3 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | S99 I103 Q104 Q444 C449 | S99-C101 VanDerWaalsContact C-N 3.33Å; S99-C101 WeakPolarHBondContact OG-CB 3.47Å; S99-C101 PolarHBondContact OG-N 2.74Å; S99-C101 VanDerWaalsContact OG-N 3.11Å; C101-I103 PolarHBondContact O-N 3.39Å; C101-I103 WeakPolarHBondContact SG-CG1 3.13Å; C101-Q104 HydrophobicContact CB-CB 4.31Å; C101-Q104 HydrophobicContact CB-CG 4.21Å; C101-Q104 VanDerWaalsContact SG-CG 3.56Å; C101-Q444 WeakPolarHBondContact CB-O 3.22Å; C101-C449 HydrophobicContact CB-CB 3.65Å; C101-C449 WeakPolarHBondContact CB-SG 3.29Å; C101-C449 WeakPolarHBondContact SG-CB 3.41Å; C101-C449 CovalentContact SG-SG 2.03Å; C101-C449 PolarHBondContact SG-SG 2.75Å | ||
| 102 | H | 84.7 | Confident | 79.8 | Confident | 141 Ų | 141 | 60.7 Ų | 60.7 | 65% | 0.653 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.2 | -175.4 | 59.4 | -80.3 | 0 | 0 | 0 | 114.6 | ||
| 103 | I | 84.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 30% | 0.297 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -13.2 | -177.2 | 54.7 | 158.4 | 0 | 0 | 0 | 114.3 | C101 G105 W212 T450 | C101-I103 PolarHBondContact O-N 3.39Å; C101-I103 WeakPolarHBondContact SG-CG1 3.13Å; I103-G105 PolarHBondContact O-N 3.49Å; I103-G105 VanDerWaalsContact O-N 3.14Å; I103-W212 HydrophobicContact CD1-CB 3.5Å; I103-W212 VanDerWaalsContact CD1-CB 3.5Å; I103-W212 HydrophobicContact CD1-CE3 4.49Å; I103-W212 HydrophobicContact CD1-CG 4.31Å; I103-T450 HydrophobicContact CD1-CG2 3.64Å; I103-T450 HydrophobicContact CG1-CG2 4.12Å; I103-T450 HydrophobicContact CG2-CG2 4.3Å |
| 104 | Q | 81.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -80.1 | 12.9 | -175.9 | -81.9 | 173.7 | -8.5 | 0 | 0 | 114 | S99 C101 A208 S209 I395 Q444 | S99-Q104 PolarHBondContact OG-OE1 3.39Å; C101-Q104 HydrophobicContact CB-CB 4.31Å; C101-Q104 HydrophobicContact CB-CG 4.21Å; C101-Q104 VanDerWaalsContact SG-CG 3.56Å; Q104-A208 CarbonylContact O-C 3.6Å; Q104-A208 WeakPolarHBondContact O-CA 3.38Å; Q104-S209 PolarHBondContact O-N 3.04Å; Q104-I395 HydrophobicContact CB-CG1 4.4Å; Q104-I395 HydrophobicContact CG-CG1 4.18Å; Q104-Q444 PolarHBondContact NE2-O 3.28Å; Q104-Q444 PolarHBondContact OE1-O 3.43Å |
| 105 | G | 72 | Confident | 84.8 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | trans | 76.3 | 172.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I103 L107 | I103-G105 PolarHBondContact O-N 3.49Å; I103-G105 VanDerWaalsContact O-N 3.14Å; G105-L107 PolarHBondContact O-N 3.18Å; G105-L107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | N | 77.4 | Confident | 85.7 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | trans | -84 | 88.3 | 180 | -169.1 | -5.7 | 0 | 0 | 0 | 109.8 | S108 E109 R143 | N106-S108 PolarHBondContact O-N 3.01Å; N106-S108 VanDerWaalsContact OD1-CB 3.22Å; N106-S108 WeakPolarHBondContact OD1-CB 3.45Å; N106-S108 PolarHBondContact OD1-N 3.37Å; N106-S108 VanDerWaalsContact OD1-N 3.15Å; N106-E109 HydrophobicContact CB-CB 4.08Å; N106-E109 VanDerWaalsContact O-CB 3.32Å; N106-E109 WeakPolarHBondContact O-CB 3.31Å; N106-E109 PolarHBondContact O-N 3.24Å; N106-E109 PolarHBondContact OD1-N 3.39Å; N106-R143 PolarHBondContact O-NH2 3.48Å | ||
| 107 | L | 83.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11 | 176.3 | -65.4 | -176.8 | 0 | 0 | 0 | 113.5 | G105 R143 A208 I395 | G105-L107 PolarHBondContact O-N 3.18Å; G105-L107 VanDerWaalsContact O-N 3.12Å; L107-R143 VanDerWaalsContact CA-NH2 3.32Å; L107-R143 HydrophobicContact CD2-CG 4.18Å; L107-R143 PolarHBondContact O-NH2 3.03Å; L107-A208 HydrophobicContact CD2-CB 3.69Å; L107-I395 HydrophobicContact CD1-CD1 3.93Å; L107-I395 HydrophobicContact CD1-CG1 4.09Å; L107-I395 HydrophobicContact CD2-CD1 4.12Å |
| 108 | S | 77.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 53% | 0.531 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -24.9 | 172.1 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | N106 | N106-S108 PolarHBondContact O-N 3.01Å; N106-S108 VanDerWaalsContact OD1-CB 3.22Å; N106-S108 WeakPolarHBondContact OD1-CB 3.45Å; N106-S108 PolarHBondContact OD1-N 3.37Å; N106-S108 VanDerWaalsContact OD1-N 3.15Å |
| 109 | E | 81 | Confident | 87.6 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -65.7 | 141.9 | 177.2 | -163.7 | -179.6 | 155.9 | 0 | 0 | 109.9 | N106 R143 K207 | N106-E109 HydrophobicContact CB-CB 4.08Å; N106-E109 VanDerWaalsContact O-CB 3.32Å; N106-E109 WeakPolarHBondContact O-CB 3.31Å; N106-E109 PolarHBondContact O-N 3.24Å; N106-E109 PolarHBondContact OD1-N 3.39Å; E109-R143 PolarHBondContact O-NH1 3.49Å; E109-R143 PolarHBondContact O-NH2 3.23Å; E109-K207 HydrophobicContact CB-CB 4.48Å; E109-K207 HydrophobicContact CB-CG 4.37Å; E109-K207 HydrophobicContact CG-CG 4.37Å; E109-K207 VanDerWaalsContact OE1-CE 3.3Å; E109-K207 WeakPolarHBondContact OE1-CE 3.47Å; E109-K207 IonicContact OE1-NZ 3.25Å; E109-K207 PolarHBondContact OE1-NZ 2.76Å |
| 110 | Q | 82 | Confident | 87.8 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 138.8 | 176 | -69.1 | -65.6 | -10.3 | 0 | 0 | 109.6 | ||
| 111 | P | 88 | Confident | 87.7 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 148.4 | 174.6 | -19.9 | 34.8 | 0 | 0 | 0 | 110.6 | L139 A205 | P111-L139 HydrophobicContact CB-CD1 3.59Å; P111-L139 HydrophobicContact CB-CD2 3.7Å; P111-L139 HydrophobicContact CB-CG 3.99Å; P111-L139 HydrophobicContact CG-CD1 4.06Å; P111-L139 HydrophobicContact CG-CD2 3.73Å; P111-L139 HydrophobicContact CG-CG 3.99Å; P111-A205 VanDerWaalsContact CA-O 3.28Å; P111-A205 WeakPolarHBondContact CA-O 3.28Å; P111-A205 VanDerWaalsContact CB-O 3.28Å; P111-A205 WeakPolarHBondContact CB-O 3.48Å |
| 112 | S | 91.2 | Very high | 87.5 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.2 | -172.2 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | V114 Y204 A205 K207 | S112-V114 PolarHBondContact O-N 2.87Å; S112-Y204 CarbonylContact O-C 3.56Å; S112-Y204 WeakPolarHBondContact O-CA 3.43Å; S112-A205 PolarHBondContact N-O 3.14Å; S112-A205 VanDerWaalsContact N-O 3.11Å; S112-A205 PolarHBondContact O-N 3.36Å; S112-K207 WeakPolarHBondContact OG-CE 3.4Å |
| 113 | F | 93.9 | Very high | 87.5 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 127.2 | 169.2 | -178.4 | -114.4 | 0 | 0 | 0 | 109.6 | G115 L173 R202 V203 Y204 | F113-G115 WeakPolarHBondContact CE2-O 3.38Å; F113-G115 WeakPolarHBondContact CZ-O 3.42Å; F113-L173 HydrophobicContact CE1-CD1 3.97Å; F113-L173 HydrophobicContact CE1-CD2 4.5Å; F113-L173 HydrophobicContact CZ-CD1 3.68Å; F113-R202 HydrophobicContact CE2-CB 4.04Å; F113-R202 HydrophobicContact CE2-CG 4.29Å; F113-V203 WeakPolarHBondContact CD2-O 3.43Å; F113-Y204 HydrophobicContact CB-CD1 3.9Å; F113-Y204 HydrophobicContact CB-CE1 3.8Å; F113-Y204 AromaticContact CD2-CD1 4Å; F113-Y204 HydrophobicContact CD2-CD1 4Å; F113-Y204 HydrophobicContact CD2-CD2 4.28Å; F113-Y204 AromaticContact CD2-CE1 3.63Å; F113-Y204 HydrophobicContact CD2-CE1 3.63Å; F113-Y204 AromaticContact CD2-CE2 3.94Å; F113-Y204 HydrophobicContact CD2-CE2 3.94Å; F113-Y204 HydrophobicContact CD2-CG 4.31Å; F113-Y204 AromaticContact CD2-CZ 3.59Å; F113-Y204 HydrophobicContact CE2-CE2 4.36Å; F113-Y204 HydrophobicContact CG-CD1 4.47Å; F113-Y204 HydrophobicContact CG-CE1 4.15Å |
| 114 | V | 94.8 | Very high | 87.5 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -45.6 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | S112 F117 Y149 L164 V203 A205 | S112-V114 PolarHBondContact O-N 2.87Å; V114-F117 HydrophobicContact CG1-CE2 4.37Å; V114-F117 HydrophobicContact CG1-CZ 4.39Å; V114-Y149 HydrophobicContact CG2-CD1 4.44Å; V114-Y149 HydrophobicContact CG2-CE1 4.44Å; V114-L164 HydrophobicContact CG1-CD1 4.42Å; V114-L164 HydrophobicContact CG1-CD2 3.89Å; V114-V203 HydrophobicContact CB-CB 4.49Å; V114-V203 HydrophobicContact CB-CG1 4.25Å; V114-V203 WeakPolarHBondContact CB-O 3.07Å; V114-V203 HydrophobicContact CG2-CG1 4.5Å; V114-V203 PolarHBondContact N-O 2.97Å; V114-A205 HydrophobicContact CG2-CB 3.69Å |
| 115 | G | 95.6 | Very high | 87.3 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.3 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F113 V203 | F113-G115 WeakPolarHBondContact CE2-O 3.38Å; F113-G115 WeakPolarHBondContact CZ-O 3.42Å; G115-V203 PolarHBondContact N-O 3.06Å; G115-V203 PolarHBondContact O-N 3.38Å |
| 116 | C | 97 | Very high | 87.3 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.3 | 171.9 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | S170 I171 C176 V201 | C116-S170 CarbonylContact O-C 3.57Å; C116-S170 WeakPolarHBondContact O-CA 3.4Å; C116-I171 HydrophobicContact CB-CG1 3.98Å; C116-I171 PolarHBondContact O-N 3.28Å; C116-C176 HydrophobicContact CB-CB 3.45Å; C116-C176 VanDerWaalsContact CB-CB 3.45Å; C116-C176 WeakPolarHBondContact CB-SG 3.32Å; C116-C176 VanDerWaalsContact SG-CA 3.52Å; C116-C176 WeakPolarHBondContact SG-CB 3.39Å; C116-C176 CovalentContact SG-SG 2.01Å; C116-C176 PolarHBondContact SG-SG 3.34Å; C116-V201 WeakPolarHBondContact CA-O 3.49Å; C116-V201 PolarHBondContact SG-O 3.25Å |
| 117 | F | 97 | Very high | 87.3 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.2 | -174.5 | -60.6 | -96.5 | 0 | 0 | 0 | 111.1 | V114 I119 P165 R169 S200 V201 V203 | V114-F117 HydrophobicContact CG1-CE2 4.37Å; V114-F117 HydrophobicContact CG1-CZ 4.39Å; F117-I119 HydrophobicContact CB-CD1 4.04Å; F117-P165 HydrophobicContact CB-CB 3.94Å; F117-P165 HydrophobicContact CB-CG 3.83Å; F117-P165 HydrophobicContact CD1-CB 3.64Å; F117-P165 HydrophobicContact CD1-CG 3.93Å; F117-P165 HydrophobicContact CD2-CG 3.91Å; F117-P165 HydrophobicContact CE1-CB 4.25Å; F117-P165 HydrophobicContact CE1-CG 4.45Å; F117-P165 HydrophobicContact CE2-CG 4.45Å; F117-P165 HydrophobicContact CG-CB 3.8Å; F117-P165 HydrophobicContact CG-CG 3.62Å; F117-R169 CarbonylContact C-O 3.58Å; F117-R169 VanDerWaalsContact CA-O 3.3Å; F117-R169 WeakPolarHBondContact CA-O 2.86Å; F117-S200 CarbonylContact O-C 3.49Å; F117-S200 WeakPolarHBondContact O-CA 3.38Å; F117-V201 PolarHBondContact N-O 3.19Å; F117-V201 PolarHBondContact O-N 3.31Å; F117-V203 HydrophobicContact CD2-CB 3.98Å; F117-V203 HydrophobicContact CD2-CG2 3.53Å; F117-V203 HydrophobicContact CE2-CB 3.91Å; F117-V203 HydrophobicContact CE2-CG2 3.96Å |
| 118 | L | 95.2 | Very high | 87 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 29% | 0.293 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115 | 170.2 | -73.1 | 176.2 | 0 | 0 | 0 | 110.2 | R169 I171 P198 V199 | L118-R169 PolarHBondContact N-O 3.47Å; L118-R169 WeakPolarHBondContact O-CB 3.35Å; L118-R169 VanDerWaalsContact O-CD 3.32Å; L118-R169 WeakPolarHBondContact O-CD 3.25Å; L118-I171 HydrophobicContact CD1-CG2 3.59Å; L118-I171 HydrophobicContact CD2-CD1 3.98Å; L118-I171 HydrophobicContact CG-CD1 4.01Å; L118-I171 HydrophobicContact CG-CG1 4.4Å; L118-I171 HydrophobicContact CG-CG2 3.68Å; L118-P198 HydrophobicContact CB-CB 3.97Å; L118-P198 HydrophobicContact CB-CG 3.86Å; L118-P198 HydrophobicContact CD1-CG 4.18Å; L118-P198 HydrophobicContact CD2-CG 4.3Å; L118-P198 HydrophobicContact CG-CG 4.34Å; L118-V199 CarbonylContact C-O 3.57Å; L118-V199 WeakPolarHBondContact CA-O 3.37Å |
| 119 | I | 93.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.5 | -178.6 | -50.6 | -59.4 | 0 | 0 | 0 | 109.2 | F117 D123 L124 W151 P165 P198 V199 V201 | F117-I119 HydrophobicContact CB-CD1 4.04Å; I119-D123 HydrophobicContact CG2-CB 4.13Å; I119-L124 HydrophobicContact CG2-CD1 4.14Å; I119-L124 HydrophobicContact CG2-CD2 3.83Å; I119-L124 HydrophobicContact CG2-CG 3.77Å; I119-W151 HydrophobicContact CD1-CH2 4.29Å; I119-W151 HydrophobicContact CD1-CZ3 3.95Å; I119-W151 HydrophobicContact CG1-CE3 4.44Å; I119-W151 HydrophobicContact CG1-CZ3 4.06Å; I119-W151 HydrophobicContact CG2-CZ3 4.38Å; I119-P165 HydrophobicContact CD1-CB 3.67Å; I119-P165 HydrophobicContact CD1-CG 3.79Å; I119-P198 CarbonylContact O-C 3.58Å; I119-P198 WeakPolarHBondContact O-CA 2.88Å; I119-P198 WeakPolarHBondContact O-CB 3.48Å; I119-V199 PolarHBondContact N-O 3.32Å; I119-V199 WeakPolarHBondContact O-CG1 3.48Å; I119-V199 PolarHBondContact O-N 3.06Å; I119-V201 HydrophobicContact CB-CG2 4.19Å; I119-V201 HydrophobicContact CG1-CB 4.07Å; I119-V201 HydrophobicContact CG1-CG2 3.74Å |
| 120 | R | 92.2 | Very high | 86.9 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | trans | -70.8 | 145 | 176.9 | -64.8 | -179.2 | -59.2 | 176.6 | 8.4 | 110.6 | S122 D123 D197 P198 | R120-S122 PolarHBondContact O-N 3.4Å; R120-D123 IonicContact CZ-OD1 3.32Å; R120-D123 IonicContact CZ-OD2 3.81Å; R120-D123 IonicContact NE-OD1 3.36Å; R120-D123 IonicContact NE-OD2 2.94Å; R120-D123 PolarHBondContact NE-OD2 2.63Å; R120-D123 IonicContact NH2-OD1 3.81Å; R120-D123 PolarHBondContact NH2-OD1 3.19Å; R120-D123 IonicContact NH2-OD2 3.4Å; R120-D123 WeakPolarHBondContact O-CB 3.49Å; R120-D123 PolarHBondContact O-N 3.48Å; R120-D197 WeakPolarHBondContact CA-OD1 3.33Å; R120-P198 HydrophobicContact CG-CB 4.24Å | ||
| 121 | H | 88.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -41.4 | 175.6 | -71.2 | -177.4 | 0 | 0 | 0 | 111.3 | D123 L124 I125 P196 D197 | H121-D123 PolarHBondContact O-N 3.23Å; H121-D123 VanDerWaalsContact O-N 3.14Å; H121-L124 PolarHBondContact O-N 3.08Å; H121-I125 WeakPolarHBondContact O-CG1 3.49Å; H121-I125 PolarHBondContact O-N 3.4Å; H121-P196 PolarHBondContact NE2-O 3.36Å; H121-D197 IonicContact CD2-OD1 3.87Å; H121-D197 IonicContact CG-OD1 3.2Å; H121-D197 PolarHBondContact N-OD1 3.13Å |
| 122 | S | 86.2 | Confident | 86.1 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.6 | -31.8 | 176.9 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | R120 L124 | R120-S122 PolarHBondContact O-N 3.4Å; S122-L124 VanDerWaalsContact C-N 3.28Å |
| 123 | D | 86.7 | Confident | 85.3 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80 | -14.6 | -177.7 | -56.7 | -19.9 | 0 | 0 | 0 | 111.3 | I119 R120 H121 V127 R169 | I119-D123 HydrophobicContact CG2-CB 4.13Å; R120-D123 IonicContact CZ-OD1 3.32Å; R120-D123 IonicContact CZ-OD2 3.81Å; R120-D123 IonicContact NE-OD1 3.36Å; R120-D123 IonicContact NE-OD2 2.94Å; R120-D123 PolarHBondContact NE-OD2 2.63Å; R120-D123 IonicContact NH2-OD1 3.81Å; R120-D123 PolarHBondContact NH2-OD1 3.19Å; R120-D123 IonicContact NH2-OD2 3.4Å; R120-D123 WeakPolarHBondContact O-CB 3.49Å; R120-D123 PolarHBondContact O-N 3.48Å; H121-D123 PolarHBondContact O-N 3.23Å; H121-D123 VanDerWaalsContact O-N 3.14Å; D123-V127 WeakPolarHBondContact O-CG2 3.47Å; D123-R169 IonicContact OD2-CZ 2.79Å; D123-R169 IonicContact OD2-NH1 3.91Å; D123-R169 PolarHBondContact OD2-NH1 3.43Å; D123-R169 IonicContact OD2-NH2 2.7Å; D123-R169 PolarHBondContact OD2-NH2 3.21Å |
| 124 | L | 84.1 | Confident | 84.6 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99.3 | -19.7 | 180 | -62.8 | 173.8 | 0 | 0 | 0 | 113.6 | I119 H121 S122 F126 V127 W159 V199 | I119-L124 HydrophobicContact CG2-CD1 4.14Å; I119-L124 HydrophobicContact CG2-CD2 3.83Å; I119-L124 HydrophobicContact CG2-CG 3.77Å; H121-L124 PolarHBondContact O-N 3.08Å; S122-L124 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 2.83Å; L124-F126 VanDerWaalsContact O-N 3.16Å; L124-V127 PolarHBondContact O-N 2.74Å; L124-W159 HydrophobicContact CD1-CH2 4.07Å; L124-W159 HydrophobicContact CD1-CZ2 3.86Å; L124-W159 HydrophobicContact CD2-CD2 4.21Å; L124-W159 HydrophobicContact CD2-CZ2 4.16Å; L124-W159 HydrophobicContact CG-CZ2 4.41Å; L124-V199 HydrophobicContact CD1-CG1 3.94Å |
| 125 | I | 75.6 | Confident | 83.7 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -39.1 | -174.7 | -68 | 172.3 | 0 | 0 | 0 | 112.8 | H121 | H121-I125 WeakPolarHBondContact O-CG1 3.49Å; H121-I125 PolarHBondContact O-N 3.4Å |
| 126 | F | 73 | Confident | 83 | Confident | 190 Ų | 190 | 68 Ų | 68 | 83% | 0.833 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3 | -177.1 | -57.6 | -70.8 | 0 | 0 | 0 | 113.5 | L124 | L124-F126 PolarHBondContact O-N 2.83Å; L124-F126 VanDerWaalsContact O-N 3.16Å |
| 127 | V | 77.2 | Confident | 82.4 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -99.5 | 118.1 | -176.7 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | D123 L124 S129 W159 M161 | D123-V127 WeakPolarHBondContact O-CG2 3.47Å; L124-V127 PolarHBondContact O-N 2.74Å; V127-S129 PolarHBondContact O-N 2.82Å; V127-W159 HydrophobicContact CG1-CB 4.42Å; V127-W159 HydrophobicContact CG1-CG 4.32Å; V127-M161 HydrophobicContact CG1-CE 3.24Å; V127-M161 HydrophobicContact CG1-SD 3.84Å |
| 128 | K | 76 | Confident | 82 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | trans | -59.8 | 126 | 174.5 | -72 | -176.4 | 177.8 | -179.6 | 0 | 110 | ||||
| 129 | S | 80.3 | Confident | 81.6 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | trans | -113.2 | 164.4 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | V127 C158 | V127-S129 PolarHBondContact O-N 2.82Å; S129-C158 WeakPolarHBondContact CA-O 3.49Å | ||
| 130 | S | 76.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.9 | 169.8 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | C158 | S130-C158 PolarHBondContact N-O 3.38Å; S130-C158 VanDerWaalsContact O-CB 3.31Å; S130-C158 WeakPolarHBondContact O-CB 3.41Å; S130-C158 PolarHBondContact O-N 3.35Å |
| 131 | E | 76.5 | Confident | 81.1 | Confident | 132 Ų | 132 | 63.8 Ų | 63.8 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 139.4 | 166.7 | -70.8 | 173.5 | -169.5 | 0 | 0 | 110.3 | H156 R367 | E131-H156 CarbonylContact C-O 3.49Å; E131-H156 VanDerWaalsContact CA-O 3.29Å; E131-H156 WeakPolarHBondContact CA-O 3.25Å; E131-R367 PolarHBondContact O-NH2 2.89Å |
| 132 | Y | 76.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | trans | -113.8 | 151.8 | 176.4 | 69.4 | -105.8 | 0 | 0 | 0 | 111.3 | D134 D135 D137 C138 L152 H156 C158 | Y132-D134 WeakPolarHBondContact CD2-O 3.38Å; Y132-D134 VanDerWaalsContact CE2-C 3.43Å; Y132-D135 WeakPolarHBondContact CE2-OD1 3.43Å; Y132-D135 PolarHBondContact OH-OD1 3.46Å; Y132-D137 WeakPolarHBondContact CA-OD2 3.49Å; Y132-C138 HydrophobicContact CD1-CB 4.02Å; Y132-C138 HydrophobicContact CG-CB 4.05Å; Y132-L152 HydrophobicContact CE1-CB 4.37Å; Y132-L152 HydrophobicContact CE1-CG 4.24Å; Y132-H156 HydrophobicContact CD1-CB 4.16Å; Y132-H156 WeakPolarHBondContact CD1-O 3.23Å; Y132-H156 HydrophobicContact CD2-CB 4.25Å; Y132-H156 AromaticContact CD2-ND1 3.85Å; Y132-H156 HydrophobicContact CE1-CB 4.11Å; Y132-H156 WeakPolarHBondContact CE1-O 3.34Å; Y132-H156 HydrophobicContact CE2-CB 4.25Å; Y132-H156 AromaticContact CE2-ND1 3.35Å; Y132-H156 WeakPolarHBondContact CE2-ND1 3.26Å; Y132-H156 HydrophobicContact CG-CB 4.26Å; Y132-H156 AromaticContact CZ-ND1 3.76Å; Y132-H156 PolarHBondContact N-O 3.39Å; Y132-C158 HydrophobicContact CD1-CB 3.95Å | ||
| 133 | K | 75 | Confident | 81.4 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -78.6 | -42.8 | 178 | -67.5 | 176.8 | 177.7 | 176.2 | 0 | 112.8 | D137 E387 | K133-D137 HydrophobicContact CB-CB 4.42Å; K133-D137 PolarHBondContact N-OD2 3.35Å; K133-E387 WeakPolarHBondContact CE-OE2 3.46Å; K133-E387 IonicContact NZ-OE2 3.53Å; K133-E387 PolarHBondContact NZ-OE2 3.22Å |
| 134 | D | 79.8 | Confident | 81.6 | Confident | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -147.9 | 169.5 | 175.5 | 62.3 | 60.7 | 0 | 0 | 0 | 111.1 | Y132 N136 D137 | Y132-D134 WeakPolarHBondContact CD2-O 3.38Å; Y132-D134 VanDerWaalsContact CE2-C 3.43Å; D134-N136 PolarHBondContact O-N 3.43Å; D134-N136 VanDerWaalsContact O-N 3.12Å; D134-N136 WeakPolarHBondContact OD1-CA 3.46Å; D134-N136 WeakPolarHBondContact OD1-CB 3.25Å; D134-N136 PolarHBondContact OD1-N 3.07Å; D134-D137 VanDerWaalsContact O-CB 3.23Å; D134-D137 WeakPolarHBondContact O-CB 3.44Å; D134-D137 PolarHBondContact O-N 3Å; D134-D137 PolarHBondContact OD1-N 3.48Å |
| 135 | D | 75.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.2 | -29 | -174.9 | -74 | 4.7 | 0 | 0 | 0 | 113.1 | Y132 L152 R202 | Y132-D135 WeakPolarHBondContact CE2-OD1 3.43Å; Y132-D135 PolarHBondContact OH-OD1 3.46Å; D135-L152 HydrophobicContact CB-CD2 3.51Å; D135-L152 VanDerWaalsContact CG-CD2 3.48Å; D135-R202 IonicContact OD2-NH1 2.74Å |
| 136 | N | 81.6 | Confident | 82.7 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -78.2 | -26.7 | 177.2 | -68 | -45.1 | 0 | 0 | 0 | 112.3 | D134 L139 N140 | D134-N136 PolarHBondContact O-N 3.43Å; D134-N136 VanDerWaalsContact O-N 3.12Å; D134-N136 WeakPolarHBondContact OD1-CA 3.46Å; D134-N136 WeakPolarHBondContact OD1-CB 3.25Å; D134-N136 PolarHBondContact OD1-N 3.07Å; N136-L139 WeakPolarHBondContact O-CB 3.2Å; N136-L139 PolarHBondContact O-N 3.08Å; N136-N140 WeakPolarHBondContact O-CB 3.17Å; N136-N140 PolarHBondContact O-N 3.02Å; N136-N140 PolarHBondContact O-ND2 3.05Å; N136-N140 VanDerWaalsContact O-ND2 3.1Å |
| 137 | D | 83.6 | Confident | 83.6 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 177.7 | -172.3 | 43 | 0 | 0 | 0 | 111.2 | Y132 K133 D134 L139 N140 I141 | Y132-D137 WeakPolarHBondContact CA-OD2 3.49Å; K133-D137 HydrophobicContact CB-CB 4.42Å; K133-D137 PolarHBondContact N-OD2 3.35Å; D134-D137 VanDerWaalsContact O-CB 3.23Å; D134-D137 WeakPolarHBondContact O-CB 3.44Å; D134-D137 PolarHBondContact O-N 3Å; D134-D137 PolarHBondContact OD1-N 3.48Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.39Å; D137-N140 PolarHBondContact O-N 3.15Å; D137-I141 WeakPolarHBondContact O-CB 3.27Å; D137-I141 WeakPolarHBondContact O-CD1 3.48Å; D137-I141 VanDerWaalsContact O-CG1 3.24Å; D137-I141 WeakPolarHBondContact O-CG1 3.45Å; D137-I141 PolarHBondContact O-N 3.35Å |
| 138 | C | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | Y132 I141 C142 L152 C158 | Y132-C138 HydrophobicContact CD1-CB 4.02Å; Y132-C138 HydrophobicContact CG-CB 4.05Å; C138-I141 PolarHBondContact O-N 2.95Å; C138-C142 PolarHBondContact O-N 3.42Å; C138-C142 PolarHBondContact O-SG 2.69Å; C138-L152 HydrophobicContact CB-CD1 3.98Å; C138-L152 HydrophobicContact CB-CG 4.04Å; C138-C158 WeakPolarHBondContact CA-SG 3.26Å; C138-C158 HydrophobicContact CB-CB 3.6Å; C138-C158 WeakPolarHBondContact CB-SG 3.36Å; C138-C158 VanDerWaalsContact SG-CA 3.55Å; C138-C158 WeakPolarHBondContact SG-CB 3.28Å; C138-C158 CovalentContact SG-SG 2.03Å; C138-C158 PolarHBondContact SG-SG 2.98Å |
| 139 | L | 88.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 178 | -179.3 | 65.8 | 0 | 0 | 0 | 111.7 | P111 N136 D137 C142 R143 S150 T206 | P111-L139 HydrophobicContact CB-CD1 3.59Å; P111-L139 HydrophobicContact CB-CD2 3.7Å; P111-L139 HydrophobicContact CB-CG 3.99Å; P111-L139 HydrophobicContact CG-CD1 4.06Å; P111-L139 HydrophobicContact CG-CD2 3.73Å; P111-L139 HydrophobicContact CG-CG 3.99Å; N136-L139 WeakPolarHBondContact O-CB 3.2Å; N136-L139 PolarHBondContact O-N 3.08Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.39Å; L139-C142 PolarHBondContact O-N 3.37Å; L139-R143 WeakPolarHBondContact O-CB 3.29Å; L139-R143 PolarHBondContact O-N 2.85Å; L139-S150 VanDerWaalsContact CD1-OG 3.29Å; L139-S150 WeakPolarHBondContact CD1-OG 3.5Å; L139-T206 HydrophobicContact CD1-CG2 4.19Å |
| 140 | N | 86.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 178.9 | -72.3 | -31.7 | 0 | 0 | 0 | 111.9 | N136 D137 R143 S144 | N136-N140 WeakPolarHBondContact O-CB 3.17Å; N136-N140 PolarHBondContact O-N 3.02Å; N136-N140 PolarHBondContact O-ND2 3.05Å; N136-N140 VanDerWaalsContact O-ND2 3.1Å; D137-N140 PolarHBondContact O-N 3.15Å; N140-R143 PolarHBondContact O-N 2.91Å; N140-S144 VanDerWaalsContact O-CB 3.27Å; N140-S144 WeakPolarHBondContact O-CB 3.46Å; N140-S144 PolarHBondContact O-N 2.93Å; N140-S144 PolarHBondContact O-OG 2.93Å |
| 141 | I | 88.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -58.5 | 174.2 | -73.7 | 161.5 | 0 | 0 | 0 | 110.1 | D137 C138 R143 S144 L145 Q363 L366 I390 | D137-I141 WeakPolarHBondContact O-CB 3.27Å; D137-I141 WeakPolarHBondContact O-CD1 3.48Å; D137-I141 VanDerWaalsContact O-CG1 3.24Å; D137-I141 WeakPolarHBondContact O-CG1 3.45Å; D137-I141 PolarHBondContact O-N 3.35Å; C138-I141 PolarHBondContact O-N 2.95Å; I141-R143 VanDerWaalsContact C-N 3.28Å; I141-R143 PolarHBondContact O-N 3.16Å; I141-S144 PolarHBondContact O-N 3.21Å; I141-S144 PolarHBondContact O-OG 2.93Å; I141-L145 HydrophobicContact CG2-CD1 4.28Å; I141-L145 PolarHBondContact O-N 3.27Å; I141-Q363 HydrophobicContact CG2-CB 4.37Å; I141-Q363 HydrophobicContact CG2-CG 3.6Å; I141-L366 HydrophobicContact CG2-CD1 3.98Å; I141-I390 HydrophobicContact CD1-CD1 4.34Å; I141-I390 HydrophobicContact CG1-CD1 3.5Å; I141-I390 VanDerWaalsContact CG1-CD1 3.5Å |
| 142 | C | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | -177.7 | -59.3 | 0 | 0 | 0 | 0 | 112 | C138 L139 L145 G146 I147 S150 C160 T206 | C138-C142 PolarHBondContact O-N 3.42Å; C138-C142 PolarHBondContact O-SG 2.69Å; L139-C142 PolarHBondContact O-N 3.37Å; C142-L145 PolarHBondContact O-N 2.78Å; C142-G146 PolarHBondContact O-N 3.29Å; C142-I147 HydrophobicContact CB-CB 4.48Å; C142-I147 WeakPolarHBondContact O-CB 3.21Å; C142-I147 PolarHBondContact O-N 2.67Å; C142-S150 VanDerWaalsContact SG-CB 3.53Å; C142-C160 WeakPolarHBondContact CA-SG 3.38Å; C142-C160 HydrophobicContact CB-CB 3.66Å; C142-C160 WeakPolarHBondContact CB-SG 3Å; C142-C160 WeakPolarHBondContact SG-CA 3.14Å; C142-C160 WeakPolarHBondContact SG-CB 3.32Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.93Å; C142-T206 HydrophobicContact CB-CG2 4.01Å |
| 143 | R | 90.5 | Very high | 88 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.9 | -169.2 | 176.7 | -166.5 | 173.8 | 13 | 112.2 | N106 L107 E109 L139 N140 I141 L145 G146 T206 A208 I395 | N106-R143 PolarHBondContact O-NH2 3.48Å; L107-R143 VanDerWaalsContact CA-NH2 3.32Å; L107-R143 HydrophobicContact CD2-CG 4.18Å; L107-R143 PolarHBondContact O-NH2 3.03Å; E109-R143 PolarHBondContact O-NH1 3.49Å; E109-R143 PolarHBondContact O-NH2 3.23Å; L139-R143 WeakPolarHBondContact O-CB 3.29Å; L139-R143 PolarHBondContact O-N 2.85Å; N140-R143 PolarHBondContact O-N 2.91Å; I141-R143 VanDerWaalsContact C-N 3.28Å; I141-R143 PolarHBondContact O-N 3.16Å; R143-L145 PolarHBondContact O-N 2.95Å; R143-G146 PolarHBondContact O-N 3.05Å; R143-T206 HydrophobicContact CB-CG2 4.37Å; R143-T206 PolarHBondContact NE-O 2.84Å; R143-T206 VanDerWaalsContact NE-O 3.1Å; R143-A208 HydrophobicContact CG-CB 4.03Å; R143-I395 WeakPolarHBondContact O-CD1 3.25Å |
| 144 | S | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -22.2 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | N140 I141 G146 I390 I395 L396 | N140-S144 VanDerWaalsContact O-CB 3.27Å; N140-S144 WeakPolarHBondContact O-CB 3.46Å; N140-S144 PolarHBondContact O-N 2.93Å; N140-S144 PolarHBondContact O-OG 2.93Å; I141-S144 PolarHBondContact O-N 3.21Å; I141-S144 PolarHBondContact O-OG 2.93Å; S144-G146 VanDerWaalsContact C-N 3.32Å; S144-I390 WeakPolarHBondContact OG-CG2 3.43Å; S144-I395 CarbonylContact O-C 3.49Å; S144-I395 VanDerWaalsContact O-CA 3.31Å; S144-I395 WeakPolarHBondContact O-CA 3.38Å; S144-L396 PolarHBondContact O-N 3.45Å |
| 145 | L | 91.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.1 | 173.6 | -72.3 | 166.3 | 0 | 0 | 0 | 113.6 | I141 C142 R143 I147 Q363 F365 L366 | I141-L145 HydrophobicContact CG2-CD1 4.28Å; I141-L145 PolarHBondContact O-N 3.27Å; C142-L145 PolarHBondContact O-N 2.78Å; R143-L145 PolarHBondContact O-N 2.95Å; L145-I147 VanDerWaalsContact C-N 3.3Å; L145-I147 HydrophobicContact CB-CD1 3.69Å; L145-I147 HydrophobicContact CB-CG1 3.86Å; L145-I147 HydrophobicContact CD1-CD1 3.98Å; L145-I147 HydrophobicContact CG-CD1 4.47Å; L145-Q363 HydrophobicContact CD1-CG 4.04Å; L145-F365 HydrophobicContact CD2-CD1 3.88Å; L145-F365 HydrophobicContact CD2-CE1 4.47Å; L145-L366 HydrophobicContact CD1-CD1 4.03Å; L145-L366 HydrophobicContact CD1-CG 4.33Å; L145-L366 HydrophobicContact CD2-CD1 4.22Å; L145-L366 HydrophobicContact CD2-CD2 3.81Å; L145-L366 HydrophobicContact CD2-CG 3.81Å; L145-L366 HydrophobicContact CG-CD1 3.91Å; L145-L366 HydrophobicContact CG-CD2 4.29Å; L145-L366 HydrophobicContact CG-CG 4.08Å |
| 146 | G | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 21.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C142 R143 S144 S209 P210 | C142-G146 PolarHBondContact O-N 3.29Å; R143-G146 PolarHBondContact O-N 3.05Å; S144-G146 VanDerWaalsContact C-N 3.32Å; G146-S209 CarbonylContact O-C 3.53Å; G146-S209 WeakPolarHBondContact O-CA 3.07Å; G146-P210 WeakPolarHBondContact O-CA 3.47Å; G146-P210 VanDerWaalsContact O-CD 3.22Å; G146-P210 WeakPolarHBondContact O-CD 3.37Å |
| 147 | I | 91.5 | Very high | 89.4 | Confident | 23 Ų | 23 | 17 Ų | 17 | 12% | 0.118 | 9% | 0.086 | C | C | . | . | trans | -93.1 | 134.1 | -175.2 | -62.3 | 170.3 | 0 | 0 | 0 | 110.1 | C142 L145 Y149 C160 M161 M162 T206 | C142-I147 HydrophobicContact CB-CB 4.48Å; C142-I147 WeakPolarHBondContact O-CB 3.21Å; C142-I147 PolarHBondContact O-N 2.67Å; L145-I147 VanDerWaalsContact C-N 3.3Å; L145-I147 HydrophobicContact CB-CD1 3.69Å; L145-I147 HydrophobicContact CB-CG1 3.86Å; L145-I147 HydrophobicContact CD1-CD1 3.98Å; L145-I147 HydrophobicContact CG-CD1 4.47Å; I147-Y149 PolarHBondContact O-N 2.8Å; I147-C160 HydrophobicContact CB-CB 4.07Å; I147-C160 HydrophobicContact CD1-CB 3.36Å; I147-C160 HydrophobicContact CG1-CB 4.3Å; I147-C160 VanDerWaalsContact CG2-C 3.49Å; I147-C160 HydrophobicContact CG2-CB 3.79Å; I147-M161 VanDerWaalsContact CG2-C 3.47Å; I147-M161 VanDerWaalsContact CG2-N 3.35Å; I147-M161 VanDerWaalsContact CG2-O 3.24Å; I147-M161 WeakPolarHBondContact CG2-O 3.41Å; I147-M162 HydrophobicContact CB-SD 4.36Å; I147-M162 HydrophobicContact CG2-SD 3.95Å; I147-T206 WeakPolarHBondContact O-CB 3.08Å; I147-T206 WeakPolarHBondContact O-CG2 3.14Å; I147-T206 PolarHBondContact O-OG1 2.78Å | ||
| 148 | A | 91.7 | Very high | 89.7 | Confident | 19 Ų | 19 | 15.5 Ų | 15.5 | 16% | 0.157 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -64.3 | -32.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | M162 T206 A208 | A148-M162 HydrophobicContact CB-CE 4.14Å; A148-M162 HydrophobicContact CB-SD 4.31Å; A148-T206 VanDerWaalsContact C-OG1 3.31Å; A148-T206 PolarHBondContact O-N 2.86Å; A148-T206 PolarHBondContact O-OG1 2.75Å; A148-T206 VanDerWaalsContact O-OG1 3.06Å; A148-A208 WeakPolarHBondContact CA-O 3.21Å |
| 149 | Y | 93.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 15.8 Ų | 15.8 | 22% | 0.216 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.4 | -176.5 | -53.1 | -77.6 | 0 | 0 | 0 | 112.2 | V114 I147 C160 M161 L164 V203 Y204 A205 | V114-Y149 HydrophobicContact CG2-CD1 4.44Å; V114-Y149 HydrophobicContact CG2-CE1 4.44Å; I147-Y149 PolarHBondContact O-N 2.8Å; Y149-C160 WeakPolarHBondContact O-CA 3.41Å; Y149-M161 WeakPolarHBondContact CB-O 3.42Å; Y149-M161 WeakPolarHBondContact CD2-O 3.3Å; Y149-M161 PolarHBondContact N-O 3.3Å; Y149-M161 PolarHBondContact O-N 3.5Å; Y149-L164 HydrophobicContact CD1-CD2 3.53Å; Y149-L164 HydrophobicContact CD1-CG 4.18Å; Y149-L164 HydrophobicContact CD2-CD2 4.3Å; Y149-L164 HydrophobicContact CD2-CG 4.33Å; Y149-L164 HydrophobicContact CE1-CD1 4.09Å; Y149-L164 HydrophobicContact CE1-CD2 3.45Å; Y149-L164 VanDerWaalsContact CE1-CD2 3.45Å; Y149-L164 HydrophobicContact CE1-CG 3.69Å; Y149-L164 HydrophobicContact CE2-CD2 4.24Å; Y149-L164 HydrophobicContact CE2-CG 3.86Å; Y149-L164 HydrophobicContact CG-CD2 3.98Å; Y149-L164 HydrophobicContact CG-CG 4.48Å; Y149-V203 HydrophobicContact CD1-CG1 4.32Å; Y149-Y204 CarbonylContact C-O 3.59Å; Y149-Y204 VanDerWaalsContact CA-O 3.25Å; Y149-Y204 WeakPolarHBondContact CA-O 3.42Å; Y149-A205 HydrophobicContact CD1-CB 4.09Å; Y149-A205 HydrophobicContact CE1-CB 3.98Å |
| 150 | S | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.3 | 167.7 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | L139 C142 V203 Y204 | L139-S150 VanDerWaalsContact CD1-OG 3.29Å; L139-S150 WeakPolarHBondContact CD1-OG 3.5Å; C142-S150 VanDerWaalsContact SG-CB 3.53Å; S150-V203 WeakPolarHBondContact O-CA 3.39Å; S150-Y204 PolarHBondContact N-O 2.8Å; S150-Y204 PolarHBondContact O-N 2.62Å |
| 151 | W | 93.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 15.5 Ų | 15.5 | 8% | 0.083 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.2 | -178.2 | -72.3 | 27.6 | 0 | 0 | 0 | 107.6 | I119 C158 W159 M161 Q163 P165 V201 R202 V203 | I119-W151 HydrophobicContact CD1-CH2 4.29Å; I119-W151 HydrophobicContact CD1-CZ3 3.95Å; I119-W151 HydrophobicContact CG1-CE3 4.44Å; I119-W151 HydrophobicContact CG1-CZ3 4.06Å; I119-W151 HydrophobicContact CG2-CZ3 4.38Å; W151-C158 WeakPolarHBondContact O-CA 3.31Å; W151-W159 HydrophobicContact CB-CB 4.05Å; W151-W159 HydrophobicContact CB-CE3 4.28Å; W151-W159 WeakPolarHBondContact CB-O 3.48Å; W151-W159 PolarHBondContact N-O 3.23Å; W151-W159 PolarHBondContact O-N 2.68Å; W151-M161 HydrophobicContact CD2-CB 4.28Å; W151-M161 HydrophobicContact CD2-CG 3.67Å; W151-M161 HydrophobicContact CE3-CG 4.08Å; W151-M161 HydrophobicContact CG-CB 4.49Å; W151-M161 HydrophobicContact CG-CG 4.02Å; W151-M161 HydrophobicContact CH2-CG 4.23Å; W151-M161 HydrophobicContact CH2-SD 4.49Å; W151-M161 HydrophobicContact CZ2-CB 3.95Å; W151-M161 HydrophobicContact CZ2-CG 3.85Å; W151-M161 HydrophobicContact CZ3-CG 4.35Å; W151-Q163 WeakPolarHBondContact CZ2-O 3.24Å; W151-P165 HydrophobicContact CH2-CB 4.36Å; W151-P165 HydrophobicContact CH2-CG 3.64Å; W151-P165 HydrophobicContact CZ2-CB 4.46Å; W151-P165 HydrophobicContact CZ2-CG 3.45Å; W151-P165 VanDerWaalsContact CZ2-CG 3.45Å; W151-P165 HydrophobicContact CZ3-CG 4.29Å; W151-V201 HydrophobicContact CB-CG1 3.59Å; W151-V201 HydrophobicContact CD2-CG1 4.27Å; W151-V201 HydrophobicContact CE3-CG1 4.15Å; W151-V201 HydrophobicContact CG-CG1 4.07Å; W151-R202 CarbonylContact C-O 3.6Å; W151-R202 WeakPolarHBondContact CA-O 3.34Å; W151-V203 HydrophobicContact CD2-CG2 4.16Å; W151-V203 HydrophobicContact CG-CG2 3.92Å |
| 152 | L | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.2 | 177 | -73.4 | 68.7 | 0 | 0 | 0 | 107.7 | Y132 D135 C138 V201 R202 Y204 | Y132-L152 HydrophobicContact CE1-CB 4.37Å; Y132-L152 HydrophobicContact CE1-CG 4.24Å; D135-L152 HydrophobicContact CB-CD2 3.51Å; D135-L152 VanDerWaalsContact CG-CD2 3.48Å; C138-L152 HydrophobicContact CB-CD1 3.98Å; C138-L152 HydrophobicContact CB-CG 4.04Å; L152-V201 CarbonylContact O-C 3.55Å; L152-V201 WeakPolarHBondContact O-CA 3.35Å; L152-R202 HydrophobicContact CB-CB 4.27Å; L152-R202 PolarHBondContact N-O 2.82Å; L152-R202 PolarHBondContact O-N 3.28Å; L152-Y204 HydrophobicContact CD1-CD2 3.74Å; L152-Y204 HydrophobicContact CD1-CE2 3.91Å; L152-Y204 HydrophobicContact CD2-CE2 4.06Å; L152-Y204 HydrophobicContact CG-CE2 4.48Å |
| 153 | G | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | -165.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T157 | G153-T157 PolarHBondContact N-O 3.18Å; G153-T157 PolarHBondContact O-N 3.12Å |
| 154 | P | 88 | Confident | 90.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 163.6 | -169.1 | -18.4 | 30.9 | 0 | 0 | 0 | 113.6 | H156 T157 I178 C180 L182 C195 V199 | P154-H156 PolarHBondContact O-N 2.85Å; P154-T157 VanDerWaalsContact O-CB 3.27Å; P154-T157 WeakPolarHBondContact O-CB 3.49Å; P154-T157 PolarHBondContact O-N 3.4Å; P154-T157 VanDerWaalsContact O-N 3.15Å; P154-T157 PolarHBondContact O-OG1 3.33Å; P154-I178 WeakPolarHBondContact CA-O 3.21Å; P154-I178 WeakPolarHBondContact CB-O 3.34Å; P154-I178 HydrophobicContact CG-CB 4.39Å; P154-C180 WeakPolarHBondContact CB-O 3.38Å; P154-C180 WeakPolarHBondContact CG-SG 3.43Å; P154-L182 HydrophobicContact CB-CG 4.47Å; P154-C195 VanDerWaalsContact CB-SG 3.51Å; P154-C195 VanDerWaalsContact CG-SG 3.57Å; P154-V199 HydrophobicContact CG-CG2 3.43Å; P154-V199 VanDerWaalsContact CG-CG2 3.43Å |
| 155 | S | 80.2 | Confident | 90.5 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 34.4 | -178.1 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | T157 C180 T181 | S155-T157 PolarHBondContact O-N 2.7Å; S155-C180 PolarHBondContact OG-O 2.73Å; S155-T181 WeakPolarHBondContact OG-CA 3.19Å |
| 156 | H | 84.6 | Confident | 90.6 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.3 | -176.4 | -62.1 | -83.1 | 0 | 0 | 0 | 113.8 | E131 Y132 P154 | E131-H156 CarbonylContact C-O 3.49Å; E131-H156 VanDerWaalsContact CA-O 3.29Å; E131-H156 WeakPolarHBondContact CA-O 3.25Å; Y132-H156 HydrophobicContact CD1-CB 4.16Å; Y132-H156 WeakPolarHBondContact CD1-O 3.23Å; Y132-H156 HydrophobicContact CD2-CB 4.25Å; Y132-H156 AromaticContact CD2-ND1 3.85Å; Y132-H156 HydrophobicContact CE1-CB 4.11Å; Y132-H156 WeakPolarHBondContact CE1-O 3.34Å; Y132-H156 HydrophobicContact CE2-CB 4.25Å; Y132-H156 AromaticContact CE2-ND1 3.35Å; Y132-H156 WeakPolarHBondContact CE2-ND1 3.26Å; Y132-H156 HydrophobicContact CG-CB 4.26Å; Y132-H156 AromaticContact CZ-ND1 3.76Å; Y132-H156 PolarHBondContact N-O 3.39Å; P154-H156 PolarHBondContact O-N 2.85Å |
| 157 | T | 88.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | -179.1 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | G153 P154 S155 W159 | G153-T157 PolarHBondContact N-O 3.18Å; G153-T157 PolarHBondContact O-N 3.12Å; P154-T157 VanDerWaalsContact O-CB 3.27Å; P154-T157 WeakPolarHBondContact O-CB 3.49Å; P154-T157 PolarHBondContact O-N 3.4Å; P154-T157 VanDerWaalsContact O-N 3.15Å; P154-T157 PolarHBondContact O-OG1 3.33Å; S155-T157 PolarHBondContact O-N 2.7Å; T157-W159 HydrophobicContact CG2-CD2 4.09Å; T157-W159 HydrophobicContact CG2-CE3 4.2Å; T157-W159 HydrophobicContact CG2-CH2 3.41Å; T157-W159 VanDerWaalsContact CG2-CH2 3.41Å; T157-W159 HydrophobicContact CG2-CZ2 3.26Å; T157-W159 HydrophobicContact CG2-CZ3 3.89Å |
| 158 | C | 90.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.8 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | S129 S130 Y132 C138 W151 | S129-C158 WeakPolarHBondContact CA-O 3.49Å; S130-C158 PolarHBondContact N-O 3.38Å; S130-C158 VanDerWaalsContact O-CB 3.31Å; S130-C158 WeakPolarHBondContact O-CB 3.41Å; S130-C158 PolarHBondContact O-N 3.35Å; Y132-C158 HydrophobicContact CD1-CB 3.95Å; C138-C158 WeakPolarHBondContact CA-SG 3.26Å; C138-C158 HydrophobicContact CB-CB 3.6Å; C138-C158 WeakPolarHBondContact CB-SG 3.36Å; C138-C158 VanDerWaalsContact SG-CA 3.55Å; C138-C158 WeakPolarHBondContact SG-CB 3.28Å; C138-C158 CovalentContact SG-SG 2.03Å; C138-C158 PolarHBondContact SG-SG 2.98Å; W151-C158 WeakPolarHBondContact O-CA 3.31Å |
| 159 | W | 91.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.4 | 167.4 | -55.8 | -92.9 | 0 | 0 | 0 | 110.3 | L124 V127 W151 T157 M161 L182 V201 | L124-W159 HydrophobicContact CD1-CH2 4.07Å; L124-W159 HydrophobicContact CD1-CZ2 3.86Å; L124-W159 HydrophobicContact CD2-CD2 4.21Å; L124-W159 HydrophobicContact CD2-CZ2 4.16Å; L124-W159 HydrophobicContact CG-CZ2 4.41Å; V127-W159 HydrophobicContact CG1-CB 4.42Å; V127-W159 HydrophobicContact CG1-CG 4.32Å; W151-W159 HydrophobicContact CB-CB 4.05Å; W151-W159 HydrophobicContact CB-CE3 4.28Å; W151-W159 WeakPolarHBondContact CB-O 3.48Å; W151-W159 PolarHBondContact N-O 3.23Å; W151-W159 PolarHBondContact O-N 2.68Å; T157-W159 HydrophobicContact CG2-CD2 4.09Å; T157-W159 HydrophobicContact CG2-CE3 4.2Å; T157-W159 HydrophobicContact CG2-CH2 3.41Å; T157-W159 VanDerWaalsContact CG2-CH2 3.41Å; T157-W159 HydrophobicContact CG2-CZ2 3.26Å; T157-W159 HydrophobicContact CG2-CZ3 3.89Å; W159-M161 HydrophobicContact CB-CG 4.3Å; W159-L182 HydrophobicContact CH2-CD1 3.99Å; W159-L182 HydrophobicContact CZ2-CD1 4.32Å; W159-V201 HydrophobicContact CZ3-CG2 4.46Å |
| 160 | C | 90.7 | Very high | 90.8 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 109 | C142 I147 Y149 Q363 | C142-C160 WeakPolarHBondContact CA-SG 3.38Å; C142-C160 HydrophobicContact CB-CB 3.66Å; C142-C160 WeakPolarHBondContact CB-SG 3Å; C142-C160 WeakPolarHBondContact SG-CA 3.14Å; C142-C160 WeakPolarHBondContact SG-CB 3.32Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.93Å; I147-C160 HydrophobicContact CB-CB 4.07Å; I147-C160 HydrophobicContact CD1-CB 3.36Å; I147-C160 HydrophobicContact CG1-CB 4.3Å; I147-C160 VanDerWaalsContact CG2-C 3.49Å; I147-C160 HydrophobicContact CG2-CB 3.79Å; Y149-C160 WeakPolarHBondContact O-CA 3.41Å; C160-Q363 PolarHBondContact SG-NE2 3.31Å |
| 161 | M | 90.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 54 Ų | 54 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.9 | -169.6 | -61.9 | -81.3 | 86.5 | 0 | 0 | 112.1 | V127 I147 Y149 W151 W159 | V127-M161 HydrophobicContact CG1-CE 3.24Å; V127-M161 HydrophobicContact CG1-SD 3.84Å; I147-M161 VanDerWaalsContact CG2-C 3.47Å; I147-M161 VanDerWaalsContact CG2-N 3.35Å; I147-M161 VanDerWaalsContact CG2-O 3.24Å; I147-M161 WeakPolarHBondContact CG2-O 3.41Å; Y149-M161 WeakPolarHBondContact CB-O 3.42Å; Y149-M161 WeakPolarHBondContact CD2-O 3.3Å; Y149-M161 PolarHBondContact N-O 3.3Å; Y149-M161 PolarHBondContact O-N 3.5Å; W151-M161 HydrophobicContact CD2-CB 4.28Å; W151-M161 HydrophobicContact CD2-CG 3.67Å; W151-M161 HydrophobicContact CE3-CG 4.08Å; W151-M161 HydrophobicContact CG-CB 4.49Å; W151-M161 HydrophobicContact CG-CG 4.02Å; W151-M161 HydrophobicContact CH2-CG 4.23Å; W151-M161 HydrophobicContact CH2-SD 4.49Å; W151-M161 HydrophobicContact CZ2-CB 3.95Å; W151-M161 HydrophobicContact CZ2-CG 3.85Å; W151-M161 HydrophobicContact CZ3-CG 4.35Å; W159-M161 HydrophobicContact CB-CG 4.3Å |
| 162 | M | 90.5 | Very high | 90.9 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -86.7 | -19.3 | 175.8 | -72.8 | -56.2 | -56.5 | 0 | 0 | 113.4 | I147 A148 P210 | I147-M162 HydrophobicContact CB-SD 4.36Å; I147-M162 HydrophobicContact CG2-SD 3.95Å; A148-M162 HydrophobicContact CB-CE 4.14Å; A148-M162 HydrophobicContact CB-SD 4.31Å; M162-P210 HydrophobicContact CE-CG 3.73Å; M162-P210 HydrophobicContact SD-CG 4.26Å |
| 163 | Q | 91.5 | Very high | 90.8 | Very high | 159 Ų | 159 | 61.4 Ų | 61.4 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -119.5 | 148 | -177.4 | -66.2 | -178.9 | -8.6 | 0 | 0 | 110.2 | W151 | W151-Q163 WeakPolarHBondContact CZ2-O 3.24Š|
| 164 | L | 93 | Very high | 90.8 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 151.5 | 170.1 | -75.1 | 171.5 | 0 | 0 | 0 | 110.8 | V114 Y149 V203 | V114-L164 HydrophobicContact CG1-CD1 4.42Å; V114-L164 HydrophobicContact CG1-CD2 3.89Å; Y149-L164 HydrophobicContact CD1-CD2 3.53Å; Y149-L164 HydrophobicContact CD1-CG 4.18Å; Y149-L164 HydrophobicContact CD2-CD2 4.3Å; Y149-L164 HydrophobicContact CD2-CG 4.33Å; Y149-L164 HydrophobicContact CE1-CD1 4.09Å; Y149-L164 HydrophobicContact CE1-CD2 3.45Å; Y149-L164 VanDerWaalsContact CE1-CD2 3.45Å; Y149-L164 HydrophobicContact CE1-CG 3.69Å; Y149-L164 HydrophobicContact CE2-CD2 4.24Å; Y149-L164 HydrophobicContact CE2-CG 3.86Å; Y149-L164 HydrophobicContact CG-CD2 3.98Å; Y149-L164 HydrophobicContact CG-CG 4.48Å; L164-V203 HydrophobicContact CD2-CG1 3.76Å |
| 165 | P | 91.9 | Very high | 91 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -58 | 154.3 | 163 | -15.5 | 29.2 | 0 | 0 | 0 | 110.6 | F117 I119 W151 E167 V203 | F117-P165 HydrophobicContact CB-CB 3.94Å; F117-P165 HydrophobicContact CB-CG 3.83Å; F117-P165 HydrophobicContact CD1-CB 3.64Å; F117-P165 HydrophobicContact CD1-CG 3.93Å; F117-P165 HydrophobicContact CD2-CG 3.91Å; F117-P165 HydrophobicContact CE1-CB 4.25Å; F117-P165 HydrophobicContact CE1-CG 4.45Å; F117-P165 HydrophobicContact CE2-CG 4.45Å; F117-P165 HydrophobicContact CG-CB 3.8Å; F117-P165 HydrophobicContact CG-CG 3.62Å; I119-P165 HydrophobicContact CD1-CB 3.67Å; I119-P165 HydrophobicContact CD1-CG 3.79Å; W151-P165 HydrophobicContact CH2-CB 4.36Å; W151-P165 HydrophobicContact CH2-CG 3.64Å; W151-P165 HydrophobicContact CZ2-CB 4.46Å; W151-P165 HydrophobicContact CZ2-CG 3.45Å; W151-P165 VanDerWaalsContact CZ2-CG 3.45Å; W151-P165 HydrophobicContact CZ3-CG 4.29Å; P165-E167 PolarHBondContact O-N 3.04Å; P165-V203 HydrophobicContact CG-CG2 4.16Å |
| 166 | K | 92 | Very high | 91.5 | Very high | 156 Ų | 156 | 71.8 Ų | 71.8 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 135.2 | 173.2 | -65.7 | -175.5 | 178.4 | -176.4 | 0 | 110.1 | S168 R169 | K166-S168 PolarHBondContact O-N 3.44Å; K166-S168 VanDerWaalsContact O-N 3.11Å; K166-R169 WeakPolarHBondContact O-CB 3.34Å; K166-R169 PolarHBondContact O-N 3.1Å |
| 167 | E | 90.2 | Very high | 91.6 | Very high | 174 Ų | 174 | 71.9 Ų | 71.9 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -55.6 | -31.4 | -179.1 | -70.9 | -176.1 | 168.1 | 0 | 0 | 113.5 | P165 R169 S170 | P165-E167 PolarHBondContact O-N 3.04Å; E167-R169 PolarHBondContact O-N 2.89Å; E167-S170 WeakPolarHBondContact O-CB 3.5Å; E167-S170 PolarHBondContact O-N 3.44Å |
| 168 | S | 92.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 72.7 Ų | 72.7 | 78% | 0.783 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -61.9 | -11.7 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | K166 | K166-S168 PolarHBondContact O-N 3.44Å; K166-S168 VanDerWaalsContact O-N 3.11Å |
| 169 | R | 93.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -97.3 | -2.1 | 175.4 | -65.5 | 176.6 | 171.4 | -164.1 | 0.4 | 113.1 | F117 L118 D123 K166 E167 | F117-R169 CarbonylContact C-O 3.58Å; F117-R169 VanDerWaalsContact CA-O 3.3Å; F117-R169 WeakPolarHBondContact CA-O 2.86Å; L118-R169 PolarHBondContact N-O 3.47Å; L118-R169 WeakPolarHBondContact O-CB 3.35Å; L118-R169 VanDerWaalsContact O-CD 3.32Å; L118-R169 WeakPolarHBondContact O-CD 3.25Å; D123-R169 IonicContact OD2-CZ 2.79Å; D123-R169 IonicContact OD2-NH1 3.91Å; D123-R169 PolarHBondContact OD2-NH1 3.43Å; D123-R169 IonicContact OD2-NH2 2.7Å; D123-R169 PolarHBondContact OD2-NH2 3.21Å; K166-R169 WeakPolarHBondContact O-CB 3.34Å; K166-R169 PolarHBondContact O-N 3.1Å; E167-R169 PolarHBondContact O-N 2.89Å |
| 170 | S | 96 | Very high | 91.1 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 47% | 0.469 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 137.5 | 179 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | C116 E167 | C116-S170 CarbonylContact O-C 3.57Å; C116-S170 WeakPolarHBondContact O-CA 3.4Å; E167-S170 WeakPolarHBondContact O-CB 3.5Å; E167-S170 PolarHBondContact O-N 3.44Å |
| 171 | I | 95.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 77.3 Ų | 77.3 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153 | 176.1 | 56.7 | 165.4 | 0 | 0 | 0 | 111.1 | C116 L118 Q175 | C116-I171 HydrophobicContact CB-CG1 3.98Å; C116-I171 PolarHBondContact O-N 3.28Å; L118-I171 HydrophobicContact CD1-CG2 3.59Å; L118-I171 HydrophobicContact CD2-CD1 3.98Å; L118-I171 HydrophobicContact CG-CD1 4.01Å; L118-I171 HydrophobicContact CG-CG1 4.4Å; L118-I171 HydrophobicContact CG-CG2 3.68Å; I171-Q175 HydrophobicContact CD1-CB 4.34Å |
| 172 | P | 94.3 | Very high | 90.2 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | trans | -57.5 | 143.6 | 174.5 | -23.4 | 33.9 | 0 | 0 | 0 | 112.1 | S174 Q175 C176 | P172-S174 PolarHBondContact O-N 2.92Å; P172-S174 VanDerWaalsContact O-N 3.11Å; P172-Q175 PolarHBondContact O-N 3.03Å; P172-C176 PolarHBondContact O-N 2.89Å | ||
| 173 | L | 91.5 | Very high | 89.2 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 55% | 0.55 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -57 | -30.8 | -179.8 | -175.1 | 63.5 | 0 | 0 | 0 | 112.9 | F113 Q175 C176 | F113-L173 HydrophobicContact CE1-CD1 3.97Å; F113-L173 HydrophobicContact CE1-CD2 4.5Å; F113-L173 HydrophobicContact CZ-CD1 3.68Å; L173-Q175 PolarHBondContact O-N 3.15Å; L173-C176 HydrophobicContact CD1-CB 4.1Å; L173-C176 WeakPolarHBondContact O-CB 3.41Å; L173-C176 PolarHBondContact O-N 3.42Å |
| 174 | S | 91.4 | Very high | 88 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 80% | 0.797 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -63 | -23.5 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | P172 | P172-S174 PolarHBondContact O-N 2.92Å; P172-S174 VanDerWaalsContact O-N 3.11Å |
| 175 | Q | 90.8 | Very high | 86.3 | Confident | 122 Ų | 122 | 75 Ų | 75 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -98.2 | -2.3 | 176.8 | -61.7 | 177.7 | 2.7 | 0 | 0 | 112.2 | I171 P172 L173 N177 | I171-Q175 HydrophobicContact CD1-CB 4.34Å; P172-Q175 PolarHBondContact O-N 3.03Å; L173-Q175 PolarHBondContact O-N 3.15Å; Q175-N177 VanDerWaalsContact C-N 3.3Å; Q175-N177 PolarHBondContact O-N 3.48Å |
| 176 | C | 90.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | trans | -79.4 | 74.7 | -174.8 | -167 | 0 | 0 | 0 | 0 | 112.2 | C116 P172 L173 R202 | C116-C176 HydrophobicContact CB-CB 3.45Å; C116-C176 VanDerWaalsContact CB-CB 3.45Å; C116-C176 WeakPolarHBondContact CB-SG 3.32Å; C116-C176 VanDerWaalsContact SG-CA 3.52Å; C116-C176 WeakPolarHBondContact SG-CB 3.39Å; C116-C176 CovalentContact SG-SG 2.01Å; C116-C176 PolarHBondContact SG-SG 3.34Å; P172-C176 PolarHBondContact O-N 2.89Å; L173-C176 HydrophobicContact CD1-CB 4.1Å; L173-C176 WeakPolarHBondContact O-CB 3.41Å; L173-C176 PolarHBondContact O-N 3.42Å; C176-R202 WeakPolarHBondContact SG-CG 3.29Å | ||
| 177 | N | 87.7 | Confident | 82 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | trans | -92.2 | 113.6 | 179 | -170 | 6.8 | 0 | 0 | 0 | 111.9 | Q175 T179 S200 | Q175-N177 VanDerWaalsContact C-N 3.3Å; Q175-N177 PolarHBondContact O-N 3.48Å; N177-T179 PolarHBondContact ND2-OG1 3.5Å; N177-T179 WeakPolarHBondContact OD1-CB 3.28Å; N177-T179 PolarHBondContact OD1-N 3.37Å; N177-T179 PolarHBondContact OD1-OG1 3.11Å; N177-S200 WeakPolarHBondContact O-CB 3.49Å | ||
| 178 | I | 87.6 | Confident | 80 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.092 | 44% | 0.437 | C | S | . | . | trans | -107.2 | 12.8 | 174.9 | 64.8 | 171.1 | 0 | 0 | 0 | 113 | P154 C180 S200 R202 | P154-I178 WeakPolarHBondContact CA-O 3.21Å; P154-I178 WeakPolarHBondContact CB-O 3.34Å; P154-I178 HydrophobicContact CG-CB 4.39Å; I178-C180 VanDerWaalsContact C-N 3.28Å; I178-C180 PolarHBondContact O-N 3.44Å; I178-S200 WeakPolarHBondContact CG2-O 3.19Å; I178-R202 HydrophobicContact CG2-CG 4.4Å | ||
| 179 | T | 84.9 | Confident | 78 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -88 | 22.7 | -176.4 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | N177 N192 | N177-T179 PolarHBondContact ND2-OG1 3.5Å; N177-T179 WeakPolarHBondContact OD1-CB 3.28Å; N177-T179 PolarHBondContact OD1-N 3.37Å; N177-T179 PolarHBondContact OD1-OG1 3.11Å; T179-N192 WeakPolarHBondContact O-CB 3.29Å; T179-N192 PolarHBondContact O-ND2 2.79Å; T179-N192 PolarHBondContact O-OD1 3.07Å | ||
| 180 | C | 86.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.054 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -100.7 | 171.8 | 178.8 | 63 | 0 | 0 | 0 | 0 | 112.6 | P154 S155 I178 P193 C195 | P154-C180 WeakPolarHBondContact CB-O 3.38Å; P154-C180 WeakPolarHBondContact CG-SG 3.43Å; S155-C180 PolarHBondContact OG-O 2.73Å; I178-C180 VanDerWaalsContact C-N 3.28Å; I178-C180 PolarHBondContact O-N 3.44Å; C180-P193 WeakPolarHBondContact CA-O 3.31Å; C180-P193 WeakPolarHBondContact CB-O 3.3Å; C180-C195 HydrophobicContact CB-CB 3.9Å; C180-C195 WeakPolarHBondContact CB-SG 3.14Å; C180-C195 WeakPolarHBondContact SG-CA 3.24Å; C180-C195 WeakPolarHBondContact SG-CB 3.36Å; C180-C195 CovalentContact SG-SG 2.03Å; C180-C195 PolarHBondContact SG-SG 3.48Å |
| 181 | T | 83.4 | Confident | 74.8 | Confident | 23 Ų | 23 | 80.7 Ų | 80.7 | 14% | 0.141 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -108.8 | 125 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | S155 N192 P193 V194 C195 | S155-T181 WeakPolarHBondContact OG-CA 3.19Å; T181-N192 WeakPolarHBondContact OG1-CB 3.46Å; T181-P193 PolarHBondContact N-O 2.87Å; T181-V194 CarbonylContact O-C 3.59Å; T181-V194 WeakPolarHBondContact O-CA 3.25Å; T181-C195 PolarHBondContact N-SG 3.36Å; T181-C195 VanDerWaalsContact N-SG 3.45Å; T181-C195 PolarHBondContact O-N 2.94Å |
| 182 | L | 79 | Confident | 73.7 | Confident | 13 Ų | 13 | 82.9 Ų | 82.9 | 7% | 0.068 | 49% | 0.485 | C | S | . | . | trans | -77.1 | 134.7 | 177.1 | -74.7 | 165.7 | 0 | 0 | 0 | 110.5 | P154 W159 G184 H185 C195 V199 | P154-L182 HydrophobicContact CB-CG 4.47Å; W159-L182 HydrophobicContact CH2-CD1 3.99Å; W159-L182 HydrophobicContact CZ2-CD1 4.32Å; L182-G184 PolarHBondContact O-N 2.96Å; L182-H185 PolarHBondContact O-N 3.26Å; L182-C195 HydrophobicContact CD2-CB 3.95Å; L182-C195 HydrophobicContact CG-CB 4.48Å; L182-V199 HydrophobicContact CD2-CG1 4.44Å; L182-V199 HydrophobicContact CD2-CG2 4.28Å | ||
| 183 | E | 70.2 | Confident | 73.1 | Confident | 159 Ų | 159 | 83.8 Ų | 83.8 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 131.4 | 174.6 | -75.5 | -173.5 | 154.6 | 0 | 0 | 111.2 | V194 | E183-V194 HydrophobicContact CG-CG1 3.78Š|
| 184 | G | 65.4 | Low | 72.8 | Confident | 87 Ų | 87 | 83.2 Ų | 83.2 | 90% | 0.897 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -16.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L182 | L182-G184 PolarHBondContact O-N 2.96Š|
| 185 | H | 57.6 | Low | 72.6 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 31% | 0.31 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -87.1 | 107.3 | 166 | -79 | -90 | 0 | 0 | 0 | 108.2 | L182 F187 | L182-H185 PolarHBondContact O-N 3.26Å; H185-F187 PolarHBondContact O-N 2.87Å |
| 186 | G | 48.5 | Very low | 72.5 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | trans | -49.6 | 131.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | G188 | G186-G188 PolarHBondContact O-N 3.37Š| ||
| 187 | F | 44.4 | Very low | 72.4 | Confident | 215 Ų | 215 | 80.6 Ų | 80.6 | 94% | 0.943 | 48% | 0.477 | S | S | * | . | trans | 23 | 79.5 | 170.4 | -61.8 | -81.2 | 0 | 0 | 0 | 114.6 | H185 | H185-F187 PolarHBondContact O-N 2.87Š| ||
| 188 | G | 50.2 | Low | 72.6 | Confident | 19 Ų | 19 | 78.7 Ų | 78.7 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | trans | -51.1 | 151.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G186 N190 | G186-G188 PolarHBondContact O-N 3.37Å; G188-N190 PolarHBondContact O-N 2.72Å | ||
| 189 | P | 50.6 | Low | 72.9 | Confident | 84 Ų | 84 | 77.9 Ų | 77.9 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -57.9 | 117.6 | -176 | 23 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 190 | N | 54.9 | Low | 73.3 | Confident | 144 Ų | 144 | 74.6 Ų | 74.6 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 46 | 101.9 | 165.2 | -61.5 | -21.9 | 0 | 0 | 0 | 117.1 | G188 N192 | G188-N190 PolarHBondContact O-N 2.72Å; N190-N192 VanDerWaalsContact C-N 3.27Å; N190-N192 PolarHBondContact O-N 2.82Å |
| 191 | N | 66 | Low | 73.7 | Confident | 173 Ų | 173 | 74.2 Ų | 74.2 | 93% | 0.925 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 59.6 | 12.9 | 158.1 | -70.6 | -4.2 | 0 | 0 | 0 | 118.8 | ||
| 192 | N | 73.8 | Confident | 74.2 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -65 | 139.8 | 174.2 | -75.7 | -17.9 | 0 | 0 | 0 | 111.3 | T179 T181 N190 | T179-N192 WeakPolarHBondContact O-CB 3.29Å; T179-N192 PolarHBondContact O-ND2 2.79Å; T179-N192 PolarHBondContact O-OD1 3.07Å; T181-N192 WeakPolarHBondContact OG1-CB 3.46Å; N190-N192 VanDerWaalsContact C-N 3.27Å; N190-N192 PolarHBondContact O-N 2.82Å |
| 193 | P | 80.7 | Confident | 75 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 153.5 | 177.4 | 28.7 | -34.4 | 0 | 0 | 0 | 110.9 | C180 T181 C195 | C180-P193 WeakPolarHBondContact CA-O 3.31Å; C180-P193 WeakPolarHBondContact CB-O 3.3Å; T181-P193 PolarHBondContact N-O 2.87Å; P193-C195 PolarHBondContact O-N 2.94Å |
| 194 | V | 84.7 | Confident | 76.2 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 56% | 0.564 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -60.7 | 136.2 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | T181 E183 | T181-V194 CarbonylContact O-C 3.59Å; T181-V194 WeakPolarHBondContact O-CA 3.25Å; E183-V194 HydrophobicContact CG-CG1 3.78Å |
| 195 | C | 87.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 134.8 | 179.5 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | P154 C180 T181 L182 P193 V199 | P154-C195 VanDerWaalsContact CB-SG 3.51Å; P154-C195 VanDerWaalsContact CG-SG 3.57Å; C180-C195 HydrophobicContact CB-CB 3.9Å; C180-C195 WeakPolarHBondContact CB-SG 3.14Å; C180-C195 WeakPolarHBondContact SG-CA 3.24Å; C180-C195 WeakPolarHBondContact SG-CB 3.36Å; C180-C195 CovalentContact SG-SG 2.03Å; C180-C195 PolarHBondContact SG-SG 3.48Å; T181-C195 PolarHBondContact N-SG 3.36Å; T181-C195 VanDerWaalsContact N-SG 3.45Å; T181-C195 PolarHBondContact O-N 2.94Å; L182-C195 HydrophobicContact CD2-CB 3.95Å; L182-C195 HydrophobicContact CG-CB 4.48Å; P193-C195 PolarHBondContact O-N 2.94Å; C195-V199 HydrophobicContact CB-CG2 3.83Å |
| 196 | P | 87.9 | Confident | 79.2 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -69 | 153.1 | 170.3 | 31 | -34.4 | 0 | 0 | 0 | 110.5 | H121 P198 V199 | H121-P196 PolarHBondContact NE2-O 3.36Å; P196-P198 CarbonylContact O-C 3.5Å; P196-P198 VanDerWaalsContact O-O 3.12Å; P196-V199 WeakPolarHBondContact O-CA 3.05Å; P196-V199 PolarHBondContact O-N 3.43Å |
| 197 | D | 88.8 | Confident | 81.2 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -103.3 | 117.7 | 167.6 | -171.2 | 14.8 | 0 | 0 | 0 | 108.8 | R120 H121 | R120-D197 WeakPolarHBondContact CA-OD1 3.33Å; H121-D197 IonicContact CD2-OD1 3.87Å; H121-D197 IonicContact CG-OD1 3.2Å; H121-D197 PolarHBondContact N-OD1 3.13Å |
| 198 | P | 92.7 | Very high | 83.4 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | S | Bend | cis | -78.5 | 154.8 | 4 | 33.3 | -36.2 | 0 | 0 | 0 | 114.4 | L118 I119 R120 P196 | L118-P198 HydrophobicContact CB-CB 3.97Å; L118-P198 HydrophobicContact CB-CG 3.86Å; L118-P198 HydrophobicContact CD1-CG 4.18Å; L118-P198 HydrophobicContact CD2-CG 4.3Å; L118-P198 HydrophobicContact CG-CG 4.34Å; I119-P198 CarbonylContact O-C 3.58Å; I119-P198 WeakPolarHBondContact O-CA 2.88Å; I119-P198 WeakPolarHBondContact O-CB 3.48Å; R120-P198 HydrophobicContact CG-CB 4.24Å; P196-P198 CarbonylContact O-C 3.5Å; P196-P198 VanDerWaalsContact O-O 3.12Å |
| 199 | V | 92.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 145.7 | -178.2 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | L118 I119 L124 P154 L182 C195 P196 V201 | L118-V199 CarbonylContact C-O 3.57Å; L118-V199 WeakPolarHBondContact CA-O 3.37Å; I119-V199 PolarHBondContact N-O 3.32Å; I119-V199 WeakPolarHBondContact O-CG1 3.48Å; I119-V199 PolarHBondContact O-N 3.06Å; L124-V199 HydrophobicContact CD1-CG1 3.94Å; P154-V199 HydrophobicContact CG-CG2 3.43Å; P154-V199 VanDerWaalsContact CG-CG2 3.43Å; L182-V199 HydrophobicContact CD2-CG1 4.44Å; L182-V199 HydrophobicContact CD2-CG2 4.28Å; C195-V199 HydrophobicContact CB-CG2 3.83Å; P196-V199 WeakPolarHBondContact O-CA 3.05Å; P196-V199 PolarHBondContact O-N 3.43Å; V199-V201 HydrophobicContact CG1-CG2 4.33Å |
| 200 | S | 93.9 | Very high | 86.9 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 138.9 | 176 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | F117 N177 I178 | F117-S200 CarbonylContact O-C 3.49Å; F117-S200 WeakPolarHBondContact O-CA 3.38Å; N177-S200 WeakPolarHBondContact O-CB 3.49Å; I178-S200 WeakPolarHBondContact CG2-O 3.19Å |
| 201 | V | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 129.3 | 176.8 | 179 | 0 | 0 | 0 | 0 | 109.4 | C116 F117 I119 W151 L152 W159 V199 V203 | C116-V201 WeakPolarHBondContact CA-O 3.49Å; C116-V201 PolarHBondContact SG-O 3.25Å; F117-V201 PolarHBondContact N-O 3.19Å; F117-V201 PolarHBondContact O-N 3.31Å; I119-V201 HydrophobicContact CB-CG2 4.19Å; I119-V201 HydrophobicContact CG1-CB 4.07Å; I119-V201 HydrophobicContact CG1-CG2 3.74Å; W151-V201 HydrophobicContact CB-CG1 3.59Å; W151-V201 HydrophobicContact CD2-CG1 4.27Å; W151-V201 HydrophobicContact CE3-CG1 4.15Å; W151-V201 HydrophobicContact CG-CG1 4.07Å; L152-V201 CarbonylContact O-C 3.55Å; L152-V201 WeakPolarHBondContact O-CA 3.35Å; W159-V201 HydrophobicContact CZ3-CG2 4.46Å; V199-V201 HydrophobicContact CG1-CG2 4.33Å; V201-V203 HydrophobicContact CG1-CG2 4.26Å |
| 202 | R | 95 | Very high | 89.5 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 25% | 0.249 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.4 | 172.5 | -68.8 | -180 | -172.3 | 168 | 2.3 | 109.6 | F113 D135 W151 L152 C176 I178 Y204 | F113-R202 HydrophobicContact CE2-CB 4.04Å; F113-R202 HydrophobicContact CE2-CG 4.29Å; D135-R202 IonicContact OD2-NH1 2.74Å; W151-R202 CarbonylContact C-O 3.6Å; W151-R202 WeakPolarHBondContact CA-O 3.34Å; L152-R202 HydrophobicContact CB-CB 4.27Å; L152-R202 PolarHBondContact N-O 2.82Å; L152-R202 PolarHBondContact O-N 3.28Å; C176-R202 WeakPolarHBondContact SG-CG 3.29Å; I178-R202 HydrophobicContact CG2-CG 4.4Å; R202-Y204 HydrophobicContact CB-CE2 3.86Å |
| 203 | V | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.9 | -177 | 179.8 | 0 | 0 | 0 | 0 | 110 | F113 V114 G115 F117 Y149 S150 W151 L164 P165 V201 | F113-V203 WeakPolarHBondContact CD2-O 3.43Å; V114-V203 HydrophobicContact CB-CB 4.49Å; V114-V203 HydrophobicContact CB-CG1 4.25Å; V114-V203 WeakPolarHBondContact CB-O 3.07Å; V114-V203 HydrophobicContact CG2-CG1 4.5Å; V114-V203 PolarHBondContact N-O 2.97Å; G115-V203 PolarHBondContact N-O 3.06Å; G115-V203 PolarHBondContact O-N 3.38Å; F117-V203 HydrophobicContact CD2-CB 3.98Å; F117-V203 HydrophobicContact CD2-CG2 3.53Å; F117-V203 HydrophobicContact CE2-CB 3.91Å; F117-V203 HydrophobicContact CE2-CG2 3.96Å; Y149-V203 HydrophobicContact CD1-CG1 4.32Å; S150-V203 WeakPolarHBondContact O-CA 3.39Å; W151-V203 HydrophobicContact CD2-CG2 4.16Å; W151-V203 HydrophobicContact CG-CG2 3.92Å; L164-V203 HydrophobicContact CD2-CG1 3.76Å; P165-V203 HydrophobicContact CG-CG2 4.16Å; V201-V203 HydrophobicContact CG1-CG2 4.26Å |
| 204 | Y | 94.8 | Very high | 91 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.1 | 175.1 | -60 | -106.4 | 0 | 0 | 0 | 109.3 | S112 F113 Y149 S150 L152 R202 | S112-Y204 CarbonylContact O-C 3.56Å; S112-Y204 WeakPolarHBondContact O-CA 3.43Å; F113-Y204 HydrophobicContact CB-CD1 3.9Å; F113-Y204 HydrophobicContact CB-CE1 3.8Å; F113-Y204 AromaticContact CD2-CD1 4Å; F113-Y204 HydrophobicContact CD2-CD1 4Å; F113-Y204 HydrophobicContact CD2-CD2 4.28Å; F113-Y204 AromaticContact CD2-CE1 3.63Å; F113-Y204 HydrophobicContact CD2-CE1 3.63Å; F113-Y204 AromaticContact CD2-CE2 3.94Å; F113-Y204 HydrophobicContact CD2-CE2 3.94Å; F113-Y204 HydrophobicContact CD2-CG 4.31Å; F113-Y204 AromaticContact CD2-CZ 3.59Å; F113-Y204 HydrophobicContact CE2-CE2 4.36Å; F113-Y204 HydrophobicContact CG-CD1 4.47Å; F113-Y204 HydrophobicContact CG-CE1 4.15Å; Y149-Y204 CarbonylContact C-O 3.59Å; Y149-Y204 VanDerWaalsContact CA-O 3.25Å; Y149-Y204 WeakPolarHBondContact CA-O 3.42Å; S150-Y204 PolarHBondContact N-O 2.8Å; S150-Y204 PolarHBondContact O-N 2.62Å; L152-Y204 HydrophobicContact CD1-CD2 3.74Å; L152-Y204 HydrophobicContact CD1-CE2 3.91Å; L152-Y204 HydrophobicContact CD2-CE2 4.06Å; L152-Y204 HydrophobicContact CG-CE2 4.48Å; R202-Y204 HydrophobicContact CB-CE2 3.86Å |
| 205 | A | 93.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P111 S112 V114 Y149 K207 | P111-A205 VanDerWaalsContact CA-O 3.28Å; P111-A205 WeakPolarHBondContact CA-O 3.28Å; P111-A205 VanDerWaalsContact CB-O 3.28Å; P111-A205 WeakPolarHBondContact CB-O 3.48Å; S112-A205 PolarHBondContact N-O 3.14Å; S112-A205 VanDerWaalsContact N-O 3.11Å; S112-A205 PolarHBondContact O-N 3.36Å; V114-A205 HydrophobicContact CG2-CB 3.69Å; Y149-A205 HydrophobicContact CD1-CB 4.09Å; Y149-A205 HydrophobicContact CE1-CB 3.98Å; A205-K207 PolarHBondContact O-N 3.27Å |
| 206 | T | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -75.2 | -17.6 | -177.7 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | L139 C142 R143 I147 A148 A208 | L139-T206 HydrophobicContact CD1-CG2 4.19Å; C142-T206 HydrophobicContact CB-CG2 4.01Å; R143-T206 HydrophobicContact CB-CG2 4.37Å; R143-T206 PolarHBondContact NE-O 2.84Å; R143-T206 VanDerWaalsContact NE-O 3.1Å; I147-T206 WeakPolarHBondContact O-CB 3.08Å; I147-T206 WeakPolarHBondContact O-CG2 3.14Å; I147-T206 PolarHBondContact O-OG1 2.78Å; A148-T206 VanDerWaalsContact C-OG1 3.31Å; A148-T206 PolarHBondContact O-N 2.86Å; A148-T206 PolarHBondContact O-OG1 2.75Å; A148-T206 VanDerWaalsContact O-OG1 3.06Å; T206-A208 PolarHBondContact O-N 3.06Å; T206-A208 PolarHBondContact OG1-N 3.16Å; T206-A208 VanDerWaalsContact OG1-N 3.1Å | ||
| 207 | K | 90.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | trans | 60.7 | 18.8 | -171.3 | -51.4 | -69.3 | 179.8 | 144.4 | 0 | 113.5 | E109 S112 A205 | E109-K207 HydrophobicContact CB-CB 4.48Å; E109-K207 HydrophobicContact CB-CG 4.37Å; E109-K207 HydrophobicContact CG-CG 4.37Å; E109-K207 VanDerWaalsContact OE1-CE 3.3Å; E109-K207 WeakPolarHBondContact OE1-CE 3.47Å; E109-K207 IonicContact OE1-NZ 3.25Å; E109-K207 PolarHBondContact OE1-NZ 2.76Å; S112-K207 WeakPolarHBondContact OG-CE 3.4Å; A205-K207 PolarHBondContact O-N 3.27Å | ||
| 208 | A | 91 | Very high | 91.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | trans | -104.3 | 149.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q104 L107 R143 A148 T206 I395 | Q104-A208 CarbonylContact O-C 3.6Å; Q104-A208 WeakPolarHBondContact O-CA 3.38Å; L107-A208 HydrophobicContact CD2-CB 3.69Å; R143-A208 HydrophobicContact CG-CB 4.03Å; A148-A208 WeakPolarHBondContact CA-O 3.21Å; T206-A208 PolarHBondContact O-N 3.06Å; T206-A208 PolarHBondContact OG1-N 3.16Å; T206-A208 VanDerWaalsContact OG1-N 3.1Å; A208-I395 HydrophobicContact CB-CD1 4.26Å | ||
| 209 | S | 89.3 | Confident | 90.5 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 33% | 0.329 | 23% | 0.227 | S | C | . | . | trans | -121.1 | 147.9 | 173.3 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | Q104 G146 | Q104-S209 PolarHBondContact O-N 3.04Å; G146-S209 CarbonylContact O-C 3.53Å; G146-S209 WeakPolarHBondContact O-CA 3.07Å | ||
| 210 | P | 86.2 | Confident | 89.6 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | trans | -68.6 | 154.6 | -175.6 | 25.9 | -34.5 | 0 | 0 | 0 | 109.8 | G146 M162 W212 | G146-P210 WeakPolarHBondContact O-CA 3.47Å; G146-P210 VanDerWaalsContact O-CD 3.22Å; G146-P210 WeakPolarHBondContact O-CD 3.37Å; M162-P210 HydrophobicContact CE-CG 3.73Å; M162-P210 HydrophobicContact SD-CG 4.26Å; P210-W212 PolarHBondContact O-N 3.5Å; P210-W212 VanDerWaalsContact O-N 3.15Å | ||
| 211 | P | 88.2 | Confident | 88.4 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | trans | -45.6 | 122.8 | 167.2 | -32.3 | 39.1 | 0 | 0 | 0 | 112 | I395 Q444 | P211-I395 HydrophobicContact CG-CG2 4.06Å; P211-Q444 HydrophobicContact CG-CG 4.41Å | ||
| 212 | W | 87.7 | Confident | 87.1 | Confident | 138 Ų | 138 | 56.4 Ų | 56.4 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | trans | -92.3 | 135.5 | 173.2 | 179.5 | 87.7 | 0 | 0 | 0 | 109.3 | I103 P210 P214 T450 | I103-W212 HydrophobicContact CD1-CB 3.5Å; I103-W212 VanDerWaalsContact CD1-CB 3.5Å; I103-W212 HydrophobicContact CD1-CE3 4.49Å; I103-W212 HydrophobicContact CD1-CG 4.31Å; P210-W212 PolarHBondContact O-N 3.5Å; P210-W212 VanDerWaalsContact O-N 3.15Å; W212-P214 HydrophobicContact CH2-CB 3.55Å; W212-P214 HydrophobicContact CH2-CG 4.27Å; W212-P214 HydrophobicContact CZ2-CB 4.38Å; W212-P214 HydrophobicContact CZ3-CB 3.68Å; W212-P214 HydrophobicContact CZ3-CG 3.87Å; W212-T450 HydrophobicContact CE3-CG2 4.27Å; W212-T450 HydrophobicContact CZ3-CG2 4.4Å | ||
| 213 | H | 91.8 | Very high | 85.7 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | trans | -121.9 | 122.2 | -179.2 | -60.9 | -68.4 | 0 | 0 | 0 | 110 | Q444 V452 N454 | H213-Q444 PolarHBondContact CE1-NE2 3.5Å; H213-V452 PolarHBondContact ND1-O 3.36Å; H213-N454 HydrophobicContact CB-CB 4.19Å | ||
| 214 | P | 92.5 | Very high | 84.3 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.4 | 174.1 | 23.6 | -27.4 | 0 | 0 | 0 | 111.2 | W212 K352 T450 V452 I453 | W212-P214 HydrophobicContact CH2-CB 3.55Å; W212-P214 HydrophobicContact CH2-CG 4.27Å; W212-P214 HydrophobicContact CZ2-CB 4.38Å; W212-P214 HydrophobicContact CZ3-CB 3.68Å; W212-P214 HydrophobicContact CZ3-CG 3.87Å; P214-K352 HydrophobicContact CG-CD 4.34Å; P214-T450 WeakPolarHBondContact CG-O 3.44Å; P214-V452 WeakPolarHBondContact CD-O 2.76Å; P214-I453 HydrophobicContact CB-CD1 4.37Å; P214-I453 HydrophobicContact CG-CD1 3.72Å; P214-I453 WeakPolarHBondContact O-CD1 3.28Å |
| 215 | V | 90.4 | Very high | 82.8 | Confident | 136 Ų | 136 | 65.1 Ų | 65.1 | 82% | 0.824 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 124.4 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 216 | P | 90.7 | Very high | 81.5 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 150.5 | 178.2 | 28.4 | -32.8 | 0 | 0 | 0 | 111.4 | S218 Y345 N349 I453 | P216-S218 PolarHBondContact O-N 2.64Å; P216-Y345 VanDerWaalsContact CB-OH 3.32Å; P216-Y345 WeakPolarHBondContact CB-OH 3.25Å; P216-Y345 WeakPolarHBondContact CG-OH 3.31Å; P216-N349 WeakPolarHBondContact CA-OD1 3.47Å; P216-I453 HydrophobicContact CB-CD1 3.93Å; P216-I453 HydrophobicContact CB-CG1 4.48Å; P216-I453 HydrophobicContact CB-CG2 4.34Å; P216-I453 HydrophobicContact CG-CD1 4.43Å; P216-I453 HydrophobicContact CG-CG2 4.16Å |
| 217 | L | 87.7 | Confident | 80.4 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71 | 125.6 | 173.2 | -69.7 | 174.8 | 0 | 0 | 0 | 110 | L223 H348 N349 | L217-L223 HydrophobicContact CD1-CD1 3.95Å; L217-H348 HydrophobicContact CB-CB 3.93Å; L217-H348 WeakPolarHBondContact CD1-O 3.37Å; L217-N349 PolarHBondContact N-OD1 3.49Å; L217-N349 PolarHBondContact O-ND2 2.82Å |
| 218 | S | 84.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 166.2 | 180 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | P216 K220 S221 H348 | P216-S218 PolarHBondContact O-N 2.64Å; S218-K220 PolarHBondContact O-N 2.97Å; S218-K220 PolarHBondContact OG-N 2.76Å; S218-S221 WeakPolarHBondContact O-CB 3.44Å; S218-S221 PolarHBondContact O-N 2.98Å; S218-S221 PolarHBondContact O-OG 3.45Å; S218-S221 VanDerWaalsContact O-OG 3.08Å; S218-H348 PolarHBondContact O-ND1 3.41Å |
| 219 | L | 77.8 | Confident | 78.9 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.6 | 171.4 | -76.5 | 173.1 | 0 | 0 | 0 | 113.3 | S221 E341 T344 Y345 Y504 | L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.84Å; L219-E341 HydrophobicContact CD1-CB 4.3Å; L219-E341 WeakPolarHBondContact CD2-O 3.11Å; L219-T344 HydrophobicContact CD2-CG2 3.56Å; L219-Y345 HydrophobicContact CG-CD2 4.25Å; L219-Y504 HydrophobicContact CD1-CE1 4.41Å; L219-Y504 VanDerWaalsContact CD1-OH 3.29Å; L219-Y504 WeakPolarHBondContact CD1-OH 3.49Å |
| 220 | K | 74 | Confident | 78.7 | Confident | 199 Ų | 199 | 79.5 Ų | 79.5 | 87% | 0.865 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 11.9 | -177.8 | -63.9 | -177.2 | -179.5 | 177.6 | 0 | 113.5 | S218 G222 | S218-K220 PolarHBondContact O-N 2.97Å; S218-K220 PolarHBondContact OG-N 2.76Å; K220-G222 PolarHBondContact O-N 2.74Å; K220-G222 VanDerWaalsContact O-N 3.11Å |
| 221 | S | 70 | Confident | 79 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 31% | 0.308 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -65.6 | -9 | -179.2 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | S218 L219 L223 H348 | S218-S221 WeakPolarHBondContact O-CB 3.44Å; S218-S221 PolarHBondContact O-N 2.98Å; S218-S221 PolarHBondContact O-OG 3.45Å; S218-S221 VanDerWaalsContact O-OG 3.08Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.84Å; S221-L223 PolarHBondContact O-N 3.48Å; S221-H348 PolarHBondContact OG-CE1 3.45Å; S221-H348 PolarHBondContact OG-ND1 3.07Å; S221-H348 VanDerWaalsContact OG-ND1 3.15Å |
| 222 | G | 65.5 | Low | 79.3 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 60% | 0.598 | 43% | 0.432 | S | S | * | . | trans | 73.9 | 8.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K220 T224 | K220-G222 PolarHBondContact O-N 2.74Å; K220-G222 VanDerWaalsContact O-N 3.11Å; G222-T224 PolarHBondContact O-N 3.01Å | ||
| 223 | L | 67.4 | Low | 79.8 | Confident | 65 Ų | 65 | 73 Ų | 73 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | trans | -77.8 | 35.1 | -179.3 | -75.6 | 160.6 | 0 | 0 | 0 | 113.3 | L217 S221 D225 L226 V227 | L217-L223 HydrophobicContact CD1-CD1 3.95Å; S221-L223 PolarHBondContact O-N 3.48Å; L223-D225 PolarHBondContact O-N 3.33Å; L223-L226 PolarHBondContact O-N 3.01Å; L223-L226 VanDerWaalsContact O-N 3.15Å; L223-V227 PolarHBondContact O-N 3.22Å | ||
| 224 | T | 65.6 | Low | 80.1 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58 | -34.1 | -175.5 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | G222 L226 V227 S228 | G222-T224 PolarHBondContact O-N 3.01Å; T224-L226 VanDerWaalsContact C-N 3.35Å; T224-L226 PolarHBondContact O-N 2.91Å; T224-V227 PolarHBondContact O-N 3.31Å; T224-S228 WeakPolarHBondContact O-CB 3.22Å; T224-S228 PolarHBondContact O-N 3.45Å |
| 225 | D | 62.6 | Low | 80.4 | Confident | 134 Ų | 134 | 70 Ų | 70 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | -179.1 | -62.2 | -14.9 | 0 | 0 | 0 | 112.3 | L223 V227 S228 S229 | L223-D225 PolarHBondContact O-N 3.33Å; D225-V227 VanDerWaalsContact C-N 3.34Å; D225-S228 PolarHBondContact O-N 3.37Å; D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 3.01Å; D225-S229 PolarHBondContact O-OG 3.04Å |
| 226 | L | 66.3 | Low | 80.8 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.3 | -146.5 | 117.6 | 0 | 0 | 0 | 110.9 | L223 T224 S229 K230 | L223-L226 PolarHBondContact O-N 3.01Å; L223-L226 VanDerWaalsContact O-N 3.15Å; T224-L226 VanDerWaalsContact C-N 3.35Å; T224-L226 PolarHBondContact O-N 2.91Å; L226-S229 PolarHBondContact O-OG 3.11Å; L226-S229 VanDerWaalsContact O-OG 3.13Å; L226-K230 PolarHBondContact O-N 3.02Å |
| 227 | V | 68.8 | Low | 81.1 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L223 T224 D225 P231 T344 H348 | L223-V227 PolarHBondContact O-N 3.22Å; T224-V227 PolarHBondContact O-N 3.31Å; D225-V227 VanDerWaalsContact C-N 3.34Å; V227-P231 WeakPolarHBondContact O-CA 3.36Å; V227-P231 WeakPolarHBondContact O-CB 3.42Å; V227-P231 VanDerWaalsContact O-CD 3.25Å; V227-P231 WeakPolarHBondContact O-CD 3.49Å; V227-T344 HydrophobicContact CG1-CG2 4.28Å; V227-T344 HydrophobicContact CG2-CG2 3.94Å; V227-H348 WeakPolarHBondContact CG2-NE2 3.39Å |
| 228 | S | 73.1 | Confident | 81.6 | Confident | 103 Ų | 103 | 58 Ų | 58 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.9 | -38.6 | 179.8 | -167.7 | 0 | 0 | 0 | 0 | 112.5 | T224 D225 | T224-S228 WeakPolarHBondContact O-CB 3.22Å; T224-S228 PolarHBondContact O-N 3.45Å; D225-S228 PolarHBondContact O-N 3.37Å |
| 229 | S | 77.2 | Confident | 82.1 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -73.2 | -41.5 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 113 | D225 L226 | D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 3.01Å; D225-S229 PolarHBondContact O-OG 3.04Å; L226-S229 PolarHBondContact O-OG 3.11Å; L226-S229 VanDerWaalsContact O-OG 3.13Å |
| 230 | K | 86.1 | Confident | 82.9 | Confident | 129 Ų | 129 | 53.8 Ų | 53.8 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -149.1 | 84.6 | 178.2 | -163.2 | 178.2 | -178 | 179.4 | 0 | 109.4 | L226 R350 | L226-K230 PolarHBondContact O-N 3.02Å; K230-R350 PolarHBondContact O-NH2 3.19Å |
| 231 | P | 91.3 | Very high | 83.4 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | trans | -71.1 | 148.9 | 173.4 | 29.2 | -33.2 | 0 | 0 | 0 | 110 | V227 R259 V343 R350 | V227-P231 WeakPolarHBondContact O-CA 3.36Å; V227-P231 WeakPolarHBondContact O-CB 3.42Å; V227-P231 VanDerWaalsContact O-CD 3.25Å; V227-P231 WeakPolarHBondContact O-CD 3.49Å; P231-R259 VanDerWaalsContact CG-CZ 3.45Å; P231-V343 HydrophobicContact CB-CG1 3.87Å; P231-R350 PolarHBondContact O-NH2 3.43Å | ||
| 232 | V | 95.2 | Very high | 83.5 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -67.6 | 148.5 | -179.7 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | D324 F325 V343 L346 S347 R350 | V232-D324 VanDerWaalsContact CA-OD2 3.24Å; V232-D324 WeakPolarHBondContact CA-OD2 3.33Å; V232-D324 HydrophobicContact CB-CB 4.03Å; V232-D324 HydrophobicContact CG1-CB 4.06Å; V232-F325 HydrophobicContact CB-CD2 4.29Å; V232-F325 HydrophobicContact CG1-CD2 4.18Å; V232-F325 HydrophobicContact CG1-CE2 4.02Å; V232-V343 HydrophobicContact CG2-CB 4.36Å; V232-V343 HydrophobicContact CG2-CG1 3.91Å; V232-V343 WeakPolarHBondContact CG2-O 3.34Å; V232-L346 HydrophobicContact CG2-CB 3.74Å; V232-S347 PolarHBondContact N-OG 3.22Å; V232-R350 HydrophobicContact CG1-CG 3.75Å; V232-R350 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 233 | R | 97.1 | Very high | 83.2 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -110.4 | 133.7 | 169.5 | -67.8 | 179.2 | -76.5 | -171.8 | -1 | 109.6 | R259 Y261 E322 D324 F325 | R233-R259 WeakPolarHBondContact CD-O 3.38Å; R233-R259 VanDerWaalsContact CG-O 3.23Å; R233-R259 WeakPolarHBondContact CG-O 3.05Å; R233-Y261 HydrophobicContact CB-CE2 4.31Å; R233-E322 WeakPolarHBondContact CD-O 3.25Å; R233-E322 IonicContact CZ-OE2 3.53Å; R233-E322 PolarHBondContact NE-O 2.93Å; R233-E322 IonicContact NH1-OE2 3.75Å; R233-E322 PolarHBondContact NH1-OE2 3.08Å; R233-E322 PolarHBondContact NH2-O 3.01Å; R233-E322 IonicContact NH2-OE2 2.81Å; R233-E322 PolarHBondContact NH2-OE2 3.06Å; R233-D324 PolarHBondContact N-OD2 3.31Å; R233-D324 PolarHBondContact O-N 2.94Å; R233-F325 PolarHBondContact O-N 3.49Å | ||
| 234 | I | 98.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.6 | -172.8 | -59.8 | 166.2 | 0 | 0 | 0 | 108.2 | Y236 H260 Y261 F325 I327 L342 V343 L346 | I234-Y236 HydrophobicContact CB-CD2 4.5Å; I234-Y236 HydrophobicContact CB-CE2 4.07Å; I234-Y236 HydrophobicContact CG2-CD1 4.07Å; I234-Y236 HydrophobicContact CG2-CD2 4.01Å; I234-Y236 HydrophobicContact CG2-CE1 3.9Å; I234-Y236 HydrophobicContact CG2-CE2 3.84Å; I234-Y236 HydrophobicContact CG2-CG 4.14Å; I234-H260 PolarHBondContact N-ND1 2.69Å; I234-H260 WeakPolarHBondContact O-CA 3.23Å; I234-H260 WeakPolarHBondContact O-CB 3.37Å; I234-Y261 PolarHBondContact O-N 3.41Å; I234-F325 CarbonylContact C-O 3.59Å; I234-F325 WeakPolarHBondContact CA-O 3.46Å; I234-I327 HydrophobicContact CD1-CD1 4.11Å; I234-I327 HydrophobicContact CG1-CD1 4.49Å; I234-I327 HydrophobicContact CG2-CB 4.2Å; I234-I327 HydrophobicContact CG2-CD1 3.69Å; I234-I327 HydrophobicContact CG2-CG1 3.72Å; I234-L342 HydrophobicContact CD1-CD2 4.33Å; I234-L342 HydrophobicContact CD1-CG 4.43Å; I234-V343 HydrophobicContact CD1-CG2 4.14Å; I234-L346 HydrophobicContact CD1-CD1 3.94Å; I234-L346 HydrophobicContact CG1-CD1 4.29Å |
| 235 | V | 98.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.4 | 158.2 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | L237 Y261 I314 W321 W323 F325 V326 I327 | V235-L237 PolarHBondContact O-N 3.04Å; V235-Y261 CarbonylContact C-O 3.48Å; V235-Y261 WeakPolarHBondContact CA-O 3.3Å; V235-Y261 HydrophobicContact CG2-CD2 4.09Å; V235-I314 HydrophobicContact CG1-CD1 3.84Å; V235-I314 HydrophobicContact CG1-CG1 4.34Å; V235-I314 HydrophobicContact CG1-CG2 4.41Å; V235-I314 HydrophobicContact CG2-CG2 4.2Å; V235-W321 HydrophobicContact CG1-CZ3 4.14Å; V235-W321 HydrophobicContact CG2-CE3 4.15Å; V235-W321 HydrophobicContact CG2-CZ3 4.47Å; V235-W323 HydrophobicContact CG2-CB 3.53Å; V235-W323 HydrophobicContact CG2-CD2 3.8Å; V235-W323 HydrophobicContact CG2-CE3 4.33Å; V235-W323 HydrophobicContact CG2-CG 3.4Å; V235-W323 VanDerWaalsContact CG2-CG 3.4Å; V235-F325 PolarHBondContact N-O 3.31Å; V235-V326 HydrophobicContact CB-CG2 4.18Å; V235-V326 CarbonylContact O-C 3.58Å; V235-V326 WeakPolarHBondContact O-CA 3.39Å; V235-I327 PolarHBondContact O-N 3.48Å |
| 236 | Y | 98.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 108.7 | 167.5 | -66.7 | -78.3 | 0 | 0 | 0 | 108.3 | I234 L238 I255 H260 Y261 Y262 Y263 I327 L329 | I234-Y236 HydrophobicContact CB-CD2 4.5Å; I234-Y236 HydrophobicContact CB-CE2 4.07Å; I234-Y236 HydrophobicContact CG2-CD1 4.07Å; I234-Y236 HydrophobicContact CG2-CD2 4.01Å; I234-Y236 HydrophobicContact CG2-CE1 3.9Å; I234-Y236 HydrophobicContact CG2-CE2 3.84Å; I234-Y236 HydrophobicContact CG2-CG 4.14Å; Y236-L238 PolarHBondContact O-N 3.49Å; Y236-I255 HydrophobicContact CD1-CD1 4.26Å; Y236-I255 HydrophobicContact CD2-CD1 4.44Å; Y236-I255 HydrophobicContact CG-CD1 4.12Å; Y236-H260 HydrophobicContact CD2-CB 4.38Å; Y236-H260 HydrophobicContact CE2-CB 4.12Å; Y236-H260 AromaticContact CE2-CD2 3.99Å; Y236-Y261 PolarHBondContact N-O 3.46Å; Y236-Y262 AromaticContact CD2-CD1 3.93Å; Y236-Y262 HydrophobicContact CD2-CD1 3.93Å; Y236-Y262 AromaticContact CD2-CE1 3.41Å; Y236-Y262 HydrophobicContact CD2-CE1 3.41Å; Y236-Y262 VanDerWaalsContact CD2-CE1 3.41Å; Y236-Y262 AromaticContact CD2-CZ 3.96Å; Y236-Y262 HydrophobicContact CE2-CE1 4.03Å; Y236-Y262 HydrophobicContact CG-CD1 4.34Å; Y236-Y262 HydrophobicContact CG-CE1 4.15Å; Y236-Y263 PolarHBondContact O-N 3.25Å; Y236-I327 CarbonylContact C-O 3.45Å; Y236-I327 WeakPolarHBondContact CA-O 3.4Å; Y236-I327 HydrophobicContact CD1-CB 4.19Å; Y236-I327 HydrophobicContact CE1-CB 4.42Å; Y236-I327 HydrophobicContact CE1-CD1 4.22Å; Y236-L329 HydrophobicContact CD1-CD1 3.47Å; Y236-L329 VanDerWaalsContact CD1-CD1 3.47Å; Y236-L329 HydrophobicContact CD1-CG 4.23Å; Y236-L329 HydrophobicContact CE1-CD1 3.99Å; Y236-L329 HydrophobicContact CG-CD1 4.36Å |
| 237 | L | 98.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 94.8 | 171.4 | 172.7 | 54.9 | 0 | 0 | 0 | 108.2 | V235 V239 Y263 F307 V326 I327 N328 L329 | V235-L237 PolarHBondContact O-N 3.04Å; L237-V239 HydrophobicContact CD1-CG2 4.47Å; L237-V239 HydrophobicContact CG-CG2 4.18Å; L237-Y263 CarbonylContact C-O 3.57Å; L237-Y263 WeakPolarHBondContact CA-O 3.48Å; L237-Y263 HydrophobicContact CD1-CD1 3.45Å; L237-Y263 VanDerWaalsContact CD1-CD1 3.45Å; L237-Y263 HydrophobicContact CD1-CE1 4.07Å; L237-Y263 HydrophobicContact CD1-CG 4.35Å; L237-F307 HydrophobicContact CD2-CD1 3.49Å; L237-F307 VanDerWaalsContact CD2-CD1 3.49Å; L237-F307 HydrophobicContact CD2-CE1 3.58Å; L237-F307 HydrophobicContact CG-CE1 4.29Å; L237-V326 HydrophobicContact CB-CG1 3.84Å; L237-V326 HydrophobicContact CD2-CG1 4.42Å; L237-I327 PolarHBondContact N-O 3.14Å; L237-N328 CarbonylContact O-C 3.56Å; L237-N328 VanDerWaalsContact O-CA 3.26Å; L237-N328 WeakPolarHBondContact O-CA 3.31Å; L237-L329 PolarHBondContact O-N 2.77Å |
| 238 | L | 97.4 | Very high | 86 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.8 | -174.8 | -57.3 | 179.3 | 0 | 0 | 0 | 109.3 | Y236 W240 M251 F252 I255 Y262 Y263 I264 H265 L329 | Y236-L238 PolarHBondContact O-N 3.49Å; L238-W240 HydrophobicContact CB-CD2 4.33Å; L238-W240 HydrophobicContact CB-CZ2 3.99Å; L238-W240 HydrophobicContact CD1-CH2 3.89Å; L238-W240 HydrophobicContact CD1-CZ2 3.34Å; L238-W240 HydrophobicContact CG-CZ2 4.12Å; L238-M251 HydrophobicContact CD1-CE 4.49Å; L238-M251 HydrophobicContact CD2-CE 4.09Å; L238-F252 HydrophobicContact CD1-CD2 3.71Å; L238-F252 HydrophobicContact CD1-CE2 3.91Å; L238-I255 HydrophobicContact CD2-CD1 4.07Å; L238-Y262 HydrophobicContact CD1-CD1 4.29Å; L238-Y263 PolarHBondContact N-O 3.32Å; L238-I264 HydrophobicContact CB-CG1 4.32Å; L238-I264 HydrophobicContact CD1-CD1 4.26Å; L238-I264 HydrophobicContact CD1-CG1 3.82Å; L238-I264 HydrophobicContact CG-CG1 4.47Å; L238-H265 PolarHBondContact O-N 3.39Å; L238-H265 VanDerWaalsContact O-O 3.11Å; L238-L329 CarbonylContact C-O 2.98Å; L238-L329 WeakPolarHBondContact CA-O 3.19Å; L238-L329 HydrophobicContact CD2-CB 3.77Å; L238-L329 HydrophobicContact CD2-CD1 3.97Å; L238-L329 HydrophobicContact CD2-CG 4.3Å |
| 239 | V | 95.6 | Very high | 86.7 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 11% | 0.109 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 88.8 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | L237 M306 F307 L329 S330 | L237-V239 HydrophobicContact CD1-CG2 4.47Å; L237-V239 HydrophobicContact CG-CG2 4.18Å; V239-M306 HydrophobicContact CG1-CE 4.28Å; V239-M306 HydrophobicContact CG1-SD 3.84Å; V239-M306 HydrophobicContact CG2-CE 3.82Å; V239-M306 HydrophobicContact CG2-SD 4.24Å; V239-F307 HydrophobicContact CG2-CE1 4.22Å; V239-F307 HydrophobicContact CG2-CZ 3.98Å; V239-L329 PolarHBondContact N-O 3.49Å; V239-S330 WeakPolarHBondContact O-CA 3.24Å |
| 240 | W | 93.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124 | -171.2 | -64.6 | -20.3 | 0 | 0 | 0 | 112.6 | L238 I248 M251 F252 I264 H265 V266 D267 L273 V277 | L238-W240 HydrophobicContact CB-CD2 4.33Å; L238-W240 HydrophobicContact CB-CZ2 3.99Å; L238-W240 HydrophobicContact CD1-CH2 3.89Å; L238-W240 HydrophobicContact CD1-CZ2 3.34Å; L238-W240 HydrophobicContact CG-CZ2 4.12Å; W240-I248 HydrophobicContact CB-CD1 4.44Å; W240-I248 HydrophobicContact CD2-CG2 3.71Å; W240-I248 HydrophobicContact CE3-CG2 3.62Å; W240-I248 HydrophobicContact CG-CD1 4.46Å; W240-I248 HydrophobicContact CH2-CG2 3.6Å; W240-I248 HydrophobicContact CZ2-CG2 3.67Å; W240-I248 HydrophobicContact CZ3-CG2 3.57Å; W240-M251 HydrophobicContact CZ2-CE 3.57Å; W240-F252 HydrophobicContact CH2-CB 4.41Å; W240-F252 AromaticContact CH2-CD2 3.86Å; W240-F252 HydrophobicContact CH2-CD2 3.86Å; W240-F252 HydrophobicContact CH2-CG 4.44Å; W240-F252 HydrophobicContact CZ2-CB 4.47Å; W240-F252 HydrophobicContact CZ2-CD2 4.1Å; W240-I264 HydrophobicContact CD2-CG2 4.23Å; W240-I264 HydrophobicContact CE3-CG2 3.55Å; W240-I264 HydrophobicContact CH2-CD1 4.06Å; W240-I264 HydrophobicContact CH2-CG2 4.16Å; W240-I264 HydrophobicContact CZ3-CD1 4.18Å; W240-I264 HydrophobicContact CZ3-CG2 3.51Å; W240-H265 PolarHBondContact N-O 2.99Å; W240-V266 HydrophobicContact CE3-CG2 4.25Å; W240-V266 WeakPolarHBondContact O-CA 3.49Å; W240-D267 PolarHBondContact O-N 3.35Å; W240-L273 HydrophobicContact CB-CD2 4.2Å; W240-V277 HydrophobicContact CE3-CG1 4.32Å; W240-V277 HydrophobicContact CE3-CG2 3.71Å; W240-V277 HydrophobicContact CZ3-CB 4.42Å; W240-V277 HydrophobicContact CZ3-CG1 3.85Å; W240-V277 HydrophobicContact CZ3-CG2 3.64Å |
| 241 | N | 84.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 33.2 Ų | 33.2 | 40% | 0.396 | 16% | 0.159 | S | C | . | . | trans | -122.8 | 169.6 | 167.2 | 74.3 | 71 | 0 | 0 | 0 | 109.4 | D267 E331 | N241-D267 HydrophobicContact CB-CB 4.24Å; N241-E331 VanDerWaalsContact CG-OE2 3.31Å; N241-E331 PolarHBondContact N-OE2 3.44Å; N241-E331 PolarHBondContact ND2-OE1 2.86Å; N241-E331 PolarHBondContact ND2-OE2 3.34Å; N241-E331 VanDerWaalsContact ND2-OE2 3.09Å; N241-E331 WeakPolarHBondContact O-CG 3.39Å; N241-E331 PolarHBondContact OD1-OE1 2.91Å | ||
| 242 | G | 73.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 93.5 | -162.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 243 | R | 58.5 | Low | 86.3 | Confident | 239 Ų | 239 | 34.3 Ų | 34.3 | 90% | 0.902 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -123.8 | -15.7 | -157.7 | -62.4 | -174.6 | -177.6 | 176 | 1.2 | 116.4 | W245 | R243-W245 PolarHBondContact O-N 2.8Š|
| 244 | S | 73.7 | Confident | 85.7 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 36% | 0.357 | 17% | 0.166 | S | C | . | . | trans | -89.7 | 89.8 | -176.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | H247 I248 | S244-H247 WeakPolarHBondContact OG-CB 3.31Å; S244-I248 WeakPolarHBondContact O-CG1 3.15Å; S244-I248 PolarHBondContact O-N 3.32Å | ||
| 245 | W | 81.7 | Confident | 85.4 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 171.3 | 169.7 | -114.2 | 0 | 0 | 0 | 113.6 | R243 H247 I248 R249 L273 M276 V277 F280 | R243-W245 PolarHBondContact O-N 2.8Å; W245-H247 VanDerWaalsContact C-N 3.28Å; W245-H247 PolarHBondContact O-N 2.81Å; W245-I248 HydrophobicContact CE3-CB 4.28Å; W245-I248 HydrophobicContact CE3-CG2 4.14Å; W245-I248 HydrophobicContact CZ3-CB 4.46Å; W245-I248 HydrophobicContact CZ3-CG2 3.87Å; W245-I248 PolarHBondContact O-N 3.49Å; W245-R249 HydrophobicContact CH2-CB 4.15Å; W245-R249 HydrophobicContact CZ2-CB 3.94Å; W245-R249 HydrophobicContact CZ2-CG 4.26Å; W245-R249 WeakPolarHBondContact O-CB 3.45Å; W245-R249 PolarHBondContact O-N 3.02Å; W245-L273 HydrophobicContact CE3-CD1 4.01Å; W245-M276 HydrophobicContact CD2-CB 3.88Å; W245-M276 HydrophobicContact CD2-CE 4.27Å; W245-M276 HydrophobicContact CE3-CB 4.06Å; W245-M276 HydrophobicContact CG-CB 4.19Å; W245-M276 HydrophobicContact CG-CE 3.91Å; W245-M276 HydrophobicContact CG-CG 4.38Å; W245-M276 VanDerWaalsContact NE1-CE 3.32Å; W245-V277 HydrophobicContact CE3-CG2 4.29Å; W245-V277 HydrophobicContact CZ3-CG2 3.72Å; W245-F280 HydrophobicContact CH2-CB 3.43Å; W245-F280 VanDerWaalsContact CH2-CB 3.43Å; W245-F280 AromaticContact CH2-CD1 3.61Å; W245-F280 HydrophobicContact CH2-CD1 3.61Å; W245-F280 AromaticContact CH2-CD2 3.91Å; W245-F280 HydrophobicContact CH2-CD2 3.91Å; W245-F280 HydrophobicContact CH2-CE1 4.26Å; W245-F280 AromaticContact CH2-CG 3.38Å; W245-F280 HydrophobicContact CH2-CG 3.38Å; W245-F280 HydrophobicContact CZ2-CB 3.62Å; W245-F280 HydrophobicContact CZ2-CD1 4.33Å; W245-F280 AromaticContact CZ2-CD2 3.79Å; W245-F280 HydrophobicContact CZ2-CD2 3.79Å; W245-F280 AromaticContact CZ2-CG 3.68Å; W245-F280 HydrophobicContact CZ2-CG 3.68Å |
| 246 | P | 77 | Confident | 85.2 | Confident | 51 Ų | 51 | 37.4 Ų | 37.4 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55.7 | -42.4 | 179.5 | -28.1 | 37.2 | 0 | 0 | 0 | 113.1 | R249 R250 E513 | P246-R249 PolarHBondContact O-N 2.98Å; P246-R250 WeakPolarHBondContact O-CB 3.27Å; P246-R250 PolarHBondContact O-N 3.25Å; P246-E513 WeakPolarHBondContact CB-OE1 3.45Å |
| 247 | H | 74 | Confident | 85 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 178.3 | -178.8 | 63.4 | 0 | 0 | 0 | 112.7 | S244 W245 R249 R250 M251 E331 Y509 | S244-H247 WeakPolarHBondContact OG-CB 3.31Å; W245-H247 VanDerWaalsContact C-N 3.28Å; W245-H247 PolarHBondContact O-N 2.81Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.93Å; H247-R250 WeakPolarHBondContact O-CB 3.27Å; H247-R250 PolarHBondContact O-N 3.46Å; H247-M251 PolarHBondContact O-N 3.47Å; H247-E331 PolarHBondContact CD2-O 3.46Å; H247-E331 PolarHBondContact NE2-O 2.84Å; H247-Y509 VanDerWaalsContact CE1-CB 3.5Å; H247-Y509 WeakPolarHBondContact CE1-CB 3.33Å; H247-Y509 AromaticContact CE1-CD1 3.98Å; H247-Y509 AromaticContact CE1-CD2 3.72Å; H247-Y509 AromaticContact CE1-CG 3.45Å; H247-Y509 VanDerWaalsContact CE1-CG 3.45Å; H247-Y509 AromaticContact ND1-CD1 3.99Å; H247-Y509 AromaticContact ND1-CG 3.9Å |
| 248 | I | 84.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.4 | -73 | 169.2 | 0 | 0 | 0 | 110.7 | W240 S244 W245 M251 F252 L273 E331 | W240-I248 HydrophobicContact CB-CD1 4.44Å; W240-I248 HydrophobicContact CD2-CG2 3.71Å; W240-I248 HydrophobicContact CE3-CG2 3.62Å; W240-I248 HydrophobicContact CG-CD1 4.46Å; W240-I248 HydrophobicContact CH2-CG2 3.6Å; W240-I248 HydrophobicContact CZ2-CG2 3.67Å; W240-I248 HydrophobicContact CZ3-CG2 3.57Å; S244-I248 WeakPolarHBondContact O-CG1 3.15Å; S244-I248 PolarHBondContact O-N 3.32Å; W245-I248 HydrophobicContact CE3-CB 4.28Å; W245-I248 HydrophobicContact CE3-CG2 4.14Å; W245-I248 HydrophobicContact CZ3-CB 4.46Å; W245-I248 HydrophobicContact CZ3-CG2 3.87Å; W245-I248 PolarHBondContact O-N 3.49Å; I248-M251 PolarHBondContact O-N 3.02Å; I248-F252 WeakPolarHBondContact O-CB 3.42Å; I248-F252 PolarHBondContact O-N 2.99Å; I248-L273 HydrophobicContact CD1-CD1 3.48Å; I248-L273 VanDerWaalsContact CD1-CD1 3.48Å; I248-L273 HydrophobicContact CD1-CD2 3.69Å; I248-L273 HydrophobicContact CD1-CG 4.22Å; I248-E331 HydrophobicContact CD1-CB 3.74Å; I248-E331 HydrophobicContact CG1-CB 3.64Å |
| 249 | R | 85.8 | Confident | 84.6 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 176 | 179.8 | -179.6 | 173.5 | -171.3 | -0.4 | 111 | W245 P246 H247 F252 E253 F280 | W245-R249 HydrophobicContact CH2-CB 4.15Å; W245-R249 HydrophobicContact CZ2-CB 3.94Å; W245-R249 HydrophobicContact CZ2-CG 4.26Å; W245-R249 WeakPolarHBondContact O-CB 3.45Å; W245-R249 PolarHBondContact O-N 3.02Å; P246-R249 PolarHBondContact O-N 2.98Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.93Å; R249-F252 PolarHBondContact O-N 3.33Å; R249-E253 HydrophobicContact CG-CG 4.43Å; R249-E253 WeakPolarHBondContact CG-OE1 3.3Å; R249-E253 IonicContact CZ-OE1 2.69Å; R249-E253 IonicContact NE-OE1 3.55Å; R249-E253 PolarHBondContact NE-OE1 2.65Å; R249-E253 IonicContact NH2-OE1 2.93Å; R249-E253 PolarHBondContact NH2-OE1 3.4Å; R249-E253 WeakPolarHBondContact O-CB 3.45Å; R249-E253 WeakPolarHBondContact O-CG 3.4Å; R249-E253 PolarHBondContact O-N 2.83Å; R249-F280 HydrophobicContact CG-CE2 3.84Å; R249-F280 HydrophobicContact CG-CZ 4.12Å |
| 250 | R | 80.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 177.6 | 170 | 165.4 | 174.8 | -156.5 | -9.7 | 112.4 | P246 H247 F252 E253 L254 Y509 A520 | P246-R250 WeakPolarHBondContact O-CB 3.27Å; P246-R250 PolarHBondContact O-N 3.25Å; H247-R250 WeakPolarHBondContact O-CB 3.27Å; H247-R250 PolarHBondContact O-N 3.46Å; R250-F252 VanDerWaalsContact C-N 3.31Å; R250-F252 PolarHBondContact O-N 2.89Å; R250-E253 PolarHBondContact O-N 2.79Å; R250-L254 HydrophobicContact CG-CD1 3.91Å; R250-L254 VanDerWaalsContact O-CG 3.29Å; R250-L254 WeakPolarHBondContact O-CG 3.31Å; R250-L254 PolarHBondContact O-N 3.41Å; R250-Y509 PolarHBondContact NH1-OH 3.17Å; R250-A520 HydrophobicContact CB-CB 3.41Å; R250-A520 VanDerWaalsContact CB-CB 3.41Å; R250-A520 HydrophobicContact CG-CB 3.62Å |
| 251 | M | 83.5 | Confident | 85 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 178 | 177.3 | -142.5 | 67.4 | 0 | 0 | 110.1 | L238 W240 H247 I248 E253 L254 I255 D333 L334 | L238-M251 HydrophobicContact CD1-CE 4.49Å; L238-M251 HydrophobicContact CD2-CE 4.09Å; W240-M251 HydrophobicContact CZ2-CE 3.57Å; H247-M251 PolarHBondContact O-N 3.47Å; I248-M251 PolarHBondContact O-N 3.02Å; M251-E253 PolarHBondContact O-N 3.32Å; M251-L254 PolarHBondContact O-N 3.26Å; M251-L254 VanDerWaalsContact O-N 3.16Å; M251-I255 HydrophobicContact CE-CD1 4.08Å; M251-I255 WeakPolarHBondContact O-CG1 3.42Å; M251-I255 PolarHBondContact O-N 2.81Å; M251-I255 VanDerWaalsContact O-N 3.09Å; M251-D333 WeakPolarHBondContact CG-O 3.45Å; M251-L334 HydrophobicContact CB-CD1 4.26Å |
| 252 | F | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | -179.8 | -172.8 | -89 | 0 | 0 | 0 | 112 | L238 W240 I248 R249 R250 L254 I255 Y256 Y262 I264 F280 Y284 V288 | L238-F252 HydrophobicContact CD1-CD2 3.71Å; L238-F252 HydrophobicContact CD1-CE2 3.91Å; W240-F252 HydrophobicContact CH2-CB 4.41Å; W240-F252 AromaticContact CH2-CD2 3.86Å; W240-F252 HydrophobicContact CH2-CD2 3.86Å; W240-F252 HydrophobicContact CH2-CG 4.44Å; W240-F252 HydrophobicContact CZ2-CB 4.47Å; W240-F252 HydrophobicContact CZ2-CD2 4.1Å; I248-F252 WeakPolarHBondContact O-CB 3.42Å; I248-F252 PolarHBondContact O-N 2.99Å; R249-F252 PolarHBondContact O-N 3.33Å; R250-F252 VanDerWaalsContact C-N 3.31Å; R250-F252 PolarHBondContact O-N 2.89Å; F252-L254 VanDerWaalsContact C-N 3.26Å; F252-L254 PolarHBondContact O-N 3Å; F252-I255 WeakPolarHBondContact O-CG1 3.48Å; F252-I255 PolarHBondContact O-N 3.26Å; F252-Y256 AromaticContact CE1-CD2 3.78Å; F252-Y256 HydrophobicContact CE1-CD2 3.78Å; F252-Y256 HydrophobicContact CE1-CG 4.28Å; F252-Y256 AromaticContact CZ-CD2 3.95Å; F252-Y256 HydrophobicContact CZ-CD2 3.95Å; F252-Y256 VanDerWaalsContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CB 3.48Å; F252-Y256 PolarHBondContact O-N 2.79Å; F252-Y262 HydrophobicContact CD2-CD1 4.34Å; F252-Y262 AromaticContact CE2-CD1 3.66Å; F252-Y262 HydrophobicContact CE2-CD1 3.66Å; F252-Y262 HydrophobicContact CE2-CE1 4.46Å; F252-Y262 AromaticContact CE2-CG 3.77Å; F252-Y262 HydrophobicContact CE2-CG 3.77Å; F252-Y262 HydrophobicContact CZ-CD1 4.18Å; F252-Y262 HydrophobicContact CZ-CD2 4.44Å; F252-Y262 HydrophobicContact CZ-CG 4.01Å; F252-I264 HydrophobicContact CE2-CD1 3.94Å; F252-F280 HydrophobicContact CB-CE1 4.44Å; F252-F280 AromaticContact CD1-CE1 3.51Å; F252-F280 HydrophobicContact CD1-CE1 3.51Å; F252-F280 AromaticContact CD1-CZ 3.76Å; F252-F280 HydrophobicContact CD1-CZ 3.76Å; F252-F280 AromaticContact CE1-CE1 3.93Å; F252-F280 HydrophobicContact CE1-CE1 3.93Å; F252-F280 HydrophobicContact CE1-CZ 4.33Å; F252-F280 HydrophobicContact CG-CE1 4Å; F252-F280 HydrophobicContact CG-CZ 4.48Å; F252-Y284 HydrophobicContact CD1-CE2 4.49Å; F252-Y284 HydrophobicContact CE1-CD1 4.12Å; F252-Y284 HydrophobicContact CE1-CD2 4.37Å; F252-Y284 AromaticContact CE1-CE1 3.67Å; F252-Y284 HydrophobicContact CE1-CE1 3.67Å; F252-Y284 AromaticContact CE1-CE2 3.94Å; F252-Y284 HydrophobicContact CE1-CE2 3.94Å; F252-Y284 HydrophobicContact CE1-CG 4.44Å; F252-Y284 AromaticContact CE1-CZ 3.56Å; F252-V288 HydrophobicContact CE2-CG1 4.35Å; F252-V288 HydrophobicContact CZ-CG1 3.96Å; F252-V288 HydrophobicContact CZ-CG2 3.85Å |
| 253 | E | 87 | Confident | 86.9 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 20% | 0.201 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -35.7 | 177.4 | -73.4 | 174.9 | 179.3 | 0 | 0 | 112.2 | R249 R250 M251 A520 H521 | R249-E253 HydrophobicContact CG-CG 4.43Å; R249-E253 WeakPolarHBondContact CG-OE1 3.3Å; R249-E253 IonicContact CZ-OE1 2.69Å; R249-E253 IonicContact NE-OE1 3.55Å; R249-E253 PolarHBondContact NE-OE1 2.65Å; R249-E253 IonicContact NH2-OE1 2.93Å; R249-E253 PolarHBondContact NH2-OE1 3.4Å; R249-E253 WeakPolarHBondContact O-CB 3.45Å; R249-E253 WeakPolarHBondContact O-CG 3.4Å; R249-E253 PolarHBondContact O-N 2.83Å; R250-E253 PolarHBondContact O-N 2.79Å; M251-E253 PolarHBondContact O-N 3.32Å; E253-A520 WeakPolarHBondContact OE2-CB 3.36Å; E253-H521 IonicContact OE2-ND1 2.62Å |
| 254 | L | 85.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 35.2 Ų | 35.2 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -71.8 | -31.8 | 178 | -72.9 | 167.7 | 0 | 0 | 0 | 113.7 | R250 M251 F252 L334 P335 N339 | R250-L254 HydrophobicContact CG-CD1 3.91Å; R250-L254 VanDerWaalsContact O-CG 3.29Å; R250-L254 WeakPolarHBondContact O-CG 3.31Å; R250-L254 PolarHBondContact O-N 3.41Å; M251-L254 PolarHBondContact O-N 3.26Å; M251-L254 VanDerWaalsContact O-N 3.16Å; F252-L254 VanDerWaalsContact C-N 3.26Å; F252-L254 PolarHBondContact O-N 3Å; L254-L334 HydrophobicContact CD1-CD1 3.62Å; L254-L334 HydrophobicContact CD1-CG 4.37Å; L254-P335 HydrophobicContact CB-CG 3.75Å; L254-P335 HydrophobicContact CD1-CG 4.46Å; L254-N339 PolarHBondContact O-ND2 2.87Å |
| 255 | I | 90.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -94.6 | -12.1 | 179.4 | 66.1 | 171.1 | 0 | 0 | 0 | 113.1 | Y236 L238 M251 F252 N257 Y262 L329 P335 | Y236-I255 HydrophobicContact CD1-CD1 4.26Å; Y236-I255 HydrophobicContact CD2-CD1 4.44Å; Y236-I255 HydrophobicContact CG-CD1 4.12Å; L238-I255 HydrophobicContact CD2-CD1 4.07Å; M251-I255 HydrophobicContact CE-CD1 4.08Å; M251-I255 WeakPolarHBondContact O-CG1 3.42Å; M251-I255 PolarHBondContact O-N 2.81Å; M251-I255 VanDerWaalsContact O-N 3.09Å; F252-I255 WeakPolarHBondContact O-CG1 3.48Å; F252-I255 PolarHBondContact O-N 3.26Å; I255-N257 PolarHBondContact O-N 3.21Å; I255-Y262 HydrophobicContact CD1-CD1 4.34Å; I255-Y262 HydrophobicContact CD1-CE1 4.01Å; I255-Y262 HydrophobicContact CG1-CE1 3.93Å; I255-Y262 PolarHBondContact O-OH 3.44Å; I255-L329 HydrophobicContact CD1-CD1 3.84Å; I255-P335 HydrophobicContact CG2-CB 4.3Å; I255-P335 HydrophobicContact CG2-CG 3.77Å |
| 256 | Y | 94.8 | Very high | 90.6 | Very high | 64 Ų | 64 | 31.4 Ų | 31.4 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | trans | -65.1 | 130.3 | -173.8 | -178.3 | -99.9 | 0 | 0 | 0 | 112.5 | F252 Y262 Y284 P285 V288 | F252-Y256 AromaticContact CE1-CD2 3.78Å; F252-Y256 HydrophobicContact CE1-CD2 3.78Å; F252-Y256 HydrophobicContact CE1-CG 4.28Å; F252-Y256 AromaticContact CZ-CD2 3.95Å; F252-Y256 HydrophobicContact CZ-CD2 3.95Å; F252-Y256 VanDerWaalsContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CB 3.48Å; F252-Y256 PolarHBondContact O-N 2.79Å; Y256-Y262 WeakPolarHBondContact CA-OH 3.45Å; Y256-Y262 HydrophobicContact CD2-CD2 4.15Å; Y256-Y262 AromaticContact CD2-CE2 3.67Å; Y256-Y262 HydrophobicContact CD2-CE2 3.67Å; Y256-Y262 HydrophobicContact CE2-CD2 4.34Å; Y256-Y262 HydrophobicContact CE2-CE2 4.01Å; Y256-Y284 AromaticContact CD1-CE1 3.98Å; Y256-Y284 HydrophobicContact CD1-CE1 3.98Å; Y256-Y284 AromaticContact CD2-CD1 3.87Å; Y256-Y284 HydrophobicContact CD2-CD1 3.87Å; Y256-Y284 AromaticContact CD2-CE1 3.72Å; Y256-Y284 HydrophobicContact CD2-CE1 3.72Å; Y256-Y284 HydrophobicContact CE1-CD1 4.14Å; Y256-Y284 AromaticContact CE1-CE1 3.92Å; Y256-Y284 HydrophobicContact CE1-CE1 3.92Å; Y256-Y284 AromaticContact CE2-CD1 3.37Å; Y256-Y284 HydrophobicContact CE2-CD1 3.37Å; Y256-Y284 AromaticContact CE2-CE1 3.67Å; Y256-Y284 HydrophobicContact CE2-CE1 3.67Å; Y256-Y284 HydrophobicContact CG-CD1 4.44Å; Y256-Y284 AromaticContact CG-CE1 3.87Å; Y256-Y284 HydrophobicContact CG-CE1 3.87Å; Y256-Y284 AromaticContact CZ-CD1 3.52Å; Y256-Y284 AromaticContact CZ-CE1 3.76Å; Y256-P285 VanDerWaalsContact OH-CD 3.24Å; Y256-P285 WeakPolarHBondContact OH-CD 3.37Å; Y256-P285 WeakPolarHBondContact OH-CG 3.5Å; Y256-V288 HydrophobicContact CD2-CG2 4.49Å; Y256-V288 HydrophobicContact CE2-CG2 3.95Å | ||
| 257 | N | 94.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 29.3 Ų | 29.3 | 35% | 0.353 | 14% | 0.139 | S | C | . | . | trans | -153.1 | 135.2 | 173 | -168.9 | -71.5 | 0 | 0 | 0 | 108.7 | I255 R259 H260 Y262 | I255-N257 PolarHBondContact O-N 3.21Å; N257-R259 PolarHBondContact O-N 3.12Å; N257-R259 WeakPolarHBondContact OD1-CB 3.09Å; N257-R259 WeakPolarHBondContact OD1-CG 3.39Å; N257-R259 PolarHBondContact OD1-N 3.04Å; N257-H260 PolarHBondContact O-N 2.66Å; N257-Y262 PolarHBondContact N-OH 2.91Å; N257-Y262 PolarHBondContact O-OH 3.38Å | ||
| 258 | A | 94.7 | Very high | 92.5 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 61% | 0.612 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 259 | R | 94.1 | Very high | 92.9 | Very high | 141 Ų | 141 | 37.3 Ų | 37.3 | 53% | 0.532 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.7 | 177.7 | -58.6 | -176.7 | 73.9 | 165 | 10 | 113.9 | P231 R233 N257 | P231-R259 VanDerWaalsContact CG-CZ 3.45Å; R233-R259 WeakPolarHBondContact CD-O 3.38Å; R233-R259 VanDerWaalsContact CG-O 3.23Å; R233-R259 WeakPolarHBondContact CG-O 3.05Å; N257-R259 PolarHBondContact O-N 3.12Å; N257-R259 WeakPolarHBondContact OD1-CB 3.09Å; N257-R259 WeakPolarHBondContact OD1-CG 3.39Å; N257-R259 PolarHBondContact OD1-N 3.04Å |
| 260 | H | 97.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -106 | 165.4 | -178.3 | -59.5 | -30.4 | 0 | 0 | 0 | 109.8 | I234 Y236 N257 Y262 N287 | I234-H260 PolarHBondContact N-ND1 2.69Å; I234-H260 WeakPolarHBondContact O-CA 3.23Å; I234-H260 WeakPolarHBondContact O-CB 3.37Å; Y236-H260 HydrophobicContact CD2-CB 4.38Å; Y236-H260 HydrophobicContact CE2-CB 4.12Å; Y236-H260 AromaticContact CE2-CD2 3.99Å; N257-H260 PolarHBondContact O-N 2.66Å; H260-Y262 HydrophobicContact CB-CE2 4.05Å; H260-Y262 WeakPolarHBondContact CB-OH 3.39Å; H260-Y262 WeakPolarHBondContact O-CE2 3.42Å; H260-N287 PolarHBondContact O-ND2 3.36Å |
| 261 | Y | 98.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150 | 179.8 | -45.8 | -83 | 0 | 0 | 0 | 110.3 | R233 I234 V235 Y236 N287 W321 E322 W323 | R233-Y261 HydrophobicContact CB-CE2 4.31Å; I234-Y261 PolarHBondContact O-N 3.41Å; V235-Y261 CarbonylContact C-O 3.48Å; V235-Y261 WeakPolarHBondContact CA-O 3.3Å; V235-Y261 HydrophobicContact CG2-CD2 4.09Å; Y236-Y261 PolarHBondContact N-O 3.46Å; Y261-N287 CarbonylContact C-O 3.53Å; Y261-N287 VanDerWaalsContact CA-O 3.28Å; Y261-N287 WeakPolarHBondContact CA-O 3.43Å; Y261-N287 HydrophobicContact CD1-CB 3.87Å; Y261-N287 HydrophobicContact CE1-CB 4.45Å; Y261-W321 VanDerWaalsContact CB-CZ3 3.45Å; Y261-W321 HydrophobicContact CD1-CB 3.88Å; Y261-W321 AromaticContact CD1-CD1 3.51Å; Y261-W321 AromaticContact CD1-CD2 3.42Å; Y261-W321 HydrophobicContact CD1-CD2 3.42Å; Y261-W321 VanDerWaalsContact CD1-CD2 3.42Å; Y261-W321 AromaticContact CD1-CE2 3.65Å; Y261-W321 HydrophobicContact CD1-CE3 4.07Å; Y261-W321 AromaticContact CD1-CG 3.33Å; Y261-W321 HydrophobicContact CD1-CG 3.33Å; Y261-W321 HydrophobicContact CD1-CZ2 4.4Å; Y261-W321 AromaticContact CD1-NE1 3.68Å; Y261-W321 HydrophobicContact CD2-CB 4.11Å; Y261-W321 HydrophobicContact CD2-CD2 4.37Å; Y261-W321 HydrophobicContact CD2-CE3 4.36Å; Y261-W321 HydrophobicContact CD2-CG 4.32Å; Y261-W321 HydrophobicContact CE1-CB 3.77Å; Y261-W321 AromaticContact CE1-CD1 3.6Å; Y261-W321 HydrophobicContact CE1-CD2 4.18Å; Y261-W321 AromaticContact CE1-CG 3.57Å; Y261-W321 HydrophobicContact CE1-CG 3.57Å; Y261-W321 HydrophobicContact CE2-CB 4.01Å; Y261-W321 HydrophobicContact CG-CB 4.04Å; Y261-W321 AromaticContact CG-CD2 3.54Å; Y261-W321 HydrophobicContact CG-CD2 3.54Å; Y261-W321 AromaticContact CG-CE3 3.68Å; Y261-W321 HydrophobicContact CG-CE3 3.68Å; Y261-W321 AromaticContact CG-CG 3.74Å; Y261-W321 HydrophobicContact CG-CG 3.74Å; Y261-W321 HydrophobicContact CG-CZ3 4.29Å; Y261-E322 VanDerWaalsContact CE2-O 3.31Å; Y261-E322 WeakPolarHBondContact CE2-O 3.3Å; Y261-E322 PolarHBondContact OH-N 3.29Å; Y261-E322 PolarHBondContact OH-O 2.86Å; Y261-W323 HydrophobicContact CD2-CB 3.95Å; Y261-W323 HydrophobicContact CE2-CB 3.94Å |
| 262 | Y | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 102.8 | -171.6 | -58.1 | -89.8 | 0 | 0 | 0 | 107.8 | Y236 L238 F252 I255 Y256 N257 H260 N287 V288 Y289 | Y236-Y262 AromaticContact CD2-CD1 3.93Å; Y236-Y262 HydrophobicContact CD2-CD1 3.93Å; Y236-Y262 AromaticContact CD2-CE1 3.41Å; Y236-Y262 HydrophobicContact CD2-CE1 3.41Å; Y236-Y262 VanDerWaalsContact CD2-CE1 3.41Å; Y236-Y262 AromaticContact CD2-CZ 3.96Å; Y236-Y262 HydrophobicContact CE2-CE1 4.03Å; Y236-Y262 HydrophobicContact CG-CD1 4.34Å; Y236-Y262 HydrophobicContact CG-CE1 4.15Å; L238-Y262 HydrophobicContact CD1-CD1 4.29Å; F252-Y262 HydrophobicContact CD2-CD1 4.34Å; F252-Y262 AromaticContact CE2-CD1 3.66Å; F252-Y262 HydrophobicContact CE2-CD1 3.66Å; F252-Y262 HydrophobicContact CE2-CE1 4.46Å; F252-Y262 AromaticContact CE2-CG 3.77Å; F252-Y262 HydrophobicContact CE2-CG 3.77Å; F252-Y262 HydrophobicContact CZ-CD1 4.18Å; F252-Y262 HydrophobicContact CZ-CD2 4.44Å; F252-Y262 HydrophobicContact CZ-CG 4.01Å; I255-Y262 HydrophobicContact CD1-CD1 4.34Å; I255-Y262 HydrophobicContact CD1-CE1 4.01Å; I255-Y262 HydrophobicContact CG1-CE1 3.93Å; I255-Y262 PolarHBondContact O-OH 3.44Å; Y256-Y262 WeakPolarHBondContact CA-OH 3.45Å; Y256-Y262 HydrophobicContact CD2-CD2 4.15Å; Y256-Y262 AromaticContact CD2-CE2 3.67Å; Y256-Y262 HydrophobicContact CD2-CE2 3.67Å; Y256-Y262 HydrophobicContact CE2-CD2 4.34Å; Y256-Y262 HydrophobicContact CE2-CE2 4.01Å; N257-Y262 PolarHBondContact N-OH 2.91Å; N257-Y262 PolarHBondContact O-OH 3.38Å; H260-Y262 HydrophobicContact CB-CE2 4.05Å; H260-Y262 WeakPolarHBondContact CB-OH 3.39Å; H260-Y262 WeakPolarHBondContact O-CE2 3.42Å; Y262-N287 PolarHBondContact N-O 3.09Å; Y262-V288 HydrophobicContact CD2-CG2 3.89Å; Y262-V288 HydrophobicContact CG-CG2 4.32Å; Y262-Y289 PolarHBondContact O-N 3.36Å |
| 263 | Y | 98.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 108.2 | 177.4 | -170.3 | -82.5 | 0 | 0 | 0 | 108.4 | Y236 L237 L238 Y289 T291 D313 I314 M318 W321 | Y236-Y263 PolarHBondContact O-N 3.25Å; L237-Y263 CarbonylContact C-O 3.57Å; L237-Y263 WeakPolarHBondContact CA-O 3.48Å; L237-Y263 HydrophobicContact CD1-CD1 3.45Å; L237-Y263 VanDerWaalsContact CD1-CD1 3.45Å; L237-Y263 HydrophobicContact CD1-CE1 4.07Å; L237-Y263 HydrophobicContact CD1-CG 4.35Å; L238-Y263 PolarHBondContact N-O 3.32Å; Y263-Y289 AromaticContact CD2-CD1 3.84Å; Y263-Y289 HydrophobicContact CD2-CD1 3.84Å; Y263-Y289 AromaticContact CE2-CD1 3.7Å; Y263-Y289 HydrophobicContact CE2-CD1 3.7Å; Y263-Y289 AromaticContact CE2-CE1 3.94Å; Y263-Y289 HydrophobicContact CE2-CE1 3.94Å; Y263-T291 HydrophobicContact CD1-CG2 4.13Å; Y263-T291 HydrophobicContact CE1-CG2 3.37Å; Y263-T291 VanDerWaalsContact CZ-CB 3.42Å; Y263-T291 VanDerWaalsContact OH-CB 3.26Å; Y263-T291 WeakPolarHBondContact OH-CB 3.48Å; Y263-T291 PolarHBondContact OH-OG1 2.78Å; Y263-D313 HydrophobicContact CE2-CB 4.24Å; Y263-D313 WeakPolarHBondContact CE2-OD2 3.43Å; Y263-D313 VanDerWaalsContact CZ-OD2 3.26Å; Y263-D313 WeakPolarHBondContact OH-CB 3.47Å; Y263-D313 VanDerWaalsContact OH-CG 3.32Å; Y263-D313 PolarHBondContact OH-OD2 3.47Å; Y263-I314 HydrophobicContact CD1-CD1 4.24Å; Y263-I314 HydrophobicContact CD1-CG1 4.45Å; Y263-I314 HydrophobicContact CD2-CD1 4.06Å; Y263-I314 HydrophobicContact CD2-CG1 3.43Å; Y263-I314 VanDerWaalsContact CD2-CG1 3.43Å; Y263-I314 HydrophobicContact CE2-CG1 3.82Å; Y263-I314 HydrophobicContact CG-CD1 3.84Å; Y263-I314 HydrophobicContact CG-CG1 3.77Å; Y263-M318 HydrophobicContact CE2-CE 4.2Å; Y263-W321 HydrophobicContact CD2-CH2 4.49Å; Y263-W321 HydrophobicContact CD2-CZ3 4.38Å |
| 264 | I | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | -166.9 | -53.6 | 178.5 | 0 | 0 | 0 | 109.8 | L238 W240 F252 V266 V277 I281 V288 Y289 L290 T291 | L238-I264 HydrophobicContact CB-CG1 4.32Å; L238-I264 HydrophobicContact CD1-CD1 4.26Å; L238-I264 HydrophobicContact CD1-CG1 3.82Å; L238-I264 HydrophobicContact CG-CG1 4.47Å; W240-I264 HydrophobicContact CD2-CG2 4.23Å; W240-I264 HydrophobicContact CE3-CG2 3.55Å; W240-I264 HydrophobicContact CH2-CD1 4.06Å; W240-I264 HydrophobicContact CH2-CG2 4.16Å; W240-I264 HydrophobicContact CZ3-CD1 4.18Å; W240-I264 HydrophobicContact CZ3-CG2 3.51Å; F252-I264 HydrophobicContact CE2-CD1 3.94Å; I264-V266 HydrophobicContact CG2-CG2 4.19Å; I264-V277 HydrophobicContact CG2-CG1 4.02Å; I264-I281 HydrophobicContact CD1-CG2 3.8Å; I264-V288 HydrophobicContact CD1-CG1 3.62Å; I264-Y289 WeakPolarHBondContact CB-O 3.5Å; I264-Y289 PolarHBondContact N-O 3.28Å; I264-L290 HydrophobicContact CB-CD1 4.27Å; I264-L290 HydrophobicContact CG2-CD1 3.99Å; I264-L290 WeakPolarHBondContact O-CA 3.48Å; I264-L290 WeakPolarHBondContact O-CD1 3.36Å; I264-T291 WeakPolarHBondContact O-CG2 3.34Å; I264-T291 PolarHBondContact O-N 2.96Å |
| 265 | H | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.6 | 166.9 | 172.7 | -85.1 | 0 | 0 | 0 | 109.5 | L238 W240 T291 F294 | L238-H265 PolarHBondContact O-N 3.39Å; L238-H265 VanDerWaalsContact O-O 3.11Å; W240-H265 PolarHBondContact N-O 2.99Å; H265-T291 HydrophobicContact CB-CG2 3.83Å; H265-F294 AromaticContact CD2-CD2 3.85Å; H265-F294 WeakPolarHBondContact NE2-CB 3.36Å; H265-F294 AromaticContact NE2-CD2 3.72Å; H265-F294 PolarHBondContact NE2-N 3.43Å |
| 266 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.4 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | W240 I264 A268 C270 L273 Y274 V277 L290 R293 | W240-V266 HydrophobicContact CE3-CG2 4.25Å; W240-V266 WeakPolarHBondContact O-CA 3.49Å; I264-V266 HydrophobicContact CG2-CG2 4.19Å; V266-A268 PolarHBondContact O-N 2.88Å; V266-C270 HydrophobicContact CG1-CB 4.33Å; V266-L273 HydrophobicContact CG1-CB 4.23Å; V266-L273 HydrophobicContact CG1-CD2 3.99Å; V266-L273 HydrophobicContact CG1-CG 3.93Å; V266-Y274 HydrophobicContact CB-CD2 4.16Å; V266-V277 HydrophobicContact CG2-CB 4.25Å; V266-V277 HydrophobicContact CG2-CG1 4.13Å; V266-V277 HydrophobicContact CG2-CG2 4.09Å; V266-L290 HydrophobicContact CG2-CD1 4.03Å; V266-R293 WeakPolarHBondContact O-CG 3.43Å; V266-R293 PolarHBondContact O-NE 3.11Å; V266-R293 VanDerWaalsContact O-NE 3.17Å |
| 267 | D | 95.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | trans | -46.6 | 130.8 | -179.6 | -171.1 | -63.1 | 0 | 0 | 0 | 111.7 | W240 N241 R269 C270 R293 | W240-D267 PolarHBondContact O-N 3.35Å; N241-D267 HydrophobicContact CB-CB 4.24Å; D267-R269 PolarHBondContact O-N 3.4Å; D267-R269 VanDerWaalsContact O-N 3.11Å; D267-R269 WeakPolarHBondContact OD1-CA 3.32Å; D267-R269 WeakPolarHBondContact OD1-CB 3.29Å; D267-R269 WeakPolarHBondContact OD1-CG 3.44Å; D267-R269 IonicContact OD1-CZ 3.07Å; D267-R269 PolarHBondContact OD1-N 3.36Å; D267-R269 IonicContact OD1-NE 2.68Å; D267-R269 PolarHBondContact OD1-NE 3.38Å; D267-R269 IonicContact OD1-NH2 3.54Å; D267-R269 IonicContact OD2-CZ 3.91Å; D267-R269 IonicContact OD2-NE 3.39Å; D267-R269 PolarHBondContact OD2-NE 3.17Å; D267-R269 IonicContact OD2-NH2 2.8Å; D267-R269 PolarHBondContact OD2-NH2 3.19Å; D267-C270 HydrophobicContact CB-CB 4.35Å; D267-C270 PolarHBondContact O-N 3.17Å; D267-R293 PolarHBondContact O-NH2 3.28Å | ||
| 268 | A | 95.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V266 C270 R293 F294 S295 | V266-A268 PolarHBondContact O-N 2.88Å; A268-C270 VanDerWaalsContact C-N 3.33Å; A268-R293 VanDerWaalsContact CA-NH2 3.28Å; A268-R293 HydrophobicContact CB-CB 3.87Å; A268-R293 PolarHBondContact O-NH2 2.85Å; A268-F294 PolarHBondContact N-O 3.04Å; A268-S295 WeakPolarHBondContact CB-OG 3.09Å |
| 269 | R | 92 | Very high | 94.5 | Very high | 145 Ų | 145 | 47.9 Ų | 47.9 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.5 | 175.5 | -55.3 | 168.2 | -71 | -166.2 | 0.1 | 112.6 | D267 G271 P296 | D267-R269 PolarHBondContact O-N 3.4Å; D267-R269 VanDerWaalsContact O-N 3.11Å; D267-R269 WeakPolarHBondContact OD1-CA 3.32Å; D267-R269 WeakPolarHBondContact OD1-CB 3.29Å; D267-R269 WeakPolarHBondContact OD1-CG 3.44Å; D267-R269 IonicContact OD1-CZ 3.07Å; D267-R269 PolarHBondContact OD1-N 3.36Å; D267-R269 IonicContact OD1-NE 2.68Å; D267-R269 PolarHBondContact OD1-NE 3.38Å; D267-R269 IonicContact OD1-NH2 3.54Å; D267-R269 IonicContact OD2-CZ 3.91Å; D267-R269 IonicContact OD2-NE 3.39Å; D267-R269 PolarHBondContact OD2-NE 3.17Å; D267-R269 IonicContact OD2-NH2 2.8Å; D267-R269 PolarHBondContact OD2-NH2 3.19Å; R269-G271 PolarHBondContact O-N 3.04Å; R269-P296 PolarHBondContact NH2-O 3.08Å |
| 270 | C | 91.5 | Very high | 94.4 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -95.4 | 66.7 | -176.9 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | V266 D267 A268 Y272 L273 Y274 R293 | V266-C270 HydrophobicContact CG1-CB 4.33Å; D267-C270 HydrophobicContact CB-CB 4.35Å; D267-C270 PolarHBondContact O-N 3.17Å; A268-C270 VanDerWaalsContact C-N 3.33Å; C270-Y272 PolarHBondContact O-N 2.88Å; C270-L273 HydrophobicContact CB-CB 4.15Å; C270-L273 PolarHBondContact O-N 2.78Å; C270-Y274 PolarHBondContact O-N 3.3Å; C270-Y274 VanDerWaalsContact O-N 3.1Å; C270-R293 PolarHBondContact O-NH2 3.41Å | ||
| 271 | G | 90.2 | Very high | 94.2 | Very high | 37 Ų | 37 | 43 Ų | 43 | 38% | 0.381 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.8 | -45 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R269 Y274 T275 | R269-G271 PolarHBondContact O-N 3.04Å; G271-Y274 PolarHBondContact O-N 2.9Å; G271-T275 PolarHBondContact O-N 3.09Å; G271-T275 VanDerWaalsContact O-N 3.14Å; G271-T275 PolarHBondContact O-OG1 3.48Å |
| 272 | Y | 90.4 | Very high | 93.8 | Very high | 152 Ų | 152 | 44.9 Ų | 44.9 | 60% | 0.596 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.7 | -49.1 | 177.7 | 169.6 | -100.7 | 0 | 0 | 0 | 112 | C270 Y274 T275 M276 | C270-Y272 PolarHBondContact O-N 2.88Å; Y272-Y274 VanDerWaalsContact C-N 3.32Å; Y272-Y274 PolarHBondContact O-N 3.06Å; Y272-T275 PolarHBondContact O-N 2.82Å; Y272-M276 HydrophobicContact CD1-CG 4.43Å; Y272-M276 HydrophobicContact CD2-CG 4.43Å; Y272-M276 HydrophobicContact CE1-CG 3.96Å; Y272-M276 HydrophobicContact CE2-CG 3.95Å; Y272-M276 HydrophobicContact CE2-SD 4.14Å; Y272-M276 WeakPolarHBondContact O-CG 3.34Å; Y272-M276 PolarHBondContact O-N 3.33Å |
| 273 | L | 89.3 | Confident | 93.4 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.5 | 178.5 | 58.7 | 0 | 0 | 0 | 111.1 | W240 W245 I248 V266 C270 T275 M276 V277 | W240-L273 HydrophobicContact CB-CD2 4.2Å; W245-L273 HydrophobicContact CE3-CD1 4.01Å; I248-L273 HydrophobicContact CD1-CD1 3.48Å; I248-L273 VanDerWaalsContact CD1-CD1 3.48Å; I248-L273 HydrophobicContact CD1-CD2 3.69Å; I248-L273 HydrophobicContact CD1-CG 4.22Å; V266-L273 HydrophobicContact CG1-CB 4.23Å; V266-L273 HydrophobicContact CG1-CD2 3.99Å; V266-L273 HydrophobicContact CG1-CG 3.93Å; C270-L273 HydrophobicContact CB-CB 4.15Å; C270-L273 PolarHBondContact O-N 2.78Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.15Å; L273-M276 PolarHBondContact O-N 3.36Å; L273-V277 HydrophobicContact CD1-CG2 3.89Å; L273-V277 HydrophobicContact CG-CG2 4.2Å; L273-V277 WeakPolarHBondContact O-CB 3.46Å; L273-V277 VanDerWaalsContact O-CG2 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 3.07Å |
| 274 | Y | 93.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 54 Ų | 54 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -43 | 177 | 177.9 | -99.5 | 0 | 0 | 0 | 112.3 | V266 C270 G271 Y272 V277 K278 L290 R293 | V266-Y274 HydrophobicContact CB-CD2 4.16Å; C270-Y274 PolarHBondContact O-N 3.3Å; C270-Y274 VanDerWaalsContact O-N 3.1Å; G271-Y274 PolarHBondContact O-N 2.9Å; Y272-Y274 VanDerWaalsContact C-N 3.32Å; Y272-Y274 PolarHBondContact O-N 3.06Å; Y274-V277 PolarHBondContact O-N 3.44Å; Y274-K278 HydrophobicContact CE1-CD 4.11Å; Y274-K278 WeakPolarHBondContact O-CB 3.15Å; Y274-K278 PolarHBondContact O-N 3.22Å; Y274-L290 HydrophobicContact CD2-CD1 4.26Å; Y274-L290 HydrophobicContact CD2-CD2 4.15Å; Y274-L290 HydrophobicContact CE2-CD1 4.02Å; Y274-L290 HydrophobicContact CE2-CD2 3.53Å; Y274-L290 HydrophobicContact CE2-CG 3.9Å; Y274-R293 VanDerWaalsContact CD2-CD 3.47Å; Y274-R293 HydrophobicContact CD2-CG 4.17Å; Y274-R293 HydrophobicContact CE2-CG 4.03Å |
| 275 | T | 92.8 | Very high | 93 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | G271 Y272 L273 K278 S279 | G271-T275 PolarHBondContact O-N 3.09Å; G271-T275 VanDerWaalsContact O-N 3.14Å; G271-T275 PolarHBondContact O-OG1 3.48Å; Y272-T275 PolarHBondContact O-N 2.82Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.15Å; T275-K278 PolarHBondContact O-N 3.35Å; T275-S279 PolarHBondContact O-N 2.68Å |
| 276 | M | 92.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 29% | 0.286 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 177.3 | -67.3 | -59.4 | -66.5 | 0 | 0 | 111.5 | W245 Y272 L273 K278 S279 F280 | W245-M276 HydrophobicContact CD2-CB 3.88Å; W245-M276 HydrophobicContact CD2-CE 4.27Å; W245-M276 HydrophobicContact CE3-CB 4.06Å; W245-M276 HydrophobicContact CG-CB 4.19Å; W245-M276 HydrophobicContact CG-CE 3.91Å; W245-M276 HydrophobicContact CG-CG 4.38Å; W245-M276 VanDerWaalsContact NE1-CE 3.32Å; Y272-M276 HydrophobicContact CD1-CG 4.43Å; Y272-M276 HydrophobicContact CD2-CG 4.43Å; Y272-M276 HydrophobicContact CE1-CG 3.96Å; Y272-M276 HydrophobicContact CE2-CG 3.95Å; Y272-M276 HydrophobicContact CE2-SD 4.14Å; Y272-M276 WeakPolarHBondContact O-CG 3.34Å; Y272-M276 PolarHBondContact O-N 3.33Å; L273-M276 PolarHBondContact O-N 3.36Å; M276-K278 PolarHBondContact O-N 2.88Å; M276-S279 PolarHBondContact O-N 3.45Å; M276-F280 WeakPolarHBondContact O-CB 3.17Å; M276-F280 PolarHBondContact O-N 3.21Å |
| 277 | V | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | W240 W245 I264 V266 L273 Y274 S279 F280 I281 L290 | W240-V277 HydrophobicContact CE3-CG1 4.32Å; W240-V277 HydrophobicContact CE3-CG2 3.71Å; W240-V277 HydrophobicContact CZ3-CB 4.42Å; W240-V277 HydrophobicContact CZ3-CG1 3.85Å; W240-V277 HydrophobicContact CZ3-CG2 3.64Å; W245-V277 HydrophobicContact CE3-CG2 4.29Å; W245-V277 HydrophobicContact CZ3-CG2 3.72Å; I264-V277 HydrophobicContact CG2-CG1 4.02Å; V266-V277 HydrophobicContact CG2-CB 4.25Å; V266-V277 HydrophobicContact CG2-CG1 4.13Å; V266-V277 HydrophobicContact CG2-CG2 4.09Å; L273-V277 HydrophobicContact CD1-CG2 3.89Å; L273-V277 HydrophobicContact CG-CG2 4.2Å; L273-V277 WeakPolarHBondContact O-CB 3.46Å; L273-V277 VanDerWaalsContact O-CG2 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 3.07Å; Y274-V277 PolarHBondContact O-N 3.44Å; V277-S279 VanDerWaalsContact C-N 3.29Å; V277-S279 PolarHBondContact O-N 3.26Å; V277-F280 PolarHBondContact O-N 3.48Å; V277-F280 VanDerWaalsContact O-N 3.08Å; V277-I281 HydrophobicContact CG1-CG2 4.04Å; V277-I281 WeakPolarHBondContact O-CG1 3.29Å; V277-I281 WeakPolarHBondContact O-CG2 3.39Å; V277-I281 PolarHBondContact O-N 2.89Å; V277-L290 HydrophobicContact CG1-CD1 4.03Å; V277-L290 HydrophobicContact CG1-CD2 4.42Å |
| 278 | K | 94.8 | Very high | 93 | Very high | 124 Ų | 124 | 63.4 Ų | 63.4 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.8 | -173.9 | 177.3 | -178.3 | 178.9 | 0 | 112.2 | Y274 T275 M276 I281 L290 | Y274-K278 HydrophobicContact CE1-CD 4.11Å; Y274-K278 WeakPolarHBondContact O-CB 3.15Å; Y274-K278 PolarHBondContact O-N 3.22Å; T275-K278 PolarHBondContact O-N 3.35Å; M276-K278 PolarHBondContact O-N 2.88Å; K278-I281 WeakPolarHBondContact O-CG1 3.41Å; K278-L290 HydrophobicContact CB-CD2 3.89Å; K278-L290 HydrophobicContact CG-CD2 4.21Å |
| 279 | S | 93.7 | Very high | 93.1 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.4 | -39.8 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | T275 M276 V277 | T275-S279 PolarHBondContact O-N 2.68Å; M276-S279 PolarHBondContact O-N 3.45Å; V277-S279 VanDerWaalsContact C-N 3.29Å; V277-S279 PolarHBondContact O-N 3.26Å |
| 280 | F | 91.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.2 | -46.3 | -176.7 | 171 | -105 | 0 | 0 | 0 | 113.1 | W245 R249 F252 M276 V277 G282 N283 Y284 | W245-F280 HydrophobicContact CH2-CB 3.43Å; W245-F280 VanDerWaalsContact CH2-CB 3.43Å; W245-F280 AromaticContact CH2-CD1 3.61Å; W245-F280 HydrophobicContact CH2-CD1 3.61Å; W245-F280 AromaticContact CH2-CD2 3.91Å; W245-F280 HydrophobicContact CH2-CD2 3.91Å; W245-F280 HydrophobicContact CH2-CE1 4.26Å; W245-F280 AromaticContact CH2-CG 3.38Å; W245-F280 HydrophobicContact CH2-CG 3.38Å; W245-F280 HydrophobicContact CZ2-CB 3.62Å; W245-F280 HydrophobicContact CZ2-CD1 4.33Å; W245-F280 AromaticContact CZ2-CD2 3.79Å; W245-F280 HydrophobicContact CZ2-CD2 3.79Å; W245-F280 AromaticContact CZ2-CG 3.68Å; W245-F280 HydrophobicContact CZ2-CG 3.68Å; R249-F280 HydrophobicContact CG-CE2 3.84Å; R249-F280 HydrophobicContact CG-CZ 4.12Å; F252-F280 HydrophobicContact CB-CE1 4.44Å; F252-F280 AromaticContact CD1-CE1 3.51Å; F252-F280 HydrophobicContact CD1-CE1 3.51Å; F252-F280 AromaticContact CD1-CZ 3.76Å; F252-F280 HydrophobicContact CD1-CZ 3.76Å; F252-F280 AromaticContact CE1-CE1 3.93Å; F252-F280 HydrophobicContact CE1-CE1 3.93Å; F252-F280 HydrophobicContact CE1-CZ 4.33Å; F252-F280 HydrophobicContact CG-CE1 4Å; F252-F280 HydrophobicContact CG-CZ 4.48Å; M276-F280 WeakPolarHBondContact O-CB 3.17Å; M276-F280 PolarHBondContact O-N 3.21Å; V277-F280 PolarHBondContact O-N 3.48Å; V277-F280 VanDerWaalsContact O-N 3.08Å; F280-G282 PolarHBondContact O-N 2.82Å; F280-N283 PolarHBondContact O-N 3.46Å; F280-N283 PolarHBondContact O-ND2 3.31Å; F280-Y284 HydrophobicContact CD1-CE2 4.15Å; F280-Y284 HydrophobicContact CD2-CE2 4.41Å; F280-Y284 HydrophobicContact CE1-CD2 4.41Å; F280-Y284 AromaticContact CE1-CE2 3.62Å; F280-Y284 HydrophobicContact CE1-CE2 3.62Å; F280-Y284 AromaticContact CE2-CE2 3.89Å; F280-Y284 HydrophobicContact CE2-CE2 3.89Å; F280-Y284 AromaticContact CZ-CE2 3.48Å; F280-Y284 HydrophobicContact CZ-CE2 3.48Å; F280-Y284 VanDerWaalsContact CZ-CE2 3.48Å; F280-Y284 AromaticContact CZ-CZ 3.83Å; F280-Y284 WeakPolarHBondContact CZ-OH 3.17Å |
| 281 | I | 93 | Very high | 93.7 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -19.1 | -178.6 | 68.7 | -179.1 | 0 | 0 | 0 | 112.9 | I264 V277 K278 N283 Y284 V288 L290 | I264-I281 HydrophobicContact CD1-CG2 3.8Å; V277-I281 HydrophobicContact CG1-CG2 4.04Å; V277-I281 WeakPolarHBondContact O-CG1 3.29Å; V277-I281 WeakPolarHBondContact O-CG2 3.39Å; V277-I281 PolarHBondContact O-N 2.89Å; K278-I281 WeakPolarHBondContact O-CG1 3.41Å; I281-N283 PolarHBondContact O-N 3.25Å; I281-Y284 PolarHBondContact O-N 2.82Å; I281-V288 HydrophobicContact CB-CG1 4.1Å; I281-V288 HydrophobicContact CG2-CG1 3.88Å; I281-L290 HydrophobicContact CD1-CB 3.21Å; I281-L290 HydrophobicContact CD1-CD2 3.6Å; I281-L290 HydrophobicContact CD1-CG 4.01Å |
| 282 | G | 90.4 | Very high | 93.9 | Very high | 63 Ų | 63 | 61 Ų | 61 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -15.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F280 | F280-G282 PolarHBondContact O-N 2.82Š|
| 283 | N | 89.8 | Confident | 94.2 | Very high | 136 Ų | 136 | 57.4 Ų | 57.4 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.4 | 175.9 | -57.7 | -45.1 | 0 | 0 | 0 | 113.8 | F280 I281 | F280-N283 PolarHBondContact O-N 3.46Å; F280-N283 PolarHBondContact O-ND2 3.31Å; I281-N283 PolarHBondContact O-N 3.25Å |
| 284 | Y | 94.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 60 Ų | 60 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -109.4 | 156.8 | -175.2 | -74.3 | -88.6 | 0 | 0 | 0 | 112.4 | F252 Y256 F280 I281 V288 | F252-Y284 HydrophobicContact CD1-CE2 4.49Å; F252-Y284 HydrophobicContact CE1-CD1 4.12Å; F252-Y284 HydrophobicContact CE1-CD2 4.37Å; F252-Y284 AromaticContact CE1-CE1 3.67Å; F252-Y284 HydrophobicContact CE1-CE1 3.67Å; F252-Y284 AromaticContact CE1-CE2 3.94Å; F252-Y284 HydrophobicContact CE1-CE2 3.94Å; F252-Y284 HydrophobicContact CE1-CG 4.44Å; F252-Y284 AromaticContact CE1-CZ 3.56Å; Y256-Y284 AromaticContact CD1-CE1 3.98Å; Y256-Y284 HydrophobicContact CD1-CE1 3.98Å; Y256-Y284 AromaticContact CD2-CD1 3.87Å; Y256-Y284 HydrophobicContact CD2-CD1 3.87Å; Y256-Y284 AromaticContact CD2-CE1 3.72Å; Y256-Y284 HydrophobicContact CD2-CE1 3.72Å; Y256-Y284 HydrophobicContact CE1-CD1 4.14Å; Y256-Y284 AromaticContact CE1-CE1 3.92Å; Y256-Y284 HydrophobicContact CE1-CE1 3.92Å; Y256-Y284 AromaticContact CE2-CD1 3.37Å; Y256-Y284 HydrophobicContact CE2-CD1 3.37Å; Y256-Y284 AromaticContact CE2-CE1 3.67Å; Y256-Y284 HydrophobicContact CE2-CE1 3.67Å; Y256-Y284 HydrophobicContact CG-CD1 4.44Å; Y256-Y284 AromaticContact CG-CE1 3.87Å; Y256-Y284 HydrophobicContact CG-CE1 3.87Å; Y256-Y284 AromaticContact CZ-CD1 3.52Å; Y256-Y284 AromaticContact CZ-CE1 3.76Å; F280-Y284 HydrophobicContact CD1-CE2 4.15Å; F280-Y284 HydrophobicContact CD2-CE2 4.41Å; F280-Y284 HydrophobicContact CE1-CD2 4.41Å; F280-Y284 AromaticContact CE1-CE2 3.62Å; F280-Y284 HydrophobicContact CE1-CE2 3.62Å; F280-Y284 AromaticContact CE2-CE2 3.89Å; F280-Y284 HydrophobicContact CE2-CE2 3.89Å; F280-Y284 AromaticContact CZ-CE2 3.48Å; F280-Y284 HydrophobicContact CZ-CE2 3.48Å; F280-Y284 VanDerWaalsContact CZ-CE2 3.48Å; F280-Y284 AromaticContact CZ-CZ 3.83Å; F280-Y284 WeakPolarHBondContact CZ-OH 3.17Å; I281-Y284 PolarHBondContact O-N 2.82Å; Y284-V288 HydrophobicContact CD1-CG2 4.2Å; Y284-V288 HydrophobicContact CG-CG2 4.08Å |
| 285 | P | 94.8 | Very high | 94.6 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | trans | -71 | 178.7 | 177.2 | 3.8 | 9.8 | 0 | 0 | 0 | 112.3 | Y256 N287 V288 | Y256-P285 VanDerWaalsContact OH-CD 3.24Å; Y256-P285 WeakPolarHBondContact OH-CD 3.37Å; Y256-P285 WeakPolarHBondContact OH-CG 3.5Å; P285-N287 WeakPolarHBondContact CB-OD1 3.27Å; P285-N287 WeakPolarHBondContact CD-OD1 3.29Å; P285-N287 WeakPolarHBondContact CG-OD1 3.45Å; P285-N287 PolarHBondContact O-N 3.39Å; P285-N287 PolarHBondContact O-OD1 2.77Å; P285-V288 PolarHBondContact O-N 3.02Å | ||
| 286 | S | 94.2 | Very high | 94.6 | Very high | 107 Ų | 107 | 55.9 Ų | 55.9 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -3.6 | 179.7 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | V288 W321 | S286-V288 PolarHBondContact O-N 3.22Å; S286-W321 PolarHBondContact O-NE1 3.06Å |
| 287 | N | 97.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.064 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.5 | 169.9 | 69.7 | -46.5 | 0 | 0 | 0 | 112.6 | H260 Y261 Y262 P285 | H260-N287 PolarHBondContact O-ND2 3.36Å; Y261-N287 CarbonylContact C-O 3.53Å; Y261-N287 VanDerWaalsContact CA-O 3.28Å; Y261-N287 WeakPolarHBondContact CA-O 3.43Å; Y261-N287 HydrophobicContact CD1-CB 3.87Å; Y261-N287 HydrophobicContact CE1-CB 4.45Å; Y262-N287 PolarHBondContact N-O 3.09Å; P285-N287 WeakPolarHBondContact CB-OD1 3.27Å; P285-N287 WeakPolarHBondContact CD-OD1 3.29Å; P285-N287 WeakPolarHBondContact CG-OD1 3.45Å; P285-N287 PolarHBondContact O-N 3.39Å; P285-N287 PolarHBondContact O-OD1 2.77Å |
| 288 | V | 98.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.2 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | F252 Y256 Y262 I264 I281 Y284 P285 S286 | F252-V288 HydrophobicContact CE2-CG1 4.35Å; F252-V288 HydrophobicContact CZ-CG1 3.96Å; F252-V288 HydrophobicContact CZ-CG2 3.85Å; Y256-V288 HydrophobicContact CD2-CG2 4.49Å; Y256-V288 HydrophobicContact CE2-CG2 3.95Å; Y262-V288 HydrophobicContact CD2-CG2 3.89Å; Y262-V288 HydrophobicContact CG-CG2 4.32Å; I264-V288 HydrophobicContact CD1-CG1 3.62Å; I281-V288 HydrophobicContact CB-CG1 4.1Å; I281-V288 HydrophobicContact CG2-CG1 3.88Å; Y284-V288 HydrophobicContact CD1-CG2 4.2Å; Y284-V288 HydrophobicContact CG-CG2 4.08Å; P285-V288 PolarHBondContact O-N 3.02Å; S286-V288 PolarHBondContact O-N 3.22Å |
| 289 | Y | 97.8 | Very high | 94 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.9 | -175.1 | -177.1 | -101.6 | 0 | 0 | 0 | 111.2 | Y262 Y263 I264 M318 | Y262-Y289 PolarHBondContact O-N 3.36Å; Y263-Y289 AromaticContact CD2-CD1 3.84Å; Y263-Y289 HydrophobicContact CD2-CD1 3.84Å; Y263-Y289 AromaticContact CE2-CD1 3.7Å; Y263-Y289 HydrophobicContact CE2-CD1 3.7Å; Y263-Y289 AromaticContact CE2-CE1 3.94Å; Y263-Y289 HydrophobicContact CE2-CE1 3.94Å; I264-Y289 WeakPolarHBondContact CB-O 3.5Å; I264-Y289 PolarHBondContact N-O 3.28Å; Y289-M318 HydrophobicContact CD1-CE 3.42Å; Y289-M318 VanDerWaalsContact CD1-CE 3.42Å; Y289-M318 HydrophobicContact CD1-SD 4.45Å; Y289-M318 HydrophobicContact CD2-CE 3.85Å; Y289-M318 HydrophobicContact CD2-SD 4.4Å; Y289-M318 HydrophobicContact CE1-CE 3.32Å; Y289-M318 HydrophobicContact CE2-CE 3.78Å; Y289-M318 HydrophobicContact CG-CE 3.68Å; Y289-M318 HydrophobicContact CG-SD 4.24Å |
| 290 | L | 97.5 | Very high | 94 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.1 | 173.3 | 175.4 | 65.2 | 0 | 0 | 0 | 109.7 | I264 V266 Y274 V277 K278 I281 | I264-L290 HydrophobicContact CB-CD1 4.27Å; I264-L290 HydrophobicContact CG2-CD1 3.99Å; I264-L290 WeakPolarHBondContact O-CA 3.48Å; I264-L290 WeakPolarHBondContact O-CD1 3.36Å; V266-L290 HydrophobicContact CG2-CD1 4.03Å; Y274-L290 HydrophobicContact CD2-CD1 4.26Å; Y274-L290 HydrophobicContact CD2-CD2 4.15Å; Y274-L290 HydrophobicContact CE2-CD1 4.02Å; Y274-L290 HydrophobicContact CE2-CD2 3.53Å; Y274-L290 HydrophobicContact CE2-CG 3.9Å; V277-L290 HydrophobicContact CG1-CD1 4.03Å; V277-L290 HydrophobicContact CG1-CD2 4.42Å; K278-L290 HydrophobicContact CB-CD2 3.89Å; K278-L290 HydrophobicContact CG-CD2 4.21Å; I281-L290 HydrophobicContact CD1-CB 3.21Å; I281-L290 HydrophobicContact CD1-CD2 3.6Å; I281-L290 HydrophobicContact CD1-CG 4.01Å |
| 291 | T | 97.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | trans | -84.2 | 174.1 | -173.6 | -171 | 0 | 0 | 0 | 0 | 113.5 | Y263 I264 H265 | Y263-T291 HydrophobicContact CD1-CG2 4.13Å; Y263-T291 HydrophobicContact CE1-CG2 3.37Å; Y263-T291 VanDerWaalsContact CZ-CB 3.42Å; Y263-T291 VanDerWaalsContact OH-CB 3.26Å; Y263-T291 WeakPolarHBondContact OH-CB 3.48Å; Y263-T291 PolarHBondContact OH-OG1 2.78Å; I264-T291 WeakPolarHBondContact O-CG2 3.34Å; I264-T291 PolarHBondContact O-N 2.96Å; H265-T291 HydrophobicContact CB-CG2 3.83Å | ||
| 292 | S | 95.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | trans | -55.2 | 150.8 | 163 | 69.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 293 | R | 96.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | trans | -104.3 | 135.9 | -167.5 | -56.3 | 172.3 | 72.5 | -165.5 | -5.4 | 110.5 | V266 D267 A268 C270 Y274 | V266-R293 WeakPolarHBondContact O-CG 3.43Å; V266-R293 PolarHBondContact O-NE 3.11Å; V266-R293 VanDerWaalsContact O-NE 3.17Å; D267-R293 PolarHBondContact O-NH2 3.28Å; A268-R293 VanDerWaalsContact CA-NH2 3.28Å; A268-R293 HydrophobicContact CB-CB 3.87Å; A268-R293 PolarHBondContact O-NH2 2.85Å; C270-R293 PolarHBondContact O-NH2 3.41Å; Y274-R293 VanDerWaalsContact CD2-CD 3.47Å; Y274-R293 HydrophobicContact CD2-CG 4.17Å; Y274-R293 HydrophobicContact CE2-CG 4.03Å | ||
| 294 | F | 95.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 25% | 0.254 | 21% | 0.21 | S | C | . | . | trans | -111.1 | 162.1 | 169.3 | -63.4 | -104.5 | 0 | 0 | 0 | 109 | H265 A268 P296 M306 | H265-F294 AromaticContact CD2-CD2 3.85Å; H265-F294 WeakPolarHBondContact NE2-CB 3.36Å; H265-F294 AromaticContact NE2-CD2 3.72Å; H265-F294 PolarHBondContact NE2-N 3.43Å; A268-F294 PolarHBondContact N-O 3.04Å; F294-P296 WeakPolarHBondContact O-CD 3.37Å; F294-M306 HydrophobicContact CB-CB 4.14Å; F294-M306 HydrophobicContact CB-CG 4Å; F294-M306 HydrophobicContact CD1-CB 4.19Å; F294-M306 HydrophobicContact CD2-CB 4.15Å; F294-M306 HydrophobicContact CD2-CG 3.68Å; F294-M306 HydrophobicContact CE2-CG 4.32Å; F294-M306 HydrophobicContact CG-CB 3.91Å; F294-M306 HydrophobicContact CG-CG 3.85Å | ||
| 295 | S | 94.7 | Very high | 95.1 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | trans | -108.3 | 61 | 168.2 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | A268 | A268-S295 WeakPolarHBondContact CB-OG 3.09Š| ||
| 296 | P | 93.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | trans | -66.3 | 149.9 | -171.2 | 31.7 | -37.1 | 0 | 0 | 0 | 111.4 | R269 F294 S302 L303 M306 | R269-P296 PolarHBondContact NH2-O 3.08Å; F294-P296 WeakPolarHBondContact O-CD 3.37Å; P296-S302 WeakPolarHBondContact CA-OG 3.35Å; P296-L303 HydrophobicContact CB-CB 4.05Å; P296-L303 HydrophobicContact CB-CD1 3.69Å; P296-L303 HydrophobicContact CB-CG 4.48Å; P296-L303 HydrophobicContact CG-CD1 4.16Å; P296-M306 HydrophobicContact CB-CB 4.46Å; P296-M306 HydrophobicContact CG-SD 4.25Å | ||
| 297 | I | 90.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | -119.2 | 127.9 | 179.5 | -57.2 | -172.2 | 0 | 0 | 0 | 108.8 | G299 G300 S302 S380 V382 | I297-G299 PolarHBondContact O-N 3.37Å; I297-G300 WeakPolarHBondContact O-CA 3.24Å; I297-G300 PolarHBondContact O-N 2.95Å; I297-S302 PolarHBondContact N-OG 3.24Å; I297-S380 WeakPolarHBondContact CD1-O 3.48Å; I297-V382 HydrophobicContact CG2-CG2 4.46Å | ||
| 298 | W | 87.9 | Confident | 95.5 | Very high | 90 Ų | 90 | 32.2 Ų | 32.2 | 34% | 0.341 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 135.6 | 173.5 | -174.8 | 57.4 | 0 | 0 | 0 | 109.9 | G300 L433 W478 C481 | W298-G300 PolarHBondContact O-N 3.33Å; W298-L433 HydrophobicContact CD2-CD2 4.3Å; W298-L433 HydrophobicContact CZ2-CD2 4.04Å; W298-W478 HydrophobicContact CD2-CH2 4.22Å; W298-W478 HydrophobicContact CD2-CZ3 4.48Å; W298-W478 AromaticContact CE3-CH2 3.71Å; W298-W478 HydrophobicContact CE3-CH2 3.71Å; W298-W478 AromaticContact CE3-CZ3 3.99Å; W298-W478 HydrophobicContact CE3-CZ3 3.99Å; W298-W478 HydrophobicContact CZ3-CH2 4.24Å; W298-W478 HydrophobicContact CZ3-CZ3 4.11Å; W298-W478 WeakPolarHBondContact O-CH2 3.43Å; W298-W478 WeakPolarHBondContact O-CZ2 3.38Å; W298-C481 WeakPolarHBondContact CH2-O 3.39Å |
| 299 | G | 89.9 | Confident | 95.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -17.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I297 L433 | I297-G299 PolarHBondContact O-N 3.37Å; G299-L433 PolarHBondContact O-N 2.67Å |
| 300 | G | 93 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -97.9 | 165.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I297 W298 S302 E377 P434 | I297-G300 WeakPolarHBondContact O-CA 3.24Å; I297-G300 PolarHBondContact O-N 2.95Å; W298-G300 PolarHBondContact O-N 3.33Å; G300-S302 VanDerWaalsContact C-N 3.34Å; G300-E377 WeakPolarHBondContact CA-OE2 3.44Å; G300-P434 VanDerWaalsContact O-CG 3.29Å; G300-P434 WeakPolarHBondContact O-CG 3.36Å |
| 301 | Q | 94.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.7 | -30.8 | 176.5 | 175.2 | 59.3 | 22.1 | 0 | 0 | 112.4 | L303 L304 D305 E377 F428 R429 | Q301-L303 PolarHBondContact O-N 2.87Å; Q301-L303 VanDerWaalsContact O-N 3.15Å; Q301-L304 WeakPolarHBondContact O-CA 3.48Å; Q301-L304 WeakPolarHBondContact O-CB 3.21Å; Q301-L304 PolarHBondContact O-N 3.08Å; Q301-D305 PolarHBondContact NE2-OD1 2.89Å; Q301-D305 PolarHBondContact O-N 2.92Å; Q301-E377 PolarHBondContact N-OE2 3.5Å; Q301-F428 PolarHBondContact OE1-O 2.83Å; Q301-R429 HydrophobicContact CG-CG 4.24Å |
| 302 | S | 96.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -28.7 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 113 | P296 I297 G300 M306 E377 | P296-S302 WeakPolarHBondContact CA-OG 3.35Å; I297-S302 PolarHBondContact N-OG 3.24Å; G300-S302 VanDerWaalsContact C-N 3.34Å; S302-M306 WeakPolarHBondContact O-CB 3.4Å; S302-M306 PolarHBondContact O-N 3.26Å; S302-E377 WeakPolarHBondContact CB-OE1 3.49Å; S302-E377 WeakPolarHBondContact CB-OE2 3.28Å; S302-E377 PolarHBondContact N-OE2 3.05Å; S302-E377 PolarHBondContact OG-OE1 3.17Å; S302-E377 PolarHBondContact OG-OE2 3.01Å |
| 303 | L | 96.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.6 | -43.9 | 172.6 | -173.3 | 64.5 | 0 | 0 | 0 | 111.3 | P296 Q301 M306 F307 V435 | P296-L303 HydrophobicContact CB-CB 4.05Å; P296-L303 HydrophobicContact CB-CD1 3.69Å; P296-L303 HydrophobicContact CB-CG 4.48Å; P296-L303 HydrophobicContact CG-CD1 4.16Å; Q301-L303 PolarHBondContact O-N 2.87Å; Q301-L303 VanDerWaalsContact O-N 3.15Å; L303-M306 HydrophobicContact CD1-CE 4.46Å; L303-M306 PolarHBondContact O-N 3.26Å; L303-F307 HydrophobicContact CD1-CD2 4.29Å; L303-F307 HydrophobicContact CD1-CE2 3.93Å; L303-F307 HydrophobicContact CG-CD2 4.17Å; L303-F307 HydrophobicContact CG-CE2 4.06Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.16Å; L303-F307 PolarHBondContact O-N 2.98Å; L303-V435 HydrophobicContact CB-CG2 4.18Å; L303-V435 HydrophobicContact CD2-CB 4.49Å; L303-V435 HydrophobicContact CD2-CG2 4.11Å; L303-V435 HydrophobicContact CG-CG2 3.87Å |
| 304 | L | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.8 | 179.2 | 59.5 | 0 | 0 | 0 | 111.5 | Q301 M306 F307 L308 F428 P434 V435 F438 F439 | Q301-L304 WeakPolarHBondContact O-CA 3.48Å; Q301-L304 WeakPolarHBondContact O-CB 3.21Å; Q301-L304 PolarHBondContact O-N 3.08Å; L304-M306 VanDerWaalsContact C-N 3.32Å; L304-M306 PolarHBondContact O-N 3.33Å; L304-F307 PolarHBondContact O-N 2.95Å; L304-F307 VanDerWaalsContact O-N 3.15Å; L304-L308 HydrophobicContact CD1-CD1 4.14Å; L304-L308 HydrophobicContact CD1-CG 3.99Å; L304-L308 HydrophobicContact CG-CD1 3.96Å; L304-L308 HydrophobicContact CG-CG 4.26Å; L304-L308 WeakPolarHBondContact O-CG 3.24Å; L304-L308 PolarHBondContact O-N 3.48Å; L304-F428 HydrophobicContact CD2-CB 4.06Å; L304-P434 HydrophobicContact CB-CB 4.36Å; L304-P434 HydrophobicContact CB-CG 4.19Å; L304-P434 HydrophobicContact CD2-CB 3.99Å; L304-V435 VanDerWaalsContact CA-CG2 3.45Å; L304-V435 HydrophobicContact CB-CG2 3.69Å; L304-V435 HydrophobicContact CD1-CG2 4.18Å; L304-F438 HydrophobicContact CD1-CB 4.07Å; L304-F438 HydrophobicContact CD1-CD1 3.64Å; L304-F438 HydrophobicContact CD1-CE1 4.27Å; L304-F438 HydrophobicContact CD1-CG 3.86Å; L304-F438 HydrophobicContact CD2-CB 3.92Å; L304-F438 HydrophobicContact CD2-CD1 4.36Å; L304-F438 HydrophobicContact CD2-CD2 3.91Å; L304-F438 HydrophobicContact CD2-CG 3.79Å; L304-F439 HydrophobicContact CD1-CE2 3.85Å; L304-F439 HydrophobicContact CD1-CZ 4.2Å |
| 305 | D | 97.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 25.7 Ų | 25.7 | 31% | 0.31 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.1 | -69.9 | -21.5 | 0 | 0 | 0 | 111.6 | Q301 F307 L308 S309 | Q301-D305 PolarHBondContact NE2-OD1 2.89Å; Q301-D305 PolarHBondContact O-N 2.92Å; D305-F307 PolarHBondContact O-N 3.39Å; D305-L308 PolarHBondContact O-N 2.88Å; D305-S309 VanDerWaalsContact O-CB 3.23Å; D305-S309 WeakPolarHBondContact O-CB 3.49Å; D305-S309 PolarHBondContact O-N 3.45Å |
| 306 | M | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.2 | -179.7 | -128.5 | 66.6 | 0 | 0 | 111.2 | V239 F294 P296 S302 L303 L304 S310 | V239-M306 HydrophobicContact CG1-CE 4.28Å; V239-M306 HydrophobicContact CG1-SD 3.84Å; V239-M306 HydrophobicContact CG2-CE 3.82Å; V239-M306 HydrophobicContact CG2-SD 4.24Å; F294-M306 HydrophobicContact CB-CB 4.14Å; F294-M306 HydrophobicContact CB-CG 4Å; F294-M306 HydrophobicContact CD1-CB 4.19Å; F294-M306 HydrophobicContact CD2-CB 4.15Å; F294-M306 HydrophobicContact CD2-CG 3.68Å; F294-M306 HydrophobicContact CE2-CG 4.32Å; F294-M306 HydrophobicContact CG-CB 3.91Å; F294-M306 HydrophobicContact CG-CG 3.85Å; P296-M306 HydrophobicContact CB-CB 4.46Å; P296-M306 HydrophobicContact CG-SD 4.25Å; S302-M306 WeakPolarHBondContact O-CB 3.4Å; S302-M306 PolarHBondContact O-N 3.26Å; L303-M306 HydrophobicContact CD1-CE 4.46Å; L303-M306 PolarHBondContact O-N 3.26Å; L304-M306 VanDerWaalsContact C-N 3.32Å; L304-M306 PolarHBondContact O-N 3.33Å; M306-S310 VanDerWaalsContact O-CB 3.29Å; M306-S310 WeakPolarHBondContact O-CB 3.08Å; M306-S310 PolarHBondContact O-N 3.23Å; M306-S310 PolarHBondContact O-OG 3.47Å |
| 307 | F | 98.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 177.5 | -90 | -72.9 | 0 | 0 | 0 | 111.4 | L237 V239 L303 L304 D305 S309 S310 L311 N328 M403 V435 F439 | L237-F307 HydrophobicContact CD2-CD1 3.49Å; L237-F307 VanDerWaalsContact CD2-CD1 3.49Å; L237-F307 HydrophobicContact CD2-CE1 3.58Å; L237-F307 HydrophobicContact CG-CE1 4.29Å; V239-F307 HydrophobicContact CG2-CE1 4.22Å; V239-F307 HydrophobicContact CG2-CZ 3.98Å; L303-F307 HydrophobicContact CD1-CD2 4.29Å; L303-F307 HydrophobicContact CD1-CE2 3.93Å; L303-F307 HydrophobicContact CG-CD2 4.17Å; L303-F307 HydrophobicContact CG-CE2 4.06Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.16Å; L303-F307 PolarHBondContact O-N 2.98Å; L304-F307 PolarHBondContact O-N 2.95Å; L304-F307 VanDerWaalsContact O-N 3.15Å; D305-F307 PolarHBondContact O-N 3.39Å; F307-S309 PolarHBondContact O-N 2.76Å; F307-S310 PolarHBondContact O-N 3.18Å; F307-L311 WeakPolarHBondContact O-CB 3.19Å; F307-L311 VanDerWaalsContact O-CG 3.27Å; F307-L311 WeakPolarHBondContact O-CG 3.27Å; F307-L311 PolarHBondContact O-N 2.73Å; F307-N328 HydrophobicContact CE1-CB 3.57Å; F307-N328 HydrophobicContact CZ-CB 3.98Å; F307-M403 HydrophobicContact CD1-CE 4.05Å; F307-M403 HydrophobicContact CE1-CE 3.87Å; F307-M403 HydrophobicContact CG-CE 4.48Å; F307-M403 HydrophobicContact CZ-CE 4.13Å; F307-V435 HydrophobicContact CD2-CG1 3.89Å; F307-V435 HydrophobicContact CD2-CG2 3.95Å; F307-V435 HydrophobicContact CE2-CG1 3.94Å; F307-V435 HydrophobicContact CE2-CG2 4.47Å; F307-F439 HydrophobicContact CB-CE2 4.43Å; F307-F439 HydrophobicContact CB-CZ 4.28Å |
| 308 | L | 98.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 179.2 | -68.7 | 176.4 | 0 | 0 | 0 | 111.9 | L304 D305 K312 V413 F438 F439 | L304-L308 HydrophobicContact CD1-CD1 4.14Å; L304-L308 HydrophobicContact CD1-CG 3.99Å; L304-L308 HydrophobicContact CG-CD1 3.96Å; L304-L308 HydrophobicContact CG-CG 4.26Å; L304-L308 WeakPolarHBondContact O-CG 3.24Å; L304-L308 PolarHBondContact O-N 3.48Å; D305-L308 PolarHBondContact O-N 2.88Å; L308-K312 VanDerWaalsContact O-CB 3.28Å; L308-K312 WeakPolarHBondContact O-CB 3.34Å; L308-K312 PolarHBondContact O-N 2.9Å; L308-V413 HydrophobicContact CD2-CG1 3.6Å; L308-F438 HydrophobicContact CD2-CE1 3.86Å; L308-F438 HydrophobicContact CD2-CZ 4.24Å; L308-F439 HydrophobicContact CD2-CE1 4.48Å; L308-F439 HydrophobicContact CD2-CZ 4.34Å |
| 309 | S | 97.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 35% | 0.35 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.9 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | D305 F307 K312 D313 | D305-S309 VanDerWaalsContact O-CB 3.23Å; D305-S309 WeakPolarHBondContact O-CB 3.49Å; D305-S309 PolarHBondContact O-N 3.45Å; F307-S309 PolarHBondContact O-N 2.76Å; S309-K312 PolarHBondContact O-N 3.29Å; S309-D313 WeakPolarHBondContact O-CB 3.36Å; S309-D313 PolarHBondContact O-N 3.46Å |
| 310 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111 | M306 F307 K312 D313 I314 | M306-S310 VanDerWaalsContact O-CB 3.29Å; M306-S310 WeakPolarHBondContact O-CB 3.08Å; M306-S310 PolarHBondContact O-N 3.23Å; M306-S310 PolarHBondContact O-OG 3.47Å; F307-S310 PolarHBondContact O-N 3.18Å; S310-K312 VanDerWaalsContact C-N 3.32Å; S310-K312 PolarHBondContact O-N 3.04Å; S310-D313 PolarHBondContact O-N 3.03Å; S310-I314 WeakPolarHBondContact O-CB 3.36Å; S310-I314 WeakPolarHBondContact O-CD1 3.42Å; S310-I314 WeakPolarHBondContact O-CG1 3.15Å; S310-I314 PolarHBondContact O-N 3Å |
| 311 | L | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.3 | -70.6 | 178.3 | 0 | 0 | 0 | 111.6 | F307 I314 S315 V326 L405 V410 I414 F439 | F307-L311 WeakPolarHBondContact O-CB 3.19Å; F307-L311 VanDerWaalsContact O-CG 3.27Å; F307-L311 WeakPolarHBondContact O-CG 3.27Å; F307-L311 PolarHBondContact O-N 2.73Å; L311-I314 PolarHBondContact O-N 3.37Å; L311-S315 WeakPolarHBondContact O-CB 3.27Å; L311-S315 PolarHBondContact O-N 2.91Å; L311-S315 PolarHBondContact O-OG 3.16Å; L311-V326 HydrophobicContact CD2-CB 4.2Å; L311-V326 HydrophobicContact CD2-CG1 3.93Å; L311-V326 HydrophobicContact CD2-CG2 3.91Å; L311-L405 HydrophobicContact CD1-CD1 4.41Å; L311-V410 HydrophobicContact CB-CG1 4.03Å; L311-V410 HydrophobicContact CD1-CG1 4.46Å; L311-V410 HydrophobicContact CD2-CG1 3.94Å; L311-V410 HydrophobicContact CD2-CG2 4.11Å; L311-V410 HydrophobicContact CG-CG1 4.36Å; L311-I414 HydrophobicContact CB-CD1 3.92Å; L311-I414 HydrophobicContact CB-CG1 4.23Å; L311-F439 HydrophobicContact CD1-CE1 3.8Å; L311-F439 HydrophobicContact CD1-CZ 3.95Å |
| 312 | K | 97.7 | Very high | 96.8 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 174.4 | -177.6 | 173.6 | -178.9 | -179.6 | 0 | 111.8 | L308 S309 S310 S315 L316 I414 | L308-K312 VanDerWaalsContact O-CB 3.28Å; L308-K312 WeakPolarHBondContact O-CB 3.34Å; L308-K312 PolarHBondContact O-N 2.9Å; S309-K312 PolarHBondContact O-N 3.29Å; S310-K312 VanDerWaalsContact C-N 3.32Å; S310-K312 PolarHBondContact O-N 3.04Å; K312-S315 PolarHBondContact O-N 2.78Å; K312-L316 HydrophobicContact CD-CD1 4.23Å; K312-L316 HydrophobicContact CG-CD1 3.59Å; K312-L316 HydrophobicContact CG-CG 4.36Å; K312-L316 VanDerWaalsContact O-CB 3.3Å; K312-L316 WeakPolarHBondContact O-CB 3.47Å; K312-L316 WeakPolarHBondContact O-CG 3.17Å; K312-L316 PolarHBondContact O-N 3.24Å; K312-I414 HydrophobicContact CB-CD1 3.99Å; K312-I414 HydrophobicContact CB-CG2 4.17Å; K312-I414 HydrophobicContact CG-CG2 4.08Å |
| 313 | D | 98 | Very high | 96.8 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 179.5 | -168.4 | 45.5 | 0 | 0 | 0 | 111.8 | Y263 S309 S310 S315 L316 N317 M318 | Y263-D313 HydrophobicContact CE2-CB 4.24Å; Y263-D313 WeakPolarHBondContact CE2-OD2 3.43Å; Y263-D313 VanDerWaalsContact CZ-OD2 3.26Å; Y263-D313 WeakPolarHBondContact OH-CB 3.47Å; Y263-D313 VanDerWaalsContact OH-CG 3.32Å; Y263-D313 PolarHBondContact OH-OD2 3.47Å; S309-D313 WeakPolarHBondContact O-CB 3.36Å; S309-D313 PolarHBondContact O-N 3.46Å; S310-D313 PolarHBondContact O-N 3.03Å; D313-S315 VanDerWaalsContact C-N 3.33Å; D313-S315 PolarHBondContact O-N 3.21Å; D313-L316 PolarHBondContact O-N 3.41Å; D313-N317 WeakPolarHBondContact O-CA 3.41Å; D313-N317 WeakPolarHBondContact O-CB 3.22Å; D313-N317 PolarHBondContact O-N 2.92Å; D313-N317 WeakPolarHBondContact OD1-CB 3.22Å; D313-N317 PolarHBondContact OD1-ND2 3.22Å; D313-M318 PolarHBondContact O-N 2.93Å |
| 314 | I | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 172.5 | -69.2 | 159.9 | 0 | 0 | 0 | 110.7 | V235 Y263 S310 L311 M318 W323 | V235-I314 HydrophobicContact CG1-CD1 3.84Å; V235-I314 HydrophobicContact CG1-CG1 4.34Å; V235-I314 HydrophobicContact CG1-CG2 4.41Å; V235-I314 HydrophobicContact CG2-CG2 4.2Å; Y263-I314 HydrophobicContact CD1-CD1 4.24Å; Y263-I314 HydrophobicContact CD1-CG1 4.45Å; Y263-I314 HydrophobicContact CD2-CD1 4.06Å; Y263-I314 HydrophobicContact CD2-CG1 3.43Å; Y263-I314 VanDerWaalsContact CD2-CG1 3.43Å; Y263-I314 HydrophobicContact CE2-CG1 3.82Å; Y263-I314 HydrophobicContact CG-CD1 3.84Å; Y263-I314 HydrophobicContact CG-CG1 3.77Å; S310-I314 WeakPolarHBondContact O-CB 3.36Å; S310-I314 WeakPolarHBondContact O-CD1 3.42Å; S310-I314 WeakPolarHBondContact O-CG1 3.15Å; S310-I314 PolarHBondContact O-N 3Å; L311-I314 PolarHBondContact O-N 3.37Å; I314-M318 WeakPolarHBondContact O-CB 3.17Å; I314-W323 HydrophobicContact CG2-CZ2 3.78Å |
| 315 | S | 95.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.5 | -29.7 | -177.5 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | L311 K312 D313 Y415 | L311-S315 WeakPolarHBondContact O-CB 3.27Å; L311-S315 PolarHBondContact O-N 2.91Å; L311-S315 PolarHBondContact O-OG 3.16Å; K312-S315 PolarHBondContact O-N 2.78Å; D313-S315 VanDerWaalsContact C-N 3.33Å; D313-S315 PolarHBondContact O-N 3.21Å; S315-Y415 VanDerWaalsContact CB-OH 3.3Å; S315-Y415 WeakPolarHBondContact CB-OH 3.33Å; S315-Y415 PolarHBondContact O-OH 3.06Å |
| 316 | L | 95 | Very high | 97 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 41% | 0.414 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -98.9 | -46.9 | -174.8 | -73.1 | 176.8 | 0 | 0 | 0 | 113.8 | K312 D313 Y415 | K312-L316 HydrophobicContact CD-CD1 4.23Å; K312-L316 HydrophobicContact CG-CD1 3.59Å; K312-L316 HydrophobicContact CG-CG 4.36Å; K312-L316 VanDerWaalsContact O-CB 3.3Å; K312-L316 WeakPolarHBondContact O-CB 3.47Å; K312-L316 WeakPolarHBondContact O-CG 3.17Å; K312-L316 PolarHBondContact O-N 3.24Å; D313-L316 PolarHBondContact O-N 3.41Å; L316-Y415 HydrophobicContact CD2-CE1 3.79Å; L316-Y415 WeakPolarHBondContact CD2-OH 3.42Å; L316-Y415 HydrophobicContact CG-CE1 4.32Å |
| 317 | N | 95.8 | Very high | 97 | Very high | 109 Ų | 109 | 39.7 Ų | 39.7 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -19.2 | -168.3 | -66.6 | -30 | 0 | 0 | 0 | 112.7 | D313 S319 | D313-N317 WeakPolarHBondContact O-CA 3.41Å; D313-N317 WeakPolarHBondContact O-CB 3.22Å; D313-N317 PolarHBondContact O-N 2.92Å; D313-N317 WeakPolarHBondContact OD1-CB 3.22Å; D313-N317 PolarHBondContact OD1-ND2 3.22Å; N317-S319 VanDerWaalsContact C-N 3.29Å; N317-S319 PolarHBondContact O-N 3.43Å |
| 318 | M | 96 | Very high | 96.9 | Very high | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | trans | -94.5 | 45.7 | 173.6 | -51.1 | -59.7 | 151.3 | 0 | 0 | 111.7 | Y263 Y289 D313 I314 S320 W321 | Y263-M318 HydrophobicContact CE2-CE 4.2Å; Y289-M318 HydrophobicContact CD1-CE 3.42Å; Y289-M318 VanDerWaalsContact CD1-CE 3.42Å; Y289-M318 HydrophobicContact CD1-SD 4.45Å; Y289-M318 HydrophobicContact CD2-CE 3.85Å; Y289-M318 HydrophobicContact CD2-SD 4.4Å; Y289-M318 HydrophobicContact CE1-CE 3.32Å; Y289-M318 HydrophobicContact CE2-CE 3.78Å; Y289-M318 HydrophobicContact CG-CE 3.68Å; Y289-M318 HydrophobicContact CG-SD 4.24Å; D313-M318 PolarHBondContact O-N 2.93Å; I314-M318 WeakPolarHBondContact O-CB 3.17Å; M318-S320 PolarHBondContact O-N 3.07Å; M318-S320 VanDerWaalsContact O-N 3.1Å; M318-W321 HydrophobicContact CB-CB 4.13Å; M318-W321 HydrophobicContact CB-CD2 3.64Å; M318-W321 HydrophobicContact CB-CE3 3.77Å; M318-W321 HydrophobicContact CB-CG 3.8Å; M318-W321 HydrophobicContact CB-CZ3 4.46Å; M318-W321 HydrophobicContact CG-CD2 4.05Å; M318-W321 HydrophobicContact CG-CE3 3.93Å; M318-W321 HydrophobicContact CG-CH2 4.42Å; M318-W321 HydrophobicContact CG-CZ3 4.11Å; M318-W321 VanDerWaalsContact O-CB 3.31Å; M318-W321 WeakPolarHBondContact O-CB 3.44Å; M318-W321 PolarHBondContact O-N 3.22Å; M318-W321 HydrophobicContact SD-CH2 4.46Å; M318-W321 HydrophobicContact SD-CZ2 4.17Å | ||
| 319 | S | 91.4 | Very high | 96.8 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 76% | 0.762 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.5 | -174.5 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | N317 W321 | N317-S319 VanDerWaalsContact C-N 3.29Å; N317-S319 PolarHBondContact O-N 3.43Å; S319-W321 VanDerWaalsContact C-N 3.31Å |
| 320 | S | 95 | Very high | 96.4 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 64% | 0.643 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14 | 173.6 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | M318 E322 | M318-S320 PolarHBondContact O-N 3.07Å; M318-S320 VanDerWaalsContact O-N 3.1Å; S320-E322 PolarHBondContact O-N 3.4Å |
| 321 | W | 97.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 39 Ų | 39 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | trans | -85.7 | 110.7 | 179.6 | -66.3 | 8.1 | 0 | 0 | 0 | 109.8 | V235 Y261 Y263 S286 M318 S319 W323 | V235-W321 HydrophobicContact CG1-CZ3 4.14Å; V235-W321 HydrophobicContact CG2-CE3 4.15Å; V235-W321 HydrophobicContact CG2-CZ3 4.47Å; Y261-W321 VanDerWaalsContact CB-CZ3 3.45Å; Y261-W321 HydrophobicContact CD1-CB 3.88Å; Y261-W321 AromaticContact CD1-CD1 3.51Å; Y261-W321 AromaticContact CD1-CD2 3.42Å; Y261-W321 HydrophobicContact CD1-CD2 3.42Å; Y261-W321 VanDerWaalsContact CD1-CD2 3.42Å; Y261-W321 AromaticContact CD1-CE2 3.65Å; Y261-W321 HydrophobicContact CD1-CE3 4.07Å; Y261-W321 AromaticContact CD1-CG 3.33Å; Y261-W321 HydrophobicContact CD1-CG 3.33Å; Y261-W321 HydrophobicContact CD1-CZ2 4.4Å; Y261-W321 AromaticContact CD1-NE1 3.68Å; Y261-W321 HydrophobicContact CD2-CB 4.11Å; Y261-W321 HydrophobicContact CD2-CD2 4.37Å; Y261-W321 HydrophobicContact CD2-CE3 4.36Å; Y261-W321 HydrophobicContact CD2-CG 4.32Å; Y261-W321 HydrophobicContact CE1-CB 3.77Å; Y261-W321 AromaticContact CE1-CD1 3.6Å; Y261-W321 HydrophobicContact CE1-CD2 4.18Å; Y261-W321 AromaticContact CE1-CG 3.57Å; Y261-W321 HydrophobicContact CE1-CG 3.57Å; Y261-W321 HydrophobicContact CE2-CB 4.01Å; Y261-W321 HydrophobicContact CG-CB 4.04Å; Y261-W321 AromaticContact CG-CD2 3.54Å; Y261-W321 HydrophobicContact CG-CD2 3.54Å; Y261-W321 AromaticContact CG-CE3 3.68Å; Y261-W321 HydrophobicContact CG-CE3 3.68Å; Y261-W321 AromaticContact CG-CG 3.74Å; Y261-W321 HydrophobicContact CG-CG 3.74Å; Y261-W321 HydrophobicContact CG-CZ3 4.29Å; Y263-W321 HydrophobicContact CD2-CH2 4.49Å; Y263-W321 HydrophobicContact CD2-CZ3 4.38Å; S286-W321 PolarHBondContact O-NE1 3.06Å; M318-W321 HydrophobicContact CB-CB 4.13Å; M318-W321 HydrophobicContact CB-CD2 3.64Å; M318-W321 HydrophobicContact CB-CE3 3.77Å; M318-W321 HydrophobicContact CB-CG 3.8Å; M318-W321 HydrophobicContact CB-CZ3 4.46Å; M318-W321 HydrophobicContact CG-CD2 4.05Å; M318-W321 HydrophobicContact CG-CE3 3.93Å; M318-W321 HydrophobicContact CG-CH2 4.42Å; M318-W321 HydrophobicContact CG-CZ3 4.11Å; M318-W321 VanDerWaalsContact O-CB 3.31Å; M318-W321 WeakPolarHBondContact O-CB 3.44Å; M318-W321 PolarHBondContact O-N 3.22Å; M318-W321 HydrophobicContact SD-CH2 4.46Å; M318-W321 HydrophobicContact SD-CZ2 4.17Å; S319-W321 VanDerWaalsContact C-N 3.31Å; W321-W323 VanDerWaalsContact O-CD1 3.22Å; W321-W323 PolarHBondContact O-N 3.18Å | ||
| 322 | E | 95.8 | Very high | 95 | Very high | 123 Ų | 123 | 40.5 Ų | 40.5 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | trans | -92.1 | 99.6 | 171.6 | -58 | -179.1 | 145.9 | 0 | 0 | 109.4 | R233 Y261 S320 | R233-E322 WeakPolarHBondContact CD-O 3.25Å; R233-E322 IonicContact CZ-OE2 3.53Å; R233-E322 PolarHBondContact NE-O 2.93Å; R233-E322 IonicContact NH1-OE2 3.75Å; R233-E322 PolarHBondContact NH1-OE2 3.08Å; R233-E322 PolarHBondContact NH2-O 3.01Å; R233-E322 IonicContact NH2-OE2 2.81Å; R233-E322 PolarHBondContact NH2-OE2 3.06Å; Y261-E322 VanDerWaalsContact CE2-O 3.31Å; Y261-E322 WeakPolarHBondContact CE2-O 3.3Å; Y261-E322 PolarHBondContact OH-N 3.29Å; Y261-E322 PolarHBondContact OH-O 2.86Å; S320-E322 PolarHBondContact O-N 3.4Å | ||
| 323 | W | 97.2 | Very high | 94.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | trans | -124 | 158.6 | -174.9 | 57.7 | -90.3 | 0 | 0 | 0 | 112.4 | V235 Y261 I314 W321 V326 K407 V410 | V235-W323 HydrophobicContact CG2-CB 3.53Å; V235-W323 HydrophobicContact CG2-CD2 3.8Å; V235-W323 HydrophobicContact CG2-CE3 4.33Å; V235-W323 HydrophobicContact CG2-CG 3.4Å; V235-W323 VanDerWaalsContact CG2-CG 3.4Å; Y261-W323 HydrophobicContact CD2-CB 3.95Å; Y261-W323 HydrophobicContact CE2-CB 3.94Å; I314-W323 HydrophobicContact CG2-CZ2 3.78Å; W321-W323 VanDerWaalsContact O-CD1 3.22Å; W321-W323 PolarHBondContact O-N 3.18Å; W323-V326 HydrophobicContact CE3-CG2 4.07Å; W323-V326 HydrophobicContact CH2-CG2 3.9Å; W323-V326 HydrophobicContact CZ3-CG2 3.59Å; W323-K407 HydrophobicContact CD2-CG 4.5Å; W323-K407 HydrophobicContact CE3-CB 3.93Å; W323-K407 HydrophobicContact CE3-CG 4.22Å; W323-K407 HydrophobicContact CH2-CB 3.86Å; W323-K407 HydrophobicContact CH2-CG 3.63Å; W323-K407 HydrophobicContact CZ2-CG 3.93Å; W323-K407 HydrophobicContact CZ3-CB 3.5Å; W323-K407 VanDerWaalsContact CZ3-CB 3.5Å; W323-K407 HydrophobicContact CZ3-CG 3.79Å; W323-V410 HydrophobicContact CH2-CB 3.89Å; W323-V410 HydrophobicContact CH2-CG1 3.89Å; W323-V410 HydrophobicContact CH2-CG2 4.13Å; W323-V410 HydrophobicContact CZ3-CG2 4.4Å | ||
| 324 | D | 97.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -113.2 | -34.5 | -177.7 | -58.2 | -80.9 | 0 | 0 | 0 | 112.3 | V232 R233 R350 P406 K407 | V232-D324 VanDerWaalsContact CA-OD2 3.24Å; V232-D324 WeakPolarHBondContact CA-OD2 3.33Å; V232-D324 HydrophobicContact CB-CB 4.03Å; V232-D324 HydrophobicContact CG1-CB 4.06Å; R233-D324 PolarHBondContact N-OD2 3.31Å; R233-D324 PolarHBondContact O-N 2.94Å; D324-R350 VanDerWaalsContact CG-NH1 3.32Å; D324-R350 IonicContact OD1-CZ 2.69Å; D324-R350 IonicContact OD1-NH1 2.78Å; D324-R350 PolarHBondContact OD1-NH1 2.96Å; D324-R350 IonicContact OD1-NH2 3.46Å; D324-R350 IonicContact OD2-NH1 3.21Å; D324-R350 IonicContact OD2-NH2 3.43Å; D324-P406 CarbonylContact O-C 3.58Å; D324-P406 WeakPolarHBondContact O-CA 3.44Å; D324-K407 PolarHBondContact O-N 3.25Å |
| 325 | F | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.7 | -178.8 | -76.7 | -82.1 | 0 | 0 | 0 | 112.4 | V232 R233 I234 V235 L346 N349 R350 K352 F354 I404 L405 P406 | V232-F325 HydrophobicContact CB-CD2 4.29Å; V232-F325 HydrophobicContact CG1-CD2 4.18Å; V232-F325 HydrophobicContact CG1-CE2 4.02Å; R233-F325 PolarHBondContact O-N 3.49Å; I234-F325 CarbonylContact C-O 3.59Å; I234-F325 WeakPolarHBondContact CA-O 3.46Å; V235-F325 PolarHBondContact N-O 3.31Å; F325-L346 HydrophobicContact CD2-CB 4.11Å; F325-L346 HydrophobicContact CD2-CD1 4.3Å; F325-L346 HydrophobicContact CE1-CD2 4.36Å; F325-L346 HydrophobicContact CE2-CB 3.86Å; F325-L346 HydrophobicContact CE2-CD2 4.39Å; F325-L346 HydrophobicContact CG-CD1 4.41Å; F325-L346 HydrophobicContact CZ-CB 4.44Å; F325-L346 HydrophobicContact CZ-CD2 4.24Å; F325-N349 WeakPolarHBondContact CZ-O 3.29Å; F325-R350 WeakPolarHBondContact CZ-O 3.38Å; F325-K352 WeakPolarHBondContact CE1-O 3.35Å; F325-F354 HydrophobicContact CE1-CE2 4.3Å; F325-I404 HydrophobicContact CB-CG2 4.22Å; F325-I404 HydrophobicContact CD1-CG2 3.52Å; F325-I404 HydrophobicContact CE1-CG2 4.15Å; F325-I404 HydrophobicContact CG-CG2 4.12Å; F325-L405 CarbonylContact C-O 3.28Å; F325-L405 WeakPolarHBondContact CA-O 3.2Å; F325-P406 HydrophobicContact CD1-CB 4.04Å; F325-P406 HydrophobicContact CE1-CB 3.69Å; F325-P406 HydrophobicContact CE1-CG 4.41Å; F325-P406 HydrophobicContact CZ-CB 4.28Å |
| 326 | V | 98.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.7 | 159.8 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | V235 L237 L311 W323 I404 L405 V410 | V235-V326 HydrophobicContact CB-CG2 4.18Å; V235-V326 CarbonylContact O-C 3.58Å; V235-V326 WeakPolarHBondContact O-CA 3.39Å; L237-V326 HydrophobicContact CB-CG1 3.84Å; L237-V326 HydrophobicContact CD2-CG1 4.42Å; L311-V326 HydrophobicContact CD2-CB 4.2Å; L311-V326 HydrophobicContact CD2-CG1 3.93Å; L311-V326 HydrophobicContact CD2-CG2 3.91Å; W323-V326 HydrophobicContact CE3-CG2 4.07Å; W323-V326 HydrophobicContact CH2-CG2 3.9Å; W323-V326 HydrophobicContact CZ3-CG2 3.59Å; V326-I404 WeakPolarHBondContact O-CA 2.97Å; V326-L405 PolarHBondContact N-O 2.84Å; V326-L405 PolarHBondContact O-N 3.11Å; V326-V410 HydrophobicContact CG2-CG2 4.27Å |
| 327 | I | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.7 | 170.7 | -56.7 | -176.5 | 0 | 0 | 0 | 107.7 | I234 V235 Y236 L237 L329 L342 L346 I404 L505 | I234-I327 HydrophobicContact CD1-CD1 4.11Å; I234-I327 HydrophobicContact CG1-CD1 4.49Å; I234-I327 HydrophobicContact CG2-CB 4.2Å; I234-I327 HydrophobicContact CG2-CD1 3.69Å; I234-I327 HydrophobicContact CG2-CG1 3.72Å; V235-I327 PolarHBondContact O-N 3.48Å; Y236-I327 CarbonylContact C-O 3.45Å; Y236-I327 WeakPolarHBondContact CA-O 3.4Å; Y236-I327 HydrophobicContact CD1-CB 4.19Å; Y236-I327 HydrophobicContact CE1-CB 4.42Å; Y236-I327 HydrophobicContact CE1-CD1 4.22Å; L237-I327 PolarHBondContact N-O 3.14Å; I327-L329 HydrophobicContact CG2-CD2 4.02Å; I327-L329 HydrophobicContact CG2-CG 4.27Å; I327-L342 HydrophobicContact CD1-CD2 4.05Å; I327-L346 HydrophobicContact CD1-CD1 3.97Å; I327-I404 HydrophobicContact CD1-CD1 4.2Å; I327-I404 HydrophobicContact CD1-CG1 4.29Å; I327-I404 HydrophobicContact CD1-CG2 4.21Å; I327-I404 HydrophobicContact CG1-CB 4.24Å; I327-I404 HydrophobicContact CG1-CD1 4.39Å; I327-I404 HydrophobicContact CG1-CG1 3.93Å; I327-I404 HydrophobicContact CG1-CG2 3.7Å; I327-I404 HydrophobicContact CG2-CG1 4.21Å; I327-L505 HydrophobicContact CG2-CD1 4.26Å |
| 328 | N | 97.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.4 | 175.4 | 71.2 | -59.8 | 0 | 0 | 0 | 111.1 | L237 F307 D401 M403 R458 | L237-N328 CarbonylContact O-C 3.56Å; L237-N328 VanDerWaalsContact O-CA 3.26Å; L237-N328 WeakPolarHBondContact O-CA 3.31Å; F307-N328 HydrophobicContact CE1-CB 3.57Å; F307-N328 HydrophobicContact CZ-CB 3.98Å; N328-D401 PolarHBondContact ND2-O 3.04Å; N328-D401 PolarHBondContact OD1-O 2.94Å; N328-M403 PolarHBondContact OD1-N 3.23Å; N328-M403 PolarHBondContact OD1-O 3.37Å; N328-R458 PolarHBondContact O-NH2 3.44Å |
| 329 | L | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.1 | 174.6 | -56.9 | 173.2 | 0 | 0 | 0 | 109.8 | Y236 L237 L238 V239 I255 I327 D333 L505 | Y236-L329 HydrophobicContact CD1-CD1 3.47Å; Y236-L329 VanDerWaalsContact CD1-CD1 3.47Å; Y236-L329 HydrophobicContact CD1-CG 4.23Å; Y236-L329 HydrophobicContact CE1-CD1 3.99Å; Y236-L329 HydrophobicContact CG-CD1 4.36Å; L237-L329 PolarHBondContact O-N 2.77Å; L238-L329 CarbonylContact C-O 2.98Å; L238-L329 WeakPolarHBondContact CA-O 3.19Å; L238-L329 HydrophobicContact CD2-CB 3.77Å; L238-L329 HydrophobicContact CD2-CD1 3.97Å; L238-L329 HydrophobicContact CD2-CG 4.3Å; V239-L329 PolarHBondContact N-O 3.49Å; I255-L329 HydrophobicContact CD1-CD1 3.84Å; I327-L329 HydrophobicContact CG2-CD2 4.02Å; I327-L329 HydrophobicContact CG2-CG 4.27Å; L329-D333 HydrophobicContact CB-CB 4.22Å; L329-D333 HydrophobicContact CD2-CB 3.96Å; L329-L505 HydrophobicContact CD2-CD1 3.66Å; L329-L505 HydrophobicContact CD2-CD2 4.21Å |
| 330 | S | 90.7 | Very high | 90.1 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 178.1 | 171.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | V239 S332 D333 | V239-S330 WeakPolarHBondContact O-CA 3.24Å; S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 PolarHBondContact OG-N 3.18Å; S330-S332 VanDerWaalsContact OG-N 3.12Å; S330-D333 WeakPolarHBondContact CA-OD2 3.21Å; S330-D333 WeakPolarHBondContact CB-OD2 3.41Å; S330-D333 PolarHBondContact N-OD2 3.49Å; S330-D333 PolarHBondContact OG-OD2 3.33Å |
| 331 | E | 84.3 | Confident | 89.8 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.8 | 168 | 74.9 | -70.1 | 154.8 | 0 | 0 | 113.2 | N241 H247 I248 | N241-E331 VanDerWaalsContact CG-OE2 3.31Å; N241-E331 PolarHBondContact N-OE2 3.44Å; N241-E331 PolarHBondContact ND2-OE1 2.86Å; N241-E331 PolarHBondContact ND2-OE2 3.34Å; N241-E331 VanDerWaalsContact ND2-OE2 3.09Å; N241-E331 WeakPolarHBondContact O-CG 3.39Å; N241-E331 PolarHBondContact OD1-OE1 2.91Å; H247-E331 PolarHBondContact CD2-O 3.46Å; H247-E331 PolarHBondContact NE2-O 2.84Å; I248-E331 HydrophobicContact CD1-CB 3.74Å; I248-E331 HydrophobicContact CG1-CB 3.64Å |
| 332 | S | 82.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.7 | -173.4 | -65.3 | 0 | 0 | 0 | 0 | 113.4 | S330 I508 Y509 | S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 PolarHBondContact OG-N 3.18Å; S330-S332 VanDerWaalsContact OG-N 3.12Å; S332-I508 PolarHBondContact O-N 2.64Å; S332-Y509 PolarHBondContact O-N 3.03Å |
| 333 | D | 85.7 | Confident | 89.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 152 | -179.8 | -69.4 | -85.5 | 0 | 0 | 0 | 112.3 | M251 L329 S330 R458 E506 N507 | M251-D333 WeakPolarHBondContact CG-O 3.45Å; L329-D333 HydrophobicContact CB-CB 4.22Å; L329-D333 HydrophobicContact CD2-CB 3.96Å; S330-D333 WeakPolarHBondContact CA-OD2 3.21Å; S330-D333 WeakPolarHBondContact CB-OD2 3.41Å; S330-D333 PolarHBondContact N-OD2 3.49Å; S330-D333 PolarHBondContact OG-OD2 3.33Å; D333-R458 IonicContact OD1-NE 3.62Å; D333-R458 PolarHBondContact OD1-NE 2.84Å; D333-E506 CarbonylContact C-O 3.12Å; D333-E506 WeakPolarHBondContact CA-O 3.33Å; D333-N507 PolarHBondContact OD1-ND2 3.49Å; D333-N507 PolarHBondContact OD2-ND2 3.29Å |
| 334 | L | 82.6 | Confident | 89.1 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.2 | 173.4 | -163.8 | 75 | 0 | 0 | 0 | 111.4 | M251 L254 L505 E506 Y509 | M251-L334 HydrophobicContact CB-CD1 4.26Å; L254-L334 HydrophobicContact CD1-CD1 3.62Å; L254-L334 HydrophobicContact CD1-CG 4.37Å; L334-L505 CarbonylContact O-C 3.59Å; L334-L505 WeakPolarHBondContact O-CA 3.49Å; L334-E506 PolarHBondContact N-O 3.13Å; L334-E506 PolarHBondContact O-N 2.84Å; L334-Y509 HydrophobicContact CD2-CD2 3.98Å; L334-Y509 HydrophobicContact CD2-CE2 4.11Å |
| 335 | P | 85.4 | Confident | 88.8 | Confident | 22 Ų | 22 | 28 Ų | 28 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.1 | 168.8 | 28.9 | -34.8 | 0 | 0 | 0 | 111.2 | L254 I255 | L254-P335 HydrophobicContact CB-CG 3.75Å; L254-P335 HydrophobicContact CD1-CG 4.46Å; I255-P335 HydrophobicContact CG2-CB 4.3Å; I255-P335 HydrophobicContact CG2-CG 3.77Å |
| 336 | I | 77 | Confident | 88.6 | Confident | 53 Ų | 53 | 28 Ų | 28 | 27% | 0.272 | 15% | 0.149 | S | C | . | . | trans | -109.5 | -4.4 | 175.7 | 57.3 | 164.5 | 0 | 0 | 0 | 112.9 | F459 L498 Y504 E506 | I336-F459 HydrophobicContact CD1-CB 4.12Å; I336-L498 HydrophobicContact CD1-CD1 3.97Å; I336-Y504 VanDerWaalsContact CG1-C 3.43Å; I336-Y504 WeakPolarHBondContact CG1-O 3.3Å; I336-Y504 PolarHBondContact N-O 2.84Å; I336-E506 HydrophobicContact CG2-CB 3.59Å | ||
| 337 | R | 77.8 | Confident | 88.4 | Confident | 54 Ų | 54 | 27.9 Ų | 27.9 | 20% | 0.204 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -132.2 | 158.6 | 173.1 | -70.8 | -164 | 178.9 | 173.8 | 7.2 | 110.7 | N339 L498 D501 Y503 Y504 | R337-N339 PolarHBondContact O-N 3.42Å; R337-L498 PolarHBondContact NH2-O 3.16Å; R337-D501 PolarHBondContact NH1-O 3.27Å; R337-D501 PolarHBondContact NH2-O 3.4Å; R337-Y503 WeakPolarHBondContact CD-O 3.35Å; R337-Y503 PolarHBondContact NE-O 2.95Å; R337-Y504 HydrophobicContact CB-CD1 4.03Å; R337-Y504 PolarHBondContact N-O 3.49Å |
| 338 | P | 81.4 | Confident | 88.1 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 40% | 0.403 | 15% | 0.152 | S | C | . | . | trans | -56.7 | 135.1 | 175.4 | -23.8 | 34.2 | 0 | 0 | 0 | 112.1 | H340 E341 | P338-H340 WeakPolarHBondContact CB-CE1 3.48Å; P338-H340 WeakPolarHBondContact CB-ND1 3.47Å; P338-H340 PolarHBondContact O-N 3.38Å; P338-H340 VanDerWaalsContact O-N 3.11Å; P338-E341 HydrophobicContact CB-CG 4.42Å; P338-E341 WeakPolarHBondContact O-CB 3.42Å; P338-E341 PolarHBondContact O-N 2.86Å | ||
| 339 | N | 87.3 | Confident | 87.9 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -33.8 | -177.8 | -63.1 | -28.8 | 0 | 0 | 0 | 113.3 | L254 R337 E341 L342 V343 | L254-N339 PolarHBondContact O-ND2 2.87Å; R337-N339 PolarHBondContact O-N 3.42Å; N339-E341 VanDerWaalsContact C-N 3.25Å; N339-E341 PolarHBondContact O-N 3.39Å; N339-L342 WeakPolarHBondContact O-CB 3.14Å; N339-L342 PolarHBondContact O-N 3.1Å; N339-L342 VanDerWaalsContact O-N 3.16Å; N339-V343 WeakPolarHBondContact O-CG2 3.49Å; N339-V343 PolarHBondContact O-N 2.68Å |
| 340 | H | 87.5 | Confident | 87.8 | Confident | 124 Ų | 124 | 30.5 Ų | 30.5 | 57% | 0.574 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -62.8 | -32.5 | 179.1 | 71.1 | -94.6 | 0 | 0 | 0 | 112.1 | P338 V343 T344 | P338-H340 WeakPolarHBondContact CB-CE1 3.48Å; P338-H340 WeakPolarHBondContact CB-ND1 3.47Å; P338-H340 PolarHBondContact O-N 3.38Å; P338-H340 VanDerWaalsContact O-N 3.11Å; H340-V343 PolarHBondContact O-N 3.1Å; H340-T344 WeakPolarHBondContact O-CB 3.31Å; H340-T344 PolarHBondContact O-N 2.95Å; H340-T344 PolarHBondContact O-OG1 3.3Å |
| 341 | E | 88.5 | Confident | 87.8 | Confident | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.2 | -64.7 | -174.4 | -157.3 | 0 | 0 | 111.6 | L219 P338 N339 V343 T344 Y345 Y504 | L219-E341 HydrophobicContact CD1-CB 4.3Å; L219-E341 WeakPolarHBondContact CD2-O 3.11Å; P338-E341 HydrophobicContact CB-CG 4.42Å; P338-E341 WeakPolarHBondContact O-CB 3.42Å; P338-E341 PolarHBondContact O-N 2.86Å; N339-E341 VanDerWaalsContact C-N 3.25Å; N339-E341 PolarHBondContact O-N 3.39Å; E341-V343 VanDerWaalsContact C-N 3.34Å; E341-T344 PolarHBondContact O-N 2.87Å; E341-Y345 WeakPolarHBondContact O-CB 3.35Å; E341-Y345 PolarHBondContact O-N 3.05Å; E341-Y504 HydrophobicContact CB-CD1 4.48Å; E341-Y504 HydrophobicContact CB-CE1 3.91Å |
| 342 | L | 92 | Very high | 88.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.1 | 176.3 | 61.4 | 0 | 0 | 0 | 110.5 | I234 I327 N339 T344 Y345 L346 L457 Y504 | I234-L342 HydrophobicContact CD1-CD2 4.33Å; I234-L342 HydrophobicContact CD1-CG 4.43Å; I327-L342 HydrophobicContact CD1-CD2 4.05Å; N339-L342 WeakPolarHBondContact O-CB 3.14Å; N339-L342 PolarHBondContact O-N 3.1Å; N339-L342 VanDerWaalsContact O-N 3.16Å; L342-T344 PolarHBondContact O-N 3.16Å; L342-Y345 PolarHBondContact O-N 3.31Å; L342-L346 HydrophobicContact CD1-CD1 3.89Å; L342-L346 HydrophobicContact CD1-CG 4.01Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 WeakPolarHBondContact O-CB 3.43Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.21Å; L342-L457 HydrophobicContact CD1-CD1 4.03Å; L342-Y504 HydrophobicContact CB-CD1 3.83Å; L342-Y504 HydrophobicContact CB-CE1 4.41Å; L342-Y504 HydrophobicContact CB-CG 4.23Å; L342-Y504 HydrophobicContact CD1-CD1 4.28Å; L342-Y504 HydrophobicContact CD1-CD2 4.13Å; L342-Y504 HydrophobicContact CD1-CG 3.89Å |
| 343 | V | 93.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | P231 V232 I234 N339 H340 E341 S347 | P231-V343 HydrophobicContact CB-CG1 3.87Å; V232-V343 HydrophobicContact CG2-CB 4.36Å; V232-V343 HydrophobicContact CG2-CG1 3.91Å; V232-V343 WeakPolarHBondContact CG2-O 3.34Å; I234-V343 HydrophobicContact CD1-CG2 4.14Å; N339-V343 WeakPolarHBondContact O-CG2 3.49Å; N339-V343 PolarHBondContact O-N 2.68Å; H340-V343 PolarHBondContact O-N 3.1Å; E341-V343 VanDerWaalsContact C-N 3.34Å; V343-S347 VanDerWaalsContact O-CB 3.23Å; V343-S347 WeakPolarHBondContact O-CB 3.29Å; V343-S347 PolarHBondContact O-N 2.84Å; V343-S347 PolarHBondContact O-OG 3.36Å |
| 344 | T | 91 | Very high | 89.7 | Confident | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -48.3 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | L219 V227 H340 E341 L342 L346 S347 H348 | L219-T344 HydrophobicContact CD2-CG2 3.56Å; V227-T344 HydrophobicContact CG1-CG2 4.28Å; V227-T344 HydrophobicContact CG2-CG2 3.94Å; H340-T344 WeakPolarHBondContact O-CB 3.31Å; H340-T344 PolarHBondContact O-N 2.95Å; H340-T344 PolarHBondContact O-OG1 3.3Å; E341-T344 PolarHBondContact O-N 2.87Å; L342-T344 PolarHBondContact O-N 3.16Å; T344-L346 PolarHBondContact O-N 3.39Å; T344-S347 WeakPolarHBondContact O-CB 3.41Å; T344-S347 PolarHBondContact O-N 3.4Å; T344-H348 PolarHBondContact O-N 3.48Å |
| 345 | Y | 91.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | -178.4 | -176 | -94.7 | 0 | 0 | 0 | 112.7 | P216 L219 E341 L342 S347 H348 N349 F354 L457 N502 Y504 | P216-Y345 VanDerWaalsContact CB-OH 3.32Å; P216-Y345 WeakPolarHBondContact CB-OH 3.25Å; P216-Y345 WeakPolarHBondContact CG-OH 3.31Å; L219-Y345 HydrophobicContact CG-CD2 4.25Å; E341-Y345 WeakPolarHBondContact O-CB 3.35Å; E341-Y345 PolarHBondContact O-N 3.05Å; L342-Y345 PolarHBondContact O-N 3.31Å; Y345-S347 VanDerWaalsContact C-N 3.31Å; Y345-H348 PolarHBondContact O-N 3.23Å; Y345-N349 PolarHBondContact O-N 2.85Å; Y345-N349 PolarHBondContact O-ND2 3.25Å; Y345-F354 HydrophobicContact CD1-CZ 4.47Å; Y345-F354 AromaticContact CE1-CE1 3.64Å; Y345-F354 HydrophobicContact CE1-CE1 3.64Å; Y345-F354 AromaticContact CE1-CZ 3.85Å; Y345-F354 HydrophobicContact CE1-CZ 3.85Å; Y345-L457 HydrophobicContact CD1-CD1 3.78Å; Y345-L457 HydrophobicContact CD1-CD2 4.25Å; Y345-L457 HydrophobicContact CE1-CD1 3.71Å; Y345-L457 HydrophobicContact CE1-CD2 3.53Å; Y345-L457 HydrophobicContact CE1-CG 4.3Å; Y345-N502 HydrophobicContact CE2-CB 4.18Å; Y345-N502 WeakPolarHBondContact CE2-ND2 3.39Å; Y345-N502 PolarHBondContact OH-ND2 3.42Å; Y345-Y504 VanDerWaalsContact CB-OH 3.29Å; Y345-Y504 WeakPolarHBondContact CB-OH 3.44Å; Y345-Y504 HydrophobicContact CD1-CE2 4.12Å; Y345-Y504 HydrophobicContact CD2-CE2 4.36Å; Y345-Y504 VanDerWaalsContact CD2-OH 3.25Å; Y345-Y504 WeakPolarHBondContact CD2-OH 3.29Å; Y345-Y504 HydrophobicContact CG-CE2 4Å; Y345-Y504 AromaticContact CG-CZ 3.87Å |
| 346 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -31.7 | 175.7 | -69.4 | 178.8 | 0 | 0 | 0 | 111.8 | V232 I234 F325 I327 L342 T344 H348 N349 R350 F354 I404 L457 | V232-L346 HydrophobicContact CG2-CB 3.74Å; I234-L346 HydrophobicContact CD1-CD1 3.94Å; I234-L346 HydrophobicContact CG1-CD1 4.29Å; F325-L346 HydrophobicContact CD2-CB 4.11Å; F325-L346 HydrophobicContact CD2-CD1 4.3Å; F325-L346 HydrophobicContact CE1-CD2 4.36Å; F325-L346 HydrophobicContact CE2-CB 3.86Å; F325-L346 HydrophobicContact CE2-CD2 4.39Å; F325-L346 HydrophobicContact CG-CD1 4.41Å; F325-L346 HydrophobicContact CZ-CB 4.44Å; F325-L346 HydrophobicContact CZ-CD2 4.24Å; I327-L346 HydrophobicContact CD1-CD1 3.97Å; L342-L346 HydrophobicContact CD1-CD1 3.89Å; L342-L346 HydrophobicContact CD1-CG 4.01Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 WeakPolarHBondContact O-CB 3.43Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.21Å; T344-L346 PolarHBondContact O-N 3.39Å; L346-H348 VanDerWaalsContact C-N 3.32Å; L346-H348 PolarHBondContact O-N 3.23Å; L346-N349 CarbonylContact O-C 3.57Å; L346-N349 PolarHBondContact O-N 3.03Å; L346-R350 PolarHBondContact O-N 3.41Å; L346-R350 VanDerWaalsContact O-N 3.09Å; L346-F354 HydrophobicContact CD2-CD2 4.04Å; L346-F354 HydrophobicContact CD2-CE2 3.46Å; L346-F354 VanDerWaalsContact CD2-CE2 3.46Å; L346-F354 HydrophobicContact CD2-CZ 3.97Å; L346-I404 HydrophobicContact CD1-CG2 4.38Å; L346-I404 HydrophobicContact CD2-CG2 4.05Å; L346-L457 HydrophobicContact CD2-CD1 4.1Å |
| 347 | S | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | 173.6 | -60 | 0 | 0 | 0 | 0 | 112.5 | V232 V343 T344 Y345 N349 | V232-S347 PolarHBondContact N-OG 3.22Å; V343-S347 VanDerWaalsContact O-CB 3.23Å; V343-S347 WeakPolarHBondContact O-CB 3.29Å; V343-S347 PolarHBondContact O-N 2.84Å; V343-S347 PolarHBondContact O-OG 3.36Å; T344-S347 WeakPolarHBondContact O-CB 3.41Å; T344-S347 PolarHBondContact O-N 3.4Å; Y345-S347 VanDerWaalsContact C-N 3.31Å; S347-N349 PolarHBondContact O-N 3.44Å |
| 348 | H | 90.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.3 | -21.1 | 170.6 | -63.2 | 168.3 | 0 | 0 | 0 | 112.6 | L217 S218 S221 V227 T344 Y345 L346 | L217-H348 HydrophobicContact CB-CB 3.93Å; L217-H348 WeakPolarHBondContact CD1-O 3.37Å; S218-H348 PolarHBondContact O-ND1 3.41Å; S221-H348 PolarHBondContact OG-CE1 3.45Å; S221-H348 PolarHBondContact OG-ND1 3.07Å; S221-H348 VanDerWaalsContact OG-ND1 3.15Å; V227-H348 WeakPolarHBondContact CG2-NE2 3.39Å; T344-H348 PolarHBondContact O-N 3.48Å; Y345-H348 PolarHBondContact O-N 3.23Å; L346-H348 VanDerWaalsContact C-N 3.32Å; L346-H348 PolarHBondContact O-N 3.23Å |
| 349 | N | 93.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 38.7 | -169.9 | -64.1 | -80.2 | 0 | 0 | 0 | 112.7 | P216 L217 F325 Y345 L346 S347 D351 K352 F354 | P216-N349 WeakPolarHBondContact CA-OD1 3.47Å; L217-N349 PolarHBondContact N-OD1 3.49Å; L217-N349 PolarHBondContact O-ND2 2.82Å; F325-N349 WeakPolarHBondContact CZ-O 3.29Å; Y345-N349 PolarHBondContact O-N 2.85Å; Y345-N349 PolarHBondContact O-ND2 3.25Å; L346-N349 CarbonylContact O-C 3.57Å; L346-N349 PolarHBondContact O-N 3.03Å; S347-N349 PolarHBondContact O-N 3.44Å; N349-D351 VanDerWaalsContact C-N 3.33Å; N349-D351 PolarHBondContact O-N 3.39Å; N349-D351 VanDerWaalsContact O-N 3.15Å; N349-K352 HydrophobicContact CB-CB 4.17Å; N349-K352 HydrophobicContact CB-CG 3.97Å; N349-K352 VanDerWaalsContact O-CB 3.31Å; N349-K352 WeakPolarHBondContact O-CB 3.29Å; N349-K352 PolarHBondContact O-N 2.9Å; N349-F354 HydrophobicContact CB-CE2 4.46Å; N349-F354 HydrophobicContact CB-CZ 3.83Å |
| 350 | R | 92.7 | Very high | 91.2 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 18% | 0.181 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.8 | -168.8 | -82.2 | 169.6 | 162.4 | -76.6 | -8.1 | 116.5 | K230 P231 V232 D324 F325 L346 P406 | K230-R350 PolarHBondContact O-NH2 3.19Å; P231-R350 PolarHBondContact O-NH2 3.43Å; V232-R350 HydrophobicContact CG1-CG 3.75Å; V232-R350 VanDerWaalsContact CG1-CZ 3.49Å; D324-R350 VanDerWaalsContact CG-NH1 3.32Å; D324-R350 IonicContact OD1-CZ 2.69Å; D324-R350 IonicContact OD1-NH1 2.78Å; D324-R350 PolarHBondContact OD1-NH1 2.96Å; D324-R350 IonicContact OD1-NH2 3.46Å; D324-R350 IonicContact OD2-NH1 3.21Å; D324-R350 IonicContact OD2-NH2 3.43Å; F325-R350 WeakPolarHBondContact CZ-O 3.38Å; L346-R350 PolarHBondContact O-N 3.41Å; L346-R350 VanDerWaalsContact O-N 3.09Å; R350-P406 WeakPolarHBondContact O-CB 3.41Å |
| 351 | D | 90.6 | Very high | 90.5 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 58% | 0.578 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 16.4 | -175.9 | -54.2 | -45.4 | 0 | 0 | 0 | 112.9 | N349 S451 | N349-D351 VanDerWaalsContact C-N 3.33Å; N349-D351 PolarHBondContact O-N 3.39Å; N349-D351 VanDerWaalsContact O-N 3.15Å; D351-S451 WeakPolarHBondContact O-CB 3.47Å; D351-S451 PolarHBondContact O-OG 3.33Å |
| 352 | K | 97.3 | Very high | 90.1 | Very high | 55 Ų | 55 | 30.1 Ų | 30.1 | 24% | 0.239 | 15% | 0.148 | C | C | . | . | trans | -98.2 | 142.2 | -177.2 | -60.3 | -54.5 | -178.4 | -170 | 0 | 111.9 | P214 F325 N349 F354 P406 S451 I453 | P214-K352 HydrophobicContact CG-CD 4.34Å; F325-K352 WeakPolarHBondContact CE1-O 3.35Å; N349-K352 HydrophobicContact CB-CB 4.17Å; N349-K352 HydrophobicContact CB-CG 3.97Å; N349-K352 VanDerWaalsContact O-CB 3.31Å; N349-K352 WeakPolarHBondContact O-CB 3.29Å; N349-K352 PolarHBondContact O-N 2.9Å; K352-F354 HydrophobicContact CB-CE2 4.08Å; K352-F354 HydrophobicContact CB-CZ 4.17Å; K352-P406 WeakPolarHBondContact O-CD 3Å; K352-S451 WeakPolarHBondContact CA-O 3.34Å; K352-I453 HydrophobicContact CB-CG1 3.77Å; K352-I453 HydrophobicContact CD-CD1 4.34Å; K352-I453 HydrophobicContact CD-CG1 4.4Å; K352-I453 HydrophobicContact CG-CD1 4.34Å; K352-I453 HydrophobicContact CG-CG1 4.12Å | ||
| 353 | I | 98.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122 | 178 | -60.7 | 163.7 | 0 | 0 | 0 | 107.4 | L355 L405 P406 F409 A443 F448 S451 V452 I453 | I353-L355 HydrophobicContact CG2-CB 4.47Å; I353-L355 HydrophobicContact CG2-CD1 3.43Å; I353-L355 VanDerWaalsContact CG2-CD1 3.43Å; I353-L355 HydrophobicContact CG2-CG 3.6Å; I353-L405 HydrophobicContact CG2-CD2 3.97Å; I353-P406 HydrophobicContact CG1-CG 3.78Å; I353-F409 HydrophobicContact CD1-CB 3.93Å; I353-F409 HydrophobicContact CD1-CD1 4.21Å; I353-F409 HydrophobicContact CD1-CD2 3.52Å; I353-F409 HydrophobicContact CD1-CE2 4.02Å; I353-F409 HydrophobicContact CD1-CG 3.61Å; I353-F409 HydrophobicContact CG1-CB 4.08Å; I353-F409 HydrophobicContact CG1-CD1 4.42Å; I353-F409 HydrophobicContact CG1-CD2 4.46Å; I353-F409 HydrophobicContact CG1-CG 4.07Å; I353-A443 HydrophobicContact CD1-CB 4.04Å; I353-F448 HydrophobicContact CD1-CB 3.65Å; I353-F448 HydrophobicContact CD1-CD1 3.95Å; I353-F448 HydrophobicContact CD1-CG 3.96Å; I353-S451 PolarHBondContact N-O 2.92Å; I353-V452 CarbonylContact O-C 3.52Å; I353-V452 WeakPolarHBondContact O-CA 2.89Å; I353-I453 PolarHBondContact O-N 2.87Å |
| 354 | F | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.5 | -178.2 | -62.3 | -92 | 0 | 0 | 0 | 109.7 | F325 Y345 L346 N349 K352 I404 I453 H455 L457 | F325-F354 HydrophobicContact CE1-CE2 4.3Å; Y345-F354 HydrophobicContact CD1-CZ 4.47Å; Y345-F354 AromaticContact CE1-CE1 3.64Å; Y345-F354 HydrophobicContact CE1-CE1 3.64Å; Y345-F354 AromaticContact CE1-CZ 3.85Å; Y345-F354 HydrophobicContact CE1-CZ 3.85Å; L346-F354 HydrophobicContact CD2-CD2 4.04Å; L346-F354 HydrophobicContact CD2-CE2 3.46Å; L346-F354 VanDerWaalsContact CD2-CE2 3.46Å; L346-F354 HydrophobicContact CD2-CZ 3.97Å; N349-F354 HydrophobicContact CB-CE2 4.46Å; N349-F354 HydrophobicContact CB-CZ 3.83Å; K352-F354 HydrophobicContact CB-CE2 4.08Å; K352-F354 HydrophobicContact CB-CZ 4.17Å; F354-I404 HydrophobicContact CB-CB 3.9Å; F354-I404 HydrophobicContact CB-CD1 4.35Å; F354-I404 HydrophobicContact CB-CG1 4.3Å; F354-I404 HydrophobicContact CD2-CB 3.95Å; F354-I404 HydrophobicContact CD2-CG2 4.08Å; F354-I404 HydrophobicContact CG-CB 4.29Å; F354-I404 PolarHBondContact N-O 3.32Å; F354-I404 PolarHBondContact O-N 3.1Å; F354-I453 HydrophobicContact CD1-CB 3.79Å; F354-I453 HydrophobicContact CD1-CG1 4.26Å; F354-I453 HydrophobicContact CD1-CG2 3.79Å; F354-I453 HydrophobicContact CE1-CB 3.98Å; F354-I453 HydrophobicContact CE1-CG1 3.98Å; F354-I453 HydrophobicContact CE1-CG2 3.89Å; F354-I453 HydrophobicContact CG-CB 4.48Å; F354-I453 HydrophobicContact CZ-CG1 4.44Å; F354-H455 CarbonylContact C-O 3.59Å; F354-H455 WeakPolarHBondContact CA-O 3.4Å; F354-H455 WeakPolarHBondContact CB-O 3.45Å; F354-L457 HydrophobicContact CD1-CD1 4.16Å; F354-L457 HydrophobicContact CD1-CD2 4.23Å; F354-L457 HydrophobicContact CD1-CG 4.03Å; F354-L457 HydrophobicContact CE1-CD1 4.24Å; F354-L457 HydrophobicContact CE1-CD2 4.34Å; F354-L457 HydrophobicContact CE1-CG 4.43Å; F354-L457 HydrophobicContact CG-CD1 4.44Å; F354-L457 HydrophobicContact CG-CG 4.49Å |
| 355 | L | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -142 | 114.1 | -175.6 | -72 | 178.2 | 0 | 0 | 0 | 107.8 | I353 S357 M403 L405 F439 A443 V452 I453 N454 H455 | I353-L355 HydrophobicContact CG2-CB 4.47Å; I353-L355 HydrophobicContact CG2-CD1 3.43Å; I353-L355 VanDerWaalsContact CG2-CD1 3.43Å; I353-L355 HydrophobicContact CG2-CG 3.6Å; L355-S357 PolarHBondContact O-N 2.88Å; L355-M403 HydrophobicContact CD2-CB 3.82Å; L355-M403 HydrophobicContact CD2-CG 3.55Å; L355-M403 HydrophobicContact CD2-SD 4.42Å; L355-L405 HydrophobicContact CD2-CD2 4.26Å; L355-F439 HydrophobicContact CD1-CB 4.27Å; L355-A443 HydrophobicContact CD1-CB 4.21Å; L355-V452 HydrophobicContact CB-CG1 4.15Å; L355-I453 PolarHBondContact N-O 3.09Å; L355-I453 VanDerWaalsContact N-O 3.11Å; L355-N454 WeakPolarHBondContact O-CA 3.45Å; L355-H455 PolarHBondContact N-O 2.57Å | ||
| 356 | R | 93.3 | Very high | 88.4 | Confident | 83 Ų | 83 | 30.1 Ų | 30.1 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | trans | -82.5 | 114.5 | -179.9 | -179.3 | 73.5 | -176.8 | 170.4 | -2.5 | 109.6 | F358 G399 H440 N454 Y456 | R356-F358 HydrophobicContact CG-CD1 4.26Å; R356-F358 HydrophobicContact CG-CE1 3.75Å; R356-G399 WeakPolarHBondContact O-CA 3.46Å; R356-H440 PolarHBondContact O-NE2 3.37Å; R356-N454 WeakPolarHBondContact CA-OD1 3.32Å; R356-N454 VanDerWaalsContact CD-O 3.28Å; R356-N454 WeakPolarHBondContact CD-O 3.44Å; R356-N454 WeakPolarHBondContact CD-OD1 3.42Å; R356-N454 PolarHBondContact NH1-O 3.37Å; R356-Y456 HydrophobicContact CB-CD1 3.1Å; R356-Y456 HydrophobicContact CB-CE1 3.38Å; R356-Y456 HydrophobicContact CB-CG 3.89Å; R356-Y456 HydrophobicContact CG-CD1 3.88Å; R356-Y456 HydrophobicContact CG-CE1 3.59Å | ||
| 357 | S | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 132.9 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | L355 S359 H360 D397 N454 | L355-S357 PolarHBondContact O-N 2.88Å; S357-S359 WeakPolarHBondContact OG-CB 3.37Å; S357-S359 PolarHBondContact OG-N 3.34Å; S357-S359 VanDerWaalsContact OG-N 3.16Å; S357-S359 PolarHBondContact OG-OG 3.08Å; S357-H360 PolarHBondContact O-ND1 2.85Å; S357-H360 VanDerWaalsContact O-ND1 3.12Å; S357-D397 VanDerWaalsContact CB-OD1 3.23Å; S357-D397 WeakPolarHBondContact CB-OD1 3.07Å; S357-D397 PolarHBondContact OG-OD1 3.32Å; S357-N454 PolarHBondContact N-OD1 3.44Å |
| 358 | F | 86.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | trans | -101 | 3.9 | 168.5 | -63 | -16.5 | 0 | 0 | 0 | 113.1 | R356 H360 T361 F365 G398 G399 | R356-F358 HydrophobicContact CG-CD1 4.26Å; R356-F358 HydrophobicContact CG-CE1 3.75Å; F358-H360 PolarHBondContact O-N 3.07Å; F358-H360 VanDerWaalsContact O-N 3.11Å; F358-T361 PolarHBondContact O-N 2.91Å; F358-T361 PolarHBondContact O-OG1 2.93Å; F358-F365 HydrophobicContact CB-CD2 4.23Å; F358-G398 PolarHBondContact N-O 2.98Å; F358-G399 VanDerWaalsContact CD2-CA 3.48Å | ||
| 359 | S | 78.5 | Confident | 87.2 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58 | -24.7 | 178 | 68 | 0 | 0 | 0 | 0 | 113.7 | S357 T361 G362 | S357-S359 WeakPolarHBondContact OG-CB 3.37Å; S357-S359 PolarHBondContact OG-N 3.34Å; S357-S359 VanDerWaalsContact OG-N 3.16Å; S357-S359 PolarHBondContact OG-OG 3.08Å; S359-T361 PolarHBondContact O-N 3.47Å; S359-G362 WeakPolarHBondContact O-CA 3Å; S359-G362 PolarHBondContact O-N 3.04Å |
| 360 | H | 75.5 | Confident | 87 | Confident | 127 Ų | 127 | 41.6 Ų | 41.6 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -59.1 | -17.1 | 174 | 69 | -85.7 | 0 | 0 | 0 | 113.8 | S357 F358 G362 | S357-H360 PolarHBondContact O-ND1 2.85Å; S357-H360 VanDerWaalsContact O-ND1 3.12Å; F358-H360 PolarHBondContact O-N 3.07Å; F358-H360 VanDerWaalsContact O-N 3.11Å; H360-G362 PolarHBondContact O-N 3.44Å |
| 361 | T | 73.8 | Confident | 86.9 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 26% | 0.258 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -78.3 | -0.5 | 171.6 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | F358 S359 S364 F365 | F358-T361 PolarHBondContact O-N 2.91Å; F358-T361 PolarHBondContact O-OG1 2.93Å; S359-T361 PolarHBondContact O-N 3.47Å; T361-S364 PolarHBondContact O-OG 3.24Å; T361-F365 VanDerWaalsContact OG1-CB 3.22Å; T361-F365 WeakPolarHBondContact OG1-CB 3.44Å; T361-F365 PolarHBondContact OG1-N 2.72Å |
| 362 | G | 80.6 | Confident | 86.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -135.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S359 H360 S364 F365 | S359-G362 WeakPolarHBondContact O-CA 3Å; S359-G362 PolarHBondContact O-N 3.04Å; H360-G362 PolarHBondContact O-N 3.44Å; G362-S364 PolarHBondContact O-N 3.35Å; G362-F365 VanDerWaalsContact O-CB 3.31Å; G362-F365 WeakPolarHBondContact O-CB 2.97Å; G362-F365 PolarHBondContact O-N 3.33Å |
| 363 | Q | 79.5 | Confident | 86.4 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -25.5 | -176.3 | -53.5 | 90.2 | -29.8 | 0 | 0 | 112.7 | I141 L145 C160 F365 L366 R367 | I141-Q363 HydrophobicContact CG2-CB 4.37Å; I141-Q363 HydrophobicContact CG2-CG 3.6Å; L145-Q363 HydrophobicContact CD1-CG 4.04Å; C160-Q363 PolarHBondContact SG-NE2 3.31Å; Q363-F365 PolarHBondContact O-N 2.74Å; Q363-L366 PolarHBondContact O-N 3.3Å; Q363-R367 PolarHBondContact O-N 2.91Å |
| 364 | S | 81.4 | Confident | 86.1 | Confident | 33 Ų | 33 | 35.1 Ų | 35.1 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -30.3 | 173.7 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | T361 G362 N368 | T361-S364 PolarHBondContact O-OG 3.24Å; G362-S364 PolarHBondContact O-N 3.35Å; S364-N368 WeakPolarHBondContact O-CB 3.48Å; S364-N368 PolarHBondContact O-N 2.96Å; S364-N368 PolarHBondContact O-ND2 3.28Å; S364-N368 PolarHBondContact O-OD1 3.33Å |
| 365 | F | 85.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 172.2 | 155.6 | -101.5 | 0 | 0 | 0 | 111.4 | L145 F358 T361 G362 Q363 R367 N368 Q369 F371 G398 | L145-F365 HydrophobicContact CD2-CD1 3.88Å; L145-F365 HydrophobicContact CD2-CE1 4.47Å; F358-F365 HydrophobicContact CB-CD2 4.23Å; T361-F365 VanDerWaalsContact OG1-CB 3.22Å; T361-F365 WeakPolarHBondContact OG1-CB 3.44Å; T361-F365 PolarHBondContact OG1-N 2.72Å; G362-F365 VanDerWaalsContact O-CB 3.31Å; G362-F365 WeakPolarHBondContact O-CB 2.97Å; G362-F365 PolarHBondContact O-N 3.33Å; Q363-F365 PolarHBondContact O-N 2.74Å; F365-R367 VanDerWaalsContact C-N 3.31Å; F365-R367 PolarHBondContact O-N 2.83Å; F365-N368 PolarHBondContact O-N 2.8Å; F365-Q369 HydrophobicContact CD2-CG 3.74Å; F365-Q369 HydrophobicContact CE2-CG 3.52Å; F365-Q369 HydrophobicContact CZ-CG 4.25Å; F365-Q369 WeakPolarHBondContact O-CB 3.49Å; F365-Q369 WeakPolarHBondContact O-CG 3.4Å; F365-Q369 PolarHBondContact O-N 3.49Å; F365-F371 HydrophobicContact CE1-CD2 4.45Å; F365-F371 AromaticContact CE1-CE2 3.7Å; F365-F371 HydrophobicContact CE1-CE2 3.7Å; F365-F371 HydrophobicContact CE2-CE2 4.34Å; F365-F371 AromaticContact CZ-CE2 3.56Å; F365-F371 HydrophobicContact CZ-CE2 3.56Å; F365-F371 HydrophobicContact CZ-CZ 4.19Å; F365-G398 VanDerWaalsContact CZ-N 3.31Å |
| 366 | L | 85.7 | Confident | 85.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | -178.8 | -58.8 | -177.9 | 0 | 0 | 0 | 112.3 | I141 L145 Q363 G370 F371 I390 L396 | I141-L366 HydrophobicContact CG2-CD1 3.98Å; L145-L366 HydrophobicContact CD1-CD1 4.03Å; L145-L366 HydrophobicContact CD1-CG 4.33Å; L145-L366 HydrophobicContact CD2-CD1 4.22Å; L145-L366 HydrophobicContact CD2-CD2 3.81Å; L145-L366 HydrophobicContact CD2-CG 3.81Å; L145-L366 HydrophobicContact CG-CD1 3.91Å; L145-L366 HydrophobicContact CG-CD2 4.29Å; L145-L366 HydrophobicContact CG-CG 4.08Å; Q363-L366 PolarHBondContact O-N 3.3Å; L366-G370 PolarHBondContact O-N 3.47Å; L366-G370 VanDerWaalsContact O-N 3.11Å; L366-F371 HydrophobicContact CB-CD2 4.36Å; L366-F371 HydrophobicContact CD2-CD2 3.62Å; L366-F371 HydrophobicContact CD2-CE2 4.14Å; L366-F371 PolarHBondContact O-N 3.31Å; L366-I390 HydrophobicContact CD1-CD1 3.82Å; L366-L396 HydrophobicContact CD2-CB 4.1Å; L366-L396 HydrophobicContact CD2-CD1 4.02Å |
| 367 | R | 82.4 | Confident | 85.9 | Confident | 135 Ų | 135 | 34.4 Ų | 34.4 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 177.3 | -68.3 | -176 | -179.4 | -138.6 | -2.3 | 111.9 | E131 Q363 F365 Q369 G370 | E131-R367 PolarHBondContact O-NH2 2.89Å; Q363-R367 PolarHBondContact O-N 2.91Å; F365-R367 VanDerWaalsContact C-N 3.31Å; F365-R367 PolarHBondContact O-N 2.83Å; R367-Q369 VanDerWaalsContact C-N 3.31Å; R367-Q369 PolarHBondContact O-N 3.13Å; R367-G370 PolarHBondContact O-N 3.4Å |
| 368 | N | 83.1 | Confident | 86 | Confident | 114 Ų | 114 | 35.3 Ų | 35.3 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -67.9 | -31.5 | -178.8 | -69.6 | -12.5 | 0 | 0 | 0 | 112.6 | S364 F365 G370 | S364-N368 WeakPolarHBondContact O-CB 3.48Å; S364-N368 PolarHBondContact O-N 2.96Å; S364-N368 PolarHBondContact O-ND2 3.28Å; S364-N368 PolarHBondContact O-OD1 3.33Å; F365-N368 PolarHBondContact O-N 2.8Å; N368-G370 VanDerWaalsContact C-N 3.31Å |
| 369 | Q | 87.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6.3 | 173.2 | -68.1 | -72 | -47.2 | 0 | 0 | 112.7 | F365 R367 F371 E436 S437 | F365-Q369 HydrophobicContact CD2-CG 3.74Å; F365-Q369 HydrophobicContact CE2-CG 3.52Å; F365-Q369 HydrophobicContact CZ-CG 4.25Å; F365-Q369 WeakPolarHBondContact O-CB 3.49Å; F365-Q369 WeakPolarHBondContact O-CG 3.4Å; F365-Q369 PolarHBondContact O-N 3.49Å; R367-Q369 VanDerWaalsContact C-N 3.31Å; R367-Q369 PolarHBondContact O-N 3.13Å; Q369-F371 HydrophobicContact CB-CD2 3.92Å; Q369-F371 HydrophobicContact CB-CE2 3.67Å; Q369-F371 HydrophobicContact CB-CG 4.49Å; Q369-F371 HydrophobicContact CB-CZ 4.08Å; Q369-F371 HydrophobicContact CG-CE2 4.21Å; Q369-F371 PolarHBondContact O-N 3.03Å; Q369-E436 PolarHBondContact NE2-OE2 3.47Å; Q369-E436 VanDerWaalsContact NE2-OE2 3.11Å; Q369-S437 PolarHBondContact OE1-OG 3.27Å |
| 370 | G | 89.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L366 R367 N368 D372 Q373 | L366-G370 PolarHBondContact O-N 3.47Å; L366-G370 VanDerWaalsContact O-N 3.11Å; R367-G370 PolarHBondContact O-N 3.4Å; N368-G370 VanDerWaalsContact C-N 3.31Å; G370-D372 VanDerWaalsContact C-N 3.28Å; G370-D372 PolarHBondContact O-N 3.34Å; G370-Q373 CarbonylContact O-C 3.59Å; G370-Q373 WeakPolarHBondContact O-CB 3.48Å; G370-Q373 PolarHBondContact O-N 3.47Å |
| 371 | F | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.5 | 178.7 | -71.2 | -54.8 | 0 | 0 | 0 | 113.2 | F365 L366 Q369 Q373 R388 L396 Y427 F428 S437 | F365-F371 HydrophobicContact CE1-CD2 4.45Å; F365-F371 AromaticContact CE1-CE2 3.7Å; F365-F371 HydrophobicContact CE1-CE2 3.7Å; F365-F371 HydrophobicContact CE2-CE2 4.34Å; F365-F371 AromaticContact CZ-CE2 3.56Å; F365-F371 HydrophobicContact CZ-CE2 3.56Å; F365-F371 HydrophobicContact CZ-CZ 4.19Å; L366-F371 HydrophobicContact CB-CD2 4.36Å; L366-F371 HydrophobicContact CD2-CD2 3.62Å; L366-F371 HydrophobicContact CD2-CE2 4.14Å; L366-F371 PolarHBondContact O-N 3.31Å; Q369-F371 HydrophobicContact CB-CD2 3.92Å; Q369-F371 HydrophobicContact CB-CE2 3.67Å; Q369-F371 HydrophobicContact CB-CG 4.49Å; Q369-F371 HydrophobicContact CB-CZ 4.08Å; Q369-F371 HydrophobicContact CG-CE2 4.21Å; Q369-F371 PolarHBondContact O-N 3.03Å; F371-Q373 PolarHBondContact O-N 3.05Å; F371-R388 WeakPolarHBondContact O-CG 3.48Å; F371-R388 PolarHBondContact O-NE 3.37Å; F371-L396 HydrophobicContact CB-CD1 4.09Å; F371-L396 HydrophobicContact CD1-CD1 4.33Å; F371-L396 HydrophobicContact CD2-CB 4.42Å; F371-L396 HydrophobicContact CD2-CD1 3.91Å; F371-L396 HydrophobicContact CE1-CD2 4.33Å; F371-L396 HydrophobicContact CE2-CB 4.14Å; F371-L396 HydrophobicContact CE2-CD1 4.39Å; F371-L396 HydrophobicContact CG-CD1 3.88Å; F371-L396 HydrophobicContact CZ-CB 4.45Å; F371-L396 HydrophobicContact CZ-CD2 4.48Å; F371-Y427 HydrophobicContact CD1-CE1 4.08Å; F371-Y427 WeakPolarHBondContact CD1-OH 3.09Å; F371-Y427 HydrophobicContact CE1-CE1 4.35Å; F371-Y427 PolarHBondContact O-OH 2.95Å; F371-F428 AromaticContact CE1-CE1 3.81Å; F371-F428 HydrophobicContact CE1-CE1 3.81Å; F371-F428 AromaticContact CE1-CZ 3.98Å; F371-F428 HydrophobicContact CE1-CZ 3.98Å; F371-S437 WeakPolarHBondContact CZ-OG 3.47Å |
| 372 | D | 87.2 | Confident | 88.6 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 3.4 | 171.4 | 66.4 | -45.4 | 0 | 0 | 0 | 113.1 | G370 E387 R388 I390 | G370-D372 VanDerWaalsContact C-N 3.28Å; G370-D372 PolarHBondContact O-N 3.34Å; D372-E387 WeakPolarHBondContact O-CA 3.26Å; D372-R388 CarbonylContact C-O 3.58Å; D372-R388 WeakPolarHBondContact CA-O 3.07Å; D372-R388 PolarHBondContact O-N 2.67Å; D372-I390 HydrophobicContact CB-CD1 4.23Å; D372-I390 HydrophobicContact CB-CG1 3.99Å |
| 373 | Q | 90.3 | Very high | 89.2 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.2 | -178.4 | -56.3 | -59.5 | -41 | 0 | 0 | 110.3 | G370 F371 F375 H384 G386 R388 | G370-Q373 CarbonylContact O-C 3.59Å; G370-Q373 WeakPolarHBondContact O-CB 3.48Å; G370-Q373 PolarHBondContact O-N 3.47Å; F371-Q373 PolarHBondContact O-N 3.05Å; Q373-F375 HydrophobicContact CB-CD2 4.1Å; Q373-F375 HydrophobicContact CB-CE2 3.44Å; Q373-F375 VanDerWaalsContact CB-CE2 3.44Å; Q373-F375 HydrophobicContact CB-CZ 4.14Å; Q373-F375 HydrophobicContact CG-CE2 4.42Å; Q373-H384 PolarHBondContact OE1-CE1 3.21Å; Q373-H384 PolarHBondContact OE1-NE2 2.78Å; Q373-G386 CarbonylContact C-O 3.24Å; Q373-G386 WeakPolarHBondContact CA-O 3.42Å; Q373-G386 PolarHBondContact OE1-O 3.47Å; Q373-R388 PolarHBondContact O-NE 2.91Å |
| 374 | L | 91.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.3 | -179.9 | -175.6 | 68.5 | 0 | 0 | 0 | 109.1 | V86 P90 H384 L385 G386 Y430 | V86-L374 HydrophobicContact CG1-CD1 4.4Å; V86-L374 HydrophobicContact CG1-CD2 4.07Å; V86-L374 HydrophobicContact CG1-CG 4.43Å; P90-L374 HydrophobicContact CB-CD2 4.28Å; L374-H384 PolarHBondContact O-CD2 3.09Å; L374-L385 HydrophobicContact CB-CB 4.47Å; L374-L385 HydrophobicContact CD2-CB 3.93Å; L374-L385 HydrophobicContact CG-CB 4.14Å; L374-L385 PolarHBondContact O-N 3.16Å; L374-G386 PolarHBondContact N-O 3.09Å; L374-Y430 HydrophobicContact CD1-CG 4.41Å |
| 375 | F | 94.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.1 | 177.2 | -69.1 | -88.4 | 0 | 0 | 0 | 110.9 | Q373 V382 W383 H384 Y430 L432 W478 | Q373-F375 HydrophobicContact CB-CD2 4.1Å; Q373-F375 HydrophobicContact CB-CE2 3.44Å; Q373-F375 VanDerWaalsContact CB-CE2 3.44Å; Q373-F375 HydrophobicContact CB-CZ 4.14Å; Q373-F375 HydrophobicContact CG-CE2 4.42Å; F375-V382 HydrophobicContact CB-CG1 4.08Å; F375-V382 HydrophobicContact CD1-CG1 4.1Å; F375-V382 HydrophobicContact CG-CG1 4.48Å; F375-W383 CarbonylContact C-O 3.5Å; F375-W383 VanDerWaalsContact CA-O 3.24Å; F375-W383 WeakPolarHBondContact CA-O 3.39Å; F375-H384 HydrophobicContact CD1-CB 4.1Å; F375-H384 HydrophobicContact CE1-CB 3.71Å; F375-H384 AromaticContact CE1-CD2 3.9Å; F375-H384 HydrophobicContact CZ-CB 4.48Å; F375-H384 AromaticContact CZ-CD2 3.88Å; F375-Y430 PolarHBondContact N-O 3.27Å; F375-Y430 VanDerWaalsContact N-O 3.12Å; F375-Y430 CarbonylContact O-C 2.93Å; F375-Y430 WeakPolarHBondContact O-CA 3.19Å; F375-Y430 WeakPolarHBondContact O-CB 3.34Å; F375-Y430 VanDerWaalsContact O-O 3.09Å; F375-L432 HydrophobicContact CB-CB 4.43Å; F375-L432 HydrophobicContact CD1-CB 4.48Å; F375-L432 HydrophobicContact CD2-CB 3.47Å; F375-L432 VanDerWaalsContact CD2-CB 3.47Å; F375-L432 HydrophobicContact CE2-CB 3.64Å; F375-L432 HydrophobicContact CE2-CD2 4.01Å; F375-L432 HydrophobicContact CE2-CG 4.36Å; F375-L432 HydrophobicContact CG-CB 3.89Å; F375-L432 HydrophobicContact CZ-CB 4.28Å; F375-L432 HydrophobicContact CZ-CD2 3.97Å; F375-W478 HydrophobicContact CE1-CB 3.92Å; F375-W478 HydrophobicContact CZ-CB 4.43Å |
| 376 | L | 93.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 130.4 | 176.2 | 176.1 | 74.6 | 0 | 0 | 0 | 110 | V82 F83 V86 W383 L385 Y430 | V82-L376 HydrophobicContact CB-CD2 4.28Å; V82-L376 HydrophobicContact CG1-CD1 4.49Å; V82-L376 HydrophobicContact CG1-CD2 3.47Å; V82-L376 VanDerWaalsContact CG1-CD2 3.47Å; F83-L376 HydrophobicContact CD1-CD2 3.81Å; F83-L376 HydrophobicContact CE1-CD2 3.98Å; V86-L376 HydrophobicContact CG2-CD2 4.44Å; L376-W383 PolarHBondContact N-O 2.86Å; L376-W383 PolarHBondContact O-N 3.43Å; L376-L385 HydrophobicContact CB-CD1 3.64Å; L376-L385 HydrophobicContact CB-CG 4.31Å; L376-L385 HydrophobicContact CD2-CD1 3.88Å; L376-L385 HydrophobicContact CG-CD1 4.42Å; L376-Y430 HydrophobicContact CD1-CD1 3.86Å; L376-Y430 HydrophobicContact CD1-CE1 3.98Å |
| 377 | E | 95 | Very high | 90.6 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.1 | 168.4 | -171 | 177.3 | 161.4 | 0 | 0 | 111.1 | G300 Q301 S302 Y381 | G300-E377 WeakPolarHBondContact CA-OE2 3.44Å; Q301-E377 PolarHBondContact N-OE2 3.5Å; S302-E377 WeakPolarHBondContact CB-OE1 3.49Å; S302-E377 WeakPolarHBondContact CB-OE2 3.28Å; S302-E377 PolarHBondContact N-OE2 3.05Å; S302-E377 PolarHBondContact OG-OE1 3.17Å; S302-E377 PolarHBondContact OG-OE2 3.01Å; E377-Y381 CarbonylContact C-O 3.55Å; E377-Y381 VanDerWaalsContact CA-O 3.3Å; E377-Y381 WeakPolarHBondContact CA-O 3.22Å |
| 378 | C | 94.7 | Very high | 90.8 | Very high | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.135 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 137.1 | 171.6 | -160.2 | 0 | 0 | 0 | 0 | 110.1 | C79 F83 S380 Y381 W383 | C79-C378 WeakPolarHBondContact CA-SG 3.49Å; C79-C378 HydrophobicContact CB-CB 3.97Å; C79-C378 WeakPolarHBondContact CB-SG 3.21Å; C79-C378 WeakPolarHBondContact SG-CB 3.14Å; C79-C378 CovalentContact SG-SG 2.03Å; C79-C378 PolarHBondContact SG-SG 3.16Å; F83-C378 HydrophobicContact CE1-CB 3.91Å; F83-C378 HydrophobicContact CZ-CB 4.31Å; C378-S380 VanDerWaalsContact C-N 3.32Å; C378-S380 PolarHBondContact O-N 2.82Å; C378-Y381 PolarHBondContact N-O 2.91Å; C378-Y381 PolarHBondContact O-N 3.26Å; C378-Y381 VanDerWaalsContact O-N 3.14Å; C378-Y381 VanDerWaalsContact O-O 3.1Å; C378-W383 PolarHBondContact O-NE1 2.9Å |
| 379 | D | 92.3 | Very high | 90.8 | Very high | 98 Ų | 98 | 31.1 Ų | 31.1 | 52% | 0.524 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 47.6 | -174.6 | -68.6 | -13.7 | 0 | 0 | 0 | 114.3 | S76 C79 Y381 | S76-D379 WeakPolarHBondContact CB-OD2 3.46Å; S76-D379 PolarHBondContact OG-OD2 3.45Å; C79-D379 PolarHBondContact SG-OD2 2.79Å; D379-Y381 PolarHBondContact O-N 2.71Å |
| 380 | S | 89.4 | Confident | 90.7 | Very high | 78 Ų | 78 | 31.2 Ų | 31.2 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 31.2 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | I297 C378 | I297-S380 WeakPolarHBondContact CD1-O 3.48Å; C378-S380 VanDerWaalsContact C-N 3.32Å; C378-S380 PolarHBondContact O-N 2.82Å |
| 381 | Y | 92.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 31 Ų | 31 | 30% | 0.302 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 143.3 | 175.2 | -173.1 | -86.2 | 0 | 0 | 0 | 110.1 | E377 C378 D379 W383 D477 | E377-Y381 CarbonylContact C-O 3.55Å; E377-Y381 VanDerWaalsContact CA-O 3.3Å; E377-Y381 WeakPolarHBondContact CA-O 3.22Å; C378-Y381 PolarHBondContact N-O 2.91Å; C378-Y381 PolarHBondContact O-N 3.26Å; C378-Y381 VanDerWaalsContact O-N 3.14Å; C378-Y381 VanDerWaalsContact O-O 3.1Å; D379-Y381 PolarHBondContact O-N 2.71Å; Y381-W383 AromaticContact CD1-CD1 3.79Å; Y381-W383 AromaticContact CD1-CD2 3.54Å; Y381-W383 HydrophobicContact CD1-CD2 3.54Å; Y381-W383 AromaticContact CD1-CE2 3.43Å; Y381-W383 VanDerWaalsContact CD1-CE2 3.43Å; Y381-W383 HydrophobicContact CD1-CE3 4.07Å; Y381-W383 AromaticContact CD1-CG 3.79Å; Y381-W383 HydrophobicContact CD1-CG 3.79Å; Y381-W383 HydrophobicContact CD1-CH2 4.41Å; Y381-W383 AromaticContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ3 4.48Å; Y381-W383 AromaticContact CD1-NE1 3.57Å; Y381-W383 AromaticContact CE1-CD2 3.91Å; Y381-W383 HydrophobicContact CE1-CD2 3.91Å; Y381-W383 AromaticContact CE1-CE3 3.99Å; Y381-W383 HydrophobicContact CE1-CE3 3.99Å; Y381-W383 HydrophobicContact CE1-CG 4.3Å; Y381-W383 HydrophobicContact CE1-CZ3 4.35Å; Y381-W383 HydrophobicContact CG-CZ2 4.35Å; Y381-W383 VanDerWaalsContact O-CD1 3.23Å; Y381-D477 HydrophobicContact CE1-CB 4.24Å; Y381-D477 VanDerWaalsContact CE1-OD2 3.22Å; Y381-D477 WeakPolarHBondContact CE1-OD2 3.22Å; Y381-D477 PolarHBondContact OH-OD2 2.9Å |
| 382 | V | 93.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 108.5 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | I297 F375 L432 | I297-V382 HydrophobicContact CG2-CG2 4.46Å; F375-V382 HydrophobicContact CB-CG1 4.08Å; F375-V382 HydrophobicContact CD1-CG1 4.1Å; F375-V382 HydrophobicContact CG-CG1 4.48Å; V382-L432 HydrophobicContact CG1-CD1 4.4Å |
| 383 | W | 93.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 8% | 0.076 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137 | -174.9 | -62.8 | 88.9 | 0 | 0 | 0 | 111.3 | A70 R73 F83 F375 L376 C378 Y381 L385 | A70-W383 HydrophobicContact CB-CE3 3.81Å; A70-W383 HydrophobicContact CB-CZ3 4.41Å; R73-W383 HydrophobicContact CB-CH2 4.17Å; R73-W383 HydrophobicContact CB-CZ3 3.87Å; F83-W383 HydrophobicContact CE1-CB 4.15Å; F83-W383 AromaticContact CE1-CD1 3.75Å; F83-W383 HydrophobicContact CE1-CD2 4.33Å; F83-W383 AromaticContact CE1-CG 3.8Å; F83-W383 HydrophobicContact CE1-CG 3.8Å; F83-W383 HydrophobicContact CE2-CD2 4.09Å; F83-W383 HydrophobicContact CE2-CE3 4.36Å; F83-W383 HydrophobicContact CE2-CG 4.38Å; F83-W383 HydrophobicContact CZ-CB 4.2Å; F83-W383 AromaticContact CZ-CD1 3.53Å; F83-W383 AromaticContact CZ-CD2 3.53Å; F83-W383 HydrophobicContact CZ-CD2 3.53Å; F83-W383 AromaticContact CZ-CE2 3.63Å; F83-W383 HydrophobicContact CZ-CE3 4.24Å; F83-W383 AromaticContact CZ-CG 3.48Å; F83-W383 HydrophobicContact CZ-CG 3.48Å; F83-W383 VanDerWaalsContact CZ-CG 3.48Å; F83-W383 HydrophobicContact CZ-CZ2 4.37Å; F83-W383 AromaticContact CZ-NE1 3.61Å; F375-W383 CarbonylContact C-O 3.5Å; F375-W383 VanDerWaalsContact CA-O 3.24Å; F375-W383 WeakPolarHBondContact CA-O 3.39Å; L376-W383 PolarHBondContact N-O 2.86Å; L376-W383 PolarHBondContact O-N 3.43Å; C378-W383 PolarHBondContact O-NE1 2.9Å; Y381-W383 AromaticContact CD1-CD1 3.79Å; Y381-W383 AromaticContact CD1-CD2 3.54Å; Y381-W383 HydrophobicContact CD1-CD2 3.54Å; Y381-W383 AromaticContact CD1-CE2 3.43Å; Y381-W383 VanDerWaalsContact CD1-CE2 3.43Å; Y381-W383 HydrophobicContact CD1-CE3 4.07Å; Y381-W383 AromaticContact CD1-CG 3.79Å; Y381-W383 HydrophobicContact CD1-CG 3.79Å; Y381-W383 HydrophobicContact CD1-CH2 4.41Å; Y381-W383 AromaticContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ3 4.48Å; Y381-W383 AromaticContact CD1-NE1 3.57Å; Y381-W383 AromaticContact CE1-CD2 3.91Å; Y381-W383 HydrophobicContact CE1-CD2 3.91Å; Y381-W383 AromaticContact CE1-CE3 3.99Å; Y381-W383 HydrophobicContact CE1-CE3 3.99Å; Y381-W383 HydrophobicContact CE1-CG 4.3Å; Y381-W383 HydrophobicContact CE1-CZ3 4.35Å; Y381-W383 HydrophobicContact CG-CZ2 4.35Å; Y381-W383 VanDerWaalsContact O-CD1 3.23Å; W383-L385 HydrophobicContact CB-CD2 4.19Å |
| 384 | H | 93.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 10% | 0.097 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.1 | 168.6 | -179.3 | -140.5 | 0 | 0 | 0 | 109.4 | Y66 Q373 L374 F375 G386 D477 | Y66-H384 AromaticContact CD1-CE1 3.36Å; Y66-H384 WeakPolarHBondContact CD1-CE1 3.22Å; Y66-H384 AromaticContact CD1-ND1 3.17Å; Y66-H384 WeakPolarHBondContact CD1-ND1 2.98Å; Y66-H384 AromaticContact CE1-CE1 3.3Å; Y66-H384 WeakPolarHBondContact CE1-CE1 3.23Å; Y66-H384 AromaticContact CE1-ND1 3.44Å; Y66-H384 WeakPolarHBondContact CE1-ND1 3.17Å; Y66-H384 AromaticContact CG-CE1 3.89Å; Y66-H384 AromaticContact CG-ND1 3.91Å; Y66-H384 AromaticContact CZ-CE1 3.76Å; Q373-H384 PolarHBondContact OE1-CE1 3.21Å; Q373-H384 PolarHBondContact OE1-NE2 2.78Å; L374-H384 PolarHBondContact O-CD2 3.09Å; F375-H384 HydrophobicContact CD1-CB 4.1Å; F375-H384 HydrophobicContact CE1-CB 3.71Å; F375-H384 AromaticContact CE1-CD2 3.9Å; F375-H384 HydrophobicContact CZ-CB 4.48Å; F375-H384 AromaticContact CZ-CD2 3.88Å; H384-G386 PolarHBondContact NE2-O 3.12Å; H384-G386 VanDerWaalsContact NE2-O 3.15Å; H384-D477 HydrophobicContact CB-CB 3.87Å; H384-D477 WeakPolarHBondContact CB-OD1 3.3Å; H384-D477 PolarHBondContact N-OD1 3.2Å; H384-D477 VanDerWaalsContact N-OD1 3.08Å |
| 385 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 7.4 | -177.1 | -60.4 | -174.3 | 0 | 0 | 0 | 113 | N64 V67 A70 F83 V86 L374 L376 W383 | N64-L385 PolarHBondContact ND2-O 3.32Å; N64-L385 PolarHBondContact OD1-O 3.06Å; V67-L385 HydrophobicContact CG2-CB 4.36Å; V67-L385 WeakPolarHBondContact CG2-O 3.47Å; A70-L385 HydrophobicContact CB-CD2 3.75Å; F83-L385 HydrophobicContact CB-CD2 4.17Å; F83-L385 HydrophobicContact CD1-CD1 4.18Å; F83-L385 HydrophobicContact CD1-CD2 3.84Å; F83-L385 HydrophobicContact CE1-CD2 4.4Å; F83-L385 HydrophobicContact CG-CD2 3.96Å; V86-L385 HydrophobicContact CB-CD1 4.15Å; V86-L385 HydrophobicContact CG1-CD1 3.93Å; L374-L385 HydrophobicContact CB-CB 4.47Å; L374-L385 HydrophobicContact CD2-CB 3.93Å; L374-L385 HydrophobicContact CG-CB 4.14Å; L374-L385 PolarHBondContact O-N 3.16Å; L376-L385 HydrophobicContact CB-CD1 3.64Å; L376-L385 HydrophobicContact CB-CG 4.31Å; L376-L385 HydrophobicContact CD2-CD1 3.88Å; L376-L385 HydrophobicContact CG-CD1 4.42Å; W383-L385 HydrophobicContact CB-CD2 4.19Å |
| 386 | G | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.7 | -158.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q373 L374 H384 | Q373-G386 CarbonylContact C-O 3.24Å; Q373-G386 WeakPolarHBondContact CA-O 3.42Å; Q373-G386 PolarHBondContact OE1-O 3.47Å; L374-G386 PolarHBondContact N-O 3.09Å; H384-G386 PolarHBondContact NE2-O 3.12Å; H384-G386 VanDerWaalsContact NE2-O 3.15Å |
| 387 | E | 86.3 | Confident | 90.5 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 45% | 0.449 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 149.1 | -174.1 | -62.4 | 176.2 | -163.2 | 0 | 0 | 111.3 | K133 D372 | K133-E387 WeakPolarHBondContact CE-OE2 3.46Å; K133-E387 IonicContact NZ-OE2 3.53Å; K133-E387 PolarHBondContact NZ-OE2 3.22Å; D372-E387 WeakPolarHBondContact O-CA 3.26Å |
| 388 | R | 86.3 | Confident | 90.5 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | trans | -135.4 | 162.7 | 167.6 | 67.6 | 178.1 | -179.7 | -174.8 | -10.3 | 110 | F371 D372 Q373 Y427 Y430 S431 | F371-R388 WeakPolarHBondContact O-CG 3.48Å; F371-R388 PolarHBondContact O-NE 3.37Å; D372-R388 CarbonylContact C-O 3.58Å; D372-R388 WeakPolarHBondContact CA-O 3.07Å; D372-R388 PolarHBondContact O-N 2.67Å; Q373-R388 PolarHBondContact O-NE 2.91Å; R388-Y427 VanDerWaalsContact CZ-CE2 3.44Å; R388-Y427 VanDerWaalsContact CZ-CZ 3.46Å; R388-Y427 VanDerWaalsContact NH1-CE2 3.32Å; R388-Y427 PolarHBondContact NH1-O 3.16Å; R388-Y427 VanDerWaalsContact NH2-CZ 3.32Å; R388-Y427 PolarHBondContact NH2-OH 2.95Å; R388-Y430 PolarHBondContact NH1-O 2.81Å; R388-S431 PolarHBondContact NH1-OG 2.89Å; R388-S431 PolarHBondContact NH2-OG 3.21Å | ||
| 389 | S | 82.6 | Confident | 90.3 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 38% | 0.378 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -71.9 | 143.3 | 171.4 | 31.1 | 0 | 0 | 0 | 0 | 110.2 | Q94 | Q94-S389 WeakPolarHBondContact CG-OG 3.15Š|
| 390 | I | 86 | Confident | 90.2 | Very high | 14 Ų | 14 | 20 Ų | 20 | 7% | 0.072 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 128.5 | 166.4 | -68 | 160 | 0 | 0 | 0 | 107.4 | I141 S144 L366 D372 L396 | I141-I390 HydrophobicContact CD1-CD1 4.34Å; I141-I390 HydrophobicContact CG1-CD1 3.5Å; I141-I390 VanDerWaalsContact CG1-CD1 3.5Å; S144-I390 WeakPolarHBondContact OG-CG2 3.43Å; L366-I390 HydrophobicContact CD1-CD1 3.82Å; D372-I390 HydrophobicContact CB-CD1 4.23Å; D372-I390 HydrophobicContact CB-CG1 3.99Å; I390-L396 HydrophobicContact CG2-CD1 3.76Å |
| 391 | P | 86.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 145.9 | -176.6 | 26.4 | -36.7 | 0 | 0 | 0 | 112.6 | Y93 F96 L396 Y427 | Y93-P391 WeakPolarHBondContact O-CB 3.38Å; F96-P391 HydrophobicContact CD2-CB 3.75Å; F96-P391 HydrophobicContact CE2-CB 3.35Å; F96-P391 HydrophobicContact CE2-CG 3.93Å; P391-L396 HydrophobicContact CG-CD1 4.02Å; P391-L396 HydrophobicContact CG-CD2 4.08Å; P391-L396 HydrophobicContact CG-CG 4.39Å; P391-Y427 HydrophobicContact CB-CE2 4.23Å; P391-Y427 VanDerWaalsContact CD-OH 3.28Å; P391-Y427 WeakPolarHBondContact CD-OH 3.36Å; P391-Y427 HydrophobicContact CG-CD2 4.38Å; P391-Y427 HydrophobicContact CG-CE1 4.38Å; P391-Y427 HydrophobicContact CG-CE2 3.66Å |
| 392 | S | 85.6 | Confident | 90.4 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 12% | 0.119 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -102.9 | 160.8 | 174.5 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | Q94 R95 F96 | Q94-S392 PolarHBondContact O-N 3.27Å; Q94-S392 PolarHBondContact O-OG 3.22Å; R95-S392 WeakPolarHBondContact CA-O 3.41Å; R95-S392 WeakPolarHBondContact CB-OG 3.38Å; R95-S392 WeakPolarHBondContact CG-OG 3.42Å; F96-S392 PolarHBondContact N-O 3.42Å |
| 393 | G | 88 | Confident | 90.5 | Very high | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 92 | -5.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | G98 S99 | G98-G393 WeakPolarHBondContact CA-O 2.71Å; S99-G393 PolarHBondContact N-O 3.09Å; S99-G393 VanDerWaalsContact N-O 3.11Å |
| 394 | I | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -135.2 | 160.7 | 175.5 | 57.4 | 166.3 | 0 | 0 | 0 | 110.9 | F96 L396 L420 T441 N445 | F96-I394 HydrophobicContact CB-CG2 3.71Å; F96-I394 HydrophobicContact CD1-CD1 4.31Å; F96-I394 HydrophobicContact CD1-CG2 4.32Å; F96-I394 HydrophobicContact CD2-CD1 3.56Å; F96-I394 HydrophobicContact CD2-CG1 3.63Å; F96-I394 HydrophobicContact CD2-CG2 4.28Å; F96-I394 HydrophobicContact CE1-CD1 4.16Å; F96-I394 HydrophobicContact CE2-CD1 3.41Å; F96-I394 VanDerWaalsContact CE2-CD1 3.41Å; F96-I394 HydrophobicContact CE2-CG1 3.97Å; F96-I394 HydrophobicContact CG-CD1 4.02Å; F96-I394 HydrophobicContact CG-CG1 4.09Å; F96-I394 HydrophobicContact CG-CG2 3.85Å; F96-I394 HydrophobicContact CZ-CD1 3.73Å; I394-L396 HydrophobicContact CD1-CD2 4.03Å; I394-L420 HydrophobicContact CG2-CD1 3.66Å; I394-T441 HydrophobicContact CD1-CG2 3.97Å; I394-N445 VanDerWaalsContact CA-OD1 3.23Å; I394-N445 WeakPolarHBondContact CA-OD1 3.08Å; I394-N445 VanDerWaalsContact CB-OD1 3.25Å; I394-N445 WeakPolarHBondContact CB-OD1 3.41Å; I394-N445 HydrophobicContact CG2-CB 4.28Å |
| 395 | I | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -89.5 | 122 | 167 | -56.9 | -48.5 | 0 | 0 | 0 | 109.3 | Q104 L107 R143 S144 A208 P211 N445 | Q104-I395 HydrophobicContact CB-CG1 4.4Å; Q104-I395 HydrophobicContact CG-CG1 4.18Å; L107-I395 HydrophobicContact CD1-CD1 3.93Å; L107-I395 HydrophobicContact CD1-CG1 4.09Å; L107-I395 HydrophobicContact CD2-CD1 4.12Å; R143-I395 WeakPolarHBondContact O-CD1 3.25Å; S144-I395 CarbonylContact O-C 3.49Å; S144-I395 VanDerWaalsContact O-CA 3.31Å; S144-I395 WeakPolarHBondContact O-CA 3.38Å; A208-I395 HydrophobicContact CB-CD1 4.26Å; P211-I395 HydrophobicContact CG-CG2 4.06Å; I395-N445 PolarHBondContact N-OD1 2.94Å; I395-N445 PolarHBondContact O-ND2 2.91Å | ||
| 396 | L | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -82.1 | 127.1 | 171.7 | -66.7 | 173.3 | 0 | 0 | 0 | 109.4 | S144 L366 F371 I390 P391 I394 Y427 T441 | S144-L396 PolarHBondContact O-N 3.45Å; L366-L396 HydrophobicContact CD2-CB 4.1Å; L366-L396 HydrophobicContact CD2-CD1 4.02Å; F371-L396 HydrophobicContact CB-CD1 4.09Å; F371-L396 HydrophobicContact CD1-CD1 4.33Å; F371-L396 HydrophobicContact CD2-CB 4.42Å; F371-L396 HydrophobicContact CD2-CD1 3.91Å; F371-L396 HydrophobicContact CE1-CD2 4.33Å; F371-L396 HydrophobicContact CE2-CB 4.14Å; F371-L396 HydrophobicContact CE2-CD1 4.39Å; F371-L396 HydrophobicContact CG-CD1 3.88Å; F371-L396 HydrophobicContact CZ-CB 4.45Å; F371-L396 HydrophobicContact CZ-CD2 4.48Å; I390-L396 HydrophobicContact CG2-CD1 3.76Å; P391-L396 HydrophobicContact CG-CD1 4.02Å; P391-L396 HydrophobicContact CG-CD2 4.08Å; P391-L396 HydrophobicContact CG-CG 4.39Å; I394-L396 HydrophobicContact CD1-CD2 4.03Å; L396-Y427 HydrophobicContact CD2-CE1 4.44Å; L396-T441 HydrophobicContact CD2-CG2 4.3Å | ||
| 397 | D | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -137.1 | 155.4 | 175.9 | -168.2 | 21.1 | 0 | 0 | 0 | 109.6 | S357 S437 H440 T441 Q444 | S357-D397 VanDerWaalsContact CB-OD1 3.23Å; S357-D397 WeakPolarHBondContact CB-OD1 3.07Å; S357-D397 PolarHBondContact OG-OD1 3.32Å; D397-S437 WeakPolarHBondContact O-CA 3.29Å; D397-S437 VanDerWaalsContact O-O 3.06Å; D397-H440 VanDerWaalsContact C-CB 3.44Å; D397-H440 HydrophobicContact CB-CB 3.97Å; D397-H440 WeakPolarHBondContact O-CB 3.47Å; D397-T441 PolarHBondContact N-OG1 2.67Å; D397-T441 PolarHBondContact O-OG1 2.73Å; D397-Q444 HydrophobicContact CB-CB 4.41Å; D397-Q444 HydrophobicContact CB-CG 3.6Å; D397-Q444 VanDerWaalsContact OD2-CG 3.26Å; D397-Q444 WeakPolarHBondContact OD2-CG 3.33Å; D397-Q444 PolarHBondContact OD2-NE2 3.05Å | ||
| 398 | G | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | 179.6 | 168.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F358 F365 E436 | F358-G398 PolarHBondContact N-O 2.98Å; F365-G398 VanDerWaalsContact CZ-N 3.31Å; G398-E436 CarbonylContact C-O 3.55Å; G398-E436 WeakPolarHBondContact CA-O 3.36Å | ||
| 399 | G | 91 | Very high | 92.6 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -171.7 | -106 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R356 F358 E436 | R356-G399 WeakPolarHBondContact O-CA 3.46Å; F358-G399 VanDerWaalsContact CD2-CA 3.48Å; G399-E436 PolarHBondContact N-O 3.31Å |
| 400 | S | 89.6 | Confident | 93.4 | Very high | 5 Ų | 5 | 13.1 Ų | 13.1 | 4% | 0.035 | 7% | 0.067 | C | C | . | . | trans | -111.2 | 161 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | W402 H440 Y456 | S400-W402 VanDerWaalsContact CB-CZ3 3.46Å; S400-W402 PolarHBondContact O-N 2.81Å; S400-W402 VanDerWaalsContact O-N 3.09Å; S400-H440 PolarHBondContact O-CE1 3.05Å; S400-Y456 WeakPolarHBondContact OG-CD1 3.06Å; S400-Y456 WeakPolarHBondContact OG-CE1 3.25Å | ||
| 401 | D | 92 | Very high | 93.9 | Very high | 31 Ų | 31 | 14.3 Ų | 14.3 | 17% | 0.166 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -75.8 | 13.6 | 171.2 | 62.8 | -4.5 | 0 | 0 | 0 | 113.8 | N328 M403 V435 E436 | N328-D401 PolarHBondContact ND2-O 3.04Å; N328-D401 PolarHBondContact OD1-O 2.94Å; D401-M403 WeakPolarHBondContact O-CE 3.42Å; D401-V435 HydrophobicContact CB-CB 4.18Å; D401-V435 HydrophobicContact CB-CG1 3.56Å; D401-E436 HydrophobicContact CB-CG 4.26Å |
| 402 | W | 93.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | trans | -86.9 | 106.7 | 174.9 | -71.3 | -43.8 | 0 | 0 | 0 | 112.3 | S400 Y456 I460 W462 P483 N507 | S400-W402 VanDerWaalsContact CB-CZ3 3.46Å; S400-W402 PolarHBondContact O-N 2.81Å; S400-W402 VanDerWaalsContact O-N 3.09Å; W402-Y456 HydrophobicContact CB-CD1 4.24Å; W402-Y456 HydrophobicContact CB-CG 4.16Å; W402-Y456 HydrophobicContact CE3-CD1 4.12Å; W402-Y456 AromaticContact CE3-CE1 3.94Å; W402-Y456 HydrophobicContact CE3-CE1 3.94Å; W402-Y456 HydrophobicContact CZ3-CE1 4.46Å; W402-Y456 WeakPolarHBondContact O-CB 3.23Å; W402-I460 HydrophobicContact CD2-CD1 3.99Å; W402-I460 HydrophobicContact CE3-CD1 3.82Å; W402-I460 HydrophobicContact CE3-CG1 4.02Å; W402-I460 HydrophobicContact CH2-CD1 3.81Å; W402-I460 HydrophobicContact CH2-CG1 4.18Å; W402-I460 HydrophobicContact CH2-CG2 3.9Å; W402-I460 HydrophobicContact CZ2-CD1 3.86Å; W402-I460 HydrophobicContact CZ3-CD1 3.77Å; W402-I460 HydrophobicContact CZ3-CG1 3.79Å; W402-I460 HydrophobicContact CZ3-CG2 4.13Å; W402-W462 HydrophobicContact CH2-CH2 4.25Å; W402-W462 AromaticContact CH2-CZ2 3.67Å; W402-W462 HydrophobicContact CH2-CZ2 3.67Å; W402-W462 AromaticContact CZ3-CZ2 3.74Å; W402-W462 HydrophobicContact CZ3-CZ2 3.74Å; W402-P483 HydrophobicContact CH2-CG 3.59Å; W402-P483 HydrophobicContact CZ2-CG 3.91Å; W402-N507 HydrophobicContact CZ2-CB 4.13Å; W402-N507 PolarHBondContact NE1-ND2 3.5Å; W402-N507 VanDerWaalsContact NE1-ND2 3.11Å | ||
| 403 | M | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.02 | 7% | 0.073 | C | C | . | . | trans | -130.1 | 144.3 | -167 | -50.1 | 174 | -79 | 0 | 0 | 112.2 | F307 N328 L355 D401 L405 V435 F439 | F307-M403 HydrophobicContact CD1-CE 4.05Å; F307-M403 HydrophobicContact CE1-CE 3.87Å; F307-M403 HydrophobicContact CG-CE 4.48Å; F307-M403 HydrophobicContact CZ-CE 4.13Å; N328-M403 PolarHBondContact OD1-N 3.23Å; N328-M403 PolarHBondContact OD1-O 3.37Å; L355-M403 HydrophobicContact CD2-CB 3.82Å; L355-M403 HydrophobicContact CD2-CG 3.55Å; L355-M403 HydrophobicContact CD2-SD 4.42Å; D401-M403 WeakPolarHBondContact O-CE 3.42Å; M403-L405 HydrophobicContact CB-CD2 4.02Å; M403-L405 HydrophobicContact CB-CG 4.07Å; M403-L405 HydrophobicContact SD-CD1 4.49Å; M403-V435 HydrophobicContact CE-CG1 3.82Å; M403-V435 HydrophobicContact SD-CG1 4.41Å; M403-F439 HydrophobicContact CE-CD2 4.02Å; M403-F439 HydrophobicContact CE-CE2 3.9Å; M403-F439 HydrophobicContact SD-CB 3.97Å; M403-F439 HydrophobicContact SD-CD1 4.49Å; M403-F439 HydrophobicContact SD-CD2 3.14Å; M403-F439 WeakPolarHBondContact SD-CD2 3.38Å; M403-F439 HydrophobicContact SD-CE2 3.65Å; M403-F439 HydrophobicContact SD-CG 3.62Å; M403-F439 HydrophobicContact SD-CZ 4.49Å | ||
| 404 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 112.3 | 162.4 | -49 | 172.8 | 0 | 0 | 0 | 107.7 | F325 V326 I327 L346 F354 L457 | F325-I404 HydrophobicContact CB-CG2 4.22Å; F325-I404 HydrophobicContact CD1-CG2 3.52Å; F325-I404 HydrophobicContact CE1-CG2 4.15Å; F325-I404 HydrophobicContact CG-CG2 4.12Å; V326-I404 WeakPolarHBondContact O-CA 2.97Å; I327-I404 HydrophobicContact CD1-CD1 4.2Å; I327-I404 HydrophobicContact CD1-CG1 4.29Å; I327-I404 HydrophobicContact CD1-CG2 4.21Å; I327-I404 HydrophobicContact CG1-CB 4.24Å; I327-I404 HydrophobicContact CG1-CD1 4.39Å; I327-I404 HydrophobicContact CG1-CG1 3.93Å; I327-I404 HydrophobicContact CG1-CG2 3.7Å; I327-I404 HydrophobicContact CG2-CG1 4.21Å; L346-I404 HydrophobicContact CD1-CG2 4.38Å; L346-I404 HydrophobicContact CD2-CG2 4.05Å; F354-I404 HydrophobicContact CB-CB 3.9Å; F354-I404 HydrophobicContact CB-CD1 4.35Å; F354-I404 HydrophobicContact CB-CG1 4.3Å; F354-I404 HydrophobicContact CD2-CB 3.95Å; F354-I404 HydrophobicContact CD2-CG2 4.08Å; F354-I404 HydrophobicContact CG-CB 4.29Å; F354-I404 PolarHBondContact N-O 3.32Å; F354-I404 PolarHBondContact O-N 3.1Å; I404-L457 HydrophobicContact CD1-CB 3.94Å; I404-L457 HydrophobicContact CD1-CD1 3.53Å; I404-L457 HydrophobicContact CD1-CG 3.93Å |
| 405 | L | 98.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | -168.3 | -55.2 | -176.4 | 0 | 0 | 0 | 109.4 | L311 F325 V326 I353 L355 M403 F409 V410 F439 | L311-L405 HydrophobicContact CD1-CD1 4.41Å; F325-L405 CarbonylContact C-O 3.28Å; F325-L405 WeakPolarHBondContact CA-O 3.2Å; V326-L405 PolarHBondContact N-O 2.84Å; V326-L405 PolarHBondContact O-N 3.11Å; I353-L405 HydrophobicContact CG2-CD2 3.97Å; L355-L405 HydrophobicContact CD2-CD2 4.26Å; M403-L405 HydrophobicContact CB-CD2 4.02Å; M403-L405 HydrophobicContact CB-CG 4.07Å; M403-L405 HydrophobicContact SD-CD1 4.49Å; L405-F409 HydrophobicContact CB-CD1 4.25Å; L405-F409 HydrophobicContact CD1-CD1 4.38Å; L405-F409 HydrophobicContact CD1-CE1 4.37Å; L405-F409 HydrophobicContact CD2-CD1 3.86Å; L405-F409 HydrophobicContact CD2-CE1 3.86Å; L405-F409 HydrophobicContact CG-CD1 4.38Å; L405-V410 HydrophobicContact CB-CG2 3.77Å; L405-V410 HydrophobicContact CD1-CG2 4.46Å; L405-F439 HydrophobicContact CD1-CD1 3.84Å; L405-F439 HydrophobicContact CD1-CE1 3.93Å; L405-F439 HydrophobicContact CD1-CG 4.43Å |
| 406 | P | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 152.5 | 175.1 | 31.3 | -34.1 | 0 | 0 | 0 | 110.2 | D324 F325 R350 K352 I353 I408 F409 V410 | D324-P406 CarbonylContact O-C 3.58Å; D324-P406 WeakPolarHBondContact O-CA 3.44Å; F325-P406 HydrophobicContact CD1-CB 4.04Å; F325-P406 HydrophobicContact CE1-CB 3.69Å; F325-P406 HydrophobicContact CE1-CG 4.41Å; F325-P406 HydrophobicContact CZ-CB 4.28Å; R350-P406 WeakPolarHBondContact O-CB 3.41Å; K352-P406 WeakPolarHBondContact O-CD 3Å; I353-P406 HydrophobicContact CG1-CG 3.78Å; P406-I408 HydrophobicContact CB-CG2 4.24Å; P406-I408 HydrophobicContact CG-CG2 4.2Å; P406-I408 PolarHBondContact O-N 3.17Å; P406-I408 VanDerWaalsContact O-N 3.16Å; P406-F409 HydrophobicContact CG-CB 3.95Å; P406-F409 PolarHBondContact O-N 3.35Å; P406-V410 PolarHBondContact O-N 3.37Å; P406-V410 VanDerWaalsContact O-N 3.14Å |
| 407 | K | 97.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 29.9 Ų | 29.9 | 34% | 0.343 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -49.9 | -44.3 | -178.5 | -174.1 | -173.9 | -172.1 | -45.9 | 0 | 113 | W323 D324 F409 V410 D411 | W323-K407 HydrophobicContact CD2-CG 4.5Å; W323-K407 HydrophobicContact CE3-CB 3.93Å; W323-K407 HydrophobicContact CE3-CG 4.22Å; W323-K407 HydrophobicContact CH2-CB 3.86Å; W323-K407 HydrophobicContact CH2-CG 3.63Å; W323-K407 HydrophobicContact CZ2-CG 3.93Å; W323-K407 HydrophobicContact CZ3-CB 3.5Å; W323-K407 VanDerWaalsContact CZ3-CB 3.5Å; W323-K407 HydrophobicContact CZ3-CG 3.79Å; D324-K407 PolarHBondContact O-N 3.25Å; K407-F409 VanDerWaalsContact C-N 3.27Å; K407-F409 PolarHBondContact O-N 2.83Å; K407-V410 PolarHBondContact O-N 2.86Å; K407-D411 IonicContact NZ-OD1 3.93Å; K407-D411 PolarHBondContact NZ-OD1 3.48Å; K407-D411 IonicContact NZ-OD2 3.99Å; K407-D411 PolarHBondContact NZ-OD2 3.34Å; K407-D411 WeakPolarHBondContact O-CB 3.42Å; K407-D411 VanDerWaalsContact O-CG 3.28Å; K407-D411 PolarHBondContact O-N 3.42Å |
| 408 | I | 97 | Very high | 95.4 | Very high | 93 Ų | 93 | 30.9 Ų | 30.9 | 48% | 0.477 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.3 | -36.1 | -179.4 | -171.1 | 165.7 | 0 | 0 | 0 | 113.2 | P406 Y412 F448 | P406-I408 HydrophobicContact CB-CG2 4.24Å; P406-I408 HydrophobicContact CG-CG2 4.2Å; P406-I408 PolarHBondContact O-N 3.17Å; P406-I408 VanDerWaalsContact O-N 3.16Å; I408-Y412 PolarHBondContact O-N 3.09Å; I408-F448 HydrophobicContact CG1-CE1 4.08Å; I408-F448 HydrophobicContact CG1-CZ 4.17Å; I408-F448 HydrophobicContact CG2-CE1 4.03Å |
| 409 | F | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.4 | -41.2 | 176.7 | 179.5 | -111.1 | 0 | 0 | 0 | 111.5 | I353 L405 P406 K407 Y412 V413 F439 V442 A443 F448 | I353-F409 HydrophobicContact CD1-CB 3.93Å; I353-F409 HydrophobicContact CD1-CD1 4.21Å; I353-F409 HydrophobicContact CD1-CD2 3.52Å; I353-F409 HydrophobicContact CD1-CE2 4.02Å; I353-F409 HydrophobicContact CD1-CG 3.61Å; I353-F409 HydrophobicContact CG1-CB 4.08Å; I353-F409 HydrophobicContact CG1-CD1 4.42Å; I353-F409 HydrophobicContact CG1-CD2 4.46Å; I353-F409 HydrophobicContact CG1-CG 4.07Å; L405-F409 HydrophobicContact CB-CD1 4.25Å; L405-F409 HydrophobicContact CD1-CD1 4.38Å; L405-F409 HydrophobicContact CD1-CE1 4.37Å; L405-F409 HydrophobicContact CD2-CD1 3.86Å; L405-F409 HydrophobicContact CD2-CE1 3.86Å; L405-F409 HydrophobicContact CG-CD1 4.38Å; P406-F409 HydrophobicContact CG-CB 3.95Å; P406-F409 PolarHBondContact O-N 3.35Å; K407-F409 VanDerWaalsContact C-N 3.27Å; K407-F409 PolarHBondContact O-N 2.83Å; F409-Y412 WeakPolarHBondContact O-CB 3.43Å; F409-Y412 PolarHBondContact O-N 3.16Å; F409-V413 HydrophobicContact CD1-CG2 4.38Å; F409-V413 HydrophobicContact CE1-CG2 3.99Å; F409-V413 HydrophobicContact CE2-CG2 4.15Å; F409-V413 HydrophobicContact CZ-CG2 3.87Å; F409-V413 WeakPolarHBondContact O-CG2 3.49Å; F409-V413 PolarHBondContact O-N 3.35Å; F409-F439 HydrophobicContact CE1-CB 4.45Å; F409-F439 HydrophobicContact CE1-CD1 4.02Å; F409-V442 HydrophobicContact CE2-CG1 3.96Å; F409-V442 HydrophobicContact CZ-CB 4.3Å; F409-V442 HydrophobicContact CZ-CG1 4.11Å; F409-A443 HydrophobicContact CE2-CB 3.8Å; F409-A443 HydrophobicContact CZ-CB 3.84Å; F409-F448 HydrophobicContact CB-CD1 4.39Å; F409-F448 HydrophobicContact CB-CE1 4.16Å; F409-F448 HydrophobicContact CB-CZ 4.34Å; F409-F448 HydrophobicContact CD2-CB 4.24Å; F409-F448 HydrophobicContact CD2-CD1 4.12Å; F409-F448 AromaticContact CD2-CD2 3.56Å; F409-F448 HydrophobicContact CD2-CD2 3.56Å; F409-F448 HydrophobicContact CD2-CE1 4.39Å; F409-F448 AromaticContact CD2-CE2 3.86Å; F409-F448 HydrophobicContact CD2-CE2 3.86Å; F409-F448 AromaticContact CD2-CG 3.7Å; F409-F448 HydrophobicContact CD2-CG 3.7Å; F409-F448 HydrophobicContact CD2-CZ 4.26Å; F409-F448 HydrophobicContact CE2-CD2 4.06Å; F409-F448 HydrophobicContact CE2-CG 4.33Å |
| 410 | V | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L311 W323 V326 L405 P406 K407 Y412 V413 I414 | L311-V410 HydrophobicContact CB-CG1 4.03Å; L311-V410 HydrophobicContact CD1-CG1 4.46Å; L311-V410 HydrophobicContact CD2-CG1 3.94Å; L311-V410 HydrophobicContact CD2-CG2 4.11Å; L311-V410 HydrophobicContact CG-CG1 4.36Å; W323-V410 HydrophobicContact CH2-CB 3.89Å; W323-V410 HydrophobicContact CH2-CG1 3.89Å; W323-V410 HydrophobicContact CH2-CG2 4.13Å; W323-V410 HydrophobicContact CZ3-CG2 4.4Å; V326-V410 HydrophobicContact CG2-CG2 4.27Å; L405-V410 HydrophobicContact CB-CG2 3.77Å; L405-V410 HydrophobicContact CD1-CG2 4.46Å; P406-V410 PolarHBondContact O-N 3.37Å; P406-V410 VanDerWaalsContact O-N 3.14Å; K407-V410 PolarHBondContact O-N 2.86Å; V410-Y412 VanDerWaalsContact C-N 3.28Å; V410-Y412 PolarHBondContact O-N 3.26Å; V410-V413 PolarHBondContact O-N 2.71Å; V410-V413 VanDerWaalsContact O-N 3.13Å; V410-I414 HydrophobicContact CG1-CG1 4.27Å; V410-I414 WeakPolarHBondContact O-CG1 3.26Å; V410-I414 PolarHBondContact O-N 2.97Å |
| 411 | D | 96.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.6 | -43 | 176.8 | -71.9 | -16.8 | 0 | 0 | 0 | 110.9 | K407 I414 Y415 | K407-D411 IonicContact NZ-OD1 3.93Å; K407-D411 PolarHBondContact NZ-OD1 3.48Å; K407-D411 IonicContact NZ-OD2 3.99Å; K407-D411 PolarHBondContact NZ-OD2 3.34Å; K407-D411 WeakPolarHBondContact O-CB 3.42Å; K407-D411 VanDerWaalsContact O-CG 3.28Å; K407-D411 PolarHBondContact O-N 3.42Å; D411-I414 PolarHBondContact O-N 3.11Å; D411-Y415 HydrophobicContact CB-CD2 3.92Å; D411-Y415 HydrophobicContact CB-CE2 4.25Å; D411-Y415 VanDerWaalsContact O-CB 3.29Å; D411-Y415 WeakPolarHBondContact O-CB 3.48Å; D411-Y415 WeakPolarHBondContact O-CD2 3.39Å; D411-Y415 PolarHBondContact O-N 3.24Å |
| 412 | Y | 97.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.2 | 177.1 | -94.5 | 0 | 0 | 0 | 112.5 | I408 F409 V410 I414 S416 S418 L421 V442 T446 H447 F448 | I408-Y412 PolarHBondContact O-N 3.09Å; F409-Y412 WeakPolarHBondContact O-CB 3.43Å; F409-Y412 PolarHBondContact O-N 3.16Å; V410-Y412 VanDerWaalsContact C-N 3.28Å; V410-Y412 PolarHBondContact O-N 3.26Å; Y412-I414 PolarHBondContact O-N 2Å; Y412-S416 WeakPolarHBondContact CE2-OG 3.32Å; Y412-S416 WeakPolarHBondContact O-CB 3.43Å; Y412-S416 PolarHBondContact O-N 2.91Å; Y412-S418 PolarHBondContact OH-OG 2.69Å; Y412-S418 VanDerWaalsContact OH-OG 3.11Å; Y412-L421 HydrophobicContact CE1-CD2 4.22Å; Y412-L421 WeakPolarHBondContact O-CD2 3.39Å; Y412-V442 HydrophobicContact CD1-CG1 4.3Å; Y412-V442 HydrophobicContact CE1-CG1 3.99Å; Y412-T446 HydrophobicContact CE1-CG2 3.66Å; Y412-T446 VanDerWaalsContact OH-CG2 3.3Å; Y412-T446 WeakPolarHBondContact OH-CG2 3.42Å; Y412-H447 AromaticContact CD2-CE1 3.5Å; Y412-H447 AromaticContact CE2-CE1 3.5Å; Y412-F448 HydrophobicContact CD1-CD2 4.35Å; Y412-F448 AromaticContact CD1-CE2 3.83Å; Y412-F448 HydrophobicContact CD1-CE2 3.83Å; Y412-F448 HydrophobicContact CD2-CE2 4.07Å; Y412-F448 HydrophobicContact CG-CD2 4.45Å; Y412-F448 AromaticContact CG-CE2 3.53Å; Y412-F448 HydrophobicContact CG-CE2 3.53Å; Y412-F448 HydrophobicContact CG-CZ 4.32Å |
| 413 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -33.8 | 179.8 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | L308 F409 V410 K425 F438 F439 V442 | L308-V413 HydrophobicContact CD2-CG1 3.6Å; F409-V413 HydrophobicContact CD1-CG2 4.38Å; F409-V413 HydrophobicContact CE1-CG2 3.99Å; F409-V413 HydrophobicContact CE2-CG2 4.15Å; F409-V413 HydrophobicContact CZ-CG2 3.87Å; F409-V413 WeakPolarHBondContact O-CG2 3.49Å; F409-V413 PolarHBondContact O-N 3.35Å; V410-V413 PolarHBondContact O-N 2.71Å; V410-V413 VanDerWaalsContact O-N 3.13Å; V413-K425 WeakPolarHBondContact O-CE 3.14Å; V413-K425 PolarHBondContact O-NZ 3.43Å; V413-F438 HydrophobicContact CG1-CE1 4Å; V413-F438 HydrophobicContact CG1-CZ 4.3Å; V413-F439 HydrophobicContact CG1-CE1 4.31Å; V413-V442 HydrophobicContact CG2-CG1 4.16Å |
| 414 | I | 96.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -85.3 | -45 | -178.2 | -62.9 | -49.1 | 0 | 0 | 0 | 112.6 | L311 K312 V410 D411 Y412 | L311-I414 HydrophobicContact CB-CD1 3.92Å; L311-I414 HydrophobicContact CB-CG1 4.23Å; K312-I414 HydrophobicContact CB-CD1 3.99Å; K312-I414 HydrophobicContact CB-CG2 4.17Å; K312-I414 HydrophobicContact CG-CG2 4.08Å; V410-I414 HydrophobicContact CG1-CG1 4.27Å; V410-I414 WeakPolarHBondContact O-CG1 3.26Å; V410-I414 PolarHBondContact O-N 2.97Å; D411-I414 PolarHBondContact O-N 3.11Å; Y412-I414 PolarHBondContact O-N 2Å |
| 415 | Y | 95.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 43.3 Ų | 43.3 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -104 | -13.8 | -167.5 | -58.2 | -60.4 | 0 | 0 | 0 | 114.9 | S315 L316 D411 D417 | S315-Y415 VanDerWaalsContact CB-OH 3.3Å; S315-Y415 WeakPolarHBondContact CB-OH 3.33Å; S315-Y415 PolarHBondContact O-OH 3.06Å; L316-Y415 HydrophobicContact CD2-CE1 3.79Å; L316-Y415 WeakPolarHBondContact CD2-OH 3.42Å; L316-Y415 HydrophobicContact CG-CE1 4.32Å; D411-Y415 HydrophobicContact CB-CD2 3.92Å; D411-Y415 HydrophobicContact CB-CE2 4.25Å; D411-Y415 VanDerWaalsContact O-CB 3.29Å; D411-Y415 WeakPolarHBondContact O-CB 3.48Å; D411-Y415 WeakPolarHBondContact O-CD2 3.39Å; D411-Y415 PolarHBondContact O-N 3.24Å; Y415-D417 PolarHBondContact O-N 3.11Å |
| 416 | S | 94.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | trans | -74.3 | 126.3 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | Y412 S418 | Y412-S416 WeakPolarHBondContact CE2-OG 3.32Å; Y412-S416 WeakPolarHBondContact O-CB 3.43Å; Y412-S416 PolarHBondContact O-N 2.91Å; S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 2.88Å; S416-S418 WeakPolarHBondContact OG-CB 3.45Å; S416-S418 PolarHBondContact OG-N 3.36Å; S416-S418 PolarHBondContact OG-OG 3.45Å | ||
| 417 | D | 90.3 | Very high | 94.6 | Very high | 156 Ų | 156 | 46 Ų | 46 | 83% | 0.834 | 22% | 0.22 | S | C | * | . | trans | -91.5 | 19.8 | 170.3 | -65.1 | -41.5 | 0 | 0 | 0 | 112.7 | Y415 N419 | Y415-D417 PolarHBondContact O-N 3.11Å; D417-N419 PolarHBondContact O-N 2.98Å | ||
| 418 | S | 92 | Very high | 94.4 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | trans | -61.5 | 137.6 | -180 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | Y412 S416 L420 L421 R422 | Y412-S418 PolarHBondContact OH-OG 2.69Å; Y412-S418 VanDerWaalsContact OH-OG 3.11Å; S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 2.88Å; S416-S418 WeakPolarHBondContact OG-CB 3.45Å; S416-S418 PolarHBondContact OG-N 3.36Å; S416-S418 PolarHBondContact OG-OG 3.45Å; S418-L420 PolarHBondContact O-N 2.03Å; S418-L421 PolarHBondContact O-N 2.73Å; S418-L421 VanDerWaalsContact O-N 3.12Å; S418-L421 VanDerWaalsContact OG-CB 3.28Å; S418-L421 WeakPolarHBondContact OG-CB 3.38Å; S418-L421 PolarHBondContact OG-N 2.86Å; S418-R422 PolarHBondContact O-N 2.79Å; S418-R422 VanDerWaalsContact O-N 3.07Å | ||
| 419 | N | 91 | Very high | 94.3 | Very high | 83 Ų | 83 | 41.1 Ų | 41.1 | 44% | 0.444 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.8 | -42.3 | 178.1 | -72 | -33.9 | 0 | 0 | 0 | 111.1 | D417 L421 R422 D423 | D417-N419 PolarHBondContact O-N 2.98Å; N419-L421 PolarHBondContact O-N 3.5Å; N419-R422 PolarHBondContact O-N 3.03Å; N419-R422 PolarHBondContact OD1-NH2 3.48Å; N419-D423 WeakPolarHBondContact O-CB 3.23Å; N419-D423 PolarHBondContact O-N 3.02Å |
| 420 | L | 92.5 | Very high | 94 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 177.1 | 178.4 | 63.1 | 0 | 0 | 0 | 112.3 | F96 Y100 I394 S418 D423 I424 N445 T446 | F96-L420 HydrophobicContact CB-CD1 4.43Å; F96-L420 HydrophobicContact CD1-CD1 4.1Å; Y100-L420 HydrophobicContact CD1-CD2 4.25Å; Y100-L420 HydrophobicContact CD2-CD2 3.92Å; Y100-L420 HydrophobicContact CE1-CB 4.26Å; Y100-L420 HydrophobicContact CE1-CD2 4.32Å; Y100-L420 HydrophobicContact CE2-CB 3.81Å; Y100-L420 HydrophobicContact CE2-CD2 4Å; Y100-L420 HydrophobicContact CG-CD2 4.05Å; I394-L420 HydrophobicContact CG2-CD1 3.66Å; S418-L420 PolarHBondContact O-N 2.03Å; L420-D423 PolarHBondContact O-N 3.39Å; L420-I424 HydrophobicContact CD1-CD1 3.81Å; L420-I424 HydrophobicContact CD1-CG1 4.2Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 WeakPolarHBondContact O-CB 3.35Å; L420-I424 VanDerWaalsContact O-CG1 3.24Å; L420-I424 WeakPolarHBondContact O-CG1 3.31Å; L420-I424 PolarHBondContact O-N 3.13Å; L420-N445 HydrophobicContact CD2-CB 4.14Å; L420-N445 WeakPolarHBondContact CD2-O 3.05Å; L420-T446 HydrophobicContact CD2-CG2 4.22Å |
| 421 | L | 94.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | -179.5 | -179.9 | 61.3 | 0 | 0 | 0 | 111.9 | Y412 S418 N419 I424 K425 F438 V442 | Y412-L421 HydrophobicContact CE1-CD2 4.22Å; Y412-L421 WeakPolarHBondContact O-CD2 3.39Å; S418-L421 PolarHBondContact O-N 2.73Å; S418-L421 VanDerWaalsContact O-N 3.12Å; S418-L421 VanDerWaalsContact OG-CB 3.28Å; S418-L421 WeakPolarHBondContact OG-CB 3.38Å; S418-L421 PolarHBondContact OG-N 2.86Å; N419-L421 PolarHBondContact O-N 3.5Å; L421-I424 PolarHBondContact O-N 2.77Å; L421-K425 HydrophobicContact CD1-CG 4.48Å; L421-K425 HydrophobicContact CG-CD 4.38Å; L421-K425 WeakPolarHBondContact O-CG 3.45Å; L421-K425 PolarHBondContact O-N 2.89Å; L421-F438 HydrophobicContact CD1-CZ 4.19Å; L421-V442 HydrophobicContact CD1-CG1 3.92Å; L421-V442 HydrophobicContact CD1-CG2 3.69Å |
| 422 | R | 92.3 | Very high | 93.7 | Very high | 147 Ų | 147 | 40.8 Ų | 40.8 | 56% | 0.555 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.6 | -46.8 | 175.6 | -176.9 | -178.2 | 64.4 | -152.1 | -9.6 | 111.1 | S418 N419 I424 K425 E426 | S418-R422 PolarHBondContact O-N 2.79Å; S418-R422 VanDerWaalsContact O-N 3.07Å; N419-R422 PolarHBondContact O-N 3.03Å; N419-R422 PolarHBondContact OD1-NH2 3.48Å; R422-I424 VanDerWaalsContact C-N 3.32Å; R422-I424 PolarHBondContact O-N 2.81Å; R422-K425 PolarHBondContact O-N 2.83Å; R422-E426 PolarHBondContact O-N 2.97Å |
| 423 | D | 92 | Very high | 93.5 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 179.8 | -63.4 | -14 | 0 | 0 | 0 | 110.7 | Y93 F96 N419 L420 E426 Y427 | Y93-D423 HydrophobicContact CD1-CB 4.22Å; Y93-D423 HydrophobicContact CE1-CB 3.87Å; F96-D423 HydrophobicContact CD1-CB 3.72Å; F96-D423 HydrophobicContact CE1-CB 3.66Å; N419-D423 WeakPolarHBondContact O-CB 3.23Å; N419-D423 PolarHBondContact O-N 3.02Å; L420-D423 PolarHBondContact O-N 3.39Å; D423-E426 PolarHBondContact O-N 3.44Å; D423-Y427 WeakPolarHBondContact O-CB 3.17Å; D423-Y427 PolarHBondContact O-N 2.95Å |
| 424 | I | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 176.6 | -71.2 | 171.2 | 0 | 0 | 0 | 110.1 | F96 L420 L421 R422 E426 Y427 F428 F438 T441 V442 | F96-I424 HydrophobicContact CD1-CG1 4.21Å; F96-I424 HydrophobicContact CE1-CB 4.39Å; F96-I424 HydrophobicContact CE1-CG1 3.66Å; F96-I424 HydrophobicContact CZ-CG1 4.34Å; L420-I424 HydrophobicContact CD1-CD1 3.81Å; L420-I424 HydrophobicContact CD1-CG1 4.2Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 WeakPolarHBondContact O-CB 3.35Å; L420-I424 VanDerWaalsContact O-CG1 3.24Å; L420-I424 WeakPolarHBondContact O-CG1 3.31Å; L420-I424 PolarHBondContact O-N 3.13Å; L421-I424 PolarHBondContact O-N 2.77Å; R422-I424 VanDerWaalsContact C-N 3.32Å; R422-I424 PolarHBondContact O-N 2.81Å; I424-E426 VanDerWaalsContact C-N 3.33Å; I424-E426 PolarHBondContact O-N 2.79Å; I424-Y427 PolarHBondContact O-N 3.31Å; I424-F428 HydrophobicContact CG2-CD2 3.61Å; I424-F428 HydrophobicContact CG2-CE2 3.78Å; I424-F428 VanDerWaalsContact O-CD2 3.32Å; I424-F428 WeakPolarHBondContact O-CD2 3.45Å; I424-F428 PolarHBondContact O-N 3.02Å; I424-F438 HydrophobicContact CG2-CD2 3.89Å; I424-F438 HydrophobicContact CG2-CE2 3.86Å; I424-T441 HydrophobicContact CD1-CG2 4.32Å; I424-V442 HydrophobicContact CB-CG2 4.5Å; I424-V442 HydrophobicContact CD1-CG2 4.33Å; I424-V442 HydrophobicContact CG2-CG2 3.72Å |
| 425 | K | 93.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 39 Ų | 39 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.1 | -76.3 | 173.8 | 179.1 | 171.9 | 0 | 111.4 | V413 L421 R422 F428 R429 F438 | V413-K425 WeakPolarHBondContact O-CE 3.14Å; V413-K425 PolarHBondContact O-NZ 3.43Å; L421-K425 HydrophobicContact CD1-CG 4.48Å; L421-K425 HydrophobicContact CG-CD 4.38Å; L421-K425 WeakPolarHBondContact O-CG 3.45Å; L421-K425 PolarHBondContact O-N 2.89Å; R422-K425 PolarHBondContact O-N 2.83Å; K425-F428 PolarHBondContact O-N 2.89Å; K425-R429 PolarHBondContact O-N 3.28Å; K425-F438 HydrophobicContact CB-CE2 4.38Å; K425-F438 HydrophobicContact CG-CE2 3.62Å; K425-F438 HydrophobicContact CG-CZ 3.8Å |
| 426 | E | 91.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 35 Ų | 35 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.2 | -38.8 | 178.8 | -172.7 | 64.1 | -168.4 | 0 | 0 | 112.3 | Y93 R422 D423 I424 F428 R429 Y430 | Y93-E426 HydrophobicContact CE2-CB 3.82Å; Y93-E426 HydrophobicContact CE2-CG 3.47Å; Y93-E426 VanDerWaalsContact CE2-CG 3.47Å; Y93-E426 WeakPolarHBondContact OH-CG 3.44Å; R422-E426 PolarHBondContact O-N 2.97Å; D423-E426 PolarHBondContact O-N 3.44Å; I424-E426 VanDerWaalsContact C-N 3.33Å; I424-E426 PolarHBondContact O-N 2.79Å; E426-F428 PolarHBondContact O-N 2.77Å; E426-R429 VanDerWaalsContact O-CB 3.26Å; E426-R429 WeakPolarHBondContact O-CB 3.29Å; E426-R429 PolarHBondContact O-N 3.17Å; E426-Y430 HydrophobicContact CG-CE2 4.28Å; E426-Y430 WeakPolarHBondContact O-CD2 3.26Å; E426-Y430 WeakPolarHBondContact OE1-CE2 3.29Å; E426-Y430 PolarHBondContact OE1-OH 2.79Å |
| 427 | Y | 93.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.1 | 174 | -95.2 | 0 | 0 | 0 | 112.7 | F96 F371 R388 P391 L396 D423 I424 R429 Y430 S431 | F96-Y427 HydrophobicContact CE2-CD2 4.49Å; F96-Y427 HydrophobicContact CZ-CD2 4.32Å; F96-Y427 AromaticContact CZ-CG 3.98Å; F96-Y427 HydrophobicContact CZ-CG 3.98Å; F371-Y427 HydrophobicContact CD1-CE1 4.08Å; F371-Y427 WeakPolarHBondContact CD1-OH 3.09Å; F371-Y427 HydrophobicContact CE1-CE1 4.35Å; F371-Y427 PolarHBondContact O-OH 2.95Å; R388-Y427 VanDerWaalsContact CZ-CE2 3.44Å; R388-Y427 VanDerWaalsContact CZ-CZ 3.46Å; R388-Y427 VanDerWaalsContact NH1-CE2 3.32Å; R388-Y427 PolarHBondContact NH1-O 3.16Å; R388-Y427 VanDerWaalsContact NH2-CZ 3.32Å; R388-Y427 PolarHBondContact NH2-OH 2.95Å; P391-Y427 HydrophobicContact CB-CE2 4.23Å; P391-Y427 VanDerWaalsContact CD-OH 3.28Å; P391-Y427 WeakPolarHBondContact CD-OH 3.36Å; P391-Y427 HydrophobicContact CG-CD2 4.38Å; P391-Y427 HydrophobicContact CG-CE1 4.38Å; P391-Y427 HydrophobicContact CG-CE2 3.66Å; L396-Y427 HydrophobicContact CD2-CE1 4.44Å; D423-Y427 WeakPolarHBondContact O-CB 3.17Å; D423-Y427 PolarHBondContact O-N 2.95Å; I424-Y427 PolarHBondContact O-N 3.31Å; Y427-R429 VanDerWaalsContact C-N 3.27Å; Y427-R429 PolarHBondContact O-N 2.63Å; Y427-Y430 PolarHBondContact O-N 3.43Å; Y427-S431 PolarHBondContact O-OG 3.14Å |
| 428 | F | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.5 | -20.9 | -178.8 | -84.2 | -74.8 | 0 | 0 | 0 | 113.6 | Q301 L304 F371 I424 K425 E426 Y430 S431 P434 S437 F438 T441 | Q301-F428 PolarHBondContact OE1-O 2.83Å; L304-F428 HydrophobicContact CD2-CB 4.06Å; F371-F428 AromaticContact CE1-CE1 3.81Å; F371-F428 HydrophobicContact CE1-CE1 3.81Å; F371-F428 AromaticContact CE1-CZ 3.98Å; F371-F428 HydrophobicContact CE1-CZ 3.98Å; I424-F428 HydrophobicContact CG2-CD2 3.61Å; I424-F428 HydrophobicContact CG2-CE2 3.78Å; I424-F428 VanDerWaalsContact O-CD2 3.32Å; I424-F428 WeakPolarHBondContact O-CD2 3.45Å; I424-F428 PolarHBondContact O-N 3.02Å; K425-F428 PolarHBondContact O-N 2.89Å; E426-F428 PolarHBondContact O-N 2.77Å; F428-Y430 PolarHBondContact O-N 3.48Å; F428-Y430 VanDerWaalsContact O-N 3.13Å; F428-S431 PolarHBondContact O-N 2.75Å; F428-S431 VanDerWaalsContact O-N 3.13Å; F428-P434 HydrophobicContact CB-CB 4.13Å; F428-P434 HydrophobicContact CD1-CB 3.95Å; F428-P434 WeakPolarHBondContact O-CB 3.39Å; F428-S437 VanDerWaalsContact CE1-CB 3.43Å; F428-F438 HydrophobicContact CB-CB 4.47Å; F428-F438 HydrophobicContact CB-CD2 4.04Å; F428-F438 HydrophobicContact CD1-CB 4.23Å; F428-F438 HydrophobicContact CD2-CB 4.09Å; F428-F438 AromaticContact CD2-CD2 3.71Å; F428-F438 HydrophobicContact CD2-CD2 3.71Å; F428-F438 HydrophobicContact CD2-CG 4.39Å; F428-F438 HydrophobicContact CE2-CB 4.42Å; F428-F438 HydrophobicContact CE2-CD2 4.49Å; F428-F438 HydrophobicContact CG-CB 3.99Å; F428-F438 HydrophobicContact CG-CD2 4.01Å; F428-T441 HydrophobicContact CE2-CG2 4.04Å; F428-T441 HydrophobicContact CZ-CG2 4.44Å |
| 429 | R | 93.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 25.1 Ų | 25.1 | 26% | 0.257 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -28.8 | 169.7 | -168.8 | -178.9 | 172.5 | 106.6 | 5.3 | 113.5 | Q301 K425 E426 Y427 | Q301-R429 HydrophobicContact CG-CG 4.24Å; K425-R429 PolarHBondContact O-N 3.28Å; E426-R429 VanDerWaalsContact O-CB 3.26Å; E426-R429 WeakPolarHBondContact O-CB 3.29Å; E426-R429 PolarHBondContact O-N 3.17Å; Y427-R429 VanDerWaalsContact C-N 3.27Å; Y427-R429 PolarHBondContact O-N 2.63Å |
| 430 | Y | 93.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 8% | 0.078 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 28 | -179.3 | -45.3 | -74.9 | 0 | 0 | 0 | 113.5 | V86 V91 L374 F375 L376 R388 E426 Y427 F428 | V86-Y430 HydrophobicContact CG1-CD1 3.68Å; V86-Y430 HydrophobicContact CG1-CE1 3.94Å; V86-Y430 HydrophobicContact CG1-CG 4.42Å; V86-Y430 HydrophobicContact CG2-CD1 4.35Å; V86-Y430 HydrophobicContact CG2-CE1 3.78Å; V91-Y430 HydrophobicContact CB-CE2 4.24Å; V91-Y430 HydrophobicContact CG2-CE2 4.08Å; L374-Y430 HydrophobicContact CD1-CG 4.41Å; F375-Y430 PolarHBondContact N-O 3.27Å; F375-Y430 VanDerWaalsContact N-O 3.12Å; F375-Y430 CarbonylContact O-C 2.93Å; F375-Y430 WeakPolarHBondContact O-CA 3.19Å; F375-Y430 WeakPolarHBondContact O-CB 3.34Å; F375-Y430 VanDerWaalsContact O-O 3.09Å; L376-Y430 HydrophobicContact CD1-CD1 3.86Å; L376-Y430 HydrophobicContact CD1-CE1 3.98Å; R388-Y430 PolarHBondContact NH1-O 2.81Å; E426-Y430 HydrophobicContact CG-CE2 4.28Å; E426-Y430 WeakPolarHBondContact O-CD2 3.26Å; E426-Y430 WeakPolarHBondContact OE1-CE2 3.29Å; E426-Y430 PolarHBondContact OE1-OH 2.79Å; Y427-Y430 PolarHBondContact O-N 3.43Å; F428-Y430 PolarHBondContact O-N 3.48Å; F428-Y430 VanDerWaalsContact O-N 3.13Å |
| 431 | S | 93.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 4% | 0.035 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -114.2 | 152.4 | -177.7 | -60 | 0 | 0 | 0 | 0 | 111.5 | R388 Y427 F428 | R388-S431 PolarHBondContact NH1-OG 2.89Å; R388-S431 PolarHBondContact NH2-OG 3.21Å; Y427-S431 PolarHBondContact O-OG 3.14Å; F428-S431 PolarHBondContact O-N 2.75Å; F428-S431 VanDerWaalsContact O-N 3.13Å |
| 432 | L | 93.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 21 Ų | 21 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -75.5 | 144.6 | 168.9 | 178 | 62.8 | 0 | 0 | 0 | 109.8 | F375 V382 P434 W478 | F375-L432 HydrophobicContact CB-CB 4.43Å; F375-L432 HydrophobicContact CD1-CB 4.48Å; F375-L432 HydrophobicContact CD2-CB 3.47Å; F375-L432 VanDerWaalsContact CD2-CB 3.47Å; F375-L432 HydrophobicContact CE2-CB 3.64Å; F375-L432 HydrophobicContact CE2-CD2 4.01Å; F375-L432 HydrophobicContact CE2-CG 4.36Å; F375-L432 HydrophobicContact CG-CB 3.89Å; F375-L432 HydrophobicContact CZ-CB 4.28Å; F375-L432 HydrophobicContact CZ-CD2 3.97Å; V382-L432 HydrophobicContact CG1-CD1 4.4Å; L432-P434 VanDerWaalsContact C-N 3.34Å; L432-W478 HydrophobicContact CD1-CB 3.86Å; L432-W478 HydrophobicContact CD1-CD2 3.73Å; L432-W478 HydrophobicContact CD1-CE3 3.71Å; L432-W478 HydrophobicContact CD1-CG 3.8Å; L432-W478 HydrophobicContact CD1-CZ3 4.48Å; L432-W478 HydrophobicContact CD2-CB 4.12Å |
| 433 | L | 93.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 14 Ų | 14 | 6% | 0.063 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 48.7 | 49.1 | 175.7 | -63.3 | 159.5 | 0 | 0 | 0 | 112.8 | W298 G299 V435 E436 W478 | W298-L433 HydrophobicContact CD2-CD2 4.3Å; W298-L433 HydrophobicContact CZ2-CD2 4.04Å; G299-L433 PolarHBondContact O-N 2.67Å; L433-V435 PolarHBondContact O-N 2.67Å; L433-V435 VanDerWaalsContact O-N 3.08Å; L433-E436 HydrophobicContact CB-CB 4.29Å; L433-E436 HydrophobicContact CB-CG 4.14Å; L433-E436 WeakPolarHBondContact O-CB 3.39Å; L433-E436 PolarHBondContact O-N 3.18Å; L433-W478 HydrophobicContact CD2-CZ3 4.3Å |
| 434 | P | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.9 | -30.5 | -165.7 | 23.9 | -33.3 | 0 | 0 | 0 | 113.4 | G300 L304 F428 L432 E436 S437 F438 | G300-P434 VanDerWaalsContact O-CG 3.29Å; G300-P434 WeakPolarHBondContact O-CG 3.36Å; L304-P434 HydrophobicContact CB-CB 4.36Å; L304-P434 HydrophobicContact CB-CG 4.19Å; L304-P434 HydrophobicContact CD2-CB 3.99Å; F428-P434 HydrophobicContact CB-CB 4.13Å; F428-P434 HydrophobicContact CD1-CB 3.95Å; F428-P434 WeakPolarHBondContact O-CB 3.39Å; L432-P434 VanDerWaalsContact C-N 3.34Å; P434-E436 VanDerWaalsContact C-N 3.32Å; P434-E436 PolarHBondContact O-N 3.23Å; P434-S437 PolarHBondContact O-N 2.93Å; P434-F438 WeakPolarHBondContact O-CA 3.21Å; P434-F438 WeakPolarHBondContact O-CB 3.16Å; P434-F438 PolarHBondContact O-N 3.01Å |
| 435 | V | 96.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.018 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.5 | -33 | 176.7 | -178 | 0 | 0 | 0 | 0 | 112.9 | L303 L304 F307 D401 M403 L433 S437 F439 | L303-V435 HydrophobicContact CB-CG2 4.18Å; L303-V435 HydrophobicContact CD2-CB 4.49Å; L303-V435 HydrophobicContact CD2-CG2 4.11Å; L303-V435 HydrophobicContact CG-CG2 3.87Å; L304-V435 VanDerWaalsContact CA-CG2 3.45Å; L304-V435 HydrophobicContact CB-CG2 3.69Å; L304-V435 HydrophobicContact CD1-CG2 4.18Å; F307-V435 HydrophobicContact CD2-CG1 3.89Å; F307-V435 HydrophobicContact CD2-CG2 3.95Å; F307-V435 HydrophobicContact CE2-CG1 3.94Å; F307-V435 HydrophobicContact CE2-CG2 4.47Å; D401-V435 HydrophobicContact CB-CB 4.18Å; D401-V435 HydrophobicContact CB-CG1 3.56Å; M403-V435 HydrophobicContact CE-CG1 3.82Å; M403-V435 HydrophobicContact SD-CG1 4.41Å; L433-V435 PolarHBondContact O-N 2.67Å; L433-V435 VanDerWaalsContact O-N 3.08Å; V435-S437 PolarHBondContact O-N 3.03Å; V435-F439 HydrophobicContact CG1-CE2 4.3Å |
| 436 | E | 95.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 10 Ų | 10 | 12% | 0.117 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -67.4 | -19.1 | -179.8 | -65.1 | -171.3 | -177.5 | 0 | 0 | 112.4 | Q369 G398 G399 D401 L433 P434 H440 | Q369-E436 PolarHBondContact NE2-OE2 3.47Å; Q369-E436 VanDerWaalsContact NE2-OE2 3.11Å; G398-E436 CarbonylContact C-O 3.55Å; G398-E436 WeakPolarHBondContact CA-O 3.36Å; G399-E436 PolarHBondContact N-O 3.31Å; D401-E436 HydrophobicContact CB-CG 4.26Å; L433-E436 HydrophobicContact CB-CB 4.29Å; L433-E436 HydrophobicContact CB-CG 4.14Å; L433-E436 WeakPolarHBondContact O-CB 3.39Å; L433-E436 PolarHBondContact O-N 3.18Å; P434-E436 VanDerWaalsContact C-N 3.32Å; P434-E436 PolarHBondContact O-N 3.23Å; E436-H440 PolarHBondContact O-CE1 3.38Å; E436-H440 VanDerWaalsContact O-CE1 3.25Å; E436-H440 PolarHBondContact O-ND1 3.07Å |
| 437 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -127.9 | -25.9 | -170.6 | -73.4 | 0 | 0 | 0 | 0 | 114.5 | Q369 F371 D397 F428 P434 V435 H440 T441 | Q369-S437 PolarHBondContact OE1-OG 3.27Å; F371-S437 WeakPolarHBondContact CZ-OG 3.47Å; D397-S437 WeakPolarHBondContact O-CA 3.29Å; D397-S437 VanDerWaalsContact O-O 3.06Å; F428-S437 VanDerWaalsContact CE1-CB 3.43Å; P434-S437 PolarHBondContact O-N 2.93Å; V435-S437 PolarHBondContact O-N 3.03Å; S437-H440 PolarHBondContact O-N 3.38Å; S437-T441 VanDerWaalsContact O-CB 3.24Å; S437-T441 WeakPolarHBondContact O-CB 3.43Å; S437-T441 PolarHBondContact O-N 3.33Å; S437-T441 PolarHBondContact O-OG1 3.34Å |
| 438 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.3 | -56.4 | -177.7 | 171.9 | -95 | 0 | 0 | 0 | 112.2 | L304 L308 V413 L421 I424 K425 F428 P434 H440 T441 V442 | L304-F438 HydrophobicContact CD1-CB 4.07Å; L304-F438 HydrophobicContact CD1-CD1 3.64Å; L304-F438 HydrophobicContact CD1-CE1 4.27Å; L304-F438 HydrophobicContact CD1-CG 3.86Å; L304-F438 HydrophobicContact CD2-CB 3.92Å; L304-F438 HydrophobicContact CD2-CD1 4.36Å; L304-F438 HydrophobicContact CD2-CD2 3.91Å; L304-F438 HydrophobicContact CD2-CG 3.79Å; L308-F438 HydrophobicContact CD2-CE1 3.86Å; L308-F438 HydrophobicContact CD2-CZ 4.24Å; V413-F438 HydrophobicContact CG1-CE1 4Å; V413-F438 HydrophobicContact CG1-CZ 4.3Å; L421-F438 HydrophobicContact CD1-CZ 4.19Å; I424-F438 HydrophobicContact CG2-CD2 3.89Å; I424-F438 HydrophobicContact CG2-CE2 3.86Å; K425-F438 HydrophobicContact CB-CE2 4.38Å; K425-F438 HydrophobicContact CG-CE2 3.62Å; K425-F438 HydrophobicContact CG-CZ 3.8Å; F428-F438 HydrophobicContact CB-CB 4.47Å; F428-F438 HydrophobicContact CB-CD2 4.04Å; F428-F438 HydrophobicContact CD1-CB 4.23Å; F428-F438 HydrophobicContact CD2-CB 4.09Å; F428-F438 AromaticContact CD2-CD2 3.71Å; F428-F438 HydrophobicContact CD2-CD2 3.71Å; F428-F438 HydrophobicContact CD2-CG 4.39Å; F428-F438 HydrophobicContact CE2-CB 4.42Å; F428-F438 HydrophobicContact CE2-CD2 4.49Å; F428-F438 HydrophobicContact CG-CB 3.99Å; F428-F438 HydrophobicContact CG-CD2 4.01Å; P434-F438 WeakPolarHBondContact O-CA 3.21Å; P434-F438 WeakPolarHBondContact O-CB 3.16Å; P434-F438 PolarHBondContact O-N 3.01Å; F438-H440 VanDerWaalsContact C-N 3.33Å; F438-H440 PolarHBondContact O-N 3.4Å; F438-T441 PolarHBondContact O-N 3.46Å; F438-V442 HydrophobicContact CD2-CG2 4.32Å; F438-V442 HydrophobicContact CE1-CG2 4.13Å; F438-V442 HydrophobicContact CE2-CG2 3.93Å; F438-V442 HydrophobicContact CZ-CG2 3.83Å; F438-V442 WeakPolarHBondContact O-CG2 3.24Å; F438-V442 PolarHBondContact O-N 3.02Å |
| 439 | F | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.6 | -36.6 | -176.3 | -65.6 | -80.8 | 0 | 0 | 0 | 112.1 | L304 F307 L308 L311 L355 M403 L405 F409 V413 V435 A443 | L304-F439 HydrophobicContact CD1-CE2 3.85Å; L304-F439 HydrophobicContact CD1-CZ 4.2Å; F307-F439 HydrophobicContact CB-CE2 4.43Å; F307-F439 HydrophobicContact CB-CZ 4.28Å; L308-F439 HydrophobicContact CD2-CE1 4.48Å; L308-F439 HydrophobicContact CD2-CZ 4.34Å; L311-F439 HydrophobicContact CD1-CE1 3.8Å; L311-F439 HydrophobicContact CD1-CZ 3.95Å; L355-F439 HydrophobicContact CD1-CB 4.27Å; M403-F439 HydrophobicContact CE-CD2 4.02Å; M403-F439 HydrophobicContact CE-CE2 3.9Å; M403-F439 HydrophobicContact SD-CB 3.97Å; M403-F439 HydrophobicContact SD-CD1 4.49Å; M403-F439 HydrophobicContact SD-CD2 3.14Å; M403-F439 WeakPolarHBondContact SD-CD2 3.38Å; M403-F439 HydrophobicContact SD-CE2 3.65Å; M403-F439 HydrophobicContact SD-CG 3.62Å; M403-F439 HydrophobicContact SD-CZ 4.49Å; L405-F439 HydrophobicContact CD1-CD1 3.84Å; L405-F439 HydrophobicContact CD1-CE1 3.93Å; L405-F439 HydrophobicContact CD1-CG 4.43Å; F409-F439 HydrophobicContact CE1-CB 4.45Å; F409-F439 HydrophobicContact CE1-CD1 4.02Å; V413-F439 HydrophobicContact CG1-CE1 4.31Å; V435-F439 HydrophobicContact CG1-CE2 4.3Å; F439-A443 VanDerWaalsContact O-CB 3.27Å; F439-A443 WeakPolarHBondContact O-CB 3.35Å; F439-A443 PolarHBondContact O-N 3.19Å |
| 440 | H | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60 | -53.7 | 172.8 | -65.4 | 81.8 | 0 | 0 | 0 | 110.5 | R356 D397 S400 E436 S437 F438 V442 A443 Q444 | R356-H440 PolarHBondContact O-NE2 3.37Å; D397-H440 VanDerWaalsContact C-CB 3.44Å; D397-H440 HydrophobicContact CB-CB 3.97Å; D397-H440 WeakPolarHBondContact O-CB 3.47Å; S400-H440 PolarHBondContact O-CE1 3.05Å; E436-H440 PolarHBondContact O-CE1 3.38Å; E436-H440 VanDerWaalsContact O-CE1 3.25Å; E436-H440 PolarHBondContact O-ND1 3.07Å; S437-H440 PolarHBondContact O-N 3.38Å; F438-H440 VanDerWaalsContact C-N 3.33Å; F438-H440 PolarHBondContact O-N 3.4Å; H440-V442 PolarHBondContact O-N 2.82Å; H440-A443 PolarHBondContact O-N 2.95Å; H440-Q444 WeakPolarHBondContact O-CB 3.19Å; H440-Q444 VanDerWaalsContact O-CG 3.29Å; H440-Q444 WeakPolarHBondContact O-CG 3.1Å; H440-Q444 PolarHBondContact O-N 2.89Å |
| 441 | T | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -179.4 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | I394 L396 D397 I424 F428 S437 F438 Q444 N445 | I394-T441 HydrophobicContact CD1-CG2 3.97Å; L396-T441 HydrophobicContact CD2-CG2 4.3Å; D397-T441 PolarHBondContact N-OG1 2.67Å; D397-T441 PolarHBondContact O-OG1 2.73Å; I424-T441 HydrophobicContact CD1-CG2 4.32Å; F428-T441 HydrophobicContact CE2-CG2 4.04Å; F428-T441 HydrophobicContact CZ-CG2 4.44Å; S437-T441 VanDerWaalsContact O-CB 3.24Å; S437-T441 WeakPolarHBondContact O-CB 3.43Å; S437-T441 PolarHBondContact O-N 3.33Å; S437-T441 PolarHBondContact O-OG1 3.34Å; F438-T441 PolarHBondContact O-N 3.46Å; T441-Q444 PolarHBondContact O-N 2.73Å; T441-N445 WeakPolarHBondContact O-CB 3.36Å; T441-N445 PolarHBondContact O-N 3.29Å; T441-N445 VanDerWaalsContact O-N 3.09Å; T441-N445 PolarHBondContact O-ND2 3.26Å |
| 442 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | F409 Y412 V413 L421 I424 F438 H440 Q444 N445 T446 | F409-V442 HydrophobicContact CE2-CG1 3.96Å; F409-V442 HydrophobicContact CZ-CB 4.3Å; F409-V442 HydrophobicContact CZ-CG1 4.11Å; Y412-V442 HydrophobicContact CD1-CG1 4.3Å; Y412-V442 HydrophobicContact CE1-CG1 3.99Å; V413-V442 HydrophobicContact CG2-CG1 4.16Å; L421-V442 HydrophobicContact CD1-CG1 3.92Å; L421-V442 HydrophobicContact CD1-CG2 3.69Å; I424-V442 HydrophobicContact CB-CG2 4.5Å; I424-V442 HydrophobicContact CD1-CG2 4.33Å; I424-V442 HydrophobicContact CG2-CG2 3.72Å; F438-V442 HydrophobicContact CD2-CG2 4.32Å; F438-V442 HydrophobicContact CE1-CG2 4.13Å; F438-V442 HydrophobicContact CE2-CG2 3.93Å; F438-V442 HydrophobicContact CZ-CG2 3.83Å; F438-V442 WeakPolarHBondContact O-CG2 3.24Å; F438-V442 PolarHBondContact O-N 3.02Å; H440-V442 PolarHBondContact O-N 2.82Å; V442-Q444 VanDerWaalsContact C-N 3.33Å; V442-Q444 PolarHBondContact O-N 2.96Å; V442-N445 PolarHBondContact O-N 3.13Å; V442-T446 HydrophobicContact CG1-CG2 4.25Å; V442-T446 WeakPolarHBondContact O-CB 3.23Å; V442-T446 WeakPolarHBondContact O-CG2 3.33Å; V442-T446 PolarHBondContact O-N 3.35Å; V442-T446 PolarHBondContact O-OG1 3.13Å |
| 443 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I353 L355 F409 F439 H440 T446 F448 C449 V452 | I353-A443 HydrophobicContact CD1-CB 4.04Å; L355-A443 HydrophobicContact CD1-CB 4.21Å; F409-A443 HydrophobicContact CE2-CB 3.8Å; F409-A443 HydrophobicContact CZ-CB 3.84Å; F439-A443 VanDerWaalsContact O-CB 3.27Å; F439-A443 WeakPolarHBondContact O-CB 3.35Å; F439-A443 PolarHBondContact O-N 3.19Å; H440-A443 PolarHBondContact O-N 2.95Å; A443-T446 PolarHBondContact O-OG1 3.22Å; A443-F448 CarbonylContact O-C 3.43Å; A443-C449 VanDerWaalsContact O-CA 3.26Å; A443-C449 WeakPolarHBondContact O-CA 3.33Å; A443-C449 PolarHBondContact O-N 3.11Å; A443-V452 HydrophobicContact CB-CG2 3.59Å |
| 444 | Q | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.8 | -30.6 | 179.1 | -67.5 | -55.9 | -12.7 | 0 | 0 | 113.6 | C101 Q104 P211 H213 D397 H440 T441 V442 C449 | C101-Q444 WeakPolarHBondContact CB-O 3.22Å; Q104-Q444 PolarHBondContact NE2-O 3.28Å; Q104-Q444 PolarHBondContact OE1-O 3.43Å; P211-Q444 HydrophobicContact CG-CG 4.41Å; H213-Q444 PolarHBondContact CE1-NE2 3.5Å; D397-Q444 HydrophobicContact CB-CB 4.41Å; D397-Q444 HydrophobicContact CB-CG 3.6Å; D397-Q444 VanDerWaalsContact OD2-CG 3.26Å; D397-Q444 WeakPolarHBondContact OD2-CG 3.33Å; D397-Q444 PolarHBondContact OD2-NE2 3.05Å; H440-Q444 WeakPolarHBondContact O-CB 3.19Å; H440-Q444 VanDerWaalsContact O-CG 3.29Å; H440-Q444 WeakPolarHBondContact O-CG 3.1Å; H440-Q444 PolarHBondContact O-N 2.89Å; T441-Q444 PolarHBondContact O-N 2.73Å; V442-Q444 VanDerWaalsContact C-N 3.33Å; V442-Q444 PolarHBondContact O-N 2.96Å; Q444-C449 VanDerWaalsContact O-CB 3.25Å; Q444-C449 WeakPolarHBondContact O-CB 3.25Å |
| 445 | N | 94.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 11.2 | -173.8 | -68.8 | -80.6 | 0 | 0 | 0 | 114.5 | S99 Y100 I394 I395 L420 T441 V442 | S99-N445 WeakPolarHBondContact CB-OD1 3.36Å; S99-N445 VanDerWaalsContact OG-CA 3.29Å; S99-N445 WeakPolarHBondContact OG-CA 3.46Å; S99-N445 PolarHBondContact OG-O 3.28Å; S99-N445 PolarHBondContact OG-OD1 3.38Å; Y100-N445 PolarHBondContact N-O 2.88Å; I394-N445 VanDerWaalsContact CA-OD1 3.23Å; I394-N445 WeakPolarHBondContact CA-OD1 3.08Å; I394-N445 VanDerWaalsContact CB-OD1 3.25Å; I394-N445 WeakPolarHBondContact CB-OD1 3.41Å; I394-N445 HydrophobicContact CG2-CB 4.28Å; I395-N445 PolarHBondContact N-OD1 2.94Å; I395-N445 PolarHBondContact O-ND2 2.91Å; L420-N445 HydrophobicContact CD2-CB 4.14Å; L420-N445 WeakPolarHBondContact CD2-O 3.05Å; T441-N445 WeakPolarHBondContact O-CB 3.36Å; T441-N445 PolarHBondContact O-N 3.29Å; T441-N445 VanDerWaalsContact O-N 3.09Å; T441-N445 PolarHBondContact O-ND2 3.26Å; V442-N445 PolarHBondContact O-N 3.13Å |
| 446 | T | 95.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -125.4 | -176.2 | -176.7 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | Y412 L420 V442 A443 F448 C449 | Y412-T446 HydrophobicContact CE1-CG2 3.66Å; Y412-T446 VanDerWaalsContact OH-CG2 3.3Å; Y412-T446 WeakPolarHBondContact OH-CG2 3.42Å; L420-T446 HydrophobicContact CD2-CG2 4.22Å; V442-T446 HydrophobicContact CG1-CG2 4.25Å; V442-T446 WeakPolarHBondContact O-CB 3.23Å; V442-T446 WeakPolarHBondContact O-CG2 3.33Å; V442-T446 PolarHBondContact O-N 3.35Å; V442-T446 PolarHBondContact O-OG1 3.13Å; A443-T446 PolarHBondContact O-OG1 3.22Å; T446-F448 PolarHBondContact O-N 3.38Å; T446-F448 WeakPolarHBondContact OG1-CD2 3.46Å; T446-C449 PolarHBondContact O-N 3.01Å; T446-C449 PolarHBondContact O-SG 3.16Å |
| 447 | H | 93.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 13 Ų | 13 | 47% | 0.472 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -7.6 | 175.6 | 53.8 | -90.7 | 0 | 0 | 0 | 113.5 | Y412 | Y412-H447 AromaticContact CD2-CE1 3.5Å; Y412-H447 AromaticContact CE2-CE1 3.5Å |
| 448 | F | 96.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.5 | 175.7 | -65.9 | -73.3 | 0 | 0 | 0 | 115 | I353 I408 F409 Y412 A443 T446 T450 S451 | I353-F448 HydrophobicContact CD1-CB 3.65Å; I353-F448 HydrophobicContact CD1-CD1 3.95Å; I353-F448 HydrophobicContact CD1-CG 3.96Å; I408-F448 HydrophobicContact CG1-CE1 4.08Å; I408-F448 HydrophobicContact CG1-CZ 4.17Å; I408-F448 HydrophobicContact CG2-CE1 4.03Å; F409-F448 HydrophobicContact CB-CD1 4.39Å; F409-F448 HydrophobicContact CB-CE1 4.16Å; F409-F448 HydrophobicContact CB-CZ 4.34Å; F409-F448 HydrophobicContact CD2-CB 4.24Å; F409-F448 HydrophobicContact CD2-CD1 4.12Å; F409-F448 AromaticContact CD2-CD2 3.56Å; F409-F448 HydrophobicContact CD2-CD2 3.56Å; F409-F448 HydrophobicContact CD2-CE1 4.39Å; F409-F448 AromaticContact CD2-CE2 3.86Å; F409-F448 HydrophobicContact CD2-CE2 3.86Å; F409-F448 AromaticContact CD2-CG 3.7Å; F409-F448 HydrophobicContact CD2-CG 3.7Å; F409-F448 HydrophobicContact CD2-CZ 4.26Å; F409-F448 HydrophobicContact CE2-CD2 4.06Å; F409-F448 HydrophobicContact CE2-CG 4.33Å; Y412-F448 HydrophobicContact CD1-CD2 4.35Å; Y412-F448 AromaticContact CD1-CE2 3.83Å; Y412-F448 HydrophobicContact CD1-CE2 3.83Å; Y412-F448 HydrophobicContact CD2-CE2 4.07Å; Y412-F448 HydrophobicContact CG-CD2 4.45Å; Y412-F448 AromaticContact CG-CE2 3.53Å; Y412-F448 HydrophobicContact CG-CE2 3.53Å; Y412-F448 HydrophobicContact CG-CZ 4.32Å; A443-F448 CarbonylContact O-C 3.43Å; T446-F448 PolarHBondContact O-N 3.38Å; T446-F448 WeakPolarHBondContact OG1-CD2 3.46Å; F448-T450 PolarHBondContact O-N 2.89Å; F448-S451 WeakPolarHBondContact O-CA 3.29Å; F448-S451 WeakPolarHBondContact O-CB 3.49Å; F448-S451 PolarHBondContact O-N 3.36Å |
| 449 | C | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.8 | -172.5 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | C101 A443 Q444 T446 S451 | C101-C449 HydrophobicContact CB-CB 3.65Å; C101-C449 WeakPolarHBondContact CB-SG 3.29Å; C101-C449 WeakPolarHBondContact SG-CB 3.41Å; C101-C449 CovalentContact SG-SG 2.03Å; C101-C449 PolarHBondContact SG-SG 2.75Å; A443-C449 VanDerWaalsContact O-CA 3.26Å; A443-C449 WeakPolarHBondContact O-CA 3.33Å; A443-C449 PolarHBondContact O-N 3.11Å; Q444-C449 VanDerWaalsContact O-CB 3.25Å; Q444-C449 WeakPolarHBondContact O-CB 3.25Å; T446-C449 PolarHBondContact O-N 3.01Å; T446-C449 PolarHBondContact O-SG 3.16Å; C449-S451 VanDerWaalsContact C-N 3.34Å |
| 450 | T | 94.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 14.6 Ų | 14.6 | 25% | 0.252 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.7 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | I103 W212 P214 F448 | I103-T450 HydrophobicContact CD1-CG2 3.64Å; I103-T450 HydrophobicContact CG1-CG2 4.12Å; I103-T450 HydrophobicContact CG2-CG2 4.3Å; W212-T450 HydrophobicContact CE3-CG2 4.27Å; W212-T450 HydrophobicContact CZ3-CG2 4.4Å; P214-T450 WeakPolarHBondContact CG-O 3.44Å; F448-T450 PolarHBondContact O-N 2.89Å |
| 451 | S | 96.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 14% | 0.14 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -6.8 | 178.4 | -72.5 | 0 | 0 | 0 | 0 | 113.6 | D351 K352 I353 F448 C449 I453 | D351-S451 WeakPolarHBondContact O-CB 3.47Å; D351-S451 PolarHBondContact O-OG 3.33Å; K352-S451 WeakPolarHBondContact CA-O 3.34Å; I353-S451 PolarHBondContact N-O 2.92Å; F448-S451 WeakPolarHBondContact O-CA 3.29Å; F448-S451 WeakPolarHBondContact O-CB 3.49Å; F448-S451 PolarHBondContact O-N 3.36Å; C449-S451 VanDerWaalsContact C-N 3.34Å; S451-I453 PolarHBondContact O-N 3.11Å |
| 452 | V | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 112 | -177 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | H213 P214 I353 L355 A443 | H213-V452 PolarHBondContact ND1-O 3.36Å; P214-V452 WeakPolarHBondContact CD-O 2.76Å; I353-V452 CarbonylContact O-C 3.52Å; I353-V452 WeakPolarHBondContact O-CA 2.89Å; L355-V452 HydrophobicContact CB-CG1 4.15Å; A443-V452 HydrophobicContact CB-CG2 3.59Å |
| 453 | I | 95.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.3 | 168.7 | -58.2 | -66.2 | 0 | 0 | 0 | 108.6 | P214 P216 K352 I353 F354 L355 S451 H455 | P214-I453 HydrophobicContact CB-CD1 4.37Å; P214-I453 HydrophobicContact CG-CD1 3.72Å; P214-I453 WeakPolarHBondContact O-CD1 3.28Å; P216-I453 HydrophobicContact CB-CD1 3.93Å; P216-I453 HydrophobicContact CB-CG1 4.48Å; P216-I453 HydrophobicContact CB-CG2 4.34Å; P216-I453 HydrophobicContact CG-CD1 4.43Å; P216-I453 HydrophobicContact CG-CG2 4.16Å; K352-I453 HydrophobicContact CB-CG1 3.77Å; K352-I453 HydrophobicContact CD-CD1 4.34Å; K352-I453 HydrophobicContact CD-CG1 4.4Å; K352-I453 HydrophobicContact CG-CD1 4.34Å; K352-I453 HydrophobicContact CG-CG1 4.12Å; I353-I453 PolarHBondContact O-N 2.87Å; F354-I453 HydrophobicContact CD1-CB 3.79Å; F354-I453 HydrophobicContact CD1-CG1 4.26Å; F354-I453 HydrophobicContact CD1-CG2 3.79Å; F354-I453 HydrophobicContact CE1-CB 3.98Å; F354-I453 HydrophobicContact CE1-CG1 3.98Å; F354-I453 HydrophobicContact CE1-CG2 3.89Å; F354-I453 HydrophobicContact CG-CB 4.48Å; F354-I453 HydrophobicContact CZ-CG1 4.44Å; L355-I453 PolarHBondContact N-O 3.09Å; L355-I453 VanDerWaalsContact N-O 3.11Å; S451-I453 PolarHBondContact O-N 3.11Å; I453-H455 HydrophobicContact CG2-CB 4.04Å; I453-H455 PolarHBondContact O-N 2.75Å |
| 454 | N | 94.1 | Very high | 88.8 | Confident | 41 Ų | 41 | 28.8 Ų | 28.8 | 22% | 0.219 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.9 | 57.6 | 179.7 | -169.8 | 8.7 | 0 | 0 | 0 | 113 | H213 L355 R356 S357 | H213-N454 HydrophobicContact CB-CB 4.19Å; L355-N454 WeakPolarHBondContact O-CA 3.45Å; R356-N454 WeakPolarHBondContact CA-OD1 3.32Å; R356-N454 VanDerWaalsContact CD-O 3.28Å; R356-N454 WeakPolarHBondContact CD-O 3.44Å; R356-N454 WeakPolarHBondContact CD-OD1 3.42Å; R356-N454 PolarHBondContact NH1-O 3.37Å; S357-N454 PolarHBondContact N-OD1 3.44Å |
| 455 | H | 91.8 | Very high | 87.4 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | trans | -161.3 | 142.8 | -178.5 | -160.6 | -87.5 | 0 | 0 | 0 | 109.3 | F354 L355 I453 L457 N502 Y503 | F354-H455 CarbonylContact C-O 3.59Å; F354-H455 WeakPolarHBondContact CA-O 3.4Å; F354-H455 WeakPolarHBondContact CB-O 3.45Å; L355-H455 PolarHBondContact N-O 2.57Å; I453-H455 HydrophobicContact CG2-CB 4.04Å; I453-H455 PolarHBondContact O-N 2.75Å; H455-L457 PolarHBondContact CE1-N 2.82Å; H455-L457 WeakPolarHBondContact ND1-CA 3.44Å; H455-L457 WeakPolarHBondContact ND1-CD2 3.42Å; H455-L457 PolarHBondContact ND1-N 3.01Å; H455-N502 PolarHBondContact CE1-O 3.3Å; H455-N502 VanDerWaalsContact CE1-O 3.29Å; H455-Y503 AromaticContact CE1-CD1 3.57Å; H455-Y503 AromaticContact CE1-CE1 3.47Å; H455-Y503 VanDerWaalsContact CE1-CE1 3.47Å; H455-Y503 WeakPolarHBondContact CE1-CE1 3.49Å; H455-Y503 AromaticContact NE2-CD1 3.84Å; H455-Y503 AromaticContact NE2-CE1 3.29Å; H455-Y503 VanDerWaalsContact NE2-CE1 3.29Å; H455-Y503 WeakPolarHBondContact NE2-CE1 3.28Å; H455-Y503 AromaticContact NE2-CZ 3.74Å | ||
| 456 | Y | 89.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | trans | -107 | 3 | 178.3 | 44 | -130.7 | 0 | 0 | 0 | 114.7 | R356 S400 W402 R458 I460 | R356-Y456 HydrophobicContact CB-CD1 3.1Å; R356-Y456 HydrophobicContact CB-CE1 3.38Å; R356-Y456 HydrophobicContact CB-CG 3.89Å; R356-Y456 HydrophobicContact CG-CD1 3.88Å; R356-Y456 HydrophobicContact CG-CE1 3.59Å; S400-Y456 WeakPolarHBondContact OG-CD1 3.06Å; S400-Y456 WeakPolarHBondContact OG-CE1 3.25Å; W402-Y456 HydrophobicContact CB-CD1 4.24Å; W402-Y456 HydrophobicContact CB-CG 4.16Å; W402-Y456 HydrophobicContact CE3-CD1 4.12Å; W402-Y456 AromaticContact CE3-CE1 3.94Å; W402-Y456 HydrophobicContact CE3-CE1 3.94Å; W402-Y456 HydrophobicContact CZ3-CE1 4.46Å; W402-Y456 WeakPolarHBondContact O-CB 3.23Å; Y456-R458 HydrophobicContact CD2-CB 3.71Å; Y456-R458 HydrophobicContact CD2-CG 4.28Å; Y456-R458 WeakPolarHBondContact CD2-O 3.39Å; Y456-R458 HydrophobicContact CE2-CB 4.1Å; Y456-R458 WeakPolarHBondContact CE2-O 3.33Å; Y456-R458 PolarHBondContact O-N 2.9Å; Y456-R458 VanDerWaalsContact O-N 3.13Å; Y456-I460 HydrophobicContact CE2-CG1 3.81Å | ||
| 457 | L | 92.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 62.2 | 15.1 | 178.9 | -55 | -174.6 | 0 | 0 | 0 | 115.5 | L342 Y345 L346 F354 I404 H455 N502 Y504 L505 | L342-L457 HydrophobicContact CD1-CD1 4.03Å; Y345-L457 HydrophobicContact CD1-CD1 3.78Å; Y345-L457 HydrophobicContact CD1-CD2 4.25Å; Y345-L457 HydrophobicContact CE1-CD1 3.71Å; Y345-L457 HydrophobicContact CE1-CD2 3.53Å; Y345-L457 HydrophobicContact CE1-CG 4.3Å; L346-L457 HydrophobicContact CD2-CD1 4.1Å; F354-L457 HydrophobicContact CD1-CD1 4.16Å; F354-L457 HydrophobicContact CD1-CD2 4.23Å; F354-L457 HydrophobicContact CD1-CG 4.03Å; F354-L457 HydrophobicContact CE1-CD1 4.24Å; F354-L457 HydrophobicContact CE1-CD2 4.34Å; F354-L457 HydrophobicContact CE1-CG 4.43Å; F354-L457 HydrophobicContact CG-CD1 4.44Å; F354-L457 HydrophobicContact CG-CG 4.49Å; I404-L457 HydrophobicContact CD1-CB 3.94Å; I404-L457 HydrophobicContact CD1-CD1 3.53Å; I404-L457 HydrophobicContact CD1-CG 3.93Å; H455-L457 PolarHBondContact CE1-N 2.82Å; H455-L457 WeakPolarHBondContact ND1-CA 3.44Å; H455-L457 WeakPolarHBondContact ND1-CD2 3.42Å; H455-L457 PolarHBondContact ND1-N 3.01Å; L457-N502 HydrophobicContact CD2-CB 4.11Å; L457-N502 WeakPolarHBondContact CD2-O 3.45Å; L457-Y504 HydrophobicContact CB-CD2 4.05Å; L457-Y504 HydrophobicContact CD1-CD2 4.23Å; L457-Y504 HydrophobicContact CD1-CE2 4.44Å; L457-Y504 HydrophobicContact CD2-CD2 4.21Å; L457-Y504 HydrophobicContact CD2-CE2 4.16Å; L457-Y504 HydrophobicContact CG-CD2 4.39Å; L457-Y504 PolarHBondContact O-N 2.85Å; L457-L505 PolarHBondContact O-N 2.94Å |
| 458 | R | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.8 | 175.8 | -54.3 | -166 | 161.2 | 78.1 | 20.8 | 111.3 | N328 D333 Y456 I460 Y503 L505 | N328-R458 PolarHBondContact O-NH2 3.44Å; D333-R458 IonicContact OD1-NE 3.62Å; D333-R458 PolarHBondContact OD1-NE 2.84Å; Y456-R458 HydrophobicContact CD2-CB 3.71Å; Y456-R458 HydrophobicContact CD2-CG 4.28Å; Y456-R458 WeakPolarHBondContact CD2-O 3.39Å; Y456-R458 HydrophobicContact CE2-CB 4.1Å; Y456-R458 WeakPolarHBondContact CE2-O 3.33Å; Y456-R458 PolarHBondContact O-N 2.9Å; Y456-R458 VanDerWaalsContact O-N 3.13Å; R458-I460 HydrophobicContact CB-CD1 3.76Å; R458-I460 HydrophobicContact CB-CG1 4.29Å; R458-Y503 WeakPolarHBondContact O-CD1 3.01Å; R458-Y503 WeakPolarHBondContact O-CE1 3.45Å; R458-L505 CarbonylContact C-O 3.5Å; R458-L505 VanDerWaalsContact CA-O 3.29Å; R458-L505 WeakPolarHBondContact CA-O 3.39Å; R458-L505 HydrophobicContact CB-CB 4.43Å; R458-L505 HydrophobicContact CG-CB 4Å; R458-L505 HydrophobicContact CG-CD1 4.12Å |
| 459 | F | 83.1 | Confident | 81.6 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.1 | 167.2 | 171.8 | -113.3 | 0 | 0 | 0 | 108.9 | I336 L486 L494 L495 L498 Y503 L505 E506 N507 | I336-F459 HydrophobicContact CD1-CB 4.12Å; F459-L486 HydrophobicContact CE1-CD1 3.97Å; F459-L486 HydrophobicContact CE1-CD2 3.8Å; F459-L486 HydrophobicContact CE1-CG 4.4Å; F459-L486 HydrophobicContact CZ-CD2 4.16Å; F459-L494 HydrophobicContact CE2-CB 4.3Å; F459-L494 HydrophobicContact CZ-CB 3.67Å; F459-L494 HydrophobicContact CZ-CD1 4.29Å; F459-L495 HydrophobicContact CD1-CD2 4.12Å; F459-L495 HydrophobicContact CE1-CD2 3.77Å; F459-L498 HydrophobicContact CB-CD2 3.99Å; F459-L498 HydrophobicContact CD1-CD1 4.14Å; F459-L498 HydrophobicContact CD1-CD2 4.4Å; F459-L498 HydrophobicContact CD2-CD2 3.36Å; F459-L498 HydrophobicContact CD2-CG 4.41Å; F459-L498 HydrophobicContact CE2-CD2 3.87Å; F459-L498 HydrophobicContact CG-CD1 4.13Å; F459-L498 HydrophobicContact CG-CD2 3.65Å; F459-L498 HydrophobicContact CG-CG 4.49Å; F459-Y503 HydrophobicContact CB-CD1 4.25Å; F459-Y503 HydrophobicContact CB-CG 4.04Å; F459-L505 PolarHBondContact N-O 2.93Å; F459-E506 HydrophobicContact CD1-CG 4.27Å; F459-E506 WeakPolarHBondContact O-CA 3.2Å; F459-N507 PolarHBondContact O-N 2.78Å |
| 460 | I | 79.8 | Confident | 80.2 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.6 | -173.4 | -46.3 | -68.2 | 0 | 0 | 0 | 109.4 | W402 Y456 R458 W462 P483 N507 | W402-I460 HydrophobicContact CD2-CD1 3.99Å; W402-I460 HydrophobicContact CE3-CD1 3.82Å; W402-I460 HydrophobicContact CE3-CG1 4.02Å; W402-I460 HydrophobicContact CH2-CD1 3.81Å; W402-I460 HydrophobicContact CH2-CG1 4.18Å; W402-I460 HydrophobicContact CH2-CG2 3.9Å; W402-I460 HydrophobicContact CZ2-CD1 3.86Å; W402-I460 HydrophobicContact CZ3-CD1 3.77Å; W402-I460 HydrophobicContact CZ3-CG1 3.79Å; W402-I460 HydrophobicContact CZ3-CG2 4.13Å; Y456-I460 HydrophobicContact CE2-CG1 3.81Å; R458-I460 HydrophobicContact CB-CD1 3.76Å; R458-I460 HydrophobicContact CB-CG1 4.29Å; I460-W462 HydrophobicContact CG2-CD2 4.12Å; I460-W462 VanDerWaalsContact CG2-CE2 3.48Å; I460-W462 HydrophobicContact CG2-CG 4.25Å; I460-W462 HydrophobicContact CG2-CZ2 3.95Å; I460-W462 PolarHBondContact O-N 3.43Å; I460-P483 HydrophobicContact CG2-CB 3.52Å; I460-P483 HydrophobicContact CG2-CG 3.35Å; I460-N507 HydrophobicContact CD1-CB 3.38Å |
| 461 | N | 76.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | trans | -86.4 | 102.4 | 175.2 | -177.9 | 12 | 0 | 0 | 0 | 111.3 | K463 L484 L486 | N461-K463 WeakPolarHBondContact OD1-CB 3.42Å; N461-K463 PolarHBondContact OD1-N 2.88Å; N461-L484 WeakPolarHBondContact CB-O 3.08Å; N461-L484 PolarHBondContact O-N 3.37Å; N461-L486 HydrophobicContact CB-CD2 3.76Å | ||
| 462 | W | 76.5 | Confident | 76.5 | Confident | 101 Ų | 101 | 63.1 Ų | 63.1 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | trans | -98.4 | 8.1 | 175.4 | -67.3 | 107.9 | 0 | 0 | 0 | 114 | W402 I460 R464 C481 S482 P483 | W402-W462 HydrophobicContact CH2-CH2 4.25Å; W402-W462 AromaticContact CH2-CZ2 3.67Å; W402-W462 HydrophobicContact CH2-CZ2 3.67Å; W402-W462 AromaticContact CZ3-CZ2 3.74Å; W402-W462 HydrophobicContact CZ3-CZ2 3.74Å; I460-W462 HydrophobicContact CG2-CD2 4.12Å; I460-W462 VanDerWaalsContact CG2-CE2 3.48Å; I460-W462 HydrophobicContact CG2-CG 4.25Å; I460-W462 HydrophobicContact CG2-CZ2 3.95Å; I460-W462 PolarHBondContact O-N 3.43Å; W462-R464 VanDerWaalsContact C-N 3.3Å; W462-R464 PolarHBondContact O-N 2.82Å; W462-C481 HydrophobicContact CZ3-CB 4.09Å; W462-S482 WeakPolarHBondContact CZ3-O 3.33Å; W462-P483 HydrophobicContact CH2-CG 3.95Å; W462-P483 HydrophobicContact CZ2-CG 4.03Å; W462-P483 HydrophobicContact CZ3-CG 4.29Å | ||
| 463 | K | 71.9 | Confident | 74.6 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | trans | -71.6 | 78.7 | -177.3 | -75.7 | -170.1 | 174.1 | 163.8 | 0 | 112.1 | N461 P465 L484 L494 | N461-K463 WeakPolarHBondContact OD1-CB 3.42Å; N461-K463 PolarHBondContact OD1-N 2.88Å; K463-P465 WeakPolarHBondContact O-CD 3.35Å; K463-L484 WeakPolarHBondContact O-CD1 3.5Å; K463-L494 HydrophobicContact CD-CD1 4.1Å; K463-L494 HydrophobicContact CD-CD2 4.27Å; K463-L494 VanDerWaalsContact NZ-CD2 3.28Å | ||
| 464 | R | 67.6 | Low | 73 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 28% | 0.275 | 38% | 0.384 | S | S | . | . | trans | -102.2 | 100.7 | 176.1 | -71.5 | 178.2 | 168.1 | -135.5 | -7.6 | 110.8 | W462 Q466 G467 S482 P483 L484 | W462-R464 VanDerWaalsContact C-N 3.3Å; W462-R464 PolarHBondContact O-N 2.82Å; R464-Q466 PolarHBondContact O-N 3.37Å; R464-Q466 VanDerWaalsContact O-N 3.16Å; R464-G467 PolarHBondContact O-N 3.03Å; R464-S482 PolarHBondContact NE-O 3.25Å; R464-S482 PolarHBondContact NH2-O 3.02Å; R464-P483 PolarHBondContact NH2-O 2.93Å; R464-L484 HydrophobicContact CB-CD1 4.48Å; R464-L484 HydrophobicContact CG-CD1 3.61Å; R464-L484 HydrophobicContact CG-CD2 4.04Å; R464-L484 HydrophobicContact CG-CG 3.66Å | ||
| 465 | P | 65.5 | Low | 71.5 | Confident | 135 Ų | 135 | 75.6 Ų | 75.6 | 88% | 0.877 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.4 | -179.7 | -23.7 | 33.3 | 0 | 0 | 0 | 113.8 | K463 | K463-P465 WeakPolarHBondContact O-CD 3.35Š|
| 466 | Q | 64.1 | Low | 70.7 | Confident | 188 Ų | 188 | 77.4 Ų | 77.4 | 88% | 0.879 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.3 | 179.3 | -59.4 | -174.4 | 10.3 | 0 | 0 | 113.7 | R464 | R464-Q466 PolarHBondContact O-N 3.37Å; R464-Q466 VanDerWaalsContact O-N 3.16Å |
| 467 | G | 68.5 | Low | 70.4 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -155.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R464 | R464-G467 PolarHBondContact O-N 3.03Š|
| 468 | C | 67.6 | Low | 70 | Confident | 55 Ų | 55 | 79.6 Ų | 79.6 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.8 | -177.3 | -54.9 | 0 | 0 | 0 | 0 | 115.1 | C470 C481 | C468-C470 VanDerWaalsContact C-N 3.31Å; C468-C470 PolarHBondContact O-N 3.15Å; C468-C481 HydrophobicContact CB-CB 3.97Å; C468-C481 WeakPolarHBondContact CB-SG 3.2Å; C468-C481 WeakPolarHBondContact SG-CB 3.36Å; C468-C481 CovalentContact SG-SG 2Å; C468-C481 PolarHBondContact SG-SG 3.5Å |
| 469 | G | 57.5 | Low | 69.6 | Low | 62 Ų | 62 | 81.3 Ų | 81.3 | 64% | 0.639 | 44% | 0.444 | S | S | * | . | trans | 63.6 | 25.4 | 172 | 0 | 0 | 0 | 0 | 0 | 116.1 | K471 | G469-K471 PolarHBondContact O-N 3.15Å; G469-K471 VanDerWaalsContact O-N 3.09Å | ||
| 470 | C | 65.8 | Low | 69.3 | Low | 47 Ų | 47 | 81.9 Ų | 81.9 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | trans | -60.3 | 113.1 | 179 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | C468 Y472 C479 | C468-C470 VanDerWaalsContact C-N 3.31Å; C468-C470 PolarHBondContact O-N 3.15Å; C470-Y472 HydrophobicContact CB-CD2 4.29Å; C470-Y472 HydrophobicContact CB-CE2 3.86Å; C470-Y472 PolarHBondContact O-N 2.89Å; C470-C479 HydrophobicContact CB-CB 3.72Å; C470-C479 WeakPolarHBondContact CB-SG 3.24Å; C470-C479 WeakPolarHBondContact SG-CB 3.44Å; C470-C479 CovalentContact SG-SG 2.03Å; C470-C479 PolarHBondContact SG-SG 2.81Å | ||
| 471 | K | 55.7 | Low | 69.1 | Low | 189 Ų | 189 | 83.1 Ų | 83.1 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | trans | -94.6 | 86.9 | 168.2 | -67.3 | -171.6 | -179.5 | -177.1 | 0 | 108.7 | G469 G473 | G469-K471 PolarHBondContact O-N 3.15Å; G469-K471 VanDerWaalsContact O-N 3.09Å; K471-G473 PolarHBondContact O-N 2.71Å; K471-G473 VanDerWaalsContact O-N 3.13Å | ||
| 472 | Y | 57.2 | Low | 69 | Low | 177 Ų | 177 | 85.6 Ų | 85.6 | 69% | 0.694 | 48% | 0.482 | S | S | * | . | trans | -60.5 | 116.6 | 169.9 | -64.8 | -77.5 | 0 | 0 | 0 | 108.6 | C470 C479 | C470-Y472 HydrophobicContact CB-CD2 4.29Å; C470-Y472 HydrophobicContact CB-CE2 3.86Å; C470-Y472 PolarHBondContact O-N 2.89Å; Y472-C479 PolarHBondContact OH-SG 2.95Å; Y472-C479 VanDerWaalsContact OH-SG 3.39Å | ||
| 473 | G | 57.3 | Low | 69 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 46% | 0.464 | 47% | 0.467 | S | S | . | . | trans | -149.1 | 169.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K471 M475 V476 | K471-G473 PolarHBondContact O-N 2.71Å; K471-G473 VanDerWaalsContact O-N 3.13Å; G473-M475 PolarHBondContact O-N 3.08Å; G473-V476 PolarHBondContact O-N 2.9Å; G473-V476 VanDerWaalsContact O-N 3.16Å | ||
| 474 | S | 62 | Low | 68.8 | Low | 109 Ų | 109 | 78.3 Ų | 78.3 | 76% | 0.762 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.2 | -176.2 | 52.5 | 0 | 0 | 0 | 0 | 115 | ||
| 475 | M | 64.4 | Low | 68.8 | Low | 154 Ų | 154 | 76.6 Ų | 76.6 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -15.6 | -178.2 | -64.2 | -172 | -76 | 0 | 0 | 114.2 | R73 G473 | R73-M475 PolarHBondContact NH1-O 2.85Å; G473-M475 PolarHBondContact O-N 3.08Å |
| 476 | V | 74 | Confident | 68.6 | Low | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.436 | 42% | 0.415 | S | S | . | . | trans | -120.4 | 116.6 | -172.1 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | G473 W478 | G473-V476 PolarHBondContact O-N 2.9Å; G473-V476 VanDerWaalsContact O-N 3.16Å; V476-W478 WeakPolarHBondContact CG1-O 3.42Å | ||
| 477 | D | 83.6 | Confident | 68.1 | Low | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -80.3 | -28.6 | -175.8 | -70.6 | -94.2 | 0 | 0 | 0 | 113.6 | R73 Y381 H384 | R73-D477 IonicContact CZ-OD1 2.7Å; R73-D477 IonicContact CZ-OD2 3.58Å; R73-D477 VanDerWaalsContact CZ-OD2 3.25Å; R73-D477 IonicContact NH1-OD2 3.3Å; R73-D477 PolarHBondContact NH1-OD2 3.42Å; R73-D477 IonicContact NH2-OD1 3.41Å; R73-D477 PolarHBondContact NH2-OD1 2.85Å; R73-D477 IonicContact NH2-OD2 2.89Å; R73-D477 PolarHBondContact NH2-OD2 2.95Å; Y381-D477 HydrophobicContact CE1-CB 4.24Å; Y381-D477 VanDerWaalsContact CE1-OD2 3.22Å; Y381-D477 WeakPolarHBondContact CE1-OD2 3.22Å; Y381-D477 PolarHBondContact OH-OD2 2.9Å; H384-D477 HydrophobicContact CB-CB 3.87Å; H384-D477 WeakPolarHBondContact CB-OD1 3.3Å; H384-D477 PolarHBondContact N-OD1 3.2Å; H384-D477 VanDerWaalsContact N-OD1 3.08Å |
| 478 | W | 84.1 | Confident | 67.2 | Low | 45 Ų | 45 | 66.3 Ų | 66.3 | 17% | 0.17 | 40% | 0.396 | C | S | . | . | trans | -155.1 | 162.7 | -178.7 | 67.5 | -79 | 0 | 0 | 0 | 110.5 | W298 F375 L432 L433 V476 | W298-W478 HydrophobicContact CD2-CH2 4.22Å; W298-W478 HydrophobicContact CD2-CZ3 4.48Å; W298-W478 AromaticContact CE3-CH2 3.71Å; W298-W478 HydrophobicContact CE3-CH2 3.71Å; W298-W478 AromaticContact CE3-CZ3 3.99Å; W298-W478 HydrophobicContact CE3-CZ3 3.99Å; W298-W478 HydrophobicContact CZ3-CH2 4.24Å; W298-W478 HydrophobicContact CZ3-CZ3 4.11Å; W298-W478 WeakPolarHBondContact O-CH2 3.43Å; W298-W478 WeakPolarHBondContact O-CZ2 3.38Å; F375-W478 HydrophobicContact CE1-CB 3.92Å; F375-W478 HydrophobicContact CZ-CB 4.43Å; L432-W478 HydrophobicContact CD1-CB 3.86Å; L432-W478 HydrophobicContact CD1-CD2 3.73Å; L432-W478 HydrophobicContact CD1-CE3 3.71Å; L432-W478 HydrophobicContact CD1-CG 3.8Å; L432-W478 HydrophobicContact CD1-CZ3 4.48Å; L432-W478 HydrophobicContact CD2-CB 4.12Å; L433-W478 HydrophobicContact CD2-CZ3 4.3Å; V476-W478 WeakPolarHBondContact CG1-O 3.42Å | ||
| 479 | C | 79.2 | Confident | 66.3 | Low | 36 Ų | 36 | 67 Ų | 67 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | trans | -136.6 | 155.6 | 174.4 | 75.7 | 0 | 0 | 0 | 0 | 110.6 | C470 Y472 | C470-C479 HydrophobicContact CB-CB 3.72Å; C470-C479 WeakPolarHBondContact CB-SG 3.24Å; C470-C479 WeakPolarHBondContact SG-CB 3.44Å; C470-C479 CovalentContact SG-SG 2.03Å; C470-C479 PolarHBondContact SG-SG 2.81Å; Y472-C479 PolarHBondContact OH-SG 2.95Å; Y472-C479 VanDerWaalsContact OH-SG 3.39Å | ||
| 480 | G | 76.7 | Confident | 66.1 | Low | 30 Ų | 30 | 72.3 Ų | 72.3 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | trans | -139.2 | 167.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 481 | C | 76 | Confident | 65.7 | Low | 43 Ų | 43 | 71.3 Ų | 71.3 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | trans | -116.5 | 136.8 | 174.8 | -46.6 | 0 | 0 | 0 | 0 | 110.2 | W298 W462 C468 | W298-C481 WeakPolarHBondContact CH2-O 3.39Å; W462-C481 HydrophobicContact CZ3-CB 4.09Å; C468-C481 HydrophobicContact CB-CB 3.97Å; C468-C481 WeakPolarHBondContact CB-SG 3.2Å; C468-C481 WeakPolarHBondContact SG-CB 3.36Å; C468-C481 CovalentContact SG-SG 2Å; C468-C481 PolarHBondContact SG-SG 3.5Å | ||
| 482 | S | 74.8 | Confident | 65.8 | Low | 56 Ų | 56 | 63.7 Ų | 63.7 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | trans | -100 | 164.6 | 165.2 | -47 | 0 | 0 | 0 | 0 | 109.9 | W462 R464 | W462-S482 WeakPolarHBondContact CZ3-O 3.33Å; R464-S482 PolarHBondContact NE-O 3.25Å; R464-S482 PolarHBondContact NH2-O 3.02Å | ||
| 483 | P | 75.6 | Confident | 65.8 | Low | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.071 | 37% | 0.365 | C | S | . | . | trans | -63.5 | -177.3 | 166.2 | -24.3 | 32.5 | 0 | 0 | 0 | 113 | W402 I460 W462 R464 I508 | W402-P483 HydrophobicContact CH2-CG 3.59Å; W402-P483 HydrophobicContact CZ2-CG 3.91Å; I460-P483 HydrophobicContact CG2-CB 3.52Å; I460-P483 HydrophobicContact CG2-CG 3.35Å; W462-P483 HydrophobicContact CH2-CG 3.95Å; W462-P483 HydrophobicContact CZ2-CG 4.03Å; W462-P483 HydrophobicContact CZ3-CG 4.29Å; R464-P483 PolarHBondContact NH2-O 2.93Å; P483-I508 HydrophobicContact CB-CB 4.42Å; P483-I508 HydrophobicContact CB-CD1 3.62Å; P483-I508 HydrophobicContact CB-CG1 3.88Å; P483-I508 HydrophobicContact CG-CD1 3.97Å; P483-I508 HydrophobicContact CG-CG1 4.2Å; P483-I508 WeakPolarHBondContact O-CD1 3.37Å | ||
| 484 | L | 68.3 | Low | 66.1 | Low | 58 Ų | 58 | 60.9 Ų | 60.9 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | trans | -114.5 | 152.1 | 168.9 | -67.3 | -178.7 | 0 | 0 | 0 | 111 | N461 K463 R464 | N461-L484 WeakPolarHBondContact CB-O 3.08Å; N461-L484 PolarHBondContact O-N 3.37Å; K463-L484 WeakPolarHBondContact O-CD1 3.5Å; R464-L484 HydrophobicContact CB-CD1 4.48Å; R464-L484 HydrophobicContact CG-CD1 3.61Å; R464-L484 HydrophobicContact CG-CD2 4.04Å; R464-L484 HydrophobicContact CG-CG 3.66Å | ||
| 485 | T | 66.8 | Low | 66 | Low | 36 Ų | 36 | 58.8 Ų | 58.8 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | trans | -63.7 | 138.5 | 163.5 | -55 | 0 | 0 | 0 | 0 | 110.3 | N487 I508 Y509 K511 | T485-N487 PolarHBondContact O-N 2.8Å; T485-N487 PolarHBondContact O-ND2 2.85Å; T485-I508 VanDerWaalsContact OG1-CG2 3.27Å; T485-I508 WeakPolarHBondContact OG1-CG2 3.3Å; T485-Y509 WeakPolarHBondContact CG2-O 3.14Å; T485-K511 HydrophobicContact CG2-CB 4.44Å | ||
| 486 | L | 61.5 | Low | 65.7 | Low | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | trans | -70.2 | 126.6 | 167.9 | -47.7 | 161.9 | 0 | 0 | 0 | 108.3 | F459 N461 D491 L494 L495 E506 S510 | F459-L486 HydrophobicContact CE1-CD1 3.97Å; F459-L486 HydrophobicContact CE1-CD2 3.8Å; F459-L486 HydrophobicContact CE1-CG 4.4Å; F459-L486 HydrophobicContact CZ-CD2 4.16Å; N461-L486 HydrophobicContact CB-CD2 3.76Å; L486-D491 WeakPolarHBondContact CA-OD2 3.37Å; L486-D491 HydrophobicContact CB-CB 3.78Å; L486-D491 HydrophobicContact CD2-CB 3.85Å; L486-D491 HydrophobicContact CG-CB 4.47Å; L486-L494 HydrophobicContact CD2-CD1 4.11Å; L486-L495 HydrophobicContact CD1-CD1 3.95Å; L486-L495 HydrophobicContact CD1-CD2 3.6Å; L486-L495 HydrophobicContact CD1-CG 3.89Å; L486-E506 VanDerWaalsContact CD1-OE1 3.22Å; L486-E506 WeakPolarHBondContact CD1-OE1 3.47Å; L486-S510 WeakPolarHBondContact CB-OG 3.36Å; L486-S510 WeakPolarHBondContact O-CB 3.41Å; L486-S510 PolarHBondContact O-OG 3.01Å | ||
| 487 | N | 53.9 | Low | 64.8 | Low | 107 Ų | 107 | 60.2 Ų | 60.2 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | trans | -126.9 | 108 | -179.5 | -68.9 | -57.1 | 0 | 0 | 0 | 110.1 | T485 D491 | T485-N487 PolarHBondContact O-N 2.8Å; T485-N487 PolarHBondContact O-ND2 2.85Å; N487-D491 PolarHBondContact N-OD2 3.35Å | ||
| 488 | G | 48.5 | Very low | 63.7 | Low | 31 Ų | 31 | 60.1 Ų | 60.1 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 76.1 | -167.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116 | K490 D491 A492 | G488-K490 PolarHBondContact O-N 2.88Å; G488-D491 PolarHBondContact O-N 2.54Å; G488-A492 PolarHBondContact O-N 3.48Å |
| 489 | P | 49.6 | Very low | 62.4 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | -165.4 | -20.5 | 30.5 | 0 | 0 | 0 | 115 | D491 A492 E493 | P489-D491 VanDerWaalsContact C-N 3.31Å; P489-D491 PolarHBondContact O-N 2.67Å; P489-A492 WeakPolarHBondContact O-CB 3.48Å; P489-A492 PolarHBondContact O-N 3.23Å; P489-E493 PolarHBondContact O-N 2.98Å |
| 490 | K | 53.4 | Low | 61.4 | Low | 173 Ų | 173 | 73.2 Ų | 73.2 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | -178.8 | -71.4 | -173.8 | 178.8 | -179.8 | 0 | 111.9 | G488 | G488-K490 PolarHBondContact O-N 2.88Å |
| 491 | D | 57.6 | Low | 60.8 | Low | 26 Ų | 26 | 75.2 Ų | 75.2 | 14% | 0.139 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -80.2 | -25.8 | 175.7 | -70.3 | -17.1 | 0 | 0 | 0 | 111.3 | L486 N487 G488 P489 E493 L494 | L486-D491 WeakPolarHBondContact CA-OD2 3.37Å; L486-D491 HydrophobicContact CB-CB 3.78Å; L486-D491 HydrophobicContact CD2-CB 3.85Å; L486-D491 HydrophobicContact CG-CB 4.47Å; N487-D491 PolarHBondContact N-OD2 3.35Å; G488-D491 PolarHBondContact O-N 2.54Å; P489-D491 VanDerWaalsContact C-N 3.31Å; P489-D491 PolarHBondContact O-N 2.67Å; D491-E493 PolarHBondContact O-N 3.36Å; D491-L494 HydrophobicContact CB-CD1 4.46Å; D491-L494 WeakPolarHBondContact O-CB 3.49Å; D491-L494 PolarHBondContact O-N 3.14Å |
| 492 | A | 56.8 | Low | 60.8 | Low | 29 Ų | 29 | 75.3 Ų | 75.3 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.7 | -28.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G488 P489 L494 L495 F496 | G488-A492 PolarHBondContact O-N 3.48Å; P489-A492 WeakPolarHBondContact O-CB 3.48Å; P489-A492 PolarHBondContact O-N 3.23Å; A492-L494 PolarHBondContact O-N 3.41Å; A492-L495 WeakPolarHBondContact O-CB 3.46Å; A492-L495 PolarHBondContact O-N 3.21Å; A492-F496 VanDerWaalsContact O-CD2 3.27Å; A492-F496 WeakPolarHBondContact O-CD2 3.44Å; A492-F496 PolarHBondContact O-N 2.82Å; A492-F496 VanDerWaalsContact O-N 3.17Å |
| 493 | E | 57.5 | Low | 61.1 | Low | 132 Ų | 132 | 75.1 Ų | 75.1 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62 | -31.2 | 170.9 | -68.2 | -175.7 | 171.6 | 0 | 0 | 112.6 | P489 D491 L495 F496 | P489-E493 PolarHBondContact O-N 2.98Å; D491-E493 PolarHBondContact O-N 3.36Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.29Å; E493-F496 PolarHBondContact O-N 2.03Å |
| 494 | L | 63.4 | Low | 61.2 | Low | 32 Ų | 32 | 74.8 Ų | 74.8 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 171.9 | -63.9 | 167.4 | 0 | 0 | 0 | 111 | F459 K463 L486 D491 A492 F496 N497 | F459-L494 HydrophobicContact CE2-CB 4.3Å; F459-L494 HydrophobicContact CZ-CB 3.67Å; F459-L494 HydrophobicContact CZ-CD1 4.29Å; K463-L494 HydrophobicContact CD-CD1 4.1Å; K463-L494 HydrophobicContact CD-CD2 4.27Å; K463-L494 VanDerWaalsContact NZ-CD2 3.28Å; L486-L494 HydrophobicContact CD2-CD1 4.11Å; D491-L494 HydrophobicContact CB-CD1 4.46Å; D491-L494 WeakPolarHBondContact O-CB 3.49Å; D491-L494 PolarHBondContact O-N 3.14Å; A492-L494 PolarHBondContact O-N 3.41Å; L494-F496 VanDerWaalsContact C-N 3.34Å; L494-F496 PolarHBondContact O-N 3.38Å; L494-N497 PolarHBondContact O-N 3.34Å |
| 495 | L | 61.1 | Low | 61.5 | Low | 64 Ų | 64 | 72.2 Ų | 72.2 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 178.5 | -62.8 | 176.2 | 0 | 0 | 0 | 112.3 | F459 L486 A492 E493 N497 L498 | F459-L495 HydrophobicContact CD1-CD2 4.12Å; F459-L495 HydrophobicContact CE1-CD2 3.77Å; L486-L495 HydrophobicContact CD1-CD1 3.95Å; L486-L495 HydrophobicContact CD1-CD2 3.6Å; L486-L495 HydrophobicContact CD1-CG 3.89Å; A492-L495 WeakPolarHBondContact O-CB 3.46Å; A492-L495 PolarHBondContact O-N 3.21Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 3.29Å; L495-N497 VanDerWaalsContact C-N 3.25Å; L495-N497 PolarHBondContact O-N 2.82Å; L495-L498 HydrophobicContact CB-CD1 4.25Å; L495-L498 HydrophobicContact CD2-CD1 3.48Å; L495-L498 VanDerWaalsContact CD2-CD1 3.48Å; L495-L498 HydrophobicContact CG-CD1 4.49Å; L495-L498 VanDerWaalsContact O-CB 3.25Å; L495-L498 WeakPolarHBondContact O-CB 3.47Å; L495-L498 WeakPolarHBondContact O-CG 3.27Å; L495-L498 PolarHBondContact O-N 3.14Å; L495-L498 VanDerWaalsContact O-N 3.16Å |
| 496 | F | 56.8 | Low | 61.7 | Low | 140 Ų | 140 | 71.3 Ų | 71.3 | 61% | 0.614 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.8 | -33.1 | 177.3 | -83.6 | -75.1 | 0 | 0 | 0 | 112.8 | A492 E493 L494 L498 | A492-F496 VanDerWaalsContact O-CD2 3.27Å; A492-F496 WeakPolarHBondContact O-CD2 3.44Å; A492-F496 PolarHBondContact O-N 2.82Å; A492-F496 VanDerWaalsContact O-N 3.17Å; E493-F496 PolarHBondContact O-N 2.03Å; L494-F496 VanDerWaalsContact C-N 3.34Å; L494-F496 PolarHBondContact O-N 3.38Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.47Å |
| 497 | N | 56.5 | Low | 61.8 | Low | 117 Ų | 117 | 71.4 Ų | 71.4 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -73.1 | -17.7 | 178.4 | -69.1 | -23.6 | 0 | 0 | 0 | 113 | L494 L495 R499 | L494-N497 PolarHBondContact O-N 3.34Å; L495-N497 VanDerWaalsContact C-N 3.25Å; L495-N497 PolarHBondContact O-N 2.82Å; N497-R499 PolarHBondContact O-N 2.75Å; N497-R499 VanDerWaalsContact O-N 3.09Å |
| 498 | L | 60.4 | Low | 61.8 | Low | 18 Ų | 18 | 67.9 Ų | 67.9 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -63.9 | -15.2 | 179.7 | -61.8 | 176.1 | 0 | 0 | 0 | 114.8 | I336 R337 F459 L495 F496 N500 D501 Y503 | I336-L498 HydrophobicContact CD1-CD1 3.97Å; R337-L498 PolarHBondContact NH2-O 3.16Å; F459-L498 HydrophobicContact CB-CD2 3.99Å; F459-L498 HydrophobicContact CD1-CD1 4.14Å; F459-L498 HydrophobicContact CD1-CD2 4.4Å; F459-L498 HydrophobicContact CD2-CD2 3.36Å; F459-L498 HydrophobicContact CD2-CG 4.41Å; F459-L498 HydrophobicContact CE2-CD2 3.87Å; F459-L498 HydrophobicContact CG-CD1 4.13Å; F459-L498 HydrophobicContact CG-CD2 3.65Å; F459-L498 HydrophobicContact CG-CG 4.49Å; L495-L498 HydrophobicContact CB-CD1 4.25Å; L495-L498 HydrophobicContact CD2-CD1 3.48Å; L495-L498 VanDerWaalsContact CD2-CD1 3.48Å; L495-L498 HydrophobicContact CG-CD1 4.49Å; L495-L498 VanDerWaalsContact O-CB 3.25Å; L495-L498 WeakPolarHBondContact O-CB 3.47Å; L495-L498 WeakPolarHBondContact O-CG 3.27Å; L495-L498 PolarHBondContact O-N 3.14Å; L495-L498 VanDerWaalsContact O-N 3.16Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.47Å; L498-N500 PolarHBondContact O-N 3.01Å; L498-N500 VanDerWaalsContact O-N 3.11Å; L498-D501 PolarHBondContact O-N 3.39Å; L498-Y503 HydrophobicContact CD2-CD2 3.31Å; L498-Y503 HydrophobicContact CD2-CE2 3.95Å; L498-Y503 HydrophobicContact CD2-CG 4.03Å |
| 499 | R | 56 | Low | 62.1 | Low | 204 Ų | 204 | 67.7 Ų | 67.7 | 77% | 0.77 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -58.8 | -26.9 | -175 | -107.7 | -176.2 | 179.5 | -150.6 | -5.7 | 113.6 | N497 | N497-R499 PolarHBondContact O-N 2.75Å; N497-R499 VanDerWaalsContact O-N 3.09Å |
| 500 | N | 57.4 | Low | 62.1 | Low | 151 Ų | 151 | 65.3 Ų | 65.3 | 81% | 0.807 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -101.6 | -9.9 | -177.2 | -70.1 | -17.4 | 0 | 0 | 0 | 114 | L498 | L498-N500 PolarHBondContact O-N 3.01Å; L498-N500 VanDerWaalsContact O-N 3.11Å |
| 501 | D | 65.6 | Low | 61.6 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -103.9 | 153 | -172.4 | -65.5 | -29.7 | 0 | 0 | 0 | 111.8 | R337 L498 Y503 | R337-D501 PolarHBondContact NH1-O 3.27Å; R337-D501 PolarHBondContact NH2-O 3.4Å; L498-D501 PolarHBondContact O-N 3.39Å; D501-Y503 HydrophobicContact CB-CD2 3.32Å; D501-Y503 HydrophobicContact CB-CE2 3.32Å; D501-Y503 HydrophobicContact CB-CG 4.35Å; D501-Y503 PolarHBondContact O-N 3.25Å |
| 502 | N | 75.4 | Confident | 61 | Low | 45 Ų | 45 | 67.4 Ų | 67.4 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | trans | -82.3 | 52.8 | -178.9 | -68 | -29.4 | 0 | 0 | 0 | 111.7 | Y345 H455 L457 Y504 | Y345-N502 HydrophobicContact CE2-CB 4.18Å; Y345-N502 WeakPolarHBondContact CE2-ND2 3.39Å; Y345-N502 PolarHBondContact OH-ND2 3.42Å; H455-N502 PolarHBondContact CE1-O 3.3Å; H455-N502 VanDerWaalsContact CE1-O 3.29Å; L457-N502 HydrophobicContact CD2-CB 4.11Å; L457-N502 WeakPolarHBondContact CD2-O 3.45Å; N502-Y504 HydrophobicContact CB-CE2 4.1Å; N502-Y504 WeakPolarHBondContact O-CD2 3.31Å | ||
| 503 | Y | 81.1 | Confident | 60.4 | Low | 53 Ų | 53 | 68.5 Ų | 68.5 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | trans | -97.5 | 127.1 | 173.9 | -60.5 | -61.9 | 0 | 0 | 0 | 110.6 | R337 H455 R458 F459 L498 D501 | R337-Y503 WeakPolarHBondContact CD-O 3.35Å; R337-Y503 PolarHBondContact NE-O 2.95Å; H455-Y503 AromaticContact CE1-CD1 3.57Å; H455-Y503 AromaticContact CE1-CE1 3.47Å; H455-Y503 VanDerWaalsContact CE1-CE1 3.47Å; H455-Y503 WeakPolarHBondContact CE1-CE1 3.49Å; H455-Y503 AromaticContact NE2-CD1 3.84Å; H455-Y503 AromaticContact NE2-CE1 3.29Å; H455-Y503 VanDerWaalsContact NE2-CE1 3.29Å; H455-Y503 WeakPolarHBondContact NE2-CE1 3.28Å; H455-Y503 AromaticContact NE2-CZ 3.74Å; R458-Y503 WeakPolarHBondContact O-CD1 3.01Å; R458-Y503 WeakPolarHBondContact O-CE1 3.45Å; F459-Y503 HydrophobicContact CB-CD1 4.25Å; F459-Y503 HydrophobicContact CB-CG 4.04Å; L498-Y503 HydrophobicContact CD2-CD2 3.31Å; L498-Y503 HydrophobicContact CD2-CE2 3.95Å; L498-Y503 HydrophobicContact CD2-CG 4.03Å; D501-Y503 HydrophobicContact CB-CD2 3.32Å; D501-Y503 HydrophobicContact CB-CE2 3.32Å; D501-Y503 HydrophobicContact CB-CG 4.35Å; D501-Y503 PolarHBondContact O-N 3.25Å | ||
| 504 | Y | 76.8 | Confident | 59.9 | Low | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | trans | -120 | -23.9 | -176.7 | -64.8 | -91.1 | 0 | 0 | 0 | 112.8 | L219 I336 R337 E341 L342 Y345 L457 N502 | L219-Y504 HydrophobicContact CD1-CE1 4.41Å; L219-Y504 VanDerWaalsContact CD1-OH 3.29Å; L219-Y504 WeakPolarHBondContact CD1-OH 3.49Å; I336-Y504 VanDerWaalsContact CG1-C 3.43Å; I336-Y504 WeakPolarHBondContact CG1-O 3.3Å; I336-Y504 PolarHBondContact N-O 2.84Å; R337-Y504 HydrophobicContact CB-CD1 4.03Å; R337-Y504 PolarHBondContact N-O 3.49Å; E341-Y504 HydrophobicContact CB-CD1 4.48Å; E341-Y504 HydrophobicContact CB-CE1 3.91Å; L342-Y504 HydrophobicContact CB-CD1 3.83Å; L342-Y504 HydrophobicContact CB-CE1 4.41Å; L342-Y504 HydrophobicContact CB-CG 4.23Å; L342-Y504 HydrophobicContact CD1-CD1 4.28Å; L342-Y504 HydrophobicContact CD1-CD2 4.13Å; L342-Y504 HydrophobicContact CD1-CG 3.89Å; Y345-Y504 VanDerWaalsContact CB-OH 3.29Å; Y345-Y504 WeakPolarHBondContact CB-OH 3.44Å; Y345-Y504 HydrophobicContact CD1-CE2 4.12Å; Y345-Y504 HydrophobicContact CD2-CE2 4.36Å; Y345-Y504 VanDerWaalsContact CD2-OH 3.25Å; Y345-Y504 WeakPolarHBondContact CD2-OH 3.29Å; Y345-Y504 HydrophobicContact CG-CE2 4Å; Y345-Y504 AromaticContact CG-CZ 3.87Å; L457-Y504 HydrophobicContact CB-CD2 4.05Å; L457-Y504 HydrophobicContact CD1-CD2 4.23Å; L457-Y504 HydrophobicContact CD1-CE2 4.44Å; L457-Y504 HydrophobicContact CD2-CD2 4.21Å; L457-Y504 HydrophobicContact CD2-CE2 4.16Å; L457-Y504 HydrophobicContact CG-CD2 4.39Å; L457-Y504 PolarHBondContact O-N 2.85Å; N502-Y504 HydrophobicContact CB-CE2 4.1Å; N502-Y504 WeakPolarHBondContact O-CD2 3.31Å | ||
| 505 | L | 75.4 | Confident | 59.1 | Low | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 156 | -179.7 | -59.5 | 166.7 | 0 | 0 | 0 | 109.6 | I327 L329 L334 L457 R458 F459 | I327-L505 HydrophobicContact CG2-CD1 4.26Å; L329-L505 HydrophobicContact CD2-CD1 3.66Å; L329-L505 HydrophobicContact CD2-CD2 4.21Å; L334-L505 CarbonylContact O-C 3.59Å; L334-L505 WeakPolarHBondContact O-CA 3.49Å; L457-L505 PolarHBondContact O-N 2.94Å; R458-L505 CarbonylContact C-O 3.5Å; R458-L505 VanDerWaalsContact CA-O 3.29Å; R458-L505 WeakPolarHBondContact CA-O 3.39Å; R458-L505 HydrophobicContact CB-CB 4.43Å; R458-L505 HydrophobicContact CG-CB 4Å; R458-L505 HydrophobicContact CG-CD1 4.12Å; F459-L505 PolarHBondContact N-O 2.93Å |
| 506 | E | 71.5 | Confident | 58.3 | Low | 17 Ų | 17 | 72.7 Ų | 72.7 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.2 | 166.8 | 175.9 | -175.7 | 165.8 | 0 | 0 | 108.6 | D333 L334 I336 F459 L486 S510 | D333-E506 CarbonylContact C-O 3.12Å; D333-E506 WeakPolarHBondContact CA-O 3.33Å; L334-E506 PolarHBondContact N-O 3.13Å; L334-E506 PolarHBondContact O-N 2.84Å; I336-E506 HydrophobicContact CG2-CB 3.59Å; F459-E506 HydrophobicContact CD1-CG 4.27Å; F459-E506 WeakPolarHBondContact O-CA 3.2Å; L486-E506 VanDerWaalsContact CD1-OE1 3.22Å; L486-E506 WeakPolarHBondContact CD1-OE1 3.47Å; E506-S510 PolarHBondContact OE1-OG 3.42Å |
| 507 | N | 63.8 | Low | 57.7 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.064 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.7 | 173.3 | -168.8 | -84 | 0 | 0 | 0 | 110.5 | D333 W402 F459 I460 | D333-N507 PolarHBondContact OD1-ND2 3.49Å; D333-N507 PolarHBondContact OD2-ND2 3.29Å; W402-N507 HydrophobicContact CZ2-CB 4.13Å; W402-N507 PolarHBondContact NE1-ND2 3.5Å; W402-N507 VanDerWaalsContact NE1-ND2 3.11Å; F459-N507 PolarHBondContact O-N 2.78Å; I460-N507 HydrophobicContact CD1-CB 3.38Å |
| 508 | I | 54.4 | Low | 57.3 | Low | 33 Ų | 33 | 68.5 Ų | 68.5 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 75.7 | 80.4 | -170.4 | -49.6 | -158.2 | 0 | 0 | 0 | 112.6 | S332 P483 T485 S510 | S332-I508 PolarHBondContact O-N 2.64Å; P483-I508 HydrophobicContact CB-CB 4.42Å; P483-I508 HydrophobicContact CB-CD1 3.62Å; P483-I508 HydrophobicContact CB-CG1 3.88Å; P483-I508 HydrophobicContact CG-CD1 3.97Å; P483-I508 HydrophobicContact CG-CG1 4.2Å; P483-I508 WeakPolarHBondContact O-CD1 3.37Å; T485-I508 VanDerWaalsContact OG1-CG2 3.27Å; T485-I508 WeakPolarHBondContact OG1-CG2 3.3Å; I508-S510 PolarHBondContact O-N 2.87Å |
| 509 | Y | 53.2 | Low | 56.7 | Low | 27 Ų | 27 | 71.2 Ų | 71.2 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | trans | -49.5 | 127.7 | 177.7 | 176.5 | -103.8 | 0 | 0 | 0 | 114.4 | H247 R250 S332 L334 T485 K511 E513 L527 | H247-Y509 VanDerWaalsContact CE1-CB 3.5Å; H247-Y509 WeakPolarHBondContact CE1-CB 3.33Å; H247-Y509 AromaticContact CE1-CD1 3.98Å; H247-Y509 AromaticContact CE1-CD2 3.72Å; H247-Y509 AromaticContact CE1-CG 3.45Å; H247-Y509 VanDerWaalsContact CE1-CG 3.45Å; H247-Y509 AromaticContact ND1-CD1 3.99Å; H247-Y509 AromaticContact ND1-CG 3.9Å; R250-Y509 PolarHBondContact NH1-OH 3.17Å; S332-Y509 PolarHBondContact O-N 3.03Å; L334-Y509 HydrophobicContact CD2-CD2 3.98Å; L334-Y509 HydrophobicContact CD2-CE2 4.11Å; T485-Y509 WeakPolarHBondContact CG2-O 3.14Å; Y509-K511 PolarHBondContact O-N 3.4Å; Y509-E513 HydrophobicContact CE1-CB 4.37Å; Y509-L527 VanDerWaalsContact OH-CD1 3.3Å; Y509-L527 WeakPolarHBondContact OH-CD1 3.45Å | ||
| 510 | S | 49.3 | Very low | 56 | Low | 20 Ų | 20 | 61.8 Ų | 61.8 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | trans | -54.4 | 102 | 165.3 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | L486 E506 I508 E512 | L486-S510 WeakPolarHBondContact CB-OG 3.36Å; L486-S510 WeakPolarHBondContact O-CB 3.41Å; L486-S510 PolarHBondContact O-OG 3.01Å; E506-S510 PolarHBondContact OE1-OG 3.42Å; I508-S510 PolarHBondContact O-N 2.87Å; S510-E512 PolarHBondContact O-N 3.19Å | ||
| 511 | K | 44.6 | Very low | 55.2 | Low | 176 Ų | 176 | 60.1 Ų | 60.1 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | trans | -69.2 | 66.2 | -173.7 | -160.6 | -172.1 | -173.9 | -174 | 0 | 112.2 | T485 Y509 | T485-K511 HydrophobicContact CG2-CB 4.44Å; Y509-K511 PolarHBondContact O-N 3.4Å | ||
| 512 | E | 44.2 | Very low | 54 | Low | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | trans | -106.5 | 32.8 | 168.5 | -68.9 | -174.3 | -161.1 | 0 | 0 | 110.5 | S510 D514 L527 K530 | S510-E512 PolarHBondContact O-N 3.19Å; E512-D514 PolarHBondContact O-N 2.92Å; E512-L527 HydrophobicContact CB-CD2 3.24Å; E512-L527 HydrophobicContact CG-CD2 4.18Å; E512-L527 WeakPolarHBondContact OE2-CD2 3.46Å; E512-K530 IonicContact OE2-NZ 3.29Å | ||
| 513 | E | 45.4 | Very low | 52.5 | Low | 52 Ų | 52 | 59 Ų | 59 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | trans | -75.7 | 113.2 | 173.6 | -162 | 169.8 | -161.9 | 0 | 0 | 109.3 | P246 Y509 S515 Q523 | P246-E513 WeakPolarHBondContact CB-OE1 3.45Å; Y509-E513 HydrophobicContact CE1-CB 4.37Å; E513-S515 PolarHBondContact O-N 3.37Å; E513-Q523 VanDerWaalsContact CG-NE2 3.32Å; E513-Q523 PolarHBondContact OE1-NE2 2.9Å; E513-Q523 PolarHBondContact OE1-OE1 3.25Å | ||
| 514 | D | 45.6 | Very low | 50.5 | Low | 58 Ų | 58 | 57.8 Ų | 57.8 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | trans | -73.6 | 109.1 | 162.8 | -173 | -12.7 | 0 | 0 | 0 | 108 | E512 L516 I517 | E512-D514 PolarHBondContact O-N 2.92Å; D514-L516 PolarHBondContact O-N 3.21Å; D514-L516 VanDerWaalsContact OD1-CB 3.3Å; D514-L516 WeakPolarHBondContact OD1-CB 3.27Å; D514-L516 WeakPolarHBondContact OD1-CG 3.39Å; D514-L516 PolarHBondContact OD1-N 3.31Å; D514-I517 HydrophobicContact CB-CD1 4.17Å; D514-I517 HydrophobicContact CB-CG1 4.28Å; D514-I517 PolarHBondContact O-N 3.45Å | ||
| 515 | S | 46.6 | Very low | 48.8 | Very low | 110 Ų | 110 | 61 Ų | 61 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.2 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | E513 I517 | E513-S515 PolarHBondContact O-N 3.37Å; S515-I517 VanDerWaalsContact C-N 3.35Å |
| 516 | L | 45.2 | Very low | 47.3 | Very low | 149 Ų | 149 | 63.1 Ų | 63.1 | 78% | 0.78 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.9 | 175.8 | -61.7 | 169.4 | 0 | 0 | 0 | 113.1 | D514 | D514-L516 PolarHBondContact O-N 3.21Å; D514-L516 VanDerWaalsContact OD1-CB 3.3Å; D514-L516 WeakPolarHBondContact OD1-CB 3.27Å; D514-L516 WeakPolarHBondContact OD1-CG 3.39Å; D514-L516 PolarHBondContact OD1-N 3.31Å |
| 517 | I | 44 | Very low | 46.1 | Very low | 35 Ų | 35 | 63.6 Ų | 63.6 | 18% | 0.179 | 33% | 0.329 | C | S | . | . | trans | -106 | 98.4 | -176.3 | -55.6 | 178.1 | 0 | 0 | 0 | 109.2 | D514 S515 N519 Q522 Q523 | D514-I517 HydrophobicContact CB-CD1 4.17Å; D514-I517 HydrophobicContact CB-CG1 4.28Å; D514-I517 PolarHBondContact O-N 3.45Å; S515-I517 VanDerWaalsContact C-N 3.35Å; I517-N519 VanDerWaalsContact C-N 3.27Å; I517-N519 PolarHBondContact O-N 3.43Å; I517-Q522 HydrophobicContact CG2-CB 3.47Å; I517-Q522 VanDerWaalsContact CG2-CB 3.47Å; I517-Q523 HydrophobicContact CB-CG 4.12Å; I517-Q523 HydrophobicContact CG2-CG 3.92Å; I517-Q523 PolarHBondContact O-NE2 2.94Å | ||
| 518 | D | 47.4 | Very low | 45.1 | Very low | 134 Ų | 134 | 65.8 Ų | 65.8 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | trans | -70.3 | -19.5 | -179.6 | -89.9 | -22.9 | 0 | 0 | 0 | 113.8 | ||||
| 519 | N | 47.4 | Very low | 44.5 | Very low | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -92.2 | 114.7 | -175.6 | -172.4 | -28.5 | 0 | 0 | 0 | 111.8 | I517 H521 Q522 Q523 | I517-N519 VanDerWaalsContact C-N 3.27Å; I517-N519 PolarHBondContact O-N 3.43Å; N519-H521 PolarHBondContact O-N 3.28Å; N519-H521 VanDerWaalsContact O-N 3.16Å; N519-H521 WeakPolarHBondContact OD1-CB 3.49Å; N519-H521 PolarHBondContact OD1-N 3.06Å; N519-Q522 HydrophobicContact CB-CB 4.13Å; N519-Q522 HydrophobicContact CB-CG 3.97Å; N519-Q522 WeakPolarHBondContact O-CB 3.38Å; N519-Q522 PolarHBondContact O-N 2.92Å; N519-Q523 PolarHBondContact O-N 2.9Å | ||
| 520 | A | 42 | Very low | 44.2 | Very low | 7 Ų | 7 | 65.4 Ų | 65.4 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -47.2 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | R250 E253 A524 | R250-A520 HydrophobicContact CB-CB 3.41Å; R250-A520 VanDerWaalsContact CB-CB 3.41Å; R250-A520 HydrophobicContact CG-CB 3.62Å; E253-A520 WeakPolarHBondContact OE2-CB 3.36Å; A520-A524 PolarHBondContact O-N 3.37Å |
| 521 | H | 40.8 | Very low | 44 | Very low | 115 Ų | 115 | 68.4 Ų | 68.4 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 179.8 | -74.8 | 56.1 | 0 | 0 | 0 | 111.3 | E253 N519 Q523 A524 L525 | E253-H521 IonicContact OE2-ND1 2.62Å; N519-H521 PolarHBondContact O-N 3.28Å; N519-H521 VanDerWaalsContact O-N 3.16Å; N519-H521 WeakPolarHBondContact OD1-CB 3.49Å; N519-H521 PolarHBondContact OD1-N 3.06Å; H521-Q523 VanDerWaalsContact C-N 3.34Å; H521-A524 PolarHBondContact O-N 2.84Å; H521-L525 VanDerWaalsContact O-CB 3.23Å; H521-L525 WeakPolarHBondContact O-CB 3.46Å; H521-L525 PolarHBondContact O-N 2.91Å |
| 522 | Q | 40.8 | Very low | 44 | Very low | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.6 | -70.1 | 179.3 | -30.8 | 0 | 0 | 111.1 | I517 N519 L525 Y526 | I517-Q522 HydrophobicContact CG2-CB 3.47Å; I517-Q522 VanDerWaalsContact CG2-CB 3.47Å; N519-Q522 HydrophobicContact CB-CB 4.13Å; N519-Q522 HydrophobicContact CB-CG 3.97Å; N519-Q522 WeakPolarHBondContact O-CB 3.38Å; N519-Q522 PolarHBondContact O-N 2.92Å; Q522-L525 PolarHBondContact O-N 3.3Å; Q522-Y526 WeakPolarHBondContact O-CB 3.47Å; Q522-Y526 PolarHBondContact O-N 2.82Å |
| 523 | Q | 43.4 | Very low | 44.2 | Very low | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 174.6 | -65 | 179.6 | -0.6 | 0 | 0 | 112.5 | E513 I517 N519 H521 L525 Y526 L527 | E513-Q523 VanDerWaalsContact CG-NE2 3.32Å; E513-Q523 PolarHBondContact OE1-NE2 2.9Å; E513-Q523 PolarHBondContact OE1-OE1 3.25Å; I517-Q523 HydrophobicContact CB-CG 4.12Å; I517-Q523 HydrophobicContact CG2-CG 3.92Å; I517-Q523 PolarHBondContact O-NE2 2.94Å; N519-Q523 PolarHBondContact O-N 2.9Å; H521-Q523 VanDerWaalsContact C-N 3.34Å; Q523-L525 VanDerWaalsContact C-N 3.27Å; Q523-L525 PolarHBondContact O-N 2.77Å; Q523-Y526 WeakPolarHBondContact O-CB 3.38Å; Q523-Y526 PolarHBondContact O-N 2.71Å; Q523-L527 WeakPolarHBondContact O-CG 3.31Å; Q523-L527 PolarHBondContact O-N 3.38Å; Q523-L527 VanDerWaalsContact O-N 3.08Å |
| 524 | A | 39.5 | Very low | 44.4 | Very low | 28 Ų | 28 | 60.6 Ų | 60.6 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A520 H521 L527 A528 | A520-A524 PolarHBondContact O-N 3.37Å; H521-A524 PolarHBondContact O-N 2.84Å; A524-L527 PolarHBondContact O-N 2.71Å; A524-A528 WeakPolarHBondContact O-CB 3.48Å; A524-A528 PolarHBondContact O-N 3.05Å |
| 525 | L | 40.5 | Very low | 44.5 | Very low | 70 Ų | 70 | 61.9 Ų | 61.9 | 37% | 0.366 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 174.5 | -175.4 | 63.2 | 0 | 0 | 0 | 111 | H521 Q522 Q523 L527 A528 L529 | H521-L525 VanDerWaalsContact O-CB 3.23Å; H521-L525 WeakPolarHBondContact O-CB 3.46Å; H521-L525 PolarHBondContact O-N 2.91Å; Q522-L525 PolarHBondContact O-N 3.3Å; Q523-L525 VanDerWaalsContact C-N 3.27Å; Q523-L525 PolarHBondContact O-N 2.77Å; L525-L527 VanDerWaalsContact C-N 3.32Å; L525-L527 PolarHBondContact O-N 2.79Å; L525-A528 PolarHBondContact O-N 3.44Å; L525-L529 HydrophobicContact CD1-CD1 4.13Å; L525-L529 HydrophobicContact CD1-CG 4.29Å; L525-L529 HydrophobicContact CG-CD1 3.77Å; L525-L529 HydrophobicContact CG-CG 4.4Å; L525-L529 WeakPolarHBondContact O-CB 3.22Å; L525-L529 VanDerWaalsContact O-CD1 3.28Å; L525-L529 WeakPolarHBondContact O-CD1 3.35Å; L525-L529 WeakPolarHBondContact O-CG 3.23Å; L525-L529 PolarHBondContact O-N 3.29Å |
| 526 | Y | 44.1 | Very low | 44.6 | Very low | 50 Ų | 50 | 57.9 Ų | 57.9 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.9 | -45.9 | 177.2 | 177.6 | -104.1 | 0 | 0 | 0 | 112.5 | Q522 Q523 L529 K530 | Q522-Y526 WeakPolarHBondContact O-CB 3.47Å; Q522-Y526 PolarHBondContact O-N 2.82Å; Q523-Y526 WeakPolarHBondContact O-CB 3.38Å; Q523-Y526 PolarHBondContact O-N 2.71Å; Y526-L529 PolarHBondContact O-N 3.21Å; Y526-K530 HydrophobicContact CE1-CD 3.99Å; Y526-K530 HydrophobicContact CE1-CG 4.41Å; Y526-K530 VanDerWaalsContact CZ-CE 3.47Å; Y526-K530 PolarHBondContact O-N 2.97Å; Y526-K530 WeakPolarHBondContact OH-CE 3.46Å |
| 527 | L | 45 | Very low | 44.9 | Very low | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 178.2 | -64.2 | 169.9 | 0 | 0 | 0 | 113.3 | Y509 E512 Q523 A524 L525 L529 K530 C531 | Y509-L527 VanDerWaalsContact OH-CD1 3.3Å; Y509-L527 WeakPolarHBondContact OH-CD1 3.45Å; E512-L527 HydrophobicContact CB-CD2 3.24Å; E512-L527 HydrophobicContact CG-CD2 4.18Å; E512-L527 WeakPolarHBondContact OE2-CD2 3.46Å; Q523-L527 WeakPolarHBondContact O-CG 3.31Å; Q523-L527 PolarHBondContact O-N 3.38Å; Q523-L527 VanDerWaalsContact O-N 3.08Å; A524-L527 PolarHBondContact O-N 2.71Å; L525-L527 VanDerWaalsContact C-N 3.32Å; L525-L527 PolarHBondContact O-N 2.79Å; L527-L529 PolarHBondContact O-N 3.42Å; L527-K530 WeakPolarHBondContact O-CB 3.42Å; L527-K530 PolarHBondContact O-N 3.08Å; L527-C531 PolarHBondContact O-N 2.78Å |
| 528 | A | 42.9 | Very low | 45.3 | Very low | 57 Ų | 57 | 55.2 Ų | 55.2 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | A524 L525 C531 L532 | A524-A528 WeakPolarHBondContact O-CB 3.48Å; A524-A528 PolarHBondContact O-N 3.05Å; L525-A528 PolarHBondContact O-N 3.44Å; A528-C531 PolarHBondContact O-N 3.47Å; A528-L532 VanDerWaalsContact O-CB 3.27Å; A528-L532 WeakPolarHBondContact O-CB 3.39Å; A528-L532 PolarHBondContact O-N 3.15Å |
| 529 | L | 42.8 | Very low | 45.4 | Very low | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 177 | -66.9 | 163.9 | 0 | 0 | 0 | 112.4 | L525 Y526 L527 C531 L532 S533 L563 T567 V653 | L525-L529 HydrophobicContact CD1-CD1 4.13Å; L525-L529 HydrophobicContact CD1-CG 4.29Å; L525-L529 HydrophobicContact CG-CD1 3.77Å; L525-L529 HydrophobicContact CG-CG 4.4Å; L525-L529 WeakPolarHBondContact O-CB 3.22Å; L525-L529 VanDerWaalsContact O-CD1 3.28Å; L525-L529 WeakPolarHBondContact O-CD1 3.35Å; L525-L529 WeakPolarHBondContact O-CG 3.23Å; L525-L529 PolarHBondContact O-N 3.29Å; Y526-L529 PolarHBondContact O-N 3.21Å; L527-L529 PolarHBondContact O-N 3.42Å; L529-C531 VanDerWaalsContact C-N 3.31Å; L529-C531 PolarHBondContact O-N 3.44Å; L529-L532 PolarHBondContact O-N 3.28Å; L529-S533 VanDerWaalsContact O-CB 3.27Å; L529-S533 WeakPolarHBondContact O-CB 3.31Å; L529-S533 PolarHBondContact O-N 2.77Å; L529-S533 PolarHBondContact O-OG 3.35Å; L529-L563 HydrophobicContact CB-CD2 4.22Å; L529-L563 HydrophobicContact CD2-CD2 3.7Å; L529-L563 HydrophobicContact CD2-CG 3.87Å; L529-L563 WeakPolarHBondContact O-CD2 3.48Å; L529-T567 HydrophobicContact CB-CG2 3.97Å; L529-V653 HydrophobicContact CD1-CB 3.69Å; L529-V653 HydrophobicContact CD1-CG1 3.56Å; L529-V653 HydrophobicContact CD1-CG2 3.19Å; L529-V653 HydrophobicContact CD2-CG1 3.97Å; L529-V653 HydrophobicContact CG-CG1 4.43Å |
| 530 | K | 46.4 | Very low | 45.5 | Very low | 37 Ų | 37 | 49.9 Ų | 49.9 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.4 | -50.1 | 169.7 | -82.7 | -170.5 | 167.2 | -164.4 | 0 | 111.1 | E512 Y526 L527 S533 K534 T567 E571 | E512-K530 IonicContact OE2-NZ 3.29Å; Y526-K530 HydrophobicContact CE1-CD 3.99Å; Y526-K530 HydrophobicContact CE1-CG 4.41Å; Y526-K530 VanDerWaalsContact CZ-CE 3.47Å; Y526-K530 PolarHBondContact O-N 2.97Å; Y526-K530 WeakPolarHBondContact OH-CE 3.46Å; L527-K530 WeakPolarHBondContact O-CB 3.42Å; L527-K530 PolarHBondContact O-N 3.08Å; K530-S533 PolarHBondContact O-OG 3.45Å; K530-K534 PolarHBondContact O-N 3.12Å; K530-T567 HydrophobicContact CG-CG2 4.12Å; K530-E571 IonicContact NZ-OE1 2.71Å; K530-E571 PolarHBondContact NZ-OE1 3.15Å |
| 531 | C | 45.8 | Very low | 45.9 | Very low | 83 Ų | 83 | 51.8 Ų | 51.8 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 177.7 | -76.5 | 0 | 0 | 0 | 0 | 113.1 | L527 A528 L529 K534 K535 | L527-C531 PolarHBondContact O-N 2.78Å; A528-C531 PolarHBondContact O-N 3.47Å; L529-C531 VanDerWaalsContact C-N 3.31Å; L529-C531 PolarHBondContact O-N 3.44Å; C531-K534 PolarHBondContact O-N 3.13Å; C531-K535 PolarHBondContact O-N 3.13Å |
| 532 | L | 44.4 | Very low | 46.5 | Very low | 80 Ų | 80 | 55.7 Ų | 55.7 | 42% | 0.419 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | -177.7 | -168.3 | 71.2 | 0 | 0 | 0 | 111.7 | A528 L529 K534 K535 L536 L563 | A528-L532 VanDerWaalsContact O-CB 3.27Å; A528-L532 WeakPolarHBondContact O-CB 3.39Å; A528-L532 PolarHBondContact O-N 3.15Å; L529-L532 PolarHBondContact O-N 3.28Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.19Å; L532-K535 PolarHBondContact O-N 2.76Å; L532-L536 HydrophobicContact CD2-CD1 4.42Å; L532-L536 HydrophobicContact CG-CD1 4Å; L532-L536 HydrophobicContact CG-CG 4.5Å; L532-L536 WeakPolarHBondContact O-CB 3.09Å; L532-L536 WeakPolarHBondContact O-CG 3.46Å; L532-L536 PolarHBondContact O-N 3.43Å; L532-L563 HydrophobicContact CB-CD2 3.7Å; L532-L563 HydrophobicContact CD2-CD1 4.41Å; L532-L563 HydrophobicContact CD2-CD2 3.85Å; L532-L563 HydrophobicContact CG-CD2 3.96Å |
| 533 | S | 47.8 | Very low | 47.1 | Very low | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 110.8 | L529 K530 L536 M537 | L529-S533 VanDerWaalsContact O-CB 3.27Å; L529-S533 WeakPolarHBondContact O-CB 3.31Å; L529-S533 PolarHBondContact O-N 2.77Å; L529-S533 PolarHBondContact O-OG 3.35Å; K530-S533 PolarHBondContact O-OG 3.45Å; S533-L536 PolarHBondContact O-N 2.86Å; S533-M537 VanDerWaalsContact O-CB 3.31Å; S533-M537 WeakPolarHBondContact O-CB 3.5Å; S533-M537 WeakPolarHBondContact O-CG 3.38Å; S533-M537 PolarHBondContact O-N 3.45Å |
| 534 | K | 49.7 | Very low | 47.3 | Very low | 46 Ų | 46 | 59.1 Ų | 59.1 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.5 | -169.4 | 171.1 | -169.7 | 164.8 | 0 | 111.8 | K530 C531 L532 M537 F538 F572 | K530-K534 PolarHBondContact O-N 3.12Å; C531-K534 PolarHBondContact O-N 3.13Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 3.19Å; K534-M537 PolarHBondContact O-N 3.23Å; K534-F538 HydrophobicContact CD-CE2 4.31Å; K534-F538 HydrophobicContact CG-CD2 3.82Å; K534-F538 HydrophobicContact CG-CE2 3.62Å; K534-F538 WeakPolarHBondContact O-CD2 3.47Å; K534-F538 PolarHBondContact O-N 3.25Å; K534-F572 HydrophobicContact CB-CE1 4.45Å; K534-F572 HydrophobicContact CG-CE1 4.43Å |
| 535 | K | 48.3 | Very low | 47.9 | Very low | 85 Ų | 85 | 64 Ų | 64 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 177.5 | -177.5 | -177.5 | 174.9 | -173.9 | 0 | 112 | C531 L532 F538 Q539 | C531-K535 PolarHBondContact O-N 3.13Å; L532-K535 PolarHBondContact O-N 2.76Å; K535-F538 PolarHBondContact O-N 2.98Å; K535-Q539 WeakPolarHBondContact O-CB 3.33Å; K535-Q539 WeakPolarHBondContact O-CG 3.39Å; K535-Q539 PolarHBondContact O-N 3.5Å |
| 536 | L | 48.3 | Very low | 48.3 | Very low | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.6 | -77.2 | 168.5 | 0 | 0 | 0 | 111.1 | L532 S533 Q539 L540 N559 L563 | L532-L536 HydrophobicContact CD2-CD1 4.42Å; L532-L536 HydrophobicContact CG-CD1 4Å; L532-L536 HydrophobicContact CG-CG 4.5Å; L532-L536 WeakPolarHBondContact O-CB 3.09Å; L532-L536 WeakPolarHBondContact O-CG 3.46Å; L532-L536 PolarHBondContact O-N 3.43Å; S533-L536 PolarHBondContact O-N 2.86Å; L536-Q539 CarbonylContact O-C 3.47Å; L536-Q539 PolarHBondContact O-N 3.45Å; L536-L540 WeakPolarHBondContact O-CB 3.43Å; L536-L540 PolarHBondContact O-N 3.24Å; L536-N559 HydrophobicContact CD1-CB 4.35Å; L536-L563 HydrophobicContact CD1-CD1 4.46Å |
| 537 | M | 51.2 | Low | 48.4 | Very low | 31 Ų | 31 | 73 Ų | 73 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 172.7 | -81.9 | -65.7 | -67.8 | 0 | 0 | 111.8 | S533 K534 Q539 L540 L541 | S533-M537 VanDerWaalsContact O-CB 3.31Å; S533-M537 WeakPolarHBondContact O-CB 3.5Å; S533-M537 WeakPolarHBondContact O-CG 3.38Å; S533-M537 PolarHBondContact O-N 3.45Å; K534-M537 PolarHBondContact O-N 3.23Å; M537-Q539 VanDerWaalsContact C-N 3.3Å; M537-Q539 PolarHBondContact O-N 2.88Å; M537-L540 WeakPolarHBondContact O-CB 3.49Å; M537-L540 PolarHBondContact O-N 3.45Å; M537-L540 VanDerWaalsContact O-N 3.15Å; M537-L541 VanDerWaalsContact O-CG 3.25Å; M537-L541 WeakPolarHBondContact O-CG 3.5Å; M537-L541 PolarHBondContact O-N 2.87Å |
| 538 | F | 51.8 | Low | 48.6 | Very low | 96 Ų | 96 | 77.5 Ų | 77.5 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 175.3 | -83.8 | -63.8 | 0 | 0 | 0 | 113 | K534 K535 L541 R542 | K534-F538 HydrophobicContact CD-CE2 4.31Å; K534-F538 HydrophobicContact CG-CD2 3.82Å; K534-F538 HydrophobicContact CG-CE2 3.62Å; K534-F538 WeakPolarHBondContact O-CD2 3.47Å; K534-F538 PolarHBondContact O-N 3.25Å; K535-F538 PolarHBondContact O-N 2.98Å; F538-L541 HydrophobicContact CD1-CD1 4.32Å; F538-L541 PolarHBondContact O-N 3.44Å; F538-R542 WeakPolarHBondContact O-CG 3.42Å; F538-R542 PolarHBondContact O-N 3.3Å |
| 539 | Q | 50.3 | Low | 48.9 | Very low | 73 Ų | 73 | 79.5 Ų | 79.5 | 34% | 0.341 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 174.1 | -76 | -180 | -28.3 | 0 | 0 | 111.9 | K535 L536 M537 L541 R542 S543 | K535-Q539 WeakPolarHBondContact O-CB 3.33Å; K535-Q539 WeakPolarHBondContact O-CG 3.39Å; K535-Q539 PolarHBondContact O-N 3.5Å; L536-Q539 CarbonylContact O-C 3.47Å; L536-Q539 PolarHBondContact O-N 3.45Å; M537-Q539 VanDerWaalsContact C-N 3.3Å; M537-Q539 PolarHBondContact O-N 2.88Å; Q539-L541 VanDerWaalsContact C-N 3.34Å; Q539-R542 PolarHBondContact O-N 2.87Å; Q539-S543 VanDerWaalsContact O-CB 3.29Å; Q539-S543 WeakPolarHBondContact O-CB 3.24Å; Q539-S543 PolarHBondContact O-N 3.1Å; Q539-S543 PolarHBondContact O-OG 3.36Å |
| 540 | L | 50.3 | Low | 49.2 | Very low | 23 Ų | 23 | 83.2 Ų | 83.2 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174 | -160.2 | 108.4 | 0 | 0 | 0 | 110.2 | L536 M537 S543 Y544 L557 | L536-L540 WeakPolarHBondContact O-CB 3.43Å; L536-L540 PolarHBondContact O-N 3.24Å; M537-L540 WeakPolarHBondContact O-CB 3.49Å; M537-L540 PolarHBondContact O-N 3.45Å; M537-L540 VanDerWaalsContact O-N 3.15Å; L540-S543 WeakPolarHBondContact CA-OG 3.35Å; L540-S543 PolarHBondContact O-N 3.27Å; L540-S543 PolarHBondContact O-OG 3.1Å; L540-S543 VanDerWaalsContact O-OG 3.06Å; L540-Y544 PolarHBondContact O-N 3.2Å; L540-L557 HydrophobicContact CD1-CD1 4.16Å; L540-L557 HydrophobicContact CD2-CD1 4.04Å |
| 541 | L | 50.7 | Low | 49 | Very low | 48 Ų | 48 | 86.7 Ų | 86.7 | 25% | 0.251 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 175.5 | -66.6 | 173.1 | 0 | 0 | 0 | 112.8 | M537 F538 Q539 I575 L580 | M537-L541 VanDerWaalsContact O-CG 3.25Å; M537-L541 WeakPolarHBondContact O-CG 3.5Å; M537-L541 PolarHBondContact O-N 2.87Å; F538-L541 HydrophobicContact CD1-CD1 4.32Å; F538-L541 PolarHBondContact O-N 3.44Å; Q539-L541 VanDerWaalsContact C-N 3.34Å; L541-I575 HydrophobicContact CD1-CD1 4.39Å; L541-I575 HydrophobicContact CD1-CG2 4.12Å; L541-L580 HydrophobicContact CD2-CD1 3.44Å; L541-L580 VanDerWaalsContact CD2-CD1 3.44Å; L541-L580 HydrophobicContact CD2-CD2 3.44Å; L541-L580 VanDerWaalsContact CD2-CD2 3.44Å; L541-L580 HydrophobicContact CD2-CG 3.86Å |
| 542 | R | 52.6 | Low | 49 | Very low | 196 Ų | 196 | 88.3 Ų | 88.3 | 74% | 0.74 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.6 | -40.5 | 177.6 | -74.3 | -170.1 | -159.3 | -163.8 | 5.4 | 112.9 | F538 Q539 Y544 N545 | F538-R542 WeakPolarHBondContact O-CG 3.42Å; F538-R542 PolarHBondContact O-N 3.3Å; Q539-R542 PolarHBondContact O-N 2.87Å; R542-Y544 VanDerWaalsContact C-N 3.31Å; R542-N545 PolarHBondContact O-N 2.92Å |
| 543 | S | 52.9 | Low | 49.1 | Very low | 19 Ų | 19 | 86.1 Ų | 86.1 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.4 | -28.8 | -178.2 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | Q539 L540 N545 Y546 N547 | Q539-S543 VanDerWaalsContact O-CB 3.29Å; Q539-S543 WeakPolarHBondContact O-CB 3.24Å; Q539-S543 PolarHBondContact O-N 3.1Å; Q539-S543 PolarHBondContact O-OG 3.36Å; L540-S543 WeakPolarHBondContact CA-OG 3.35Å; L540-S543 PolarHBondContact O-N 3.27Å; L540-S543 PolarHBondContact O-OG 3.1Å; L540-S543 VanDerWaalsContact O-OG 3.06Å; S543-N545 VanDerWaalsContact C-N 3.29Å; S543-N545 PolarHBondContact O-N 2.84Å; S543-Y546 PolarHBondContact O-N 2.76Å; S543-Y546 VanDerWaalsContact O-N 3.13Å; S543-N547 PolarHBondContact O-N 2.83Å |
| 544 | Y | 47.6 | Very low | 48.9 | Very low | 147 Ų | 147 | 90.4 Ų | 90.4 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.6 | -38 | 174.4 | -164.2 | -100.1 | 0 | 0 | 0 | 112.7 | L540 R542 Y546 I583 | L540-Y544 PolarHBondContact O-N 3.2Å; R542-Y544 VanDerWaalsContact C-N 3.31Å; Y544-Y546 VanDerWaalsContact C-N 3.28Å; Y544-Y546 PolarHBondContact O-N 3.49Å; Y544-I583 HydrophobicContact CE1-CD1 4.49Å |
| 545 | N | 51.6 | Low | 48.7 | Very low | 131 Ų | 131 | 90.2 Ų | 90.2 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.1 | 178.5 | -84.9 | -7.7 | 0 | 0 | 0 | 114.2 | R542 S543 | R542-N545 PolarHBondContact O-N 2.92Å; S543-N545 VanDerWaalsContact C-N 3.29Å; S543-N545 PolarHBondContact O-N 2.84Å |
| 546 | Y | 49.8 | Very low | 48.6 | Very low | 214 Ų | 214 | 86.4 Ų | 86.4 | 84% | 0.839 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | -13.2 | -167.4 | -84.5 | -81.9 | 0 | 0 | 0 | 116.5 | S543 Y544 | S543-Y546 PolarHBondContact O-N 2.76Å; S543-Y546 VanDerWaalsContact O-N 3.13Å; Y544-Y546 VanDerWaalsContact C-N 3.28Å; Y544-Y546 PolarHBondContact O-N 3.49Å |
| 547 | N | 46.4 | Very low | 48.7 | Very low | 95 Ų | 95 | 87.8 Ų | 87.8 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | trans | -143.4 | 108.2 | -172.6 | -148 | -24.7 | 0 | 0 | 0 | 113.8 | S543 N549 | S543-N547 PolarHBondContact O-N 2.83Å; N547-N549 PolarHBondContact O-N 2.89Å; N547-N549 VanDerWaalsContact O-N 3.17Å | ||
| 548 | P | 48.5 | Very low | 48.6 | Very low | 121 Ų | 121 | 87.4 Ų | 87.4 | 79% | 0.786 | 42% | 0.419 | S | S | * | . | trans | -79.3 | 11.3 | -178.1 | 32.1 | -34.2 | 0 | 0 | 0 | 114 | L550 | P548-L550 PolarHBondContact O-N 3.43Š| ||
| 549 | N | 50.6 | Low | 48.3 | Very low | 98 Ų | 98 | 86.1 Ų | 86.1 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | trans | -71 | 94.9 | -178.9 | -160.1 | -19.4 | 0 | 0 | 0 | 111.4 | N547 L551 Y552 I553 | N547-N549 PolarHBondContact O-N 2.89Å; N547-N549 VanDerWaalsContact O-N 3.17Å; N549-L551 PolarHBondContact O-N 3.4Å; N549-L551 VanDerWaalsContact O-N 3.08Å; N549-Y552 PolarHBondContact O-N 2.93Å; N549-I553 PolarHBondContact O-N 2.83Å | ||
| 550 | L | 48.4 | Very low | 48.2 | Very low | 95 Ų | 95 | 83 Ų | 83 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.7 | -27.8 | -172.9 | -161.2 | 76.8 | 0 | 0 | 0 | 113.7 | P548 K554 | P548-L550 PolarHBondContact O-N 3.43Å; L550-K554 HydrophobicContact CG-CD 4.38Å; L550-K554 WeakPolarHBondContact O-CB 3.39Å; L550-K554 VanDerWaalsContact O-CG 3.28Å; L550-K554 WeakPolarHBondContact O-CG 3.45Å; L550-K554 PolarHBondContact O-N 3.31Å |
| 551 | L | 41 | Very low | 48.1 | Very low | 109 Ų | 109 | 83.3 Ų | 83.3 | 57% | 0.571 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.5 | -44.4 | -178.9 | -158 | 83.4 | 0 | 0 | 0 | 111.7 | N549 K554 S555 | N549-L551 PolarHBondContact O-N 3.4Å; N549-L551 VanDerWaalsContact O-N 3.08Å; L551-K554 PolarHBondContact O-N 3.18Å; L551-S555 PolarHBondContact O-N 2.91Å |
| 552 | Y | 46.1 | Very low | 48 | Very low | 117 Ų | 117 | 81.6 Ų | 81.6 | 46% | 0.459 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 177.3 | -177.6 | -98.8 | 0 | 0 | 0 | 111.2 | N549 K554 S555 S556 | N549-Y552 PolarHBondContact O-N 2.93Å; Y552-K554 PolarHBondContact O-N 3.27Å; Y552-S555 PolarHBondContact O-OG 3.36Å; Y552-S556 WeakPolarHBondContact O-CB 3.48Å; Y552-S556 PolarHBondContact O-N 2.78Å; Y552-S556 VanDerWaalsContact O-N 3.07Å |
| 553 | I | 46.4 | Very low | 47.6 | Very low | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.179 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.5 | -62.1 | 174.8 | 0 | 0 | 0 | 110.1 | N549 L557 | N549-I553 PolarHBondContact O-N 2.83Å; I553-L557 VanDerWaalsContact O-CB 3.29Å; I553-L557 WeakPolarHBondContact O-CB 3.32Å; I553-L557 PolarHBondContact O-N 3.47Å |
| 554 | K | 44.1 | Very low | 47.3 | Very low | 93 Ų | 93 | 72.5 Ų | 72.5 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | -177.7 | -78.6 | 176.3 | 177.7 | -179.5 | 0 | 113.8 | L550 L551 Y552 L557 L558 | L550-K554 HydrophobicContact CG-CD 4.38Å; L550-K554 WeakPolarHBondContact O-CB 3.39Å; L550-K554 VanDerWaalsContact O-CG 3.28Å; L550-K554 WeakPolarHBondContact O-CG 3.45Å; L550-K554 PolarHBondContact O-N 3.31Å; L551-K554 PolarHBondContact O-N 3.18Å; Y552-K554 PolarHBondContact O-N 3.27Å; K554-L557 WeakPolarHBondContact O-CB 3.49Å; K554-L557 PolarHBondContact O-N 3.14Å; K554-L558 PolarHBondContact O-N 2.92Å |
| 555 | S | 45.2 | Very low | 47.2 | Very low | 42 Ų | 42 | 68.6 Ų | 68.6 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177.3 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | L551 Y552 L557 L558 N559 | L551-S555 PolarHBondContact O-N 2.91Å; Y552-S555 PolarHBondContact O-OG 3.36Å; S555-L557 VanDerWaalsContact C-N 3.32Å; S555-L557 PolarHBondContact O-N 3.35Å; S555-L558 PolarHBondContact O-N 3.44Å; S555-N559 PolarHBondContact O-N 3.21Å |
| 556 | S | 47.6 | Very low | 46.8 | Very low | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 174.6 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | Y552 S560 | Y552-S556 WeakPolarHBondContact O-CB 3.48Å; Y552-S556 PolarHBondContact O-N 2.78Å; Y552-S556 VanDerWaalsContact O-N 3.07Å; S556-S560 WeakPolarHBondContact O-CB 3.3Å; S556-S560 PolarHBondContact O-N 2.96Å; S556-S560 PolarHBondContact O-OG 3.01Å |
| 557 | L | 48.8 | Very low | 46.4 | Very low | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.293 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.9 | -145 | 93.9 | 0 | 0 | 0 | 111.6 | L540 I553 K554 S555 S560 F561 K587 | L540-L557 HydrophobicContact CD1-CD1 4.16Å; L540-L557 HydrophobicContact CD2-CD1 4.04Å; I553-L557 VanDerWaalsContact O-CB 3.29Å; I553-L557 WeakPolarHBondContact O-CB 3.32Å; I553-L557 PolarHBondContact O-N 3.47Å; K554-L557 WeakPolarHBondContact O-CB 3.49Å; K554-L557 PolarHBondContact O-N 3.14Å; S555-L557 VanDerWaalsContact C-N 3.32Å; S555-L557 PolarHBondContact O-N 3.35Å; L557-S560 PolarHBondContact O-N 2.9Å; L557-F561 VanDerWaalsContact O-CB 3.23Å; L557-F561 WeakPolarHBondContact O-CB 3.3Å; L557-F561 PolarHBondContact O-N 3.34Å; L557-K587 HydrophobicContact CD2-CB 4.46Å |
| 558 | L | 49.2 | Very low | 46.4 | Very low | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 179.1 | -177.8 | 64.1 | 0 | 0 | 0 | 111.6 | K554 S555 S560 F561 A562 P592 L594 Y661 I808 | K554-L558 PolarHBondContact O-N 2.92Å; S555-L558 PolarHBondContact O-N 3.44Å; L558-S560 VanDerWaalsContact C-N 3.31Å; L558-S560 PolarHBondContact O-N 2.99Å; L558-F561 PolarHBondContact O-N 3.11Å; L558-A562 PolarHBondContact O-N 3.37Å; L558-P592 HydrophobicContact CD1-CG 3.76Å; L558-P592 HydrophobicContact CD2-CG 4.33Å; L558-P592 HydrophobicContact CG-CG 4.46Å; L558-L594 HydrophobicContact CD2-CD2 3.98Å; L558-Y661 HydrophobicContact CD1-CE2 3.87Å; L558-I808 HydrophobicContact CD2-CD1 3.98Å |
| 559 | N | 46.7 | Very low | 46.2 | Very low | 69 Ų | 69 | 47.5 Ų | 47.5 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.5 | -73.6 | -17.5 | 0 | 0 | 0 | 111.1 | L536 S555 L563 | L536-N559 HydrophobicContact CD1-CB 4.35Å; S555-N559 PolarHBondContact O-N 3.21Å; N559-L563 WeakPolarHBondContact O-CB 3.26Å; N559-L563 WeakPolarHBondContact O-CD1 3.36Å; N559-L563 PolarHBondContact O-N 3.43Å |
| 560 | S | 47.3 | Very low | 45.9 | Very low | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | S556 L557 L558 A562 L563 F564 | S556-S560 WeakPolarHBondContact O-CB 3.3Å; S556-S560 PolarHBondContact O-N 2.96Å; S556-S560 PolarHBondContact O-OG 3.01Å; L557-S560 PolarHBondContact O-N 2.9Å; L558-S560 VanDerWaalsContact C-N 3.31Å; L558-S560 PolarHBondContact O-N 2.99Å; S560-A562 PolarHBondContact O-N 2.96Å; S560-L563 PolarHBondContact O-N 2.78Å; S560-F564 WeakPolarHBondContact O-CA 2.92Å; S560-F564 WeakPolarHBondContact O-CB 3.35Å; S560-F564 PolarHBondContact O-N 3.01Å |
| 561 | F | 49.1 | Very low | 45.7 | Very low | 30 Ų | 30 | 50.1 Ų | 50.1 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | -179.8 | -170.6 | -88.5 | 0 | 0 | 0 | 112.5 | L557 L558 F564 N565 W584 | L557-F561 VanDerWaalsContact O-CB 3.23Å; L557-F561 WeakPolarHBondContact O-CB 3.3Å; L557-F561 PolarHBondContact O-N 3.34Å; L558-F561 PolarHBondContact O-N 3.11Å; F561-F564 PolarHBondContact O-N 2.96Å; F561-N565 VanDerWaalsContact CE1-ND2 3.25Å; F561-N565 WeakPolarHBondContact CE1-ND2 3.22Å; F561-N565 PolarHBondContact O-N 3.09Å; F561-W584 HydrophobicContact CD2-CH2 4.21Å; F561-W584 AromaticContact CD2-CZ2 3.41Å; F561-W584 HydrophobicContact CD2-CZ2 3.41Å; F561-W584 VanDerWaalsContact CD2-CZ2 3.41Å; F561-W584 AromaticContact CE2-CH2 3.61Å; F561-W584 HydrophobicContact CE2-CH2 3.61Å; F561-W584 AromaticContact CE2-CZ2 3.28Å; F561-W584 HydrophobicContact CE2-CZ2 3.28Å; F561-W584 HydrophobicContact CZ-CZ2 4.45Å |
| 562 | A | 48.7 | Very low | 46 | Very low | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.8 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L558 S560 F564 A566 I657 | L558-A562 PolarHBondContact O-N 3.37Å; S560-A562 PolarHBondContact O-N 2.96Å; A562-F564 VanDerWaalsContact C-N 3.34Å; A562-A566 WeakPolarHBondContact O-CB 3.34Å; A562-A566 PolarHBondContact O-N 2.88Å; A562-I657 HydrophobicContact CB-CD1 4.25Å; A562-I657 HydrophobicContact CB-CG1 3.57Å |
| 563 | L | 44.4 | Very low | 45.9 | Very low | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 172.6 | -95.6 | 98.6 | 0 | 0 | 0 | 112.3 | L529 L532 L536 N559 S560 A566 T567 | L529-L563 HydrophobicContact CB-CD2 4.22Å; L529-L563 HydrophobicContact CD2-CD2 3.7Å; L529-L563 HydrophobicContact CD2-CG 3.87Å; L529-L563 WeakPolarHBondContact O-CD2 3.48Å; L532-L563 HydrophobicContact CB-CD2 3.7Å; L532-L563 HydrophobicContact CD2-CD1 4.41Å; L532-L563 HydrophobicContact CD2-CD2 3.85Å; L532-L563 HydrophobicContact CG-CD2 3.96Å; L536-L563 HydrophobicContact CD1-CD1 4.46Å; N559-L563 WeakPolarHBondContact O-CB 3.26Å; N559-L563 WeakPolarHBondContact O-CD1 3.36Å; N559-L563 PolarHBondContact O-N 3.43Å; S560-L563 PolarHBondContact O-N 2.78Å; L563-A566 CarbonylContact O-C 3.59Å; L563-A566 WeakPolarHBondContact O-CB 3.34Å; L563-A566 PolarHBondContact O-N 3.2Å; L563-A566 VanDerWaalsContact O-N 3.13Å; L563-T567 WeakPolarHBondContact O-CG2 3.34Å; L563-T567 PolarHBondContact O-N 3.31Å; L563-T567 PolarHBondContact O-OG1 3.46Å |
| 564 | F | 46.8 | Very low | 46 | Very low | 10 Ų | 10 | 52.5 Ų | 52.5 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 180 | 164.2 | -81.9 | 0 | 0 | 0 | 113.3 | S560 F561 A562 A566 T567 G568 W569 W584 | S560-F564 WeakPolarHBondContact O-CA 2.92Å; S560-F564 WeakPolarHBondContact O-CB 3.35Å; S560-F564 PolarHBondContact O-N 3.01Å; F561-F564 PolarHBondContact O-N 2.96Å; A562-F564 VanDerWaalsContact C-N 3.34Å; F564-A566 PolarHBondContact O-N 3.15Å; F564-T567 PolarHBondContact O-N 3.08Å; F564-G568 PolarHBondContact O-N 2.97Å; F564-W569 HydrophobicContact CD2-CD2 4.44Å; F564-W569 HydrophobicContact CD2-CZ2 4.46Å; F564-W569 AromaticContact CE1-CE2 3.88Å; F564-W569 HydrophobicContact CE1-CZ2 4.17Å; F564-W569 AromaticContact CE1-NE1 3.3Å; F564-W569 VanDerWaalsContact CE1-NE1 3.3Å; F564-W569 AromaticContact CE2-CD2 3.66Å; F564-W569 HydrophobicContact CE2-CD2 3.66Å; F564-W569 AromaticContact CE2-CE2 3.07Å; F564-W569 HydrophobicContact CE2-CE3 4.16Å; F564-W569 HydrophobicContact CE2-CG 4.35Å; F564-W569 AromaticContact CE2-CH2 3.7Å; F564-W569 HydrophobicContact CE2-CH2 3.7Å; F564-W569 AromaticContact CE2-CZ2 3.14Å; F564-W569 HydrophobicContact CE2-CZ2 3.14Å; F564-W569 HydrophobicContact CE2-CZ3 4.17Å; F564-W569 AromaticContact CE2-NE1 3.36Å; F564-W569 AromaticContact CZ-CD1 3.95Å; F564-W569 AromaticContact CZ-CD2 3.99Å; F564-W569 HydrophobicContact CZ-CD2 3.99Å; F564-W569 AromaticContact CZ-CE2 2.97Å; F564-W569 AromaticContact CZ-CH2 3.96Å; F564-W569 HydrophobicContact CZ-CH2 3.96Å; F564-W569 AromaticContact CZ-CZ2 2.99Å; F564-W569 HydrophobicContact CZ-CZ2 2.99Å; F564-W569 AromaticContact CZ-NE1 2.9Å; F564-W584 HydrophobicContact CD1-CZ2 4.11Å; F564-W584 AromaticContact CE1-CH2 3.49Å; F564-W584 HydrophobicContact CE1-CH2 3.49Å; F564-W584 VanDerWaalsContact CE1-CH2 3.49Å; F564-W584 AromaticContact CE1-CZ2 3.21Å; F564-W584 HydrophobicContact CE1-CZ2 3.21Å; F564-W584 HydrophobicContact CE2-CZ2 4.32Å; F564-W584 AromaticContact CZ-CE2 3.78Å; F564-W584 AromaticContact CZ-CH2 3.64Å; F564-W584 HydrophobicContact CZ-CH2 3.64Å; F564-W584 AromaticContact CZ-CZ2 3.23Å; F564-W584 HydrophobicContact CZ-CZ2 3.23Å; F564-W584 HydrophobicContact CZ-CZ3 4.44Å |
| 565 | N | 45.4 | Very low | 46.1 | Very low | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -27.1 | 172.7 | -85.3 | -3.9 | 0 | 0 | 0 | 111.2 | F561 | F561-N565 VanDerWaalsContact CE1-ND2 3.25Å; F561-N565 WeakPolarHBondContact CE1-ND2 3.22Å; F561-N565 PolarHBondContact O-N 3.09Å |
| 566 | A | 41.6 | Very low | 45.8 | Very low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.8 | -24.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A562 L563 F564 F651 V653 Q656 | A562-A566 WeakPolarHBondContact O-CB 3.34Å; A562-A566 PolarHBondContact O-N 2.88Å; L563-A566 CarbonylContact O-C 3.59Å; L563-A566 WeakPolarHBondContact O-CB 3.34Å; L563-A566 PolarHBondContact O-N 3.2Å; L563-A566 VanDerWaalsContact O-N 3.13Å; F564-A566 PolarHBondContact O-N 3.15Å; A566-F651 VanDerWaalsContact O-CZ 3.26Å; A566-F651 WeakPolarHBondContact O-CZ 3.08Å; A566-V653 HydrophobicContact CB-CB 4.28Å; A566-V653 HydrophobicContact CB-CG1 3.89Å; A566-V653 HydrophobicContact CB-CG2 3.79Å; A566-Q656 HydrophobicContact CB-CG 4.47Å |
| 567 | T | 43.2 | Very low | 45.8 | Very low | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -101.5 | -18.5 | -175.1 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | L529 K530 L563 F564 | L529-T567 HydrophobicContact CB-CG2 3.97Å; K530-T567 HydrophobicContact CG-CG2 4.12Å; L563-T567 WeakPolarHBondContact O-CG2 3.34Å; L563-T567 PolarHBondContact O-N 3.31Å; L563-T567 PolarHBondContact O-OG1 3.46Å; F564-T567 PolarHBondContact O-N 3.08Å |
| 568 | G | 45.3 | Very low | 45.8 | Very low | 41 Ų | 41 | 59.6 Ų | 59.6 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | trans | 72.6 | 168.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F564 | F564-G568 PolarHBondContact O-N 2.97Š| ||
| 569 | W | 45.4 | Very low | 45.5 | Very low | 63 Ų | 63 | 65 Ų | 65 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -104.2 | -10.6 | -163.7 | -92.5 | 95.5 | 0 | 0 | 0 | 115.5 | F564 E571 F572 L720 A721 | F564-W569 HydrophobicContact CD2-CD2 4.44Å; F564-W569 HydrophobicContact CD2-CZ2 4.46Å; F564-W569 AromaticContact CE1-CE2 3.88Å; F564-W569 HydrophobicContact CE1-CZ2 4.17Å; F564-W569 AromaticContact CE1-NE1 3.3Å; F564-W569 VanDerWaalsContact CE1-NE1 3.3Å; F564-W569 AromaticContact CE2-CD2 3.66Å; F564-W569 HydrophobicContact CE2-CD2 3.66Å; F564-W569 AromaticContact CE2-CE2 3.07Å; F564-W569 HydrophobicContact CE2-CE3 4.16Å; F564-W569 HydrophobicContact CE2-CG 4.35Å; F564-W569 AromaticContact CE2-CH2 3.7Å; F564-W569 HydrophobicContact CE2-CH2 3.7Å; F564-W569 AromaticContact CE2-CZ2 3.14Å; F564-W569 HydrophobicContact CE2-CZ2 3.14Å; F564-W569 HydrophobicContact CE2-CZ3 4.17Å; F564-W569 AromaticContact CE2-NE1 3.36Å; F564-W569 AromaticContact CZ-CD1 3.95Å; F564-W569 AromaticContact CZ-CD2 3.99Å; F564-W569 HydrophobicContact CZ-CD2 3.99Å; F564-W569 AromaticContact CZ-CE2 2.97Å; F564-W569 AromaticContact CZ-CH2 3.96Å; F564-W569 HydrophobicContact CZ-CH2 3.96Å; F564-W569 AromaticContact CZ-CZ2 2.99Å; F564-W569 HydrophobicContact CZ-CZ2 2.99Å; F564-W569 AromaticContact CZ-NE1 2.9Å; W569-E571 PolarHBondContact O-N 2.93Å; W569-F572 HydrophobicContact CE3-CB 4.16Å; W569-F572 HydrophobicContact CE3-CD2 4.27Å; W569-F572 PolarHBondContact O-N 3.42Å; W569-F572 VanDerWaalsContact O-N 3.07Å; W569-L720 HydrophobicContact CB-CB 3.1Å; W569-L720 HydrophobicContact CB-CD1 3.64Å; W569-L720 HydrophobicContact CB-CD2 3.78Å; W569-L720 HydrophobicContact CB-CG 3.65Å; W569-L720 HydrophobicContact CD2-CB 3.61Å; W569-L720 HydrophobicContact CD2-CD2 4.01Å; W569-L720 HydrophobicContact CD2-CG 4.4Å; W569-L720 HydrophobicContact CE3-CB 3.93Å; W569-L720 HydrophobicContact CE3-CD2 3.43Å; W569-L720 VanDerWaalsContact CE3-CD2 3.43Å; W569-L720 HydrophobicContact CE3-CG 4.28Å; W569-L720 HydrophobicContact CG-CB 3.35Å; W569-L720 HydrophobicContact CG-CD2 4.25Å; W569-L720 HydrophobicContact CG-CG 4.26Å; W569-L720 HydrophobicContact CZ3-CD2 4.2Å; W569-L720 WeakPolarHBondContact O-CD2 3.36Å; W569-A721 HydrophobicContact CH2-CB 4.23Å; W569-A721 HydrophobicContact CZ2-CB 3.27Å |
| 570 | E | 43.1 | Very low | 45.4 | Very low | 161 Ų | 161 | 63.9 Ų | 63.9 | 75% | 0.752 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -20.1 | -166.3 | -72.2 | -174.8 | 160.5 | 0 | 0 | 115.3 | ||
| 571 | E | 44.8 | Very low | 45.2 | Very low | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -2.1 | -177.6 | -71.3 | -175.3 | -152.1 | 0 | 0 | 115.6 | K530 W569 | K530-E571 IonicContact NZ-OE1 2.71Å; K530-E571 PolarHBondContact NZ-OE1 3.15Å; W569-E571 PolarHBondContact O-N 2.93Å |
| 572 | F | 46.5 | Very low | 45 | Very low | 23 Ų | 23 | 69.6 Ų | 69.6 | 10% | 0.101 | 37% | 0.369 | C | S | . | . | trans | -95.2 | 6.1 | -179 | -63.1 | -67.5 | 0 | 0 | 0 | 114.5 | K534 W569 H574 I575 | K534-F572 HydrophobicContact CB-CE1 4.45Å; K534-F572 HydrophobicContact CG-CE1 4.43Å; W569-F572 HydrophobicContact CE3-CB 4.16Å; W569-F572 HydrophobicContact CE3-CD2 4.27Å; W569-F572 PolarHBondContact O-N 3.42Å; W569-F572 VanDerWaalsContact O-N 3.07Å; F572-H574 PolarHBondContact O-N 3.36Å; F572-I575 HydrophobicContact CB-CD1 4.37Å; F572-I575 HydrophobicContact CD1-CD1 3.49Å; F572-I575 VanDerWaalsContact CD1-CD1 3.49Å; F572-I575 HydrophobicContact CD1-CG1 4.34Å; F572-I575 HydrophobicContact CE1-CD1 4.22Å; F572-I575 HydrophobicContact CG-CD1 4.33Å; F572-I575 PolarHBondContact O-N 3.3Å | ||
| 573 | D | 44.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 71.9 Ų | 71.9 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -18.9 | 177.8 | -85.2 | -4.5 | 0 | 0 | 0 | 114.5 | ||
| 574 | H | 47.9 | Very low | 44.7 | Very low | 168 Ų | 168 | 73.8 Ų | 73.8 | 78% | 0.778 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 3.8 | -178.9 | -59.3 | -31.3 | 0 | 0 | 0 | 114.9 | F572 P576 | F572-H574 PolarHBondContact O-N 3.36Å; H574-P576 VanDerWaalsContact O-CD 3.24Å; H574-P576 WeakPolarHBondContact O-CD 3.46Å |
| 575 | I | 46.4 | Very low | 44.7 | Very low | 46 Ų | 46 | 74.8 Ų | 74.8 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | trans | -87 | 106.6 | 174.1 | -57.9 | -174.5 | 0 | 0 | 0 | 108.7 | L541 F572 S577 L580 | L541-I575 HydrophobicContact CD1-CD1 4.39Å; L541-I575 HydrophobicContact CD1-CG2 4.12Å; F572-I575 HydrophobicContact CB-CD1 4.37Å; F572-I575 HydrophobicContact CD1-CD1 3.49Å; F572-I575 VanDerWaalsContact CD1-CD1 3.49Å; F572-I575 HydrophobicContact CD1-CG1 4.34Å; F572-I575 HydrophobicContact CE1-CD1 4.22Å; F572-I575 HydrophobicContact CG-CD1 4.33Å; F572-I575 PolarHBondContact O-N 3.3Å; I575-S577 PolarHBondContact O-N 3.42Å; I575-L580 HydrophobicContact CG2-CD1 3.54Å | ||
| 576 | P | 38.9 | Very low | 44.7 | Very low | 123 Ų | 123 | 77.7 Ų | 77.7 | 80% | 0.799 | 41% | 0.408 | S | S | * | . | trans | -93.7 | 93.6 | -174.1 | 32.1 | -18.9 | 0 | 0 | 0 | 109.2 | H574 | H574-P576 VanDerWaalsContact O-CD 3.24Å; H574-P576 WeakPolarHBondContact O-CD 3.46Å | ||
| 577 | S | 48.1 | Very low | 44.9 | Very low | 44 Ų | 44 | 82.6 Ų | 82.6 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | trans | -161.5 | 121.3 | 148.8 | 65 | 0 | 0 | 0 | 0 | 112.2 | I575 E579 L580 | I575-S577 PolarHBondContact O-N 3.42Å; S577-E579 PolarHBondContact O-N 2.73Å; S577-E579 VanDerWaalsContact O-N 3.15Å; S577-L580 PolarHBondContact O-N 3.41Å; S577-L580 VanDerWaalsContact O-N 3.11Å; S577-L580 WeakPolarHBondContact OG-CD1 3.3Å; S577-L580 VanDerWaalsContact OG-CG 3.25Å; S577-L580 WeakPolarHBondContact OG-CG 2.95Å; S577-L580 PolarHBondContact OG-N 3.11Å | ||
| 578 | N | 47.5 | Very low | 45.2 | Very low | 132 Ų | 132 | 82.9 Ų | 82.9 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57 | -22.5 | 166 | -73.9 | -25.4 | 0 | 0 | 0 | 112 | L581 N582 | N578-L581 PolarHBondContact O-N 3.12Å; N578-N582 PolarHBondContact O-N 2.77Å; N578-N582 VanDerWaalsContact O-N 3.08Å; N578-N582 PolarHBondContact O-ND2 3.3Å |
| 579 | E | 43.6 | Very low | 45.4 | Very low | 138 Ų | 138 | 86.6 Ų | 86.6 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 173.6 | -74.3 | -172.5 | 147.1 | 0 | 0 | 112.9 | S577 L581 N582 I583 | S577-E579 PolarHBondContact O-N 2.73Å; S577-E579 VanDerWaalsContact O-N 3.15Å; E579-L581 VanDerWaalsContact C-N 3.33Å; E579-L581 PolarHBondContact O-N 3.05Å; E579-N582 PolarHBondContact O-N 3.02Å; E579-I583 WeakPolarHBondContact O-CB 3.36Å; E579-I583 WeakPolarHBondContact O-CD1 3.06Å; E579-I583 WeakPolarHBondContact O-CG1 3.41Å; E579-I583 PolarHBondContact O-N 3.47Å |
| 580 | L | 44 | Very low | 45.5 | Very low | 45 Ų | 45 | 88.5 Ų | 88.5 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.6 | -80.4 | 161 | 0 | 0 | 0 | 111 | L541 I575 S577 N582 I583 W584 | L541-L580 HydrophobicContact CD2-CD1 3.44Å; L541-L580 VanDerWaalsContact CD2-CD1 3.44Å; L541-L580 HydrophobicContact CD2-CD2 3.44Å; L541-L580 VanDerWaalsContact CD2-CD2 3.44Å; L541-L580 HydrophobicContact CD2-CG 3.86Å; I575-L580 HydrophobicContact CG2-CD1 3.54Å; S577-L580 PolarHBondContact O-N 3.41Å; S577-L580 VanDerWaalsContact O-N 3.11Å; S577-L580 WeakPolarHBondContact OG-CD1 3.3Å; S577-L580 VanDerWaalsContact OG-CG 3.25Å; S577-L580 WeakPolarHBondContact OG-CG 2.95Å; S577-L580 PolarHBondContact OG-N 3.11Å; L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 PolarHBondContact O-N 2.85Å; L580-I583 PolarHBondContact O-N 3.28Å; L580-W584 VanDerWaalsContact O-CB 3.24Å; L580-W584 WeakPolarHBondContact O-CB 3.42Å; L580-W584 PolarHBondContact O-N 3.13Å |
| 581 | L | 44.4 | Very low | 45.9 | Very low | 63 Ų | 63 | 82.5 Ų | 82.5 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 178.6 | -152.3 | 75.9 | 0 | 0 | 0 | 110.6 | N578 E579 W584 V585 A721 | N578-L581 PolarHBondContact O-N 3.12Å; E579-L581 VanDerWaalsContact C-N 3.33Å; E579-L581 PolarHBondContact O-N 3.05Å; L581-W584 PolarHBondContact O-N 2.8Å; L581-V585 VanDerWaalsContact O-CG2 3.25Å; L581-V585 WeakPolarHBondContact O-CG2 3.34Å; L581-V585 PolarHBondContact O-N 2.88Å; L581-A721 VanDerWaalsContact CD1-O 3.27Å; L581-A721 WeakPolarHBondContact CD1-O 3.45Å |
| 582 | N | 44.2 | Very low | 46.2 | Very low | 94 Ų | 94 | 80.1 Ų | 80.1 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | -178.9 | -70.6 | -21.1 | 0 | 0 | 0 | 113.2 | N578 E579 L580 W584 V585 N586 | N578-N582 PolarHBondContact O-N 2.77Å; N578-N582 VanDerWaalsContact O-N 3.08Å; N578-N582 PolarHBondContact O-ND2 3.3Å; E579-N582 PolarHBondContact O-N 3.02Å; L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 PolarHBondContact O-N 2.85Å; N582-W584 VanDerWaalsContact C-N 3.29Å; N582-W584 PolarHBondContact O-N 3.33Å; N582-V585 PolarHBondContact O-N 3Å; N582-N586 WeakPolarHBondContact O-CB 3.38Å; N582-N586 PolarHBondContact O-N 3.43Å; N582-N586 PolarHBondContact O-ND2 3.39Å |
| 583 | I | 41.5 | Very low | 46.4 | Very low | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.3 | -69.2 | 166.2 | 0 | 0 | 0 | 110.1 | Y544 E579 L580 N586 K587 | Y544-I583 HydrophobicContact CE1-CD1 4.49Å; E579-I583 WeakPolarHBondContact O-CB 3.36Å; E579-I583 WeakPolarHBondContact O-CD1 3.06Å; E579-I583 WeakPolarHBondContact O-CG1 3.41Å; E579-I583 PolarHBondContact O-N 3.47Å; L580-I583 PolarHBondContact O-N 3.28Å; I583-N586 PolarHBondContact O-N 2.99Å; I583-K587 WeakPolarHBondContact O-CG 3.21Å; I583-K587 PolarHBondContact O-N 2.99Å |
| 584 | W | 45.9 | Very low | 46.8 | Very low | 54 Ų | 54 | 75.4 Ų | 75.4 | 21% | 0.205 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 179 | -151.3 | 83.9 | 0 | 0 | 0 | 111.7 | F561 F564 L580 L581 N582 N586 K587 R588 A721 | F561-W584 HydrophobicContact CD2-CH2 4.21Å; F561-W584 AromaticContact CD2-CZ2 3.41Å; F561-W584 HydrophobicContact CD2-CZ2 3.41Å; F561-W584 VanDerWaalsContact CD2-CZ2 3.41Å; F561-W584 AromaticContact CE2-CH2 3.61Å; F561-W584 HydrophobicContact CE2-CH2 3.61Å; F561-W584 AromaticContact CE2-CZ2 3.28Å; F561-W584 HydrophobicContact CE2-CZ2 3.28Å; F561-W584 HydrophobicContact CZ-CZ2 4.45Å; F564-W584 HydrophobicContact CD1-CZ2 4.11Å; F564-W584 AromaticContact CE1-CH2 3.49Å; F564-W584 HydrophobicContact CE1-CH2 3.49Å; F564-W584 VanDerWaalsContact CE1-CH2 3.49Å; F564-W584 AromaticContact CE1-CZ2 3.21Å; F564-W584 HydrophobicContact CE1-CZ2 3.21Å; F564-W584 HydrophobicContact CE2-CZ2 4.32Å; F564-W584 AromaticContact CZ-CE2 3.78Å; F564-W584 AromaticContact CZ-CH2 3.64Å; F564-W584 HydrophobicContact CZ-CH2 3.64Å; F564-W584 AromaticContact CZ-CZ2 3.23Å; F564-W584 HydrophobicContact CZ-CZ2 3.23Å; F564-W584 HydrophobicContact CZ-CZ3 4.44Å; L580-W584 VanDerWaalsContact O-CB 3.24Å; L580-W584 WeakPolarHBondContact O-CB 3.42Å; L580-W584 PolarHBondContact O-N 3.13Å; L581-W584 PolarHBondContact O-N 2.8Å; N582-W584 VanDerWaalsContact C-N 3.29Å; N582-W584 PolarHBondContact O-N 3.33Å; W584-N586 VanDerWaalsContact C-N 3.29Å; W584-N586 PolarHBondContact O-N 3.23Å; W584-K587 PolarHBondContact O-N 3.49Å; W584-K587 VanDerWaalsContact O-N 3.15Å; W584-R588 PolarHBondContact O-N 3.21Å; W584-A721 HydrophobicContact CE3-CB 4.4Å; W584-A721 HydrophobicContact CZ3-CB 3.98Å |
| 585 | V | 46 | Very low | 46.9 | Very low | 31 Ų | 31 | 67.8 Ų | 67.8 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | L581 N582 K587 R588 | L581-V585 VanDerWaalsContact O-CG2 3.25Å; L581-V585 WeakPolarHBondContact O-CG2 3.34Å; L581-V585 PolarHBondContact O-N 2.88Å; N582-V585 PolarHBondContact O-N 3Å; V585-K587 PolarHBondContact O-N 3.18Å; V585-R588 VanDerWaalsContact O-CD 3.32Å; V585-R588 WeakPolarHBondContact O-CD 3.46Å; V585-R588 WeakPolarHBondContact O-CG 3.35Å; V585-R588 PolarHBondContact O-NE 3.23Å |
| 586 | N | 46.3 | Very low | 47.2 | Very low | 125 Ų | 125 | 65.9 Ų | 65.9 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.8 | -28.3 | 178.8 | -75.9 | -24.7 | 0 | 0 | 0 | 113.8 | N582 I583 W584 | N582-N586 WeakPolarHBondContact O-CB 3.38Å; N582-N586 PolarHBondContact O-N 3.43Å; N582-N586 PolarHBondContact O-ND2 3.39Å; I583-N586 PolarHBondContact O-N 2.99Å; W584-N586 VanDerWaalsContact C-N 3.29Å; W584-N586 PolarHBondContact O-N 3.23Å |
| 587 | K | 45 | Very low | 47.7 | Very low | 103 Ų | 103 | 62.8 Ų | 62.8 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -92.3 | -11.9 | -179.3 | -65.3 | -64.5 | -178.2 | -170.2 | 0 | 113.8 | L557 I583 W584 V585 N589 I590 | L557-K587 HydrophobicContact CD2-CB 4.46Å; I583-K587 WeakPolarHBondContact O-CG 3.21Å; I583-K587 PolarHBondContact O-N 2.99Å; W584-K587 PolarHBondContact O-N 3.49Å; W584-K587 VanDerWaalsContact O-N 3.15Å; V585-K587 PolarHBondContact O-N 3.18Å; K587-N589 PolarHBondContact O-N 2.82Å; K587-I590 HydrophobicContact CD-CD1 3.79Å; K587-I590 PolarHBondContact O-N 2.8Å |
| 588 | R | 49.7 | Very low | 47.7 | Very low | 21 Ų | 21 | 62.2 Ų | 62.2 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.5 | -179.3 | 82.4 | -168.7 | 169 | 161.7 | 0.4 | 114.6 | W584 V585 L626 F628 V631 | W584-R588 PolarHBondContact O-N 3.21Å; V585-R588 VanDerWaalsContact O-CD 3.32Å; V585-R588 WeakPolarHBondContact O-CD 3.46Å; V585-R588 WeakPolarHBondContact O-CG 3.35Å; V585-R588 PolarHBondContact O-NE 3.23Å; R588-L626 WeakPolarHBondContact O-CD1 3.39Å; R588-F628 HydrophobicContact CB-CD2 4.28Å; R588-F628 HydrophobicContact CB-CE2 3.96Å; R588-F628 HydrophobicContact CB-CZ 4.33Å; R588-F628 HydrophobicContact CG-CD2 4.11Å; R588-F628 HydrophobicContact CG-CE2 4.28Å; R588-F628 HydrophobicContact CG-CG 4.41Å; R588-V631 PolarHBondContact NH2-O 3.38Å |
| 589 | N | 49.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.7 | 178.3 | -68 | -15.1 | 0 | 0 | 0 | 113.3 | K587 | K587-N589 PolarHBondContact O-N 2.82Š|
| 590 | I | 48.3 | Very low | 47.9 | Very low | 104 Ų | 104 | 59 Ų | 59 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | trans | -100.8 | 96.9 | 179.1 | -53.9 | 179.3 | 0 | 0 | 0 | 108.2 | K587 P592 | K587-I590 HydrophobicContact CD-CD1 3.79Å; K587-I590 PolarHBondContact O-N 2.8Å; I590-P592 VanDerWaalsContact O-CD 3.29Å; I590-P592 WeakPolarHBondContact O-CD 3.27Å | ||
| 591 | V | 52 | Low | 48.1 | Very low | 35 Ų | 35 | 61.5 Ų | 61.5 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | trans | -93.5 | 107.1 | 174.9 | -157 | 0 | 0 | 0 | 0 | 108.8 | P623 L626 Y661 | V591-P623 HydrophobicContact CG1-CB 3.83Å; V591-P623 HydrophobicContact CG1-CG 3.57Å; V591-L626 HydrophobicContact CG1-CD1 4.43Å; V591-L626 HydrophobicContact CG1-CG 4.36Å; V591-L626 HydrophobicContact CG2-CB 4.13Å; V591-L626 HydrophobicContact CG2-CD1 3.64Å; V591-L626 HydrophobicContact CG2-CG 3.59Å; V591-Y661 WeakPolarHBondContact CG1-OH 3.47Å | ||
| 592 | P | 49.8 | Very low | 48.2 | Very low | 36 Ų | 36 | 63.9 Ų | 63.9 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 137.8 | 178.3 | 26.7 | -33.4 | 0 | 0 | 0 | 110.4 | L558 I590 Y661 | L558-P592 HydrophobicContact CD1-CG 3.76Å; L558-P592 HydrophobicContact CD2-CG 4.33Å; L558-P592 HydrophobicContact CG-CG 4.46Å; I590-P592 VanDerWaalsContact O-CD 3.29Å; I590-P592 WeakPolarHBondContact O-CD 3.27Å; P592-Y661 WeakPolarHBondContact CD-OH 3.29Å; P592-Y661 WeakPolarHBondContact CG-OH 2.94Å; P592-Y661 PolarHBondContact O-OH 3.16Å |
| 593 | P | 51.5 | Low | 48 | Very low | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -68 | 148.8 | 169.8 | 29.1 | -32.7 | 0 | 0 | 0 | 110.8 | L620 V621 | P593-L620 HydrophobicContact CB-CD1 3.81Å; P593-L620 HydrophobicContact CB-CG 4.39Å; P593-L620 HydrophobicContact CG-CD1 4.28Å; P593-V621 WeakPolarHBondContact CA-O 3.31Å |
| 594 | L | 52.4 | Low | 48 | Very low | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142.7 | 174 | -67.9 | 172.7 | 0 | 0 | 0 | 110 | L558 L620 V621 Y661 | L558-L594 HydrophobicContact CD2-CD2 3.98Å; L594-L620 CarbonylContact O-C 3.54Å; L594-L620 WeakPolarHBondContact O-CA 3.43Å; L594-V621 HydrophobicContact CB-CB 4.39Å; L594-V621 PolarHBondContact N-O 2.95Å; L594-V621 PolarHBondContact O-N 3.06Å; L594-Y661 HydrophobicContact CD1-CD1 3.31Å; L594-Y661 HydrophobicContact CD1-CE1 3.65Å; L594-Y661 HydrophobicContact CD1-CG 4.36Å; L594-Y661 HydrophobicContact CD2-CE1 4.28Å; L594-Y661 HydrophobicContact CG-CD1 3.95Å; L594-Y661 HydrophobicContact CG-CE1 3.72Å |
| 595 | V | 51.1 | Low | 47.8 | Very low | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.1 | 163.6 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | Q597 E618 F619 L620 F806 C807 I809 | V595-Q597 HydrophobicContact CG1-CG 4.38Å; V595-E618 HydrophobicContact CG1-CB 4.15Å; V595-F619 CarbonylContact C-O 3.59Å; V595-F619 VanDerWaalsContact CA-O 3.26Å; V595-F619 WeakPolarHBondContact CA-O 3.24Å; V595-L620 HydrophobicContact CG2-CD1 3.63Å; V595-F806 WeakPolarHBondContact O-CD1 3.26Å; V595-C807 VanDerWaalsContact CB-O 3.3Å; V595-C807 WeakPolarHBondContact CB-O 3.36Å; V595-C807 VanDerWaalsContact CG2-O 3.31Å; V595-C807 WeakPolarHBondContact CG2-O 3.3Å; V595-I809 HydrophobicContact CG2-CD1 4.1Å; V595-I809 HydrophobicContact CG2-CG1 4.2Å |
| 596 | I | 52.4 | Low | 47.7 | Very low | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.2 | 177.3 | -44.7 | -166 | 0 | 0 | 0 | 108.5 | V598 E618 F619 V621 W798 F806 | I596-V598 HydrophobicContact CG2-CG2 4.27Å; I596-E618 CarbonylContact O-C 3.6Å; I596-E618 WeakPolarHBondContact O-CA 3.44Å; I596-F619 HydrophobicContact CB-CB 4.23Å; I596-F619 HydrophobicContact CB-CD2 4.45Å; I596-F619 PolarHBondContact N-O 3.36Å; I596-F619 PolarHBondContact O-N 3.26Å; I596-V621 HydrophobicContact CD1-CG2 3.76Å; I596-V621 HydrophobicContact CG1-CG2 3.89Å; I596-W798 HydrophobicContact CD1-CH2 4.1Å; I596-W798 HydrophobicContact CG2-CH2 4.28Å; I596-W798 HydrophobicContact CG2-CZ3 4.35Å; I596-F806 HydrophobicContact CB-CE1 3.91Å; I596-F806 HydrophobicContact CG1-CD1 4.48Å; I596-F806 HydrophobicContact CG1-CE1 3.84Å; I596-F806 HydrophobicContact CG2-CE1 3.79Å; I596-F806 HydrophobicContact CG2-CZ 4.09Å |
| 597 | Q | 48.9 | Very low | 47.6 | Very low | 57 Ų | 57 | 73.3 Ų | 73.3 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.4 | 175.7 | -58.1 | -176.2 | -24.2 | 0 | 0 | 110.3 | V595 I616 L617 E618 D805 | V595-Q597 HydrophobicContact CG1-CG 4.38Å; Q597-I616 HydrophobicContact CB-CG2 3.81Å; Q597-I616 HydrophobicContact CG-CG2 4.32Å; Q597-L617 CarbonylContact C-O 3.51Å; Q597-L617 WeakPolarHBondContact CA-O 3.45Å; Q597-E618 HydrophobicContact CG-CG 4.01Å; Q597-E618 PolarHBondContact NE2-OE1 2.71Å; Q597-D805 VanDerWaalsContact CB-O 3.3Å; Q597-D805 WeakPolarHBondContact CB-O 3.32Å; Q597-D805 WeakPolarHBondContact CG-O 3.22Å; Q597-D805 PolarHBondContact N-O 2.93Å |
| 598 | V | 49 | Very low | 47.7 | Very low | 33 Ų | 33 | 75.6 Ų | 75.6 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.1 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I596 L600 L617 F619 L792 | I596-V598 HydrophobicContact CG2-CG2 4.27Å; V598-L600 HydrophobicContact CG1-CD2 4.29Å; V598-L600 PolarHBondContact O-N 2.81Å; V598-L617 HydrophobicContact CB-CB 4.48Å; V598-L617 PolarHBondContact N-O 2.65Å; V598-L617 PolarHBondContact O-N 3.05Å; V598-F619 HydrophobicContact CB-CE2 4.4Å; V598-F619 HydrophobicContact CG2-CD2 4.24Å; V598-F619 HydrophobicContact CG2-CE2 3.87Å; V598-L792 HydrophobicContact CG1-CD1 4.19Å; V598-L792 HydrophobicContact CG2-CD1 4.49Å |
| 599 | R | 47.3 | Very low | 47.5 | Very low | 164 Ų | 164 | 78.9 Ų | 78.9 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115 | 175.1 | -177.9 | 178.5 | -94.1 | -179.7 | -5.7 | 109.7 | T601 H614 | R599-T601 HydrophobicContact CG-CG2 4.41Å; R599-H614 HydrophobicContact CG-CB 4.35Å |
| 600 | L | 47.2 | Very low | 47.3 | Very low | 39 Ų | 39 | 81.1 Ų | 81.1 | 20% | 0.204 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106.2 | 178.6 | -58 | 166.6 | 0 | 0 | 0 | 109.2 | V598 F603 F615 L617 | V598-L600 HydrophobicContact CG1-CD2 4.29Å; V598-L600 PolarHBondContact O-N 2.81Å; L600-F603 HydrophobicContact CB-CD2 3.88Å; L600-F603 HydrophobicContact CB-CE2 4.21Å; L600-F603 HydrophobicContact CD1-CD2 4.02Å; L600-F603 HydrophobicContact CD1-CE2 3.64Å; L600-F603 HydrophobicContact CD2-CE2 4.49Å; L600-F603 HydrophobicContact CG-CD2 4.48Å; L600-F603 HydrophobicContact CG-CE2 4.33Å; L600-F615 HydrophobicContact CB-CB 4.3Å; L600-F615 WeakPolarHBondContact CB-O 3.44Å; L600-F615 HydrophobicContact CD1-CB 4.25Å; L600-F615 PolarHBondContact N-O 3.15Å; L600-L617 HydrophobicContact CD1-CB 3.85Å; L600-L617 HydrophobicContact CD1-CD2 4.34Å; L600-L617 HydrophobicContact CG-CB 4.29Å |
| 601 | T | 47.7 | Very low | 47.1 | Very low | 97 Ų | 97 | 81.4 Ų | 81.4 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | trans | -86.2 | -18.4 | -175.5 | 48.5 | 0 | 0 | 0 | 0 | 114 | R599 | R599-T601 HydrophobicContact CG-CG2 4.41Š| ||
| 602 | E | 45.8 | Very low | 46.7 | Very low | 112 Ų | 112 | 90.9 Ų | 90.9 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | trans | -113.7 | 20.2 | -167.7 | -64.8 | -166 | 173.6 | 0 | 0 | 115.7 | T604 | E602-T604 PolarHBondContact O-N 2.5Š| ||
| 603 | F | 40.7 | Very low | 46.4 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | trans | -75.7 | 56.5 | 165.9 | -86.8 | -89.1 | 0 | 0 | 0 | 111 | L600 L606 F615 L786 | L600-F603 HydrophobicContact CB-CD2 3.88Å; L600-F603 HydrophobicContact CB-CE2 4.21Å; L600-F603 HydrophobicContact CD1-CD2 4.02Å; L600-F603 HydrophobicContact CD1-CE2 3.64Å; L600-F603 HydrophobicContact CD2-CE2 4.49Å; L600-F603 HydrophobicContact CG-CD2 4.48Å; L600-F603 HydrophobicContact CG-CE2 4.33Å; F603-L606 HydrophobicContact CD1-CD1 3.8Å; F603-L606 HydrophobicContact CE1-CD1 4.49Å; F603-F615 HydrophobicContact CB-CD2 3.91Å; F603-F615 HydrophobicContact CB-CE2 4.2Å; F603-F615 HydrophobicContact CG-CD2 4.47Å; F603-L786 HydrophobicContact CE2-CD1 4.25Å | ||
| 604 | T | 40.9 | Very low | 46.3 | Very low | 118 Ų | 118 | 97.8 Ų | 97.8 | 72% | 0.724 | 49% | 0.494 | S | S | * | . | trans | -90.4 | -1.9 | -179.6 | 45 | 0 | 0 | 0 | 0 | 114.2 | E602 | E602-T604 PolarHBondContact O-N 2.5Š| ||
| 605 | N | 41.9 | Very low | 46.1 | Very low | 159 Ų | 159 | 100.7 Ų | 100.7 | 85% | 0.85 | 51% | 0.506 | S | S | * | . | trans | -109.8 | 15.8 | 178.1 | -101.6 | -0.9 | 0 | 0 | 0 | 115.3 | S607 | N605-S607 PolarHBondContact O-N 2.71Å; N605-S607 VanDerWaalsContact O-N 3.11Å | ||
| 606 | L | 43.9 | Very low | 46 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | trans | -81.5 | 79.3 | 158.6 | -78.2 | 163.5 | 0 | 0 | 0 | 107.5 | F603 I608 I609 | F603-L606 HydrophobicContact CD1-CD1 3.8Å; F603-L606 HydrophobicContact CE1-CD1 4.49Å; L606-I608 PolarHBondContact O-N 3.43Å; L606-I609 PolarHBondContact O-N 3.11Å | ||
| 607 | S | 44.8 | Very low | 45.7 | Very low | 107 Ų | 107 | 107.3 Ų | 107.3 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 7.4 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | N605 | N605-S607 PolarHBondContact O-N 2.71Å; N605-S607 VanDerWaalsContact O-N 3.11Å |
| 608 | I | 46.7 | Very low | 45.7 | Very low | 151 Ų | 151 | 109.4 Ų | 109.4 | 77% | 0.774 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -13.8 | -176.2 | -59.5 | 172.5 | 0 | 0 | 0 | 111.7 | L606 | L606-I608 PolarHBondContact O-N 3.43Š|
| 609 | I | 45.3 | Very low | 45.8 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 46% | 0.456 | 55% | 0.552 | S | S | . | * | trans | -118.7 | 96.9 | -178.4 | -52.7 | 176.8 | 0 | 0 | 0 | 108.5 | L606 D611 F615 | L606-I609 PolarHBondContact O-N 3.11Å; I609-D611 HydrophobicContact CG2-CB 4.44Å; I609-D611 PolarHBondContact O-N 2.75Å; I609-D611 VanDerWaalsContact O-N 3.1Å; I609-F615 HydrophobicContact CD1-CZ 4.32Å | ||
| 610 | N | 45.2 | Very low | 46.1 | Very low | 165 Ų | 165 | 106.5 Ų | 106.5 | 88% | 0.882 | 54% | 0.543 | S | S | * | . | trans | -66.2 | -3.7 | -179.6 | -93.6 | -18 | 0 | 0 | 0 | 114.7 | ||||
| 611 | D | 44.2 | Very low | 46.5 | Very low | 111 Ų | 111 | 105.3 Ų | 105.3 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -90.3 | 126.3 | 169.6 | -75.4 | -33.1 | 0 | 0 | 0 | 109.3 | I609 N613 | I609-D611 HydrophobicContact CG2-CB 4.44Å; I609-D611 PolarHBondContact O-N 2.75Å; I609-D611 VanDerWaalsContact O-N 3.1Å; D611-N613 HydrophobicContact CB-CB 4.43Å; D611-N613 VanDerWaalsContact CB-ND2 3.29Å; D611-N613 WeakPolarHBondContact CB-ND2 3.39Å; D611-N613 PolarHBondContact O-N 3.35Å |
| 612 | R | 43.9 | Very low | 47.1 | Very low | 234 Ų | 234 | 105.8 Ų | 105.8 | 88% | 0.883 | 53% | 0.532 | S | S | * | . | trans | -65 | 47.3 | 169 | -63.1 | -179.3 | -179.6 | 178.6 | 0.1 | 111.4 | H614 | R612-H614 PolarHBondContact O-N 2.98Å; R612-H614 VanDerWaalsContact O-N 3.16Å; R612-H614 PolarHBondContact O-ND1 2.87Å; R612-H614 VanDerWaalsContact O-ND1 3.1Å | ||
| 613 | N | 44.1 | Very low | 47.7 | Very low | 94 Ų | 94 | 101.2 Ų | 101.2 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -71.3 | 111.3 | -179.2 | -76.3 | -20.3 | 0 | 0 | 0 | 107.2 | D611 F615 | D611-N613 HydrophobicContact CB-CB 4.43Å; D611-N613 VanDerWaalsContact CB-ND2 3.29Å; D611-N613 WeakPolarHBondContact CB-ND2 3.39Å; D611-N613 PolarHBondContact O-N 3.35Å; N613-F615 VanDerWaalsContact O-CD2 3.31Å; N613-F615 WeakPolarHBondContact O-CD2 3.35Å; N613-F615 WeakPolarHBondContact O-CE2 3.37Å; N613-F615 PolarHBondContact O-N 3.09Å | ||
| 614 | H | 49.4 | Very low | 48.4 | Very low | 113 Ų | 113 | 98.1 Ų | 98.1 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 117.9 | 171 | -62.9 | 63.3 | 0 | 0 | 0 | 106.5 | R599 R612 | R599-H614 HydrophobicContact CG-CB 4.35Å; R612-H614 PolarHBondContact O-N 2.98Å; R612-H614 VanDerWaalsContact O-N 3.16Å; R612-H614 PolarHBondContact O-ND1 2.87Å; R612-H614 VanDerWaalsContact O-ND1 3.1Å |
| 615 | F | 46.7 | Very low | 49.1 | Very low | 78 Ų | 78 | 96.3 Ų | 96.3 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.9 | 176.7 | -69.5 | -88 | 0 | 0 | 0 | 108.4 | L600 F603 I609 N613 | L600-F615 HydrophobicContact CB-CB 4.3Å; L600-F615 WeakPolarHBondContact CB-O 3.44Å; L600-F615 HydrophobicContact CD1-CB 4.25Å; L600-F615 PolarHBondContact N-O 3.15Å; F603-F615 HydrophobicContact CB-CD2 3.91Å; F603-F615 HydrophobicContact CB-CE2 4.2Å; F603-F615 HydrophobicContact CG-CD2 4.47Å; I609-F615 HydrophobicContact CD1-CZ 4.32Å; N613-F615 VanDerWaalsContact O-CD2 3.31Å; N613-F615 WeakPolarHBondContact O-CD2 3.35Å; N613-F615 WeakPolarHBondContact O-CE2 3.37Å; N613-F615 PolarHBondContact O-N 3.09Å |
| 616 | I | 49.9 | Very low | 49.8 | Very low | 84 Ų | 84 | 90.2 Ų | 90.2 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.5 | 170.5 | -60.6 | 175.6 | 0 | 0 | 0 | 106.4 | Q597 E618 | Q597-I616 HydrophobicContact CB-CG2 3.81Å; Q597-I616 HydrophobicContact CG-CG2 4.32Å; I616-E618 HydrophobicContact CG2-CG 4.14Å |
| 617 | L | 46.6 | Very low | 50.5 | Low | 69 Ų | 69 | 86.7 Ų | 86.7 | 36% | 0.361 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.7 | 174.6 | -175.1 | 63.7 | 0 | 0 | 0 | 108.4 | Q597 V598 L600 F619 | Q597-L617 CarbonylContact C-O 3.51Å; Q597-L617 WeakPolarHBondContact CA-O 3.45Å; V598-L617 HydrophobicContact CB-CB 4.48Å; V598-L617 PolarHBondContact N-O 2.65Å; V598-L617 PolarHBondContact O-N 3.05Å; L600-L617 HydrophobicContact CD1-CB 3.85Å; L600-L617 HydrophobicContact CD1-CD2 4.34Å; L600-L617 HydrophobicContact CG-CB 4.29Å; L617-F619 HydrophobicContact CB-CE2 4.37Å; L617-F619 HydrophobicContact CD2-CE1 4.05Å; L617-F619 HydrophobicContact CD2-CE2 3.56Å; L617-F619 HydrophobicContact CD2-CZ 3.18Å; L617-F619 HydrophobicContact CG-CD2 4.37Å; L617-F619 HydrophobicContact CG-CE1 4.29Å; L617-F619 HydrophobicContact CG-CE2 3.65Å; L617-F619 HydrophobicContact CG-CZ 3.63Å |
| 618 | E | 49.1 | Very low | 50.9 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.5 | -179.7 | -51.8 | -167.4 | 143.5 | 0 | 0 | 110.8 | V595 I596 Q597 I616 | V595-E618 HydrophobicContact CG1-CB 4.15Å; I596-E618 CarbonylContact O-C 3.6Å; I596-E618 WeakPolarHBondContact O-CA 3.44Å; Q597-E618 HydrophobicContact CG-CG 4.01Å; Q597-E618 PolarHBondContact NE2-OE1 2.71Å; I616-E618 HydrophobicContact CG2-CG 4.14Å |
| 619 | F | 50.6 | Low | 51.3 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.1 | 176.2 | -58.9 | -88.2 | 0 | 0 | 0 | 110.3 | V595 I596 V598 L617 V621 | V595-F619 CarbonylContact C-O 3.59Å; V595-F619 VanDerWaalsContact CA-O 3.26Å; V595-F619 WeakPolarHBondContact CA-O 3.24Å; I596-F619 HydrophobicContact CB-CB 4.23Å; I596-F619 HydrophobicContact CB-CD2 4.45Å; I596-F619 PolarHBondContact N-O 3.36Å; I596-F619 PolarHBondContact O-N 3.26Å; V598-F619 HydrophobicContact CB-CE2 4.4Å; V598-F619 HydrophobicContact CG2-CD2 4.24Å; V598-F619 HydrophobicContact CG2-CE2 3.87Å; L617-F619 HydrophobicContact CB-CE2 4.37Å; L617-F619 HydrophobicContact CD2-CE1 4.05Å; L617-F619 HydrophobicContact CD2-CE2 3.56Å; L617-F619 HydrophobicContact CD2-CZ 3.18Å; L617-F619 HydrophobicContact CG-CD2 4.37Å; L617-F619 HydrophobicContact CG-CE1 4.29Å; L617-F619 HydrophobicContact CG-CE2 3.65Å; L617-F619 HydrophobicContact CG-CZ 3.63Å; F619-V621 HydrophobicContact CB-CG2 4.05Å; F619-V621 PolarHBondContact O-N 3.11Å |
| 620 | L | 54 | Low | 51.6 | Low | 82 Ų | 82 | 78.9 Ų | 78.9 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.4 | 166.1 | -174.8 | 71.1 | 0 | 0 | 0 | 109 | P593 L594 V595 H622 | P593-L620 HydrophobicContact CB-CD1 3.81Å; P593-L620 HydrophobicContact CB-CG 4.39Å; P593-L620 HydrophobicContact CG-CD1 4.28Å; L594-L620 CarbonylContact O-C 3.54Å; L594-L620 WeakPolarHBondContact O-CA 3.43Å; V595-L620 HydrophobicContact CG2-CD1 3.63Å; L620-H622 WeakPolarHBondContact CD2-NE2 3.49Å |
| 621 | V | 55.5 | Low | 51.9 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.8 | -178.3 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | P593 L594 I596 F619 P662 F664 | P593-V621 WeakPolarHBondContact CA-O 3.31Å; L594-V621 HydrophobicContact CB-CB 4.39Å; L594-V621 PolarHBondContact N-O 2.95Å; L594-V621 PolarHBondContact O-N 3.06Å; I596-V621 HydrophobicContact CD1-CG2 3.76Å; I596-V621 HydrophobicContact CG1-CG2 3.89Å; F619-V621 HydrophobicContact CB-CG2 4.05Å; F619-V621 PolarHBondContact O-N 3.11Å; V621-P662 HydrophobicContact CG1-CB 3.31Å; V621-P662 HydrophobicContact CG1-CG 4.36Å; V621-F664 HydrophobicContact CG1-CE2 3.71Å; V621-F664 HydrophobicContact CG1-CZ 3.66Å; V621-F664 HydrophobicContact CG2-CE2 4.11Å; V621-F664 HydrophobicContact CG2-CZ 4.38Å |
| 622 | H | 58.9 | Low | 52.3 | Low | 107 Ų | 107 | 74.1 Ų | 74.1 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 117.3 | 167.6 | -72.4 | -90.1 | 0 | 0 | 0 | 108.3 | L620 | L620-H622 WeakPolarHBondContact CD2-NE2 3.49Š|
| 623 | P | 58.6 | Low | 53.1 | Low | 17 Ų | 17 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.1 | 173.8 | -22.3 | 34.8 | 0 | 0 | 0 | 109.6 | V591 S625 Y661 | V591-P623 HydrophobicContact CG1-CB 3.83Å; V591-P623 HydrophobicContact CG1-CG 3.57Å; P623-S625 PolarHBondContact O-N 3.28Å; P623-Y661 HydrophobicContact CB-CE1 4.49Å; P623-Y661 WeakPolarHBondContact CB-O 3.31Å; P623-Y661 HydrophobicContact CG-CD1 3.73Å; P623-Y661 HydrophobicContact CG-CE1 3.3Å |
| 624 | P | 55.8 | Low | 54.1 | Low | 23 Ų | 23 | 63 Ų | 63 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 130.9 | 164.3 | 21.9 | -27.1 | 0 | 0 | 0 | 107.7 | L626 P662 R663 K767 | P624-L626 PolarHBondContact O-N 2.86Å; P624-P662 VanDerWaalsContact CD-O 3.23Å; P624-P662 WeakPolarHBondContact CD-O 3.48Å; P624-R663 HydrophobicContact CG-CB 3.98Å; P624-R663 HydrophobicContact CG-CG 3.87Å; P624-K767 HydrophobicContact CB-CB 3.64Å; P624-K767 HydrophobicContact CG-CB 4.4Å; P624-K767 WeakPolarHBondContact CG-O 3.29Å |
| 625 | S | 56.7 | Low | 55.1 | Low | 80 Ų | 80 | 61.4 Ų | 61.4 | 56% | 0.559 | 34% | 0.338 | S | S | * | . | trans | -34.4 | 134.3 | -171.7 | 55 | 0 | 0 | 0 | 0 | 114 | P623 S627 | P623-S625 PolarHBondContact O-N 3.28Å; S625-S627 PolarHBondContact O-N 3.42Å; S625-S627 VanDerWaalsContact O-N 3.1Å; S625-S627 PolarHBondContact O-OG 2.84Å | ||
| 626 | L | 55.4 | Low | 56.5 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | trans | -53.1 | 121.5 | 171.1 | -74.2 | 169.1 | 0 | 0 | 0 | 108.7 | R588 V591 P624 F628 F644 | R588-L626 WeakPolarHBondContact O-CD1 3.39Å; V591-L626 HydrophobicContact CG1-CD1 4.43Å; V591-L626 HydrophobicContact CG1-CG 4.36Å; V591-L626 HydrophobicContact CG2-CB 4.13Å; V591-L626 HydrophobicContact CG2-CD1 3.64Å; V591-L626 HydrophobicContact CG2-CG 3.59Å; P624-L626 PolarHBondContact O-N 2.86Å; L626-F628 HydrophobicContact CB-CD2 3.72Å; L626-F628 HydrophobicContact CB-CE2 3.88Å; L626-F628 HydrophobicContact CD1-CE2 4.08Å; L626-F628 HydrophobicContact CG-CE2 4.38Å; L626-F628 PolarHBondContact O-N 3.44Å; L626-F644 HydrophobicContact CD2-CE2 4.26Å | ||
| 627 | S | 58.2 | Low | 58 | Low | 15 Ų | 15 | 59.1 Ų | 59.1 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 49 | -170.7 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | S625 L645 R765 A766 | S625-S627 PolarHBondContact O-N 3.42Å; S625-S627 VanDerWaalsContact O-N 3.1Å; S625-S627 PolarHBondContact O-OG 2.84Å; S627-L645 VanDerWaalsContact CB-O 3.27Å; S627-L645 WeakPolarHBondContact CB-O 3.26Å; S627-L645 PolarHBondContact O-N 3.49Å; S627-R765 WeakPolarHBondContact CB-O 3.27Å; S627-R765 PolarHBondContact OG-O 2.97Å; S627-A766 VanDerWaalsContact OG-CA 3.23Å; S627-A766 WeakPolarHBondContact OG-CA 3.42Å; S627-A766 VanDerWaalsContact OG-CB 3.22Å; S627-A766 WeakPolarHBondContact OG-CB 3.28Å |
| 628 | F | 53.9 | Low | 60 | Low | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 140.7 | 162.8 | -69.8 | -77.5 | 0 | 0 | 0 | 108.4 | R588 L626 G643 F644 M722 | R588-F628 HydrophobicContact CB-CD2 4.28Å; R588-F628 HydrophobicContact CB-CE2 3.96Å; R588-F628 HydrophobicContact CB-CZ 4.33Å; R588-F628 HydrophobicContact CG-CD2 4.11Å; R588-F628 HydrophobicContact CG-CE2 4.28Å; R588-F628 HydrophobicContact CG-CG 4.41Å; L626-F628 HydrophobicContact CB-CD2 3.72Å; L626-F628 HydrophobicContact CB-CE2 3.88Å; L626-F628 HydrophobicContact CD1-CE2 4.08Å; L626-F628 HydrophobicContact CG-CE2 4.38Å; L626-F628 PolarHBondContact O-N 3.44Å; F628-G643 WeakPolarHBondContact CA-O 3.24Å; F628-F644 HydrophobicContact CD1-CB 3.95Å; F628-F644 AromaticContact CD1-CD2 3.58Å; F628-F644 HydrophobicContact CD1-CD2 3.58Å; F628-F644 HydrophobicContact CD1-CG 4.21Å; F628-F644 AromaticContact CD2-CD2 3.93Å; F628-F644 HydrophobicContact CD2-CD2 3.93Å; F628-F644 HydrophobicContact CD2-CE2 4.2Å; F628-F644 HydrophobicContact CE1-CB 3.92Å; F628-F644 AromaticContact CE1-CD2 3.39Å; F628-F644 HydrophobicContact CE1-CD2 3.39Å; F628-F644 HydrophobicContact CE1-CE2 4.16Å; F628-F644 AromaticContact CE1-CG 3.95Å; F628-F644 HydrophobicContact CE1-CG 3.95Å; F628-F644 AromaticContact CE2-CD2 3.76Å; F628-F644 HydrophobicContact CE2-CD2 3.76Å; F628-F644 AromaticContact CE2-CE2 3.78Å; F628-F644 HydrophobicContact CE2-CE2 3.78Å; F628-F644 AromaticContact CG-CD2 3.84Å; F628-F644 HydrophobicContact CG-CD2 3.84Å; F628-F644 AromaticContact CZ-CD2 3.48Å; F628-F644 HydrophobicContact CZ-CD2 3.48Å; F628-F644 VanDerWaalsContact CZ-CD2 3.48Å; F628-F644 AromaticContact CZ-CE2 3.75Å; F628-F644 HydrophobicContact CZ-CE2 3.75Å; F628-F644 HydrophobicContact CZ-CG 4.34Å; F628-M722 HydrophobicContact CD1-CE 4.36Å; F628-M722 HydrophobicContact CE1-CE 3.78Å |
| 629 | T | 55.6 | Low | 61.8 | Low | 17 Ų | 17 | 58.2 Ų | 58.2 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | trans | -63.9 | 142.2 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | V631 I642 G643 S764 | T629-V631 PolarHBondContact O-N 2.93Å; T629-I642 HydrophobicContact CG2-CB 4.5Å; T629-I642 WeakPolarHBondContact CG2-O 3.42Å; T629-I642 PolarHBondContact OG1-O 2.88Å; T629-G643 PolarHBondContact N-O 2.91Å; T629-S764 WeakPolarHBondContact CG2-OG 3.43Å | ||
| 630 | T | 50.5 | Low | 63.6 | Low | 139 Ų | 139 | 55.7 Ų | 55.7 | 85% | 0.853 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -63.1 | 2.2 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | D632 | T630-D632 PolarHBondContact O-N 3.43Š|
| 631 | V | 52.3 | Low | 65.3 | Low | 37 Ų | 37 | 52.3 Ų | 52.3 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | trans | -71.1 | 119.8 | 178.7 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | R588 T629 T633 N636 L637 | R588-V631 PolarHBondContact NH2-O 3.38Å; T629-V631 PolarHBondContact O-N 2.93Å; V631-T633 WeakPolarHBondContact CG1-O 3.14Å; V631-T633 PolarHBondContact O-N 3.04Å; V631-T633 VanDerWaalsContact O-N 3.12Å; V631-N636 HydrophobicContact CG1-CB 3.42Å; V631-N636 VanDerWaalsContact CG1-CB 3.42Å; V631-L637 HydrophobicContact CB-CD2 4.17Å; V631-L637 HydrophobicContact CG1-CD2 4.47Å; V631-L637 HydrophobicContact CG2-CD2 3.83Å | ||
| 632 | D | 53 | Low | 66.7 | Low | 139 Ų | 139 | 51.7 Ų | 51.7 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -55.7 | -32.8 | -173.2 | -66.3 | -38.6 | 0 | 0 | 0 | 112.6 | T630 | T630-D632 PolarHBondContact O-N 3.43Š|
| 633 | T | 61.1 | Low | 67.7 | Low | 65 Ų | 65 | 46.7 Ų | 46.7 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -136.7 | 144.3 | 180 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | V631 S635 N636 | V631-T633 WeakPolarHBondContact CG1-O 3.14Å; V631-T633 PolarHBondContact O-N 3.04Å; V631-T633 VanDerWaalsContact O-N 3.12Å; T633-S635 WeakPolarHBondContact CB-OG 3.4Å; T633-S635 PolarHBondContact O-N 2.95Å; T633-S635 PolarHBondContact OG1-OG 2.9Å; T633-N636 PolarHBondContact O-N 2.88Å; T633-N636 PolarHBondContact OG1-ND2 3.17Å |
| 634 | I | 64.9 | Low | 68.6 | Low | 30 Ų | 30 | 46.7 Ų | 46.7 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.5 | -28.9 | 178.1 | -62.2 | 148.9 | 0 | 0 | 0 | 111.5 | N636 L637 M722 E724 L725 | I634-N636 PolarHBondContact O-N 3.14Å; I634-N636 VanDerWaalsContact O-N 3.13Å; I634-L637 HydrophobicContact CG2-CD1 4.33Å; I634-L637 WeakPolarHBondContact O-CB 3.47Å; I634-L637 PolarHBondContact O-N 2.99Å; I634-L637 VanDerWaalsContact O-N 3.1Å; I634-M722 HydrophobicContact CD1-CB 3.76Å; I634-M722 HydrophobicContact CD1-CE 4.45Å; I634-M722 HydrophobicContact CD1-CG 3.36Å; I634-M722 HydrophobicContact CD1-SD 3.44Å; I634-M722 WeakPolarHBondContact CD1-SD 3.23Å; I634-M722 HydrophobicContact CG1-CG 4.3Å; I634-M722 HydrophobicContact CG1-SD 3.81Å; I634-E724 HydrophobicContact CG2-CB 3.99Å; I634-L725 HydrophobicContact CG2-CD2 3.95Å; I634-L725 HydrophobicContact CG2-CG 4.13Å |
| 635 | S | 69.2 | Low | 69.7 | Low | 80 Ų | 80 | 45.6 Ų | 45.6 | 56% | 0.559 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.7 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 114 | T633 L637 | T633-S635 WeakPolarHBondContact CB-OG 3.4Å; T633-S635 PolarHBondContact O-N 2.95Å; T633-S635 PolarHBondContact OG1-OG 2.9Å; S635-L637 VanDerWaalsContact C-N 3.34Å |
| 636 | N | 76.9 | Confident | 70.6 | Confident | 106 Ų | 106 | 42.4 Ų | 42.4 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -89.7 | -2 | -176.8 | -66.1 | -7 | 0 | 0 | 0 | 112.7 | V631 T633 I634 | V631-N636 HydrophobicContact CG1-CB 3.42Å; V631-N636 VanDerWaalsContact CG1-CB 3.42Å; T633-N636 PolarHBondContact O-N 2.88Å; T633-N636 PolarHBondContact OG1-ND2 3.17Å; I634-N636 PolarHBondContact O-N 3.14Å; I634-N636 VanDerWaalsContact O-N 3.13Å |
| 637 | L | 82 | Confident | 71.7 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 134.5 | 175.5 | -62.9 | 175.9 | 0 | 0 | 0 | 110.4 | V631 I634 S635 D641 K678 L725 | V631-L637 HydrophobicContact CB-CD2 4.17Å; V631-L637 HydrophobicContact CG1-CD2 4.47Å; V631-L637 HydrophobicContact CG2-CD2 3.83Å; I634-L637 HydrophobicContact CG2-CD1 4.33Å; I634-L637 WeakPolarHBondContact O-CB 3.47Å; I634-L637 PolarHBondContact O-N 2.99Å; I634-L637 VanDerWaalsContact O-N 3.1Å; S635-L637 VanDerWaalsContact C-N 3.34Å; L637-D641 HydrophobicContact CB-CB 4.01Å; L637-D641 HydrophobicContact CD2-CB 3.97Å; L637-K678 HydrophobicContact CB-CB 3.88Å; L637-K678 HydrophobicContact CB-CG 4.06Å; L637-L725 HydrophobicContact CD1-CD2 3.89Å |
| 638 | L | 87 | Confident | 72.4 | Confident | 108 Ų | 108 | 41.1 Ų | 41.1 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -80.3 | 154.2 | 171.7 | -62.9 | 174.1 | 0 | 0 | 0 | 110.6 | G640 D641 K678 | L638-G640 PolarHBondContact O-N 3.16Å; L638-G640 VanDerWaalsContact O-N 3.12Å; L638-D641 PolarHBondContact N-OD2 2.64Å; L638-D641 WeakPolarHBondContact O-CB 3.49Å; L638-D641 PolarHBondContact O-N 3.28Å; L638-K678 WeakPolarHBondContact O-CB 3.43Å |
| 639 | P | 87.9 | Confident | 73 | Confident | 44 Ų | 44 | 40 Ų | 40 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 119.3 | 173.4 | -27 | 35.9 | 0 | 0 | 0 | 112.4 | K678 Y686 | P639-K678 CarbonylContact C-O 3.52Å; P639-K678 WeakPolarHBondContact CA-O 3.02Å; P639-Y686 HydrophobicContact CB-CE1 3.9Å; P639-Y686 HydrophobicContact CB-CE2 4.49Å; P639-Y686 PolarHBondContact O-OH 3.23Å |
| 640 | G | 87.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -14 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L638 K678 | L638-G640 PolarHBondContact O-N 3.16Å; L638-G640 VanDerWaalsContact O-N 3.12Å; G640-K678 PolarHBondContact N-O 2.83Å |
| 641 | D | 89.8 | Confident | 72.9 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | trans | -66.7 | 145.5 | 174.1 | -74.7 | -3.8 | 0 | 0 | 0 | 110.8 | L637 L638 W677 K678 S760 | L637-D641 HydrophobicContact CB-CB 4.01Å; L637-D641 HydrophobicContact CD2-CB 3.97Å; L638-D641 PolarHBondContact N-OD2 2.64Å; L638-D641 WeakPolarHBondContact O-CB 3.49Å; L638-D641 PolarHBondContact O-N 3.28Å; D641-W677 CarbonylContact O-C 3.55Å; D641-W677 WeakPolarHBondContact O-CA 3.4Å; D641-W677 WeakPolarHBondContact O-CB 3.47Å; D641-K678 PolarHBondContact O-N 2.82Å; D641-S760 WeakPolarHBondContact OD1-CB 3.45Å; D641-S760 PolarHBondContact OD1-OG 3.42Å | ||
| 642 | I | 85.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.5 | 175.5 | -58.3 | 171.2 | 0 | 0 | 0 | 107.2 | T629 F644 L645 V675 L676 V690 A756 Q762 | T629-I642 HydrophobicContact CG2-CB 4.5Å; T629-I642 WeakPolarHBondContact CG2-O 3.42Å; T629-I642 PolarHBondContact OG1-O 2.88Å; I642-F644 WeakPolarHBondContact CG2-O 3.46Å; I642-L645 HydrophobicContact CG2-CB 4.18Å; I642-V675 HydrophobicContact CB-CG1 4.4Å; I642-V675 HydrophobicContact CD1-CG1 4.35Å; I642-V675 HydrophobicContact CG1-CG1 3.87Å; I642-V675 HydrophobicContact CG2-CG1 3.94Å; I642-L676 CarbonylContact C-O 3.57Å; I642-V690 HydrophobicContact CD1-CG1 3.75Å; I642-V690 HydrophobicContact CD1-CG2 3.96Å; I642-V690 HydrophobicContact CG1-CG2 4.07Å; I642-A756 HydrophobicContact CD1-CB 3.46Å; I642-A756 VanDerWaalsContact CD1-CB 3.46Å; I642-Q762 PolarHBondContact O-NE2 2.88Å; I642-Q762 VanDerWaalsContact O-NE2 3.13Å; I642-Q762 PolarHBondContact O-OE1 3.29Å |
| 643 | G | 79.2 | Confident | 72.3 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -30.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F628 T629 L676 | F628-G643 WeakPolarHBondContact CA-O 3.24Å; T629-G643 PolarHBondContact N-O 2.91Å; G643-L676 PolarHBondContact N-O 2.98Å |
| 644 | F | 78.2 | Confident | 71.7 | Confident | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 141.5 | 177.2 | 178.2 | -97.8 | 0 | 0 | 0 | 111.4 | L626 F628 I642 E646 L674 V675 L676 | L626-F644 HydrophobicContact CD2-CE2 4.26Å; F628-F644 HydrophobicContact CD1-CB 3.95Å; F628-F644 AromaticContact CD1-CD2 3.58Å; F628-F644 HydrophobicContact CD1-CD2 3.58Å; F628-F644 HydrophobicContact CD1-CG 4.21Å; F628-F644 AromaticContact CD2-CD2 3.93Å; F628-F644 HydrophobicContact CD2-CD2 3.93Å; F628-F644 HydrophobicContact CD2-CE2 4.2Å; F628-F644 HydrophobicContact CE1-CB 3.92Å; F628-F644 AromaticContact CE1-CD2 3.39Å; F628-F644 HydrophobicContact CE1-CD2 3.39Å; F628-F644 HydrophobicContact CE1-CE2 4.16Å; F628-F644 AromaticContact CE1-CG 3.95Å; F628-F644 HydrophobicContact CE1-CG 3.95Å; F628-F644 AromaticContact CE2-CD2 3.76Å; F628-F644 HydrophobicContact CE2-CD2 3.76Å; F628-F644 AromaticContact CE2-CE2 3.78Å; F628-F644 HydrophobicContact CE2-CE2 3.78Å; F628-F644 AromaticContact CG-CD2 3.84Å; F628-F644 HydrophobicContact CG-CD2 3.84Å; F628-F644 AromaticContact CZ-CD2 3.48Å; F628-F644 HydrophobicContact CZ-CD2 3.48Å; F628-F644 VanDerWaalsContact CZ-CD2 3.48Å; F628-F644 AromaticContact CZ-CE2 3.75Å; F628-F644 HydrophobicContact CZ-CE2 3.75Å; F628-F644 HydrophobicContact CZ-CG 4.34Å; I642-F644 WeakPolarHBondContact CG2-O 3.46Å; F644-E646 HydrophobicContact CD1-CB 4.46Å; F644-E646 HydrophobicContact CE1-CB 3.6Å; F644-E646 WeakPolarHBondContact CE1-OE2 3.48Å; F644-E646 HydrophobicContact CZ-CB 4Å; F644-E646 WeakPolarHBondContact CZ-OE2 3.28Å; F644-L674 HydrophobicContact CD1-CD2 3.9Å; F644-L674 HydrophobicContact CE1-CD2 3.9Å; F644-V675 WeakPolarHBondContact O-CA 3.36Å; F644-L676 HydrophobicContact CB-CB 4.06Å; F644-L676 HydrophobicContact CB-CD2 4.36Å; F644-L676 HydrophobicContact CD1-CD1 4.15Å; F644-L676 PolarHBondContact N-O 3.16Å; F644-L676 PolarHBondContact O-N 3.32Å |
| 645 | L | 78.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.6 | 178.9 | 178 | 61.1 | 0 | 0 | 0 | 110.5 | S627 I642 I673 V675 F692 I754 A756 A766 | S627-L645 VanDerWaalsContact CB-O 3.27Å; S627-L645 WeakPolarHBondContact CB-O 3.26Å; S627-L645 PolarHBondContact O-N 3.49Å; I642-L645 HydrophobicContact CG2-CB 4.18Å; L645-I673 HydrophobicContact CD1-CG2 3.89Å; L645-V675 HydrophobicContact CD1-CG2 4.09Å; L645-F692 HydrophobicContact CD1-CE1 3.7Å; L645-F692 HydrophobicContact CD1-CZ 4.35Å; L645-F692 HydrophobicContact CD2-CE1 4.41Å; L645-I754 HydrophobicContact CD2-CG2 4.08Å; L645-A756 HydrophobicContact CD2-CB 3.72Å; L645-A766 HydrophobicContact CB-CB 4.38Å; L645-A766 HydrophobicContact CD2-CB 3.82Å; L645-A766 HydrophobicContact CG-CB 3.79Å |
| 646 | E | 76.7 | Confident | 70.5 | Confident | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.1 | 176.6 | 172.2 | 170.5 | 169.5 | 0 | 0 | 111.8 | F644 R663 L674 | F644-E646 HydrophobicContact CD1-CB 4.46Å; F644-E646 HydrophobicContact CE1-CB 3.6Å; F644-E646 WeakPolarHBondContact CE1-OE2 3.48Å; F644-E646 HydrophobicContact CZ-CB 4Å; F644-E646 WeakPolarHBondContact CZ-OE2 3.28Å; E646-R663 IonicContact OE1-CZ 3.96Å; E646-R663 IonicContact OE1-NH1 3.51Å; E646-R663 PolarHBondContact OE1-NH1 2.01Å; E646-R663 IonicContact OE1-NH2 2.71Å; E646-R663 PolarHBondContact OE1-NH2 2.83Å; E646-R663 IonicContact OE2-CZ 3.85Å; E646-R663 IonicContact OE2-NH1 3.35Å; E646-R663 IonicContact OE2-NH2 2.75Å; E646-R663 PolarHBondContact OE2-NH2 3.37Å; E646-L674 HydrophobicContact CB-CB 4.37Å; E646-L674 HydrophobicContact CB-CD2 4.4Å; E646-L674 PolarHBondContact N-O 2.81Å; E646-L674 PolarHBondContact O-N 3.28Å |
| 647 | I | 78.2 | Confident | 69.4 | Low | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.9 | 164.7 | -52.4 | -62.1 | 0 | 0 | 0 | 107.5 | R663 L665 T672 I673 I754 F768 | I647-R663 WeakPolarHBondContact O-CD 3.24Å; I647-L665 HydrophobicContact CB-CD1 4.34Å; I647-L665 HydrophobicContact CG2-CD1 3.62Å; I647-T672 WeakPolarHBondContact CA-O 3.03Å; I647-I673 HydrophobicContact CD1-CB 4.22Å; I647-I673 HydrophobicContact CD1-CG1 3.61Å; I647-I673 HydrophobicContact CD1-CG2 4.31Å; I647-I754 HydrophobicContact CD1-CD1 3.75Å; I647-I754 HydrophobicContact CD1-CG2 4.01Å; I647-I754 HydrophobicContact CG1-CG2 3.86Å; I647-F768 HydrophobicContact CB-CB 4.29Å; I647-F768 HydrophobicContact CB-CD1 3.97Å; I647-F768 HydrophobicContact CB-CE1 4.47Å; I647-F768 HydrophobicContact CB-CG 4.08Å; I647-F768 HydrophobicContact CG1-CD1 3.75Å; I647-F768 HydrophobicContact CG1-CE1 4.01Å; I647-F768 HydrophobicContact CG1-CG 4.38Å; I647-F768 HydrophobicContact CG2-CD1 4.19Å; I647-F768 HydrophobicContact CG2-CD2 4.22Å; I647-F768 HydrophobicContact CG2-CE1 4.37Å; I647-F768 HydrophobicContact CG2-CE2 4.38Å; I647-F768 HydrophobicContact CG2-CG 4.1Å; I647-F768 HydrophobicContact CG2-CZ 4.45Å |
| 648 | S | 72.9 | Confident | 68 | Low | 16 Ų | 16 | 29.9 Ų | 29.9 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 165.7 | -173.8 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | N660 L671 T672 | S648-N660 PolarHBondContact OG-ND2 3.39Å; S648-N660 PolarHBondContact OG-OD1 3.28Å; S648-L671 CarbonylContact O-C 3.2Å; S648-L671 WeakPolarHBondContact O-CA 3.46Å; S648-T672 PolarHBondContact N-O 3.2Å; S648-T672 PolarHBondContact O-N 3.14Å |
| 649 | S | 66.9 | Low | 66.8 | Low | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160 | 167.6 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | N660 E669 | S649-N660 PolarHBondContact N-OD1 3.06Å; S649-N660 PolarHBondContact O-ND2 3.35Å; S649-N660 PolarHBondContact O-OD1 3.03Å; S649-E669 WeakPolarHBondContact CB-OE2 3.29Å; S649-E669 PolarHBondContact OG-OE2 3.28Å |
| 650 | N | 57.2 | Low | 65.5 | Low | 71 Ų | 71 | 22.9 Ų | 22.9 | 38% | 0.38 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 32.1 | 111.3 | 170.4 | -66.1 | -12.6 | 0 | 0 | 0 | 115.7 | D652 | N650-D652 VanDerWaalsContact C-N 3.3Å; N650-D652 PolarHBondContact O-N 3.18Å |
| 651 | F | 46.9 | Very low | 64.2 | Low | 145 Ų | 145 | 24 Ų | 24 | 64% | 0.636 | 12% | 0.117 | S | C | * | . | trans | -71 | 85.5 | 178.2 | -163.1 | -95.3 | 0 | 0 | 0 | 111.7 | A566 | A566-F651 VanDerWaalsContact O-CZ 3.26Å; A566-F651 WeakPolarHBondContact O-CZ 3.08Å | ||
| 652 | D | 47.5 | Very low | 62.8 | Low | 33 Ų | 33 | 23.6 Ų | 23.6 | 18% | 0.176 | 11% | 0.114 | C | C | . | . | trans | -132.4 | 142.8 | 169.6 | 176.9 | -84.3 | 0 | 0 | 0 | 109.5 | N650 K654 E655 Q656 | N650-D652 VanDerWaalsContact C-N 3.3Å; N650-D652 PolarHBondContact O-N 3.18Å; D652-K654 WeakPolarHBondContact OD1-CA 3.45Å; D652-K654 WeakPolarHBondContact OD1-CB 3.18Å; D652-K654 PolarHBondContact OD1-N 3.46Å; D652-E655 HydrophobicContact CB-CB 4.01Å; D652-E655 HydrophobicContact CB-CG 3.73Å; D652-E655 CarbonylContact O-C 3.57Å; D652-E655 WeakPolarHBondContact O-CB 3.15Å; D652-E655 PolarHBondContact O-N 3.24Å; D652-E655 PolarHBondContact OD1-N 3.4Å; D652-E655 VanDerWaalsContact OD1-N 3.14Å; D652-Q656 WeakPolarHBondContact O-CG 3.48Å; D652-Q656 PolarHBondContact O-N 3.48Å | ||
| 653 | V | 44 | Very low | 62.2 | Low | 17 Ų | 17 | 24.8 Ų | 24.8 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.8 | -34.8 | -169.8 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | L529 A566 E655 Q656 I657 | L529-V653 HydrophobicContact CD1-CB 3.69Å; L529-V653 HydrophobicContact CD1-CG1 3.56Å; L529-V653 HydrophobicContact CD1-CG2 3.19Å; L529-V653 HydrophobicContact CD2-CG1 3.97Å; L529-V653 HydrophobicContact CG-CG1 4.43Å; A566-V653 HydrophobicContact CB-CB 4.28Å; A566-V653 HydrophobicContact CB-CG1 3.89Å; A566-V653 HydrophobicContact CB-CG2 3.79Å; V653-E655 VanDerWaalsContact C-N 3.31Å; V653-Q656 WeakPolarHBondContact O-CB 3.48Å; V653-Q656 PolarHBondContact O-N 3.49Å; V653-I657 PolarHBondContact O-N 2.97Å |
| 654 | K | 48.2 | Very low | 61.7 | Low | 67 Ų | 67 | 27.5 Ų | 27.5 | 29% | 0.291 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 172.3 | -72 | -175.1 | 178.6 | 177.5 | 0 | 109.1 | D652 Q656 I657 F658 N799 | D652-K654 WeakPolarHBondContact OD1-CA 3.45Å; D652-K654 WeakPolarHBondContact OD1-CB 3.18Å; D652-K654 PolarHBondContact OD1-N 3.46Å; K654-Q656 VanDerWaalsContact C-N 3.29Å; K654-Q656 PolarHBondContact O-N 2.83Å; K654-I657 PolarHBondContact O-N 3.31Å; K654-F658 HydrophobicContact CB-CD2 3.89Å; K654-F658 HydrophobicContact CB-CE2 4.01Å; K654-F658 HydrophobicContact CG-CE2 4.14Å; K654-F658 WeakPolarHBondContact O-CB 3.41Å; K654-F658 WeakPolarHBondContact O-CD2 3.48Å; K654-F658 PolarHBondContact O-N 3.13Å; K654-N799 PolarHBondContact NZ-O 3.38Å |
| 655 | E | 55.3 | Low | 61.5 | Low | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 172.8 | -62.1 | -67.4 | 133.3 | 0 | 0 | 111.2 | D652 V653 I657 R659 N660 | D652-E655 HydrophobicContact CB-CB 4.01Å; D652-E655 HydrophobicContact CB-CG 3.73Å; D652-E655 CarbonylContact O-C 3.57Å; D652-E655 WeakPolarHBondContact O-CB 3.15Å; D652-E655 PolarHBondContact O-N 3.24Å; D652-E655 PolarHBondContact OD1-N 3.4Å; D652-E655 VanDerWaalsContact OD1-N 3.14Å; V653-E655 VanDerWaalsContact C-N 3.31Å; E655-I657 VanDerWaalsContact C-N 3.31Å; E655-I657 PolarHBondContact O-N 3.36Å; E655-R659 CarbonylContact O-C 3.4Å; E655-R659 PolarHBondContact O-N 3.02Å; E655-R659 WeakPolarHBondContact OE2-CD 3.35Å; E655-R659 IonicContact OE2-CZ 2.78Å; E655-R659 IonicContact OE2-NE 3.18Å; E655-R659 IonicContact OE2-NH1 3.66Å; E655-R659 PolarHBondContact OE2-NH1 3.33Å; E655-N660 PolarHBondContact O-N 2.93Å |
| 656 | Q | 55.3 | Low | 61.1 | Low | 22 Ų | 22 | 26.9 Ų | 26.9 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -55.6 | -43 | 175.5 | -68.6 | -44.9 | -48.3 | 0 | 0 | 112.8 | A566 D652 V653 K654 N660 Y661 | A566-Q656 HydrophobicContact CB-CG 4.47Å; D652-Q656 WeakPolarHBondContact O-CG 3.48Å; D652-Q656 PolarHBondContact O-N 3.48Å; V653-Q656 WeakPolarHBondContact O-CB 3.48Å; V653-Q656 PolarHBondContact O-N 3.49Å; K654-Q656 VanDerWaalsContact C-N 3.29Å; K654-Q656 PolarHBondContact O-N 2.83Å; Q656-N660 PolarHBondContact NE2-ND2 3.26Å; Q656-Y661 VanDerWaalsContact O-CB 3.31Å; Q656-Y661 WeakPolarHBondContact O-CB 3.04Å; Q656-Y661 PolarHBondContact O-N 3.15Å |
| 657 | I | 52.1 | Low | 60.7 | Low | 43 Ų | 43 | 27.6 Ų | 27.6 | 22% | 0.221 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -80.6 | -44.5 | -177.9 | -65.8 | 163.6 | 0 | 0 | 0 | 112.2 | A562 V653 K654 E655 Y661 | A562-I657 HydrophobicContact CB-CD1 4.25Å; A562-I657 HydrophobicContact CB-CG1 3.57Å; V653-I657 PolarHBondContact O-N 2.97Å; K654-I657 PolarHBondContact O-N 3.31Å; E655-I657 VanDerWaalsContact C-N 3.31Å; E655-I657 PolarHBondContact O-N 3.36Å; I657-Y661 VanDerWaalsContact O-CB 3.28Å; I657-Y661 WeakPolarHBondContact O-CB 3.43Å |
| 658 | F | 54.6 | Low | 60.1 | Low | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -95.6 | -31.9 | -165.7 | -63.1 | -55.2 | 0 | 0 | 0 | 113.8 | K654 P662 W798 V801 F806 | K654-F658 HydrophobicContact CB-CD2 3.89Å; K654-F658 HydrophobicContact CB-CE2 4.01Å; K654-F658 HydrophobicContact CG-CE2 4.14Å; K654-F658 WeakPolarHBondContact O-CB 3.41Å; K654-F658 WeakPolarHBondContact O-CD2 3.48Å; K654-F658 PolarHBondContact O-N 3.13Å; F658-P662 WeakPolarHBondContact O-CD 3.12Å; F658-P662 WeakPolarHBondContact O-CG 3.34Å; F658-W798 HydrophobicContact CB-CD2 4.04Å; F658-W798 HydrophobicContact CB-CE3 3.39Å; F658-W798 HydrophobicContact CB-CH2 4.38Å; F658-W798 HydrophobicContact CB-CZ3 3.59Å; F658-W798 HydrophobicContact CD1-CE3 4.12Å; F658-W798 AromaticContact CD1-CZ3 3.96Å; F658-W798 HydrophobicContact CD1-CZ3 3.96Å; F658-W798 HydrophobicContact CD2-CE3 4.05Å; F658-W798 AromaticContact CG-CE3 3.59Å; F658-W798 HydrophobicContact CG-CE3 3.59Å; F658-W798 AromaticContact CG-CZ3 3.84Å; F658-W798 HydrophobicContact CG-CZ3 3.84Å; F658-V801 HydrophobicContact CD1-CG1 4.47Å; F658-V801 HydrophobicContact CE1-CG1 3.96Å; F658-V801 HydrophobicContact CE2-CG1 4.43Å; F658-V801 HydrophobicContact CZ-CG1 3.92Å; F658-F806 HydrophobicContact CD1-CE1 4.17Å; F658-F806 HydrophobicContact CD1-CE2 4.38Å; F658-F806 AromaticContact CD1-CZ 3.68Å; F658-F806 HydrophobicContact CD1-CZ 3.68Å; F658-F806 HydrophobicContact CE1-CD2 4.41Å; F658-F806 AromaticContact CE1-CE1 3.95Å; F658-F806 HydrophobicContact CE1-CE1 3.95Å; F658-F806 AromaticContact CE1-CE2 3.45Å; F658-F806 HydrophobicContact CE1-CE2 3.45Å; F658-F806 VanDerWaalsContact CE1-CE2 3.45Å; F658-F806 AromaticContact CE1-CZ 3.19Å; F658-F806 HydrophobicContact CE1-CZ 3.19Å; F658-F806 HydrophobicContact CZ-CE2 4.11Å; F658-F806 HydrophobicContact CZ-CZ 4.2Å |
| 659 | R | 59.9 | Low | 59.7 | Low | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -117.8 | -48.9 | -172.5 | -71 | -164.3 | 49 | -138.9 | -2.7 | 112.6 | E655 P662 R663 F664 E669 W798 | E655-R659 CarbonylContact O-C 3.4Å; E655-R659 PolarHBondContact O-N 3.02Å; E655-R659 WeakPolarHBondContact OE2-CD 3.35Å; E655-R659 IonicContact OE2-CZ 2.78Å; E655-R659 IonicContact OE2-NE 3.18Å; E655-R659 IonicContact OE2-NH1 3.66Å; E655-R659 PolarHBondContact OE2-NH1 3.33Å; R659-P662 WeakPolarHBondContact O-CD 3.41Å; R659-R663 CarbonylContact O-C 3.56Å; R659-R663 VanDerWaalsContact O-CA 3.25Å; R659-R663 WeakPolarHBondContact O-CA 3.5Å; R659-R663 PolarHBondContact O-N 2.75Å; R659-F664 PolarHBondContact NE-O 2.88Å; R659-F664 PolarHBondContact NH2-O 2.93Å; R659-F664 PolarHBondContact O-N 3.44Å; R659-E669 IonicContact CZ-OE1 3.76Å; R659-E669 IonicContact CZ-OE2 3.15Å; R659-E669 VanDerWaalsContact NH1-CD 3.33Å; R659-E669 IonicContact NH1-OE1 3.83Å; R659-E669 PolarHBondContact NH1-OE1 3.36Å; R659-E669 IonicContact NH1-OE2 2.71Å; R659-E669 IonicContact NH2-OE1 3.94Å; R659-E669 PolarHBondContact NH2-OE1 2.96Å; R659-E669 IonicContact NH2-OE2 2.71Å; R659-E669 PolarHBondContact NH2-OE2 3.29Å; R659-W798 HydrophobicContact CG-CD2 4.43Å |
| 660 | N | 61.2 | Low | 59.8 | Low | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -68.6 | -46 | 176.1 | -68.4 | -40.7 | 0 | 0 | 0 | 110.6 | S648 S649 E655 Q656 R663 L665 | S648-N660 PolarHBondContact OG-ND2 3.39Å; S648-N660 PolarHBondContact OG-OD1 3.28Å; S649-N660 PolarHBondContact N-OD1 3.06Å; S649-N660 PolarHBondContact O-ND2 3.35Å; S649-N660 PolarHBondContact O-OD1 3.03Å; E655-N660 PolarHBondContact O-N 2.93Å; Q656-N660 PolarHBondContact NE2-ND2 3.26Å; N660-R663 VanDerWaalsContact C-NH1 3.25Å; N660-R663 VanDerWaalsContact O-CA 3.32Å; N660-R663 WeakPolarHBondContact O-CA 3.38Å; N660-R663 WeakPolarHBondContact O-CD 3.22Å; N660-R663 WeakPolarHBondContact O-CG 3.35Å; N660-R663 PolarHBondContact O-N 2.62Å; N660-R663 PolarHBondContact O-NE 3.04Å; N660-R663 PolarHBondContact O-NH1 3Å; N660-L665 WeakPolarHBondContact OD1-CD2 3.01Å |
| 661 | Y | 60.7 | Low | 60.7 | Low | 25 Ų | 25 | 33.8 Ų | 33.8 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -49.4 | 179.7 | -175.6 | -92.4 | 0 | 0 | 0 | 113.9 | L558 V591 P592 L594 P623 Q656 I657 R663 | L558-Y661 HydrophobicContact CD1-CE2 3.87Å; V591-Y661 WeakPolarHBondContact CG1-OH 3.47Å; P592-Y661 WeakPolarHBondContact CD-OH 3.29Å; P592-Y661 WeakPolarHBondContact CG-OH 2.94Å; P592-Y661 PolarHBondContact O-OH 3.16Å; L594-Y661 HydrophobicContact CD1-CD1 3.31Å; L594-Y661 HydrophobicContact CD1-CE1 3.65Å; L594-Y661 HydrophobicContact CD1-CG 4.36Å; L594-Y661 HydrophobicContact CD2-CE1 4.28Å; L594-Y661 HydrophobicContact CG-CD1 3.95Å; L594-Y661 HydrophobicContact CG-CE1 3.72Å; P623-Y661 HydrophobicContact CB-CE1 4.49Å; P623-Y661 WeakPolarHBondContact CB-O 3.31Å; P623-Y661 HydrophobicContact CG-CD1 3.73Å; P623-Y661 HydrophobicContact CG-CE1 3.3Å; Q656-Y661 VanDerWaalsContact O-CB 3.31Å; Q656-Y661 WeakPolarHBondContact O-CB 3.04Å; Q656-Y661 PolarHBondContact O-N 3.15Å; I657-Y661 VanDerWaalsContact O-CB 3.28Å; I657-Y661 WeakPolarHBondContact O-CB 3.43Å; Y661-R663 VanDerWaalsContact C-N 3.29Å |
| 662 | P | 59.9 | Low | 62 | Low | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.9 | 171.5 | 33.8 | -37.3 | 0 | 0 | 0 | 114.7 | V621 P624 F658 R659 F664 | V621-P662 HydrophobicContact CG1-CB 3.31Å; V621-P662 HydrophobicContact CG1-CG 4.36Å; P624-P662 VanDerWaalsContact CD-O 3.23Å; P624-P662 WeakPolarHBondContact CD-O 3.48Å; F658-P662 WeakPolarHBondContact O-CD 3.12Å; F658-P662 WeakPolarHBondContact O-CG 3.34Å; R659-P662 WeakPolarHBondContact O-CD 3.41Å; P662-F664 HydrophobicContact CB-CD2 3.86Å; P662-F664 HydrophobicContact CB-CE2 3.79Å; P662-F664 HydrophobicContact CB-CG 4.34Å; P662-F664 HydrophobicContact CB-CZ 4.21Å; P662-F664 HydrophobicContact CG-CD2 3.55Å; P662-F664 HydrophobicContact CG-CE2 3.91Å; P662-F664 HydrophobicContact CG-CG 4.14Å |
| 663 | R | 72.4 | Confident | 63.6 | Low | 26 Ų | 26 | 26.8 Ų | 26.8 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 42.6 | -178.9 | -48.4 | -75.5 | 178.2 | -128.7 | 11.5 | 113.8 | P624 E646 I647 R659 N660 Y661 F768 V769 | P624-R663 HydrophobicContact CG-CB 3.98Å; P624-R663 HydrophobicContact CG-CG 3.87Å; E646-R663 IonicContact OE1-CZ 3.96Å; E646-R663 IonicContact OE1-NH1 3.51Å; E646-R663 PolarHBondContact OE1-NH1 2.01Å; E646-R663 IonicContact OE1-NH2 2.71Å; E646-R663 PolarHBondContact OE1-NH2 2.83Å; E646-R663 IonicContact OE2-CZ 3.85Å; E646-R663 IonicContact OE2-NH1 3.35Å; E646-R663 IonicContact OE2-NH2 2.75Å; E646-R663 PolarHBondContact OE2-NH2 3.37Å; I647-R663 WeakPolarHBondContact O-CD 3.24Å; R659-R663 CarbonylContact O-C 3.56Å; R659-R663 VanDerWaalsContact O-CA 3.25Å; R659-R663 WeakPolarHBondContact O-CA 3.5Å; R659-R663 PolarHBondContact O-N 2.75Å; N660-R663 VanDerWaalsContact C-NH1 3.25Å; N660-R663 VanDerWaalsContact O-CA 3.32Å; N660-R663 WeakPolarHBondContact O-CA 3.38Å; N660-R663 WeakPolarHBondContact O-CD 3.22Å; N660-R663 WeakPolarHBondContact O-CG 3.35Å; N660-R663 PolarHBondContact O-N 2.62Å; N660-R663 PolarHBondContact O-NE 3.04Å; N660-R663 PolarHBondContact O-NH1 3Å; Y661-R663 VanDerWaalsContact C-N 3.29Å; R663-F768 HydrophobicContact CB-CB 3.91Å; R663-V769 PolarHBondContact O-N 2.03Å; R663-V769 VanDerWaalsContact O-O 3.1Å |
| 664 | F | 69.8 | Low | 65.2 | Low | 60 Ų | 60 | 28.2 Ų | 28.2 | 26% | 0.263 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 95.7 | 173.3 | -65.4 | -35 | 0 | 0 | 0 | 111.6 | V621 R659 P662 V769 F771 | V621-F664 HydrophobicContact CG1-CE2 3.71Å; V621-F664 HydrophobicContact CG1-CZ 3.66Å; V621-F664 HydrophobicContact CG2-CE2 4.11Å; V621-F664 HydrophobicContact CG2-CZ 4.38Å; R659-F664 PolarHBondContact NE-O 2.88Å; R659-F664 PolarHBondContact NH2-O 2.93Å; R659-F664 PolarHBondContact O-N 3.44Å; P662-F664 HydrophobicContact CB-CD2 3.86Å; P662-F664 HydrophobicContact CB-CE2 3.79Å; P662-F664 HydrophobicContact CB-CG 4.34Å; P662-F664 HydrophobicContact CB-CZ 4.21Å; P662-F664 HydrophobicContact CG-CD2 3.55Å; P662-F664 HydrophobicContact CG-CE2 3.91Å; P662-F664 HydrophobicContact CG-CG 4.14Å; F664-V769 HydrophobicContact CD1-CB 3.97Å; F664-V769 HydrophobicContact CD1-CG1 4.49Å; F664-V769 HydrophobicContact CD1-CG2 4.22Å; F664-V769 HydrophobicContact CE1-CB 4.36Å; F664-V769 HydrophobicContact CE1-CG2 4.19Å; F664-F771 AromaticContact CD1-CE2 3.93Å; F664-F771 HydrophobicContact CD1-CE2 3.93Å; F664-F771 HydrophobicContact CE1-CE2 4.44Å |
| 665 | L | 74.6 | Confident | 66.8 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 154.8 | -173 | -51.1 | 178.8 | 0 | 0 | 0 | 111.3 | I647 N660 L671 F768 V769 L770 F771 | I647-L665 HydrophobicContact CB-CD1 4.34Å; I647-L665 HydrophobicContact CG2-CD1 3.62Å; N660-L665 WeakPolarHBondContact OD1-CD2 3.01Å; L665-L671 HydrophobicContact CB-CD2 3.78Å; L665-L671 HydrophobicContact CD1-CD2 3.98Å; L665-L671 HydrophobicContact CG-CD2 4.37Å; L665-F768 HydrophobicContact CD1-CB 4.24Å; L665-F768 HydrophobicContact CD1-CD2 3.9Å; L665-F768 HydrophobicContact CD1-CG 4.35Å; L665-V769 PolarHBondContact N-O 3.36Å; L665-L770 HydrophobicContact CB-CD1 4.2Å; L665-L770 WeakPolarHBondContact O-CA 3.46Å; L665-F771 PolarHBondContact O-N 3.18Å |
| 666 | T | 69.2 | Low | 68.1 | Low | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 161 | 176.5 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | Q668 E669 F771 P773 F793 | T666-Q668 PolarHBondContact O-N 3.48Å; T666-Q668 PolarHBondContact OG1-N 3.2Å; T666-E669 PolarHBondContact N-OE2 2.9Å; T666-E669 PolarHBondContact O-N 2.95Å; T666-E669 VanDerWaalsContact OG1-CD 3.28Å; T666-E669 PolarHBondContact OG1-OE1 2.82Å; T666-F771 WeakPolarHBondContact CA-O 3.29Å; T666-P773 HydrophobicContact CG2-CG 4.11Å; T666-F793 HydrophobicContact CG2-CB 4.5Å |
| 667 | L | 67.3 | Low | 69.6 | Low | 27 Ų | 27 | 24.7 Ų | 24.7 | 14% | 0.141 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14 | 175.3 | -66.9 | 173.9 | 0 | 0 | 0 | 114.6 | E669 N734 L737 I747 L770 F771 D772 | L667-E669 PolarHBondContact O-N 3.43Å; L667-N734 PolarHBondContact O-ND2 3.49Å; L667-L737 HydrophobicContact CD2-CD1 3.74Å; L667-I747 HydrophobicContact CD1-CB 4.09Å; L667-I747 HydrophobicContact CD1-CD1 3.47Å; L667-I747 VanDerWaalsContact CD1-CD1 3.47Å; L667-I747 HydrophobicContact CD1-CG1 4.33Å; L667-I747 HydrophobicContact CD1-CG2 4.05Å; L667-I747 HydrophobicContact CD2-CD1 3.57Å; L667-I747 HydrophobicContact CD2-CG2 4.41Å; L667-I747 HydrophobicContact CG-CD1 4.17Å; L667-L770 HydrophobicContact CD2-CD1 4.21Å; L667-L770 HydrophobicContact CD2-CD2 3.76Å; L667-L770 HydrophobicContact CD2-CG 4.15Å; L667-L770 HydrophobicContact CG-CG 4.48Å; L667-F771 PolarHBondContact N-O 3Å; L667-D772 HydrophobicContact CD1-CB 4.02Å |
| 668 | Q | 65.4 | Low | 71.3 | Confident | 136 Ų | 136 | 23.9 Ų | 23.9 | 64% | 0.636 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -14.6 | 177.3 | -64.8 | -177.8 | -4.5 | 0 | 0 | 111.5 | T666 | T666-Q668 PolarHBondContact O-N 3.48Å; T666-Q668 PolarHBondContact OG1-N 3.2Å |
| 669 | E | 66.3 | Low | 72.7 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -98.5 | 157.5 | -176.5 | -69.7 | 147.1 | -142.3 | 0 | 0 | 113.2 | S649 R659 T666 L667 L671 | S649-E669 WeakPolarHBondContact CB-OE2 3.29Å; S649-E669 PolarHBondContact OG-OE2 3.28Å; R659-E669 IonicContact CZ-OE1 3.76Å; R659-E669 IonicContact CZ-OE2 3.15Å; R659-E669 VanDerWaalsContact NH1-CD 3.33Å; R659-E669 IonicContact NH1-OE1 3.83Å; R659-E669 PolarHBondContact NH1-OE1 3.36Å; R659-E669 IonicContact NH1-OE2 2.71Å; R659-E669 IonicContact NH2-OE1 3.94Å; R659-E669 PolarHBondContact NH2-OE1 2.96Å; R659-E669 IonicContact NH2-OE2 2.71Å; R659-E669 PolarHBondContact NH2-OE2 3.29Å; T666-E669 PolarHBondContact N-OE2 2.9Å; T666-E669 PolarHBondContact O-N 2.95Å; T666-E669 VanDerWaalsContact OG1-CD 3.28Å; T666-E669 PolarHBondContact OG1-OE1 2.82Å; L667-E669 PolarHBondContact O-N 3.43Å; E669-L671 PolarHBondContact O-N 3.08Å |
| 670 | T | 68.3 | Low | 73.8 | Confident | 75 Ų | 75 | 25.6 Ų | 25.6 | 46% | 0.46 | 13% | 0.128 | S | C | . | . | trans | -84 | 102 | 167.8 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | L731 | T670-L731 HydrophobicContact CG2-CB 4.24Å; T670-L731 HydrophobicContact CG2-CD1 4.34Å; T670-L731 HydrophobicContact CG2-CD2 3.85Å; T670-L731 HydrophobicContact CG2-CG 4.36Å | ||
| 671 | L | 76.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146.4 | 175.7 | -49.7 | -177.6 | 0 | 0 | 0 | 110.1 | S648 L665 E669 F732 L737 F768 L770 | S648-L671 CarbonylContact O-C 3.2Å; S648-L671 WeakPolarHBondContact O-CA 3.46Å; L665-L671 HydrophobicContact CB-CD2 3.78Å; L665-L671 HydrophobicContact CD1-CD2 3.98Å; L665-L671 HydrophobicContact CG-CD2 4.37Å; E669-L671 PolarHBondContact O-N 3.08Å; L671-F732 HydrophobicContact CB-CB 3.87Å; L671-F732 WeakPolarHBondContact O-CB 3.44Å; L671-F732 PolarHBondContact O-N 3.23Å; L671-L737 HydrophobicContact CD1-CD1 3.85Å; L671-F768 HydrophobicContact CD1-CE2 4.44Å; L671-L770 HydrophobicContact CD1-CD1 4.02Å |
| 672 | T | 73.4 | Confident | 75.3 | Confident | 30 Ų | 30 | 32.9 Ų | 32.9 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.5 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | I647 S648 S730 | I647-T672 WeakPolarHBondContact CA-O 3.03Å; S648-T672 PolarHBondContact N-O 3.2Å; S648-T672 PolarHBondContact O-N 3.14Å; T672-S730 WeakPolarHBondContact CA-O 3.44Å |
| 673 | I | 80.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.8 | 167.7 | -57 | 171.1 | 0 | 0 | 0 | 107.6 | L645 I647 V675 F692 L706 T729 S730 F732 I754 | L645-I673 HydrophobicContact CD1-CG2 3.89Å; I647-I673 HydrophobicContact CD1-CB 4.22Å; I647-I673 HydrophobicContact CD1-CG1 3.61Å; I647-I673 HydrophobicContact CD1-CG2 4.31Å; I673-V675 HydrophobicContact CG2-CG2 3.76Å; I673-F692 HydrophobicContact CD1-CD1 4.45Å; I673-F692 HydrophobicContact CD1-CD2 4.16Å; I673-F692 HydrophobicContact CD1-CE2 4.3Å; I673-F692 HydrophobicContact CD1-CG 4.23Å; I673-F692 HydrophobicContact CG2-CE1 4.02Å; I673-F692 HydrophobicContact CG2-CE2 4.49Å; I673-F692 HydrophobicContact CG2-CZ 3.86Å; I673-L706 HydrophobicContact CD1-CD2 3.49Å; I673-L706 VanDerWaalsContact CD1-CD2 3.49Å; I673-T729 CarbonylContact O-C 3.04Å; I673-T729 WeakPolarHBondContact O-CA 3.21Å; I673-S730 PolarHBondContact N-O 2.79Å; I673-S730 PolarHBondContact O-N 2.87Å; I673-F732 HydrophobicContact CD1-CD2 3.63Å; I673-F732 HydrophobicContact CD1-CE2 3.98Å; I673-F732 HydrophobicContact CG1-CD2 3.85Å; I673-F732 HydrophobicContact CG1-CE2 4.49Å; I673-I754 HydrophobicContact CD1-CD1 4.02Å; I673-I754 HydrophobicContact CG1-CD1 4.35Å |
| 674 | L | 78 | Confident | 75.8 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128 | 169.6 | -179.9 | 148.2 | 0 | 0 | 0 | 109.4 | F644 E646 L676 T729 | F644-L674 HydrophobicContact CD1-CD2 3.9Å; F644-L674 HydrophobicContact CE1-CD2 3.9Å; E646-L674 HydrophobicContact CB-CB 4.37Å; E646-L674 HydrophobicContact CB-CD2 4.4Å; E646-L674 PolarHBondContact N-O 2.81Å; E646-L674 PolarHBondContact O-N 3.28Å; L674-L676 HydrophobicContact CD2-CD1 3.45Å; L674-L676 VanDerWaalsContact CD2-CD1 3.45Å; L674-L676 HydrophobicContact CG-CD1 4.44Å; L674-T729 HydrophobicContact CB-CG2 4.21Å; L674-T729 HydrophobicContact CD1-CG2 4.11Å; L674-T729 HydrophobicContact CG-CG2 4.14Å |
| 675 | V | 81.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.7 | -179.4 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | I642 F644 L645 I673 W677 F692 L708 I727 T728 | I642-V675 HydrophobicContact CB-CG1 4.4Å; I642-V675 HydrophobicContact CD1-CG1 4.35Å; I642-V675 HydrophobicContact CG1-CG1 3.87Å; I642-V675 HydrophobicContact CG2-CG1 3.94Å; F644-V675 WeakPolarHBondContact O-CA 3.36Å; L645-V675 HydrophobicContact CD1-CG2 4.09Å; I673-V675 HydrophobicContact CG2-CG2 3.76Å; V675-W677 HydrophobicContact CG1-CB 4.16Å; V675-F692 HydrophobicContact CG2-CZ 3.8Å; V675-L708 HydrophobicContact CG2-CD2 3.98Å; V675-I727 WeakPolarHBondContact O-CA 2.98Å; V675-T728 PolarHBondContact N-O 3.3Å; V675-T728 PolarHBondContact O-N 2.96Å |
| 676 | L | 83 | Confident | 76.8 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.7 | 160.3 | -79.4 | 58 | 0 | 0 | 0 | 107.7 | I642 G643 F644 L674 S719 L725 Y726 I727 | I642-L676 CarbonylContact C-O 3.57Å; G643-L676 PolarHBondContact N-O 2.98Å; F644-L676 HydrophobicContact CB-CB 4.06Å; F644-L676 HydrophobicContact CB-CD2 4.36Å; F644-L676 HydrophobicContact CD1-CD1 4.15Å; F644-L676 PolarHBondContact N-O 3.16Å; F644-L676 PolarHBondContact O-N 3.32Å; L674-L676 HydrophobicContact CD2-CD1 3.45Å; L674-L676 VanDerWaalsContact CD2-CD1 3.45Å; L674-L676 HydrophobicContact CG-CD1 4.44Å; L676-S719 VanDerWaalsContact CD2-OG 3.31Å; L676-S719 WeakPolarHBondContact CD2-OG 3.02Å; L676-L725 HydrophobicContact CB-CB 4.24Å; L676-L725 HydrophobicContact CB-CD1 4.1Å; L676-Y726 CarbonylContact C-O 3.59Å; L676-Y726 VanDerWaalsContact CA-O 3.24Å; L676-Y726 WeakPolarHBondContact CA-O 3.44Å; L676-I727 HydrophobicContact CD1-CG1 4.14Å; L676-I727 HydrophobicContact CD1-CG2 4.41Å; L676-I727 HydrophobicContact CG-CG1 4.15Å |
| 677 | W | 86.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.2 | -172.5 | 63.3 | -85.1 | 0 | 0 | 0 | 112.3 | D641 V675 G679 Y686 T688 L710 Q712 L725 Y726 T728 | D641-W677 CarbonylContact O-C 3.55Å; D641-W677 WeakPolarHBondContact O-CA 3.4Å; D641-W677 WeakPolarHBondContact O-CB 3.47Å; V675-W677 HydrophobicContact CG1-CB 4.16Å; W677-G679 PolarHBondContact O-N 3.04Å; W677-Y686 HydrophobicContact CH2-CD1 4.25Å; W677-Y686 AromaticContact CZ3-CD1 3.85Å; W677-Y686 HydrophobicContact CZ3-CD1 3.85Å; W677-Y686 HydrophobicContact CZ3-CE1 4.13Å; W677-T688 HydrophobicContact CZ3-CG2 4.43Å; W677-L710 HydrophobicContact CB-CD1 3.92Å; W677-L710 HydrophobicContact CD2-CB 4.05Å; W677-L710 HydrophobicContact CD2-CD1 3.71Å; W677-L710 HydrophobicContact CD2-CG 4.31Å; W677-L710 HydrophobicContact CE3-CB 4.33Å; W677-L710 HydrophobicContact CE3-CD1 4.07Å; W677-L710 HydrophobicContact CG-CD1 3.63Å; W677-L710 HydrophobicContact CG-CD2 4.27Å; W677-L710 HydrophobicContact CG-CG 4.39Å; W677-L710 HydrophobicContact CH2-CB 4.05Å; W677-L710 HydrophobicContact CZ2-CB 3.77Å; W677-L710 HydrophobicContact CZ3-CB 4.35Å; W677-Q712 HydrophobicContact CH2-CB 3.69Å; W677-Q712 HydrophobicContact CZ2-CB 4.28Å; W677-L725 CarbonylContact O-C 3.58Å; W677-L725 VanDerWaalsContact O-CA 3.26Å; W677-L725 WeakPolarHBondContact O-CA 3.36Å; W677-Y726 PolarHBondContact N-O 2.99Å; W677-Y726 PolarHBondContact NE1-O 3.39Å; W677-Y726 PolarHBondContact O-N 3.25Å; W677-T728 PolarHBondContact NE1-OG1 2.86Å |
| 678 | K | 87.7 | Confident | 79 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123 | -174 | 174.9 | 65.5 | 172.8 | 175.1 | 0 | 110.6 | L637 L638 P639 G640 D641 E724 L725 | L637-K678 HydrophobicContact CB-CB 3.88Å; L637-K678 HydrophobicContact CB-CG 4.06Å; L638-K678 WeakPolarHBondContact O-CB 3.43Å; P639-K678 CarbonylContact C-O 3.52Å; P639-K678 WeakPolarHBondContact CA-O 3.02Å; G640-K678 PolarHBondContact N-O 2.83Å; D641-K678 PolarHBondContact O-N 2.82Å; K678-E724 HydrophobicContact CD-CB 4Å; K678-E724 WeakPolarHBondContact CD-O 3.01Å; K678-E724 VanDerWaalsContact NZ-CD 3.3Å; K678-E724 IonicContact NZ-OE2 2.79Å; K678-E724 PolarHBondContact NZ-OE2 3.5Å; K678-L725 HydrophobicContact CB-CD2 3.83Å; K678-L725 HydrophobicContact CD-CD2 4.39Å |
| 679 | G | 85.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W677 E724 | W677-G679 PolarHBondContact O-N 3.04Å; G679-E724 PolarHBondContact N-O 3.07Å; G679-E724 VanDerWaalsContact N-O 3.12Å |
| 680 | N | 82.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 136.2 | 167.7 | -166 | -5.2 | 0 | 0 | 0 | 110.2 | D682 H683 Y686 Q712 | N680-D682 PolarHBondContact O-N 2.69Å; N680-H683 PolarHBondContact O-N 2.98Å; N680-Y686 HydrophobicContact CB-CG 4.25Å; N680-Q712 PolarHBondContact O-NE2 3.3Å |
| 681 | S | 76.9 | Confident | 82.5 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 60% | 0.601 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.4 | -178.9 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | H683 | S681-H683 PolarHBondContact O-N 2.78Š|
| 682 | D | 77 | Confident | 83.1 | Confident | 93 Ų | 93 | 49 Ų | 49 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -2.5 | -179.3 | -68.6 | 10 | 0 | 0 | 0 | 113.8 | N680 K684 | N680-D682 PolarHBondContact O-N 2.69Å; D682-K684 HydrophobicContact CB-CB 4.46Å; D682-K684 HydrophobicContact CB-CD 4.02Å; D682-K684 HydrophobicContact CB-CG 3.98Å; D682-K684 PolarHBondContact O-N 3.08Å; D682-K684 IonicContact OD2-NZ 2.81Å; D682-K684 PolarHBondContact OD2-NZ 3.28Å; D682-K684 VanDerWaalsContact OD2-NZ 3.09Å |
| 683 | H | 68.5 | Low | 83.8 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | trans | 54.2 | 13.3 | -172.7 | -59.2 | -58.3 | 0 | 0 | 0 | 115.9 | N680 S681 Y726 | N680-H683 PolarHBondContact O-N 2.98Å; S681-H683 PolarHBondContact O-N 2.78Å; H683-Y726 PolarHBondContact ND1-OH 3.01Å | ||
| 684 | K | 74.5 | Confident | 84.1 | Confident | 132 Ų | 132 | 49 Ų | 49 | 57% | 0.574 | 25% | 0.25 | S | C | * | . | trans | -67.7 | 160.2 | 172.9 | -70.1 | 174.3 | -174.7 | 155 | 0 | 110.8 | D682 Y686 | D682-K684 HydrophobicContact CB-CB 4.46Å; D682-K684 HydrophobicContact CB-CD 4.02Å; D682-K684 HydrophobicContact CB-CG 3.98Å; D682-K684 PolarHBondContact O-N 3.08Å; D682-K684 IonicContact OD2-NZ 2.81Å; D682-K684 PolarHBondContact OD2-NZ 3.28Å; D682-K684 VanDerWaalsContact OD2-NZ 3.09Å; K684-Y686 PolarHBondContact O-N 3.01Å | ||
| 685 | I | 80.1 | Confident | 84.5 | Confident | 130 Ų | 130 | 48.4 Ų | 48.4 | 67% | 0.667 | 25% | 0.246 | S | C | * | . | trans | -58.5 | 116.1 | 175.4 | -61 | 173.6 | 0 | 0 | 0 | 108.7 | Q712 | I685-Q712 WeakPolarHBondContact CA-O 3.25Š| ||
| 686 | Y | 85 | Confident | 84.6 | Confident | 60 Ų | 60 | 49 Ų | 49 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.1 | 178.7 | 179.7 | -108.1 | 0 | 0 | 0 | 109 | P639 W677 N680 K684 T688 Q712 | P639-Y686 HydrophobicContact CB-CE1 3.9Å; P639-Y686 HydrophobicContact CB-CE2 4.49Å; P639-Y686 PolarHBondContact O-OH 3.23Å; W677-Y686 HydrophobicContact CH2-CD1 4.25Å; W677-Y686 AromaticContact CZ3-CD1 3.85Å; W677-Y686 HydrophobicContact CZ3-CD1 3.85Å; W677-Y686 HydrophobicContact CZ3-CE1 4.13Å; N680-Y686 HydrophobicContact CB-CG 4.25Å; K684-Y686 PolarHBondContact O-N 3.01Å; Y686-T688 HydrophobicContact CD1-CG2 4.49Å; Y686-T688 HydrophobicContact CE1-CG2 3.78Å; Y686-Q712 PolarHBondContact N-O 3.45Å; Y686-Q712 PolarHBondContact O-N 2.9Å |
| 687 | K | 89.1 | Confident | 84.6 | Confident | 155 Ų | 155 | 50.2 Ų | 50.2 | 67% | 0.674 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126 | -178.3 | -65.1 | -173.5 | -179 | 177.8 | 0 | 109.2 | L710 V711 | K687-L710 WeakPolarHBondContact CA-O 3.23Å; K687-V711 HydrophobicContact CG-CG1 4.13Å; K687-V711 HydrophobicContact CG-CG2 4.18Å |
| 688 | T | 92.6 | Very high | 84.3 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | -169.8 | 171.4 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | W677 Y686 L710 S759 | W677-T688 HydrophobicContact CZ3-CG2 4.43Å; Y686-T688 HydrophobicContact CD1-CG2 4.49Å; Y686-T688 HydrophobicContact CE1-CG2 3.78Å; T688-L710 HydrophobicContact CG2-CB 3.79Å; T688-L710 HydrophobicContact CG2-CD1 4.06Å; T688-L710 HydrophobicContact CG2-CG 4.4Å; T688-L710 PolarHBondContact N-O 2.78Å; T688-L710 PolarHBondContact O-N 3.23Å; T688-S759 VanDerWaalsContact OG1-CB 3.29Å; T688-S759 WeakPolarHBondContact OG1-CB 3.48Å; T688-S759 PolarHBondContact OG1-OG 3.2Å |
| 689 | S | 91.9 | Very high | 84.1 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 151.3 | 174.6 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | K707 L708 | S689-K707 WeakPolarHBondContact OG-CE 3.21Å; S689-L708 CarbonylContact C-O 3.55Å; S689-L708 WeakPolarHBondContact CA-O 3.47Å; S689-L708 WeakPolarHBondContact CB-O 3.47Å |
| 690 | V | 91.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.8 | 170.2 | 171.7 | 0 | 0 | 0 | 0 | 108.8 | I642 F692 L708 L710 A756 A758 | I642-V690 HydrophobicContact CD1-CG1 3.75Å; I642-V690 HydrophobicContact CD1-CG2 3.96Å; I642-V690 HydrophobicContact CG1-CG2 4.07Å; V690-F692 HydrophobicContact CB-CE2 3.96Å; V690-F692 HydrophobicContact CB-CZ 4.11Å; V690-F692 HydrophobicContact CG1-CD1 4.35Å; V690-F692 HydrophobicContact CG1-CD2 4.11Å; V690-F692 HydrophobicContact CG1-CE1 3.87Å; V690-F692 HydrophobicContact CG1-CE2 3.58Å; V690-F692 HydrophobicContact CG1-CG 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.44Å; V690-F692 VanDerWaalsContact CG1-CZ 3.44Å; V690-L708 PolarHBondContact N-O 2.77Å; V690-L708 PolarHBondContact O-N 3.32Å; V690-L710 HydrophobicContact CG2-CD1 3.49Å; V690-L710 VanDerWaalsContact CG2-CD1 3.49Å; V690-L710 HydrophobicContact CG2-CG 4.18Å; V690-A756 HydrophobicContact CG1-CB 3.77Å; V690-A758 HydrophobicContact CG2-CB 4.47Å |
| 691 | V | 91.5 | Very high | 83.9 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.4 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | Q705 L706 K707 A756 V757 | V691-Q705 HydrophobicContact CG1-CB 3.8Å; V691-Q705 HydrophobicContact CG1-CG 4.22Å; V691-L706 CarbonylContact C-O 3.33Å; V691-L706 WeakPolarHBondContact CA-O 3.35Å; V691-K707 HydrophobicContact CG2-CG 4.34Å; V691-A756 CarbonylContact O-C 3.55Å; V691-A756 WeakPolarHBondContact O-CA 3.36Å; V691-V757 PolarHBondContact N-O 2.86Å; V691-V757 PolarHBondContact O-N 3.42Å |
| 692 | F | 89.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.3 | 178.7 | -62.6 | -85.2 | 0 | 0 | 0 | 110.8 | L645 I673 V675 V690 Q705 L706 L708 I754 I755 A756 | L645-F692 HydrophobicContact CD1-CE1 3.7Å; L645-F692 HydrophobicContact CD1-CZ 4.35Å; L645-F692 HydrophobicContact CD2-CE1 4.41Å; I673-F692 HydrophobicContact CD1-CD1 4.45Å; I673-F692 HydrophobicContact CD1-CD2 4.16Å; I673-F692 HydrophobicContact CD1-CE2 4.3Å; I673-F692 HydrophobicContact CD1-CG 4.23Å; I673-F692 HydrophobicContact CG2-CE1 4.02Å; I673-F692 HydrophobicContact CG2-CE2 4.49Å; I673-F692 HydrophobicContact CG2-CZ 3.86Å; V675-F692 HydrophobicContact CG2-CZ 3.8Å; V690-F692 HydrophobicContact CB-CE2 3.96Å; V690-F692 HydrophobicContact CB-CZ 4.11Å; V690-F692 HydrophobicContact CG1-CD1 4.35Å; V690-F692 HydrophobicContact CG1-CD2 4.11Å; V690-F692 HydrophobicContact CG1-CE1 3.87Å; V690-F692 HydrophobicContact CG1-CE2 3.58Å; V690-F692 HydrophobicContact CG1-CG 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.44Å; V690-F692 VanDerWaalsContact CG1-CZ 3.44Å; F692-Q705 WeakPolarHBondContact O-CA 2.98Å; F692-L706 HydrophobicContact CB-CB 4.22Å; F692-L706 PolarHBondContact N-O 2.7Å; F692-L706 PolarHBondContact O-N 2.89Å; F692-L708 HydrophobicContact CD2-CB 4.21Å; F692-L708 HydrophobicContact CE2-CB 3.59Å; F692-L708 HydrophobicContact CE2-CD2 3.83Å; F692-L708 HydrophobicContact CE2-CG 4.37Å; F692-L708 HydrophobicContact CZ-CD2 4.22Å; F692-I754 HydrophobicContact CB-CD1 3.96Å; F692-I754 HydrophobicContact CB-CG1 4.16Å; F692-I754 HydrophobicContact CD1-CD1 3.52Å; F692-I754 HydrophobicContact CD1-CG1 3.87Å; F692-I754 HydrophobicContact CE1-CD1 4.32Å; F692-I754 HydrophobicContact CG-CD1 4Å; F692-I754 HydrophobicContact CG-CG1 4.46Å; F692-I755 CarbonylContact C-O 3.6Å; F692-I755 VanDerWaalsContact CA-O 3.27Å; F692-I755 WeakPolarHBondContact CA-O 3.48Å; F692-A756 HydrophobicContact CD1-CB 3.54Å; F692-A756 HydrophobicContact CE1-CB 3.33Å; F692-A756 HydrophobicContact CZ-CB 4.24Å |
| 693 | T | 88.1 | Confident | 83.8 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 14% | 0.135 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.5 | 168.9 | -55.8 | 0 | 0 | 0 | 0 | 108.2 | P701 Q705 I755 | T693-P701 HydrophobicContact CG2-CB 4.03Å; T693-Q705 PolarHBondContact OG1-NE2 3.29Å; T693-I755 PolarHBondContact N-O 3.02Å; T693-I755 PolarHBondContact O-N 3.37Å |
| 694 | L | 87 | Confident | 84.1 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.4 | 176.8 | -170.7 | 71.1 | 0 | 0 | 0 | 109.5 | P701 C702 F732 L737 W752 I754 F768 | L694-P701 CarbonylContact O-C 3.55Å; L694-P701 WeakPolarHBondContact O-CA 3.08Å; L694-C702 HydrophobicContact CB-CB 4.42Å; L694-C702 PolarHBondContact O-N 3.39Å; L694-C702 PolarHBondContact O-SG 2.76Å; L694-F732 HydrophobicContact CD2-CE1 4.12Å; L694-F732 HydrophobicContact CD2-CZ 3.96Å; L694-L737 HydrophobicContact CD2-CD2 3.62Å; L694-W752 HydrophobicContact CD1-CE3 4.04Å; L694-W752 HydrophobicContact CD2-CD2 4.48Å; L694-W752 HydrophobicContact CD2-CE3 3.4Å; L694-W752 HydrophobicContact CD2-CZ3 3.43Å; L694-W752 VanDerWaalsContact CD2-CZ3 3.43Å; L694-W752 HydrophobicContact CG-CE3 3.54Å; L694-W752 HydrophobicContact CG-CZ3 3.85Å; L694-I754 HydrophobicContact CD1-CB 4.09Å; L694-I754 HydrophobicContact CD1-CG1 4.4Å; L694-F768 HydrophobicContact CD1-CE1 3.74Å; L694-F768 HydrophobicContact CD1-CZ 3.79Å |
| 695 | I | 86.3 | Confident | 84.5 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.9 | 177.7 | -58.1 | 176.6 | 0 | 0 | 0 | 107.4 | P701 T753 I755 | I695-P701 HydrophobicContact CG1-CB 4.32Å; I695-T753 PolarHBondContact N-O 3.12Å; I695-T753 PolarHBondContact O-N 2.93Å; I695-I755 HydrophobicContact CD1-CD1 3.41Å; I695-I755 VanDerWaalsContact CD1-CD1 3.41Å; I695-I755 HydrophobicContact CD1-CG1 3.88Å; I695-I755 HydrophobicContact CG1-CD1 4.48Å |
| 696 | N | 83.9 | Confident | 84.7 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | trans | -77.3 | 169.4 | 179.8 | 76.4 | 12 | 0 | 0 | 0 | 111.8 | L698 G699 I700 W752 | N696-L698 PolarHBondContact O-N 3.41Å; N696-L698 WeakPolarHBondContact OD1-CA 3.38Å; N696-L698 WeakPolarHBondContact OD1-CB 3.27Å; N696-L698 PolarHBondContact OD1-N 3.49Å; N696-G699 PolarHBondContact O-N 3.2Å; N696-G699 PolarHBondContact OD1-N 3.42Å; N696-I700 PolarHBondContact N-O 3.49Å; N696-I700 PolarHBondContact OD1-N 3.07Å; N696-I700 PolarHBondContact OD1-O 2.9Å; N696-W752 HydrophobicContact CB-CD2 4.43Å; N696-W752 HydrophobicContact CB-CE3 3.98Å; N696-W752 HydrophobicContact CB-CH2 3.48Å; N696-W752 VanDerWaalsContact CB-CH2 3.48Å; N696-W752 HydrophobicContact CB-CZ2 3.92Å; N696-W752 HydrophobicContact CB-CZ3 3.5Å; N696-W752 VanDerWaalsContact CB-CZ3 3.5Å | ||
| 697 | P | 82.1 | Confident | 84.7 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.4 | -179.6 | -26.7 | 35.2 | 0 | 0 | 0 | 115.2 | G699 V748 E751 W752 | P697-G699 VanDerWaalsContact C-N 3.29Å; P697-V748 HydrophobicContact CB-CG1 4Å; P697-V748 HydrophobicContact CG-CB 4.33Å; P697-V748 HydrophobicContact CG-CG1 4.03Å; P697-E751 WeakPolarHBondContact CA-O 3.23Å; P697-W752 VanDerWaalsContact CD-CE2 3.45Å; P697-W752 HydrophobicContact CG-CG 4.35Å |
| 698 | L | 80.5 | Confident | 84.7 | Confident | 110 Ų | 110 | 55 Ų | 55 | 58% | 0.576 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.4 | 174.6 | -57.3 | 176 | 0 | 0 | 0 | 112.6 | N696 I700 V748 | N696-L698 PolarHBondContact O-N 3.41Å; N696-L698 WeakPolarHBondContact OD1-CA 3.38Å; N696-L698 WeakPolarHBondContact OD1-CB 3.27Å; N696-L698 PolarHBondContact OD1-N 3.49Å; L698-I700 VanDerWaalsContact C-N 3.32Å; L698-I700 HydrophobicContact CB-CD1 4.16Å; L698-I700 HydrophobicContact CB-CG1 4.28Å; L698-V748 HydrophobicContact CD1-CG2 4.11Å; L698-V748 HydrophobicContact CG-CG1 4.35Å; L698-V748 HydrophobicContact CG-CG2 4.45Å |
| 699 | G | 82.8 | Confident | 84.5 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 79.6 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N696 P697 | N696-G699 PolarHBondContact O-N 3.2Å; N696-G699 PolarHBondContact OD1-N 3.42Å; P697-G699 VanDerWaalsContact C-N 3.29Å |
| 700 | I | 80.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 123.4 | -177.2 | -56.8 | 168.9 | 0 | 0 | 0 | 109.3 | N696 L698 | N696-I700 PolarHBondContact N-O 3.49Å; N696-I700 PolarHBondContact OD1-N 3.07Å; N696-I700 PolarHBondContact OD1-O 2.9Å; L698-I700 VanDerWaalsContact C-N 3.32Å; L698-I700 HydrophobicContact CB-CD1 4.16Å; L698-I700 HydrophobicContact CB-CG1 4.28Å |
| 701 | P | 83.1 | Confident | 84.1 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 139.6 | 175.7 | 30.1 | -33.1 | 0 | 0 | 0 | 111.3 | T693 L694 I695 | T693-P701 HydrophobicContact CG2-CB 4.03Å; L694-P701 CarbonylContact O-C 3.55Å; L694-P701 WeakPolarHBondContact O-CA 3.08Å; I695-P701 HydrophobicContact CG1-CB 4.32Å |
| 702 | C | 80.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 134.9 | 175.8 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | L694 K704 C740 | L694-C702 HydrophobicContact CB-CB 4.42Å; L694-C702 PolarHBondContact O-N 3.39Å; L694-C702 PolarHBondContact O-SG 2.76Å; C702-K704 VanDerWaalsContact C-N 3.3Å; C702-K704 PolarHBondContact O-N 2.72Å; C702-C740 HydrophobicContact CB-CB 3.88Å; C702-C740 WeakPolarHBondContact CB-SG 3.32Å; C702-C740 WeakPolarHBondContact SG-CB 3.21Å; C702-C740 CovalentContact SG-SG 2Å; C702-C740 PolarHBondContact SG-SG 2.99Å |
| 703 | L | 70.8 | Confident | 83.2 | Confident | 170 Ų | 170 | 59.6 Ų | 59.6 | 89% | 0.89 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -60.4 | -35.4 | -178 | -78.2 | 156.8 | 0 | 0 | 0 | 113.7 | ||
| 704 | K | 75.8 | Confident | 82.4 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -90.3 | 113.3 | -178.9 | -71.3 | -175.2 | -176.8 | 170 | 0 | 110.6 | C702 N739 | C702-K704 VanDerWaalsContact C-N 3.3Å; C702-K704 PolarHBondContact O-N 2.72Å; K704-N739 HydrophobicContact CD-CB 4.07Å; K704-N739 PolarHBondContact NZ-ND2 3.25Å; K704-N739 PolarHBondContact NZ-OD1 3.19Å |
| 705 | Q | 82 | Confident | 81.4 | Confident | 129 Ų | 129 | 74.1 Ų | 74.1 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 143.8 | 170.7 | -64.6 | -179.3 | -25.1 | 0 | 0 | 110.8 | V691 F692 T693 | V691-Q705 HydrophobicContact CG1-CB 3.8Å; V691-Q705 HydrophobicContact CG1-CG 4.22Å; F692-Q705 WeakPolarHBondContact O-CA 2.98Å; T693-Q705 PolarHBondContact OG1-NE2 3.29Å |
| 706 | L | 83.6 | Confident | 80.4 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 17% | 0.168 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.6 | 174.7 | 172 | 66.9 | 0 | 0 | 0 | 109.3 | I673 V691 F692 F732 I736 | I673-L706 HydrophobicContact CD1-CD2 3.49Å; I673-L706 VanDerWaalsContact CD1-CD2 3.49Å; V691-L706 CarbonylContact C-O 3.33Å; V691-L706 WeakPolarHBondContact CA-O 3.35Å; F692-L706 HydrophobicContact CB-CB 4.22Å; F692-L706 PolarHBondContact N-O 2.7Å; F692-L706 PolarHBondContact O-N 2.89Å; L706-F732 HydrophobicContact CD2-CD2 3.97Å; L706-F732 HydrophobicContact CD2-CE2 3.95Å; L706-I736 HydrophobicContact CB-CD1 4.35Å; L706-I736 HydrophobicContact CD1-CD1 3.9Å; L706-I736 HydrophobicContact CD2-CD1 4.26Å; L706-I736 HydrophobicContact CG-CD1 4.4Å |
| 707 | K | 86.5 | Confident | 79.5 | Confident | 142 Ų | 142 | 77 Ų | 77 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.4 | 175.7 | -170.1 | 174.6 | -175.5 | 177 | 0 | 109.9 | S689 V691 | S689-K707 WeakPolarHBondContact OG-CE 3.21Å; V691-K707 HydrophobicContact CG2-CG 4.34Å |
| 708 | L | 87.5 | Confident | 78.5 | Confident | 10 Ų | 10 | 81 Ų | 81 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117 | 176.6 | 179.5 | 55.2 | 0 | 0 | 0 | 109.8 | V675 S689 V690 F692 L710 T728 | V675-L708 HydrophobicContact CG2-CD2 3.98Å; S689-L708 CarbonylContact C-O 3.55Å; S689-L708 WeakPolarHBondContact CA-O 3.47Å; S689-L708 WeakPolarHBondContact CB-O 3.47Å; V690-L708 PolarHBondContact N-O 2.77Å; V690-L708 PolarHBondContact O-N 3.32Å; F692-L708 HydrophobicContact CD2-CB 4.21Å; F692-L708 HydrophobicContact CE2-CB 3.59Å; F692-L708 HydrophobicContact CE2-CD2 3.83Å; F692-L708 HydrophobicContact CE2-CG 4.37Å; F692-L708 HydrophobicContact CZ-CD2 4.22Å; L708-L710 HydrophobicContact CD2-CD2 4.27Å; L708-L710 HydrophobicContact CG-CD2 4.23Å; L708-L710 PolarHBondContact O-N 3.43Å; L708-T728 HydrophobicContact CD1-CG2 4.32Å; L708-T728 HydrophobicContact CD2-CG2 4.24Å; L708-T728 HydrophobicContact CG-CG2 4.38Å |
| 709 | P | 88.9 | Confident | 77.2 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.3 | 170.3 | 27.6 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 710 | L | 89.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.4 | 171.2 | -60 | -174.9 | 0 | 0 | 0 | 108 | W677 K687 T688 V690 L708 T728 | W677-L710 HydrophobicContact CB-CD1 3.92Å; W677-L710 HydrophobicContact CD2-CB 4.05Å; W677-L710 HydrophobicContact CD2-CD1 3.71Å; W677-L710 HydrophobicContact CD2-CG 4.31Å; W677-L710 HydrophobicContact CE3-CB 4.33Å; W677-L710 HydrophobicContact CE3-CD1 4.07Å; W677-L710 HydrophobicContact CG-CD1 3.63Å; W677-L710 HydrophobicContact CG-CD2 4.27Å; W677-L710 HydrophobicContact CG-CG 4.39Å; W677-L710 HydrophobicContact CH2-CB 4.05Å; W677-L710 HydrophobicContact CZ2-CB 3.77Å; W677-L710 HydrophobicContact CZ3-CB 4.35Å; K687-L710 WeakPolarHBondContact CA-O 3.23Å; T688-L710 HydrophobicContact CG2-CB 3.79Å; T688-L710 HydrophobicContact CG2-CD1 4.06Å; T688-L710 HydrophobicContact CG2-CG 4.4Å; T688-L710 PolarHBondContact N-O 2.78Å; T688-L710 PolarHBondContact O-N 3.23Å; V690-L710 HydrophobicContact CG2-CD1 3.49Å; V690-L710 VanDerWaalsContact CG2-CD1 3.49Å; V690-L710 HydrophobicContact CG2-CG 4.18Å; L708-L710 HydrophobicContact CD2-CD2 4.27Å; L708-L710 HydrophobicContact CG-CD2 4.23Å; L708-L710 PolarHBondContact O-N 3.43Å; L710-T728 HydrophobicContact CD2-CG2 3.91Å |
| 711 | V | 85.4 | Confident | 73.7 | Confident | 45 Ų | 45 | 71.8 Ų | 71.8 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.2 | -177.2 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | K687 N713 T716 | K687-V711 HydrophobicContact CG-CG1 4.13Å; K687-V711 HydrophobicContact CG-CG2 4.18Å; V711-N713 HydrophobicContact CG1-CB 4.43Å; V711-T716 WeakPolarHBondContact O-CG2 3.05Å; V711-T716 PolarHBondContact O-OG1 2.81Å |
| 712 | Q | 84 | Confident | 72.5 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.4 | 167.5 | 177.3 | -179.9 | 5.2 | 0 | 0 | 108.3 | W677 N680 I685 Y686 T716 Y726 | W677-Q712 HydrophobicContact CH2-CB 3.69Å; W677-Q712 HydrophobicContact CZ2-CB 4.28Å; N680-Q712 PolarHBondContact O-NE2 3.3Å; I685-Q712 WeakPolarHBondContact CA-O 3.25Å; Y686-Q712 PolarHBondContact N-O 3.45Å; Y686-Q712 PolarHBondContact O-N 2.9Å; Q712-T716 WeakPolarHBondContact CA-OG1 3.36Å; Q712-Y726 HydrophobicContact CG-CD1 4.38Å; Q712-Y726 HydrophobicContact CG-CD2 4.48Å; Q712-Y726 HydrophobicContact CG-CE1 3.85Å; Q712-Y726 HydrophobicContact CG-CE2 3.99Å; Q712-Y726 VanDerWaalsContact NE2-CZ 3.28Å; Q712-Y726 PolarHBondContact NE2-OH 2.89Å |
| 713 | N | 77.9 | Confident | 71.7 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -148.5 | -177.6 | 173.6 | 67 | 47.8 | 0 | 0 | 0 | 109.2 | V711 H715 T716 | V711-N713 HydrophobicContact CG1-CB 4.43Å; N713-H715 PolarHBondContact O-N 3.48Å; N713-H715 VanDerWaalsContact O-N 3.08Å; N713-H715 VanDerWaalsContact OD1-CA 3.31Å; N713-H715 WeakPolarHBondContact OD1-CA 2.93Å; N713-H715 WeakPolarHBondContact OD1-CB 3.34Å; N713-H715 PolarHBondContact OD1-N 3.31Å; N713-T716 PolarHBondContact N-OG1 2.75Å; N713-T716 PolarHBondContact O-N 3.36Å; N713-T716 VanDerWaalsContact O-N 3.07Å; N713-T716 PolarHBondContact O-OG1 2.93Å; N713-T716 PolarHBondContact OD1-N 2.98Å; N713-T716 PolarHBondContact OD1-OG1 3.05Å |
| 714 | K | 72.2 | Confident | 71.7 | Confident | 188 Ų | 188 | 67.2 Ų | 67.2 | 82% | 0.817 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.6 | -179.1 | 65.1 | 178.8 | 178.9 | 176.3 | 0 | 115.4 | ||
| 715 | H | 65.9 | Low | 71.8 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 67% | 0.671 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -4.3 | 178.8 | -55.5 | -64.2 | 0 | 0 | 0 | 112.9 | N713 V717 | N713-H715 PolarHBondContact O-N 3.48Å; N713-H715 VanDerWaalsContact O-N 3.08Å; N713-H715 VanDerWaalsContact OD1-CA 3.31Å; N713-H715 WeakPolarHBondContact OD1-CA 2.93Å; N713-H715 WeakPolarHBondContact OD1-CB 3.34Å; N713-H715 PolarHBondContact OD1-N 3.31Å; H715-V717 PolarHBondContact O-N 2.9Å |
| 716 | T | 65.4 | Low | 71.7 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -75.9 | 120.9 | 178.6 | -45.6 | 0 | 0 | 0 | 0 | 109.5 | V711 Q712 N713 Y726 | V711-T716 WeakPolarHBondContact O-CG2 3.05Å; V711-T716 PolarHBondContact O-OG1 2.81Å; Q712-T716 WeakPolarHBondContact CA-OG1 3.36Å; N713-T716 PolarHBondContact N-OG1 2.75Å; N713-T716 PolarHBondContact O-N 3.36Å; N713-T716 VanDerWaalsContact O-N 3.07Å; N713-T716 PolarHBondContact O-OG1 2.93Å; N713-T716 PolarHBondContact OD1-N 2.98Å; N713-T716 PolarHBondContact OD1-OG1 3.05Å; T716-Y726 HydrophobicContact CG2-CD1 3.59Å; T716-Y726 HydrophobicContact CG2-CG 4.18Å |
| 717 | V | 64.1 | Low | 71.4 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 133.7 | -177.9 | -176.5 | 0 | 0 | 0 | 0 | 110 | H715 Y726 I727 | H715-V717 PolarHBondContact O-N 2.9Å; V717-Y726 CarbonylContact O-C 3.37Å; V717-Y726 WeakPolarHBondContact O-CA 3.41Å; V717-I727 HydrophobicContact CB-CB 4.39Å; V717-I727 HydrophobicContact CG1-CD1 3.99Å; V717-I727 HydrophobicContact CG1-CG1 4.49Å; V717-I727 PolarHBondContact O-N 3.37Å |
| 718 | R | 61.2 | Low | 70.9 | Confident | 131 Ų | 131 | 51.6 Ų | 51.6 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -92.1 | 146.7 | 173.2 | -72 | -175.1 | -68 | -179 | 1.7 | 110.7 | P723 L725 Y726 | R718-P723 WeakPolarHBondContact CD-O 3.15Å; R718-L725 CarbonylContact C-O 3.5Å; R718-L725 WeakPolarHBondContact CA-O 3.3Å; R718-Y726 HydrophobicContact CG-CD1 3.69Å; R718-Y726 HydrophobicContact CG-CE1 3.36Å; R718-Y726 HydrophobicContact CG-CE2 4.27Å; R718-Y726 HydrophobicContact CG-CG 4.3Å |
| 719 | S | 53.9 | Low | 70.4 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.7 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | L676 M722 P723 L725 | L676-S719 VanDerWaalsContact CD2-OG 3.31Å; L676-S719 WeakPolarHBondContact CD2-OG 3.02Å; S719-M722 CarbonylContact O-C 3.54Å; S719-M722 PolarHBondContact O-N 2.9Å; S719-P723 WeakPolarHBondContact O-CA 3.42Å; S719-P723 VanDerWaalsContact O-N 3.08Å; S719-L725 PolarHBondContact N-O 3.24Å |
| 720 | L | 44.9 | Very low | 69.7 | Low | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -79.3 | -31.6 | -176.7 | -136.7 | 122.3 | 0 | 0 | 0 | 112.4 | W569 M722 | W569-L720 HydrophobicContact CB-CB 3.1Å; W569-L720 HydrophobicContact CB-CD1 3.64Å; W569-L720 HydrophobicContact CB-CD2 3.78Å; W569-L720 HydrophobicContact CB-CG 3.65Å; W569-L720 HydrophobicContact CD2-CB 3.61Å; W569-L720 HydrophobicContact CD2-CD2 4.01Å; W569-L720 HydrophobicContact CD2-CG 4.4Å; W569-L720 HydrophobicContact CE3-CB 3.93Å; W569-L720 HydrophobicContact CE3-CD2 3.43Å; W569-L720 VanDerWaalsContact CE3-CD2 3.43Å; W569-L720 HydrophobicContact CE3-CG 4.28Å; W569-L720 HydrophobicContact CG-CB 3.35Å; W569-L720 HydrophobicContact CG-CD2 4.25Å; W569-L720 HydrophobicContact CG-CG 4.26Å; W569-L720 HydrophobicContact CZ3-CD2 4.2Å; W569-L720 WeakPolarHBondContact O-CD2 3.36Å; L720-M722 PolarHBondContact O-N 3.03Å |
| 721 | A | 44.4 | Very low | 68.9 | Low | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -60.4 | -28.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W569 L581 W584 | W569-A721 HydrophobicContact CH2-CB 4.23Å; W569-A721 HydrophobicContact CZ2-CB 3.27Å; L581-A721 VanDerWaalsContact CD1-O 3.27Å; L581-A721 WeakPolarHBondContact CD1-O 3.45Å; W584-A721 HydrophobicContact CE3-CB 4.4Å; W584-A721 HydrophobicContact CZ3-CB 3.98Å |
| 722 | M | 58.4 | Low | 68.2 | Low | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -145.3 | 76.5 | -172.1 | -55.6 | -177 | -162.2 | 0 | 0 | 107.3 | F628 I634 S719 L720 E724 L725 | F628-M722 HydrophobicContact CD1-CE 4.36Å; F628-M722 HydrophobicContact CE1-CE 3.78Å; I634-M722 HydrophobicContact CD1-CB 3.76Å; I634-M722 HydrophobicContact CD1-CE 4.45Å; I634-M722 HydrophobicContact CD1-CG 3.36Å; I634-M722 HydrophobicContact CD1-SD 3.44Å; I634-M722 WeakPolarHBondContact CD1-SD 3.23Å; I634-M722 HydrophobicContact CG1-CG 4.3Å; I634-M722 HydrophobicContact CG1-SD 3.81Å; S719-M722 CarbonylContact O-C 3.54Å; S719-M722 PolarHBondContact O-N 2.9Å; L720-M722 PolarHBondContact O-N 3.03Å; M722-E724 PolarHBondContact O-N 3.29Å; M722-L725 HydrophobicContact CB-CB 4.25Å; M722-L725 HydrophobicContact CB-CD1 3.77Å; M722-L725 HydrophobicContact CB-CG 3.82Å; M722-L725 HydrophobicContact CG-CD1 4.25Å; M722-L725 WeakPolarHBondContact O-CB 3.25Å; M722-L725 PolarHBondContact O-N 3.42Å; M722-L725 HydrophobicContact SD-CD1 3.51Å; M722-L725 VanDerWaalsContact SD-CD1 3.51Å |
| 723 | P | 62.7 | Low | 67.2 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.9 | -170.7 | -27.2 | 35.4 | 0 | 0 | 0 | 114.8 | R718 S719 L725 | R718-P723 WeakPolarHBondContact CD-O 3.15Å; S719-P723 WeakPolarHBondContact O-CA 3.42Å; S719-P723 VanDerWaalsContact O-N 3.08Å; P723-L725 VanDerWaalsContact C-N 3.3Å |
| 724 | E | 71.6 | Confident | 66.4 | Low | 88 Ų | 88 | 63.9 Ų | 63.9 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.8 | 174.7 | -65.6 | -172.7 | -169 | 0 | 0 | 114.1 | I634 K678 G679 M722 | I634-E724 HydrophobicContact CG2-CB 3.99Å; K678-E724 HydrophobicContact CD-CB 4Å; K678-E724 WeakPolarHBondContact CD-O 3.01Å; K678-E724 VanDerWaalsContact NZ-CD 3.3Å; K678-E724 IonicContact NZ-OE2 2.79Å; K678-E724 PolarHBondContact NZ-OE2 3.5Å; G679-E724 PolarHBondContact N-O 3.07Å; G679-E724 VanDerWaalsContact N-O 3.12Å; M722-E724 PolarHBondContact O-N 3.29Å |
| 725 | L | 77.7 | Confident | 65.9 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 144.1 | -179.6 | -54.5 | -174 | 0 | 0 | 0 | 110.9 | I634 L637 L676 W677 K678 R718 S719 M722 P723 | I634-L725 HydrophobicContact CG2-CD2 3.95Å; I634-L725 HydrophobicContact CG2-CG 4.13Å; L637-L725 HydrophobicContact CD1-CD2 3.89Å; L676-L725 HydrophobicContact CB-CB 4.24Å; L676-L725 HydrophobicContact CB-CD1 4.1Å; W677-L725 CarbonylContact O-C 3.58Å; W677-L725 VanDerWaalsContact O-CA 3.26Å; W677-L725 WeakPolarHBondContact O-CA 3.36Å; K678-L725 HydrophobicContact CB-CD2 3.83Å; K678-L725 HydrophobicContact CD-CD2 4.39Å; R718-L725 CarbonylContact C-O 3.5Å; R718-L725 WeakPolarHBondContact CA-O 3.3Å; S719-L725 PolarHBondContact N-O 3.24Å; M722-L725 HydrophobicContact CB-CB 4.25Å; M722-L725 HydrophobicContact CB-CD1 3.77Å; M722-L725 HydrophobicContact CB-CG 3.82Å; M722-L725 HydrophobicContact CG-CD1 4.25Å; M722-L725 WeakPolarHBondContact O-CB 3.25Å; M722-L725 PolarHBondContact O-N 3.42Å; M722-L725 HydrophobicContact SD-CD1 3.51Å; M722-L725 VanDerWaalsContact SD-CD1 3.51Å; P723-L725 VanDerWaalsContact C-N 3.3Å |
| 726 | Y | 80.1 | Confident | 65.6 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.8 | 176.8 | -73.5 | -95.3 | 0 | 0 | 0 | 110.2 | L676 W677 H683 Q712 T716 V717 R718 | L676-Y726 CarbonylContact C-O 3.59Å; L676-Y726 VanDerWaalsContact CA-O 3.24Å; L676-Y726 WeakPolarHBondContact CA-O 3.44Å; W677-Y726 PolarHBondContact N-O 2.99Å; W677-Y726 PolarHBondContact NE1-O 3.39Å; W677-Y726 PolarHBondContact O-N 3.25Å; H683-Y726 PolarHBondContact ND1-OH 3.01Å; Q712-Y726 HydrophobicContact CG-CD1 4.38Å; Q712-Y726 HydrophobicContact CG-CD2 4.48Å; Q712-Y726 HydrophobicContact CG-CE1 3.85Å; Q712-Y726 HydrophobicContact CG-CE2 3.99Å; Q712-Y726 VanDerWaalsContact NE2-CZ 3.28Å; Q712-Y726 PolarHBondContact NE2-OH 2.89Å; T716-Y726 HydrophobicContact CG2-CD1 3.59Å; T716-Y726 HydrophobicContact CG2-CG 4.18Å; V717-Y726 CarbonylContact O-C 3.37Å; V717-Y726 WeakPolarHBondContact O-CA 3.41Å; R718-Y726 HydrophobicContact CG-CD1 3.69Å; R718-Y726 HydrophobicContact CG-CE1 3.36Å; R718-Y726 HydrophobicContact CG-CE2 4.27Å; R718-Y726 HydrophobicContact CG-CG 4.3Å |
| 727 | I | 76.4 | Confident | 65.6 | Low | 53 Ų | 53 | 52.5 Ų | 52.5 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133 | -179 | -52.2 | 178.5 | 0 | 0 | 0 | 108.9 | V675 L676 V717 | V675-I727 WeakPolarHBondContact O-CA 2.98Å; L676-I727 HydrophobicContact CD1-CG1 4.14Å; L676-I727 HydrophobicContact CD1-CG2 4.41Å; L676-I727 HydrophobicContact CG-CG1 4.15Å; V717-I727 HydrophobicContact CB-CB 4.39Å; V717-I727 HydrophobicContact CG1-CD1 3.99Å; V717-I727 HydrophobicContact CG1-CG1 4.49Å; V717-I727 PolarHBondContact O-N 3.37Å |
| 728 | T | 77.2 | Confident | 65.4 | Low | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.2 | 171.2 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | V675 W677 L708 L710 | V675-T728 PolarHBondContact N-O 3.3Å; V675-T728 PolarHBondContact O-N 2.96Å; W677-T728 PolarHBondContact NE1-OG1 2.86Å; L708-T728 HydrophobicContact CD1-CG2 4.32Å; L708-T728 HydrophobicContact CD2-CG2 4.24Å; L708-T728 HydrophobicContact CG-CG2 4.38Å; L710-T728 HydrophobicContact CD2-CG2 3.91Å |
| 729 | T | 76 | Confident | 65.4 | Low | 85 Ų | 85 | 49.3 Ų | 49.3 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151 | 178 | 58.4 | 0 | 0 | 0 | 0 | 111 | I673 L674 | I673-T729 CarbonylContact O-C 3.04Å; I673-T729 WeakPolarHBondContact O-CA 3.21Å; L674-T729 HydrophobicContact CB-CG2 4.21Å; L674-T729 HydrophobicContact CD1-CG2 4.11Å; L674-T729 HydrophobicContact CG-CG2 4.14Å |
| 730 | S | 75.8 | Confident | 65.7 | Low | 30 Ų | 30 | 49.9 Ų | 49.9 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 134.4 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 111 | T672 I673 F732 | T672-S730 WeakPolarHBondContact CA-O 3.44Å; I673-S730 PolarHBondContact N-O 2.79Å; I673-S730 PolarHBondContact O-N 2.87Å; S730-F732 PolarHBondContact O-N 2.7Å |
| 731 | L | 71.7 | Confident | 66.3 | Low | 111 Ų | 111 | 48.6 Ų | 48.6 | 58% | 0.581 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.8 | 172.7 | -56.2 | 179.3 | 0 | 0 | 0 | 109.8 | T670 K733 | T670-L731 HydrophobicContact CG2-CB 4.24Å; T670-L731 HydrophobicContact CG2-CD1 4.34Å; T670-L731 HydrophobicContact CG2-CD2 3.85Å; T670-L731 HydrophobicContact CG2-CG 4.36Å; L731-K733 PolarHBondContact O-N 2.97Å |
| 732 | F | 70.7 | Confident | 66.8 | Low | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102.2 | 172.8 | -151.8 | -94.8 | 0 | 0 | 0 | 107.8 | L671 I673 L694 L706 S730 N734 I736 L737 I754 | L671-F732 HydrophobicContact CB-CB 3.87Å; L671-F732 WeakPolarHBondContact O-CB 3.44Å; L671-F732 PolarHBondContact O-N 3.23Å; I673-F732 HydrophobicContact CD1-CD2 3.63Å; I673-F732 HydrophobicContact CD1-CE2 3.98Å; I673-F732 HydrophobicContact CG1-CD2 3.85Å; I673-F732 HydrophobicContact CG1-CE2 4.49Å; L694-F732 HydrophobicContact CD2-CE1 4.12Å; L694-F732 HydrophobicContact CD2-CZ 3.96Å; L706-F732 HydrophobicContact CD2-CD2 3.97Å; L706-F732 HydrophobicContact CD2-CE2 3.95Å; S730-F732 PolarHBondContact O-N 2.7Å; F732-N734 PolarHBondContact O-N 3.33Å; F732-I736 HydrophobicContact CE1-CB 4.04Å; F732-I736 HydrophobicContact CE1-CG2 3.9Å; F732-I736 HydrophobicContact CZ-CB 4.37Å; F732-I736 HydrophobicContact CZ-CG2 3.79Å; F732-L737 HydrophobicContact CD1-CD1 4.37Å; F732-L737 HydrophobicContact CD1-CD2 4.22Å; F732-L737 HydrophobicContact CD1-CG 3.96Å; F732-L737 HydrophobicContact CE1-CD2 3.67Å; F732-L737 HydrophobicContact CE1-CG 3.74Å; F732-I754 HydrophobicContact CE2-CD1 4.3Å |
| 733 | K | 63.6 | Low | 66.5 | Low | 153 Ų | 153 | 65.3 Ų | 65.3 | 67% | 0.665 | 34% | 0.34 | S | S | * | . | trans | -65.7 | 131.6 | 179.4 | -68.2 | -175.2 | 178.3 | -178.2 | 0 | 109.8 | L731 T735 I736 | L731-K733 PolarHBondContact O-N 2.97Å; K733-T735 PolarHBondContact O-N 2.91Å; K733-I736 WeakPolarHBondContact O-CB 3.41Å; K733-I736 PolarHBondContact O-N 2.03Å | ||
| 734 | N | 61.2 | Low | 65.9 | Low | 72 Ų | 72 | 69.6 Ų | 69.6 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.2 | -26 | 177.2 | -83.4 | -1.5 | 0 | 0 | 0 | 113.7 | L667 F732 I736 L737 T738 | L667-N734 PolarHBondContact O-ND2 3.49Å; F732-N734 PolarHBondContact O-N 3.33Å; N734-I736 PolarHBondContact O-N 2.79Å; N734-L737 WeakPolarHBondContact O-CB 3.4Å; N734-L737 PolarHBondContact O-N 3.48Å; N734-T738 PolarHBondContact O-N 3.31Å; N734-T738 PolarHBondContact O-OG1 2.81Å |
| 735 | T | 60.3 | Low | 64.8 | Low | 84 Ų | 84 | 68.6 Ų | 68.6 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.7 | -26.4 | 174.4 | 54 | 0 | 0 | 0 | 0 | 113.7 | K733 T738 N739 | K733-T735 PolarHBondContact O-N 2.91Å; T735-T738 WeakPolarHBondContact CA-OG1 3.34Å; T735-T738 PolarHBondContact O-OG1 3.45Å; T735-T738 VanDerWaalsContact O-OG1 3.06Å; T735-N739 VanDerWaalsContact O-CG 3.31Å; T735-N739 PolarHBondContact O-N 3.02Å; T735-N739 PolarHBondContact O-ND2 3.31Å |
| 736 | I | 60.8 | Low | 63.9 | Low | 31 Ų | 31 | 74.4 Ų | 74.4 | 16% | 0.159 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.6 | -42.6 | 176.4 | -60.6 | 173.5 | 0 | 0 | 0 | 109.7 | L706 F732 K733 N734 T738 N739 C740 | L706-I736 HydrophobicContact CB-CD1 4.35Å; L706-I736 HydrophobicContact CD1-CD1 3.9Å; L706-I736 HydrophobicContact CD2-CD1 4.26Å; L706-I736 HydrophobicContact CG-CD1 4.4Å; F732-I736 HydrophobicContact CE1-CB 4.04Å; F732-I736 HydrophobicContact CE1-CG2 3.9Å; F732-I736 HydrophobicContact CZ-CB 4.37Å; F732-I736 HydrophobicContact CZ-CG2 3.79Å; K733-I736 WeakPolarHBondContact O-CB 3.41Å; K733-I736 PolarHBondContact O-N 2.03Å; N734-I736 PolarHBondContact O-N 2.79Å; I736-T738 VanDerWaalsContact C-N 3.35Å; I736-T738 PolarHBondContact O-N 2.89Å; I736-N739 PolarHBondContact O-N 3.15Å; I736-C740 PolarHBondContact O-N 3.15Å; I736-C740 PolarHBondContact O-SG 2.92Å; I736-C740 VanDerWaalsContact O-SG 3.41Å |
| 737 | L | 64.1 | Low | 63.1 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.6 | -66.8 | 169.5 | 0 | 0 | 0 | 111.7 | L667 L671 L694 F732 N734 N739 C740 V741 I747 L770 | L667-L737 HydrophobicContact CD2-CD1 3.74Å; L671-L737 HydrophobicContact CD1-CD1 3.85Å; L694-L737 HydrophobicContact CD2-CD2 3.62Å; F732-L737 HydrophobicContact CD1-CD1 4.37Å; F732-L737 HydrophobicContact CD1-CD2 4.22Å; F732-L737 HydrophobicContact CD1-CG 3.96Å; F732-L737 HydrophobicContact CE1-CD2 3.67Å; F732-L737 HydrophobicContact CE1-CG 3.74Å; N734-L737 WeakPolarHBondContact O-CB 3.4Å; N734-L737 PolarHBondContact O-N 3.48Å; L737-N739 VanDerWaalsContact C-N 3.31Å; L737-N739 PolarHBondContact O-N 3.24Å; L737-C740 VanDerWaalsContact O-CB 3.3Å; L737-C740 WeakPolarHBondContact O-CB 3.4Å; L737-C740 PolarHBondContact O-N 3.47Å; L737-V741 WeakPolarHBondContact O-CG2 3.49Å; L737-I747 HydrophobicContact CB-CD1 4.31Å; L737-L770 HydrophobicContact CD1-CD2 4.23Å; L737-L770 HydrophobicContact CD2-CD2 3.96Å |
| 738 | T | 61.4 | Low | 62.8 | Low | 79 Ų | 79 | 73.9 Ų | 73.9 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -29.6 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | N734 T735 I736 C740 V741 | N734-T738 PolarHBondContact O-N 3.31Å; N734-T738 PolarHBondContact O-OG1 2.81Å; T735-T738 WeakPolarHBondContact CA-OG1 3.34Å; T735-T738 PolarHBondContact O-OG1 3.45Å; T735-T738 VanDerWaalsContact O-OG1 3.06Å; I736-T738 VanDerWaalsContact C-N 3.35Å; I736-T738 PolarHBondContact O-N 2.89Å; T738-C740 VanDerWaalsContact C-N 3.3Å; T738-C740 PolarHBondContact O-N 3.27Å; T738-V741 PolarHBondContact O-N 2.91Å |
| 739 | N | 60.7 | Low | 62.4 | Low | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75.5 | -15.8 | 174.9 | -75 | -57.3 | 0 | 0 | 0 | 113.8 | K704 T735 I736 L737 V741 | K704-N739 HydrophobicContact CD-CB 4.07Å; K704-N739 PolarHBondContact NZ-ND2 3.25Å; K704-N739 PolarHBondContact NZ-OD1 3.19Å; T735-N739 VanDerWaalsContact O-CG 3.31Å; T735-N739 PolarHBondContact O-N 3.02Å; T735-N739 PolarHBondContact O-ND2 3.31Å; I736-N739 PolarHBondContact O-N 3.15Å; L737-N739 VanDerWaalsContact C-N 3.31Å; L737-N739 PolarHBondContact O-N 3.24Å; N739-V741 PolarHBondContact O-N 2.03Å |
| 740 | C | 61 | Low | 62.4 | Low | 17 Ų | 17 | 71.5 Ų | 71.5 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.7 | 172 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | C702 I736 L737 T738 W752 | C702-C740 HydrophobicContact CB-CB 3.88Å; C702-C740 WeakPolarHBondContact CB-SG 3.32Å; C702-C740 WeakPolarHBondContact SG-CB 3.21Å; C702-C740 CovalentContact SG-SG 2Å; C702-C740 PolarHBondContact SG-SG 2.99Å; I736-C740 PolarHBondContact O-N 3.15Å; I736-C740 PolarHBondContact O-SG 2.92Å; I736-C740 VanDerWaalsContact O-SG 3.41Å; L737-C740 VanDerWaalsContact O-CB 3.3Å; L737-C740 WeakPolarHBondContact O-CB 3.4Å; L737-C740 PolarHBondContact O-N 3.47Å; T738-C740 VanDerWaalsContact C-N 3.3Å; T738-C740 PolarHBondContact O-N 3.27Å; C740-W752 HydrophobicContact CB-CH2 3.99Å; C740-W752 HydrophobicContact CB-CZ3 4.03Å |
| 741 | V | 57.2 | Low | 62.7 | Low | 20 Ų | 20 | 74.1 Ų | 74.1 | 12% | 0.121 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -118.1 | 133.9 | -176.2 | -130.7 | 0 | 0 | 0 | 0 | 107.5 | L737 T738 N739 V745 I747 | L737-V741 WeakPolarHBondContact O-CG2 3.49Å; T738-V741 PolarHBondContact O-N 2.91Å; N739-V741 PolarHBondContact O-N 2.03Å; V741-V745 WeakPolarHBondContact CB-O 3.41Å; V741-V745 VanDerWaalsContact CG1-C 3.49Å; V741-V745 HydrophobicContact CG1-CB 3.76Å; V741-V745 HydrophobicContact CG1-CG1 3.61Å; V741-V745 WeakPolarHBondContact CG1-O 3.4Å; V741-I747 HydrophobicContact CG2-CB 4.44Å; V741-I747 HydrophobicContact CG2-CG1 3.61Å |
| 742 | Q | 54.2 | Low | 63.4 | Low | 154 Ų | 154 | 68.9 Ų | 68.9 | 72% | 0.72 | 36% | 0.359 | S | S | * | . | trans | -56.1 | 155.4 | 175.4 | -73.4 | 177.2 | -21.9 | 0 | 0 | 109.5 | D744 V745 | Q742-D744 PolarHBondContact O-N 2.02Å; Q742-V745 HydrophobicContact CB-CB 4.37Å; Q742-V745 HydrophobicContact CB-CG2 4.08Å; Q742-V745 PolarHBondContact O-N 3.24Å | ||
| 743 | K | 53.2 | Low | 64.1 | Low | 210 Ų | 210 | 69.8 Ų | 69.8 | 91% | 0.913 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -26 | -175.4 | -94.9 | -177.1 | 173.3 | -179 | 0 | 114.5 | ||
| 744 | D | 49.7 | Very low | 65.2 | Low | 158 Ų | 158 | 62.5 Ų | 62.5 | 85% | 0.845 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 5.4 | -176.5 | -53.2 | -51 | 0 | 0 | 0 | 114.5 | Q742 | Q742-D744 PolarHBondContact O-N 2.02Š|
| 745 | V | 47.7 | Very low | 66.6 | Low | 68 Ų | 68 | 60.6 Ų | 60.6 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -107.2 | 124.5 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V741 Q742 | V741-V745 WeakPolarHBondContact CB-O 3.41Å; V741-V745 VanDerWaalsContact CG1-C 3.49Å; V741-V745 HydrophobicContact CG1-CB 3.76Å; V741-V745 HydrophobicContact CG1-CG1 3.61Å; V741-V745 WeakPolarHBondContact CG1-O 3.4Å; Q742-V745 HydrophobicContact CB-CB 4.37Å; Q742-V745 HydrophobicContact CB-CG2 4.08Å; Q742-V745 PolarHBondContact O-N 3.24Å | ||
| 746 | N | 58.9 | Low | 68 | Low | 123 Ų | 123 | 56.6 Ų | 56.6 | 66% | 0.658 | 30% | 0.298 | S | S | * | . | trans | -77.1 | 149.3 | 174.4 | -79 | -36.9 | 0 | 0 | 0 | 110.7 | V748 K775 | N746-V748 PolarHBondContact O-N 3.44Å; N746-K775 PolarHBondContact O-NZ 3.27Å | ||
| 747 | I | 63.9 | Low | 69.5 | Low | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | trans | -43.6 | 131.4 | -179.9 | -67 | 169 | 0 | 0 | 0 | 111.5 | L667 L737 V741 P749 W752 L770 K775 | L667-I747 HydrophobicContact CD1-CB 4.09Å; L667-I747 HydrophobicContact CD1-CD1 3.47Å; L667-I747 VanDerWaalsContact CD1-CD1 3.47Å; L667-I747 HydrophobicContact CD1-CG1 4.33Å; L667-I747 HydrophobicContact CD1-CG2 4.05Å; L667-I747 HydrophobicContact CD2-CD1 3.57Å; L667-I747 HydrophobicContact CD2-CG2 4.41Å; L667-I747 HydrophobicContact CG-CD1 4.17Å; L737-I747 HydrophobicContact CB-CD1 4.31Å; V741-I747 HydrophobicContact CG2-CB 4.44Å; V741-I747 HydrophobicContact CG2-CG1 3.61Å; I747-P749 WeakPolarHBondContact O-CD 3.37Å; I747-W752 HydrophobicContact CG2-CZ2 3.98Å; I747-L770 HydrophobicContact CG2-CD2 4.38Å; I747-K775 PolarHBondContact O-NZ 2.97Å | ||
| 748 | V | 68.7 | Low | 70.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | trans | -84.1 | 114 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | P697 L698 N746 W752 | P697-V748 HydrophobicContact CB-CG1 4Å; P697-V748 HydrophobicContact CG-CB 4.33Å; P697-V748 HydrophobicContact CG-CG1 4.03Å; L698-V748 HydrophobicContact CD1-CG2 4.11Å; L698-V748 HydrophobicContact CG-CG1 4.35Å; L698-V748 HydrophobicContact CG-CG2 4.45Å; N746-V748 PolarHBondContact O-N 3.44Å; V748-W752 PolarHBondContact O-NE1 3.06Å | ||
| 749 | P | 70.5 | Confident | 72 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | trans | -68.6 | 141.6 | 174.5 | 29.2 | -33.2 | 0 | 0 | 0 | 110 | I747 L770 F771 | I747-P749 WeakPolarHBondContact O-CD 3.37Å; P749-L770 WeakPolarHBondContact CA-O 3.36Å; P749-F771 HydrophobicContact CB-CD1 4.27Å | ||
| 750 | G | 74.6 | Confident | 73.2 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -163.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W752 V769 L770 | G750-W752 VanDerWaalsContact O-CD1 3.31Å; G750-W752 PolarHBondContact O-N 2.81Å; G750-V769 WeakPolarHBondContact O-CA 3.45Å; G750-V769 WeakPolarHBondContact O-CG1 3.36Å; G750-L770 PolarHBondContact N-O 3.5Å; G750-L770 PolarHBondContact O-N 3.02Å |
| 751 | E | 83.1 | Confident | 74.5 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.4 | 177.4 | -173.5 | -178.2 | 94.6 | 0 | 0 | 110.4 | P697 K767 F768 | P697-E751 WeakPolarHBondContact CA-O 3.23Å; E751-K767 HydrophobicContact CG-CB 4.34Å; E751-K767 HydrophobicContact CG-CD 4.49Å; E751-K767 HydrophobicContact CG-CG 4.48Å; E751-K767 WeakPolarHBondContact OE1-CD 3.19Å; E751-K767 VanDerWaalsContact OE1-CE 3.28Å; E751-K767 WeakPolarHBondContact OE1-CE 3.34Å; E751-K767 IonicContact OE1-NZ 2.66Å; E751-K767 PolarHBondContact OE1-NZ 3.32Å; E751-K767 IonicContact OE2-NZ 3.09Å; E751-F768 CarbonylContact C-O 3.57Å |
| 752 | W | 85.1 | Confident | 76 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 146.4 | 171.9 | -72.5 | 71.4 | 0 | 0 | 0 | 109.8 | L694 N696 P697 C740 I747 V748 G750 K767 F768 L770 | L694-W752 HydrophobicContact CD1-CE3 4.04Å; L694-W752 HydrophobicContact CD2-CD2 4.48Å; L694-W752 HydrophobicContact CD2-CE3 3.4Å; L694-W752 HydrophobicContact CD2-CZ3 3.43Å; L694-W752 VanDerWaalsContact CD2-CZ3 3.43Å; L694-W752 HydrophobicContact CG-CE3 3.54Å; L694-W752 HydrophobicContact CG-CZ3 3.85Å; N696-W752 HydrophobicContact CB-CD2 4.43Å; N696-W752 HydrophobicContact CB-CE3 3.98Å; N696-W752 HydrophobicContact CB-CH2 3.48Å; N696-W752 VanDerWaalsContact CB-CH2 3.48Å; N696-W752 HydrophobicContact CB-CZ2 3.92Å; N696-W752 HydrophobicContact CB-CZ3 3.5Å; N696-W752 VanDerWaalsContact CB-CZ3 3.5Å; P697-W752 VanDerWaalsContact CD-CE2 3.45Å; P697-W752 HydrophobicContact CG-CG 4.35Å; C740-W752 HydrophobicContact CB-CH2 3.99Å; C740-W752 HydrophobicContact CB-CZ3 4.03Å; I747-W752 HydrophobicContact CG2-CZ2 3.98Å; V748-W752 PolarHBondContact O-NE1 3.06Å; G750-W752 VanDerWaalsContact O-CD1 3.31Å; G750-W752 PolarHBondContact O-N 2.81Å; W752-K767 WeakPolarHBondContact O-CA 3.29Å; W752-F768 HydrophobicContact CB-CD1 4.15Å; W752-F768 HydrophobicContact CB-CD2 4.27Å; W752-F768 HydrophobicContact CB-CE1 3.65Å; W752-F768 HydrophobicContact CB-CE2 3.8Å; W752-F768 HydrophobicContact CB-CG 4.44Å; W752-F768 HydrophobicContact CB-CZ 3.47Å; W752-F768 VanDerWaalsContact CB-CZ 3.47Å; W752-F768 HydrophobicContact CG-CE2 4.26Å; W752-F768 HydrophobicContact CG-CZ 4.16Å; W752-F768 PolarHBondContact N-O 2.82Å; W752-F768 PolarHBondContact O-N 3.09Å; W752-F768 VanDerWaalsContact O-O 3.11Å; W752-L770 VanDerWaalsContact CD1-CB 3.49Å; W752-L770 HydrophobicContact CG-CB 4.27Å |
| 753 | T | 87 | Confident | 77.5 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.5 | 174.4 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | I695 I755 A766 K767 | I695-T753 PolarHBondContact N-O 3.12Å; I695-T753 PolarHBondContact O-N 2.93Å; T753-I755 HydrophobicContact CG2-CG1 4.34Å; T753-A766 WeakPolarHBondContact CA-O 3.35Å; T753-K767 HydrophobicContact CG2-CG 4.43Å |
| 754 | I | 87.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.8 | 167.8 | -164.4 | 173.5 | 0 | 0 | 0 | 109.1 | L645 I647 I673 F692 L694 F732 R765 A766 | L645-I754 HydrophobicContact CD2-CG2 4.08Å; I647-I754 HydrophobicContact CD1-CD1 3.75Å; I647-I754 HydrophobicContact CD1-CG2 4.01Å; I647-I754 HydrophobicContact CG1-CG2 3.86Å; I673-I754 HydrophobicContact CD1-CD1 4.02Å; I673-I754 HydrophobicContact CG1-CD1 4.35Å; F692-I754 HydrophobicContact CB-CD1 3.96Å; F692-I754 HydrophobicContact CB-CG1 4.16Å; F692-I754 HydrophobicContact CD1-CD1 3.52Å; F692-I754 HydrophobicContact CD1-CG1 3.87Å; F692-I754 HydrophobicContact CE1-CD1 4.32Å; F692-I754 HydrophobicContact CG-CD1 4Å; F692-I754 HydrophobicContact CG-CG1 4.46Å; L694-I754 HydrophobicContact CD1-CB 4.09Å; L694-I754 HydrophobicContact CD1-CG1 4.4Å; F732-I754 HydrophobicContact CE2-CD1 4.3Å; I754-R765 WeakPolarHBondContact O-CA 3.48Å; I754-A766 HydrophobicContact CG2-CB 3.72Å; I754-A766 PolarHBondContact N-O 2.96Å; I754-A766 PolarHBondContact O-N 3.32Å |
| 755 | I | 89.2 | Confident | 80.8 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.8 | 172.8 | -57.2 | -169 | 0 | 0 | 0 | 107.6 | F692 T693 I695 T753 V757 I763 R765 | F692-I755 CarbonylContact C-O 3.6Å; F692-I755 VanDerWaalsContact CA-O 3.27Å; F692-I755 WeakPolarHBondContact CA-O 3.48Å; T693-I755 PolarHBondContact N-O 3.02Å; T693-I755 PolarHBondContact O-N 3.37Å; I695-I755 HydrophobicContact CD1-CD1 3.41Å; I695-I755 VanDerWaalsContact CD1-CD1 3.41Å; I695-I755 HydrophobicContact CD1-CG1 3.88Å; I695-I755 HydrophobicContact CG1-CD1 4.48Å; T753-I755 HydrophobicContact CG2-CG1 4.34Å; I755-V757 HydrophobicContact CG2-CG2 4.27Å; I755-I763 HydrophobicContact CG2-CG2 3.61Å; I755-R765 HydrophobicContact CG1-CG 4.26Å |
| 756 | A | 89.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I642 L645 V690 V691 F692 I763 S764 | I642-A756 HydrophobicContact CD1-CB 3.46Å; I642-A756 VanDerWaalsContact CD1-CB 3.46Å; L645-A756 HydrophobicContact CD2-CB 3.72Å; V690-A756 HydrophobicContact CG1-CB 3.77Å; V691-A756 CarbonylContact O-C 3.55Å; V691-A756 WeakPolarHBondContact O-CA 3.36Å; F692-A756 HydrophobicContact CD1-CB 3.54Å; F692-A756 HydrophobicContact CE1-CB 3.33Å; F692-A756 HydrophobicContact CZ-CB 4.24Å; A756-I763 WeakPolarHBondContact O-CA 3.25Å; A756-S764 PolarHBondContact N-O 3.3Å; A756-S764 PolarHBondContact O-N 2.79Å |
| 757 | V | 91.6 | Very high | 83.5 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.1 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | V691 I755 Q762 I763 | V691-V757 PolarHBondContact N-O 2.86Å; V691-V757 PolarHBondContact O-N 3.42Å; I755-V757 HydrophobicContact CG2-CG2 4.27Å; V757-Q762 WeakPolarHBondContact CA-O 3.4Å; V757-I763 HydrophobicContact CG2-CG1 4.47Å |
| 758 | A | 91 | Very high | 84.2 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | trans | -75.1 | 162.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V690 S760 G761 Q762 | V690-A758 HydrophobicContact CG2-CB 4.47Å; A758-S760 PolarHBondContact O-N 3.35Å; A758-S760 VanDerWaalsContact O-N 3.16Å; A758-G761 PolarHBondContact O-N 3.5Å; A758-Q762 HydrophobicContact CB-CB 4.11Å; A758-Q762 PolarHBondContact N-O 2.81Å | ||
| 759 | S | 87.6 | Confident | 84.5 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.8 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | T688 G761 | T688-S759 VanDerWaalsContact OG1-CB 3.29Å; T688-S759 WeakPolarHBondContact OG1-CB 3.48Å; T688-S759 PolarHBondContact OG1-OG 3.2Å; S759-G761 PolarHBondContact O-N 3.21Å |
| 760 | S | 87 | Confident | 84.8 | Confident | 55 Ų | 55 | 37.3 Ų | 37.3 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13.5 | 173.7 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | D641 A758 Q762 | D641-S760 WeakPolarHBondContact OD1-CB 3.45Å; D641-S760 PolarHBondContact OD1-OG 3.42Å; A758-S760 PolarHBondContact O-N 3.35Å; A758-S760 VanDerWaalsContact O-N 3.16Å; S760-Q762 WeakPolarHBondContact OG-CB 3.48Å; S760-Q762 PolarHBondContact OG-N 2.9Å; S760-Q762 VanDerWaalsContact OG-N 3.13Å |
| 761 | G | 87.3 | Confident | 84.6 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 49% | 0.485 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 89.9 | -1.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A758 S759 I763 | A758-G761 PolarHBondContact O-N 3.5Å; S759-G761 PolarHBondContact O-N 3.21Å; G761-I763 PolarHBondContact O-N 3.27Å |
| 762 | Q | 89.1 | Confident | 83.8 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -60.5 | 129.4 | 174.9 | -168.5 | -155.6 | 48.1 | 0 | 0 | 110.6 | I642 V757 A758 S760 | I642-Q762 PolarHBondContact O-NE2 2.88Å; I642-Q762 VanDerWaalsContact O-NE2 3.13Å; I642-Q762 PolarHBondContact O-OE1 3.29Å; V757-Q762 WeakPolarHBondContact CA-O 3.4Å; A758-Q762 HydrophobicContact CB-CB 4.11Å; A758-Q762 PolarHBondContact N-O 2.81Å; S760-Q762 WeakPolarHBondContact OG-CB 3.48Å; S760-Q762 PolarHBondContact OG-N 2.9Å; S760-Q762 VanDerWaalsContact OG-N 3.13Å | ||
| 763 | I | 86.1 | Confident | 82.5 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.2 | 179.2 | -55.6 | 179.3 | 0 | 0 | 0 | 109.6 | I755 A756 V757 G761 R765 | I755-I763 HydrophobicContact CG2-CG2 3.61Å; A756-I763 WeakPolarHBondContact O-CA 3.25Å; V757-I763 HydrophobicContact CG2-CG1 4.47Å; G761-I763 PolarHBondContact O-N 3.27Å; I763-R765 HydrophobicContact CG2-CG 4.48Å |
| 764 | S | 85.7 | Confident | 81 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.2 | 173.4 | -61.9 | 0 | 0 | 0 | 0 | 110 | T629 A756 | T629-S764 WeakPolarHBondContact CG2-OG 3.43Å; A756-S764 PolarHBondContact N-O 3.3Å; A756-S764 PolarHBondContact O-N 2.79Å |
| 765 | R | 84.8 | Confident | 79.6 | Confident | 154 Ų | 154 | 43.1 Ų | 43.1 | 58% | 0.581 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.1 | -178.8 | -60.8 | -173.1 | 178.8 | 90.7 | -1.3 | 110 | S627 I754 I755 I763 | S627-R765 WeakPolarHBondContact CB-O 3.27Å; S627-R765 PolarHBondContact OG-O 2.97Å; I754-R765 WeakPolarHBondContact O-CA 3.48Å; I755-R765 HydrophobicContact CG1-CG 4.26Å; I763-R765 HydrophobicContact CG2-CG 4.48Å |
| 766 | A | 82.2 | Confident | 77.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | S627 L645 T753 I754 | S627-A766 VanDerWaalsContact OG-CA 3.23Å; S627-A766 WeakPolarHBondContact OG-CA 3.42Å; S627-A766 VanDerWaalsContact OG-CB 3.22Å; S627-A766 WeakPolarHBondContact OG-CB 3.28Å; L645-A766 HydrophobicContact CB-CB 4.38Å; L645-A766 HydrophobicContact CD2-CB 3.82Å; L645-A766 HydrophobicContact CG-CB 3.79Å; T753-A766 WeakPolarHBondContact CA-O 3.35Å; I754-A766 HydrophobicContact CG2-CB 3.72Å; I754-A766 PolarHBondContact N-O 2.96Å; I754-A766 PolarHBondContact O-N 3.32Å |
| 767 | K | 82.1 | Confident | 75.8 | Confident | 86 Ų | 86 | 45 Ų | 45 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.4 | 178.7 | -74.9 | 175.3 | 169 | -146.2 | 0 | 109.1 | P624 E751 W752 T753 | P624-K767 HydrophobicContact CB-CB 3.64Å; P624-K767 HydrophobicContact CG-CB 4.4Å; P624-K767 WeakPolarHBondContact CG-O 3.29Å; E751-K767 HydrophobicContact CG-CB 4.34Å; E751-K767 HydrophobicContact CG-CD 4.49Å; E751-K767 HydrophobicContact CG-CG 4.48Å; E751-K767 WeakPolarHBondContact OE1-CD 3.19Å; E751-K767 VanDerWaalsContact OE1-CE 3.28Å; E751-K767 WeakPolarHBondContact OE1-CE 3.34Å; E751-K767 IonicContact OE1-NZ 2.66Å; E751-K767 PolarHBondContact OE1-NZ 3.32Å; E751-K767 IonicContact OE2-NZ 3.09Å; W752-K767 WeakPolarHBondContact O-CA 3.29Å; T753-K767 HydrophobicContact CG2-CG 4.43Å |
| 768 | F | 79.5 | Confident | 73.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 157.3 | 175.6 | 65.8 | -80.1 | 0 | 0 | 0 | 108.7 | I647 R663 L665 L671 L694 E751 W752 L770 | I647-F768 HydrophobicContact CB-CB 4.29Å; I647-F768 HydrophobicContact CB-CD1 3.97Å; I647-F768 HydrophobicContact CB-CE1 4.47Å; I647-F768 HydrophobicContact CB-CG 4.08Å; I647-F768 HydrophobicContact CG1-CD1 3.75Å; I647-F768 HydrophobicContact CG1-CE1 4.01Å; I647-F768 HydrophobicContact CG1-CG 4.38Å; I647-F768 HydrophobicContact CG2-CD1 4.19Å; I647-F768 HydrophobicContact CG2-CD2 4.22Å; I647-F768 HydrophobicContact CG2-CE1 4.37Å; I647-F768 HydrophobicContact CG2-CE2 4.38Å; I647-F768 HydrophobicContact CG2-CG 4.1Å; I647-F768 HydrophobicContact CG2-CZ 4.45Å; R663-F768 HydrophobicContact CB-CB 3.91Å; L665-F768 HydrophobicContact CD1-CB 4.24Å; L665-F768 HydrophobicContact CD1-CD2 3.9Å; L665-F768 HydrophobicContact CD1-CG 4.35Å; L671-F768 HydrophobicContact CD1-CE2 4.44Å; L694-F768 HydrophobicContact CD1-CE1 3.74Å; L694-F768 HydrophobicContact CD1-CZ 3.79Å; E751-F768 CarbonylContact C-O 3.57Å; W752-F768 HydrophobicContact CB-CD1 4.15Å; W752-F768 HydrophobicContact CB-CD2 4.27Å; W752-F768 HydrophobicContact CB-CE1 3.65Å; W752-F768 HydrophobicContact CB-CE2 3.8Å; W752-F768 HydrophobicContact CB-CG 4.44Å; W752-F768 HydrophobicContact CB-CZ 3.47Å; W752-F768 VanDerWaalsContact CB-CZ 3.47Å; W752-F768 HydrophobicContact CG-CE2 4.26Å; W752-F768 HydrophobicContact CG-CZ 4.16Å; W752-F768 PolarHBondContact N-O 2.82Å; W752-F768 PolarHBondContact O-N 3.09Å; W752-F768 VanDerWaalsContact O-O 3.11Å; F768-L770 HydrophobicContact CD2-CB 4.37Å; F768-L770 HydrophobicContact CE2-CB 4.07Å; F768-L770 HydrophobicContact CE2-CD2 4.47Å |
| 769 | V | 74.9 | Confident | 71.6 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.6 | -179.8 | -166.8 | 0 | 0 | 0 | 0 | 108.2 | R663 F664 L665 G750 F771 | R663-V769 PolarHBondContact O-N 2.03Å; R663-V769 VanDerWaalsContact O-O 3.1Å; F664-V769 HydrophobicContact CD1-CB 3.97Å; F664-V769 HydrophobicContact CD1-CG1 4.49Å; F664-V769 HydrophobicContact CD1-CG2 4.22Å; F664-V769 HydrophobicContact CE1-CB 4.36Å; F664-V769 HydrophobicContact CE1-CG2 4.19Å; L665-V769 PolarHBondContact N-O 3.36Å; G750-V769 WeakPolarHBondContact O-CA 3.45Å; G750-V769 WeakPolarHBondContact O-CG1 3.36Å; V769-F771 HydrophobicContact CB-CE2 3.97Å; V769-F771 HydrophobicContact CB-CZ 4.36Å; V769-F771 HydrophobicContact CG1-CD2 4Å; V769-F771 HydrophobicContact CG1-CE1 3.96Å; V769-F771 HydrophobicContact CG1-CE2 3.21Å; V769-F771 HydrophobicContact CG1-CZ 3.19Å |
| 770 | L | 76.3 | Confident | 69.6 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.9 | -178.9 | -170 | 65.5 | 0 | 0 | 0 | 109.4 | L665 L667 L671 L737 I747 P749 G750 W752 F768 | L665-L770 HydrophobicContact CB-CD1 4.2Å; L665-L770 WeakPolarHBondContact O-CA 3.46Å; L667-L770 HydrophobicContact CD2-CD1 4.21Å; L667-L770 HydrophobicContact CD2-CD2 3.76Å; L667-L770 HydrophobicContact CD2-CG 4.15Å; L667-L770 HydrophobicContact CG-CG 4.48Å; L671-L770 HydrophobicContact CD1-CD1 4.02Å; L737-L770 HydrophobicContact CD1-CD2 4.23Å; L737-L770 HydrophobicContact CD2-CD2 3.96Å; I747-L770 HydrophobicContact CG2-CD2 4.38Å; P749-L770 WeakPolarHBondContact CA-O 3.36Å; G750-L770 PolarHBondContact N-O 3.5Å; G750-L770 PolarHBondContact O-N 3.02Å; W752-L770 VanDerWaalsContact CD1-CB 3.49Å; W752-L770 HydrophobicContact CG-CB 4.27Å; F768-L770 HydrophobicContact CD2-CB 4.37Å; F768-L770 HydrophobicContact CE2-CB 4.07Å; F768-L770 HydrophobicContact CE2-CD2 4.47Å |
| 771 | F | 70.5 | Confident | 67.5 | Low | 24 Ų | 24 | 61.1 Ų | 61.1 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.2 | 178.2 | -62.2 | -76.6 | 0 | 0 | 0 | 111.9 | F664 L665 T666 L667 P749 V769 F853 | F664-F771 AromaticContact CD1-CE2 3.93Å; F664-F771 HydrophobicContact CD1-CE2 3.93Å; F664-F771 HydrophobicContact CE1-CE2 4.44Å; L665-F771 PolarHBondContact O-N 3.18Å; T666-F771 WeakPolarHBondContact CA-O 3.29Å; L667-F771 PolarHBondContact N-O 3Å; P749-F771 HydrophobicContact CB-CD1 4.27Å; V769-F771 HydrophobicContact CB-CE2 3.97Å; V769-F771 HydrophobicContact CB-CZ 4.36Å; V769-F771 HydrophobicContact CG1-CD2 4Å; V769-F771 HydrophobicContact CG1-CE1 3.96Å; V769-F771 HydrophobicContact CG1-CE2 3.21Å; V769-F771 HydrophobicContact CG1-CZ 3.19Å; F771-F853 HydrophobicContact CE1-CZ 4.28Å |
| 772 | D | 66 | Low | 65.2 | Low | 32 Ų | 32 | 62.2 Ų | 62.2 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | trans | -104 | 106.7 | 164.8 | -178.1 | -7.8 | 0 | 0 | 0 | 108.1 | L667 L774 K775 L776 | L667-D772 HydrophobicContact CD1-CB 4.02Å; D772-L774 PolarHBondContact O-N 2.94Å; D772-L774 WeakPolarHBondContact OD1-CB 3.44Å; D772-L774 PolarHBondContact OD1-N 2.99Å; D772-K775 HydrophobicContact CB-CB 4.18Å; D772-K775 HydrophobicContact CB-CD 4.43Å; D772-K775 HydrophobicContact CB-CG 4.45Å; D772-K775 PolarHBondContact O-N 2.97Å; D772-L776 PolarHBondContact O-N 3.1Å | ||
| 773 | P | 57.7 | Low | 63 | Low | 29 Ų | 29 | 65 Ų | 65 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.4 | -35 | -178.4 | -23.1 | 31.6 | 0 | 0 | 0 | 112.8 | T666 L776 S777 F793 | T666-P773 HydrophobicContact CG2-CG 4.11Å; P773-L776 PolarHBondContact O-N 3.44Å; P773-S777 PolarHBondContact O-N 3.38Å; P773-S777 VanDerWaalsContact O-N 3.12Å; P773-F793 HydrophobicContact CG-CB 4.49Å |
| 774 | L | 56.3 | Low | 60.7 | Low | 110 Ų | 110 | 68.9 Ų | 68.9 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.7 | -48 | -178.4 | -72 | 161.4 | 0 | 0 | 0 | 110.8 | D772 S777 Q778 | D772-L774 PolarHBondContact O-N 2.94Å; D772-L774 WeakPolarHBondContact OD1-CB 3.44Å; D772-L774 PolarHBondContact OD1-N 2.99Å; L774-S777 PolarHBondContact O-N 3.26Å; L774-S777 PolarHBondContact O-OG 2.8Å; L774-Q778 WeakPolarHBondContact O-CG 3.48Å; L774-Q778 PolarHBondContact O-N 3.29Å |
| 775 | K | 55.9 | Low | 58.5 | Low | 52 Ų | 52 | 76.6 Ų | 76.6 | 23% | 0.226 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 176.4 | -81.1 | -174.4 | 172.2 | -172.9 | 0 | 113.1 | N746 I747 D772 S777 Q778 S779 | N746-K775 PolarHBondContact O-NZ 3.27Å; I747-K775 PolarHBondContact O-NZ 2.97Å; D772-K775 HydrophobicContact CB-CB 4.18Å; D772-K775 HydrophobicContact CB-CD 4.43Å; D772-K775 HydrophobicContact CB-CG 4.45Å; D772-K775 PolarHBondContact O-N 2.97Å; K775-S777 PolarHBondContact O-N 2.73Å; K775-Q778 WeakPolarHBondContact O-CB 3.49Å; K775-Q778 PolarHBondContact O-N 2.92Å; K775-S779 WeakPolarHBondContact O-CB 3.37Å; K775-S779 PolarHBondContact O-N 3.39Å; K775-S779 PolarHBondContact O-OG 3.25Å |
| 776 | L | 51.2 | Low | 56.4 | Low | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 179.3 | -163.7 | 76.9 | 0 | 0 | 0 | 110.2 | D772 P773 Q778 S779 L780 F793 | D772-L776 PolarHBondContact O-N 3.1Å; P773-L776 PolarHBondContact O-N 3.44Å; L776-Q778 VanDerWaalsContact C-N 3.31Å; L776-Q778 PolarHBondContact O-N 3.12Å; L776-S779 PolarHBondContact O-N 3.36Å; L776-S779 PolarHBondContact O-OG 2.85Å; L776-S779 VanDerWaalsContact O-OG 3.05Å; L776-L780 HydrophobicContact CD1-CD1 4.11Å; L776-L780 HydrophobicContact CD2-CD1 4.26Å; L776-L780 HydrophobicContact CG-CD1 3.77Å; L776-L780 HydrophobicContact CG-CG 4.49Å; L776-L780 PolarHBondContact O-N 3.42Å; L776-F793 HydrophobicContact CD2-CD2 4.11Å; L776-F793 HydrophobicContact CD2-CE1 4.36Å; L776-F793 HydrophobicContact CD2-CE2 3.28Å; L776-F793 HydrophobicContact CD2-CZ 3.43Å; L776-F793 VanDerWaalsContact CD2-CZ 3.43Å |
| 777 | S | 48.1 | Very low | 54.2 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 174 | 82 | 0 | 0 | 0 | 0 | 113.3 | P773 L774 K775 | P773-S777 PolarHBondContact O-N 3.38Å; P773-S777 VanDerWaalsContact O-N 3.12Å; L774-S777 PolarHBondContact O-N 3.26Å; L774-S777 PolarHBondContact O-OG 2.8Å; K775-S777 PolarHBondContact O-N 2.73Å |
| 778 | Q | 49.8 | Very low | 52.1 | Low | 148 Ų | 148 | 72.8 Ų | 72.8 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.9 | -41.5 | 178.5 | -68.3 | 173 | -6.7 | 0 | 0 | 112.4 | L774 K775 L776 | L774-Q778 WeakPolarHBondContact O-CG 3.48Å; L774-Q778 PolarHBondContact O-N 3.29Å; K775-Q778 WeakPolarHBondContact O-CB 3.49Å; K775-Q778 PolarHBondContact O-N 2.92Å; L776-Q778 VanDerWaalsContact C-N 3.31Å; L776-Q778 PolarHBondContact O-N 3.12Å |
| 779 | S | 46.5 | Very low | 50.1 | Low | 81 Ų | 81 | 75.8 Ų | 75.8 | 57% | 0.566 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.4 | -36.7 | -173.4 | 65.6 | 0 | 0 | 0 | 0 | 114 | K775 L776 R781 | K775-S779 WeakPolarHBondContact O-CB 3.37Å; K775-S779 PolarHBondContact O-N 3.39Å; K775-S779 PolarHBondContact O-OG 3.25Å; L776-S779 PolarHBondContact O-N 3.36Å; L776-S779 PolarHBondContact O-OG 2.85Å; L776-S779 VanDerWaalsContact O-OG 3.05Å; S779-R781 VanDerWaalsContact C-N 3.26Å; S779-R781 PolarHBondContact O-N 3.11Å |
| 780 | L | 44.1 | Very low | 48.5 | Very low | 58 Ų | 58 | 82.3 Ų | 82.3 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.3 | -170.5 | -73.9 | 171.1 | 0 | 0 | 0 | 113.9 | L776 L782 L787 F852 | L776-L780 HydrophobicContact CD1-CD1 4.11Å; L776-L780 HydrophobicContact CD2-CD1 4.26Å; L776-L780 HydrophobicContact CG-CD1 3.77Å; L776-L780 HydrophobicContact CG-CG 4.49Å; L776-L780 PolarHBondContact O-N 3.42Å; L780-L782 HydrophobicContact CB-CB 4.37Å; L780-L782 HydrophobicContact CB-CD1 3.68Å; L780-L782 HydrophobicContact CB-CG 3.85Å; L780-L782 HydrophobicContact CD1-CD1 3.84Å; L780-L782 HydrophobicContact CG-CD1 4.29Å; L780-L782 PolarHBondContact O-N 2.82Å; L780-L787 HydrophobicContact CD1-CD1 4.28Å; L780-F852 HydrophobicContact CD2-CE1 3.82Å; L780-F852 HydrophobicContact CD2-CZ 4.45Å |
| 781 | R | 42.7 | Very low | 47 | Very low | 239 Ų | 239 | 87.7 Ų | 87.7 | 90% | 0.902 | 44% | 0.44 | S | S | * | . | trans | 42.8 | 24.8 | -172.6 | -65.6 | -172.8 | -179.5 | 177.3 | 2.4 | 113.3 | S779 | S779-R781 VanDerWaalsContact C-N 3.26Å; S779-R781 PolarHBondContact O-N 3.11Å | ||
| 782 | L | 40.6 | Very low | 45.7 | Very low | 69 Ų | 69 | 89.7 Ų | 89.7 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | trans | -72.6 | 146 | -180 | -77.4 | 166.3 | 0 | 0 | 0 | 107.7 | L780 H784 L787 | L780-L782 HydrophobicContact CB-CB 4.37Å; L780-L782 HydrophobicContact CB-CD1 3.68Å; L780-L782 HydrophobicContact CB-CG 3.85Å; L780-L782 HydrophobicContact CD1-CD1 3.84Å; L780-L782 HydrophobicContact CG-CD1 4.29Å; L780-L782 PolarHBondContact O-N 2.82Å; L782-H784 PolarHBondContact O-N 2.85Å; L782-L787 HydrophobicContact CB-CD1 4.26Å; L782-L787 HydrophobicContact CD1-CD1 3.99Å | ||
| 783 | P | 41.2 | Very low | 44.9 | Very low | 89 Ų | 89 | 90.8 Ų | 90.8 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | trans | -49.8 | 129.3 | -179.8 | -22.8 | 30.4 | 0 | 0 | 0 | 109.3 | K785 L786 | P783-K785 PolarHBondContact O-N 3.46Å; P783-L786 PolarHBondContact O-N 2.79Å | ||
| 784 | H | 38.5 | Very low | 44.4 | Very low | 170 Ų | 170 | 90.9 Ų | 90.9 | 79% | 0.787 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -45.8 | -32.5 | -175.8 | -103.6 | -72.9 | 0 | 0 | 0 | 112.4 | L782 L786 A788 | L782-H784 PolarHBondContact O-N 2.85Å; H784-L786 PolarHBondContact O-N 2.91Å; H784-A788 WeakPolarHBondContact O-CA 3.3Å; H784-A788 WeakPolarHBondContact O-CB 3.39Å; H784-A788 PolarHBondContact O-N 2.93Å |
| 785 | K | 40.5 | Very low | 43.8 | Very low | 168 Ų | 168 | 88 Ų | 88 | 73% | 0.73 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.4 | -30.8 | 177.3 | -73.6 | -175 | 173.7 | -175.7 | 0 | 115.6 | P783 L787 | P783-K785 PolarHBondContact O-N 3.46Å; K785-L787 PolarHBondContact O-N 3.48Å |
| 786 | L | 39.4 | Very low | 43.2 | Very low | 62 Ų | 62 | 92.3 Ų | 92.3 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.1 | -25 | -176.6 | -145.1 | 96.6 | 0 | 0 | 0 | 113.1 | F603 P783 H784 | F603-L786 HydrophobicContact CE2-CD1 4.25Å; P783-L786 PolarHBondContact O-N 2.79Å; H784-L786 PolarHBondContact O-N 2.91Å |
| 787 | L | 35.5 | Very low | 42.8 | Very low | 35 Ų | 35 | 91.9 Ų | 91.9 | 18% | 0.183 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -122 | -14.9 | 179.5 | -71.8 | 175.1 | 0 | 0 | 0 | 114.5 | L780 L782 K785 D789 F793 | L780-L787 HydrophobicContact CD1-CD1 4.28Å; L782-L787 HydrophobicContact CB-CD1 4.26Å; L782-L787 HydrophobicContact CD1-CD1 3.99Å; K785-L787 PolarHBondContact O-N 3.48Å; L787-D789 CarbonylContact C-O 3.44Å; L787-D789 VanDerWaalsContact C-O 3.28Å; L787-D789 CarbonylContact O-C 3.6Å; L787-D789 VanDerWaalsContact O-C 3.24Å; L787-D789 PolarHBondContact O-N 3.34Å; L787-F793 HydrophobicContact CD2-CE2 4.45Å |
| 788 | A | 38.9 | Very low | 42.5 | Very low | 67 Ų | 67 | 90.9 Ų | 90.9 | 55% | 0.554 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.8 | -26.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H784 K790 | H784-A788 WeakPolarHBondContact O-CA 3.3Å; H784-A788 WeakPolarHBondContact O-CB 3.39Å; H784-A788 PolarHBondContact O-N 2.93Å; A788-K790 PolarHBondContact O-N 2.8Å |
| 789 | D | 36.8 | Very low | 42 | Very low | 65 Ų | 65 | 87.9 Ų | 87.9 | 35% | 0.348 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -63.6 | 97.7 | 148.1 | -92.9 | -8.9 | 0 | 0 | 0 | 106.6 | L787 K791 | L787-D789 CarbonylContact C-O 3.44Å; L787-D789 VanDerWaalsContact C-O 3.28Å; L787-D789 CarbonylContact O-C 3.6Å; L787-D789 VanDerWaalsContact O-C 3.24Å; L787-D789 PolarHBondContact O-N 3.34Å; D789-K791 HydrophobicContact CB-CB 4.31Å; D789-K791 HydrophobicContact CB-CD 3.78Å; D789-K791 HydrophobicContact CB-CG 3.77Å; D789-K791 VanDerWaalsContact CG-NZ 3.3Å; D789-K791 PolarHBondContact O-N 2.93Å; D789-K791 WeakPolarHBondContact OD1-CE 3.33Å; D789-K791 IonicContact OD1-NZ 2.64Å; D789-K791 PolarHBondContact OD1-NZ 2.78Å; D789-K791 WeakPolarHBondContact OD2-CD 3.41Å; D789-K791 VanDerWaalsContact OD2-CE 3.22Å; D789-K791 WeakPolarHBondContact OD2-CE 3.49Å; D789-K791 IonicContact OD2-NZ 3.77Å; D789-K791 PolarHBondContact OD2-NZ 2.92Å |
| 790 | K | 41.9 | Very low | 41.7 | Very low | 159 Ų | 159 | 88.5 Ų | 88.5 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -53.3 | 10.1 | 174.5 | -67 | 174.8 | 174.9 | 177.2 | 0 | 113.8 | A788 L792 F793 D794 | A788-K790 PolarHBondContact O-N 2.8Å; K790-L792 PolarHBondContact O-N 2.96Å; K790-F793 PolarHBondContact O-N 2.9Å; K790-D794 HydrophobicContact CB-CB 4.08Å; K790-D794 WeakPolarHBondContact O-CB 2.94Å; K790-D794 PolarHBondContact O-N 3.06Å |
| 791 | K | 44.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 87.2 Ų | 87.2 | 50% | 0.496 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -76.4 | -19.4 | -154.3 | -64.7 | -179 | 179.5 | 159.8 | 0 | 116.7 | D789 S797 | D789-K791 HydrophobicContact CB-CB 4.31Å; D789-K791 HydrophobicContact CB-CD 3.78Å; D789-K791 HydrophobicContact CB-CG 3.77Å; D789-K791 VanDerWaalsContact CG-NZ 3.3Å; D789-K791 PolarHBondContact O-N 2.93Å; D789-K791 WeakPolarHBondContact OD1-CE 3.33Å; D789-K791 IonicContact OD1-NZ 2.64Å; D789-K791 PolarHBondContact OD1-NZ 2.78Å; D789-K791 WeakPolarHBondContact OD2-CD 3.41Å; D789-K791 VanDerWaalsContact OD2-CE 3.22Å; D789-K791 WeakPolarHBondContact OD2-CE 3.49Å; D789-K791 IonicContact OD2-NZ 3.77Å; D789-K791 PolarHBondContact OD2-NZ 2.92Å; K791-S797 WeakPolarHBondContact CA-OG 3.4Å; K791-S797 WeakPolarHBondContact CB-OG 2.92Å; K791-S797 VanDerWaalsContact CG-OG 3.31Å; K791-S797 WeakPolarHBondContact CG-OG 3.21Å; K791-S797 WeakPolarHBondContact O-CB 3.46Å |
| 792 | L | 44.8 | Very low | 41.1 | Very low | 66 Ų | 66 | 82 Ų | 82 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -85.9 | -23.7 | 179.6 | -141.7 | 87.6 | 0 | 0 | 0 | 113 | V598 K790 W798 | V598-L792 HydrophobicContact CG1-CD1 4.19Å; V598-L792 HydrophobicContact CG2-CD1 4.49Å; K790-L792 PolarHBondContact O-N 2.96Å; L792-W798 PolarHBondContact O-NE1 3.11Å |
| 793 | F | 47.3 | Very low | 40.8 | Very low | 54 Ų | 54 | 83.8 Ų | 83.8 | 24% | 0.237 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -5.6 | -171 | -55.9 | -71.5 | 0 | 0 | 0 | 113.9 | T666 P773 L776 L787 K790 | T666-F793 HydrophobicContact CG2-CB 4.5Å; P773-F793 HydrophobicContact CG-CB 4.49Å; L776-F793 HydrophobicContact CD2-CD2 4.11Å; L776-F793 HydrophobicContact CD2-CE1 4.36Å; L776-F793 HydrophobicContact CD2-CE2 3.28Å; L776-F793 HydrophobicContact CD2-CZ 3.43Å; L776-F793 VanDerWaalsContact CD2-CZ 3.43Å; L787-F793 HydrophobicContact CD2-CE2 4.45Å; K790-F793 PolarHBondContact O-N 2.9Å |
| 794 | D | 47.7 | Very low | 40.5 | Very low | 32 Ų | 32 | 84.8 Ų | 84.8 | 17% | 0.171 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -85.5 | 133.7 | 170.2 | 179.6 | -8.1 | 0 | 0 | 0 | 110.7 | K790 E796 S797 | K790-D794 HydrophobicContact CB-CB 4.08Å; K790-D794 WeakPolarHBondContact O-CB 2.94Å; K790-D794 PolarHBondContact O-N 3.06Å; D794-E796 PolarHBondContact O-N 2.55Å; D794-E796 VanDerWaalsContact O-N 3.16Å; D794-E796 WeakPolarHBondContact OD1-CB 3.46Å; D794-E796 PolarHBondContact OD1-N 3.25Å; D794-S797 PolarHBondContact O-N 3.1Å |
| 795 | S | 44.5 | Very low | 40.3 | Very low | 49 Ų | 49 | 79.3 Ų | 79.3 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -44.8 | -37.6 | 168 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | S797 N799 | S795-S797 PolarHBondContact O-N 2.9Å; S795-S797 VanDerWaalsContact O-N 3.12Å; S795-N799 PolarHBondContact O-ND2 3.14Å |
| 796 | E | 42.5 | Very low | 40 | Very low | 142 Ų | 142 | 73.7 Ų | 73.7 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.6 | -24.8 | -178.3 | -73.3 | -168.1 | 171.7 | 0 | 0 | 112.7 | D794 N799 | D794-E796 PolarHBondContact O-N 2.55Å; D794-E796 VanDerWaalsContact O-N 3.16Å; D794-E796 WeakPolarHBondContact OD1-CB 3.46Å; D794-E796 PolarHBondContact OD1-N 3.25Å; E796-N799 VanDerWaalsContact O-CB 3.3Å; E796-N799 WeakPolarHBondContact O-CB 3.28Å |
| 797 | S | 43.1 | Very low | 39.6 | Very low | 17 Ų | 17 | 74.6 Ų | 74.6 | 12% | 0.119 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -103.8 | -24.3 | -168.9 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | K791 D794 S795 N799 S800 | K791-S797 WeakPolarHBondContact CA-OG 3.4Å; K791-S797 WeakPolarHBondContact CB-OG 2.92Å; K791-S797 VanDerWaalsContact CG-OG 3.31Å; K791-S797 WeakPolarHBondContact CG-OG 3.21Å; K791-S797 WeakPolarHBondContact O-CB 3.46Å; D794-S797 PolarHBondContact O-N 3.1Å; S795-S797 PolarHBondContact O-N 2.9Å; S795-S797 VanDerWaalsContact O-N 3.12Å; S797-N799 PolarHBondContact O-N 3.31Å; S797-S800 WeakPolarHBondContact O-CB 3.35Å; S797-S800 PolarHBondContact O-N 3.48Å; S797-S800 PolarHBondContact O-OG 3.1Å |
| 798 | W | 42.3 | Very low | 39.3 | Very low | 25 Ų | 25 | 76 Ų | 76 | 10% | 0.095 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.9 | -18.4 | 159.7 | -70.9 | 94 | 0 | 0 | 0 | 112.3 | I596 F658 R659 L792 S800 V801 | I596-W798 HydrophobicContact CD1-CH2 4.1Å; I596-W798 HydrophobicContact CG2-CH2 4.28Å; I596-W798 HydrophobicContact CG2-CZ3 4.35Å; F658-W798 HydrophobicContact CB-CD2 4.04Å; F658-W798 HydrophobicContact CB-CE3 3.39Å; F658-W798 HydrophobicContact CB-CH2 4.38Å; F658-W798 HydrophobicContact CB-CZ3 3.59Å; F658-W798 HydrophobicContact CD1-CE3 4.12Å; F658-W798 AromaticContact CD1-CZ3 3.96Å; F658-W798 HydrophobicContact CD1-CZ3 3.96Å; F658-W798 HydrophobicContact CD2-CE3 4.05Å; F658-W798 AromaticContact CG-CE3 3.59Å; F658-W798 HydrophobicContact CG-CE3 3.59Å; F658-W798 AromaticContact CG-CZ3 3.84Å; F658-W798 HydrophobicContact CG-CZ3 3.84Å; R659-W798 HydrophobicContact CG-CD2 4.43Å; L792-W798 PolarHBondContact O-NE1 3.11Å; W798-S800 PolarHBondContact O-N 3.12Å; W798-V801 HydrophobicContact CE3-CB 4.28Å; W798-V801 HydrophobicContact CE3-CG1 4.49Å; W798-V801 HydrophobicContact CE3-CG2 3.81Å; W798-V801 HydrophobicContact CZ3-CG2 4.25Å; W798-V801 PolarHBondContact O-N 3.11Å |
| 799 | N | 40.1 | Very low | 38.9 | Very low | 84 Ų | 84 | 77.4 Ų | 77.4 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.8 | 169.6 | -68.6 | -39 | 0 | 0 | 0 | 113.4 | K654 S795 E796 S797 | K654-N799 PolarHBondContact NZ-O 3.38Å; S795-N799 PolarHBondContact O-ND2 3.14Å; E796-N799 VanDerWaalsContact O-CB 3.3Å; E796-N799 WeakPolarHBondContact O-CB 3.28Å; S797-N799 PolarHBondContact O-N 3.31Å |
| 800 | S | 39.6 | Very low | 38.6 | Very low | 94 Ų | 94 | 79.7 Ų | 79.7 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -17.7 | 179.2 | 72.5 | 0 | 0 | 0 | 0 | 114.9 | S797 W798 | S797-S800 WeakPolarHBondContact O-CB 3.35Å; S797-S800 PolarHBondContact O-N 3.48Å; S797-S800 PolarHBondContact O-OG 3.1Å; W798-S800 PolarHBondContact O-N 3.12Å |
| 801 | V | 36.6 | Very low | 38.1 | Very low | 31 Ų | 31 | 78.9 Ų | 78.9 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | trans | -74.8 | 128.3 | -177.4 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | F658 W798 F806 | F658-V801 HydrophobicContact CD1-CG1 4.47Å; F658-V801 HydrophobicContact CE1-CG1 3.96Å; F658-V801 HydrophobicContact CE2-CG1 4.43Å; F658-V801 HydrophobicContact CZ-CG1 3.92Å; W798-V801 HydrophobicContact CE3-CB 4.28Å; W798-V801 HydrophobicContact CE3-CG1 4.49Å; W798-V801 HydrophobicContact CE3-CG2 3.81Å; W798-V801 HydrophobicContact CZ3-CG2 4.25Å; W798-V801 PolarHBondContact O-N 3.11Å; V801-F806 HydrophobicContact CG1-CE2 3.66Å; V801-F806 HydrophobicContact CG1-CZ 3.64Å | ||
| 802 | Q | 36.6 | Very low | 37.2 | Very low | 129 Ų | 129 | 80.3 Ų | 80.3 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | trans | -101.2 | 148.8 | -179.4 | -62.2 | -157.3 | 3.1 | 0 | 0 | 111.3 | T804 D805 F806 | Q802-T804 PolarHBondContact O-N 3Å; Q802-D805 PolarHBondContact N-OD2 3.4Å; Q802-D805 VanDerWaalsContact N-OD2 3.09Å; Q802-D805 WeakPolarHBondContact O-CB 3.28Å; Q802-D805 PolarHBondContact O-N 2.82Å; Q802-F806 WeakPolarHBondContact O-CE2 3.17Å | ||
| 803 | V | 35 | Very low | 36.4 | Very low | 107 Ų | 107 | 83 Ų | 83 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -58 | -22 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | D805 | V803-D805 VanDerWaalsContact C-N 3.27Å; V803-D805 PolarHBondContact O-N 3.03Å |
| 804 | T | 34.4 | Very low | 35.5 | Very low | 110 Ų | 110 | 90.7 Ų | 90.7 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -71.8 | -12.7 | 178 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | Q802 F806 | Q802-T804 PolarHBondContact O-N 3Å; T804-F806 PolarHBondContact O-N 3.11Å |
| 805 | D | 34.1 | Very low | 34.6 | Very low | 56 Ų | 56 | 91.7 Ų | 91.7 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -85.6 | 20.7 | -173.7 | -56.5 | -35.5 | 0 | 0 | 0 | 113.6 | Q597 Q802 V803 | Q597-D805 VanDerWaalsContact CB-O 3.3Å; Q597-D805 WeakPolarHBondContact CB-O 3.32Å; Q597-D805 WeakPolarHBondContact CG-O 3.22Å; Q597-D805 PolarHBondContact N-O 2.93Å; Q802-D805 PolarHBondContact N-OD2 3.4Å; Q802-D805 VanDerWaalsContact N-OD2 3.09Å; Q802-D805 WeakPolarHBondContact O-CB 3.28Å; Q802-D805 PolarHBondContact O-N 2.82Å; V803-D805 VanDerWaalsContact C-N 3.27Å; V803-D805 PolarHBondContact O-N 3.03Å |
| 806 | F | 34.6 | Very low | 33.8 | Very low | 50 Ų | 50 | 98.5 Ų | 98.5 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 140.8 | -170.1 | -58.9 | -97.5 | 0 | 0 | 0 | 113.1 | V595 I596 F658 V801 Q802 T804 | V595-F806 WeakPolarHBondContact O-CD1 3.26Å; I596-F806 HydrophobicContact CB-CE1 3.91Å; I596-F806 HydrophobicContact CG1-CD1 4.48Å; I596-F806 HydrophobicContact CG1-CE1 3.84Å; I596-F806 HydrophobicContact CG2-CE1 3.79Å; I596-F806 HydrophobicContact CG2-CZ 4.09Å; F658-F806 HydrophobicContact CD1-CE1 4.17Å; F658-F806 HydrophobicContact CD1-CE2 4.38Å; F658-F806 AromaticContact CD1-CZ 3.68Å; F658-F806 HydrophobicContact CD1-CZ 3.68Å; F658-F806 HydrophobicContact CE1-CD2 4.41Å; F658-F806 AromaticContact CE1-CE1 3.95Å; F658-F806 HydrophobicContact CE1-CE1 3.95Å; F658-F806 AromaticContact CE1-CE2 3.45Å; F658-F806 HydrophobicContact CE1-CE2 3.45Å; F658-F806 VanDerWaalsContact CE1-CE2 3.45Å; F658-F806 AromaticContact CE1-CZ 3.19Å; F658-F806 HydrophobicContact CE1-CZ 3.19Å; F658-F806 HydrophobicContact CZ-CE2 4.11Å; F658-F806 HydrophobicContact CZ-CZ 4.2Å; V801-F806 HydrophobicContact CG1-CE2 3.66Å; V801-F806 HydrophobicContact CG1-CZ 3.64Å; Q802-F806 WeakPolarHBondContact O-CE2 3.17Å; T804-F806 PolarHBondContact O-N 3.11Å |
| 807 | C | 31 | Very low | 33 | Very low | 81 Ų | 81 | 99.6 Ų | 99.6 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | trans | -134.1 | 137.6 | 172.4 | -133.1 | 0 | 0 | 0 | 0 | 111.4 | V595 | V595-C807 VanDerWaalsContact CB-O 3.3Å; V595-C807 WeakPolarHBondContact CB-O 3.36Å; V595-C807 VanDerWaalsContact CG2-O 3.31Å; V595-C807 WeakPolarHBondContact CG2-O 3.3Å | ||
| 808 | I | 30.2 | Very low | 32.2 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 32% | 0.323 | 56% | 0.56 | S | S | . | * | trans | -93.1 | 109.4 | -179.4 | -58 | 173.7 | 0 | 0 | 0 | 109 | L558 | L558-I808 HydrophobicContact CD2-CD1 3.98Š| ||
| 809 | I | 29.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 108.7 Ų | 108.7 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | -90.7 | 125.6 | 176.9 | -58 | 177 | 0 | 0 | 0 | 110.3 | V595 Q811 | V595-I809 HydrophobicContact CG2-CD1 4.1Å; V595-I809 HydrophobicContact CG2-CG1 4.2Å; I809-Q811 PolarHBondContact O-N 2.85Å | ||
| 810 | Q | 30.7 | Very low | 31 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | trans | -82.7 | 109.4 | 171.3 | -175 | 175.4 | -1.2 | 0 | 0 | 109.7 | L812 | Q810-L812 PolarHBondContact O-N 2.87Š| ||
| 811 | Q | 30 | Very low | 30.3 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | trans | -68.3 | 101.3 | 159.5 | -96.6 | -178.2 | -13.3 | 0 | 0 | 107.8 | I809 T813 | I809-Q811 PolarHBondContact O-N 2.85Å; Q811-T813 VanDerWaalsContact C-N 3.25Å; Q811-T813 PolarHBondContact O-N 2.9Å | ||
| 812 | L | 26.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 75% | 0.749 | 64% | 0.639 | S | S | * | * | trans | -64.1 | 92.1 | 161.9 | -83.8 | 155.6 | 0 | 0 | 0 | 107.2 | Q810 K814 | Q810-L812 PolarHBondContact O-N 2.87Å; L812-K814 VanDerWaalsContact C-N 3.35Å; L812-K814 PolarHBondContact O-N 3.43Å | ||
| 813 | T | 28.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | -61.1 | 100.2 | 167 | 36 | 0 | 0 | 0 | 0 | 107.8 | Q811 G815 | Q811-T813 VanDerWaalsContact C-N 3.25Å; Q811-T813 PolarHBondContact O-N 2.9Å; T813-G815 PolarHBondContact O-N 3.07Å | ||
| 814 | K | 29.1 | Very low | 28.8 | Very low | 216 Ų | 216 | 126 Ų | 126 | 94% | 0.939 | 66% | 0.656 | S | S | * | * | trans | -64.9 | 82.5 | 165.3 | -86.3 | -176.1 | 174.5 | 177.9 | 0 | 107.9 | L812 | L812-K814 VanDerWaalsContact C-N 3.35Å; L812-K814 PolarHBondContact O-N 3.43Å | ||
| 815 | G | 28.6 | Very low | 28.5 | Very low | 54 Ų | 54 | 128.5 Ų | 128.5 | 56% | 0.557 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -174.6 | 99.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T813 | T813-G815 PolarHBondContact O-N 3.07Š|
| 816 | K | 26.4 | Very low | 28.2 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | trans | 60.5 | 77.6 | 171.6 | -61.8 | 178.1 | 177.8 | 178.9 | 0 | 113.8 | N818 | K816-N818 PolarHBondContact O-N 2.01Š| ||
| 817 | L | 26 | Very low | 27.9 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -56.2 | 94.6 | 141.7 | -106.6 | 110.1 | 0 | 0 | 0 | 106.1 | S819 | L817-S819 PolarHBondContact O-N 3.38Š| ||
| 818 | N | 26.5 | Very low | 27.9 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | trans | -53.3 | 126.3 | 166.2 | -82.5 | -17.1 | 0 | 0 | 0 | 106.6 | K816 L820 | K816-N818 PolarHBondContact O-N 2.01Å; N818-L820 PolarHBondContact O-N 2.88Å | ||
| 819 | S | 28.3 | Very low | 27.8 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -65.4 | 34.3 | -167.6 | 53 | 0 | 0 | 0 | 0 | 115.4 | L817 | L817-S819 PolarHBondContact O-N 3.38Š|
| 820 | L | 28.9 | Very low | 27.8 | Very low | 147 Ų | 147 | 148 Ų | 148 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93.1 | -1.8 | 178.4 | -87.9 | 156 | 0 | 0 | 0 | 114.1 | N818 | N818-L820 PolarHBondContact O-N 2.88Š|
| 821 | Y | 25.3 | Very low | 27.8 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -133.6 | 21.9 | -176.8 | -71.7 | -81.8 | 0 | 0 | 0 | 115.5 | N823 | Y821-N823 VanDerWaalsContact C-N 3.3Å; Y821-N823 PolarHBondContact O-N 2.84Å |
| 822 | T | 24.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 154 Ų | 154 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -91 | 65.5 | 164.1 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 823 | N | 25.4 | Very low | 28.1 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -121 | 102.4 | 162.1 | -99.9 | -21.7 | 0 | 0 | 0 | 109.2 | Y821 | Y821-N823 VanDerWaalsContact C-N 3.3Å; Y821-N823 PolarHBondContact O-N 2.84Å |
| 824 | K | 27.4 | Very low | 28.1 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 39.4 | 83.5 | 152.2 | -70.4 | 178.2 | 174.2 | 176.7 | 0 | 115.9 | ||||
| 825 | I | 28.3 | Very low | 28.1 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -123.6 | 71.6 | 146.8 | -53.5 | 178.6 | 0 | 0 | 0 | 106.5 | ||||
| 826 | N | 27.3 | Very low | 28.2 | Very low | 141 Ų | 141 | 153.2 Ų | 153.2 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -79.6 | 137.5 | 163 | -83.1 | -11.8 | 0 | 0 | 0 | 108 | ||||
| 827 | N | 28.4 | Very low | 28.3 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 74 | 72.7 | 159.8 | -58.5 | -15.1 | 0 | 0 | 0 | 118.2 | ||||
| 828 | I | 29.9 | Very low | 28.4 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -134.1 | 111.1 | 140.2 | -58.3 | -178.9 | 0 | 0 | 0 | 108.4 | F830 | I828-F830 PolarHBondContact O-N 3.36Š| ||
| 829 | N | 29.8 | Very low | 28.5 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -60.9 | 97.9 | 178.7 | -82.4 | -39.8 | 0 | 0 | 0 | 111.6 | R831 | N829-R831 PolarHBondContact O-N 2.83Å; N829-R831 VanDerWaalsContact O-N 3.13Å | ||
| 830 | F | 28.6 | Very low | 28.5 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | -76.2 | 85.8 | 165.6 | -89.5 | -91.4 | 0 | 0 | 0 | 110 | I828 | I828-F830 PolarHBondContact O-N 3.36Š| ||
| 831 | R | 30.3 | Very low | 28.3 | Very low | 223 Ų | 223 | 152.5 Ų | 152.5 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -108.5 | -0.4 | 170.9 | -98.3 | -170.4 | -176 | -177.8 | 2.5 | 115.5 | N829 | N829-R831 PolarHBondContact O-N 2.83Å; N829-R831 VanDerWaalsContact O-N 3.13Å | ||
| 832 | I | 32.9 | Very low | 28.4 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -99.8 | -8.4 | -176.6 | -60.5 | 179.3 | 0 | 0 | 0 | 113.8 | ||
| 833 | F | 30.4 | Very low | 28.4 | Very low | 143 Ų | 143 | 155 Ų | 155 | 63% | 0.627 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -104.3 | 0.5 | -177.1 | -91.7 | -81.6 | 0 | 0 | 0 | 117 | G835 | F833-G835 PolarHBondContact O-N 3.11Š|
| 834 | N | 27.3 | Very low | 28.4 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -4 | 178.6 | -82.3 | -1.2 | 0 | 0 | 0 | 114.8 | ||
| 835 | G | 29.8 | Very low | 28.2 | Very low | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F833 | F833-G835 PolarHBondContact O-N 3.11Š|
| 836 | F | 31 | Very low | 28 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -9.1 | -170.3 | -101.2 | -83 | 0 | 0 | 0 | 115.2 | ||
| 837 | L | 28.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -8.2 | -174.2 | -76.7 | 166.9 | 0 | 0 | 0 | 114.9 | D839 | L837-D839 VanDerWaalsContact C-N 3.3Å; L837-D839 PolarHBondContact O-N 3.42Å |
| 838 | N | 27.2 | Very low | 27.7 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 57% | 0.567 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -77 | -9.3 | -178.9 | -85.2 | -4.5 | 0 | 0 | 0 | 114.8 | F840 | N838-F840 VanDerWaalsContact C-N 3.3Å; N838-F840 PolarHBondContact O-N 2.67Å |
| 839 | D | 29.6 | Very low | 27.5 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -83.5 | 1.2 | 179.8 | -80.6 | -11.1 | 0 | 0 | 0 | 114.8 | L837 | L837-D839 VanDerWaalsContact C-N 3.3Å; L837-D839 PolarHBondContact O-N 3.42Å |
| 840 | F | 28.2 | Very low | 27.4 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.772 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -111.9 | 30 | 179.9 | -76.6 | -80.1 | 0 | 0 | 0 | 114.8 | N838 R842 | N838-F840 VanDerWaalsContact C-N 3.3Å; N838-F840 PolarHBondContact O-N 2.67Å; F840-R842 VanDerWaalsContact C-N 3.28Å; F840-R842 PolarHBondContact O-N 3.44Å; F840-R842 VanDerWaalsContact O-N 3.09Å |
| 841 | H | 24.5 | Very low | 27.2 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -78.9 | 76.3 | 159.5 | -85.3 | -64.9 | 0 | 0 | 0 | 110.4 | ||||
| 842 | R | 28.1 | Very low | 27.2 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -107.3 | 117.7 | 164 | -73.3 | -169.8 | -179 | -168.6 | 0.4 | 109.4 | F840 C844 | F840-R842 VanDerWaalsContact C-N 3.28Å; F840-R842 PolarHBondContact O-N 3.44Å; F840-R842 VanDerWaalsContact O-N 3.09Å; R842-C844 PolarHBondContact O-N 2.91Å | ||
| 843 | N | 23.4 | Very low | 27.1 | Very low | 165 Ų | 165 | 132 Ų | 132 | 88% | 0.882 | 68% | 0.684 | S | S | * | * | trans | -64 | 97.9 | 177 | -80.2 | -25.1 | 0 | 0 | 0 | 110 | ||||
| 844 | C | 25.8 | Very low | 27.1 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 68% | 0.676 | 69% | 0.691 | S | S | * | * | trans | -77.4 | 119.4 | 173.9 | -61 | 0 | 0 | 0 | 0 | 110.4 | R842 | R842-C844 PolarHBondContact O-N 2.91Š| ||
| 845 | T | 23.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -88.9 | 103.5 | 164.3 | 34.8 | 0 | 0 | 0 | 0 | 109.3 | V847 | T845-V847 PolarHBondContact O-N 3.31Š| ||
| 846 | T | 24.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | trans | -65.5 | 112.8 | 170.7 | 36 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 847 | V | 22.5 | Very low | 26.9 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | trans | -92.1 | 109.3 | 165.3 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | T845 W849 | T845-V847 PolarHBondContact O-N 3.31Å; V847-W849 VanDerWaalsContact O-CD1 3.32Å; V847-W849 PolarHBondContact O-N 2.95Å | ||
| 848 | Q | 25 | Very low | 26.8 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -72.4 | 105.8 | 171.8 | -88.8 | -174.8 | -35.1 | 0 | 0 | 109.6 | S850 S851 | Q848-S850 PolarHBondContact O-N 3.06Å; Q848-S851 PolarHBondContact O-OG 3.48Å | ||
| 849 | W | 26.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 53% | 0.527 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -66.4 | -0.2 | -178.4 | -83.4 | 73.5 | 0 | 0 | 0 | 115.8 | V847 S851 F852 | V847-W849 VanDerWaalsContact O-CD1 3.32Å; V847-W849 PolarHBondContact O-N 2.95Å; W849-S851 PolarHBondContact O-N 3.15Å; W849-F852 HydrophobicContact CE3-CB 4Å; W849-F852 HydrophobicContact CE3-CG 4.28Å; W849-F852 HydrophobicContact CZ3-CB 4.39Å; W849-F852 HydrophobicContact CZ3-CD1 4.43Å; W849-F852 HydrophobicContact CZ3-CD2 4.49Å; W849-F852 HydrophobicContact CZ3-CG 4.18Å; W849-F852 PolarHBondContact O-N 2.94Å; W849-F852 VanDerWaalsContact O-N 3.14Å |
| 850 | S | 27.4 | Very low | 26.7 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -61.1 | -15.3 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 114 | Q848 | Q848-S850 PolarHBondContact O-N 3.06Š|
| 851 | S | 26.2 | Very low | 26.6 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -87.9 | -19.4 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | Q848 W849 F853 K854 | Q848-S851 PolarHBondContact O-OG 3.48Å; W849-S851 PolarHBondContact O-N 3.15Å; S851-F853 PolarHBondContact O-N 3.27Å; S851-K854 PolarHBondContact O-N 2.91Å |
| 852 | F | 29.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 51% | 0.513 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | -34.1 | -174.7 | -146.7 | -89.8 | 0 | 0 | 0 | 112.6 | L780 W849 | L780-F852 HydrophobicContact CD2-CE1 3.82Å; L780-F852 HydrophobicContact CD2-CZ 4.45Å; W849-F852 HydrophobicContact CE3-CB 4Å; W849-F852 HydrophobicContact CE3-CG 4.28Å; W849-F852 HydrophobicContact CZ3-CB 4.39Å; W849-F852 HydrophobicContact CZ3-CD1 4.43Å; W849-F852 HydrophobicContact CZ3-CD2 4.49Å; W849-F852 HydrophobicContact CZ3-CG 4.18Å; W849-F852 PolarHBondContact O-N 2.94Å; W849-F852 VanDerWaalsContact O-N 3.14Å |
| 853 | F | 31.5 | Very low | 26.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 50% | 0.496 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -11.2 | 178.3 | -68.7 | -73.2 | 0 | 0 | 0 | 114.3 | F771 S851 Y855 | F771-F853 HydrophobicContact CE1-CZ 4.28Å; S851-F853 PolarHBondContact O-N 3.27Å; F853-Y855 VanDerWaalsContact C-N 3.33Å |
| 854 | K | 29.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 77% | 0.774 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -18.9 | 174.6 | -112.5 | -177.2 | 179.4 | -178.2 | 0 | 113.1 | S851 | S851-K854 PolarHBondContact O-N 2.91Š|
| 855 | Y | 28 | Very low | 26.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 66% | 0.659 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110.2 | 6.4 | -175.5 | -75.9 | -73.1 | 0 | 0 | 0 | 115.2 | F853 H857 L858 | F853-Y855 VanDerWaalsContact C-N 3.33Å; Y855-H857 PolarHBondContact O-N 3.11Å; Y855-H857 VanDerWaalsContact O-N 3.11Å; Y855-L858 HydrophobicContact CD1-CD1 4.05Å; Y855-L858 HydrophobicContact CE1-CD1 4.44Å; Y855-L858 PolarHBondContact O-N 2.74Å |
| 856 | S | 28.9 | Very low | 27.2 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | 20.8 | 171.2 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 857 | H | 27 | Very low | 27.4 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 18.1 | 165.9 | -90.1 | -58.6 | 0 | 0 | 0 | 113.1 | Y855 | Y855-H857 PolarHBondContact O-N 3.11Å; Y855-H857 VanDerWaalsContact O-N 3.11Å |
| 858 | L | 27.4 | Very low | 27.9 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 100% | 1.058 | 66% | 0.662 | S | S | * | * | trans | -106.8 | 0 | 153.6 | -81.7 | 163.3 | 0 | 0 | 0 | 108 | Y855 | Y855-L858 HydrophobicContact CD1-CD1 4.05Å; Y855-L858 HydrophobicContact CE1-CD1 4.44Å; Y855-L858 PolarHBondContact O-N 2.74Å |
Retrieved 858 of 858 residues in 1136.5 ms
(Link to these results)