| 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 | 40.2 | Very low | 51.5 | Low | 206 Ų | 206 | 126.6 Ų | 126.6 | 100% | 1.015 | 62% | 0.617 | S | S | * | * | 0 | -53.2 | 0 | -78.7 | -177.7 | 170.2 | 0 | 0 | 113.9 | S3 L4 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.05Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.06Å | |||
| 2 | H | 43 | Very low | 51.8 | Low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -44.8 | -44.6 | -173.7 | -105.3 | -109.2 | 0 | 0 | 0 | 116.4 | L4 I5 H6 | H2-L4 VanDerWaalsContact C-N 3.32Å; H2-L4 PolarHBondContact O-N 3.48Å; H2-I5 PolarHBondContact O-N 2.95Å; H2-I5 VanDerWaalsContact O-N 3.16Å; H2-H6 PolarHBondContact O-N 3.22Å |
| 3 | S | 45.1 | Very low | 52.6 | Low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.8 | -35.8 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 113.9 | M1 H6 Y7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.05Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-H6 PolarHBondContact O-N 3.19Å; S3-Y7 PolarHBondContact O-N 2.89Å |
| 4 | L | 42.1 | Very low | 53.6 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.8 | -27.1 | 178 | -97.4 | 152.2 | 0 | 0 | 0 | 113.1 | M1 H2 R8 | M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.06Å; H2-L4 VanDerWaalsContact C-N 3.32Å; H2-L4 PolarHBondContact O-N 3.48Å; L4-R8 PolarHBondContact O-N 2.98Å; L4-R8 VanDerWaalsContact O-N 3.16Å |
| 5 | I | 50.9 | Low | 54 | Low | 94 Ų | 94 | 124.7 Ų | 124.7 | 48% | 0.482 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.8 | -45.2 | 174.7 | -62.2 | 169.8 | 0 | 0 | 0 | 109.3 | H2 Y7 R8 I9 | H2-I5 PolarHBondContact O-N 2.95Å; H2-I5 VanDerWaalsContact O-N 3.16Å; I5-Y7 PolarHBondContact O-N 3.49Å; I5-R8 PolarHBondContact O-N 3.08Å; I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.28Å; I5-I9 WeakPolarHBondContact O-CB 3.4Å; I5-I9 WeakPolarHBondContact O-CG1 3.17Å; I5-I9 PolarHBondContact O-N 3.29Å |
| 6 | H | 53.5 | Low | 54.7 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -40.3 | 175 | -108.7 | -74.3 | 0 | 0 | 0 | 113.1 | H2 S3 N10 | H2-H6 PolarHBondContact O-N 3.22Å; S3-H6 PolarHBondContact O-N 3.19Å; H6-N10 VanDerWaalsContact O-CB 3.3Å; H6-N10 WeakPolarHBondContact O-CB 3.45Å; H6-N10 VanDerWaalsContact O-CG 3.28Å; H6-N10 PolarHBondContact O-N 2.98Å; H6-N10 PolarHBondContact O-OD1 3.44Å |
| 7 | Y | 59.4 | Low | 55.4 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 66% | 0.655 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -44 | 176 | -167.2 | -97.7 | 0 | 0 | 0 | 111.9 | S3 I5 N10 V11 | S3-Y7 PolarHBondContact O-N 2.89Å; I5-Y7 PolarHBondContact O-N 3.49Å; Y7-N10 PolarHBondContact O-N 2.79Å; Y7-V11 HydrophobicContact CD1-CG2 4.22Å; Y7-V11 HydrophobicContact CE1-CG2 3.95Å; Y7-V11 WeakPolarHBondContact O-CB 3.13Å; Y7-V11 WeakPolarHBondContact O-CG2 3.28Å; Y7-V11 PolarHBondContact O-N 3.48Å |
| 8 | R | 46.9 | Very low | 55.5 | Low | 186 Ų | 186 | 126.8 Ų | 126.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.1 | -37.1 | 177.4 | -76.3 | -170.9 | 172.8 | -157.5 | -2.7 | 113.4 | L4 I5 F12 | L4-R8 PolarHBondContact O-N 2.98Å; L4-R8 VanDerWaalsContact O-N 3.16Å; I5-R8 PolarHBondContact O-N 3.08Å; R8-F12 WeakPolarHBondContact O-CB 3.38Å; R8-F12 PolarHBondContact O-N 3.36Å |
| 9 | I | 58.9 | Low | 55.3 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 46% | 0.456 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -46.7 | 173.7 | -70.7 | 172.4 | 0 | 0 | 0 | 110.2 | I5 V11 F12 T13 | I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.28Å; I5-I9 WeakPolarHBondContact O-CB 3.4Å; I5-I9 WeakPolarHBondContact O-CG1 3.17Å; I5-I9 PolarHBondContact O-N 3.29Å; I9-V11 PolarHBondContact O-N 3.41Å; I9-F12 CarbonylContact O-C 3.57Å; I9-F12 PolarHBondContact O-N 2.91Å; I9-F12 VanDerWaalsContact O-N 3.17Å; I9-T13 HydrophobicContact CG2-CG2 4.42Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 3.49Å |
| 10 | N | 60.5 | Low | 55.2 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 179.1 | -74.3 | 5.7 | 0 | 0 | 0 | 112.4 | H6 Y7 T13 F14 | H6-N10 VanDerWaalsContact O-CB 3.3Å; H6-N10 WeakPolarHBondContact O-CB 3.45Å; H6-N10 VanDerWaalsContact O-CG 3.28Å; H6-N10 PolarHBondContact O-N 2.98Å; H6-N10 PolarHBondContact O-OD1 3.44Å; Y7-N10 PolarHBondContact O-N 2.79Å; N10-T13 WeakPolarHBondContact CA-OG1 3.47Å; N10-T13 PolarHBondContact O-OG1 3.31Å; N10-F14 WeakPolarHBondContact O-CB 3.47Å; N10-F14 PolarHBondContact O-N 3.36Å |
| 11 | V | 65.6 | Low | 54.8 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 36% | 0.358 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -39.4 | 173 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | Y7 I9 F14 L15 | Y7-V11 HydrophobicContact CD1-CG2 4.22Å; Y7-V11 HydrophobicContact CE1-CG2 3.95Å; Y7-V11 WeakPolarHBondContact O-CB 3.13Å; Y7-V11 WeakPolarHBondContact O-CG2 3.28Å; Y7-V11 PolarHBondContact O-N 3.48Å; I9-V11 PolarHBondContact O-N 3.41Å; V11-F14 PolarHBondContact O-N 3.06Å; V11-L15 HydrophobicContact CG1-CD1 3.86Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CB 3.27Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.19Å |
| 12 | F | 54.9 | Low | 54.9 | Low | 154 Ų | 154 | 118.3 Ų | 118.3 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66 | -40.6 | 174.4 | -112.1 | -92.2 | 0 | 0 | 0 | 112.5 | R8 I9 F16 | R8-F12 WeakPolarHBondContact O-CB 3.38Å; R8-F12 PolarHBondContact O-N 3.36Å; I9-F12 CarbonylContact O-C 3.57Å; I9-F12 PolarHBondContact O-N 2.91Å; I9-F12 VanDerWaalsContact O-N 3.17Å; F12-F16 WeakPolarHBondContact O-CB 3.26Å; F12-F16 PolarHBondContact O-N 3.37Å |
| 13 | T | 63.3 | Low | 54.8 | Low | 78 Ų | 78 | 117.1 Ų | 117.1 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.4 | -35.6 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | I9 N10 F16 Y17 | I9-T13 HydrophobicContact CG2-CG2 4.42Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 3.49Å; N10-T13 WeakPolarHBondContact CA-OG1 3.47Å; N10-T13 PolarHBondContact O-OG1 3.31Å; T13-F16 PolarHBondContact O-N 3.16Å; T13-Y17 WeakPolarHBondContact O-CB 3.48Å; T13-Y17 PolarHBondContact O-N 3.29Å |
| 14 | F | 66.4 | Low | 54.1 | Low | 147 Ų | 147 | 117 Ų | 117 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.8 | -45.8 | 172.5 | -128.2 | -101.6 | 0 | 0 | 0 | 111.8 | N10 V11 Y17 F18 | N10-F14 WeakPolarHBondContact O-CB 3.47Å; N10-F14 PolarHBondContact O-N 3.36Å; V11-F14 PolarHBondContact O-N 3.06Å; F14-Y17 PolarHBondContact O-N 3.21Å; F14-F18 HydrophobicContact CD1-CD2 4.01Å; F14-F18 AromaticContact CD1-CE2 3.99Å; F14-F18 HydrophobicContact CD1-CE2 3.99Å; F14-F18 HydrophobicContact CE1-CD2 4.29Å; F14-F18 AromaticContact CE1-CE2 3.81Å; F14-F18 HydrophobicContact CE1-CE2 3.81Å; F14-F18 PolarHBondContact O-N 2.81Å |
| 15 | L | 59.5 | Low | 53.5 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -38.5 | 175.2 | -74.4 | 171.3 | 0 | 0 | 0 | 111.9 | V11 L19 | V11-L15 HydrophobicContact CG1-CD1 3.86Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CB 3.27Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.19Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.66Å |
| 16 | F | 65.6 | Low | 52.4 | Low | 138 Ų | 138 | 119.7 Ų | 119.7 | 61% | 0.605 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.7 | -35.5 | 176 | -162.4 | -96.4 | 0 | 0 | 0 | 111.5 | F12 T13 V20 | F12-F16 WeakPolarHBondContact O-CB 3.26Å; F12-F16 PolarHBondContact O-N 3.37Å; T13-F16 PolarHBondContact O-N 3.16Å; F16-V20 HydrophobicContact CD1-CG2 3.81Å; F16-V20 HydrophobicContact CE1-CG2 3.64Å; F16-V20 HydrophobicContact CG-CG2 4.43Å; F16-V20 HydrophobicContact CZ-CG2 4.14Å; F16-V20 WeakPolarHBondContact O-CB 3.35Å; F16-V20 WeakPolarHBondContact O-CG2 3.45Å; F16-V20 PolarHBondContact O-N 2.93Å |
| 17 | Y | 65.5 | Low | 51.3 | Low | 155 Ų | 155 | 119.7 Ų | 119.7 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69 | -41.7 | 174.4 | -141.5 | -94.2 | 0 | 0 | 0 | 111.6 | T13 F14 Q21 | T13-Y17 WeakPolarHBondContact O-CB 3.48Å; T13-Y17 PolarHBondContact O-N 3.29Å; F14-Y17 PolarHBondContact O-N 3.21Å; Y17-Q21 HydrophobicContact CD1-CG 4.19Å; Y17-Q21 HydrophobicContact CE1-CG 4.35Å; Y17-Q21 WeakPolarHBondContact O-CB 3.42Å; Y17-Q21 WeakPolarHBondContact O-CG 3.31Å; Y17-Q21 PolarHBondContact O-N 2.94Å |
| 18 | F | 57.4 | Low | 49.8 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.1 | -42.2 | 173.5 | -99.1 | -92.2 | 0 | 0 | 0 | 112.6 | F14 Q21 H22 | F14-F18 HydrophobicContact CD1-CD2 4.01Å; F14-F18 AromaticContact CD1-CE2 3.99Å; F14-F18 HydrophobicContact CD1-CE2 3.99Å; F14-F18 HydrophobicContact CE1-CD2 4.29Å; F14-F18 AromaticContact CE1-CE2 3.81Å; F14-F18 HydrophobicContact CE1-CE2 3.81Å; F14-F18 PolarHBondContact O-N 2.81Å; F18-Q21 PolarHBondContact O-N 3.18Å; F18-H22 WeakPolarHBondContact O-CB 3.41Å; F18-H22 PolarHBondContact O-N 3.19Å |
| 19 | L | 52.7 | Low | 49.4 | Very low | 104 Ų | 104 | 113 Ų | 113 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66 | -44.4 | 175.4 | -78.2 | 166.3 | 0 | 0 | 0 | 111.3 | L15 H22 I23 | L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.66Å; L19-H22 PolarHBondContact O-N 3.02Å; L19-I23 HydrophobicContact CB-CD1 4.44Å; L19-I23 VanDerWaalsContact O-CB 3.23Å; L19-I23 WeakPolarHBondContact O-CB 3.45Å; L19-I23 WeakPolarHBondContact O-CD1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.04Å |
| 20 | V | 52.7 | Low | 48.9 | Very low | 60 Ų | 60 | 112.5 Ų | 112.5 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -44.1 | 175.2 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | F16 H22 I23 T24 | F16-V20 HydrophobicContact CD1-CG2 3.81Å; F16-V20 HydrophobicContact CE1-CG2 3.64Å; F16-V20 HydrophobicContact CG-CG2 4.43Å; F16-V20 HydrophobicContact CZ-CG2 4.14Å; F16-V20 WeakPolarHBondContact O-CB 3.35Å; F16-V20 WeakPolarHBondContact O-CG2 3.45Å; F16-V20 PolarHBondContact O-N 2.93Å; V20-H22 VanDerWaalsContact C-N 3.34Å; V20-H22 PolarHBondContact O-N 3.29Å; V20-I23 CarbonylContact O-C 3.5Å; V20-I23 PolarHBondContact O-N 3.44Å; V20-T24 HydrophobicContact CG1-CG2 4.09Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 WeakPolarHBondContact O-CG2 3.44Å; V20-T24 PolarHBondContact O-N 2.99Å; V20-T24 PolarHBondContact O-OG1 2.77Å |
| 21 | Q | 47.1 | Very low | 48.9 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -32.1 | 177 | -75.7 | -169.6 | -33.2 | 0 | 0 | 113.3 | Y17 F18 | Y17-Q21 HydrophobicContact CD1-CG 4.19Å; Y17-Q21 HydrophobicContact CE1-CG 4.35Å; Y17-Q21 WeakPolarHBondContact O-CB 3.42Å; Y17-Q21 WeakPolarHBondContact O-CG 3.31Å; Y17-Q21 PolarHBondContact O-N 2.94Å; F18-Q21 PolarHBondContact O-N 3.18Å |
| 22 | H | 42.1 | Very low | 49.2 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.7 | -38.7 | 169.8 | -101 | -73.4 | 0 | 0 | 0 | 112.9 | F18 L19 V20 T25 | F18-H22 WeakPolarHBondContact O-CB 3.41Å; F18-H22 PolarHBondContact O-N 3.19Å; L19-H22 PolarHBondContact O-N 3.02Å; V20-H22 VanDerWaalsContact C-N 3.34Å; V20-H22 PolarHBondContact O-N 3.29Å; H22-T25 PolarHBondContact O-N 3.09Å; H22-T25 PolarHBondContact O-OG1 3.29Å |
| 23 | I | 40.9 | Very low | 50.6 | Low | 133 Ų | 133 | 112.3 Ų | 112.3 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78.6 | -21.5 | -178.3 | -67.8 | 166.2 | 0 | 0 | 0 | 111.9 | L19 V20 T25 | L19-I23 HydrophobicContact CB-CD1 4.44Å; L19-I23 VanDerWaalsContact O-CB 3.23Å; L19-I23 WeakPolarHBondContact O-CB 3.45Å; L19-I23 WeakPolarHBondContact O-CD1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.04Å; V20-I23 CarbonylContact O-C 3.5Å; V20-I23 PolarHBondContact O-N 3.44Å; I23-T25 VanDerWaalsContact C-N 3.31Å |
| 24 | T | 30.1 | Very low | 51.6 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 28.4 | 168.7 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | V20 | V20-T24 HydrophobicContact CG1-CG2 4.09Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 WeakPolarHBondContact O-CG2 3.44Å; V20-T24 PolarHBondContact O-N 2.99Å; V20-T24 PolarHBondContact O-OG1 2.77Å |
| 25 | T | 28.5 | Very low | 52.6 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | trans | -97.8 | 120.2 | 157 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | H22 I23 | H22-T25 PolarHBondContact O-N 3.09Å; H22-T25 PolarHBondContact O-OG1 3.29Å; I23-T25 VanDerWaalsContact C-N 3.31Å | ||
| 26 | Y | 29.2 | Very low | 53.6 | Low | 176 Ų | 176 | 105.6 Ų | 105.6 | 69% | 0.69 | 56% | 0.556 | S | S | * | * | trans | -60.9 | 145.2 | 163.9 | -89.4 | -123.1 | 0 | 0 | 0 | 108.4 | S28 | Y26-S28 PolarHBondContact O-N 3.27Š| ||
| 27 | P | 30.6 | Very low | 54.3 | Low | 117 Ų | 117 | 106.3 Ų | 106.3 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | trans | -71.9 | 67.6 | 165.6 | 30.9 | -34.6 | 0 | 0 | 0 | 110.2 | S29 | P27-S29 PolarHBondContact O-N 3.06Š| ||
| 28 | S | 28.2 | Very low | 55.2 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 115.6 | 167.9 | 48.6 | 0 | 0 | 0 | 0 | 109.1 | Y26 | Y26-S28 PolarHBondContact O-N 3.27Š|
| 29 | S | 36.6 | Very low | 56.4 | Low | 117 Ų | 117 | 96.3 Ų | 96.3 | 82% | 0.818 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 55.3 | 174 | 58.4 | 0 | 0 | 0 | 0 | 116.1 | P27 K31 | P27-S29 PolarHBondContact O-N 3.06Å; S29-K31 PolarHBondContact O-N 3.21Å |
| 30 | S | 49 | Very low | 57.9 | Low | 78 Ų | 78 | 91.4 Ų | 91.4 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 117.6 | 155.3 | 57 | 0 | 0 | 0 | 0 | 109 | E32 | S30-E32 PolarHBondContact O-N 3.23Š|
| 31 | K | 60.6 | Low | 59.1 | Low | 183 Ų | 183 | 95.3 Ų | 95.3 | 80% | 0.796 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -53 | 138.9 | 175.8 | -88.3 | -176.2 | 173.3 | 178.7 | 0 | 110.5 | S29 I33 | S29-K31 PolarHBondContact O-N 3.21Å; K31-I33 PolarHBondContact O-N 3.07Å |
| 32 | E | 73.1 | Confident | 60.5 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 21% | 0.206 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 128.1 | 171.7 | -168.7 | 179.3 | 80.7 | 0 | 0 | 110 | S30 V34 T53 V54 R76 M266 R285 | S30-E32 PolarHBondContact O-N 3.23Å; E32-V34 HydrophobicContact CG-CG2 4.16Å; E32-V34 WeakPolarHBondContact OE1-CG2 3.39Å; E32-T53 VanDerWaalsContact CG-OG1 3.23Å; E32-T53 WeakPolarHBondContact CG-OG1 3.44Å; E32-V54 HydrophobicContact CG-CG2 4.03Å; E32-R76 IonicContact OE2-CZ 3.11Å; E32-R76 IonicContact OE2-NH2 3.28Å; E32-R76 PolarHBondContact OE2-NH2 2.95Å; E32-M266 WeakPolarHBondContact OE1-CE 3.38Å; E32-R285 IonicContact OE1-CZ 3.94Å; E32-R285 IonicContact OE1-NH2 2.66Å; E32-R285 PolarHBondContact OE1-NH2 3.22Å; E32-R285 IonicContact OE2-CZ 3.93Å; E32-R285 IonicContact OE2-NH2 3.72Å; E32-R285 PolarHBondContact OE2-NH2 2.91Å |
| 33 | I | 83.8 | Confident | 62 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | trans | -110.1 | 113.1 | 172.4 | -63.7 | 175.8 | 0 | 0 | 0 | 107 | K31 R51 T53 V54 | K31-I33 PolarHBondContact O-N 3.07Å; I33-R51 VanDerWaalsContact CB-O 3.31Å; I33-R51 WeakPolarHBondContact CB-O 3.4Å; I33-R51 HydrophobicContact CD1-CB 4.02Å; I33-R51 WeakPolarHBondContact CD1-O 2.96Å; I33-R51 WeakPolarHBondContact CG2-O 3.44Å; I33-T53 PolarHBondContact N-OG1 3.35Å; I33-T53 PolarHBondContact O-N 3.45Å; I33-T53 PolarHBondContact O-OG1 3Å; I33-V54 PolarHBondContact O-N 2.68Å | ||
| 34 | V | 83.8 | Confident | 63.6 | Low | 48 Ų | 48 | 90 Ų | 90 | 29% | 0.291 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.1 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | E32 V54 E56 | E32-V34 HydrophobicContact CG-CG2 4.16Å; E32-V34 WeakPolarHBondContact OE1-CG2 3.39Å; V34-V54 HydrophobicContact CG2-CB 4.46Å; V34-E56 HydrophobicContact CG1-CB 4.13Å; V34-E56 HydrophobicContact CG1-CG 3.69Å; V34-E56 WeakPolarHBondContact CG1-OE2 3.44Å |
| 35 | C | 86.5 | Confident | 66 | Low | 26 Ų | 26 | 86.8 Ų | 86.8 | 18% | 0.176 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.3 | 177.4 | -63 | 0 | 0 | 0 | 0 | 110 | C52 V54 I55 E56 | C35-C52 HydrophobicContact CB-CB 3.82Å; C35-C52 WeakPolarHBondContact CB-SG 3.2Å; C35-C52 WeakPolarHBondContact SG-CB 3.37Å; C35-C52 CovalentContact SG-SG 2.02Å; C35-C52 PolarHBondContact SG-SG 2.97Å; C35-V54 PolarHBondContact N-O 2.96Å; C35-I55 CarbonylContact O-C 3.48Å; C35-I55 WeakPolarHBondContact O-CA 3.19Å; C35-E56 PolarHBondContact O-N 3.32Å |
| 36 | T | 81.4 | Confident | 68.4 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 67% | 0.669 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 171.2 | 174.9 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | A38 | T36-A38 PolarHBondContact O-N 2.84Å |
| 37 | R | 80.9 | Confident | 70.9 | Confident | 153 Ų | 153 | 79.1 Ų | 79.1 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -35 | 129.5 | 172.7 | -170.2 | -174 | -155 | -160.5 | 10.3 | 113.1 | E56 D58 | R37-E56 PolarHBondContact N-O 3.03Å; R37-E56 VanDerWaalsContact N-O 3.17Å; R37-D58 WeakPolarHBondContact CA-O 3.36Å; R37-D58 HydrophobicContact CG-CB 4.17Å; R37-D58 WeakPolarHBondContact CG-O 3.29Å; R37-D58 IonicContact CZ-OD2 2.73Å; R37-D58 IonicContact NE-OD2 3.78Å; R37-D58 PolarHBondContact NE-OD2 3.38Å; R37-D58 IonicContact NH2-OD2 3.75Å; R37-D58 PolarHBondContact NH2-OD2 3.2Å |
| 38 | A | 82.8 | Confident | 73.3 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T36 L49 I55 D58 L59 F60 | T36-A38 PolarHBondContact O-N 2.84Å; A38-L49 HydrophobicContact CB-CD1 3.92Å; A38-L49 HydrophobicContact CB-CD2 3.89Å; A38-I55 HydrophobicContact CB-CD1 4.04Å; A38-D58 PolarHBondContact N-O 2.97Å; A38-L59 HydrophobicContact CB-CD1 3.72Å; A38-F60 PolarHBondContact O-N 2.92Å |
| 39 | D | 83.5 | Confident | 76 | Confident | 57 Ų | 57 | 79 Ų | 79 | 31% | 0.305 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 103.6 | 178.6 | -163.7 | -27 | 0 | 0 | 0 | 109.8 | R41 | D39-R41 VanDerWaalsContact CG-NE 3.32Å; D39-R41 PolarHBondContact O-N 3.38Å; D39-R41 WeakPolarHBondContact OD1-CG 3.42Å; D39-R41 IonicContact OD1-CZ 2.94Å; D39-R41 IonicContact OD1-NE 3.08Å; D39-R41 PolarHBondContact OD1-NE 3.24Å; D39-R41 IonicContact OD1-NH2 2.65Å; D39-R41 IonicContact OD2-CZ 2.66Å; D39-R41 VanDerWaalsContact OD2-CZ 3.31Å; D39-R41 IonicContact OD2-NE 2.87Å; D39-R41 PolarHBondContact OD2-NE 3.47Å; D39-R41 VanDerWaalsContact OD2-NE 3.14Å; D39-R41 IonicContact OD2-NH2 3.2Å; D39-R41 PolarHBondContact OD2-NH2 3.37Å |
| 40 | I | 83.5 | Confident | 78.3 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 84.7 | -173.7 | -49.3 | 179.8 | 0 | 0 | 0 | 108.7 | L46 L49 L59 F60 V61 V62 T64 I66 | I40-L46 HydrophobicContact CD1-CD2 3.83Å; I40-L46 HydrophobicContact CG2-CD2 4.33Å; I40-L46 HydrophobicContact CG2-CG 4.16Å; I40-L49 HydrophobicContact CD1-CD1 3.58Å; I40-L49 HydrophobicContact CG1-CD1 3.82Å; I40-L59 HydrophobicContact CD1-CD1 3.86Å; I40-L59 HydrophobicContact CG1-CD1 4.2Å; I40-F60 PolarHBondContact N-O 3.48Å; I40-V61 HydrophobicContact CB-CG1 4.31Å; I40-V61 HydrophobicContact CD1-CG2 4.28Å; I40-V62 PolarHBondContact O-N 2.73Å; I40-V62 VanDerWaalsContact O-N 3.16Å; I40-T64 VanDerWaalsContact O-CG2 3.25Å; I40-T64 WeakPolarHBondContact O-CG2 3.47Å; I40-I66 HydrophobicContact CG2-CD1 4.15Å |
| 41 | R | 79.1 | Confident | 80 | Confident | 143 Ų | 143 | 82.8 Ų | 82.8 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -101.5 | -10.6 | 170.6 | -44.6 | -170 | -167.7 | 176.7 | 4.4 | 113.7 | D39 V62 | D39-R41 VanDerWaalsContact CG-NE 3.32Å; D39-R41 PolarHBondContact O-N 3.38Å; D39-R41 WeakPolarHBondContact OD1-CG 3.42Å; D39-R41 IonicContact OD1-CZ 2.94Å; D39-R41 IonicContact OD1-NE 3.08Å; D39-R41 PolarHBondContact OD1-NE 3.24Å; D39-R41 IonicContact OD1-NH2 2.65Å; D39-R41 IonicContact OD2-CZ 2.66Å; D39-R41 VanDerWaalsContact OD2-CZ 3.31Å; D39-R41 IonicContact OD2-NE 2.87Å; D39-R41 PolarHBondContact OD2-NE 3.47Å; D39-R41 VanDerWaalsContact OD2-NE 3.14Å; D39-R41 IonicContact OD2-NH2 3.2Å; D39-R41 PolarHBondContact OD2-NH2 3.37Å; R41-V62 WeakPolarHBondContact CA-O 3.31Å |
| 42 | H | 75.6 | Confident | 81.4 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -138.2 | 142.5 | 178.2 | -63.9 | 96.3 | 0 | 0 | 0 | 109.2 | S44 S45 | H42-S44 PolarHBondContact O-N 3.12Å; H42-S45 WeakPolarHBondContact O-CB 3.33Å; H42-S45 PolarHBondContact O-N 3.33Å; H42-S45 VanDerWaalsContact O-N 3.07Å |
| 43 | P | 73.4 | Confident | 82.2 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.3 | 179.1 | -30.5 | 39.6 | 0 | 0 | 0 | 114.4 | S45 L46 R65 P67 | P43-S45 PolarHBondContact O-N 3.44Å; P43-L46 VanDerWaalsContact O-CB 3.32Å; P43-L46 WeakPolarHBondContact O-CB 3.32Å; P43-L46 PolarHBondContact O-N 2.95Å; P43-L46 VanDerWaalsContact O-N 3.1Å; P43-R65 WeakPolarHBondContact CG-O 3.27Å; P43-P67 HydrophobicContact CB-CG 4.48Å |
| 44 | S | 76.4 | Confident | 82.5 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.1 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | H42 L46 T47 | H42-S44 PolarHBondContact O-N 3.12Å; S44-L46 PolarHBondContact O-N 3.47Å; S44-T47 PolarHBondContact O-N 3.19Å; S44-T47 PolarHBondContact O-OG1 3.28Å |
| 45 | S | 79 | Confident | 82.9 | Confident | 35 Ų | 35 | 67 Ų | 67 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -29.3 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | H42 P43 T47 R48 | H42-S45 WeakPolarHBondContact O-CB 3.33Å; H42-S45 PolarHBondContact O-N 3.33Å; H42-S45 VanDerWaalsContact O-N 3.07Å; P43-S45 PolarHBondContact O-N 3.44Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 2.93Å; S45-R48 PolarHBondContact O-N 3.04Å |
| 46 | L | 80 | Confident | 82.9 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.5 | -34.3 | -179.8 | -68.5 | 156.7 | 0 | 0 | 0 | 112 | I40 P43 S44 R48 L49 L50 I66 A70 L72 L96 | I40-L46 HydrophobicContact CD1-CD2 3.83Å; I40-L46 HydrophobicContact CG2-CD2 4.33Å; I40-L46 HydrophobicContact CG2-CG 4.16Å; P43-L46 VanDerWaalsContact O-CB 3.32Å; P43-L46 WeakPolarHBondContact O-CB 3.32Å; P43-L46 PolarHBondContact O-N 2.95Å; P43-L46 VanDerWaalsContact O-N 3.1Å; S44-L46 PolarHBondContact O-N 3.47Å; L46-R48 PolarHBondContact O-N 3.33Å; L46-L49 CarbonylContact O-C 3.21Å; L46-L49 WeakPolarHBondContact O-CA 3.3Å; L46-L49 PolarHBondContact O-N 3.41Å; L46-L50 PolarHBondContact O-N 2.99Å; L46-I66 HydrophobicContact CD1-CG1 4.36Å; L46-I66 HydrophobicContact CD1-CG2 4.14Å; L46-A70 HydrophobicContact CD1-CB 3.93Å; L46-L72 HydrophobicContact CD2-CD1 4.47Å; L46-L72 HydrophobicContact CD2-CD2 4.1Å; L46-L72 HydrophobicContact CD2-CG 4.34Å; L46-L96 HydrophobicContact CD2-CD1 3.78Å |
| 47 | T | 81.3 | Confident | 83.2 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.6 | -34.8 | -179.3 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | S44 S45 L49 | S44-T47 PolarHBondContact O-N 3.19Å; S44-T47 PolarHBondContact O-OG1 3.28Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 2.93Å; T47-L49 VanDerWaalsContact C-N 3.27Å; T47-L49 PolarHBondContact O-N 3.41Å |
| 48 | R | 81.1 | Confident | 83.6 | Confident | 194 Ų | 194 | 55.5 Ų | 55.5 | 73% | 0.732 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.3 | -23 | 175.1 | -66.8 | 176.8 | 59.7 | 176.8 | -2.3 | 112.7 | S45 L46 | S45-R48 PolarHBondContact O-N 3.04Å; L46-R48 PolarHBondContact O-N 3.33Å |
| 49 | L | 84.6 | Confident | 84.1 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -97.6 | -14.6 | -174.5 | -59 | 174.8 | 0 | 0 | 0 | 113.5 | A38 I40 L46 T47 R51 C52 L72 | A38-L49 HydrophobicContact CB-CD1 3.92Å; A38-L49 HydrophobicContact CB-CD2 3.89Å; I40-L49 HydrophobicContact CD1-CD1 3.58Å; I40-L49 HydrophobicContact CG1-CD1 3.82Å; L46-L49 CarbonylContact O-C 3.21Å; L46-L49 WeakPolarHBondContact O-CA 3.3Å; L46-L49 PolarHBondContact O-N 3.41Å; T47-L49 VanDerWaalsContact C-N 3.27Å; T47-L49 PolarHBondContact O-N 3.41Å; L49-R51 PolarHBondContact O-N 3.25Å; L49-C52 VanDerWaalsContact CA-SG 3.59Å; L49-C52 WeakPolarHBondContact O-CB 3.08Å; L49-C52 PolarHBondContact O-N 3.01Å; L49-L72 HydrophobicContact CB-CD1 4.05Å; L49-L72 HydrophobicContact CB-CD2 3.61Å; L49-L72 HydrophobicContact CD1-CD1 4.24Å |
| 50 | L | 84.7 | Confident | 84.5 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 45% | 0.45 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.4 | -177.8 | -79.6 | 175 | 0 | 0 | 0 | 115.9 | L46 S71 F74 | L46-L50 PolarHBondContact O-N 2.99Å; L50-S71 WeakPolarHBondContact CD2-O 3.38Å; L50-F74 VanDerWaalsContact O-CD2 3.3Å; L50-F74 WeakPolarHBondContact O-CD2 3.41Å |
| 51 | R | 85.4 | Confident | 84.7 | Confident | 190 Ų | 190 | 53.9 Ų | 53.9 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -4.9 | 177.3 | -65.2 | -175 | 179.8 | 177.4 | 0.6 | 113.9 | I33 L49 T53 | I33-R51 VanDerWaalsContact CB-O 3.31Å; I33-R51 WeakPolarHBondContact CB-O 3.4Å; I33-R51 HydrophobicContact CD1-CB 4.02Å; I33-R51 WeakPolarHBondContact CD1-O 2.96Å; I33-R51 WeakPolarHBondContact CG2-O 3.44Å; L49-R51 PolarHBondContact O-N 3.25Å; R51-T53 PolarHBondContact O-N 2.91Å |
| 52 | C | 88.7 | Confident | 85 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | trans | -71.4 | 124.5 | -175.3 | -59.4 | 0 | 0 | 0 | 0 | 111 | C35 L49 F74 L75 | C35-C52 HydrophobicContact CB-CB 3.82Å; C35-C52 WeakPolarHBondContact CB-SG 3.2Å; C35-C52 WeakPolarHBondContact SG-CB 3.37Å; C35-C52 CovalentContact SG-SG 2.02Å; C35-C52 PolarHBondContact SG-SG 2.97Å; L49-C52 VanDerWaalsContact CA-SG 3.59Å; L49-C52 WeakPolarHBondContact O-CB 3.08Å; L49-C52 PolarHBondContact O-N 3.01Å; C52-F74 CarbonylContact O-C 3.52Å; C52-L75 WeakPolarHBondContact O-CA 3.21Å; C52-L75 PolarHBondContact O-N 3.49Å | ||
| 53 | T | 90.8 | Very high | 84.9 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -90.5 | -27.5 | 168.4 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | E32 I33 R51 F74 R76 | E32-T53 VanDerWaalsContact CG-OG1 3.23Å; E32-T53 WeakPolarHBondContact CG-OG1 3.44Å; I33-T53 PolarHBondContact N-OG1 3.35Å; I33-T53 PolarHBondContact O-N 3.45Å; I33-T53 PolarHBondContact O-OG1 3Å; R51-T53 PolarHBondContact O-N 2.91Å; T53-F74 WeakPolarHBondContact CA-O 3.48Å; T53-F74 HydrophobicContact CG2-CB 3.99Å; T53-R76 WeakPolarHBondContact O-CG 3.49Å; T53-R76 PolarHBondContact O-N 2.97Å |
| 54 | V | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.3 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | E32 I33 V34 C35 E56 E77 | E32-V54 HydrophobicContact CG-CG2 4.03Å; I33-V54 PolarHBondContact O-N 2.68Å; V34-V54 HydrophobicContact CG2-CB 4.46Å; C35-V54 PolarHBondContact N-O 2.96Å; V54-E56 HydrophobicContact CG1-CG 4.39Å; V54-E77 WeakPolarHBondContact CA-O 3.39Å; V54-E77 HydrophobicContact CG1-CB 4.22Å; V54-E77 HydrophobicContact CG1-CG 4.45Å; V54-E77 HydrophobicContact CG2-CB 4.22Å |
| 55 | I | 90.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.1 | 166.9 | -67.8 | 168.8 | 0 | 0 | 0 | 108.7 | C35 A38 G57 L59 L75 E77 T79 | C35-I55 CarbonylContact O-C 3.48Å; C35-I55 WeakPolarHBondContact O-CA 3.19Å; A38-I55 HydrophobicContact CB-CD1 4.04Å; I55-G57 PolarHBondContact O-N 3.22Å; I55-L59 HydrophobicContact CD1-CB 4.06Å; I55-L59 HydrophobicContact CD1-CD1 4.08Å; I55-L59 HydrophobicContact CD1-CD2 4.11Å; I55-L59 HydrophobicContact CD1-CG 4.3Å; I55-L75 HydrophobicContact CB-CD1 4.5Å; I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 3.78Å; I55-L75 HydrophobicContact CG1-CD1 3.84Å; I55-E77 PolarHBondContact N-O 3.4Å; I55-T79 PolarHBondContact O-N 2.91Å |
| 56 | E | 88.4 | Confident | 85.2 | Confident | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 95.3 | 168.4 | -77.2 | 180 | 174.7 | 0 | 0 | 108.3 | V34 C35 R37 V54 T79 L283 R285 R286 | V34-E56 HydrophobicContact CG1-CB 4.13Å; V34-E56 HydrophobicContact CG1-CG 3.69Å; V34-E56 WeakPolarHBondContact CG1-OE2 3.44Å; C35-E56 PolarHBondContact O-N 3.32Å; R37-E56 PolarHBondContact N-O 3.03Å; R37-E56 VanDerWaalsContact N-O 3.17Å; V54-E56 HydrophobicContact CG1-CG 4.39Å; E56-T79 WeakPolarHBondContact CA-OG1 3.43Å; E56-T79 HydrophobicContact CG-CG2 4.01Å; E56-L283 HydrophobicContact CB-CD1 3.79Å; E56-L283 HydrophobicContact CG-CD1 3.78Å; E56-R285 WeakPolarHBondContact OE1-CD 3.36Å; E56-R285 IonicContact OE1-NE 3.77Å; E56-R285 PolarHBondContact OE1-NE 2.66Å; E56-R286 IonicContact OE1-CZ 3.71Å; E56-R286 IonicContact OE1-NE 2.71Å; E56-R286 PolarHBondContact OE1-NE 2.93Å; E56-R286 IonicContact OE1-NH2 3.7Å; E56-R286 PolarHBondContact OE1-NH2 3.19Å; E56-R286 IonicContact OE2-CZ 2.76Å; E56-R286 IonicContact OE2-NE 3.76Å; E56-R286 IonicContact OE2-NH2 3.17Å; E56-R286 PolarHBondContact OE2-NH2 2.85Å |
| 57 | G | 86 | Confident | 85.2 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.6 | -169.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I55 I78 T79 G80 | I55-G57 PolarHBondContact O-N 3.22Å; G57-I78 WeakPolarHBondContact O-CG2 3.31Å; G57-T79 PolarHBondContact N-OG1 2.89Å; G57-G80 WeakPolarHBondContact O-CA 3.36Å; G57-G80 PolarHBondContact O-N 3.21Å |
| 58 | D | 89.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 157.1 | 171.9 | -48.6 | -62.6 | 0 | 0 | 0 | 112.7 | R37 A38 F60 S81 T107 | R37-D58 WeakPolarHBondContact CA-O 3.36Å; R37-D58 HydrophobicContact CG-CB 4.17Å; R37-D58 WeakPolarHBondContact CG-O 3.29Å; R37-D58 IonicContact CZ-OD2 2.73Å; R37-D58 IonicContact NE-OD2 3.78Å; R37-D58 PolarHBondContact NE-OD2 3.38Å; R37-D58 IonicContact NH2-OD2 3.75Å; R37-D58 PolarHBondContact NH2-OD2 3.2Å; A38-D58 PolarHBondContact N-O 2.97Å; D58-F60 HydrophobicContact CB-CD1 3.84Å; D58-F60 HydrophobicContact CB-CE1 3.43Å; D58-F60 VanDerWaalsContact CB-CE1 3.43Å; D58-F60 HydrophobicContact CB-CZ 3.87Å; D58-S81 CarbonylContact C-O 3.59Å; D58-S81 VanDerWaalsContact CA-O 3.3Å; D58-S81 WeakPolarHBondContact CA-O 3.29Å; D58-S81 WeakPolarHBondContact CB-O 3.48Å; D58-S81 PolarHBondContact OD1-N 3.19Å; D58-S81 PolarHBondContact OD1-OG 3.39Å; D58-T107 PolarHBondContact OD1-OG1 3.09Å |
| 59 | L | 93.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 112.4 | 161.1 | 172.8 | 58.3 | 0 | 0 | 0 | 109.4 | A38 I40 I55 V61 L75 I78 S81 L82 L83 L97 | A38-L59 HydrophobicContact CB-CD1 3.72Å; I40-L59 HydrophobicContact CD1-CD1 3.86Å; I40-L59 HydrophobicContact CG1-CD1 4.2Å; I55-L59 HydrophobicContact CD1-CB 4.06Å; I55-L59 HydrophobicContact CD1-CD1 4.08Å; I55-L59 HydrophobicContact CD1-CD2 4.11Å; I55-L59 HydrophobicContact CD1-CG 4.3Å; L59-V61 HydrophobicContact CD1-CG2 4.27Å; L59-V61 HydrophobicContact CG-CG2 4.24Å; L59-L75 HydrophobicContact CD2-CD2 4.03Å; L59-I78 HydrophobicContact CB-CD1 3.98Å; L59-I78 HydrophobicContact CB-CG1 4.47Å; L59-I78 HydrophobicContact CD2-CD1 3.88Å; L59-S81 PolarHBondContact N-O 2.86Å; L59-L82 HydrophobicContact CB-CD1 4.24Å; L59-L82 HydrophobicContact CD2-CD1 4Å; L59-L82 HydrophobicContact CG-CD1 4Å; L59-L82 WeakPolarHBondContact O-CA 3.35Å; L59-L83 PolarHBondContact O-N 3.42Å; L59-L97 HydrophobicContact CD2-CD1 4.38Å; L59-L97 HydrophobicContact CD2-CD2 3.95Å |
| 60 | F | 91.8 | Very high | 84.9 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.2 | 174.7 | -63.2 | -15.3 | 0 | 0 | 0 | 110.3 | A38 I40 D58 V62 L83 V109 | A38-F60 PolarHBondContact O-N 2.92Å; I40-F60 PolarHBondContact N-O 3.48Å; D58-F60 HydrophobicContact CB-CD1 3.84Å; D58-F60 HydrophobicContact CB-CE1 3.43Å; D58-F60 VanDerWaalsContact CB-CE1 3.43Å; D58-F60 HydrophobicContact CB-CZ 3.87Å; F60-V62 HydrophobicContact CB-CG2 4.07Å; F60-L83 HydrophobicContact CD1-CB 3.57Å; F60-L83 HydrophobicContact CD1-CD2 4.22Å; F60-L83 HydrophobicContact CE1-CB 4.05Å; F60-L83 HydrophobicContact CE1-CD2 4.46Å; F60-L83 HydrophobicContact CG-CB 4.33Å; F60-L83 HydrophobicContact CG-CD2 4.41Å; F60-V109 HydrophobicContact CE1-CG2 4.15Å; F60-V109 HydrophobicContact CZ-CG2 4.39Å |
| 61 | V | 88.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 101.9 | 175.8 | -163.5 | 0 | 0 | 0 | 0 | 107.1 | I40 L59 T64 I66 L83 V84 Y85 V87 L96 | I40-V61 HydrophobicContact CB-CG1 4.31Å; I40-V61 HydrophobicContact CD1-CG2 4.28Å; L59-V61 HydrophobicContact CD1-CG2 4.27Å; L59-V61 HydrophobicContact CG-CG2 4.24Å; V61-T64 HydrophobicContact CG1-CG2 4.13Å; V61-I66 HydrophobicContact CG1-CD1 3.43Å; V61-I66 VanDerWaalsContact CG1-CD1 3.43Å; V61-L83 PolarHBondContact N-O 3.27Å; V61-V84 WeakPolarHBondContact O-CA 3.21Å; V61-Y85 PolarHBondContact O-N 2.73Å; V61-V87 HydrophobicContact CB-CG2 4.21Å; V61-V87 HydrophobicContact CG1-CG1 4.12Å; V61-V87 HydrophobicContact CG1-CG2 3.79Å; V61-V87 WeakPolarHBondContact O-CG2 3.42Å; V61-L96 HydrophobicContact CG1-CD2 4.36Å |
| 62 | V | 85.2 | Confident | 85.3 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 128.5 | -157.9 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | I40 R41 F60 T64 L83 Y85 | I40-V62 PolarHBondContact O-N 2.73Å; I40-V62 VanDerWaalsContact O-N 3.16Å; R41-V62 WeakPolarHBondContact CA-O 3.31Å; F60-V62 HydrophobicContact CB-CG2 4.07Å; V62-T64 PolarHBondContact O-N 2.96Å; V62-L83 HydrophobicContact CG2-CD2 4Å; V62-L83 HydrophobicContact CG2-CG 4.22Å; V62-Y85 VanDerWaalsContact CA-O 3.32Å; V62-Y85 WeakPolarHBondContact CA-O 3.3Å |
| 63 | F | 72.9 | Confident | 85.3 | Confident | 111 Ų | 111 | 41.2 Ų | 41.2 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 48.4 | 174.9 | -59.4 | -54.2 | 0 | 0 | 0 | 114.2 | Y85 D86 L1214 | F63-Y85 HydrophobicContact CD1-CD1 4.31Å; F63-Y85 HydrophobicContact CD1-CE1 4.48Å; F63-Y85 AromaticContact CE1-CD1 3.68Å; F63-Y85 HydrophobicContact CE1-CD1 3.68Å; F63-Y85 AromaticContact CE1-CE1 3.48Å; F63-Y85 HydrophobicContact CE1-CE1 3.48Å; F63-Y85 VanDerWaalsContact CE1-CE1 3.48Å; F63-Y85 AromaticContact CZ-CD1 3.79Å; F63-Y85 HydrophobicContact CZ-CD1 3.79Å; F63-Y85 AromaticContact CZ-CE1 3.55Å; F63-Y85 HydrophobicContact CZ-CE1 3.55Å; F63-Y85 PolarHBondContact N-O 3.4Å; F63-D86 WeakPolarHBondContact CA-O 3.03Å; F63-D86 HydrophobicContact CD1-CB 3.88Å; F63-D86 HydrophobicContact CE1-CB 4.01Å; F63-D86 PolarHBondContact N-O 3.08Å; F63-L1214 HydrophobicContact CD1-CD1 3.85Å; F63-L1214 HydrophobicContact CE1-CD1 3.3Å; F63-L1214 HydrophobicContact CZ-CD1 3.81Å |
| 64 | T | 74.7 | Confident | 85.3 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.9 | -170.6 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | I40 V61 V62 I66 V87 E88 | I40-T64 VanDerWaalsContact O-CG2 3.25Å; I40-T64 WeakPolarHBondContact O-CG2 3.47Å; V61-T64 HydrophobicContact CG1-CG2 4.13Å; V62-T64 PolarHBondContact O-N 2.96Å; T64-I66 HydrophobicContact CG2-CD1 3.97Å; T64-I66 HydrophobicContact CG2-CG1 3.88Å; T64-V87 HydrophobicContact CG2-CG1 4.28Å; T64-V87 HydrophobicContact CG2-CG2 4.33Å; T64-E88 PolarHBondContact O-N 3.38Å; T64-E88 VanDerWaalsContact O-N 3.09Å |
| 65 | R | 80.4 | Confident | 85.4 | Confident | 175 Ų | 175 | 46.3 Ų | 46.3 | 66% | 0.66 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 95 | 172 | -85.3 | 179.7 | 168.9 | 151.1 | 12.5 | 109.9 | P43 E88 | P43-R65 WeakPolarHBondContact CG-O 3.27Å; R65-E88 CarbonylContact C-O 3.43Å; R65-E88 WeakPolarHBondContact CA-O 3.16Å; R65-E88 HydrophobicContact CG-CB 3.88Å; R65-E88 IonicContact CZ-OE1 2.79Å; R65-E88 IonicContact CZ-OE2 3.19Å; R65-E88 IonicContact NE-OE1 3.63Å; R65-E88 IonicContact NE-OE2 3.43Å; R65-E88 PolarHBondContact NE-OE2 3.45Å; R65-E88 IonicContact NH2-OE1 3.26Å; R65-E88 PolarHBondContact NH2-OE1 3.36Å; R65-E88 VanDerWaalsContact NH2-OE1 3.08Å; R65-E88 IonicContact NH2-OE2 3.99Å; R65-E88 PolarHBondContact NH2-OE2 3.13Å |
| 66 | I | 80 | Confident | 85.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -83.8 | 135.8 | -178.4 | -71.3 | 179.7 | 0 | 0 | 0 | 110.1 | I40 L46 V61 T64 A70 V87 E88 G89 P90 L96 | I40-I66 HydrophobicContact CG2-CD1 4.15Å; L46-I66 HydrophobicContact CD1-CG1 4.36Å; L46-I66 HydrophobicContact CD1-CG2 4.14Å; V61-I66 HydrophobicContact CG1-CD1 3.43Å; V61-I66 VanDerWaalsContact CG1-CD1 3.43Å; T64-I66 HydrophobicContact CG2-CD1 3.97Å; T64-I66 HydrophobicContact CG2-CG1 3.88Å; I66-A70 HydrophobicContact CG2-CB 3.8Å; I66-V87 HydrophobicContact CD1-CG1 4.05Å; I66-V87 HydrophobicContact CG1-CG1 4.4Å; I66-E88 PolarHBondContact N-O 3.28Å; I66-G89 VanDerWaalsContact O-CA 3.3Å; I66-G89 WeakPolarHBondContact O-CA 3.44Å; I66-P90 HydrophobicContact CB-CG 4.46Å; I66-P90 HydrophobicContact CG2-CG 4.38Å; I66-L96 HydrophobicContact CD1-CD2 3.94Å; I66-L96 HydrophobicContact CG2-CD1 4.33Å | ||
| 67 | P | 81.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | trans | -56.9 | 140.6 | 173.9 | -23.4 | 33.2 | 0 | 0 | 0 | 111.4 | P43 D69 A70 | P43-P67 HydrophobicContact CB-CG 4.48Å; P67-D69 WeakPolarHBondContact CB-OD1 3.32Å; P67-D69 PolarHBondContact O-N 3.05Å; P67-D69 VanDerWaalsContact O-N 3.14Å; P67-A70 HydrophobicContact CB-CB 4.05Å; P67-A70 HydrophobicContact CG-CB 4.3Å; P67-A70 WeakPolarHBondContact O-CB 3.33Å; P67-A70 PolarHBondContact O-N 3.25Å | ||
| 68 | R | 78.6 | Confident | 86.1 | Confident | 158 Ų | 158 | 46.8 Ų | 46.8 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.2 | -175.3 | -71.6 | 177.3 | 167.8 | -77.1 | -10.7 | 113.3 | G89 D91 | R68-G89 PolarHBondContact NH1-O 2.81Å; R68-D91 IonicContact CZ-OD1 3.41Å; R68-D91 IonicContact NH1-OD1 2.73Å; R68-D91 PolarHBondContact NH1-OD1 2.86Å; R68-D91 IonicContact NH1-OD2 2.76Å; R68-D91 IonicContact NH2-OD1 3.21Å; R68-D91 PolarHBondContact NH2-OD1 3.48Å; R68-D91 VanDerWaalsContact NH2-OD1 3.08Å |
| 69 | D | 79.9 | Confident | 86.2 | Confident | 142 Ų | 142 | 46.6 Ų | 46.6 | 76% | 0.759 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.3 | 179.4 | 58.1 | -47.1 | 0 | 0 | 0 | 113.6 | P67 S71 | P67-D69 WeakPolarHBondContact CB-OD1 3.32Å; P67-D69 PolarHBondContact O-N 3.05Å; P67-D69 VanDerWaalsContact O-N 3.14Å; D69-S71 PolarHBondContact O-N 2.82Å |
| 70 | A | 82.4 | Confident | 86 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | trans | -75.5 | 124.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L46 I66 P67 | L46-A70 HydrophobicContact CD1-CB 3.93Å; I66-A70 HydrophobicContact CG2-CB 3.8Å; P67-A70 HydrophobicContact CB-CB 4.05Å; P67-A70 HydrophobicContact CG-CB 4.3Å; P67-A70 WeakPolarHBondContact O-CB 3.33Å; P67-A70 PolarHBondContact O-N 3.25Å | ||
| 71 | S | 87.5 | Confident | 86 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | trans | -134.8 | 150 | -179.2 | -162.7 | 0 | 0 | 0 | 0 | 111.9 | L50 D69 P73 N95 | L50-S71 WeakPolarHBondContact CD2-O 3.38Å; D69-S71 PolarHBondContact O-N 2.82Å; S71-P73 WeakPolarHBondContact O-CD 3.4Å; S71-N95 VanDerWaalsContact CA-O 3.32Å; S71-N95 WeakPolarHBondContact CA-O 3.22Å; S71-N95 WeakPolarHBondContact CB-O 3.36Å; S71-N95 PolarHBondContact OG-O 3.38Å | ||
| 72 | L | 89.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -110.4 | 69.3 | 168.4 | -58.8 | -177.8 | 0 | 0 | 0 | 109.1 | L46 L49 F74 L75 L96 L97 | L46-L72 HydrophobicContact CD2-CD1 4.47Å; L46-L72 HydrophobicContact CD2-CD2 4.1Å; L46-L72 HydrophobicContact CD2-CG 4.34Å; L49-L72 HydrophobicContact CB-CD1 4.05Å; L49-L72 HydrophobicContact CB-CD2 3.61Å; L49-L72 HydrophobicContact CD1-CD1 4.24Å; L72-F74 PolarHBondContact O-N 3.5Å; L72-L75 HydrophobicContact CB-CB 4.25Å; L72-L75 HydrophobicContact CD1-CD2 4.31Å; L72-L75 PolarHBondContact O-N 3.07Å; L72-L75 VanDerWaalsContact O-N 3.14Å; L72-L96 WeakPolarHBondContact CB-O 3.28Å; L72-L96 HydrophobicContact CG-CD1 4.39Å; L72-L96 PolarHBondContact N-O 3.33Å; L72-L97 HydrophobicContact CD1-CD2 4.12Å | ||
| 73 | P | 88.4 | Confident | 86.7 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.4 | -161.4 | 27.5 | -37.4 | 0 | 0 | 0 | 114.7 | S71 N99 | S71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-N99 PolarHBondContact O-ND2 2.76Å |
| 74 | F | 90.4 | Very high | 87.6 | Confident | 116 Ų | 116 | 40.4 Ų | 40.4 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -14.3 | 179.9 | -57.2 | -70.8 | 0 | 0 | 0 | 113.9 | L50 C52 T53 L72 R76 | L50-F74 VanDerWaalsContact O-CD2 3.3Å; L50-F74 WeakPolarHBondContact O-CD2 3.41Å; C52-F74 CarbonylContact O-C 3.52Å; T53-F74 WeakPolarHBondContact CA-O 3.48Å; T53-F74 HydrophobicContact CG2-CB 3.99Å; L72-F74 PolarHBondContact O-N 3.5Å; F74-R76 PolarHBondContact O-N 3.19Å |
| 75 | L | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -72.3 | 115.8 | -172.1 | -177.1 | 63.6 | 0 | 0 | 0 | 111 | C52 I55 L59 L72 L97 N99 L100 | C52-L75 WeakPolarHBondContact O-CA 3.21Å; C52-L75 PolarHBondContact O-N 3.49Å; I55-L75 HydrophobicContact CB-CD1 4.5Å; I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 3.78Å; I55-L75 HydrophobicContact CG1-CD1 3.84Å; L59-L75 HydrophobicContact CD2-CD2 4.03Å; L72-L75 HydrophobicContact CB-CB 4.25Å; L72-L75 HydrophobicContact CD1-CD2 4.31Å; L72-L75 PolarHBondContact O-N 3.07Å; L72-L75 VanDerWaalsContact O-N 3.14Å; L75-L97 HydrophobicContact CD2-CD2 4Å; L75-N99 CarbonylContact O-C 3.58Å; L75-N99 VanDerWaalsContact O-C 3.23Å; L75-L100 WeakPolarHBondContact O-CA 3.49Å; L75-L100 PolarHBondContact O-N 3.04Å | ||
| 76 | R | 92.8 | Very high | 88.2 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 19% | 0.185 | 19% | 0.188 | C | C | . | . | trans | -113.9 | -23.5 | -177.9 | 59.2 | 170.2 | -177.8 | -149.8 | 7 | 114.8 | E32 T53 F74 N99 T101 L102 | E32-R76 IonicContact OE2-CZ 3.11Å; E32-R76 IonicContact OE2-NH2 3.28Å; E32-R76 PolarHBondContact OE2-NH2 2.95Å; T53-R76 WeakPolarHBondContact O-CG 3.49Å; T53-R76 PolarHBondContact O-N 2.97Å; F74-R76 PolarHBondContact O-N 3.19Å; R76-N99 WeakPolarHBondContact CA-O 3.42Å; R76-T101 PolarHBondContact O-N 3.2Å; R76-L102 PolarHBondContact O-N 3.25Å | ||
| 77 | E | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.9 | -173.2 | -174.2 | 178.5 | 146.1 | 0 | 0 | 112.7 | V54 I55 L102 R104 A261 R285 | V54-E77 WeakPolarHBondContact CA-O 3.39Å; V54-E77 HydrophobicContact CG1-CB 4.22Å; V54-E77 HydrophobicContact CG1-CG 4.45Å; V54-E77 HydrophobicContact CG2-CB 4.22Å; I55-E77 PolarHBondContact N-O 3.4Å; E77-L102 WeakPolarHBondContact CA-O 2.91Å; E77-L102 HydrophobicContact CG-CB 4.23Å; E77-L102 HydrophobicContact CG-CD2 3.92Å; E77-L102 HydrophobicContact CG-CG 4.07Å; E77-R104 IonicContact OE1-CZ 3.2Å; E77-R104 IonicContact OE1-NE 2.73Å; E77-R104 PolarHBondContact OE1-NE 2.8Å; E77-R104 IonicContact OE1-NH2 2.85Å; E77-R104 PolarHBondContact OE1-NH2 2.79Å; E77-R104 IonicContact OE2-NH2 3.08Å; E77-A261 VanDerWaalsContact OE2-CB 3.22Å; E77-A261 WeakPolarHBondContact OE2-CB 3.47Å; E77-R285 IonicContact OE1-CZ 2.84Å; E77-R285 IonicContact OE1-NH1 3.93Å; E77-R285 PolarHBondContact OE1-NH1 2.78Å; E77-R285 IonicContact OE2-NH1 3.59Å; E77-R285 PolarHBondContact OE2-NH1 3.27Å |
| 78 | I | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.8 | 170.7 | -61 | 164.2 | 0 | 0 | 0 | 107.6 | G57 L59 L82 L100 L102 I103 R104 | G57-I78 WeakPolarHBondContact O-CG2 3.31Å; L59-I78 HydrophobicContact CB-CD1 3.98Å; L59-I78 HydrophobicContact CB-CG1 4.47Å; L59-I78 HydrophobicContact CD2-CD1 3.88Å; I78-L82 HydrophobicContact CD1-CB 4.47Å; I78-L82 HydrophobicContact CD1-CD1 4.44Å; I78-L100 HydrophobicContact CD1-CD1 3.79Å; I78-L100 HydrophobicContact CD1-CD2 3.77Å; I78-L100 HydrophobicContact CD1-CG 4.47Å; I78-L100 HydrophobicContact CG1-CD1 3.9Å; I78-L102 PolarHBondContact N-O 3.46Å; I78-L102 VanDerWaalsContact N-O 3.12Å; I78-I103 CarbonylContact O-C 3.55Å; I78-I103 WeakPolarHBondContact O-CA 3.14Å; I78-R104 PolarHBondContact O-N 3.4Å |
| 79 | T | 91.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -83.7 | -30.6 | -179.3 | 71 | 0 | 0 | 0 | 0 | 113.5 | I55 E56 G57 R104 G105 Q106 | I55-T79 PolarHBondContact O-N 2.91Å; E56-T79 WeakPolarHBondContact CA-OG1 3.43Å; E56-T79 HydrophobicContact CG-CG2 4.01Å; G57-T79 PolarHBondContact N-OG1 2.89Å; T79-R104 WeakPolarHBondContact O-CB 3.45Å; T79-G105 PolarHBondContact O-N 3.16Å; T79-Q106 VanDerWaalsContact O-CB 3.32Å; T79-Q106 WeakPolarHBondContact O-CB 3.42Å; T79-Q106 WeakPolarHBondContact O-CG 2.93Å; T79-Q106 PolarHBondContact O-N 2.98Å |
| 80 | G | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -89 | -137 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G57 I103 G105 T107 | G57-G80 WeakPolarHBondContact O-CA 3.36Å; G57-G80 PolarHBondContact O-N 3.21Å; G80-I103 WeakPolarHBondContact O-CG2 3.5Å; G80-G105 WeakPolarHBondContact O-CA 3.16Å; G80-G105 PolarHBondContact O-N 2.84Å; G80-G105 VanDerWaalsContact O-N 3.17Å; G80-T107 CarbonylContact C-O 3Å; G80-T107 WeakPolarHBondContact CA-OG1 3.5Å |
| 81 | S | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -104.1 | 159.9 | 178.7 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | D58 L59 T107 V109 A113 | D58-S81 CarbonylContact C-O 3.59Å; D58-S81 VanDerWaalsContact CA-O 3.3Å; D58-S81 WeakPolarHBondContact CA-O 3.29Å; D58-S81 WeakPolarHBondContact CB-O 3.48Å; D58-S81 PolarHBondContact OD1-N 3.19Å; D58-S81 PolarHBondContact OD1-OG 3.39Å; L59-S81 PolarHBondContact N-O 2.86Å; S81-T107 WeakPolarHBondContact CB-O 3.26Å; S81-T107 PolarHBondContact N-O 3.21Å; S81-V109 WeakPolarHBondContact OG-CG2 3.49Å; S81-A113 CarbonylContact C-O 3.58Å; S81-A113 VanDerWaalsContact CA-O 3.32Å; S81-A113 WeakPolarHBondContact CA-O 3.46Å | ||
| 82 | L | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.8 | 170.2 | 175.2 | 60.8 | 0 | 0 | 0 | 109.9 | L59 I78 V84 L97 L100 I103 A113 V114 V115 L126 | L59-L82 HydrophobicContact CB-CD1 4.24Å; L59-L82 HydrophobicContact CD2-CD1 4Å; L59-L82 HydrophobicContact CG-CD1 4Å; L59-L82 WeakPolarHBondContact O-CA 3.35Å; I78-L82 HydrophobicContact CD1-CB 4.47Å; I78-L82 HydrophobicContact CD1-CD1 4.44Å; L82-V84 HydrophobicContact CD1-CG2 4.23Å; L82-V84 HydrophobicContact CG-CG2 4.38Å; L82-L97 HydrophobicContact CD1-CD1 4.28Å; L82-L97 HydrophobicContact CD2-CD1 4.31Å; L82-L100 HydrophobicContact CD2-CD2 4.19Å; L82-I103 HydrophobicContact CB-CD1 4.17Å; L82-I103 HydrophobicContact CD2-CD1 4.13Å; L82-A113 PolarHBondContact N-O 2.85Å; L82-V114 WeakPolarHBondContact O-CA 3.21Å; L82-V115 PolarHBondContact O-N 3.09Å; L82-L126 HydrophobicContact CD2-CD1 4.42Å |
| 83 | L | 93.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121 | 173.5 | 175.8 | 63.6 | 0 | 0 | 0 | 110 | L59 F60 V61 V62 V115 | L59-L83 PolarHBondContact O-N 3.42Å; F60-L83 HydrophobicContact CD1-CB 3.57Å; F60-L83 HydrophobicContact CD1-CD2 4.22Å; F60-L83 HydrophobicContact CE1-CB 4.05Å; F60-L83 HydrophobicContact CE1-CD2 4.46Å; F60-L83 HydrophobicContact CG-CB 4.33Å; F60-L83 HydrophobicContact CG-CD2 4.41Å; V61-L83 PolarHBondContact N-O 3.27Å; V62-L83 HydrophobicContact CG2-CD2 4Å; V62-L83 HydrophobicContact CG2-CG 4.22Å; L83-V115 WeakPolarHBondContact CA-O 3.37Å; L83-V115 HydrophobicContact CD1-CB 3.73Å; L83-V115 HydrophobicContact CD1-CG1 3.68Å |
| 84 | V | 91 | Very high | 86.5 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.5 | 171 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V61 L82 V87 L93 V115 I116 K117 | V61-V84 WeakPolarHBondContact O-CA 3.21Å; L82-V84 HydrophobicContact CD1-CG2 4.23Å; L82-V84 HydrophobicContact CG-CG2 4.38Å; V84-V87 HydrophobicContact CG1-CB 4.33Å; V84-V87 HydrophobicContact CG1-CG2 3.97Å; V84-L93 HydrophobicContact CG1-CD1 4.36Å; V84-L93 HydrophobicContact CG2-CD1 4.31Å; V84-L93 HydrophobicContact CG2-CD2 4.04Å; V84-V115 PolarHBondContact N-O 3.14Å; V84-I116 HydrophobicContact CB-CG1 4.41Å; V84-K117 PolarHBondContact O-N 2.98Å |
| 85 | Y | 89 | Confident | 86.4 | Confident | 72 Ų | 72 | 23.5 Ų | 23.5 | 28% | 0.282 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 114.4 | -174.3 | -166.5 | -73.6 | 0 | 0 | 0 | 111.7 | V61 V62 F63 K117 | V61-Y85 PolarHBondContact O-N 2.73Å; V62-Y85 VanDerWaalsContact CA-O 3.32Å; V62-Y85 WeakPolarHBondContact CA-O 3.3Å; F63-Y85 HydrophobicContact CD1-CD1 4.31Å; F63-Y85 HydrophobicContact CD1-CE1 4.48Å; F63-Y85 AromaticContact CE1-CD1 3.68Å; F63-Y85 HydrophobicContact CE1-CD1 3.68Å; F63-Y85 AromaticContact CE1-CE1 3.48Å; F63-Y85 HydrophobicContact CE1-CE1 3.48Å; F63-Y85 VanDerWaalsContact CE1-CE1 3.48Å; F63-Y85 AromaticContact CZ-CD1 3.79Å; F63-Y85 HydrophobicContact CZ-CD1 3.79Å; F63-Y85 AromaticContact CZ-CE1 3.55Å; F63-Y85 HydrophobicContact CZ-CE1 3.55Å; F63-Y85 PolarHBondContact N-O 3.4Å; Y85-K117 CarbonylContact C-O 3.57Å; Y85-K117 VanDerWaalsContact CA-O 3.32Å; Y85-K117 WeakPolarHBondContact CA-O 3.44Å; Y85-K117 HydrophobicContact CD2-CB 4.33Å; Y85-K117 HydrophobicContact CD2-CD 4.36Å; Y85-K117 HydrophobicContact CE2-CD 3.74Å; Y85-K117 HydrophobicContact CE2-CG 4.48Å; Y85-K117 PolarHBondContact OH-NZ 3.3Å |
| 86 | D | 79.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 23.4 Ų | 23.4 | 31% | 0.31 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 63.5 | 174.5 | -149.6 | 29 | 0 | 0 | 0 | 112.3 | F63 K117 | F63-D86 WeakPolarHBondContact CA-O 3.03Å; F63-D86 HydrophobicContact CD1-CB 3.88Å; F63-D86 HydrophobicContact CE1-CB 4.01Å; F63-D86 PolarHBondContact N-O 3.08Å; D86-K117 PolarHBondContact N-O 3.07Å |
| 87 | V | 75.5 | Confident | 86.2 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.3 | -173.8 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V61 T64 I66 V84 S118 S120 | V61-V87 HydrophobicContact CB-CG2 4.21Å; V61-V87 HydrophobicContact CG1-CG1 4.12Å; V61-V87 HydrophobicContact CG1-CG2 3.79Å; V61-V87 WeakPolarHBondContact O-CG2 3.42Å; T64-V87 HydrophobicContact CG2-CG1 4.28Å; T64-V87 HydrophobicContact CG2-CG2 4.33Å; I66-V87 HydrophobicContact CD1-CG1 4.05Å; I66-V87 HydrophobicContact CG1-CG1 4.4Å; V84-V87 HydrophobicContact CG1-CB 4.33Å; V84-V87 HydrophobicContact CG1-CG2 3.97Å; V87-S118 PolarHBondContact N-OG 2.88Å; V87-S118 VanDerWaalsContact N-OG 3.14Å; V87-S118 PolarHBondContact O-OG 3.41Å; V87-S120 PolarHBondContact O-OG 2.86Å; V87-S120 VanDerWaalsContact O-OG 3.07Å |
| 88 | E | 76.4 | Confident | 86 | Confident | 84 Ų | 84 | 22.1 Ų | 22.1 | 39% | 0.393 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 148.1 | 172.2 | -74.2 | -173.9 | -155.3 | 0 | 0 | 110.7 | T64 R65 I66 | T64-E88 PolarHBondContact O-N 3.38Å; T64-E88 VanDerWaalsContact O-N 3.09Å; R65-E88 CarbonylContact C-O 3.43Å; R65-E88 WeakPolarHBondContact CA-O 3.16Å; R65-E88 HydrophobicContact CG-CB 3.88Å; R65-E88 IonicContact CZ-OE1 2.79Å; R65-E88 IonicContact CZ-OE2 3.19Å; R65-E88 IonicContact NE-OE1 3.63Å; R65-E88 IonicContact NE-OE2 3.43Å; R65-E88 PolarHBondContact NE-OE2 3.45Å; R65-E88 IonicContact NH2-OE1 3.26Å; R65-E88 PolarHBondContact NH2-OE1 3.36Å; R65-E88 VanDerWaalsContact NH2-OE1 3.08Å; R65-E88 IonicContact NH2-OE2 3.99Å; R65-E88 PolarHBondContact NH2-OE2 3.13Å; I66-E88 PolarHBondContact N-O 3.28Å |
| 89 | G | 71.9 | Confident | 86 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 126.7 | -83 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I66 R68 D91 | I66-G89 VanDerWaalsContact O-CA 3.3Å; I66-G89 WeakPolarHBondContact O-CA 3.44Å; R68-G89 PolarHBondContact NH1-O 2.81Å; G89-D91 PolarHBondContact O-N 3.34Å |
| 90 | P | 72.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | trans | -67.5 | 115.1 | 175.9 | 27.4 | -33.4 | 0 | 0 | 0 | 110.7 | I66 D92 | I66-P90 HydrophobicContact CB-CG 4.46Å; I66-P90 HydrophobicContact CG2-CG 4.38Å; P90-D92 PolarHBondContact O-N 2.75Å | ||
| 91 | D | 79.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 25.7 Ų | 25.7 | 25% | 0.246 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -64.6 | -19.4 | 171.3 | -75.5 | 31.2 | 0 | 0 | 0 | 112.1 | R68 G89 K122 N123 | R68-D91 IonicContact CZ-OD1 3.41Å; R68-D91 IonicContact NH1-OD1 2.73Å; R68-D91 PolarHBondContact NH1-OD1 2.86Å; R68-D91 IonicContact NH1-OD2 2.76Å; R68-D91 IonicContact NH2-OD1 3.21Å; R68-D91 PolarHBondContact NH2-OD1 3.48Å; R68-D91 VanDerWaalsContact NH2-OD1 3.08Å; G89-D91 PolarHBondContact O-N 3.34Å; D91-K122 HydrophobicContact CB-CD 4.14Å; D91-K122 HydrophobicContact CB-CG 4.48Å; D91-K122 WeakPolarHBondContact O-CA 3.38Å; D91-K122 WeakPolarHBondContact O-CB 3.44Å; D91-K122 PolarHBondContact O-N 3.48Å; D91-K122 VanDerWaalsContact OD2-CE 3.31Å; D91-K122 WeakPolarHBondContact OD2-CE 3.32Å; D91-K122 IonicContact OD2-NZ 2.77Å; D91-K122 PolarHBondContact OD2-NZ 3.01Å; D91-N123 PolarHBondContact O-N 3.43Å |
| 92 | D | 84 | Confident | 86.3 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -148.2 | 132.1 | -173.3 | -176.3 | -40.1 | 0 | 0 | 0 | 108.7 | P90 S94 N95 N123 G125 | P90-D92 PolarHBondContact O-N 2.75Å; D92-S94 PolarHBondContact O-N 3.5Å; D92-S94 WeakPolarHBondContact OD1-CB 3.43Å; D92-S94 PolarHBondContact OD1-N 3.3Å; D92-S94 PolarHBondContact OD1-OG 3.01Å; D92-N95 PolarHBondContact O-N 3.1Å; D92-N95 PolarHBondContact O-ND2 3.02Å; D92-N123 HydrophobicContact CB-CB 4.45Å; D92-N123 WeakPolarHBondContact OD2-CB 3.47Å; D92-N123 PolarHBondContact OD2-ND2 3.04Å; D92-G125 WeakPolarHBondContact OD1-CA 3.19Å |
| 93 | L | 87.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.6 | -173.4 | -142.7 | 71.2 | 0 | 0 | 0 | 113.3 | V84 N95 L96 L97 L121 I124 L126 | V84-L93 HydrophobicContact CG1-CD1 4.36Å; V84-L93 HydrophobicContact CG2-CD1 4.31Å; V84-L93 HydrophobicContact CG2-CD2 4.04Å; L93-N95 PolarHBondContact O-N 3.5Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L93-L97 HydrophobicContact CD2-CD1 4.03Å; L93-L97 HydrophobicContact CG-CD1 4.24Å; L93-L97 PolarHBondContact O-N 3.14Å; L93-L121 HydrophobicContact CB-CD1 4.44Å; L93-L121 HydrophobicContact CD1-CD1 4.27Å; L93-I124 WeakPolarHBondContact CB-O 3.4Å; L93-L126 HydrophobicContact CB-CD2 4.31Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å; L93-L126 HydrophobicContact CD2-CD2 4.2Å; L93-L126 HydrophobicContact CD2-CG 4.37Å; L93-L126 HydrophobicContact CG-CD2 4.48Å |
| 94 | S | 86.4 | Confident | 86.2 | Confident | 23 Ų | 23 | 24.6 Ų | 24.6 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -37.7 | 170.4 | 57 | 0 | 0 | 0 | 0 | 112.9 | D92 L96 P98 G125 | D92-S94 PolarHBondContact O-N 3.5Å; D92-S94 WeakPolarHBondContact OD1-CB 3.43Å; D92-S94 PolarHBondContact OD1-N 3.3Å; D92-S94 PolarHBondContact OD1-OG 3.01Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 2.85Å; S94-P98 VanDerWaalsContact O-CA 3.24Å; S94-P98 WeakPolarHBondContact O-CA 3.39Å; S94-P98 VanDerWaalsContact O-CB 3.26Å; S94-P98 WeakPolarHBondContact O-CB 3.06Å; S94-P98 VanDerWaalsContact O-CD 3.24Å; S94-P98 WeakPolarHBondContact O-CD 3.15Å; S94-G125 VanDerWaalsContact CB-O 3.29Å; S94-G125 WeakPolarHBondContact CB-O 3.36Å |
| 95 | N | 86.9 | Confident | 86 | Confident | 73 Ų | 73 | 24.5 Ų | 24.5 | 39% | 0.39 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -41.9 | 179.1 | -60.5 | -76 | 0 | 0 | 0 | 110.9 | S71 D92 L93 | S71-N95 VanDerWaalsContact CA-O 3.32Å; S71-N95 WeakPolarHBondContact CA-O 3.22Å; S71-N95 WeakPolarHBondContact CB-O 3.36Å; S71-N95 PolarHBondContact OG-O 3.38Å; D92-N95 PolarHBondContact O-N 3.1Å; D92-N95 PolarHBondContact O-ND2 3.02Å; L93-N95 PolarHBondContact O-N 3.5Å |
| 96 | L | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -40.2 | -176.3 | -174.8 | 60.8 | 0 | 0 | 0 | 112.7 | L46 V61 I66 L72 L93 S94 P98 | L46-L96 HydrophobicContact CD2-CD1 3.78Å; V61-L96 HydrophobicContact CG1-CD2 4.36Å; I66-L96 HydrophobicContact CD1-CD2 3.94Å; I66-L96 HydrophobicContact CG2-CD1 4.33Å; L72-L96 WeakPolarHBondContact CB-O 3.28Å; L72-L96 HydrophobicContact CG-CD1 4.39Å; L72-L96 PolarHBondContact N-O 3.33Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-L96 VanDerWaalsContact O-N 3.12Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 2.85Å; L96-P98 VanDerWaalsContact C-CD 3.48Å |
| 97 | L | 92.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -130 | 49.8 | -168.5 | -55.2 | 176.5 | 0 | 0 | 0 | 113 | L59 L72 L75 L82 L93 N99 L100 L126 | L59-L97 HydrophobicContact CD2-CD1 4.38Å; L59-L97 HydrophobicContact CD2-CD2 3.95Å; L72-L97 HydrophobicContact CD1-CD2 4.12Å; L75-L97 HydrophobicContact CD2-CD2 4Å; L82-L97 HydrophobicContact CD1-CD1 4.28Å; L82-L97 HydrophobicContact CD2-CD1 4.31Å; L93-L97 HydrophobicContact CD2-CD1 4.03Å; L93-L97 HydrophobicContact CG-CD1 4.24Å; L93-L97 PolarHBondContact O-N 3.14Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.38Å; L97-L100 HydrophobicContact CB-CB 4.24Å; L97-L100 HydrophobicContact CB-CD2 4.43Å; L97-L100 HydrophobicContact CD1-CD2 4.1Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-L126 HydrophobicContact CB-CD2 3.82Å; L97-L126 HydrophobicContact CD1-CD2 4.46Å |
| 98 | P | 90.8 | Very high | 86.1 | Confident | 23 Ų | 23 | 27.4 Ų | 27.4 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -33.2 | -164.5 | 23.7 | -34.3 | 0 | 0 | 0 | 114.7 | S94 L96 F127 S128 | S94-P98 VanDerWaalsContact O-CA 3.24Å; S94-P98 WeakPolarHBondContact O-CA 3.39Å; S94-P98 VanDerWaalsContact O-CB 3.26Å; S94-P98 WeakPolarHBondContact O-CB 3.06Å; S94-P98 VanDerWaalsContact O-CD 3.24Å; S94-P98 WeakPolarHBondContact O-CD 3.15Å; L96-P98 VanDerWaalsContact C-CD 3.48Å; P98-F127 HydrophobicContact CB-CZ 4.44Å; P98-S128 WeakPolarHBondContact O-CB 3.41Å; P98-S128 PolarHBondContact O-OG 2.62Å |
| 99 | N | 92.4 | Very high | 86.1 | Confident | 75 Ų | 75 | 24.6 Ų | 24.6 | 40% | 0.401 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 7 | -173.4 | -72.6 | -44.6 | 0 | 0 | 0 | 113.9 | P73 L75 R76 L97 T101 | P73-N99 PolarHBondContact O-ND2 2.76Å; L75-N99 CarbonylContact O-C 3.58Å; L75-N99 VanDerWaalsContact O-C 3.23Å; R76-N99 WeakPolarHBondContact CA-O 3.42Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.38Å; N99-T101 PolarHBondContact O-N 3.21Å; N99-T101 PolarHBondContact O-OG1 3.34Å |
| 100 | L | 94.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -63 | 109.6 | -180 | 178.1 | 58.7 | 0 | 0 | 0 | 110.2 | L75 I78 L82 L97 I103 L126 S128 L129 | L75-L100 WeakPolarHBondContact O-CA 3.49Å; L75-L100 PolarHBondContact O-N 3.04Å; I78-L100 HydrophobicContact CD1-CD1 3.79Å; I78-L100 HydrophobicContact CD1-CD2 3.77Å; I78-L100 HydrophobicContact CD1-CG 4.47Å; I78-L100 HydrophobicContact CG1-CD1 3.9Å; L82-L100 HydrophobicContact CD2-CD2 4.19Å; L97-L100 HydrophobicContact CB-CB 4.24Å; L97-L100 HydrophobicContact CB-CD2 4.43Å; L97-L100 HydrophobicContact CD1-CD2 4.1Å; L97-L100 PolarHBondContact O-N 2.93Å; L100-I103 HydrophobicContact CD1-CG1 4.38Å; L100-I103 HydrophobicContact CD2-CD1 4.26Å; L100-I103 HydrophobicContact CD2-CG1 4.44Å; L100-L126 HydrophobicContact CD2-CD1 4.44Å; L100-S128 CarbonylContact O-C 3.5Å; L100-S128 WeakPolarHBondContact O-CB 3.34Å; L100-L129 WeakPolarHBondContact O-CA 3.48Å; L100-L129 PolarHBondContact O-N 3.3Å; L100-L129 VanDerWaalsContact O-N 3.15Å | ||
| 101 | T | 93.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | trans | -106.7 | -29.1 | -171 | -27.4 | 0 | 0 | 0 | 0 | 113.6 | R76 N99 S128 R130 V131 M236 A249 V260 | R76-T101 PolarHBondContact O-N 3.2Å; N99-T101 PolarHBondContact O-N 3.21Å; N99-T101 PolarHBondContact O-OG1 3.34Å; T101-S128 WeakPolarHBondContact CA-O 3.45Å; T101-S128 WeakPolarHBondContact CG2-O 3.32Å; T101-R130 PolarHBondContact O-N 3Å; T101-V131 PolarHBondContact O-N 2.93Å; T101-M236 HydrophobicContact CG2-CE 3.92Å; T101-M236 HydrophobicContact CG2-SD 4.2Å; T101-A249 HydrophobicContact CG2-CB 3.78Å; T101-V260 HydrophobicContact CG2-CG1 4.05Å | ||
| 102 | L | 92.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.1 | -172.5 | 172.4 | 62.9 | 0 | 0 | 0 | 111.7 | R76 E77 I78 R104 V131 L248 A249 A261 | R76-L102 PolarHBondContact O-N 3.25Å; E77-L102 WeakPolarHBondContact CA-O 2.91Å; E77-L102 HydrophobicContact CG-CB 4.23Å; E77-L102 HydrophobicContact CG-CD2 3.92Å; E77-L102 HydrophobicContact CG-CG 4.07Å; I78-L102 PolarHBondContact N-O 3.46Å; I78-L102 VanDerWaalsContact N-O 3.12Å; L102-R104 HydrophobicContact CD1-CG 4.39Å; L102-R104 HydrophobicContact CD2-CG 4.19Å; L102-R104 HydrophobicContact CG-CG 4.17Å; L102-V131 HydrophobicContact CD1-CB 3.79Å; L102-V131 HydrophobicContact CD1-CG1 3.72Å; L102-L248 HydrophobicContact CD1-CD2 3.97Å; L102-L248 HydrophobicContact CD1-CG 4.31Å; L102-L248 HydrophobicContact CD2-CD2 3.73Å; L102-L248 HydrophobicContact CD2-CG 4.2Å; L102-A249 HydrophobicContact CB-CB 4.2Å; L102-A261 HydrophobicContact CD2-CB 3.46Å; L102-A261 VanDerWaalsContact CD2-CB 3.46Å |
| 103 | I | 94 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.8 | 166.2 | -58 | 174.9 | 0 | 0 | 0 | 107.8 | I78 G80 L82 L100 A113 V114 L129 V131 I132 Q133 | I78-I103 CarbonylContact O-C 3.55Å; I78-I103 WeakPolarHBondContact O-CA 3.14Å; G80-I103 WeakPolarHBondContact O-CG2 3.5Å; L82-I103 HydrophobicContact CB-CD1 4.17Å; L82-I103 HydrophobicContact CD2-CD1 4.13Å; L100-I103 HydrophobicContact CD1-CG1 4.38Å; L100-I103 HydrophobicContact CD2-CD1 4.26Å; L100-I103 HydrophobicContact CD2-CG1 4.44Å; I103-A113 HydrophobicContact CG2-CB 4.33Å; I103-V114 HydrophobicContact CD1-CG2 3.54Å; I103-L129 HydrophobicContact CD1-CD1 4.35Å; I103-L129 HydrophobicContact CD1-CD2 4.47Å; I103-L129 HydrophobicContact CG1-CD1 4.19Å; I103-V131 PolarHBondContact N-O 2.78Å; I103-V131 VanDerWaalsContact N-O 3.14Å; I103-I132 HydrophobicContact CB-CG1 4.41Å; I103-I132 CarbonylContact O-C 3.51Å; I103-I132 WeakPolarHBondContact O-CA 3.08Å; I103-Q133 PolarHBondContact O-N 3.28Å |
| 104 | R | 91 | Very high | 87.2 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | trans | -89.6 | -25.2 | -175.6 | -58.7 | -166.7 | -178.5 | -105.1 | 5.2 | 115.2 | E77 I78 T79 L102 Q106 Q133 Q134 C262 | E77-R104 IonicContact OE1-CZ 3.2Å; E77-R104 IonicContact OE1-NE 2.73Å; E77-R104 PolarHBondContact OE1-NE 2.8Å; E77-R104 IonicContact OE1-NH2 2.85Å; E77-R104 PolarHBondContact OE1-NH2 2.79Å; E77-R104 IonicContact OE2-NH2 3.08Å; I78-R104 PolarHBondContact O-N 3.4Å; T79-R104 WeakPolarHBondContact O-CB 3.45Å; L102-R104 HydrophobicContact CD1-CG 4.39Å; L102-R104 HydrophobicContact CD2-CG 4.19Å; L102-R104 HydrophobicContact CG-CG 4.17Å; R104-Q106 VanDerWaalsContact C-N 3.33Å; R104-Q106 HydrophobicContact CB-CG 4.09Å; R104-Q106 PolarHBondContact O-N 3.07Å; R104-Q133 HydrophobicContact CB-CB 4.4Å; R104-Q134 WeakPolarHBondContact O-CB 3.43Å; R104-Q134 PolarHBondContact O-N 3.05Å; R104-C262 PolarHBondContact NH1-O 3.23Å; R104-C262 PolarHBondContact NH2-O 2.84Å | ||
| 105 | G | 86.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | 68.1 | 26.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | T79 G80 T107 L108 | T79-G105 PolarHBondContact O-N 3.16Å; G80-G105 WeakPolarHBondContact O-CA 3.16Å; G80-G105 PolarHBondContact O-N 2.84Å; G80-G105 VanDerWaalsContact O-N 3.17Å; G105-T107 PolarHBondContact O-N 3.47Å; G105-L108 VanDerWaalsContact O-CD2 3.23Å; G105-L108 WeakPolarHBondContact O-CD2 3.45Å; G105-L108 WeakPolarHBondContact O-CG 3.34Å | ||
| 106 | Q | 83 | Confident | 87.7 | Confident | 64 Ų | 64 | 28.2 Ų | 28.2 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -65.8 | -24.3 | 178.3 | -62.8 | 176.2 | -4.6 | 0 | 0 | 112.5 | T79 R104 L283 | T79-Q106 VanDerWaalsContact O-CB 3.32Å; T79-Q106 WeakPolarHBondContact O-CB 3.42Å; T79-Q106 WeakPolarHBondContact O-CG 2.93Å; T79-Q106 PolarHBondContact O-N 2.98Å; R104-Q106 VanDerWaalsContact C-N 3.33Å; R104-Q106 HydrophobicContact CB-CG 4.09Å; R104-Q106 PolarHBondContact O-N 3.07Å; Q106-L283 PolarHBondContact NE2-O 3.3Å |
| 107 | T | 81.1 | Confident | 87.8 | Confident | 66 Ų | 66 | 29.6 Ų | 29.6 | 41% | 0.405 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -120.1 | 139.7 | 164 | 44.4 | 0 | 0 | 0 | 0 | 108.1 | D58 G80 S81 G105 | D58-T107 PolarHBondContact OD1-OG1 3.09Å; G80-T107 CarbonylContact C-O 3Å; G80-T107 WeakPolarHBondContact CA-OG1 3.5Å; S81-T107 WeakPolarHBondContact CB-O 3.26Å; S81-T107 PolarHBondContact N-O 3.21Å; G105-T107 PolarHBondContact O-N 3.47Å |
| 108 | L | 82.5 | Confident | 87.4 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | trans | -126.6 | 139.5 | -173.6 | -61.9 | 178.9 | 0 | 0 | 0 | 111.5 | G105 A113 | G105-L108 VanDerWaalsContact O-CD2 3.23Å; G105-L108 WeakPolarHBondContact O-CD2 3.45Å; G105-L108 WeakPolarHBondContact O-CG 3.34Å; L108-A113 HydrophobicContact CD2-CB 3.78Å | ||
| 109 | V | 75.7 | Confident | 86.8 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -97.7 | 103.8 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 108.3 | F60 S81 G111 Y112 V115 | F60-V109 HydrophobicContact CE1-CG2 4.15Å; F60-V109 HydrophobicContact CZ-CG2 4.39Å; S81-V109 WeakPolarHBondContact OG-CG2 3.49Å; V109-G111 PolarHBondContact O-N 3.48Å; V109-Y112 PolarHBondContact N-O 3.3Å; V109-Y112 PolarHBondContact O-N 3.37Å; V109-V115 HydrophobicContact CB-CG2 4.15Å; V109-V115 HydrophobicContact CG1-CG2 4.02Å |
| 110 | F | 75.1 | Confident | 86.3 | Confident | 164 Ų | 164 | 29.8 Ų | 29.8 | 72% | 0.719 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.7 | -174.9 | -50.5 | -73.4 | 0 | 0 | 0 | 114.6 | Y112 | F110-Y112 HydrophobicContact CB-CD2 4.32Å; F110-Y112 WeakPolarHBondContact O-CD2 3.42Å; F110-Y112 WeakPolarHBondContact O-CE2 3.48Å |
| 111 | G | 74 | Confident | 85.9 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 42% | 0.423 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -6.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | V109 G136 | V109-G111 PolarHBondContact O-N 3.48Å; G111-G136 PolarHBondContact O-N 2.91Å; G111-G136 VanDerWaalsContact O-N 3.1Å |
| 112 | Y | 86.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 33.9 Ų | 33.9 | 14% | 0.137 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.9 | 179.5 | -53.4 | -84.1 | 0 | 0 | 0 | 111.1 | V109 F110 V115 G136 R138 K168 | V109-Y112 PolarHBondContact N-O 3.3Å; V109-Y112 PolarHBondContact O-N 3.37Å; F110-Y112 HydrophobicContact CB-CD2 4.32Å; F110-Y112 WeakPolarHBondContact O-CD2 3.42Å; F110-Y112 WeakPolarHBondContact O-CE2 3.48Å; Y112-V115 HydrophobicContact CG-CG2 4.47Å; Y112-G136 CarbonylContact C-O 3.59Å; Y112-G136 VanDerWaalsContact CA-O 3.32Å; Y112-G136 WeakPolarHBondContact CA-O 3.48Å; Y112-R138 HydrophobicContact CD1-CB 3.68Å; Y112-R138 HydrophobicContact CD2-CB 4.09Å; Y112-R138 HydrophobicContact CE1-CB 3.94Å; Y112-R138 HydrophobicContact CE2-CB 4.35Å; Y112-R138 HydrophobicContact CG-CB 3.75Å; Y112-K168 HydrophobicContact CE1-CB 4.27Å |
| 113 | A | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -21 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S81 L82 I103 L108 I132 Q134 G136 | S81-A113 CarbonylContact C-O 3.58Å; S81-A113 VanDerWaalsContact CA-O 3.32Å; S81-A113 WeakPolarHBondContact CA-O 3.46Å; L82-A113 PolarHBondContact N-O 2.85Å; I103-A113 HydrophobicContact CG2-CB 4.33Å; L108-A113 HydrophobicContact CD2-CB 3.78Å; A113-I132 HydrophobicContact CB-CG2 3.97Å; A113-Q134 VanDerWaalsContact CB-O 3.23Å; A113-Q134 WeakPolarHBondContact CB-O 3.43Å; A113-G136 PolarHBondContact N-O 3.35Å |
| 114 | V | 93.4 | Very high | 84.9 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.2 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | L82 I103 I116 I132 G136 V137 R138 | L82-V114 WeakPolarHBondContact O-CA 3.21Å; I103-V114 HydrophobicContact CD1-CG2 3.54Å; V114-I116 HydrophobicContact CG1-CD1 4Å; V114-I116 HydrophobicContact CG1-CG1 3.97Å; V114-I132 HydrophobicContact CG2-CD1 3.81Å; V114-G136 PolarHBondContact N-O 3.24Å; V114-V137 HydrophobicContact CB-CG1 4.32Å; V114-V137 HydrophobicContact CB-CG2 4.28Å; V114-V137 HydrophobicContact CG1-CG1 4.42Å; V114-R138 PolarHBondContact O-N 3.46Å |
| 115 | V | 92.4 | Very high | 84.6 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 11% | 0.109 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 117.6 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | L82 L83 V84 V109 Y112 R138 | L82-V115 PolarHBondContact O-N 3.09Å; L83-V115 WeakPolarHBondContact CA-O 3.37Å; L83-V115 HydrophobicContact CD1-CB 3.73Å; L83-V115 HydrophobicContact CD1-CG1 3.68Å; V84-V115 PolarHBondContact N-O 3.14Å; V109-V115 HydrophobicContact CB-CG2 4.15Å; V109-V115 HydrophobicContact CG1-CG2 4.02Å; Y112-V115 HydrophobicContact CG-CG2 4.47Å; V115-R138 CarbonylContact C-O 3.54Å; V115-R138 WeakPolarHBondContact CA-O 3.19Å; V115-R138 HydrophobicContact CG2-CB 4.41Å |
| 116 | I | 92.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.2 | -178.3 | -57.4 | 176 | 0 | 0 | 0 | 110 | V84 V114 L121 I124 R138 I139 D140 N142 | V84-I116 HydrophobicContact CB-CG1 4.41Å; V114-I116 HydrophobicContact CG1-CD1 4Å; V114-I116 HydrophobicContact CG1-CG1 3.97Å; I116-L121 HydrophobicContact CG2-CD2 3.89Å; I116-I124 HydrophobicContact CD1-CD1 4.35Å; I116-I124 HydrophobicContact CD1-CG1 4.37Å; I116-I124 HydrophobicContact CD1-CG2 4.12Å; I116-R138 PolarHBondContact N-O 2.89Å; I116-I139 HydrophobicContact CB-CG1 4.37Å; I116-I139 HydrophobicContact CD1-CG1 4.45Å; I116-D140 PolarHBondContact O-N 3.44Å; I116-N142 PolarHBondContact O-ND2 3.17Å |
| 117 | K | 89.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 91.3 | 171.1 | 178.8 | -178 | 169.7 | -154.5 | 0 | 109.6 | V84 Y85 D86 D140 N142 Y1146 | V84-K117 PolarHBondContact O-N 2.98Å; Y85-K117 CarbonylContact C-O 3.57Å; Y85-K117 VanDerWaalsContact CA-O 3.32Å; Y85-K117 WeakPolarHBondContact CA-O 3.44Å; Y85-K117 HydrophobicContact CD2-CB 4.33Å; Y85-K117 HydrophobicContact CD2-CD 4.36Å; Y85-K117 HydrophobicContact CE2-CD 3.74Å; Y85-K117 HydrophobicContact CE2-CG 4.48Å; Y85-K117 PolarHBondContact OH-NZ 3.3Å; D86-K117 PolarHBondContact N-O 3.07Å; K117-D140 WeakPolarHBondContact CB-O 2.99Å; K117-D140 VanDerWaalsContact CG-O 3.31Å; K117-D140 WeakPolarHBondContact CG-O 2.86Å; K117-N142 VanDerWaalsContact CA-OD1 3.25Å; K117-N142 WeakPolarHBondContact CA-OD1 3.38Å; K117-Y1146 PolarHBondContact NZ-O 2.87Å |
| 118 | S | 84.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -134.3 | 143.3 | 171.6 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | V87 N142 | V87-S118 PolarHBondContact N-OG 2.88Å; V87-S118 VanDerWaalsContact N-OG 3.14Å; V87-S118 PolarHBondContact O-OG 3.41Å; S118-N142 PolarHBondContact N-OD1 3.34Å; S118-N142 WeakPolarHBondContact O-CA 3.48Å; S118-N142 PolarHBondContact O-OD1 3.29Å | ||
| 119 | T | 79.4 | Confident | 86 | Confident | 73 Ų | 73 | 29.7 Ų | 29.7 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -80.7 | -22.1 | -175.7 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 120 | S | 82.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -108.2 | -1.4 | -174.4 | 56.7 | 0 | 0 | 0 | 0 | 115.6 | V87 | V87-S120 PolarHBondContact O-OG 2.86Å; V87-S120 VanDerWaalsContact O-OG 3.07Å |
| 121 | L | 85.2 | Confident | 87.5 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -79.7 | 128.2 | -179.4 | -167.3 | 72.5 | 0 | 0 | 0 | 110.4 | L93 I116 N123 Q144 L145 | L93-L121 HydrophobicContact CB-CD1 4.44Å; L93-L121 HydrophobicContact CD1-CD1 4.27Å; I116-L121 HydrophobicContact CG2-CD2 3.89Å; L121-N123 WeakPolarHBondContact CG-O 3.45Å; L121-Q144 CarbonylContact O-C 3.59Å; L121-L145 HydrophobicContact CB-CD1 4.3Å; L121-L145 HydrophobicContact CD2-CD1 3.88Å; L121-L145 HydrophobicContact CG-CD1 3.87Å; L121-L145 WeakPolarHBondContact O-CA 3.47Å; L121-L145 PolarHBondContact O-N 2.93Å | ||
| 122 | K | 85.9 | Confident | 88.3 | Confident | 85 Ų | 85 | 19.8 Ų | 19.8 | 37% | 0.37 | 10% | 0.101 | S | C | . | . | trans | -102.6 | -36.9 | -175.6 | -61.1 | 179.1 | -176.1 | 165.2 | 0 | 113.7 | D91 Q144 L145 C146 | D91-K122 HydrophobicContact CB-CD 4.14Å; D91-K122 HydrophobicContact CB-CG 4.48Å; D91-K122 WeakPolarHBondContact O-CA 3.38Å; D91-K122 WeakPolarHBondContact O-CB 3.44Å; D91-K122 PolarHBondContact O-N 3.48Å; D91-K122 VanDerWaalsContact OD2-CE 3.31Å; D91-K122 WeakPolarHBondContact OD2-CE 3.32Å; D91-K122 IonicContact OD2-NZ 2.77Å; D91-K122 PolarHBondContact OD2-NZ 3.01Å; K122-Q144 WeakPolarHBondContact CA-O 3.31Å; K122-Q144 HydrophobicContact CG-CB 4.3Å; K122-L145 CarbonylContact O-C 3.51Å; K122-L145 WeakPolarHBondContact O-CA 3.45Å; K122-C146 PolarHBondContact O-N 3.36Å | ||
| 123 | N | 85.3 | Confident | 88.3 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 16% | 0.16 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -131.6 | 154.8 | 169.5 | -43.5 | -44.8 | 0 | 0 | 0 | 110.1 | D91 D92 L121 L145 Y147 | D91-N123 PolarHBondContact O-N 3.43Å; D92-N123 HydrophobicContact CB-CB 4.45Å; D92-N123 WeakPolarHBondContact OD2-CB 3.47Å; D92-N123 PolarHBondContact OD2-ND2 3.04Å; L121-N123 WeakPolarHBondContact CG-O 3.45Å; N123-L145 VanDerWaalsContact C-CD1 3.5Å; N123-Y147 WeakPolarHBondContact OD1-CD2 3.45Å |
| 124 | I | 87.9 | Confident | 88 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | trans | -74.8 | -43.6 | 167.9 | -57.7 | 177.5 | 0 | 0 | 0 | 109.7 | L93 I116 L126 I139 L145 V148 I151 W153 W214 | L93-I124 WeakPolarHBondContact CB-O 3.4Å; I116-I124 HydrophobicContact CD1-CD1 4.35Å; I116-I124 HydrophobicContact CD1-CG1 4.37Å; I116-I124 HydrophobicContact CD1-CG2 4.12Å; I124-L126 HydrophobicContact CG2-CB 4.43Å; I124-L126 HydrophobicContact CG2-CD1 4.19Å; I124-L126 HydrophobicContact CG2-CG 4.05Å; I124-L126 PolarHBondContact O-N 3.13Å; I124-I139 HydrophobicContact CD1-CD1 3.59Å; I124-I139 HydrophobicContact CD1-CG1 4.28Å; I124-L145 HydrophobicContact CD1-CD2 4.34Å; I124-L145 HydrophobicContact CG1-CD1 3.99Å; I124-L145 HydrophobicContact CG1-CD2 4.04Å; I124-L145 HydrophobicContact CG1-CG 4.35Å; I124-V148 HydrophobicContact CD1-CG1 4.39Å; I124-V148 HydrophobicContact CD1-CG2 4.22Å; I124-I151 HydrophobicContact CD1-CD1 4.39Å; I124-W153 HydrophobicContact CD1-CH2 4.21Å; I124-W153 HydrophobicContact CD1-CZ2 4.1Å; I124-W214 HydrophobicContact CB-CE3 4.39Å; I124-W214 HydrophobicContact CB-CZ3 4.46Å; I124-W214 HydrophobicContact CG2-CE3 4.23Å; I124-W214 HydrophobicContact CG2-CZ3 3.89Å | ||
| 125 | G | 84.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | trans | 62.2 | 8.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | D92 S94 F127 | D92-G125 WeakPolarHBondContact OD1-CA 3.19Å; S94-G125 VanDerWaalsContact CB-O 3.29Å; S94-G125 WeakPolarHBondContact CB-O 3.36Å; G125-F127 VanDerWaalsContact O-CD1 3.23Å; G125-F127 WeakPolarHBondContact O-CD1 3.25Å; G125-F127 PolarHBondContact O-N 3.21Å | ||
| 126 | L | 91.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | trans | -75 | 58.2 | 178.7 | -63.2 | -179.9 | 0 | 0 | 0 | 111.6 | L82 L93 L97 L100 I124 S128 L129 W214 | L82-L126 HydrophobicContact CD2-CD1 4.42Å; L93-L126 HydrophobicContact CB-CD2 4.31Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å; L93-L126 HydrophobicContact CD2-CD2 4.2Å; L93-L126 HydrophobicContact CD2-CG 4.37Å; L93-L126 HydrophobicContact CG-CD2 4.48Å; L97-L126 HydrophobicContact CB-CD2 3.82Å; L97-L126 HydrophobicContact CD1-CD2 4.46Å; L100-L126 HydrophobicContact CD2-CD1 4.44Å; I124-L126 HydrophobicContact CG2-CB 4.43Å; I124-L126 HydrophobicContact CG2-CD1 4.19Å; I124-L126 HydrophobicContact CG2-CG 4.05Å; I124-L126 PolarHBondContact O-N 3.13Å; L126-S128 PolarHBondContact O-N 3.34Å; L126-S128 VanDerWaalsContact O-N 3.08Å; L126-L129 HydrophobicContact CB-CB 3.96Å; L126-L129 HydrophobicContact CB-CD2 4.43Å; L126-L129 HydrophobicContact CD1-CD2 4.08Å; L126-L129 VanDerWaalsContact O-CB 3.24Å; L126-L129 WeakPolarHBondContact O-CB 3.48Å; L126-L129 PolarHBondContact O-N 3.3Å; L126-W214 HydrophobicContact CB-CE3 4.25Å; L126-W214 HydrophobicContact CB-CH2 4.3Å; L126-W214 HydrophobicContact CB-CZ3 3.94Å; L126-W214 WeakPolarHBondContact O-CZ2 3.25Å | ||
| 127 | F | 88.5 | Confident | 87 | Confident | 61 Ų | 61 | 26.3 Ų | 26.3 | 27% | 0.268 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.5 | -173.2 | 60.4 | -101.1 | 0 | 0 | 0 | 114.3 | P98 G125 W214 E218 | P98-F127 HydrophobicContact CB-CZ 4.44Å; G125-F127 VanDerWaalsContact O-CD1 3.23Å; G125-F127 WeakPolarHBondContact O-CD1 3.25Å; G125-F127 PolarHBondContact O-N 3.21Å; F127-W214 HydrophobicContact CB-CB 4.47Å; F127-W214 HydrophobicContact CB-CG 4.28Å; F127-E218 HydrophobicContact CB-CB 4.08Å; F127-E218 HydrophobicContact CD1-CG 4.18Å |
| 128 | S | 90.2 | Very high | 87.1 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20.3 | 173.5 | -67 | 0 | 0 | 0 | 0 | 113.9 | P98 L100 T101 L126 R130 | P98-S128 WeakPolarHBondContact O-CB 3.41Å; P98-S128 PolarHBondContact O-OG 2.62Å; L100-S128 CarbonylContact O-C 3.5Å; L100-S128 WeakPolarHBondContact O-CB 3.34Å; T101-S128 WeakPolarHBondContact CA-O 3.45Å; T101-S128 WeakPolarHBondContact CG2-O 3.32Å; L126-S128 PolarHBondContact O-N 3.34Å; L126-S128 VanDerWaalsContact O-N 3.08Å; S128-R130 PolarHBondContact O-N 3.4Å |
| 129 | L | 93.1 | Very high | 87.4 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | -71.3 | 121.4 | -172.9 | -176.8 | 61.3 | 0 | 0 | 0 | 110.7 | L100 I103 L126 I132 W214 | L100-L129 WeakPolarHBondContact O-CA 3.48Å; L100-L129 PolarHBondContact O-N 3.3Å; L100-L129 VanDerWaalsContact O-N 3.15Å; I103-L129 HydrophobicContact CD1-CD1 4.35Å; I103-L129 HydrophobicContact CD1-CD2 4.47Å; I103-L129 HydrophobicContact CG1-CD1 4.19Å; L126-L129 HydrophobicContact CB-CB 3.96Å; L126-L129 HydrophobicContact CB-CD2 4.43Å; L126-L129 HydrophobicContact CD1-CD2 4.08Å; L126-L129 VanDerWaalsContact O-CB 3.24Å; L126-L129 WeakPolarHBondContact O-CB 3.48Å; L126-L129 PolarHBondContact O-N 3.3Å; L129-I132 HydrophobicContact CD2-CD1 4.4Å; L129-W214 HydrophobicContact CB-CH2 4.11Å; L129-W214 HydrophobicContact CB-CZ2 4.14Å; L129-W214 HydrophobicContact CD2-CH2 4.11Å; L129-W214 HydrophobicContact CG-CH2 4.46Å | ||
| 130 | R | 90.2 | Very high | 87.6 | Confident | 20 Ų | 20 | 23 Ų | 23 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | trans | -124.9 | -20.5 | -175.2 | -72 | 174.8 | 169.3 | -163 | -3.5 | 114.5 | T101 S128 S221 C234 T235 M236 A249 | T101-R130 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact O-N 3.4Å; R130-S221 VanDerWaalsContact CZ-OG 3.24Å; R130-S221 PolarHBondContact NE-OG 3.35Å; R130-S221 PolarHBondContact NH2-OG 3.5Å; R130-C234 PolarHBondContact NH1-O 2.76Å; R130-T235 PolarHBondContact NH2-O 3.1Å; R130-T235 VanDerWaalsContact NH2-O 3.09Å; R130-M236 PolarHBondContact NH1-SD 2.77Å; R130-M236 VanDerWaalsContact NH1-SD 3.36Å; R130-A249 HydrophobicContact CB-CB 4.44Å; R130-A249 WeakPolarHBondContact CD-O 3.3Å; R130-A249 PolarHBondContact NH1-O 2.96Å | ||
| 131 | V | 90.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.3 | -178.3 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | T101 L102 I103 Q133 I156 L248 A249 | T101-V131 PolarHBondContact O-N 2.93Å; L102-V131 HydrophobicContact CD1-CB 3.79Å; L102-V131 HydrophobicContact CD1-CG1 3.72Å; I103-V131 PolarHBondContact N-O 2.78Å; I103-V131 VanDerWaalsContact N-O 3.14Å; V131-Q133 HydrophobicContact CG1-CB 4.46Å; V131-I156 WeakPolarHBondContact CA-O 3.36Å; V131-L248 HydrophobicContact CG1-CD1 4.27Å; V131-L248 HydrophobicContact CG2-CD1 4.35Å; V131-A249 HydrophobicContact CG2-CB 4.21Å |
| 132 | I | 91.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 114.6 | 160.5 | -64.6 | 170 | 0 | 0 | 0 | 107 | I103 A113 V114 L129 V137 I156 L157 | I103-I132 HydrophobicContact CB-CG1 4.41Å; I103-I132 CarbonylContact O-C 3.51Å; I103-I132 WeakPolarHBondContact O-CA 3.08Å; A113-I132 HydrophobicContact CB-CG2 3.97Å; V114-I132 HydrophobicContact CG2-CD1 3.81Å; L129-I132 HydrophobicContact CD2-CD1 4.4Å; I132-V137 HydrophobicContact CD1-CG2 3.48Å; I132-V137 VanDerWaalsContact CD1-CG2 3.48Å; I132-I156 HydrophobicContact CB-CG2 4.18Å; I132-I156 HydrophobicContact CD1-CG2 3.88Å; I132-I156 HydrophobicContact CG1-CG2 3.73Å; I132-I156 PolarHBondContact N-O 3.27Å; I132-L157 HydrophobicContact CB-CD2 3.8Å; I132-L157 HydrophobicContact CD1-CD2 4.46Å; I132-L157 HydrophobicContact CG2-CD2 3.74Å |
| 133 | Q | 86.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 22.7 Ų | 22.7 | 37% | 0.369 | 12% | 0.119 | S | C | . | . | trans | -84.6 | -27.1 | -163.7 | -152.7 | 179.2 | 0.1 | 0 | 0 | 114.2 | I103 R104 V131 | I103-Q133 PolarHBondContact O-N 3.28Å; R104-Q133 HydrophobicContact CB-CB 4.4Å; V131-Q133 HydrophobicContact CG1-CB 4.46Å | ||
| 134 | Q | 84.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 25.8 Ų | 25.8 | 50% | 0.5 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -150.9 | 147.9 | 177.5 | -175.9 | 172.8 | 1.9 | 0 | 0 | 109.9 | R104 A113 | R104-Q134 WeakPolarHBondContact O-CB 3.43Å; R104-Q134 PolarHBondContact O-N 3.05Å; A113-Q134 VanDerWaalsContact CB-O 3.23Å; A113-Q134 WeakPolarHBondContact CB-O 3.43Å |
| 135 | G | 80.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 5% | 0.052 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 80.6 | 172 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L157 Q160 | G135-L157 WeakPolarHBondContact O-CD2 2.93Å; G135-Q160 PolarHBondContact O-NE2 3.17Å |
| 136 | G | 86 | Confident | 87.8 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -178 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G111 Y112 A113 V114 S166 | G111-G136 PolarHBondContact O-N 2.91Å; G111-G136 VanDerWaalsContact O-N 3.1Å; Y112-G136 CarbonylContact C-O 3.59Å; Y112-G136 VanDerWaalsContact CA-O 3.32Å; Y112-G136 WeakPolarHBondContact CA-O 3.48Å; A113-G136 PolarHBondContact N-O 3.35Å; V114-G136 PolarHBondContact N-O 3.24Å; G136-S166 CarbonylContact C-O 3.55Å; G136-S166 WeakPolarHBondContact CA-O 3.43Å |
| 137 | V | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.9 | 172.1 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | V114 I132 I139 W153 L157 S166 V167 K168 | V114-V137 HydrophobicContact CB-CG1 4.32Å; V114-V137 HydrophobicContact CB-CG2 4.28Å; V114-V137 HydrophobicContact CG1-CG1 4.42Å; I132-V137 HydrophobicContact CD1-CG2 3.48Å; I132-V137 VanDerWaalsContact CD1-CG2 3.48Å; V137-I139 HydrophobicContact CG1-CD1 3.63Å; V137-I139 HydrophobicContact CG1-CG1 3.88Å; V137-W153 HydrophobicContact CB-CE3 4.4Å; V137-W153 HydrophobicContact CB-CZ3 4.43Å; V137-W153 HydrophobicContact CG1-CE3 4.2Å; V137-W153 HydrophobicContact CG1-CH2 4.08Å; V137-W153 HydrophobicContact CG1-CZ3 3.86Å; V137-W153 HydrophobicContact CG2-CE3 3.93Å; V137-W153 HydrophobicContact CG2-CZ3 3.96Å; V137-L157 HydrophobicContact CG2-CD1 4.31Å; V137-L157 HydrophobicContact CG2-CD2 4.49Å; V137-S166 PolarHBondContact N-O 2.92Å; V137-V167 HydrophobicContact CB-CG2 4.49Å; V137-V167 CarbonylContact O-C 3.58Å; V137-V167 WeakPolarHBondContact O-CA 3.42Å; V137-K168 PolarHBondContact O-N 3.12Å |
| 138 | R | 91 | Very high | 87.4 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.3 | 173.5 | -175.4 | 174.3 | -169 | 155 | 11.6 | 111.2 | Y112 V114 V115 I116 D140 K168 Y1146 | Y112-R138 HydrophobicContact CD1-CB 3.68Å; Y112-R138 HydrophobicContact CD2-CB 4.09Å; Y112-R138 HydrophobicContact CE1-CB 3.94Å; Y112-R138 HydrophobicContact CE2-CB 4.35Å; Y112-R138 HydrophobicContact CG-CB 3.75Å; V114-R138 PolarHBondContact O-N 3.46Å; V115-R138 CarbonylContact C-O 3.54Å; V115-R138 WeakPolarHBondContact CA-O 3.19Å; V115-R138 HydrophobicContact CG2-CB 4.41Å; I116-R138 PolarHBondContact N-O 2.89Å; R138-D140 HydrophobicContact CG-CB 4.12Å; R138-D140 IonicContact CZ-OD2 2.74Å; R138-D140 VanDerWaalsContact CZ-OD2 3.29Å; R138-D140 IonicContact NE-OD2 2.67Å; R138-D140 PolarHBondContact NE-OD2 3.2Å; R138-D140 IonicContact NH2-OD2 3.87Å; R138-D140 PolarHBondContact NH2-OD2 2.87Å; R138-K168 WeakPolarHBondContact CA-O 3.25Å; R138-K168 HydrophobicContact CG-CB 4.44Å; R138-Y1146 PolarHBondContact NH1-OH 3.38Å; R138-Y1146 PolarHBondContact NH2-OH 3.07Å |
| 139 | I | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 98 | 179.9 | -59.9 | 156.4 | 0 | 0 | 0 | 106.8 | I116 I124 V137 L145 V148 W153 K168 I169 V170 N172 | I116-I139 HydrophobicContact CB-CG1 4.37Å; I116-I139 HydrophobicContact CD1-CG1 4.45Å; I124-I139 HydrophobicContact CD1-CD1 3.59Å; I124-I139 HydrophobicContact CD1-CG1 4.28Å; V137-I139 HydrophobicContact CG1-CD1 3.63Å; V137-I139 HydrophobicContact CG1-CG1 3.88Å; I139-L145 HydrophobicContact CG2-CD2 3.5Å; I139-V148 HydrophobicContact CB-CG1 4.45Å; I139-V148 HydrophobicContact CD1-CG1 3.77Å; I139-V148 HydrophobicContact CG2-CG1 4.13Å; I139-V148 HydrophobicContact CG2-CG2 4.38Å; I139-W153 HydrophobicContact CD1-CH2 3.81Å; I139-W153 HydrophobicContact CD1-CZ2 3.54Å; I139-K168 PolarHBondContact N-O 3.03Å; I139-I169 HydrophobicContact CB-CG1 4.42Å; I139-I169 HydrophobicContact CD1-CG1 4.32Å; I139-I169 WeakPolarHBondContact O-CA 3.45Å; I139-V170 PolarHBondContact O-N 3.06Å; I139-N172 PolarHBondContact O-ND2 3.16Å |
| 140 | D | 83.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.1 | -162.7 | -161.1 | -41.6 | 0 | 0 | 0 | 111.3 | I116 K117 R138 N142 V170 Y1146 | I116-D140 PolarHBondContact O-N 3.44Å; K117-D140 WeakPolarHBondContact CB-O 2.99Å; K117-D140 VanDerWaalsContact CG-O 3.31Å; K117-D140 WeakPolarHBondContact CG-O 2.86Å; R138-D140 HydrophobicContact CG-CB 4.12Å; R138-D140 IonicContact CZ-OD2 2.74Å; R138-D140 VanDerWaalsContact CZ-OD2 3.29Å; R138-D140 IonicContact NE-OD2 2.67Å; R138-D140 PolarHBondContact NE-OD2 3.2Å; R138-D140 IonicContact NH2-OD2 3.87Å; R138-D140 PolarHBondContact NH2-OD2 2.87Å; D140-N142 VanDerWaalsContact C-ND2 3.33Å; D140-N142 PolarHBondContact N-ND2 2.79Å; D140-N142 VanDerWaalsContact N-ND2 3.17Å; D140-N142 PolarHBondContact O-ND2 3.32Å; D140-N142 VanDerWaalsContact O-ND2 3.15Å; D140-V170 CarbonylContact C-O 3.58Å; D140-V170 WeakPolarHBondContact CA-O 3.29Å; D140-Y1146 WeakPolarHBondContact OD1-CD2 3.43Å; D140-Y1146 WeakPolarHBondContact OD2-CD2 3.48Å; D140-Y1146 WeakPolarHBondContact OD2-CE2 3.28Å |
| 141 | S | 84.4 | Confident | 86.6 | Confident | 25 Ų | 25 | 34 Ų | 34 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 63.1 | 43.5 | 171.8 | -54.3 | 0 | 0 | 0 | 0 | 114.6 | P143 V170 K171 | S141-P143 VanDerWaalsContact O-CD 3.23Å; S141-P143 WeakPolarHBondContact O-CD 3.4Å; S141-V170 PolarHBondContact N-O 3.19Å; S141-K171 CarbonylContact C-O 3.54Å; S141-K171 VanDerWaalsContact CA-O 3.23Å; S141-K171 WeakPolarHBondContact CA-O 3.49Å |
| 142 | N | 86.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -108.6 | 79.9 | 177.1 | -48.8 | -95 | 0 | 0 | 0 | 111.2 | I116 K117 S118 D140 Q144 L145 K171 N172 G173 | I116-N142 PolarHBondContact O-ND2 3.17Å; K117-N142 VanDerWaalsContact CA-OD1 3.25Å; K117-N142 WeakPolarHBondContact CA-OD1 3.38Å; S118-N142 PolarHBondContact N-OD1 3.34Å; S118-N142 WeakPolarHBondContact O-CA 3.48Å; S118-N142 PolarHBondContact O-OD1 3.29Å; D140-N142 VanDerWaalsContact C-ND2 3.33Å; D140-N142 PolarHBondContact N-ND2 2.79Å; D140-N142 VanDerWaalsContact N-ND2 3.17Å; D140-N142 PolarHBondContact O-ND2 3.32Å; D140-N142 VanDerWaalsContact O-ND2 3.15Å; N142-Q144 PolarHBondContact O-N 3.26Å; N142-Q144 VanDerWaalsContact O-N 3.09Å; N142-L145 HydrophobicContact CB-CB 3.51Å; N142-L145 HydrophobicContact CB-CD2 3.64Å; N142-L145 HydrophobicContact CB-CG 4.21Å; N142-L145 VanDerWaalsContact O-CB 3.28Å; N142-L145 WeakPolarHBondContact O-CB 3.27Å; N142-L145 PolarHBondContact O-N 3.38Å; N142-K171 PolarHBondContact N-O 3.18Å; N142-N172 VanDerWaalsContact CB-OD1 3.26Å; N142-N172 WeakPolarHBondContact CB-OD1 3.33Å; N142-N172 PolarHBondContact N-OD1 3.33Å; N142-N172 VanDerWaalsContact N-OD1 3.09Å; N142-N172 PolarHBondContact ND2-OD1 2.9Å; N142-N172 VanDerWaalsContact O-CA 3.32Å; N142-N172 WeakPolarHBondContact O-CA 3.29Å; N142-G173 PolarHBondContact O-N 3.08Å | ||
| 143 | P | 83.5 | Confident | 86.3 | Confident | 84 Ų | 84 | 36.9 Ų | 36.9 | 55% | 0.545 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.5 | -166.6 | 25.6 | -36.5 | 0 | 0 | 0 | 115.7 | S141 G173 | S141-P143 VanDerWaalsContact O-CD 3.23Å; S141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-G173 WeakPolarHBondContact O-CA 3.49Å |
| 144 | Q | 85 | Confident | 86 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 44% | 0.444 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.6 | 175.4 | -61.3 | -168.7 | 19 | 0 | 0 | 113.6 | L121 K122 N142 C146 | L121-Q144 CarbonylContact O-C 3.59Å; K122-Q144 WeakPolarHBondContact CA-O 3.31Å; K122-Q144 HydrophobicContact CG-CB 4.3Å; N142-Q144 PolarHBondContact O-N 3.26Å; N142-Q144 VanDerWaalsContact O-N 3.09Å; Q144-C146 PolarHBondContact O-N 3.27Å |
| 145 | L | 88.5 | Confident | 86 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -84.3 | 114.8 | -165.4 | -168.9 | 66.2 | 0 | 0 | 0 | 112.9 | L121 K122 N123 I124 I139 N142 V148 G173 | L121-L145 HydrophobicContact CB-CD1 4.3Å; L121-L145 HydrophobicContact CD2-CD1 3.88Å; L121-L145 HydrophobicContact CG-CD1 3.87Å; L121-L145 WeakPolarHBondContact O-CA 3.47Å; L121-L145 PolarHBondContact O-N 2.93Å; K122-L145 CarbonylContact O-C 3.51Å; K122-L145 WeakPolarHBondContact O-CA 3.45Å; N123-L145 VanDerWaalsContact C-CD1 3.5Å; I124-L145 HydrophobicContact CD1-CD2 4.34Å; I124-L145 HydrophobicContact CG1-CD1 3.99Å; I124-L145 HydrophobicContact CG1-CD2 4.04Å; I124-L145 HydrophobicContact CG1-CG 4.35Å; I139-L145 HydrophobicContact CG2-CD2 3.5Å; N142-L145 HydrophobicContact CB-CB 3.51Å; N142-L145 HydrophobicContact CB-CD2 3.64Å; N142-L145 HydrophobicContact CB-CG 4.21Å; N142-L145 VanDerWaalsContact O-CB 3.28Å; N142-L145 WeakPolarHBondContact O-CB 3.27Å; N142-L145 PolarHBondContact O-N 3.38Å; L145-V148 HydrophobicContact CB-CG2 4.49Å; L145-V148 HydrophobicContact CD2-CG2 3.71Å; L145-V148 HydrophobicContact CG-CG2 3.66Å; L145-G173 WeakPolarHBondContact O-CA 3.34Å; L145-G173 PolarHBondContact O-N 3.37Å | ||
| 146 | C | 86.5 | Confident | 86.4 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | trans | -96.3 | 174.5 | 176.6 | -53 | 0 | 0 | 0 | 0 | 112.2 | K122 Q144 V148 C175 | K122-C146 PolarHBondContact O-N 3.36Å; Q144-C146 PolarHBondContact O-N 3.27Å; C146-V148 PolarHBondContact O-N 3.03Å; C146-C175 WeakPolarHBondContact CA-SG 3.38Å; C146-C175 HydrophobicContact CB-CB 3.49Å; C146-C175 VanDerWaalsContact CB-CB 3.49Å; C146-C175 WeakPolarHBondContact CB-SG 3.49Å; C146-C175 WeakPolarHBondContact SG-CB 3.3Å; C146-C175 CovalentContact SG-SG 2.03Å; C146-C175 PolarHBondContact SG-SG 3.41Å | ||
| 147 | Y | 85.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | trans | 60.7 | 13.7 | 171.4 | -54.8 | -78.5 | 0 | 0 | 0 | 115.9 | N123 R149 T150 I151 N177 | N123-Y147 WeakPolarHBondContact OD1-CD2 3.45Å; Y147-R149 VanDerWaalsContact C-N 3.3Å; Y147-R149 PolarHBondContact O-N 3.48Å; Y147-T150 VanDerWaalsContact CA-OG1 3.28Å; Y147-T150 WeakPolarHBondContact CA-OG1 3.43Å; Y147-T150 WeakPolarHBondContact CB-OG1 2.87Å; Y147-T150 HydrophobicContact CD1-CG2 4.36Å; Y147-T150 PolarHBondContact O-N 2.72Å; Y147-T150 PolarHBondContact O-OG1 3.08Å; Y147-I151 WeakPolarHBondContact O-CD1 3.02Å; Y147-N177 PolarHBondContact N-OD1 2.99Å | ||
| 148 | V | 86.4 | Confident | 85.2 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -27.7 | 177.6 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | I124 I139 L145 C146 W153 I169 | I124-V148 HydrophobicContact CD1-CG1 4.39Å; I124-V148 HydrophobicContact CD1-CG2 4.22Å; I139-V148 HydrophobicContact CB-CG1 4.45Å; I139-V148 HydrophobicContact CD1-CG1 3.77Å; I139-V148 HydrophobicContact CG2-CG1 4.13Å; I139-V148 HydrophobicContact CG2-CG2 4.38Å; L145-V148 HydrophobicContact CB-CG2 4.49Å; L145-V148 HydrophobicContact CD2-CG2 3.71Å; L145-V148 HydrophobicContact CG-CG2 3.66Å; C146-V148 PolarHBondContact O-N 3.03Å; V148-W153 PolarHBondContact O-NE1 2.92Å; V148-I169 HydrophobicContact CB-CG2 4.48Å; V148-I169 HydrophobicContact CG1-CB 4.44Å; V148-I169 HydrophobicContact CG1-CD1 3.85Å; V148-I169 HydrophobicContact CG1-CG1 3.83Å; V148-I169 HydrophobicContact CG1-CG2 3.7Å |
| 149 | R | 82 | Confident | 83.4 | Confident | 198 Ų | 198 | 43.4 Ų | 43.4 | 75% | 0.747 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.2 | 178.8 | -71.5 | -174.1 | 172.9 | -169.7 | -5.4 | 114.3 | Y147 | Y147-R149 VanDerWaalsContact C-N 3.3Å; Y147-R149 PolarHBondContact O-N 3.48Å |
| 150 | T | 86.4 | Confident | 81.7 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -93.6 | -4.1 | 177.2 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | Y147 N177 C179 H212 C213 | Y147-T150 VanDerWaalsContact CA-OG1 3.28Å; Y147-T150 WeakPolarHBondContact CA-OG1 3.43Å; Y147-T150 WeakPolarHBondContact CB-OG1 2.87Å; Y147-T150 HydrophobicContact CD1-CG2 4.36Å; Y147-T150 PolarHBondContact O-N 2.72Å; Y147-T150 PolarHBondContact O-OG1 3.08Å; T150-N177 HydrophobicContact CG2-CB 3.94Å; T150-N177 WeakPolarHBondContact CG2-O 3.5Å; T150-C179 VanDerWaalsContact CG2-SG 3.56Å; T150-H212 CarbonylContact O-C 3.29Å; T150-H212 VanDerWaalsContact O-CA 3.29Å; T150-H212 WeakPolarHBondContact O-CA 3.23Å; T150-H212 WeakPolarHBondContact O-CB 3.37Å; T150-C213 CarbonylContact C-O 3.53Å; T150-C213 VanDerWaalsContact CB-O 3.29Å; T150-C213 WeakPolarHBondContact CB-O 3.22Å; T150-C213 PolarHBondContact O-N 3.22Å; T150-C213 PolarHBondContact OG1-O 3.12Å |
| 151 | I | 88.1 | Confident | 79.4 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -93.6 | 123.9 | 175.4 | -59.4 | 156 | 0 | 0 | 0 | 108.1 | I124 Y147 W153 I156 W214 | I124-I151 HydrophobicContact CD1-CD1 4.39Å; Y147-I151 WeakPolarHBondContact O-CD1 3.02Å; I151-W153 HydrophobicContact CB-CZ2 4.17Å; I151-W153 HydrophobicContact CD1-CH2 4.26Å; I151-W153 HydrophobicContact CD1-CZ2 3.7Å; I151-W153 HydrophobicContact CG2-CD2 3.95Å; I151-W153 HydrophobicContact CG2-CE3 4.34Å; I151-W153 HydrophobicContact CG2-CG 4.35Å; I151-W153 HydrophobicContact CG2-CH2 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.01Å; I151-W153 PolarHBondContact O-N 3.17Å; I151-I156 HydrophobicContact CG2-CD1 3.78Å; I151-W214 HydrophobicContact CD1-CD2 4.03Å; I151-W214 HydrophobicContact CD1-CE3 3.4Å; I151-W214 HydrophobicContact CD1-CH2 4.33Å; I151-W214 HydrophobicContact CD1-CZ3 3.57Å; I151-W214 HydrophobicContact CG1-CD2 3.99Å; I151-W214 HydrophobicContact CG1-CE3 3.89Å; I151-W214 HydrophobicContact CG1-CG 4.44Å; I151-W214 HydrophobicContact CG1-CZ3 4.23Å; I151-W214 HydrophobicContact CG2-CH2 4.06Å; I151-W214 HydrophobicContact CG2-CZ2 4.11Å; I151-W214 HydrophobicContact CG2-CZ3 4.39Å |
| 152 | D | 87.2 | Confident | 77.1 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | trans | -72.9 | 107.9 | 163.5 | -176.3 | -32.1 | 0 | 0 | 0 | 108.5 | D154 V155 Q220 | D152-D154 PolarHBondContact OD1-N 2.94Å; D152-V155 HydrophobicContact CB-CB 4.44Å; D152-V155 HydrophobicContact CB-CG2 4.4Å; D152-V155 VanDerWaalsContact CG-CG2 3.47Å; D152-V155 PolarHBondContact OD1-N 3.34Å; D152-V155 VanDerWaalsContact OD2-CG2 3.27Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.45Å; D152-Q220 PolarHBondContact O-NE2 2.92Å | ||
| 153 | W | 87.5 | Confident | 74.9 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -84 | -21.6 | 179.7 | -66.1 | 96.9 | 0 | 0 | 0 | 113 | I124 V137 I139 V148 I151 I156 L157 V167 W214 | I124-W153 HydrophobicContact CD1-CH2 4.21Å; I124-W153 HydrophobicContact CD1-CZ2 4.1Å; V137-W153 HydrophobicContact CB-CE3 4.4Å; V137-W153 HydrophobicContact CB-CZ3 4.43Å; V137-W153 HydrophobicContact CG1-CE3 4.2Å; V137-W153 HydrophobicContact CG1-CH2 4.08Å; V137-W153 HydrophobicContact CG1-CZ3 3.86Å; V137-W153 HydrophobicContact CG2-CE3 3.93Å; V137-W153 HydrophobicContact CG2-CZ3 3.96Å; I139-W153 HydrophobicContact CD1-CH2 3.81Å; I139-W153 HydrophobicContact CD1-CZ2 3.54Å; V148-W153 PolarHBondContact O-NE1 2.92Å; I151-W153 HydrophobicContact CB-CZ2 4.17Å; I151-W153 HydrophobicContact CD1-CH2 4.26Å; I151-W153 HydrophobicContact CD1-CZ2 3.7Å; I151-W153 HydrophobicContact CG2-CD2 3.95Å; I151-W153 HydrophobicContact CG2-CE3 4.34Å; I151-W153 HydrophobicContact CG2-CG 4.35Å; I151-W153 HydrophobicContact CG2-CH2 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.01Å; I151-W153 PolarHBondContact O-N 3.17Å; W153-I156 HydrophobicContact CE3-CD1 4.26Å; W153-I156 PolarHBondContact O-N 2.87Å; W153-L157 HydrophobicContact CB-CD1 4.4Å; W153-L157 WeakPolarHBondContact O-CB 3.08Å; W153-L157 WeakPolarHBondContact O-CG 3.5Å; W153-L157 PolarHBondContact O-N 2.56Å; W153-V167 HydrophobicContact CB-CG2 3.84Å; W153-V167 HydrophobicContact CG-CG1 4.31Å; W153-V167 HydrophobicContact CG-CG2 4.27Å; W153-W214 HydrophobicContact CH2-CH2 4.44Å; W153-W214 HydrophobicContact CH2-CZ3 4.31Å |
| 154 | D | 82 | Confident | 72.9 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -35 | -177.6 | -66.1 | -28.6 | 0 | 0 | 0 | 111 | D152 I156 L157 | D152-D154 PolarHBondContact OD1-N 2.94Å; D154-I156 PolarHBondContact O-N 3.15Å; D154-L157 PolarHBondContact O-N 3.16Å |
| 155 | V | 83 | Confident | 71.2 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.4 | 168.9 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | D152 I222 | D152-V155 HydrophobicContact CB-CB 4.44Å; D152-V155 HydrophobicContact CB-CG2 4.4Å; D152-V155 VanDerWaalsContact CG-CG2 3.47Å; D152-V155 PolarHBondContact OD1-N 3.34Å; D152-V155 VanDerWaalsContact OD2-CG2 3.27Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.45Å; V155-I222 HydrophobicContact CG1-CG1 4.42Å; V155-I222 HydrophobicContact CG1-CG2 4.38Å |
| 156 | I | 88.5 | Confident | 70.3 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -36.6 | 179.7 | -59.6 | 172.6 | 0 | 0 | 0 | 111.4 | V131 I132 I151 W153 D154 Q158 W214 | V131-I156 WeakPolarHBondContact CA-O 3.36Å; I132-I156 HydrophobicContact CB-CG2 4.18Å; I132-I156 HydrophobicContact CD1-CG2 3.88Å; I132-I156 HydrophobicContact CG1-CG2 3.73Å; I132-I156 PolarHBondContact N-O 3.27Å; I151-I156 HydrophobicContact CG2-CD1 3.78Å; W153-I156 HydrophobicContact CE3-CD1 4.26Å; W153-I156 PolarHBondContact O-N 2.87Å; D154-I156 PolarHBondContact O-N 3.15Å; I156-Q158 PolarHBondContact O-N 3.38Å; I156-W214 HydrophobicContact CD1-CH2 3.89Å; I156-W214 HydrophobicContact CD1-CZ2 3.7Å |
| 157 | L | 85.1 | Confident | 70 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -95.1 | 73.2 | -175.4 | -72.3 | 164.6 | 0 | 0 | 0 | 111.9 | I132 G135 V137 W153 D154 G159 V167 | I132-L157 HydrophobicContact CB-CD2 3.8Å; I132-L157 HydrophobicContact CD1-CD2 4.46Å; I132-L157 HydrophobicContact CG2-CD2 3.74Å; G135-L157 WeakPolarHBondContact O-CD2 2.93Å; V137-L157 HydrophobicContact CG2-CD1 4.31Å; V137-L157 HydrophobicContact CG2-CD2 4.49Å; W153-L157 HydrophobicContact CB-CD1 4.4Å; W153-L157 WeakPolarHBondContact O-CB 3.08Å; W153-L157 WeakPolarHBondContact O-CG 3.5Å; W153-L157 PolarHBondContact O-N 2.56Å; D154-L157 PolarHBondContact O-N 3.16Å; L157-G159 PolarHBondContact O-N 2.98Å; L157-V167 HydrophobicContact CD1-CG2 3.39Å |
| 158 | Q | 66.3 | Low | 69.9 | Low | 99 Ų | 99 | 68.8 Ų | 68.8 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 95.5 | -169.7 | -61.9 | -173.1 | -12.6 | 0 | 0 | 114.2 | I156 | I156-Q158 PolarHBondContact O-N 3.38Š|
| 159 | G | 54.3 | Low | 69.8 | Low | 64 Ų | 64 | 71.3 Ų | 71.3 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 27.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | L157 N161 | L157-G159 PolarHBondContact O-N 2.98Å; G159-N161 VanDerWaalsContact C-N 3.27Å; G159-N161 PolarHBondContact O-N 2.85Å |
| 160 | Q | 54 | Low | 69.6 | Low | 85 Ų | 85 | 63.6 Ų | 63.6 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | trans | -75.4 | 72.7 | 176.7 | -69.9 | -177.7 | 61.9 | 0 | 0 | 112.6 | G135 G162 | G135-Q160 PolarHBondContact O-NE2 3.17Å; Q160-G162 PolarHBondContact O-N 3.44Å | ||
| 161 | N | 35.7 | Very low | 68.8 | Low | 170 Ų | 170 | 65.1 Ų | 65.1 | 91% | 0.909 | 38% | 0.381 | S | S | * | . | trans | -70.5 | 85.7 | 172.5 | -78.3 | -9.5 | 0 | 0 | 0 | 111.5 | G159 | G159-N161 VanDerWaalsContact C-N 3.27Å; G159-N161 PolarHBondContact O-N 2.85Å | ||
| 162 | G | 36 | Very low | 68.4 | Low | 53 Ų | 53 | 66.3 Ų | 66.3 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 165.6 | 114.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q160 V164 | Q160-G162 PolarHBondContact O-N 3.44Å; G162-V164 PolarHBondContact O-N 3.13Å |
| 163 | D | 40.1 | Very low | 67.6 | Low | 125 Ų | 125 | 65 Ų | 65 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 63.3 | 0.8 | 142.6 | -137.5 | 24.4 | 0 | 0 | 0 | 119.2 | K852 | D163-K852 IonicContact OD1-NZ 2.75Å; D163-K852 WeakPolarHBondContact OD2-CE 3.46Å; D163-K852 IonicContact OD2-NZ 3.59Å; D163-K852 PolarHBondContact OD2-NZ 2.84Å |
| 164 | V | 42.3 | Very low | 66.6 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 66% | 0.655 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -134.2 | 120.1 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | G162 S166 | G162-V164 PolarHBondContact O-N 3.13Å; V164-S166 PolarHBondContact O-N 3.02Å |
| 165 | S | 50.1 | Low | 66.1 | Low | 106 Ų | 106 | 68.2 Ų | 68.2 | 74% | 0.741 | 40% | 0.404 | S | S | * | . | trans | -64 | 103.6 | 169.2 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | V167 | S165-V167 PolarHBondContact O-N 3.01Š| ||
| 166 | S | 69.1 | Low | 65.2 | Low | 31 Ų | 31 | 70.1 Ų | 70.1 | 22% | 0.217 | 42% | 0.418 | C | S | . | . | trans | -73.3 | -21 | -158.8 | 57.3 | 0 | 0 | 0 | 0 | 115 | G136 V137 V164 | G136-S166 CarbonylContact C-O 3.55Å; G136-S166 WeakPolarHBondContact CA-O 3.43Å; V137-S166 PolarHBondContact N-O 2.92Å; V164-S166 PolarHBondContact O-N 3.02Å | ||
| 167 | V | 80.8 | Confident | 64.4 | Low | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.261 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.8 | -176.8 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | V137 W153 L157 S165 I169 | V137-V167 HydrophobicContact CB-CG2 4.49Å; V137-V167 CarbonylContact O-C 3.58Å; V137-V167 WeakPolarHBondContact O-CA 3.42Å; W153-V167 HydrophobicContact CB-CG2 3.84Å; W153-V167 HydrophobicContact CG-CG1 4.31Å; W153-V167 HydrophobicContact CG-CG2 4.27Å; L157-V167 HydrophobicContact CD1-CG2 3.39Å; S165-V167 PolarHBondContact O-N 3.01Å; V167-I169 HydrophobicContact CG1-CD1 3.46Å; V167-I169 VanDerWaalsContact CG1-CD1 3.46Å; V167-I169 HydrophobicContact CG1-CG1 3.73Å |
| 168 | K | 83.3 | Confident | 63.9 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 30% | 0.304 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.2 | 175.5 | -177.6 | 161.8 | -176.8 | 168.4 | 0 | 110.9 | Y112 V137 R138 I139 V170 | Y112-K168 HydrophobicContact CE1-CB 4.27Å; V137-K168 PolarHBondContact O-N 3.12Å; R138-K168 WeakPolarHBondContact CA-O 3.25Å; R138-K168 HydrophobicContact CG-CB 4.44Å; I139-K168 PolarHBondContact N-O 3.03Å; K168-V170 HydrophobicContact CD-CG2 4.34Å; K168-V170 HydrophobicContact CG-CG2 3.69Å |
| 169 | I | 82.9 | Confident | 64.4 | Low | 59 Ų | 59 | 72.4 Ų | 72.4 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109.1 | 179.4 | -65.8 | 158.1 | 0 | 0 | 0 | 108.8 | I139 V148 V167 N172 | I139-I169 HydrophobicContact CB-CG1 4.42Å; I139-I169 HydrophobicContact CD1-CG1 4.32Å; I139-I169 WeakPolarHBondContact O-CA 3.45Å; V148-I169 HydrophobicContact CB-CG2 4.48Å; V148-I169 HydrophobicContact CG1-CB 4.44Å; V148-I169 HydrophobicContact CG1-CD1 3.85Å; V148-I169 HydrophobicContact CG1-CG1 3.83Å; V148-I169 HydrophobicContact CG1-CG2 3.7Å; V167-I169 HydrophobicContact CG1-CD1 3.46Å; V167-I169 VanDerWaalsContact CG1-CD1 3.46Å; V167-I169 HydrophobicContact CG1-CG1 3.73Å; I169-N172 WeakPolarHBondContact CG2-ND2 3.24Å |
| 170 | V | 77.7 | Confident | 65.4 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.1 | -174.9 | -163 | 0 | 0 | 0 | 0 | 110.8 | I139 D140 S141 K168 N172 | I139-V170 PolarHBondContact O-N 3.06Å; D140-V170 CarbonylContact C-O 3.58Å; D140-V170 WeakPolarHBondContact CA-O 3.29Å; S141-V170 PolarHBondContact N-O 3.19Å; K168-V170 HydrophobicContact CD-CG2 4.34Å; K168-V170 HydrophobicContact CG-CG2 3.69Å; V170-N172 PolarHBondContact N-ND2 3.34Å; V170-N172 PolarHBondContact O-N 2.92Å; V170-N172 PolarHBondContact O-ND2 2.97Å; V170-N172 VanDerWaalsContact O-ND2 3.11Å; V170-N172 PolarHBondContact O-OD1 2.9Å |
| 171 | K | 71.7 | Confident | 66.1 | Low | 46 Ų | 46 | 72.8 Ų | 72.8 | 20% | 0.2 | 44% | 0.439 | C | S | . | . | S | Bend | trans | 57.9 | 44.7 | 170.2 | -70.3 | 142.3 | -168.2 | -178.4 | 0 | 114.2 | S141 N142 N1143 P1144 D1145 | S141-K171 CarbonylContact C-O 3.54Å; S141-K171 VanDerWaalsContact CA-O 3.23Å; S141-K171 WeakPolarHBondContact CA-O 3.49Å; N142-K171 PolarHBondContact N-O 3.18Å; K171-N1143 WeakPolarHBondContact CD-O 3.08Å; K171-N1143 VanDerWaalsContact CE-O 3.25Å; K171-N1143 WeakPolarHBondContact CE-O 3.31Å; K171-N1143 WeakPolarHBondContact CE-OD1 3.43Å; K171-N1143 HydrophobicContact CG-CB 4.14Å; K171-N1143 WeakPolarHBondContact CG-O 3.22Å; K171-N1143 PolarHBondContact NZ-OD1 3.18Å; K171-P1144 PolarHBondContact NZ-O 2.72Å; K171-D1145 HydrophobicContact CD-CB 4.33Å; K171-D1145 IonicContact NZ-OD2 3.07Å; K171-D1145 PolarHBondContact NZ-OD2 3.06Å |
| 172 | N | 77.9 | Confident | 67.5 | Low | 33 Ų | 33 | 67.7 Ų | 67.7 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | trans | -110.9 | 175.4 | 179 | -55.2 | -54.5 | 0 | 0 | 0 | 112.4 | I139 N142 I169 V170 | I139-N172 PolarHBondContact O-ND2 3.16Å; N142-N172 VanDerWaalsContact CB-OD1 3.26Å; N142-N172 WeakPolarHBondContact CB-OD1 3.33Å; N142-N172 PolarHBondContact N-OD1 3.33Å; N142-N172 VanDerWaalsContact N-OD1 3.09Å; N142-N172 PolarHBondContact ND2-OD1 2.9Å; N142-N172 VanDerWaalsContact O-CA 3.32Å; N142-N172 WeakPolarHBondContact O-CA 3.29Å; I169-N172 WeakPolarHBondContact CG2-ND2 3.24Å; V170-N172 PolarHBondContact N-ND2 3.34Å; V170-N172 PolarHBondContact O-N 2.92Å; V170-N172 PolarHBondContact O-ND2 2.97Å; V170-N172 VanDerWaalsContact O-ND2 3.11Å; V170-N172 PolarHBondContact O-OD1 2.9Å | ||
| 173 | G | 71.5 | Confident | 69.2 | Low | 14 Ų | 14 | 65.9 Ų | 65.9 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | trans | -65.8 | 137 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N142 P143 L145 C175 | N142-G173 PolarHBondContact O-N 3.08Å; P143-G173 WeakPolarHBondContact O-CA 3.49Å; L145-G173 WeakPolarHBondContact O-CA 3.34Å; L145-G173 PolarHBondContact O-N 3.37Å; G173-C175 PolarHBondContact O-N 2.79Å | ||
| 174 | L | 66.1 | Low | 70 | Confident | 187 Ų | 187 | 62.6 Ų | 62.6 | 98% | 0.979 | 39% | 0.393 | S | S | * | . | trans | -83.4 | 60.6 | 174.9 | -71.9 | 166.8 | 0 | 0 | 0 | 111.5 | ||||
| 175 | C | 72.5 | Confident | 70.6 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | trans | -89 | 158.4 | -177.9 | -47.2 | 0 | 0 | 0 | 0 | 113 | C146 G173 N177 | C146-C175 WeakPolarHBondContact CA-SG 3.38Å; C146-C175 HydrophobicContact CB-CB 3.49Å; C146-C175 VanDerWaalsContact CB-CB 3.49Å; C146-C175 WeakPolarHBondContact CB-SG 3.49Å; C146-C175 WeakPolarHBondContact SG-CB 3.3Å; C146-C175 CovalentContact SG-SG 2.03Å; C146-C175 PolarHBondContact SG-SG 3.41Å; G173-C175 PolarHBondContact O-N 2.79Å; C175-N177 PolarHBondContact O-N 2.58Å; C175-N177 PolarHBondContact O-ND2 3.08Å | ||
| 176 | P | 62.9 | Low | 69.9 | Low | 100 Ų | 100 | 63 Ų | 63 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | trans | -64.1 | 101.1 | 162.4 | -14.5 | 29.7 | 0 | 0 | 0 | 109.2 | T178 | P176-T178 PolarHBondContact O-N 3.12Š| ||
| 177 | N | 71.5 | Confident | 68.1 | Low | 56 Ų | 56 | 67.2 Ų | 67.2 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | trans | -82.5 | 53.9 | -178.9 | -73.6 | -45.7 | 0 | 0 | 0 | 110.7 | Y147 T150 C175 | Y147-N177 PolarHBondContact N-OD1 2.99Å; T150-N177 HydrophobicContact CG2-CB 3.94Å; T150-N177 WeakPolarHBondContact CG2-O 3.5Å; C175-N177 PolarHBondContact O-N 2.58Å; C175-N177 PolarHBondContact O-ND2 3.08Å | ||
| 178 | T | 74.8 | Confident | 66 | Low | 74 Ų | 74 | 74 Ų | 74 | 45% | 0.454 | 46% | 0.457 | S | S | . | . | trans | -109.4 | 119.9 | -176.2 | 53 | 0 | 0 | 0 | 0 | 110.4 | P176 | P176-T178 PolarHBondContact O-N 3.12Š| ||
| 179 | C | 77.1 | Confident | 63.4 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 20% | 0.196 | 48% | 0.478 | C | S | . | . | trans | -83 | 159.6 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | T150 C183 G211 C213 | T150-C179 VanDerWaalsContact CG2-SG 3.56Å; C179-C183 HydrophobicContact CB-CB 4.41Å; C179-G211 WeakPolarHBondContact CB-O 3.39Å; C179-G211 PolarHBondContact SG-O 3.35Å; C179-C213 VanDerWaalsContact CA-SG 3.55Å; C179-C213 HydrophobicContact CB-CB 3.68Å; C179-C213 WeakPolarHBondContact CB-SG 2.82Å; C179-C213 WeakPolarHBondContact SG-CB 3.46Å; C179-C213 CovalentContact SG-SG 2.02Å; C179-C213 PolarHBondContact SG-SG 3.24Å | ||
| 180 | S | 75.2 | Confident | 61 | Low | 52 Ų | 52 | 79.5 Ų | 79.5 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | trans | -60.3 | 144.8 | 171.7 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | G182 C183 M216 | S180-G182 PolarHBondContact O-N 3.48Å; S180-G182 PolarHBondContact OG-N 3.25Å; S180-C183 WeakPolarHBondContact O-CB 3.49Å; S180-C183 PolarHBondContact O-N 3.33Å; S180-M216 WeakPolarHBondContact CB-O 3.11Å; S180-M216 PolarHBondContact N-O 3.43Å | ||
| 181 | S | 68.6 | Low | 58.6 | Low | 105 Ų | 105 | 81 Ų | 81 | 73% | 0.734 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -61.4 | -12.2 | 174.7 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | C183 S184 | S181-C183 VanDerWaalsContact C-N 3.27Å; S181-S184 WeakPolarHBondContact O-CB 3.48Å; S181-S184 PolarHBondContact O-N 2.88Å; S181-S184 PolarHBondContact O-OG 2.95Å |
| 182 | G | 66.2 | Low | 56.5 | Low | 63 Ų | 63 | 90.5 Ų | 90.5 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -71.3 | -16 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S180 | S180-G182 PolarHBondContact O-N 3.48Å; S180-G182 PolarHBondContact OG-N 3.25Å |
| 183 | C | 70.4 | Confident | 54.3 | Low | 15 Ų | 15 | 97.5 Ų | 97.5 | 10% | 0.101 | 60% | 0.599 | C | S | . | * | G | 310 helix | trans | -84.8 | -10 | 173.7 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | C179 S180 S181 V185 C219 | C179-C183 HydrophobicContact CB-CB 4.41Å; S180-C183 WeakPolarHBondContact O-CB 3.49Å; S180-C183 PolarHBondContact O-N 3.33Å; S181-C183 VanDerWaalsContact C-N 3.27Å; C183-V185 PolarHBondContact O-N 3.44Å; C183-C219 WeakPolarHBondContact CA-SG 3.31Å; C183-C219 HydrophobicContact CB-CB 3.79Å; C183-C219 WeakPolarHBondContact CB-SG 3.17Å; C183-C219 VanDerWaalsContact SG-CA 3.53Å; C183-C219 WeakPolarHBondContact SG-CB 3.44Å; C183-C219 CovalentContact SG-SG 2.04Å; C183-C219 PolarHBondContact SG-SG 2.83Å |
| 184 | S | 57.9 | Low | 52.4 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -71.3 | 124.6 | 173.8 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | S181 A186 | S181-S184 WeakPolarHBondContact O-CB 3.48Å; S181-S184 PolarHBondContact O-N 2.88Å; S181-S184 PolarHBondContact O-OG 2.95Å; S184-A186 PolarHBondContact O-N 2.87Å |
| 185 | V | 54 | Low | 50.7 | Low | 143 Ų | 143 | 97.3 Ų | 97.3 | 87% | 0.867 | 62% | 0.616 | S | S | * | * | trans | -67.5 | 106 | -175.9 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | C183 S187 | C183-V185 PolarHBondContact O-N 3.44Å; V185-S187 PolarHBondContact O-N 3.43Å; V185-S187 VanDerWaalsContact O-N 3.07Å | ||
| 186 | A | 36.7 | Very low | 48.9 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | trans | -64.6 | 108.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S184 Q188 | S184-A186 PolarHBondContact O-N 2.87Å; A186-Q188 VanDerWaalsContact C-N 3.26Å; A186-Q188 PolarHBondContact O-N 2.88Å | ||
| 187 | S | 30.4 | Very low | 47.4 | Very low | 119 Ų | 119 | 102.1 Ų | 102.1 | 83% | 0.832 | 65% | 0.646 | S | S | * | * | trans | -71.6 | 77.1 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | V185 S189 | V185-S187 PolarHBondContact O-N 3.43Å; V185-S187 VanDerWaalsContact O-N 3.07Å; S187-S189 PolarHBondContact O-N 2.9Å | ||
| 188 | Q | 36.2 | Very low | 45.4 | Very low | 184 Ų | 184 | 107 Ų | 107 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -65.2 | 125.4 | 175.5 | -72.5 | -169 | -10.3 | 0 | 0 | 110.6 | A186 | A186-Q188 VanDerWaalsContact C-N 3.26Å; A186-Q188 PolarHBondContact O-N 2.88Å | ||
| 189 | S | 29.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 134.2 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | S187 | S187-S189 PolarHBondContact O-N 2.9Š| ||
| 190 | T | 31.2 | Very low | 41 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | -176 | 130.7 | 120.8 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 191 | G | 27.7 | Very low | 38.9 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 63.3 | 109.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 192 | R | 28.2 | Very low | 37 | Very low | 245 Ų | 245 | 126 Ų | 126 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | 50.2 | 105.6 | 146 | -60.5 | 178.9 | 178.8 | 175.8 | -0.6 | 118.2 | ||||
| 193 | L | 32.2 | Very low | 35.3 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | -161.2 | 156.6 | 117.2 | -107.7 | 162.9 | 0 | 0 | 0 | 110.5 | |||||
| 194 | S | 29.9 | Very low | 33.4 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -128.3 | 146.7 | -164.2 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 195 | A | 31.4 | Very low | 32 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 65.8 | 117.5 | 163 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 196 | I | 34.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | -169.4 | 155.4 | 126.4 | -92.5 | 150.9 | 0 | 0 | 0 | 106.5 | |||||
| 197 | G | 31.8 | Very low | 30.5 | Very low | 57 Ų | 57 | 140.2 Ų | 140.2 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | trans | -43.7 | 149.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 198 | L | 28.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | 45.2 | 128.6 | 56.9 | -61.6 | 97.8 | 0 | 0 | 0 | 111.7 | |||||
| 199 | W | 30.3 | Very low | 30.2 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | cis | -137.9 | 140.4 | 21.8 | -64.4 | 50.4 | 0 | 0 | 0 | 112.1 | ||||
| 200 | S | 30.8 | Very low | 31.2 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -173.1 | 126 | 150.4 | 40 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | P | 29.5 | Very low | 32.8 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -110.6 | 100.3 | -179.8 | 35.7 | -26.4 | 0 | 0 | 0 | 112.8 | ||||
| 202 | L | 30.2 | Very low | 35.4 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -165.3 | 68.6 | 168.7 | -114.2 | 173.7 | 0 | 0 | 0 | 111.8 | ||||
| 203 | L | 30.7 | Very low | 38.3 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -157.1 | 78 | 177.5 | -117.7 | 169 | 0 | 0 | 0 | 112.6 | ||||
| 204 | R | 29.7 | Very low | 41 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 48% | 0.475 | 63% | 0.631 | S | S | . | * | trans | -148.4 | 92.5 | 171.3 | -73.3 | -171.4 | 173.5 | -146.5 | 4.6 | 110.6 | D749 | R204-D749 IonicContact CZ-OD1 2.65Å; R204-D749 IonicContact CZ-OD2 2.84Å; R204-D749 IonicContact NH1-OD1 3.94Å; R204-D749 PolarHBondContact NH1-OD1 3.3Å; R204-D749 IonicContact NH1-OD2 3.02Å; R204-D749 PolarHBondContact NH1-OD2 3.46Å; R204-D749 IonicContact NH2-OD1 3.94Å; R204-D749 PolarHBondContact NH2-OD1 3.16Å; R204-D749 IonicContact NH2-OD2 3.21Å | ||
| 205 | D | 29 | Very low | 43.5 | Very low | 158 Ų | 158 | 107.1 Ų | 107.1 | 85% | 0.845 | 60% | 0.602 | S | S | * | * | trans | 179.5 | 39.6 | 149.2 | -97.2 | -7.1 | 0 | 0 | 0 | 111.3 | ||||
| 206 | I | 30.7 | Very low | 45.9 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 71% | 0.708 | 59% | 0.587 | S | S | * | * | trans | -120.9 | 106.5 | 172.1 | -58.5 | 178.9 | 0 | 0 | 0 | 108.4 | ||||
| 207 | S | 27.3 | Very low | 48 | Very low | 83 Ų | 83 | 104.7 Ų | 104.7 | 58% | 0.58 | 58% | 0.575 | S | S | * | * | trans | -68.7 | 125.2 | 166.4 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | T209 | S207-T209 VanDerWaalsContact C-N 3.29Å; S207-T209 PolarHBondContact O-N 3.45Å | ||
| 208 | P | 29.7 | Very low | 50.5 | Low | 133 Ų | 133 | 106.1 Ų | 106.1 | 86% | 0.864 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 70.8 | -172.9 | 32.9 | -36.7 | 0 | 0 | 0 | 112.1 | ||
| 209 | T | 32.4 | Very low | 53.2 | Low | 93 Ų | 93 | 101 Ų | 101 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | -32.7 | -177 | 47.8 | 0 | 0 | 0 | 0 | 115.5 | S207 | S207-T209 VanDerWaalsContact C-N 3.29Å; S207-T209 PolarHBondContact O-N 3.45Å |
| 210 | D | 49.5 | Very low | 55.9 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 65% | 0.647 | 51% | 0.505 | S | S | * | . | trans | -109.5 | 119.8 | -174.4 | -65.2 | -79.1 | 0 | 0 | 0 | 111.5 | ||||
| 211 | G | 64.5 | Low | 58.4 | Low | 13 Ų | 13 | 86.8 Ų | 86.8 | 13% | 0.134 | 48% | 0.479 | C | S | . | . | trans | -83.4 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C179 | C179-G211 WeakPolarHBondContact CB-O 3.39Å; C179-G211 PolarHBondContact SG-O 3.35Å | ||
| 212 | H | 83.7 | Confident | 60.8 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 35% | 0.347 | 46% | 0.455 | S | S | . | . | trans | -73.4 | 140.8 | -177.3 | -57.6 | -84.2 | 0 | 0 | 0 | 113.1 | T150 C219 Q220 I222 | T150-H212 CarbonylContact O-C 3.29Å; T150-H212 VanDerWaalsContact O-CA 3.29Å; T150-H212 WeakPolarHBondContact O-CA 3.23Å; T150-H212 WeakPolarHBondContact O-CB 3.37Å; H212-C219 WeakPolarHBondContact O-CA 3.46Å; H212-Q220 HydrophobicContact CB-CB 3.77Å; H212-Q220 PolarHBondContact O-N 3.07Å; H212-I222 HydrophobicContact CB-CD1 4.28Å | ||
| 213 | C | 88 | Confident | 63.4 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -154.3 | 152.9 | -179.7 | 73 | 0 | 0 | 0 | 0 | 114.9 | T150 C179 S215 E218 | T150-C213 CarbonylContact C-O 3.53Å; T150-C213 VanDerWaalsContact CB-O 3.29Å; T150-C213 WeakPolarHBondContact CB-O 3.22Å; T150-C213 PolarHBondContact O-N 3.22Å; T150-C213 PolarHBondContact OG1-O 3.12Å; C179-C213 VanDerWaalsContact CA-SG 3.55Å; C179-C213 HydrophobicContact CB-CB 3.68Å; C179-C213 WeakPolarHBondContact CB-SG 2.82Å; C179-C213 WeakPolarHBondContact SG-CB 3.46Å; C179-C213 CovalentContact SG-SG 2.02Å; C179-C213 PolarHBondContact SG-SG 3.24Å; C213-S215 VanDerWaalsContact CB-O 3.25Å; C213-S215 WeakPolarHBondContact CB-O 3.32Å; C213-S215 PolarHBondContact SG-O 3.37Å; C213-E218 CarbonylContact C-O 3.53Å; C213-E218 WeakPolarHBondContact CA-O 3.38Å; C213-E218 WeakPolarHBondContact CB-O 3.44Å |
| 214 | W | 88.6 | Confident | 65.9 | Low | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -91.1 | -20.5 | 173.7 | -67.6 | 90.8 | 0 | 0 | 0 | 113.2 | I124 L126 F127 L129 I151 W153 I156 E218 | I124-W214 HydrophobicContact CB-CE3 4.39Å; I124-W214 HydrophobicContact CB-CZ3 4.46Å; I124-W214 HydrophobicContact CG2-CE3 4.23Å; I124-W214 HydrophobicContact CG2-CZ3 3.89Å; L126-W214 HydrophobicContact CB-CE3 4.25Å; L126-W214 HydrophobicContact CB-CH2 4.3Å; L126-W214 HydrophobicContact CB-CZ3 3.94Å; L126-W214 WeakPolarHBondContact O-CZ2 3.25Å; F127-W214 HydrophobicContact CB-CB 4.47Å; F127-W214 HydrophobicContact CB-CG 4.28Å; L129-W214 HydrophobicContact CB-CH2 4.11Å; L129-W214 HydrophobicContact CB-CZ2 4.14Å; L129-W214 HydrophobicContact CD2-CH2 4.11Å; L129-W214 HydrophobicContact CG-CH2 4.46Å; I151-W214 HydrophobicContact CD1-CD2 4.03Å; I151-W214 HydrophobicContact CD1-CE3 3.4Å; I151-W214 HydrophobicContact CD1-CH2 4.33Å; I151-W214 HydrophobicContact CD1-CZ3 3.57Å; I151-W214 HydrophobicContact CG1-CD2 3.99Å; I151-W214 HydrophobicContact CG1-CE3 3.89Å; I151-W214 HydrophobicContact CG1-CG 4.44Å; I151-W214 HydrophobicContact CG1-CZ3 4.23Å; I151-W214 HydrophobicContact CG2-CH2 4.06Å; I151-W214 HydrophobicContact CG2-CZ2 4.11Å; I151-W214 HydrophobicContact CG2-CZ3 4.39Å; W153-W214 HydrophobicContact CH2-CH2 4.44Å; W153-W214 HydrophobicContact CH2-CZ3 4.31Å; I156-W214 HydrophobicContact CD1-CH2 3.89Å; I156-W214 HydrophobicContact CD1-CZ2 3.7Å; W214-E218 HydrophobicContact CB-CB 4.47Å; W214-E218 PolarHBondContact N-O 2.9Å |
| 215 | S | 83.6 | Confident | 68.2 | Low | 15 Ų | 15 | 71.1 Ų | 71.1 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -156.5 | 174.3 | 172.3 | 80.8 | 0 | 0 | 0 | 0 | 108.7 | C213 N217 E218 | C213-S215 VanDerWaalsContact CB-O 3.25Å; C213-S215 WeakPolarHBondContact CB-O 3.32Å; C213-S215 PolarHBondContact SG-O 3.37Å; S215-N217 PolarHBondContact O-N 2.78Å; S215-N217 PolarHBondContact OG-N 2.7Å; S215-E218 PolarHBondContact O-N 3.28Å; S215-E218 PolarHBondContact OG-N 2.88Å |
| 216 | M | 80.3 | Confident | 70.7 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 47% | 0.473 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -48.8 | -33.7 | 176.1 | -176.4 | 165.9 | -82.6 | 0 | 0 | 114.2 | S180 | S180-M216 WeakPolarHBondContact CB-O 3.11Å; S180-M216 PolarHBondContact N-O 3.43Å |
| 217 | N | 80 | Confident | 73.3 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -107.5 | -23.9 | -173.4 | -62.5 | -16.5 | 0 | 0 | 0 | 113.7 | S215 | S215-N217 PolarHBondContact O-N 2.78Å; S215-N217 PolarHBondContact OG-N 2.7Å |
| 218 | E | 83.1 | Confident | 75.8 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | trans | -101 | 97.8 | -174.2 | -62.8 | -57.4 | 151.8 | 0 | 0 | 111.2 | F127 C213 W214 S215 | F127-E218 HydrophobicContact CB-CB 4.08Å; F127-E218 HydrophobicContact CD1-CG 4.18Å; C213-E218 CarbonylContact C-O 3.53Å; C213-E218 WeakPolarHBondContact CA-O 3.38Å; C213-E218 WeakPolarHBondContact CB-O 3.44Å; W214-E218 HydrophobicContact CB-CB 4.47Å; W214-E218 PolarHBondContact N-O 2.9Å; S215-E218 PolarHBondContact O-N 3.28Å; S215-E218 PolarHBondContact OG-N 2.88Å | ||
| 219 | C | 85.5 | Confident | 78 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 153.9 | 177.4 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | C183 H212 | C183-C219 WeakPolarHBondContact CA-SG 3.31Å; C183-C219 HydrophobicContact CB-CB 3.79Å; C183-C219 WeakPolarHBondContact CB-SG 3.17Å; C183-C219 VanDerWaalsContact SG-CA 3.53Å; C183-C219 WeakPolarHBondContact SG-CB 3.44Å; C183-C219 CovalentContact SG-SG 2.04Å; C183-C219 PolarHBondContact SG-SG 2.83Å; H212-C219 WeakPolarHBondContact O-CA 3.46Å |
| 220 | Q | 87.5 | Confident | 80.4 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | trans | -75.6 | 128 | 175.5 | -175.1 | 173.9 | -8.5 | 0 | 0 | 111.3 | D152 H212 I222 | D152-Q220 PolarHBondContact O-NE2 2.92Å; H212-Q220 HydrophobicContact CB-CB 3.77Å; H212-Q220 PolarHBondContact O-N 3.07Å; Q220-I222 VanDerWaalsContact C-N 3.31Å; Q220-I222 HydrophobicContact CB-CG1 4.43Å; Q220-I222 HydrophobicContact CG-CG1 4.01Å; Q220-I222 PolarHBondContact O-N 3.39Å | ||
| 221 | S | 82 | Confident | 81.9 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | trans | -76.6 | 71.5 | -179.3 | 172 | 0 | 0 | 0 | 0 | 113 | R130 | R130-S221 VanDerWaalsContact CZ-OG 3.24Å; R130-S221 PolarHBondContact NE-OG 3.35Å; R130-S221 PolarHBondContact NH2-OG 3.5Å | ||
| 222 | I | 81.7 | Confident | 82.9 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 139.3 | 175 | -56.3 | 179.4 | 0 | 0 | 0 | 110.5 | V155 H212 Q220 | V155-I222 HydrophobicContact CG1-CG1 4.42Å; V155-I222 HydrophobicContact CG1-CG2 4.38Å; H212-I222 HydrophobicContact CB-CD1 4.28Å; Q220-I222 VanDerWaalsContact C-N 3.31Å; Q220-I222 HydrophobicContact CB-CG1 4.43Å; Q220-I222 HydrophobicContact CG-CG1 4.01Å; Q220-I222 PolarHBondContact O-N 3.39Å |
| 223 | C | 84.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 148.3 | 176 | -67.6 | 0 | 0 | 0 | 0 | 112 | T228 C234 | C223-T228 HydrophobicContact CB-CG2 4.15Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.67Å; C223-C234 WeakPolarHBondContact CB-SG 3.17Å; C223-C234 WeakPolarHBondContact SG-CB 3.3Å; C223-C234 PolarHBondContact SG-N 3.21Å; C223-C234 CovalentContact SG-SG 2.04Å; C223-C234 PolarHBondContact SG-SG 2.88Å |
| 224 | P | 82 | Confident | 83.2 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 154.9 | -177.7 | -5.3 | 18.3 | 0 | 0 | 0 | 112 | N226 C227 T228 P239 | P224-N226 PolarHBondContact O-N 2.8Å; P224-N226 VanDerWaalsContact O-N 3.1Å; P224-C227 WeakPolarHBondContact O-CB 3.43Å; P224-C227 PolarHBondContact O-N 3.38Å; P224-T228 PolarHBondContact O-N 2.84Å; P224-P239 WeakPolarHBondContact CD-O 3.41Å; P224-P239 WeakPolarHBondContact CG-O 3.47Å |
| 225 | L | 78.4 | Confident | 83.3 | Confident | 127 Ų | 127 | 60 Ų | 60 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.5 | -32.6 | -170.9 | -160.6 | 74.9 | 0 | 0 | 0 | 113.8 | C227 T228 L229 | L225-C227 VanDerWaalsContact C-N 3.29Å; L225-C227 PolarHBondContact O-N 2.9Å; L225-T228 WeakPolarHBondContact CA-OG1 3.26Å; L225-T228 PolarHBondContact O-N 2.67Å; L225-T228 PolarHBondContact O-OG1 3.15Å; L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.89Å; L225-L229 HydrophobicContact CG-CG 4.19Å; L225-L229 VanDerWaalsContact O-CB 3.3Å; L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 2.72Å |
| 226 | N | 82.9 | Confident | 83.3 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.8 | -26.9 | 176.9 | 64.9 | -15.6 | 0 | 0 | 0 | 113.5 | P224 L230 | P224-N226 PolarHBondContact O-N 2.8Å; P224-N226 VanDerWaalsContact O-N 3.1Å; N226-L230 WeakPolarHBondContact O-CD1 3.21Å; N226-L230 WeakPolarHBondContact O-CG 3.22Å |
| 227 | C | 85.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82.4 | -43.8 | 174.4 | -50.5 | 0 | 0 | 0 | 0 | 111 | P224 L225 L230 N231 L232 C242 | P224-C227 WeakPolarHBondContact O-CB 3.43Å; P224-C227 PolarHBondContact O-N 3.38Å; L225-C227 VanDerWaalsContact C-N 3.29Å; L225-C227 PolarHBondContact O-N 2.9Å; C227-L230 CarbonylContact O-C 3.56Å; C227-L230 PolarHBondContact O-N 3.42Å; C227-N231 PolarHBondContact O-N 2.81Å; C227-L232 CarbonylContact C-O 3.57Å; C227-L232 HydrophobicContact CB-CB 4.29Å; C227-L232 WeakPolarHBondContact O-CB 3.21Å; C227-L232 PolarHBondContact O-N 3.41Å; C227-C242 WeakPolarHBondContact CA-SG 3.3Å; C227-C242 HydrophobicContact CB-CB 3.87Å; C227-C242 WeakPolarHBondContact CB-SG 3.44Å; C227-C242 WeakPolarHBondContact SG-CA 3.45Å; C227-C242 WeakPolarHBondContact SG-CB 3.08Å; C227-C242 CovalentContact SG-SG 2.04Å; C227-C242 PolarHBondContact SG-SG 3.11Å |
| 228 | T | 78 | Confident | 82.7 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | C223 P224 L225 L230 N231 | C223-T228 HydrophobicContact CB-CG2 4.15Å; P224-T228 PolarHBondContact O-N 2.84Å; L225-T228 WeakPolarHBondContact CA-OG1 3.26Å; L225-T228 PolarHBondContact O-N 2.67Å; L225-T228 PolarHBondContact O-OG1 3.15Å; T228-L230 PolarHBondContact O-N 3.33Å; T228-N231 PolarHBondContact O-N 3.46Å |
| 229 | L | 77.4 | Confident | 82.1 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 71% | 0.712 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.5 | 173.2 | -73.7 | 170.1 | 0 | 0 | 0 | 113.4 | L225 | L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.89Å; L225-L229 HydrophobicContact CG-CG 4.19Å; L225-L229 VanDerWaalsContact O-CB 3.3Å; L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 2.72Å |
| 230 | L | 81.5 | Confident | 81.5 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 63% | 0.628 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5 | 177.1 | -65.3 | 177.2 | 0 | 0 | 0 | 113.2 | N226 C227 T228 L232 | N226-L230 WeakPolarHBondContact O-CD1 3.21Å; N226-L230 WeakPolarHBondContact O-CG 3.22Å; C227-L230 CarbonylContact O-C 3.56Å; C227-L230 PolarHBondContact O-N 3.42Å; T228-L230 PolarHBondContact O-N 3.33Å; L230-L232 HydrophobicContact CB-CD1 3.77Å; L230-L232 HydrophobicContact CB-CG 3.7Å; L230-L232 HydrophobicContact CD1-CD1 4.02Å; L230-L232 PolarHBondContact O-N 3.49Å |
| 231 | N | 81.8 | Confident | 81.3 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 57% | 0.572 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 39.1 | -173.7 | -163.3 | -25.2 | 0 | 0 | 0 | 112 | C227 T228 K263 | C227-N231 PolarHBondContact O-N 2.81Å; T228-N231 PolarHBondContact O-N 3.46Å; N231-K263 PolarHBondContact O-NZ 2.96Å; N231-K263 PolarHBondContact OD1-NZ 3.06Å |
| 232 | L | 86.4 | Confident | 81.7 | Confident | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | trans | -111.2 | 151.4 | 178.1 | -55.8 | 179.4 | 0 | 0 | 0 | 111.1 | C227 L230 C242 P245 | C227-L232 CarbonylContact C-O 3.57Å; C227-L232 HydrophobicContact CB-CB 4.29Å; C227-L232 WeakPolarHBondContact O-CB 3.21Å; C227-L232 PolarHBondContact O-N 3.41Å; L230-L232 HydrophobicContact CB-CD1 3.77Å; L230-L232 HydrophobicContact CB-CG 3.7Å; L230-L232 HydrophobicContact CD1-CD1 4.02Å; L230-L232 PolarHBondContact O-N 3.49Å; L232-C242 HydrophobicContact CB-CB 4.31Å; L232-C242 HydrophobicContact CD1-CB 4.01Å; L232-P245 HydrophobicContact CD2-CB 3.91Å; L232-P245 HydrophobicContact CD2-CG 3.86Å | ||
| 233 | T | 88.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | trans | -89.2 | 174 | 170.2 | 55.2 | 0 | 0 | 0 | 0 | 111 | C242 C243 C247 | T233-C242 CarbonylContact O-C 3.45Å; T233-C242 WeakPolarHBondContact O-CA 3.22Å; T233-C243 PolarHBondContact O-N 2.86Å; T233-C243 WeakPolarHBondContact OG1-CB 3.42Å; T233-C247 PolarHBondContact OG1-O 3.04Å | ||
| 234 | C | 89.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 158.6 | -179 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | R130 C223 P239 K241 C243 G250 | R130-C234 PolarHBondContact NH1-O 2.76Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.67Å; C223-C234 WeakPolarHBondContact CB-SG 3.17Å; C223-C234 WeakPolarHBondContact SG-CB 3.3Å; C223-C234 PolarHBondContact SG-N 3.21Å; C223-C234 CovalentContact SG-SG 2.04Å; C223-C234 PolarHBondContact SG-SG 2.88Å; C234-P239 VanDerWaalsContact CB-O 3.29Å; C234-P239 WeakPolarHBondContact CB-O 3.42Å; C234-K241 VanDerWaalsContact CA-O 3.31Å; C234-K241 WeakPolarHBondContact CA-O 3.46Å; C234-C243 PolarHBondContact O-SG 2.75Å; C234-C243 VanDerWaalsContact O-SG 3.39Å; C234-G250 WeakPolarHBondContact O-CA 3.17Å |
| 235 | T | 89.8 | Confident | 83 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 154.8 | -174.4 | 89.4 | 0 | 0 | 0 | 0 | 112.5 | R130 R238 K241 C251 | R130-T235 PolarHBondContact NH2-O 3.1Å; R130-T235 VanDerWaalsContact NH2-O 3.09Å; T235-R238 WeakPolarHBondContact OG1-CA 3.25Å; T235-R238 PolarHBondContact OG1-N 3.44Å; T235-R238 PolarHBondContact OG1-O 2.58Å; T235-K241 HydrophobicContact CG2-CB 4.06Å; T235-K241 HydrophobicContact CG2-CG 4.43Å; T235-K241 WeakPolarHBondContact CG2-O 3.31Å; T235-K241 PolarHBondContact N-O 3.34Å; T235-C251 CarbonylContact C-O 3.57Å; T235-C251 VanDerWaalsContact CA-O 3.24Å; T235-C251 WeakPolarHBondContact CA-O 3.28Å; T235-C251 WeakPolarHBondContact CB-O 3.44Å |
| 236 | M | 84.6 | Confident | 83.7 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -72.6 | -32.3 | 177.6 | -61.4 | -56.3 | -68.4 | 0 | 0 | 112.8 | T101 R130 C251 Y252 V260 | T101-M236 HydrophobicContact CG2-CE 3.92Å; T101-M236 HydrophobicContact CG2-SD 4.2Å; R130-M236 PolarHBondContact NH1-SD 2.77Å; R130-M236 VanDerWaalsContact NH1-SD 3.36Å; M236-C251 PolarHBondContact N-O 3.38Å; M236-Y252 HydrophobicContact CB-CD1 4.26Å; M236-Y252 HydrophobicContact CB-CE1 4.04Å; M236-Y252 HydrophobicContact CG-CD1 4.28Å; M236-Y252 HydrophobicContact CG-CE1 3.86Å; M236-V260 HydrophobicContact CG-CG2 3.63Å; M236-V260 HydrophobicContact SD-CG2 3.86Å |
| 237 | K | 77.7 | Confident | 84.2 | Confident | 146 Ų | 146 | 66.3 Ų | 66.3 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -98 | -18.8 | -174.9 | -67.5 | -169.2 | 176.5 | -172 | 0 | 114.6 | ||
| 238 | R | 70.7 | Confident | 84.4 | Confident | 192 Ų | 192 | 66.6 Ų | 66.6 | 73% | 0.725 | 33% | 0.332 | S | S | * | . | trans | -145.7 | 86.6 | -178.2 | -66.4 | -178.5 | -177.7 | 156.9 | -0.4 | 108.2 | T235 H240 K241 | T235-R238 WeakPolarHBondContact OG1-CA 3.25Å; T235-R238 PolarHBondContact OG1-N 3.44Å; T235-R238 PolarHBondContact OG1-O 2.58Å; R238-H240 PolarHBondContact O-N 3.44Å; R238-H240 VanDerWaalsContact O-N 3.12Å; R238-K241 PolarHBondContact O-N 3.11Å | ||
| 239 | P | 68.9 | Low | 84.9 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.9 | -173.1 | 21.5 | -32.3 | 0 | 0 | 0 | 113.2 | P224 C234 K241 | P224-P239 WeakPolarHBondContact CD-O 3.41Å; P224-P239 WeakPolarHBondContact CG-O 3.47Å; C234-P239 VanDerWaalsContact CB-O 3.29Å; C234-P239 WeakPolarHBondContact CB-O 3.42Å; P239-K241 PolarHBondContact O-N 3.39Å |
| 240 | H | 72.9 | Confident | 85.5 | Confident | 158 Ų | 158 | 56.9 Ų | 56.9 | 73% | 0.731 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -4.8 | 177.5 | -50.5 | -67.2 | 0 | 0 | 0 | 116.3 | R238 | R238-H240 PolarHBondContact O-N 3.44Å; R238-H240 VanDerWaalsContact O-N 3.12Å |
| 241 | K | 84.2 | Confident | 86 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -120.6 | 133.2 | 180 | -172.1 | 179.1 | -174.6 | -173.9 | 0 | 111.5 | C234 T235 R238 P239 D254 | C234-K241 VanDerWaalsContact CA-O 3.31Å; C234-K241 WeakPolarHBondContact CA-O 3.46Å; T235-K241 HydrophobicContact CG2-CB 4.06Å; T235-K241 HydrophobicContact CG2-CG 4.43Å; T235-K241 WeakPolarHBondContact CG2-O 3.31Å; T235-K241 PolarHBondContact N-O 3.34Å; R238-K241 PolarHBondContact O-N 3.11Å; P239-K241 PolarHBondContact O-N 3.39Å; K241-D254 WeakPolarHBondContact CE-OD1 3.48Å; K241-D254 IonicContact NZ-OD1 3.47Å; K241-D254 PolarHBondContact NZ-OD1 3Å; K241-D254 IonicContact NZ-OD2 2.67Å; K241-D254 PolarHBondContact NZ-OD2 2.97Å |
| 242 | C | 89.3 | Confident | 86.3 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -76.4 | 154.6 | 177.6 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | C227 L232 T233 | C227-C242 WeakPolarHBondContact CA-SG 3.3Å; C227-C242 HydrophobicContact CB-CB 3.87Å; C227-C242 WeakPolarHBondContact CB-SG 3.44Å; C227-C242 WeakPolarHBondContact SG-CA 3.45Å; C227-C242 WeakPolarHBondContact SG-CB 3.08Å; C227-C242 CovalentContact SG-SG 2.04Å; C227-C242 PolarHBondContact SG-SG 3.11Å; L232-C242 HydrophobicContact CB-CB 4.31Å; L232-C242 HydrophobicContact CD1-CB 4.01Å; T233-C242 CarbonylContact O-C 3.45Å; T233-C242 WeakPolarHBondContact O-CA 3.22Å |
| 243 | C | 91.8 | Very high | 86.3 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 169.7 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | T233 C234 C247 C251 | T233-C243 PolarHBondContact O-N 2.86Å; T233-C243 WeakPolarHBondContact OG1-CB 3.42Å; C234-C243 PolarHBondContact O-SG 2.75Å; C234-C243 VanDerWaalsContact O-SG 3.39Å; C243-C247 HydrophobicContact CB-CB 3.85Å; C243-C251 WeakPolarHBondContact CA-SG 3.45Å; C243-C251 HydrophobicContact CB-CB 3.76Å; C243-C251 WeakPolarHBondContact CB-SG 3.49Å; C243-C251 WeakPolarHBondContact SG-CB 2.87Å; C243-C251 PolarHBondContact SG-N 3.4Å; C243-C251 CovalentContact SG-SG 2.03Å; C243-C251 PolarHBondContact SG-SG 3.19Å |
| 244 | H | 93.1 | Very high | 86 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 143.9 | 170.4 | -168.4 | -95.6 | 0 | 0 | 0 | 111.6 | E246 C247 | H244-E246 PolarHBondContact ND1-N 3.03Å; H244-E246 PolarHBondContact O-N 3.13Å; H244-E246 VanDerWaalsContact O-N 3.08Å; H244-C247 VanDerWaalsContact O-CB 3.3Å; H244-C247 WeakPolarHBondContact O-CB 3.32Å; H244-C247 PolarHBondContact O-N 3.29Å |
| 245 | P | 91.6 | Very high | 85.9 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.5 | -176.9 | -27.9 | 35.1 | 0 | 0 | 0 | 116 | L232 C247 K263 | L232-P245 HydrophobicContact CD2-CB 3.91Å; L232-P245 HydrophobicContact CD2-CG 3.86Å; P245-C247 VanDerWaalsContact C-N 3.3Å; P245-C247 PolarHBondContact O-N 3.32Å; P245-K263 VanDerWaalsContact O-CD 3.29Å; P245-K263 WeakPolarHBondContact O-CD 3.31Å |
| 246 | E | 92.8 | Very high | 85.9 | Confident | 34 Ų | 34 | 56 Ų | 56 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.2 | 175.8 | -62.8 | -60.4 | 150 | 0 | 0 | 114.3 | H244 K263 N264 C271 S273 | H244-E246 PolarHBondContact ND1-N 3.03Å; H244-E246 PolarHBondContact O-N 3.13Å; H244-E246 VanDerWaalsContact O-N 3.08Å; E246-K263 WeakPolarHBondContact O-CB 3.32Å; E246-K263 PolarHBondContact O-N 3.41Å; E246-N264 PolarHBondContact OE2-ND2 3.46Å; E246-C271 HydrophobicContact CB-CB 3.66Å; E246-S273 WeakPolarHBondContact OE1-CB 3.41Å; E246-S273 PolarHBondContact OE2-N 3.35Å |
| 247 | C | 92.6 | Very high | 86 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.5 | 178.7 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | T233 C243 H244 P245 C259 | T233-C247 PolarHBondContact OG1-O 3.04Å; C243-C247 HydrophobicContact CB-CB 3.85Å; H244-C247 VanDerWaalsContact O-CB 3.3Å; H244-C247 WeakPolarHBondContact O-CB 3.32Å; H244-C247 PolarHBondContact O-N 3.29Å; P245-C247 VanDerWaalsContact C-N 3.3Å; P245-C247 PolarHBondContact O-N 3.32Å; C247-C259 WeakPolarHBondContact CA-SG 3.44Å; C247-C259 HydrophobicContact CB-CB 3.62Å; C247-C259 WeakPolarHBondContact CB-SG 3.4Å; C247-C259 VanDerWaalsContact SG-CA 3.51Å; C247-C259 WeakPolarHBondContact SG-CB 3.4Å; C247-C259 CovalentContact SG-SG 2.03Å; C247-C259 PolarHBondContact SG-SG 3.21Å |
| 248 | L | 90 | Very high | 86.5 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.4 | 172.4 | -169.3 | 61.9 | 0 | 0 | 0 | 110.9 | L102 V131 G250 A261 K263 | L102-L248 HydrophobicContact CD1-CD2 3.97Å; L102-L248 HydrophobicContact CD1-CG 4.31Å; L102-L248 HydrophobicContact CD2-CD2 3.73Å; L102-L248 HydrophobicContact CD2-CG 4.2Å; V131-L248 HydrophobicContact CG1-CD1 4.27Å; V131-L248 HydrophobicContact CG2-CD1 4.35Å; L248-G250 PolarHBondContact O-N 3.11Å; L248-A261 HydrophobicContact CB-CB 4.4Å; L248-A261 PolarHBondContact N-O 3.17Å; L248-A261 PolarHBondContact O-N 2.98Å; L248-K263 HydrophobicContact CB-CB 4.28Å |
| 249 | A | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | -35.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | T101 L102 R130 V131 | T101-A249 HydrophobicContact CG2-CB 3.78Å; L102-A249 HydrophobicContact CB-CB 4.2Å; R130-A249 HydrophobicContact CB-CB 4.44Å; R130-A249 WeakPolarHBondContact CD-O 3.3Å; R130-A249 PolarHBondContact NH1-O 2.96Å; V131-A249 HydrophobicContact CG2-CB 4.21Å |
| 250 | G | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | -164.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C234 L248 V260 | C234-G250 WeakPolarHBondContact O-CA 3.17Å; L248-G250 PolarHBondContact O-N 3.11Å; G250-V260 PolarHBondContact O-N 2.83Å |
| 251 | C | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 161.8 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | T235 M236 C243 G253 M258 | T235-C251 CarbonylContact C-O 3.57Å; T235-C251 VanDerWaalsContact CA-O 3.24Å; T235-C251 WeakPolarHBondContact CA-O 3.28Å; T235-C251 WeakPolarHBondContact CB-O 3.44Å; M236-C251 PolarHBondContact N-O 3.38Å; C243-C251 WeakPolarHBondContact CA-SG 3.45Å; C243-C251 HydrophobicContact CB-CB 3.76Å; C243-C251 WeakPolarHBondContact CB-SG 3.49Å; C243-C251 WeakPolarHBondContact SG-CB 2.87Å; C243-C251 PolarHBondContact SG-N 3.4Å; C243-C251 CovalentContact SG-SG 2.03Å; C243-C251 PolarHBondContact SG-SG 3.19Å; C251-G253 WeakPolarHBondContact CB-O 3.39Å; C251-G253 PolarHBondContact SG-O 2.98Å; C251-G253 VanDerWaalsContact SG-O 3.39Å; C251-M258 CarbonylContact C-O 3.54Å; C251-M258 VanDerWaalsContact CA-O 3.28Å; C251-M258 WeakPolarHBondContact CA-O 3.36Å; C251-M258 WeakPolarHBondContact CB-O 3.37Å |
| 252 | Y | 89.6 | Confident | 89.6 | Confident | 115 Ų | 115 | 32.2 Ų | 32.2 | 45% | 0.451 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -102.1 | -5.4 | 174.9 | -58.5 | -74.4 | 0 | 0 | 0 | 113 | M236 M258 V260 | M236-Y252 HydrophobicContact CB-CD1 4.26Å; M236-Y252 HydrophobicContact CB-CE1 4.04Å; M236-Y252 HydrophobicContact CG-CD1 4.28Å; M236-Y252 HydrophobicContact CG-CE1 3.86Å; Y252-M258 PolarHBondContact N-O 3.22Å; Y252-V260 HydrophobicContact CD2-CG2 4.32Å; Y252-V260 HydrophobicContact CE2-CB 4.42Å; Y252-V260 HydrophobicContact CE2-CG2 3.66Å |
| 253 | G | 85 | Confident | 89.7 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -175.1 | 178.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | C251 G255 | C251-G253 WeakPolarHBondContact CB-O 3.39Å; C251-G253 PolarHBondContact SG-O 2.98Å; C251-G253 VanDerWaalsContact SG-O 3.39Å; G253-G255 PolarHBondContact O-N 3.4Å |
| 254 | D | 82.7 | Confident | 89.6 | Confident | 100 Ų | 100 | 36.2 Ų | 36.2 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -78 | -21.9 | -162.1 | -58.1 | -3.5 | 0 | 0 | 0 | 114.9 | K241 | K241-D254 WeakPolarHBondContact CE-OD1 3.48Å; K241-D254 IonicContact NZ-OD1 3.47Å; K241-D254 PolarHBondContact NZ-OD1 3Å; K241-D254 IonicContact NZ-OD2 2.67Å; K241-D254 PolarHBondContact NZ-OD2 2.97Å |
| 255 | G | 86.4 | Confident | 89.5 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -89.9 | 160.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G253 S257 M258 | G253-G255 PolarHBondContact O-N 3.4Å; G255-S257 PolarHBondContact O-N 2.9Å; G255-M258 PolarHBondContact O-N 3.33Å |
| 256 | P | 89.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.9 | 177.8 | 23 | -31.8 | 0 | 0 | 0 | 114.8 | R270 C271 | P256-R270 HydrophobicContact CB-CG 3.89Å; P256-R270 HydrophobicContact CG-CG 3.92Å; P256-C271 WeakPolarHBondContact CB-O 3.06Å; P256-C271 PolarHBondContact O-N 2.92Å |
| 257 | S | 87.5 | Confident | 89.3 | Confident | 77 Ų | 77 | 32 Ų | 32 | 54% | 0.538 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.7 | 172.9 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | G255 N269 | G255-S257 PolarHBondContact O-N 2.9Å; S257-N269 VanDerWaalsContact CA-O 3.26Å; S257-N269 WeakPolarHBondContact CA-O 3.39Å; S257-N269 WeakPolarHBondContact CB-O 3.27Å |
| 258 | M | 89 | Confident | 89.1 | Confident | 85 Ų | 85 | 40 Ų | 40 | 42% | 0.419 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -112.1 | 12 | -175.7 | -58.4 | -64.5 | -66.3 | 0 | 0 | 112.8 | C251 Y252 G255 | C251-M258 CarbonylContact C-O 3.54Å; C251-M258 VanDerWaalsContact CA-O 3.28Å; C251-M258 WeakPolarHBondContact CA-O 3.36Å; C251-M258 WeakPolarHBondContact CB-O 3.37Å; Y252-M258 PolarHBondContact N-O 3.22Å; G255-M258 PolarHBondContact O-N 3.33Å |
| 259 | C | 90.8 | Very high | 88.8 | Confident | 16 Ų | 16 | 45 Ų | 45 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 155.9 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | C247 A261 | C247-C259 WeakPolarHBondContact CA-SG 3.44Å; C247-C259 HydrophobicContact CB-CB 3.62Å; C247-C259 WeakPolarHBondContact CB-SG 3.4Å; C247-C259 VanDerWaalsContact SG-CA 3.51Å; C247-C259 WeakPolarHBondContact SG-CB 3.4Å; C247-C259 CovalentContact SG-SG 2.03Å; C247-C259 PolarHBondContact SG-SG 3.21Å; C259-A261 WeakPolarHBondContact CB-O 3.25Å |
| 260 | V | 89.3 | Confident | 88.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -45.1 | 168.5 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | T101 M236 G250 Y252 | T101-V260 HydrophobicContact CG2-CG1 4.05Å; M236-V260 HydrophobicContact CG-CG2 3.63Å; M236-V260 HydrophobicContact SD-CG2 3.86Å; G250-V260 PolarHBondContact O-N 2.83Å; Y252-V260 HydrophobicContact CD2-CG2 4.32Å; Y252-V260 HydrophobicContact CE2-CB 4.42Å; Y252-V260 HydrophobicContact CE2-CG2 3.66Å |
| 261 | A | 90.1 | Very high | 89.1 | Confident | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 161.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E77 L102 L248 C259 | E77-A261 VanDerWaalsContact OE2-CB 3.22Å; E77-A261 WeakPolarHBondContact OE2-CB 3.47Å; L102-A261 HydrophobicContact CD2-CB 3.46Å; L102-A261 VanDerWaalsContact CD2-CB 3.46Å; L248-A261 HydrophobicContact CB-CB 4.4Å; L248-A261 PolarHBondContact N-O 3.17Å; L248-A261 PolarHBondContact O-N 2.98Å; C259-A261 WeakPolarHBondContact CB-O 3.25Å |
| 262 | C | 91.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140 | 175.1 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | R104 M266 C271 | R104-C262 PolarHBondContact NH1-O 3.23Å; R104-C262 PolarHBondContact NH2-O 2.84Å; C262-M266 VanDerWaalsContact SG-CB 3.53Å; C262-C271 WeakPolarHBondContact CA-SG 3.44Å; C262-C271 HydrophobicContact CB-CB 3.64Å; C262-C271 WeakPolarHBondContact CB-SG 3.19Å; C262-C271 WeakPolarHBondContact SG-CA 3.41Å; C262-C271 WeakPolarHBondContact SG-CB 3.45Å; C262-C271 CovalentContact SG-SG 2.03Å; C262-C271 PolarHBondContact SG-SG 3.26Å |
| 263 | K | 89.5 | Confident | 89.3 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -66.5 | -46 | 174.1 | -168.5 | 170.7 | -169.4 | 168.3 | 0 | 110.8 | N231 P245 E246 L248 | N231-K263 PolarHBondContact O-NZ 2.96Å; N231-K263 PolarHBondContact OD1-NZ 3.06Å; P245-K263 VanDerWaalsContact O-CD 3.29Å; P245-K263 WeakPolarHBondContact O-CD 3.31Å; E246-K263 WeakPolarHBondContact O-CB 3.32Å; E246-K263 PolarHBondContact O-N 3.41Å; L248-K263 HydrophobicContact CB-CB 4.28Å |
| 264 | N | 89.8 | Confident | 89.6 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -102.2 | -88.4 | 176 | -66.5 | -60.9 | 0 | 0 | 0 | 111.4 | E246 V272 S273 | E246-N264 PolarHBondContact OE2-ND2 3.46Å; N264-V272 WeakPolarHBondContact CB-O 3.27Å; N264-S273 WeakPolarHBondContact CB-O 3.21Å |
| 265 | V | 90.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150 | -177.7 | -70.2 | 0 | 0 | 0 | 0 | 112.8 | C271 V272 K281 R285 C287 | V265-C271 WeakPolarHBondContact O-CA 3.29Å; V265-V272 HydrophobicContact CG2-CG2 3.91Å; V265-V272 WeakPolarHBondContact CG2-O 3.49Å; V265-V272 PolarHBondContact N-O 2.8Å; V265-V272 VanDerWaalsContact N-O 3.14Å; V265-V272 PolarHBondContact O-N 3.11Å; V265-V272 VanDerWaalsContact O-O 3.1Å; V265-K281 HydrophobicContact CG1-CD 4.29Å; V265-K281 HydrophobicContact CG1-CG 3.83Å; V265-R285 CarbonylContact C-O 3.59Å; V265-R285 WeakPolarHBondContact CA-O 3.3Å; V265-C287 VanDerWaalsContact CG2-SG 3.52Å |
| 266 | M | 90.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.5 | 169.9 | -168.3 | 168.6 | 59 | 0 | 0 | 111.8 | E32 C262 R285 R286 C287 | E32-M266 WeakPolarHBondContact OE1-CE 3.38Å; C262-M266 VanDerWaalsContact SG-CB 3.53Å; M266-R285 PolarHBondContact N-O 3.4Å; M266-R286 HydrophobicContact CB-CB 4.29Å; M266-R286 CarbonylContact O-C 3.49Å; M266-R286 WeakPolarHBondContact O-CA 3.45Å; M266-C287 PolarHBondContact O-N 3.09Å |
| 267 | H | 91 | Very high | 90.2 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129.1 | 170.5 | 179.4 | 84.1 | 0 | 0 | 0 | 108.4 | N269 R270 V272 C287 | H267-N269 VanDerWaalsContact C-N 3.34Å; H267-N269 PolarHBondContact O-N 2.93Å; H267-R270 PolarHBondContact N-O 3.04Å; H267-R270 WeakPolarHBondContact O-CA 3.27Å; H267-R270 WeakPolarHBondContact O-CB 3.11Å; H267-R270 PolarHBondContact O-N 2.78Å; H267-V272 HydrophobicContact CB-CG2 4.04Å; H267-C287 HydrophobicContact CB-CB 4.11Å |
| 268 | E | 86.6 | Confident | 90.1 | Very high | 170 Ų | 170 | 58.6 Ų | 58.6 | 79% | 0.794 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 47.5 | 180 | -60.7 | -169.5 | 152.3 | 0 | 0 | 114.9 | R270 | E268-R270 PolarHBondContact O-N 3.21Å; E268-R270 VanDerWaalsContact O-N 3.17Å |
| 269 | N | 84.2 | Confident | 90.3 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20.8 | -174.6 | -59.3 | -30.7 | 0 | 0 | 0 | 114.9 | S257 H267 | S257-N269 VanDerWaalsContact CA-O 3.26Å; S257-N269 WeakPolarHBondContact CA-O 3.39Å; S257-N269 WeakPolarHBondContact CB-O 3.27Å; H267-N269 VanDerWaalsContact C-N 3.34Å; H267-N269 PolarHBondContact O-N 2.93Å |
| 270 | R | 91.7 | Very high | 90.2 | Very high | 141 Ų | 141 | 56.5 Ų | 56.5 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.9 | 175.7 | -176.1 | 178.3 | 176.9 | 140.1 | -0.4 | 110.3 | P256 H267 E268 V272 | P256-R270 HydrophobicContact CB-CG 3.89Å; P256-R270 HydrophobicContact CG-CG 3.92Å; H267-R270 PolarHBondContact N-O 3.04Å; H267-R270 WeakPolarHBondContact O-CA 3.27Å; H267-R270 WeakPolarHBondContact O-CB 3.11Å; H267-R270 PolarHBondContact O-N 2.78Å; E268-R270 PolarHBondContact O-N 3.21Å; E268-R270 VanDerWaalsContact O-N 3.17Å; R270-V272 HydrophobicContact CG-CG1 4.25Å |
| 271 | C | 93.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 131 | 171.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | E246 P256 C262 V265 | E246-C271 HydrophobicContact CB-CB 3.66Å; P256-C271 WeakPolarHBondContact CB-O 3.06Å; P256-C271 PolarHBondContact O-N 2.92Å; C262-C271 WeakPolarHBondContact CA-SG 3.44Å; C262-C271 HydrophobicContact CB-CB 3.64Å; C262-C271 WeakPolarHBondContact CB-SG 3.19Å; C262-C271 WeakPolarHBondContact SG-CA 3.41Å; C262-C271 WeakPolarHBondContact SG-CB 3.45Å; C262-C271 CovalentContact SG-SG 2.03Å; C262-C271 PolarHBondContact SG-SG 3.26Å; V265-C271 WeakPolarHBondContact O-CA 3.29Å |
| 272 | V | 93.7 | Very high | 90.1 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 153.8 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | N264 V265 H267 R270 Q274 | N264-V272 WeakPolarHBondContact CB-O 3.27Å; V265-V272 HydrophobicContact CG2-CG2 3.91Å; V265-V272 WeakPolarHBondContact CG2-O 3.49Å; V265-V272 PolarHBondContact N-O 2.8Å; V265-V272 VanDerWaalsContact N-O 3.14Å; V265-V272 PolarHBondContact O-N 3.11Å; V265-V272 VanDerWaalsContact O-O 3.1Å; H267-V272 HydrophobicContact CB-CG2 4.04Å; R270-V272 HydrophobicContact CG-CG1 4.25Å; V272-Q274 VanDerWaalsContact CG2-O 3.28Å; V272-Q274 WeakPolarHBondContact CG2-O 3.16Å |
| 273 | S | 91.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 63 Ų | 63 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -70 | -33.7 | -175.2 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | E246 N264 | E246-S273 WeakPolarHBondContact OE1-CB 3.41Å; E246-S273 PolarHBondContact OE2-N 3.35Å; N264-S273 WeakPolarHBondContact CB-O 3.21Å |
| 274 | Q | 91.8 | Very high | 89.3 | Confident | 155 Ų | 155 | 64.4 Ų | 64.4 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -142.7 | 155.9 | 179.2 | -61.8 | -175.3 | 3.8 | 0 | 0 | 110 | V272 | V272-Q274 VanDerWaalsContact CG2-O 3.28Å; V272-Q274 WeakPolarHBondContact CG2-O 3.16Å |
| 275 | C | 92.7 | Very high | 89.2 | Confident | 31 Ų | 31 | 62 Ų | 62 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -72 | 134.1 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | T279 C287 | C275-T279 WeakPolarHBondContact CB-OG1 3.4Å; C275-C287 WeakPolarHBondContact CA-SG 3.29Å; C275-C287 HydrophobicContact CB-CB 3.83Å; C275-C287 WeakPolarHBondContact CB-SG 3.48Å; C275-C287 VanDerWaalsContact SG-CA 3.52Å; C275-C287 WeakPolarHBondContact SG-CB 3.06Å; C275-C287 CovalentContact SG-SG 2.04Å; C275-C287 PolarHBondContact SG-SG 2.99Å |
| 276 | P | 91.7 | Very high | 89.2 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 153.5 | 173.7 | -26.4 | 36.8 | 0 | 0 | 0 | 112.9 | G278 T279 | P276-G278 PolarHBondContact O-N 3.37Å; P276-T279 PolarHBondContact O-N 2.98Å; P276-T279 PolarHBondContact O-OG1 3.3Å |
| 277 | G | 87.4 | Confident | 89.2 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 134.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 278 | G | 85.5 | Confident | 89.1 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -0.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P276 | P276-G278 PolarHBondContact O-N 3.37Š|
| 279 | T | 91.7 | Very high | 89.3 | Confident | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151.9 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | C275 P276 V288 T289 | C275-T279 WeakPolarHBondContact CB-OG1 3.4Å; P276-T279 PolarHBondContact O-N 2.98Å; P276-T279 PolarHBondContact O-OG1 3.3Å; T279-V288 CarbonylContact C-O 3.54Å; T279-V288 VanDerWaalsContact CA-O 3.27Å; T279-V288 WeakPolarHBondContact CA-O 3.22Å; T279-V288 WeakPolarHBondContact CB-O 3.36Å; T279-T289 HydrophobicContact CG2-CG2 4.17Å |
| 280 | F | 90.5 | Very high | 89.3 | Confident | 37 Ų | 37 | 55 Ų | 55 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.9 | -168.8 | -54.3 | -77.1 | 0 | 0 | 0 | 111.7 | Y282 C287 V288 E290 I335 G338 C340 | F280-Y282 PolarHBondContact O-N 2.69Å; F280-C287 WeakPolarHBondContact O-CA 3.39Å; F280-V288 PolarHBondContact N-O 3.02Å; F280-V288 PolarHBondContact O-N 2.79Å; F280-E290 HydrophobicContact CE2-CB 3.91Å; F280-I335 HydrophobicContact CD1-CG2 3.5Å; F280-I335 HydrophobicContact CD2-CD1 3.97Å; F280-I335 HydrophobicContact CD2-CG1 4.33Å; F280-I335 HydrophobicContact CD2-CG2 4.39Å; F280-I335 HydrophobicContact CE1-CG2 3.45Å; F280-I335 VanDerWaalsContact CE1-CG2 3.45Å; F280-I335 HydrophobicContact CE2-CD1 3.72Å; F280-I335 HydrophobicContact CE2-CG1 4.47Å; F280-I335 HydrophobicContact CE2-CG2 4.35Å; F280-I335 HydrophobicContact CG-CG1 4.5Å; F280-I335 HydrophobicContact CG-CG2 3.99Å; F280-I335 HydrophobicContact CZ-CD1 4.09Å; F280-I335 HydrophobicContact CZ-CG2 3.9Å; F280-G338 CarbonylContact C-O 3.54Å; F280-G338 WeakPolarHBondContact CA-O 3.39Å; F280-C340 HydrophobicContact CB-CB 4.32Å |
| 281 | K | 90 | Very high | 88.8 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 118 | -178.8 | -169.6 | 176.7 | -151.8 | -157.3 | 0 | 111.1 | V265 N284 G338 S339 C340 | V265-K281 HydrophobicContact CG1-CD 4.29Å; V265-K281 HydrophobicContact CG1-CG 3.83Å; K281-N284 WeakPolarHBondContact CD-OD1 3.23Å; K281-N284 WeakPolarHBondContact CE-OD1 3.31Å; K281-N284 PolarHBondContact NZ-OD1 3.15Å; K281-G338 PolarHBondContact N-O 3.44Å; K281-S339 CarbonylContact O-C 3.58Å; K281-S339 WeakPolarHBondContact O-CA 3.46Å; K281-C340 PolarHBondContact O-N 3.37Å |
| 282 | Y | 87.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 175.7 | -176.2 | -107.7 | 0 | 0 | 0 | 110.7 | F280 N284 R285 R286 V288 F297 F333 C340 | F280-Y282 PolarHBondContact O-N 2.69Å; Y282-N284 PolarHBondContact O-N 2.79Å; Y282-R285 PolarHBondContact O-N 3.24Å; Y282-R286 HydrophobicContact CD1-CG 4.25Å; Y282-R286 PolarHBondContact N-O 2.89Å; Y282-R286 PolarHBondContact O-N 3.04Å; Y282-R286 VanDerWaalsContact O-N 3.16Å; Y282-V288 HydrophobicContact CG-CG1 4.3Å; Y282-F297 HydrophobicContact CD1-CZ 4.49Å; Y282-F297 AromaticContact CE1-CE1 3.99Å; Y282-F297 HydrophobicContact CE1-CE1 3.99Å; Y282-F297 HydrophobicContact CE1-CZ 4.15Å; Y282-F333 HydrophobicContact CE2-CD1 4.28Å; Y282-F333 AromaticContact CE2-CE1 3.73Å; Y282-F333 HydrophobicContact CE2-CE1 3.73Å; Y282-F333 HydrophobicContact CE2-CZ 4.38Å; Y282-C340 HydrophobicContact CD2-CB 4.14Å |
| 283 | L | 79 | Confident | 87.9 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44 | 33.9 | -178.7 | -67.1 | 178.7 | 0 | 0 | 0 | 114.9 | E56 Q106 R285 | E56-L283 HydrophobicContact CB-CD1 3.79Å; E56-L283 HydrophobicContact CG-CD1 3.78Å; Q106-L283 PolarHBondContact NE2-O 3.3Å; L283-R285 HydrophobicContact CB-CB 4.41Å; L283-R285 VanDerWaalsContact O-CB 3.27Å; L283-R285 WeakPolarHBondContact O-CB 3.46Å; L283-R285 PolarHBondContact O-N 3.21Å |
| 284 | N | 83.5 | Confident | 87.3 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 31.1 | -172.9 | -80.4 | -34 | 0 | 0 | 0 | 114.1 | K281 Y282 | K281-N284 WeakPolarHBondContact CD-OD1 3.23Å; K281-N284 WeakPolarHBondContact CE-OD1 3.31Å; K281-N284 PolarHBondContact NZ-OD1 3.15Å; Y282-N284 PolarHBondContact O-N 2.79Å |
| 285 | R | 88.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | -44.6 | -164.7 | 173.2 | -176.1 | 153.8 | 58.6 | 20.4 | 113.5 | E32 E56 E77 V265 M266 Y282 L283 | E32-R285 IonicContact OE1-CZ 3.94Å; E32-R285 IonicContact OE1-NH2 2.66Å; E32-R285 PolarHBondContact OE1-NH2 3.22Å; E32-R285 IonicContact OE2-CZ 3.93Å; E32-R285 IonicContact OE2-NH2 3.72Å; E32-R285 PolarHBondContact OE2-NH2 2.91Å; E56-R285 WeakPolarHBondContact OE1-CD 3.36Å; E56-R285 IonicContact OE1-NE 3.77Å; E56-R285 PolarHBondContact OE1-NE 2.66Å; E77-R285 IonicContact OE1-CZ 2.84Å; E77-R285 IonicContact OE1-NH1 3.93Å; E77-R285 PolarHBondContact OE1-NH1 2.78Å; E77-R285 IonicContact OE2-NH1 3.59Å; E77-R285 PolarHBondContact OE2-NH1 3.27Å; V265-R285 CarbonylContact C-O 3.59Å; V265-R285 WeakPolarHBondContact CA-O 3.3Å; M266-R285 PolarHBondContact N-O 3.4Å; Y282-R285 PolarHBondContact O-N 3.24Å; L283-R285 HydrophobicContact CB-CB 4.41Å; L283-R285 VanDerWaalsContact O-CB 3.27Å; L283-R285 WeakPolarHBondContact O-CB 3.46Å; L283-R285 PolarHBondContact O-N 3.21Å |
| 286 | R | 90.8 | Very high | 84.6 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 157.2 | -175.6 | 55.6 | -179.7 | 171.2 | 133.2 | -3.8 | 112.3 | E56 M266 Y282 | E56-R286 IonicContact OE1-CZ 3.71Å; E56-R286 IonicContact OE1-NE 2.71Å; E56-R286 PolarHBondContact OE1-NE 2.93Å; E56-R286 IonicContact OE1-NH2 3.7Å; E56-R286 PolarHBondContact OE1-NH2 3.19Å; E56-R286 IonicContact OE2-CZ 2.76Å; E56-R286 IonicContact OE2-NE 3.76Å; E56-R286 IonicContact OE2-NH2 3.17Å; E56-R286 PolarHBondContact OE2-NH2 2.85Å; M266-R286 HydrophobicContact CB-CB 4.29Å; M266-R286 CarbonylContact O-C 3.49Å; M266-R286 WeakPolarHBondContact O-CA 3.45Å; Y282-R286 HydrophobicContact CD1-CG 4.25Å; Y282-R286 PolarHBondContact N-O 2.89Å; Y282-R286 PolarHBondContact O-N 3.04Å; Y282-R286 VanDerWaalsContact O-N 3.16Å |
| 287 | C | 92.4 | Very high | 82.8 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.3 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | V265 M266 H267 C275 F280 | V265-C287 VanDerWaalsContact CG2-SG 3.52Å; M266-C287 PolarHBondContact O-N 3.09Å; H267-C287 HydrophobicContact CB-CB 4.11Å; C275-C287 WeakPolarHBondContact CA-SG 3.29Å; C275-C287 HydrophobicContact CB-CB 3.83Å; C275-C287 WeakPolarHBondContact CB-SG 3.48Å; C275-C287 VanDerWaalsContact SG-CA 3.52Å; C275-C287 WeakPolarHBondContact SG-CB 3.06Å; C275-C287 CovalentContact SG-SG 2.04Å; C275-C287 PolarHBondContact SG-SG 2.99Å; F280-C287 WeakPolarHBondContact O-CA 3.39Å |
| 288 | V | 89.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.5 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | T279 F280 Y282 Q292 C293 F297 C340 | T279-V288 CarbonylContact C-O 3.54Å; T279-V288 VanDerWaalsContact CA-O 3.27Å; T279-V288 WeakPolarHBondContact CA-O 3.22Å; T279-V288 WeakPolarHBondContact CB-O 3.36Å; F280-V288 PolarHBondContact N-O 3.02Å; F280-V288 PolarHBondContact O-N 2.79Å; Y282-V288 HydrophobicContact CG-CG1 4.3Å; V288-Q292 HydrophobicContact CB-CB 3.92Å; V288-C293 HydrophobicContact CG2-CB 3.97Å; V288-F297 HydrophobicContact CG1-CE2 4.1Å; V288-F297 HydrophobicContact CG1-CZ 4.26Å; V288-C340 HydrophobicContact CG2-CB 3.83Å |
| 289 | T | 89.1 | Confident | 78.2 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 164.3 | 171.5 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | T279 Y291 Q292 C293 | T279-T289 HydrophobicContact CG2-CG2 4.17Å; T289-Y291 VanDerWaalsContact C-N 3.27Å; T289-Y291 PolarHBondContact O-N 2.8Å; T289-Q292 PolarHBondContact O-N 3.38Å; T289-Q292 VanDerWaalsContact O-N 3.12Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.16Å; T289-Q292 PolarHBondContact OG1-N 2.81Å; T289-Q292 VanDerWaalsContact OG1-N 3.1Å; T289-C293 PolarHBondContact O-N 3.36Å |
| 290 | E | 85 | Confident | 75.4 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -48.4 | -51.1 | 169.6 | -173.2 | 168.2 | -150.1 | 0 | 0 | 111.5 | F280 Q292 C293 L294 I335 | F280-E290 HydrophobicContact CE2-CB 3.91Å; E290-Q292 PolarHBondContact O-N 2.83Å; E290-C293 PolarHBondContact O-N 2.94Å; E290-L294 HydrophobicContact CG-CD1 3.91Å; E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 WeakPolarHBondContact O-CG 3.42Å; E290-L294 PolarHBondContact O-N 3.03Å; E290-I335 HydrophobicContact CB-CD1 4.45Å; E290-I335 HydrophobicContact CG-CD1 3.88Å |
| 291 | Y | 81.6 | Confident | 72.6 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.1 | 179.4 | -104.5 | 0 | 0 | 0 | 112.7 | T289 L294 T295 M326 | T289-Y291 VanDerWaalsContact C-N 3.27Å; T289-Y291 PolarHBondContact O-N 2.8Å; Y291-L294 PolarHBondContact O-N 3.3Å; Y291-T295 HydrophobicContact CD2-CG2 3.8Å; Y291-T295 HydrophobicContact CE2-CG2 3.66Å; Y291-T295 WeakPolarHBondContact CE2-OG1 3.35Å; Y291-T295 VanDerWaalsContact CZ-OG1 3.32Å; Y291-T295 WeakPolarHBondContact O-CB 3.3Å; Y291-T295 PolarHBondContact O-N 3.4Å; Y291-T295 PolarHBondContact O-OG1 3.02Å; Y291-M326 HydrophobicContact CD2-CE 4.41Å; Y291-M326 HydrophobicContact CD2-SD 4.49Å; Y291-M326 HydrophobicContact CE2-CE 3.57Å; Y291-M326 HydrophobicContact CE2-SD 4.01Å |
| 292 | Q | 82.5 | Confident | 70 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 179.1 | -76 | 177.5 | -41.4 | 0 | 0 | 111.8 | V288 T289 E290 L294 Q296 F297 | V288-Q292 HydrophobicContact CB-CB 3.92Å; T289-Q292 PolarHBondContact O-N 3.38Å; T289-Q292 VanDerWaalsContact O-N 3.12Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.16Å; T289-Q292 PolarHBondContact OG1-N 2.81Å; T289-Q292 VanDerWaalsContact OG1-N 3.1Å; E290-Q292 PolarHBondContact O-N 2.83Å; Q292-L294 PolarHBondContact O-N 2.98Å; Q292-Q296 PolarHBondContact O-N 2.68Å; Q292-F297 VanDerWaalsContact O-CD2 3.29Å; Q292-F297 WeakPolarHBondContact O-CD2 3.39Å |
| 293 | C | 84.2 | Confident | 67.8 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.4 | -49 | 176.2 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | V288 T289 E290 F333 I335 C340 | V288-C293 HydrophobicContact CG2-CB 3.97Å; T289-C293 PolarHBondContact O-N 3.36Å; E290-C293 PolarHBondContact O-N 2.94Å; C293-F333 VanDerWaalsContact O-CB 3.22Å; C293-F333 WeakPolarHBondContact O-CB 3.33Å; C293-I335 HydrophobicContact CB-CG1 4.45Å; C293-C340 VanDerWaalsContact CA-SG 3.56Å; C293-C340 HydrophobicContact CB-CB 3.91Å; C293-C340 WeakPolarHBondContact CB-SG 3.44Å; C293-C340 WeakPolarHBondContact SG-CB 3.22Å; C293-C340 CovalentContact SG-SG 2.04Å; C293-C340 PolarHBondContact SG-SG 3.09Å |
| 294 | L | 79.2 | Confident | 65.9 | Low | 29 Ų | 29 | 76.5 Ų | 76.5 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -87.2 | -7.3 | -170.7 | -59.6 | 179.6 | 0 | 0 | 0 | 114.9 | E290 Y291 Q292 S331 I335 | E290-L294 HydrophobicContact CG-CD1 3.91Å; E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 WeakPolarHBondContact O-CG 3.42Å; E290-L294 PolarHBondContact O-N 3.03Å; Y291-L294 PolarHBondContact O-N 3.3Å; Q292-L294 PolarHBondContact O-N 2.98Å; L294-S331 WeakPolarHBondContact O-CB 3Å; L294-S331 PolarHBondContact O-OG 3.07Å; L294-I335 HydrophobicContact CD1-CD1 4.1Å; L294-I335 HydrophobicContact CD2-CD1 4.31Å; L294-I335 HydrophobicContact CD2-CG1 4.35Å; L294-I335 HydrophobicContact CG-CD1 4.14Å |
| 295 | T | 67.9 | Low | 63.6 | Low | 35 Ų | 35 | 78.6 Ų | 78.6 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -135.5 | -22.9 | -177.4 | 71 | 0 | 0 | 0 | 0 | 116.7 | Y291 P298 | Y291-T295 HydrophobicContact CD2-CG2 3.8Å; Y291-T295 HydrophobicContact CE2-CG2 3.66Å; Y291-T295 WeakPolarHBondContact CE2-OG1 3.35Å; Y291-T295 VanDerWaalsContact CZ-OG1 3.32Å; Y291-T295 WeakPolarHBondContact O-CB 3.3Å; Y291-T295 PolarHBondContact O-N 3.4Å; Y291-T295 PolarHBondContact O-OG1 3.02Å; T295-P298 WeakPolarHBondContact O-CD 3.46Å |
| 296 | Q | 59.6 | Low | 60.8 | Low | 120 Ų | 120 | 83.8 Ų | 83.8 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -102.7 | -0.2 | -167 | -100.5 | -174.2 | -5.1 | 0 | 0 | 116.3 | Q292 | Q292-Q296 PolarHBondContact O-N 2.68Š|
| 297 | F | 55.1 | Low | 57.9 | Low | 53 Ų | 53 | 89.6 Ų | 89.6 | 23% | 0.232 | 47% | 0.47 | C | S | . | . | trans | -109.4 | 0.7 | -179.1 | -67.1 | -77.8 | 0 | 0 | 0 | 118.7 | Y282 V288 Q292 F333 | Y282-F297 HydrophobicContact CD1-CZ 4.49Å; Y282-F297 AromaticContact CE1-CE1 3.99Å; Y282-F297 HydrophobicContact CE1-CE1 3.99Å; Y282-F297 HydrophobicContact CE1-CZ 4.15Å; V288-F297 HydrophobicContact CG1-CE2 4.1Å; V288-F297 HydrophobicContact CG1-CZ 4.26Å; Q292-F297 VanDerWaalsContact O-CD2 3.29Å; Q292-F297 WeakPolarHBondContact O-CD2 3.39Å; F297-F333 HydrophobicContact CB-CD2 3.64Å; F297-F333 HydrophobicContact CB-CE2 3.42Å; F297-F333 VanDerWaalsContact CB-CE2 3.42Å; F297-F333 HydrophobicContact CB-CG 4.42Å; F297-F333 HydrophobicContact CB-CZ 4.05Å | ||
| 298 | P | 39.3 | Very low | 54.9 | Low | 40 Ų | 40 | 96.8 Ų | 96.8 | 26% | 0.26 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -79.4 | 133.1 | 167.7 | 32.6 | -30.6 | 0 | 0 | 0 | 111.5 | T295 L300 | T295-P298 WeakPolarHBondContact O-CD 3.46Å; P298-L300 PolarHBondContact O-N 3.19Å |
| 299 | N | 36.3 | Very low | 52.1 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 83% | 0.829 | 54% | 0.537 | S | S | * | . | trans | -15 | 98 | 175.5 | -61.3 | -50.4 | 0 | 0 | 0 | 117.8 | ||||
| 300 | L | 32.5 | Very low | 49.4 | Very low | 172 Ų | 172 | 105.9 Ų | 105.9 | 90% | 0.901 | 56% | 0.559 | S | S | * | * | trans | -123 | 90.7 | 160 | -88.2 | 170.4 | 0 | 0 | 0 | 110.8 | P298 | P298-L300 PolarHBondContact O-N 3.19Š| ||
| 301 | T | 32.2 | Very low | 47.1 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | trans | -71.4 | 125.5 | 168.5 | 17.5 | 0 | 0 | 0 | 0 | 110.3 | A303 D304 | T301-A303 PolarHBondContact O-N 2.82Å; T301-D304 WeakPolarHBondContact CB-OD2 3.45Å; T301-D304 PolarHBondContact O-N 2.96Å; T301-D304 PolarHBondContact OG1-OD2 3.18Å | ||
| 302 | Y | 36.3 | Very low | 44.9 | Very low | 224 Ų | 224 | 111.9 Ų | 111.9 | 88% | 0.878 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 34 | 175.3 | -161.2 | -100.4 | 0 | 0 | 0 | 112.9 | ||
| 303 | A | 40.4 | Very low | 42.5 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 72% | 0.719 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -14.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T301 | T301-A303 PolarHBondContact O-N 2.82Š|
| 304 | D | 38 | Very low | 40.1 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | trans | -106.9 | 19.4 | -172.9 | -56.5 | -75.2 | 0 | 0 | 0 | 113.1 | T301 P306 | T301-D304 WeakPolarHBondContact CB-OD2 3.45Å; T301-D304 PolarHBondContact O-N 2.96Å; T301-D304 PolarHBondContact OG1-OD2 3.18Å; D304-P306 VanDerWaalsContact O-CD 3.32Å; D304-P306 WeakPolarHBondContact O-CD 3.43Å | ||
| 305 | L | 35.5 | Very low | 37.9 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | trans | -93 | 105.4 | 169.4 | -84.4 | 165.6 | 0 | 0 | 0 | 109.6 | ||||
| 306 | P | 29.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -72.6 | 140.8 | 176.7 | 30.7 | -34.6 | 0 | 0 | 0 | 111 | D304 M308 | D304-P306 VanDerWaalsContact O-CD 3.32Å; D304-P306 WeakPolarHBondContact O-CD 3.43Å; P306-M308 PolarHBondContact O-N 2.9Å | ||
| 307 | N | 29.8 | Very low | 34.9 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 91% | 0.914 | 72% | 0.717 | S | S | * | * | trans | -14.7 | 86.6 | 175.1 | -69.7 | -9 | 0 | 0 | 0 | 116.5 | ||||
| 308 | M | 29.5 | Very low | 33.7 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -92.7 | 97.1 | 155 | -170.1 | 170.7 | -174.7 | 0 | 0 | 107.1 | P306 | P306-M308 PolarHBondContact O-N 2.9Š| ||
| 309 | S | 31.3 | Very low | 33.4 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -60.8 | 150.5 | -179 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | H311 | S309-H311 PolarHBondContact O-N 3.12Š| ||
| 310 | D | 31 | Very low | 33.1 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | 128.5 | 171.9 | -57.4 | -82.1 | 0 | 0 | 0 | 111.5 | ||
| 311 | H | 36.4 | Very low | 33 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166 | -20.6 | 144.4 | -90.4 | -56.8 | 0 | 0 | 0 | 114.3 | S309 | S309-H311 PolarHBondContact O-N 3.12Š|
| 312 | H | 36.2 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -112.2 | 39.4 | -163.6 | -75.5 | -71.5 | 0 | 0 | 0 | 117.3 | ||||
| 313 | A | 31.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -111.7 | -4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S315 | A313-S315 PolarHBondContact O-N 3.05Š| ||
| 314 | N | 34.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -89 | 12.8 | -174.7 | -88.9 | -2.6 | 0 | 0 | 0 | 115.3 | ||
| 315 | S | 32.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | trans | -143.7 | 95.2 | 177 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | A313 | A313-S315 PolarHBondContact O-N 3.05Š| ||
| 316 | F | 33.9 | Very low | 34 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -169.8 | 57.1 | 148.5 | -98 | -59.1 | 0 | 0 | 0 | 110.7 | ||||
| 317 | S | 30.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -80.1 | 134.5 | 162.8 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 318 | N | 30.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 79 | 144.9 | 172.7 | -52.2 | -21.2 | 0 | 0 | 0 | 117.8 | ||
| 319 | H | 32.8 | Very low | 35.9 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 70.6 | 105.3 | 166.4 | -58.1 | -64.6 | 0 | 0 | 0 | 120.4 | ||||
| 320 | S | 29.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 49.5 | 94.3 | 138.6 | 58 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 321 | F | 31.6 | Very low | 38 | Very low | 181 Ų | 181 | 132 Ų | 132 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | trans | -86.3 | 143.1 | 153.3 | -87.6 | -98.8 | 0 | 0 | 0 | 111 | ||||
| 322 | P | 33.6 | Very low | 39.4 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | trans | -77.9 | 151.9 | -169.1 | 30.7 | -36.1 | 0 | 0 | 0 | 113.7 | D324 I325 | P322-D324 PolarHBondContact O-N 2.94Å; P322-I325 HydrophobicContact CG-CD1 3.89Å; P322-I325 HydrophobicContact CG-CG1 4.23Å | ||
| 323 | R | 40.7 | Very low | 41.4 | Very low | 224 Ų | 224 | 122 Ų | 122 | 85% | 0.845 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -66.1 | -26.8 | -178.8 | -62.3 | -174.3 | -174.9 | -158.3 | 1.4 | 112.7 | I325 M326 | R323-I325 PolarHBondContact O-N 2.99Å; R323-M326 PolarHBondContact O-N 2.95Å; R323-M326 VanDerWaalsContact O-N 3.17Å |
| 324 | D | 45 | Very low | 44 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -70.2 | -15.7 | -168.1 | -44.7 | -73.8 | 0 | 0 | 0 | 113.7 | P322 | P322-D324 PolarHBondContact O-N 2.94Š|
| 325 | I | 43 | Very low | 46.6 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 56% | 0.564 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -81 | -27.3 | 177 | -61.7 | 175.9 | 0 | 0 | 0 | 111.6 | P322 R323 A327 | P322-I325 HydrophobicContact CG-CD1 3.89Å; P322-I325 HydrophobicContact CG-CG1 4.23Å; R323-I325 PolarHBondContact O-N 2.99Å; I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 3.48Å |
| 326 | M | 40.1 | Very low | 49.3 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 57% | 0.567 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -70.1 | -22.1 | 178.8 | -68.1 | -169.8 | 179.5 | 0 | 0 | 113 | Y291 R323 K328 | Y291-M326 HydrophobicContact CD2-CE 4.41Å; Y291-M326 HydrophobicContact CD2-SD 4.49Å; Y291-M326 HydrophobicContact CE2-CE 3.57Å; Y291-M326 HydrophobicContact CE2-SD 4.01Å; R323-M326 PolarHBondContact O-N 2.95Å; R323-M326 VanDerWaalsContact O-N 3.17Å; M326-K328 PolarHBondContact O-N 3.06Å |
| 327 | A | 41.8 | Very low | 51.8 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 79% | 0.793 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -72 | 6.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I325 | I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 3.48Å |
| 328 | K | 43.3 | Very low | 54.4 | Low | 194 Ų | 194 | 102.5 Ų | 102.5 | 84% | 0.843 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -124.9 | 7.8 | -172 | -131 | 175.2 | -173.8 | 177.4 | 0 | 115.1 | M326 | M326-K328 PolarHBondContact O-N 3.06Š|
| 329 | I | 44.5 | Very low | 57.2 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | trans | -111.9 | 94.8 | 175.5 | -56.5 | 175 | 0 | 0 | 0 | 107.5 | S331 | I329-S331 PolarHBondContact O-N 3.24Š| ||
| 330 | D | 50.1 | Low | 59.9 | Low | 143 Ų | 143 | 90 Ų | 90 | 77% | 0.765 | 48% | 0.479 | S | S | * | . | trans | -79.4 | 109.9 | 173.1 | -166.5 | 20.6 | 0 | 0 | 0 | 109.6 | K350 | D330-K350 IonicContact OD1-NZ 3.33Å; D330-K350 PolarHBondContact OD1-NZ 3.46Å | ||
| 331 | S | 56.3 | Low | 62.6 | Low | 7 Ų | 7 | 87.7 Ų | 87.7 | 5% | 0.049 | 46% | 0.458 | C | S | . | . | trans | -90.3 | 138.1 | 178.5 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | L294 I329 F333 K350 | L294-S331 WeakPolarHBondContact O-CB 3Å; L294-S331 PolarHBondContact O-OG 3.07Å; I329-S331 PolarHBondContact O-N 3.24Å; S331-F333 PolarHBondContact O-N 3.13Å; S331-K350 PolarHBondContact O-NZ 3.08Å | ||
| 332 | D | 65.7 | Low | 64.7 | Low | 105 Ų | 105 | 82.5 Ų | 82.5 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -60.8 | -16.1 | 174.2 | -59.8 | -61.1 | 0 | 0 | 0 | 113.1 | S342 | D332-S342 CarbonylContact O-C 3.53Å; D332-S342 VanDerWaalsContact O-O 3.11Å |
| 333 | F | 77.9 | Confident | 66.7 | Low | 25 Ų | 25 | 84.8 Ų | 84.8 | 11% | 0.11 | 45% | 0.452 | C | S | . | . | trans | -86.8 | 149.5 | -174.4 | -70.5 | -85.8 | 0 | 0 | 0 | 113.8 | Y282 C293 F297 S331 L341 | Y282-F333 HydrophobicContact CE2-CD1 4.28Å; Y282-F333 AromaticContact CE2-CE1 3.73Å; Y282-F333 HydrophobicContact CE2-CE1 3.73Å; Y282-F333 HydrophobicContact CE2-CZ 4.38Å; C293-F333 VanDerWaalsContact O-CB 3.22Å; C293-F333 WeakPolarHBondContact O-CB 3.33Å; F297-F333 HydrophobicContact CB-CD2 3.64Å; F297-F333 HydrophobicContact CB-CE2 3.42Å; F297-F333 VanDerWaalsContact CB-CE2 3.42Å; F297-F333 HydrophobicContact CB-CG 4.42Å; F297-F333 HydrophobicContact CB-CZ 4.05Å; S331-F333 PolarHBondContact O-N 3.13Å; F333-L341 CarbonylContact C-O 3.6Å; F333-L341 WeakPolarHBondContact CA-O 3.48Å | ||
| 334 | T | 87 | Confident | 68.6 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.6 | -169 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | C340 L341 N343 C344 K350 G355 C357 | T334-C340 WeakPolarHBondContact O-CA 3.25Å; T334-L341 PolarHBondContact N-O 3.19Å; T334-L341 PolarHBondContact O-N 3.24Å; T334-L341 PolarHBondContact OG1-O 2.76Å; T334-N343 VanDerWaalsContact OG1-C 3.23Å; T334-N343 PolarHBondContact OG1-O 2.73Å; T334-C344 PolarHBondContact OG1-N 2.95Å; T334-K350 HydrophobicContact CG2-CB 4.18Å; T334-K350 HydrophobicContact CG2-CD 3.92Å; T334-K350 HydrophobicContact CG2-CG 3.94Å; T334-G355 WeakPolarHBondContact CA-O 3.2Å; T334-C357 VanDerWaalsContact CB-SG 3.58Å |
| 335 | I | 88 | Confident | 70.1 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.3 | 179.5 | -61.3 | 166.1 | 0 | 0 | 0 | 109.5 | F280 E290 C293 L294 S339 G355 L356 C357 | F280-I335 HydrophobicContact CD1-CG2 3.5Å; F280-I335 HydrophobicContact CD2-CD1 3.97Å; F280-I335 HydrophobicContact CD2-CG1 4.33Å; F280-I335 HydrophobicContact CD2-CG2 4.39Å; F280-I335 HydrophobicContact CE1-CG2 3.45Å; F280-I335 VanDerWaalsContact CE1-CG2 3.45Å; F280-I335 HydrophobicContact CE2-CD1 3.72Å; F280-I335 HydrophobicContact CE2-CG1 4.47Å; F280-I335 HydrophobicContact CE2-CG2 4.35Å; F280-I335 HydrophobicContact CG-CG1 4.5Å; F280-I335 HydrophobicContact CG-CG2 3.99Å; F280-I335 HydrophobicContact CZ-CD1 4.09Å; F280-I335 HydrophobicContact CZ-CG2 3.9Å; E290-I335 HydrophobicContact CB-CD1 4.45Å; E290-I335 HydrophobicContact CG-CD1 3.88Å; C293-I335 HydrophobicContact CB-CG1 4.45Å; L294-I335 HydrophobicContact CD1-CD1 4.1Å; L294-I335 HydrophobicContact CD2-CD1 4.31Å; L294-I335 HydrophobicContact CD2-CG1 4.35Å; L294-I335 HydrophobicContact CG-CD1 4.14Å; I335-S339 WeakPolarHBondContact CA-O 3.4Å; I335-G355 PolarHBondContact N-O 2.76Å; I335-L356 HydrophobicContact CB-CD2 3.87Å; I335-L356 HydrophobicContact CB-CG 4.47Å; I335-L356 HydrophobicContact CG2-CD2 3.57Å; I335-L356 WeakPolarHBondContact O-CA 3.18Å; I335-C357 PolarHBondContact O-N 2.88Å |
| 336 | F | 89.1 | Confident | 71.3 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 23% | 0.228 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 130.2 | 177.5 | 179.5 | -106.5 | 0 | 0 | 0 | 110.9 | G338 S339 L341 P345 Y348 C357 | F336-G338 PolarHBondContact O-N 3.33Å; F336-S339 PolarHBondContact N-O 2.67Å; F336-S339 WeakPolarHBondContact O-CA 3.46Å; F336-S339 WeakPolarHBondContact O-CB 3.1Å; F336-S339 PolarHBondContact O-N 3.09Å; F336-L341 HydrophobicContact CB-CD1 3.96Å; F336-L341 HydrophobicContact CD1-CD1 4.07Å; F336-L341 HydrophobicContact CG-CD1 4.45Å; F336-P345 HydrophobicContact CD1-CG 3.86Å; F336-P345 HydrophobicContact CD2-CG 4.11Å; F336-P345 HydrophobicContact CE1-CG 3.75Å; F336-P345 HydrophobicContact CE2-CG 4Å; F336-P345 HydrophobicContact CG-CG 4.03Å; F336-P345 HydrophobicContact CZ-CG 3.81Å; F336-Y348 HydrophobicContact CD2-CD1 4.28Å; F336-Y348 AromaticContact CE2-CD1 3.79Å; F336-Y348 HydrophobicContact CE2-CD1 3.79Å; F336-Y348 HydrophobicContact CE2-CD2 4.24Å; F336-Y348 AromaticContact CE2-CE1 3.64Å; F336-Y348 HydrophobicContact CE2-CE1 3.64Å; F336-Y348 HydrophobicContact CE2-CE2 4.09Å; F336-Y348 HydrophobicContact CE2-CG 4.11Å; F336-Y348 AromaticContact CE2-CZ 3.8Å; F336-Y348 HydrophobicContact CZ-CE1 4.46Å; F336-Y348 HydrophobicContact CZ-CE2 4.26Å; F336-C357 HydrophobicContact CB-CB 4.01Å; F336-C357 HydrophobicContact CD2-CB 3.84Å; F336-C357 HydrophobicContact CG-CB 4.34Å |
| 337 | N | 86.7 | Confident | 72.8 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 75% | 0.749 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 58.1 | 174.1 | -161.3 | 15.3 | 0 | 0 | 0 | 114.2 | S339 | N337-S339 PolarHBondContact O-N 2.66Å; N337-S339 VanDerWaalsContact O-N 3.16Å; N337-S339 PolarHBondContact O-OG 2.99Å |
| 338 | G | 86.6 | Confident | 74.7 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F280 K281 F336 | F280-G338 CarbonylContact C-O 3.54Å; F280-G338 WeakPolarHBondContact CA-O 3.39Å; K281-G338 PolarHBondContact N-O 3.44Å; F336-G338 PolarHBondContact O-N 3.33Å |
| 339 | S | 89.1 | Confident | 76.4 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 22% | 0.217 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148 | -174.4 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | K281 I335 F336 N337 | K281-S339 CarbonylContact O-C 3.58Å; K281-S339 WeakPolarHBondContact O-CA 3.46Å; I335-S339 WeakPolarHBondContact CA-O 3.4Å; F336-S339 PolarHBondContact N-O 2.67Å; F336-S339 WeakPolarHBondContact O-CA 3.46Å; F336-S339 WeakPolarHBondContact O-CB 3.1Å; F336-S339 PolarHBondContact O-N 3.09Å; N337-S339 PolarHBondContact O-N 2.66Å; N337-S339 VanDerWaalsContact O-N 3.16Å; N337-S339 PolarHBondContact O-OG 2.99Å |
| 340 | C | 89 | Confident | 78.2 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.3 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | F280 K281 Y282 V288 C293 T334 | F280-C340 HydrophobicContact CB-CB 4.32Å; K281-C340 PolarHBondContact O-N 3.37Å; Y282-C340 HydrophobicContact CD2-CB 4.14Å; V288-C340 HydrophobicContact CG2-CB 3.83Å; C293-C340 VanDerWaalsContact CA-SG 3.56Å; C293-C340 HydrophobicContact CB-CB 3.91Å; C293-C340 WeakPolarHBondContact CB-SG 3.44Å; C293-C340 WeakPolarHBondContact SG-CB 3.22Å; C293-C340 CovalentContact SG-SG 2.04Å; C293-C340 PolarHBondContact SG-SG 3.09Å; T334-C340 WeakPolarHBondContact O-CA 3.25Å |
| 341 | L | 85 | Confident | 79.6 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.4 | -175.3 | -57.1 | -176.4 | 0 | 0 | 0 | 110.7 | F333 T334 F336 N343 | F333-L341 CarbonylContact C-O 3.6Å; F333-L341 WeakPolarHBondContact CA-O 3.48Å; T334-L341 PolarHBondContact N-O 3.19Å; T334-L341 PolarHBondContact O-N 3.24Å; T334-L341 PolarHBondContact OG1-O 2.76Å; F336-L341 HydrophobicContact CB-CD1 3.96Å; F336-L341 HydrophobicContact CD1-CD1 4.07Å; F336-L341 HydrophobicContact CG-CD1 4.45Å; L341-N343 WeakPolarHBondContact CB-O 3.45Å; L341-N343 PolarHBondContact O-N 3.35Å |
| 342 | S | 75.4 | Confident | 80.4 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.8 | 11.5 | 178.4 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | D332 | D332-S342 CarbonylContact O-C 3.53Å; D332-S342 VanDerWaalsContact O-O 3.11Å |
| 343 | N | 77 | Confident | 80.6 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -176.8 | 154.6 | 173 | -103.3 | -74.4 | 0 | 0 | 0 | 108.4 | T334 L341 | T334-N343 VanDerWaalsContact OG1-C 3.23Å; T334-N343 PolarHBondContact OG1-O 2.73Å; L341-N343 WeakPolarHBondContact CB-O 3.45Å; L341-N343 PolarHBondContact O-N 3.35Å |
| 344 | C | 80.2 | Confident | 80.6 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 147.2 | 168 | -67 | 0 | 0 | 0 | 0 | 111.2 | T334 Y348 C357 | T334-C344 PolarHBondContact OG1-N 2.95Å; C344-Y348 WeakPolarHBondContact CB-O 3.39Å; C344-C357 WeakPolarHBondContact CA-SG 3.46Å; C344-C357 HydrophobicContact CB-CB 3.89Å; C344-C357 WeakPolarHBondContact CB-SG 3.36Å; C344-C357 VanDerWaalsContact SG-CA 3.59Å; C344-C357 WeakPolarHBondContact SG-CB 3.37Å; C344-C357 CovalentContact SG-SG 2.04Å; C344-C357 PolarHBondContact SG-SG 3.16Å |
| 345 | P | 76.8 | Confident | 80.2 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 29% | 0.292 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 159.3 | 172.1 | 29.5 | -34.3 | 0 | 0 | 0 | 111.8 | F336 G347 Y348 | F336-P345 HydrophobicContact CD1-CG 3.86Å; F336-P345 HydrophobicContact CD2-CG 4.11Å; F336-P345 HydrophobicContact CE1-CG 3.75Å; F336-P345 HydrophobicContact CE2-CG 4Å; F336-P345 HydrophobicContact CG-CG 4.03Å; F336-P345 HydrophobicContact CZ-CG 3.81Å; P345-G347 PolarHBondContact O-N 2.69Å; P345-Y348 HydrophobicContact CG-CD2 3.87Å; P345-Y348 HydrophobicContact CG-CG 4.29Å; P345-Y348 PolarHBondContact O-N 2.8Å |
| 346 | V | 66.9 | Low | 80.1 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.8 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 347 | G | 71.8 | Confident | 80 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | P345 C360 C364 | P345-G347 PolarHBondContact O-N 2.69Å; G347-C360 VanDerWaalsContact C-SG 3.57Å; G347-C360 PolarHBondContact O-N 3.48Å; G347-C360 VanDerWaalsContact O-N 3.17Å; G347-C360 PolarHBondContact O-SG 2.99Å; G347-C364 PolarHBondContact O-SG 2.87Å; G347-C364 VanDerWaalsContact O-SG 3.37Å |
| 348 | Y | 83.4 | Confident | 80.1 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.7 | 178.5 | -63.5 | -102.8 | 0 | 0 | 0 | 112.4 | F336 C344 P345 Y358 P359 C360 | F336-Y348 HydrophobicContact CD2-CD1 4.28Å; F336-Y348 AromaticContact CE2-CD1 3.79Å; F336-Y348 HydrophobicContact CE2-CD1 3.79Å; F336-Y348 HydrophobicContact CE2-CD2 4.24Å; F336-Y348 AromaticContact CE2-CE1 3.64Å; F336-Y348 HydrophobicContact CE2-CE1 3.64Å; F336-Y348 HydrophobicContact CE2-CE2 4.09Å; F336-Y348 HydrophobicContact CE2-CG 4.11Å; F336-Y348 AromaticContact CE2-CZ 3.8Å; F336-Y348 HydrophobicContact CZ-CE1 4.46Å; F336-Y348 HydrophobicContact CZ-CE2 4.26Å; C344-Y348 WeakPolarHBondContact CB-O 3.39Å; P345-Y348 HydrophobicContact CG-CD2 3.87Å; P345-Y348 HydrophobicContact CG-CG 4.29Å; P345-Y348 PolarHBondContact O-N 2.8Å; Y348-Y358 CarbonylContact C-O 3.58Å; Y348-Y358 VanDerWaalsContact CA-O 3.23Å; Y348-Y358 WeakPolarHBondContact CA-O 3.41Å; Y348-Y358 VanDerWaalsContact CD1-C 3.49Å; Y348-P359 HydrophobicContact CD1-CB 4.1Å; Y348-P359 HydrophobicContact CE1-CB 3.8Å; Y348-P359 HydrophobicContact CE1-CG 4.26Å; Y348-C360 VanDerWaalsContact CA-SG 3.51Å |
| 349 | K | 78.1 | Confident | 79.9 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.9 | 179.7 | 178.7 | 166.4 | 177.5 | 172.2 | 0 | 111.1 | S351 C357 Y358 C360 E365 | K349-S351 PolarHBondContact O-N 3.16Å; K349-C357 CarbonylContact O-C 3.39Å; K349-C357 VanDerWaalsContact O-CA 3.32Å; K349-C357 WeakPolarHBondContact O-CA 3.4Å; K349-Y358 HydrophobicContact CB-CE1 3.99Å; K349-Y358 HydrophobicContact CB-CE2 4.41Å; K349-Y358 WeakPolarHBondContact CD-OH 3.42Å; K349-Y358 HydrophobicContact CG-CE1 4.03Å; K349-Y358 PolarHBondContact N-O 2.92Å; K349-Y358 WeakPolarHBondContact O-CD1 3.42Å; K349-Y358 WeakPolarHBondContact O-CE1 3.46Å; K349-Y358 PolarHBondContact O-N 2.88Å; K349-C360 HydrophobicContact CB-CB 3.98Å; K349-C360 PolarHBondContact N-SG 2.85Å; K349-E365 HydrophobicContact CD-CB 4.23Å; K349-E365 HydrophobicContact CD-CG 4.37Å; K349-E365 WeakPolarHBondContact CE-OE1 3.21Å; K349-E365 WeakPolarHBondContact CE-OE2 3.15Å; K349-E365 IonicContact NZ-OE1 3.62Å; K349-E365 PolarHBondContact NZ-OE1 3.03Å; K349-E365 IonicContact NZ-OE2 2.73Å |
| 350 | K | 81.5 | Confident | 79.3 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.7 | 176.4 | -175.7 | -172.3 | -177.7 | -174.8 | 0 | 109.9 | D330 S331 T334 S352 | D330-K350 IonicContact OD1-NZ 3.33Å; D330-K350 PolarHBondContact OD1-NZ 3.46Å; S331-K350 PolarHBondContact O-NZ 3.08Å; T334-K350 HydrophobicContact CG2-CB 4.18Å; T334-K350 HydrophobicContact CG2-CD 3.92Å; T334-K350 HydrophobicContact CG2-CG 3.94Å; K350-S352 PolarHBondContact O-N 2.83Å |
| 351 | S | 80.8 | Confident | 78.3 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 17% | 0.168 | 40% | 0.402 | C | S | . | . | trans | -68.6 | 117.9 | 168.6 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | K349 K353 T354 G355 L356 | K349-S351 PolarHBondContact O-N 3.16Å; S351-K353 PolarHBondContact O-N 3.45Å; S351-K353 PolarHBondContact OG-N 3.39Å; S351-T354 WeakPolarHBondContact CB-OG1 3.39Å; S351-T354 PolarHBondContact O-N 3.22Å; S351-T354 PolarHBondContact OG-N 3.06Å; S351-T354 PolarHBondContact OG-OG1 2.81Å; S351-G355 WeakPolarHBondContact O-CA 3.5Å; S351-G355 PolarHBondContact O-N 2.94Å; S351-L356 VanDerWaalsContact CB-O 3.27Å; S351-L356 WeakPolarHBondContact CB-O 3.37Å; S351-L356 PolarHBondContact N-O 2.76Å | ||
| 352 | S | 71.7 | Confident | 77.1 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 87% | 0.874 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.7 | 175.7 | 56 | 0 | 0 | 0 | 0 | 114 | K350 | K350-S352 PolarHBondContact O-N 2.83Š|
| 353 | K | 69.6 | Low | 76.3 | Confident | 192 Ų | 192 | 79 Ų | 79 | 84% | 0.835 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -20.4 | 177.9 | -67.2 | -175.7 | 178.6 | 179.8 | 0 | 114.2 | S351 | S351-K353 PolarHBondContact O-N 3.45Å; S351-K353 PolarHBondContact OG-N 3.39Å |
| 354 | T | 78.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | -1.5 | -168.7 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | S351 L356 | S351-T354 WeakPolarHBondContact CB-OG1 3.39Å; S351-T354 PolarHBondContact O-N 3.22Å; S351-T354 PolarHBondContact OG-N 3.06Å; S351-T354 PolarHBondContact OG-OG1 2.81Å; T354-L356 PolarHBondContact O-N 3.25Å |
| 355 | G | 79.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 5% | 0.052 | 45% | 0.445 | C | S | . | . | trans | 65.6 | -7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | T334 I335 S351 | T334-G355 WeakPolarHBondContact CA-O 3.2Å; I335-G355 PolarHBondContact N-O 2.76Å; S351-G355 WeakPolarHBondContact O-CA 3.5Å; S351-G355 PolarHBondContact O-N 2.94Å | ||
| 356 | L | 86.3 | Confident | 74.2 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 40% | 0.403 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 138.1 | 177.9 | -75.2 | 161 | 0 | 0 | 0 | 111.7 | I335 S351 T354 | I335-L356 HydrophobicContact CB-CD2 3.87Å; I335-L356 HydrophobicContact CB-CG 4.47Å; I335-L356 HydrophobicContact CG2-CD2 3.57Å; I335-L356 WeakPolarHBondContact O-CA 3.18Å; S351-L356 VanDerWaalsContact CB-O 3.27Å; S351-L356 WeakPolarHBondContact CB-O 3.37Å; S351-L356 PolarHBondContact N-O 2.76Å; T354-L356 PolarHBondContact O-N 3.25Å |
| 357 | C | 86.9 | Confident | 74.5 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 116.4 | 172.9 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | T334 I335 F336 C344 K349 | T334-C357 VanDerWaalsContact CB-SG 3.58Å; I335-C357 PolarHBondContact O-N 2.88Å; F336-C357 HydrophobicContact CB-CB 4.01Å; F336-C357 HydrophobicContact CD2-CB 3.84Å; F336-C357 HydrophobicContact CG-CB 4.34Å; C344-C357 WeakPolarHBondContact CA-SG 3.46Å; C344-C357 HydrophobicContact CB-CB 3.89Å; C344-C357 WeakPolarHBondContact CB-SG 3.36Å; C344-C357 VanDerWaalsContact SG-CA 3.59Å; C344-C357 WeakPolarHBondContact SG-CB 3.37Å; C344-C357 CovalentContact SG-SG 2.04Å; C344-C357 PolarHBondContact SG-SG 3.16Å; K349-C357 CarbonylContact O-C 3.39Å; K349-C357 VanDerWaalsContact O-CA 3.32Å; K349-C357 WeakPolarHBondContact O-CA 3.4Å |
| 358 | Y | 87.2 | Confident | 75 | Confident | 100 Ų | 100 | 83.9 Ų | 83.9 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.2 | 177.7 | 68.3 | -86.8 | 0 | 0 | 0 | 111.3 | Y348 K349 C360 | Y348-Y358 CarbonylContact C-O 3.58Å; Y348-Y358 VanDerWaalsContact CA-O 3.23Å; Y348-Y358 WeakPolarHBondContact CA-O 3.41Å; Y348-Y358 VanDerWaalsContact CD1-C 3.49Å; K349-Y358 HydrophobicContact CB-CE1 3.99Å; K349-Y358 HydrophobicContact CB-CE2 4.41Å; K349-Y358 WeakPolarHBondContact CD-OH 3.42Å; K349-Y358 HydrophobicContact CG-CE1 4.03Å; K349-Y358 PolarHBondContact N-O 2.92Å; K349-Y358 WeakPolarHBondContact O-CD1 3.42Å; K349-Y358 WeakPolarHBondContact O-CE1 3.46Å; K349-Y358 PolarHBondContact O-N 2.88Å; Y358-C360 HydrophobicContact CE2-CB 4.18Å; Y358-C360 PolarHBondContact O-N 3.07Å |
| 359 | P | 83.5 | Confident | 75.1 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 62% | 0.617 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.1 | 178.1 | 28.5 | -33.6 | 0 | 0 | 0 | 109.7 | Y348 | Y348-P359 HydrophobicContact CD1-CB 4.1Å; Y348-P359 HydrophobicContact CE1-CB 3.8Å; Y348-P359 HydrophobicContact CE1-CG 4.26Å |
| 360 | C | 76.2 | Confident | 75.3 | Confident | 16 Ų | 16 | 88.7 Ų | 88.7 | 11% | 0.108 | 46% | 0.459 | C | S | . | . | trans | -120.8 | -10.1 | -167.4 | 40.1 | 0 | 0 | 0 | 0 | 115.1 | G347 Y348 K349 Y358 D362 Q363 C364 | G347-C360 VanDerWaalsContact C-SG 3.57Å; G347-C360 PolarHBondContact O-N 3.48Å; G347-C360 VanDerWaalsContact O-N 3.17Å; G347-C360 PolarHBondContact O-SG 2.99Å; Y348-C360 VanDerWaalsContact CA-SG 3.51Å; K349-C360 HydrophobicContact CB-CB 3.98Å; K349-C360 PolarHBondContact N-SG 2.85Å; Y358-C360 HydrophobicContact CE2-CB 4.18Å; Y358-C360 PolarHBondContact O-N 3.07Å; C360-D362 PolarHBondContact O-N 2.67Å; C360-Q363 CarbonylContact O-C 3.59Å; C360-Q363 WeakPolarHBondContact O-CA 3.3Å; C360-Q363 WeakPolarHBondContact O-CB 3.47Å; C360-Q363 PolarHBondContact O-N 3.01Å; C360-C364 VanDerWaalsContact C-SG 3.52Å; C360-C364 VanDerWaalsContact CA-SG 3.59Å; C360-C364 HydrophobicContact CB-CB 3.94Å; C360-C364 WeakPolarHBondContact CB-SG 3.38Å; C360-C364 WeakPolarHBondContact SG-CA 3.14Å; C360-C364 WeakPolarHBondContact SG-CB 3.34Å; C360-C364 CovalentContact SG-SG 2.03Å; C360-C364 PolarHBondContact SG-SG 3.03Å | ||
| 361 | G | 68.1 | Low | 75.5 | Confident | 58 Ų | 58 | 91.3 Ų | 91.3 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | 53 | -132.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q363 C364 | G361-Q363 PolarHBondContact O-N 2.72Å; G361-C364 WeakPolarHBondContact O-CB 3.37Å; G361-C364 PolarHBondContact O-N 3.25Å; G361-C364 PolarHBondContact O-SG 2.69Å |
| 362 | D | 59.5 | Low | 75.8 | Confident | 169 Ų | 169 | 91.5 Ų | 91.5 | 90% | 0.904 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -69.9 | -11.5 | 177.6 | -51.4 | -50.5 | 0 | 0 | 0 | 113.6 | C360 C364 | C360-D362 PolarHBondContact O-N 2.67Å; D362-C364 VanDerWaalsContact C-N 3.35Å |
| 363 | Q | 59.6 | Low | 76.5 | Confident | 169 Ų | 169 | 90.5 Ų | 90.5 | 79% | 0.79 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -91.5 | 8.5 | 174.9 | -56.7 | -172.3 | -1.4 | 0 | 0 | 113.3 | C360 G361 | C360-Q363 CarbonylContact O-C 3.59Å; C360-Q363 WeakPolarHBondContact O-CA 3.3Å; C360-Q363 WeakPolarHBondContact O-CB 3.47Å; C360-Q363 PolarHBondContact O-N 3.01Å; G361-Q363 PolarHBondContact O-N 2.72Å |
| 364 | C | 64.9 | Low | 77.3 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -61.7 | 142.5 | 172.9 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | G347 C360 G361 D362 L366 | G347-C364 PolarHBondContact O-SG 2.87Å; G347-C364 VanDerWaalsContact O-SG 3.37Å; C360-C364 VanDerWaalsContact C-SG 3.52Å; C360-C364 VanDerWaalsContact CA-SG 3.59Å; C360-C364 HydrophobicContact CB-CB 3.94Å; C360-C364 WeakPolarHBondContact CB-SG 3.38Å; C360-C364 WeakPolarHBondContact SG-CA 3.14Å; C360-C364 WeakPolarHBondContact SG-CB 3.34Å; C360-C364 CovalentContact SG-SG 2.03Å; C360-C364 PolarHBondContact SG-SG 3.03Å; G361-C364 WeakPolarHBondContact O-CB 3.37Å; G361-C364 PolarHBondContact O-N 3.25Å; G361-C364 PolarHBondContact O-SG 2.69Å; D362-C364 VanDerWaalsContact C-N 3.35Å; C364-L366 PolarHBondContact O-N 2.66Å |
| 365 | E | 57.8 | Low | 77.5 | Confident | 143 Ų | 143 | 84.5 Ų | 84.5 | 67% | 0.668 | 43% | 0.425 | S | S | * | . | trans | -66.2 | 113.5 | 173.9 | -112.5 | 158.3 | -152.1 | 0 | 0 | 109.2 | K349 K367 | K349-E365 HydrophobicContact CD-CB 4.23Å; K349-E365 HydrophobicContact CD-CG 4.37Å; K349-E365 WeakPolarHBondContact CE-OE1 3.21Å; K349-E365 WeakPolarHBondContact CE-OE2 3.15Å; K349-E365 IonicContact NZ-OE1 3.62Å; K349-E365 PolarHBondContact NZ-OE1 3.03Å; K349-E365 IonicContact NZ-OE2 2.73Å; E365-K367 PolarHBondContact O-N 2.64Å | ||
| 366 | L | 67.1 | Low | 77.5 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | trans | -70 | 123.2 | -170.9 | -64.9 | 172.2 | 0 | 0 | 0 | 108.6 | C364 H368 Y387 | C364-L366 PolarHBondContact O-N 2.66Å; L366-H368 PolarHBondContact O-CD2 2.84Å; L366-H368 VanDerWaalsContact O-CG 3.32Å; L366-H368 PolarHBondContact O-N 3.36Å; L366-H368 PolarHBondContact O-NE2 3.48Å; L366-Y387 HydrophobicContact CB-CD1 3.75Å; L366-Y387 HydrophobicContact CB-CD2 4.25Å; L366-Y387 HydrophobicContact CB-CE1 4.47Å; L366-Y387 HydrophobicContact CB-CG 3.64Å; L366-Y387 HydrophobicContact CD1-CD1 3.9Å; L366-Y387 HydrophobicContact CD1-CD2 3.95Å; L366-Y387 HydrophobicContact CD1-CE1 3.79Å; L366-Y387 HydrophobicContact CD1-CE2 3.78Å; L366-Y387 HydrophobicContact CD1-CG 3.99Å; L366-Y387 HydrophobicContact CD2-CD2 3.78Å; L366-Y387 HydrophobicContact CD2-CE2 4.24Å; L366-Y387 HydrophobicContact CD2-CG 4.04Å; L366-Y387 HydrophobicContact CG-CD1 4.33Å; L366-Y387 HydrophobicContact CG-CD2 4.21Å; L366-Y387 HydrophobicContact CG-CG 4.09Å | ||
| 367 | K | 73.3 | Confident | 77.2 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | trans | -62.3 | 94.1 | -172.3 | -173.5 | -162.7 | 172.4 | -151.2 | 0 | 110.5 | E365 C369 T382 A384 G385 C386 Y387 | E365-K367 PolarHBondContact O-N 2.64Å; K367-C369 VanDerWaalsContact CE-SG 3.54Å; K367-C369 PolarHBondContact O-N 2.88Å; K367-T382 PolarHBondContact NZ-O 3.03Å; K367-T382 VanDerWaalsContact NZ-O 3.14Å; K367-A384 PolarHBondContact NZ-O 2.91Å; K367-G385 WeakPolarHBondContact CB-O 3.22Å; K367-G385 WeakPolarHBondContact CD-O 3.49Å; K367-C386 PolarHBondContact NZ-SG 3.17Å; K367-C386 WeakPolarHBondContact O-CA 3.22Å; K367-Y387 PolarHBondContact O-N 3.44Å | ||
| 368 | H | 82 | Confident | 76.7 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109.8 | 177.3 | -64.2 | -60.5 | 0 | 0 | 0 | 109.6 | L366 S388 H419 | L366-H368 PolarHBondContact O-CD2 2.84Å; L366-H368 VanDerWaalsContact O-CG 3.32Å; L366-H368 PolarHBondContact O-N 3.36Å; L366-H368 PolarHBondContact O-NE2 3.48Å; H368-S388 PolarHBondContact ND1-OG 2.88Å; H368-H419 AromaticContact ND1-NE2 3.45Å; H368-H419 PolarHBondContact ND1-NE2 3.25Å |
| 369 | C | 84.9 | Confident | 76.4 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 14% | 0.142 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 160.7 | -173.1 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | K367 F372 C386 S388 A389 K390 | K367-C369 VanDerWaalsContact CE-SG 3.54Å; K367-C369 PolarHBondContact O-N 2.88Å; C369-F372 HydrophobicContact CB-CE2 3.48Å; C369-F372 VanDerWaalsContact CB-CE2 3.48Å; C369-F372 HydrophobicContact CB-CZ 3.6Å; C369-C386 HydrophobicContact CB-CB 3.85Å; C369-C386 WeakPolarHBondContact CB-SG 3.46Å; C369-C386 WeakPolarHBondContact SG-CB 3.23Å; C369-C386 CovalentContact SG-SG 2.03Å; C369-C386 PolarHBondContact SG-SG 3.5Å; C369-S388 WeakPolarHBondContact CB-O 3.28Å; C369-S388 PolarHBondContact N-O 3.09Å; C369-A389 CarbonylContact O-C 3.56Å; C369-K390 PolarHBondContact O-N 3.05Å; C369-K390 VanDerWaalsContact O-N 3.11Å |
| 370 | R | 82.3 | Confident | 76.3 | Confident | 220 Ų | 220 | 84.2 Ų | 84.2 | 83% | 0.83 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -155.8 | -178 | -61.6 | -173.2 | 178.8 | -174.7 | 0.4 | 111.3 | K390 | R370-K390 PolarHBondContact O-N 2.92Å |
| 371 | E | 85.6 | Confident | 76.5 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.5 | 176.1 | -60.9 | 167.4 | -151.8 | 0 | 0 | 109.9 | K390 A391 | E371-K390 HydrophobicContact CG-CB 3.84Å; E371-K390 HydrophobicContact CG-CD 3.91Å; E371-K390 HydrophobicContact CG-CG 3.93Å; E371-K390 VanDerWaalsContact OE1-CD 3.3Å; E371-K390 WeakPolarHBondContact OE1-CD 3.37Å; E371-K390 WeakPolarHBondContact OE1-CE 3.34Å; E371-K390 IonicContact OE1-NZ 3.76Å; E371-K390 PolarHBondContact OE1-NZ 3.27Å; E371-A391 CarbonylContact C-O 3.57Å; E371-A391 WeakPolarHBondContact CA-O 3.36Å; E371-A391 HydrophobicContact CG-CB 4.07Å |
| 372 | F | 87.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 89.5 Ų | 89.5 | 12% | 0.118 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.5 | -179.7 | -66.9 | -87.5 | 0 | 0 | 0 | 111.9 | C369 I374 T382 L383 A389 A391 I392 Y393 | C369-F372 HydrophobicContact CB-CE2 3.48Å; C369-F372 VanDerWaalsContact CB-CE2 3.48Å; C369-F372 HydrophobicContact CB-CZ 3.6Å; F372-I374 HydrophobicContact CB-CD1 4.28Å; F372-I374 HydrophobicContact CB-CG1 3.99Å; F372-T382 WeakPolarHBondContact CE1-OG1 3.14Å; F372-L383 HydrophobicContact CD1-CB 4.37Å; F372-L383 HydrophobicContact CD2-CD1 3.83Å; F372-L383 HydrophobicContact CE1-CB 4.1Å; F372-L383 HydrophobicContact CE1-CD1 4.45Å; F372-L383 HydrophobicContact CE2-CD1 3.53Å; F372-L383 HydrophobicContact CG-CD1 4.39Å; F372-L383 HydrophobicContact CZ-CB 4.24Å; F372-L383 HydrophobicContact CZ-CD1 3.87Å; F372-A389 HydrophobicContact CD2-CB 4.02Å; F372-A389 HydrophobicContact CE2-CB 4.01Å; F372-A391 PolarHBondContact N-O 2.99Å; F372-I392 HydrophobicContact CD2-CG1 4.33Å; F372-Y393 PolarHBondContact O-N 3.19Å |
| 373 | L | 87.2 | Confident | 78.5 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 92.3 | 169.9 | -178.6 | 64.5 | 0 | 0 | 0 | 109.1 | H375 Y393 | L373-H375 PolarHBondContact O-N 2.76Å; L373-Y393 HydrophobicContact CD1-CD1 3.56Å; L373-Y393 HydrophobicContact CD1-CE1 4.3Å; L373-Y393 HydrophobicContact CD1-CG 4.01Å |
| 374 | I | 86.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 84.4 | -173 | -50.6 | 177.1 | 0 | 0 | 0 | 108.9 | F372 V379 L380 L383 I392 Y393 L394 S395 I396 | F372-I374 HydrophobicContact CB-CD1 4.28Å; F372-I374 HydrophobicContact CB-CG1 3.99Å; I374-V379 HydrophobicContact CG1-CG1 4.12Å; I374-V379 HydrophobicContact CG2-CB 4.43Å; I374-L380 HydrophobicContact CD1-CD2 4.29Å; I374-L380 HydrophobicContact CG2-CD2 3.62Å; I374-L380 HydrophobicContact CG2-CG 4.26Å; I374-L383 HydrophobicContact CD1-CD2 3.94Å; I374-I392 HydrophobicContact CD1-CG2 3.85Å; I374-Y393 PolarHBondContact N-O 2.67Å; I374-L394 HydrophobicContact CB-CD1 3.73Å; I374-L394 HydrophobicContact CD1-CD1 4.42Å; I374-L394 HydrophobicContact CG2-CD1 3.54Å; I374-S395 PolarHBondContact O-N 3.02Å; I374-I396 HydrophobicContact CG2-CD1 4.2Å; I374-I396 HydrophobicContact CG2-CG1 4.5Å |
| 375 | H | 82.7 | Confident | 80.3 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -106.7 | 6.5 | 176.4 | 73.8 | 78.4 | 0 | 0 | 0 | 113.1 | L373 S395 | L373-H375 PolarHBondContact O-N 2.76Å; H375-S395 WeakPolarHBondContact CA-O 3.27Å |
| 376 | S | 79.6 | Confident | 81.7 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -162.5 | 146.9 | -178 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | K378 V379 | S376-K378 PolarHBondContact O-N 3.17Å; S376-K378 VanDerWaalsContact O-N 3.12Å; S376-V379 WeakPolarHBondContact O-CB 3.42Å; S376-V379 PolarHBondContact O-N 3.35Å |
| 377 | L | 80 | Confident | 82.7 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -57.8 | -28.3 | -178.7 | -55.9 | 177.9 | 0 | 0 | 0 | 113.2 | V379 L380 I396 V404 L407 | L377-V379 PolarHBondContact O-N 3.02Å; L377-L380 HydrophobicContact CB-CD1 4.42Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 VanDerWaalsContact O-CB 3.31Å; L377-L380 WeakPolarHBondContact O-CB 3.38Å; L377-L380 WeakPolarHBondContact O-CG 3.42Å; L377-L380 PolarHBondContact O-N 2.79Å; L377-L380 VanDerWaalsContact O-N 3.14Å; L377-I396 HydrophobicContact CD2-CD1 4.03Å; L377-I396 HydrophobicContact CD2-CG2 4.27Å; L377-V404 HydrophobicContact CD1-CG2 4.17Å; L377-V404 HydrophobicContact CD2-CB 4.32Å; L377-V404 HydrophobicContact CD2-CG1 4.14Å; L377-V404 HydrophobicContact CD2-CG2 3.76Å; L377-L407 HydrophobicContact CB-CD1 4.21Å; L377-L407 HydrophobicContact CD1-CD1 4.19Å; L377-L407 HydrophobicContact CD2-CD1 4.44Å |
| 378 | K | 75.9 | Confident | 83.5 | Confident | 154 Ų | 154 | 63.7 Ų | 63.7 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -64.4 | -17.2 | 176.6 | -64.7 | -176.1 | 179.7 | 178.8 | 0 | 114.5 | S376 | S376-K378 PolarHBondContact O-N 3.17Å; S376-K378 VanDerWaalsContact O-N 3.12Å |
| 379 | V | 80.5 | Confident | 83.8 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -80.6 | -24.2 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 111 | I374 S376 L377 D381 T382 | I374-V379 HydrophobicContact CG1-CG1 4.12Å; I374-V379 HydrophobicContact CG2-CB 4.43Å; S376-V379 WeakPolarHBondContact O-CB 3.42Å; S376-V379 PolarHBondContact O-N 3.35Å; L377-V379 PolarHBondContact O-N 3.02Å; V379-D381 VanDerWaalsContact C-N 3.31Å; V379-D381 PolarHBondContact O-N 3.34Å; V379-T382 WeakPolarHBondContact O-CB 3.22Å; V379-T382 PolarHBondContact O-N 3.04Å; V379-T382 PolarHBondContact O-OG1 3.47Å |
| 380 | L | 82.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -37 | -175.3 | -63.4 | 174.7 | 0 | 0 | 0 | 112.8 | I374 L377 T382 L383 A384 L407 L408 A411 | I374-L380 HydrophobicContact CD1-CD2 4.29Å; I374-L380 HydrophobicContact CG2-CD2 3.62Å; I374-L380 HydrophobicContact CG2-CG 4.26Å; L377-L380 HydrophobicContact CB-CD1 4.42Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 VanDerWaalsContact O-CB 3.31Å; L377-L380 WeakPolarHBondContact O-CB 3.38Å; L377-L380 WeakPolarHBondContact O-CG 3.42Å; L377-L380 PolarHBondContact O-N 2.79Å; L377-L380 VanDerWaalsContact O-N 3.14Å; L380-T382 PolarHBondContact O-N 3.17Å; L380-T382 VanDerWaalsContact O-N 3.13Å; L380-L383 PolarHBondContact O-N 3.45Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L380-A384 PolarHBondContact O-N 3.12Å; L380-A384 VanDerWaalsContact O-N 3.08Å; L380-L407 HydrophobicContact CD1-CB 3.6Å; L380-L408 HydrophobicContact CD1-CG 4.43Å; L380-L408 HydrophobicContact CD2-CD2 3.64Å; L380-L408 HydrophobicContact CD2-CG 4.37Å; L380-A411 HydrophobicContact CB-CB 4.07Å; L380-A411 HydrophobicContact CD2-CB 4.17Å |
| 381 | D | 80.6 | Confident | 84.2 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.4 | -22.3 | 175.8 | -66.6 | -42.6 | 0 | 0 | 0 | 113.2 | V379 | V379-D381 VanDerWaalsContact C-N 3.31Å; V379-D381 PolarHBondContact O-N 3.34Å |
| 382 | T | 83 | Confident | 84.5 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 47% | 0.466 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -82.8 | -31.1 | 177.8 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | K367 F372 V379 L380 | K367-T382 PolarHBondContact NZ-O 3.03Å; K367-T382 VanDerWaalsContact NZ-O 3.14Å; F372-T382 WeakPolarHBondContact CE1-OG1 3.14Å; V379-T382 WeakPolarHBondContact O-CB 3.22Å; V379-T382 PolarHBondContact O-N 3.04Å; V379-T382 PolarHBondContact O-OG1 3.47Å; L380-T382 PolarHBondContact O-N 3.17Å; L380-T382 VanDerWaalsContact O-N 3.13Å |
| 383 | L | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75 | -29.5 | 173.2 | 179.9 | 65.1 | 0 | 0 | 0 | 111.5 | F372 I374 L380 G385 C386 I392 A411 F412 L415 | F372-L383 HydrophobicContact CD1-CB 4.37Å; F372-L383 HydrophobicContact CD2-CD1 3.83Å; F372-L383 HydrophobicContact CE1-CB 4.1Å; F372-L383 HydrophobicContact CE1-CD1 4.45Å; F372-L383 HydrophobicContact CE2-CD1 3.53Å; F372-L383 HydrophobicContact CG-CD1 4.39Å; F372-L383 HydrophobicContact CZ-CB 4.24Å; F372-L383 HydrophobicContact CZ-CD1 3.87Å; I374-L383 HydrophobicContact CD1-CD2 3.94Å; L380-L383 PolarHBondContact O-N 3.45Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L383-G385 PolarHBondContact O-N 3.31Å; L383-C386 HydrophobicContact CD1-CB 4.12Å; L383-C386 WeakPolarHBondContact O-CB 3.49Å; L383-C386 PolarHBondContact O-N 2.66Å; L383-C386 PolarHBondContact O-SG 2.94Å; L383-I392 HydrophobicContact CD1-CD1 4.05Å; L383-I392 HydrophobicContact CD2-CD1 4.24Å; L383-A411 HydrophobicContact CB-CB 4.45Å; L383-A411 HydrophobicContact CD2-CB 4.22Å; L383-A411 HydrophobicContact CG-CB 4.49Å; L383-F412 HydrophobicContact CD2-CD2 3.82Å; L383-F412 HydrophobicContact CD2-CE2 3.56Å; L383-F412 HydrophobicContact CD2-CZ 4.06Å; L383-L415 HydrophobicContact CD1-CD1 4.42Å |
| 384 | A | 83.7 | Confident | 85 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 131.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K367 L380 C386 | K367-A384 PolarHBondContact NZ-O 2.91Å; L380-A384 PolarHBondContact O-N 3.12Å; L380-A384 VanDerWaalsContact O-N 3.08Å; A384-C386 VanDerWaalsContact C-N 3.29Å; A384-C386 PolarHBondContact O-N 3.01Å |
| 385 | G | 78.6 | Confident | 85.3 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | K367 L383 | K367-G385 WeakPolarHBondContact CB-O 3.22Å; K367-G385 WeakPolarHBondContact CD-O 3.49Å; L383-G385 PolarHBondContact O-N 3.31Å |
| 386 | C | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -68.6 | 135.6 | 171.5 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | K367 C369 L383 A384 N414 L415 | K367-C386 PolarHBondContact NZ-SG 3.17Å; K367-C386 WeakPolarHBondContact O-CA 3.22Å; C369-C386 HydrophobicContact CB-CB 3.85Å; C369-C386 WeakPolarHBondContact CB-SG 3.46Å; C369-C386 WeakPolarHBondContact SG-CB 3.23Å; C369-C386 CovalentContact SG-SG 2.03Å; C369-C386 PolarHBondContact SG-SG 3.5Å; L383-C386 HydrophobicContact CD1-CB 4.12Å; L383-C386 WeakPolarHBondContact O-CB 3.49Å; L383-C386 PolarHBondContact O-N 2.66Å; L383-C386 PolarHBondContact O-SG 2.94Å; A384-C386 VanDerWaalsContact C-N 3.29Å; A384-C386 PolarHBondContact O-N 3.01Å; C386-N414 CarbonylContact O-C 3.57Å; C386-L415 HydrophobicContact CB-CD1 4.32Å; C386-L415 VanDerWaalsContact O-CA 3.28Å; C386-L415 WeakPolarHBondContact O-CA 3.38Å; C386-L415 PolarHBondContact O-N 3.44Å | ||
| 387 | Y | 87.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -89.4 | -37.9 | 170.3 | 173.3 | -90.6 | 0 | 0 | 0 | 111.7 | L366 K367 R416 V417 | L366-Y387 HydrophobicContact CB-CD1 3.75Å; L366-Y387 HydrophobicContact CB-CD2 4.25Å; L366-Y387 HydrophobicContact CB-CE1 4.47Å; L366-Y387 HydrophobicContact CB-CG 3.64Å; L366-Y387 HydrophobicContact CD1-CD1 3.9Å; L366-Y387 HydrophobicContact CD1-CD2 3.95Å; L366-Y387 HydrophobicContact CD1-CE1 3.79Å; L366-Y387 HydrophobicContact CD1-CE2 3.78Å; L366-Y387 HydrophobicContact CD1-CG 3.99Å; L366-Y387 HydrophobicContact CD2-CD2 3.78Å; L366-Y387 HydrophobicContact CD2-CE2 4.24Å; L366-Y387 HydrophobicContact CD2-CG 4.04Å; L366-Y387 HydrophobicContact CG-CD1 4.33Å; L366-Y387 HydrophobicContact CG-CD2 4.21Å; L366-Y387 HydrophobicContact CG-CG 4.09Å; K367-Y387 PolarHBondContact O-N 3.44Å; Y387-R416 HydrophobicContact CD2-CB 4.09Å; Y387-R416 HydrophobicContact CD2-CG 3.82Å; Y387-R416 HydrophobicContact CE1-CB 4.41Å; Y387-R416 HydrophobicContact CE2-CB 3.67Å; Y387-R416 HydrophobicContact CE2-CG 3.5Å; Y387-R416 PolarHBondContact O-N 2.86Å; Y387-V417 HydrophobicContact CE1-CG2 4.08Å; Y387-V417 PolarHBondContact O-N 3Å |
| 388 | S | 89 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.9 | 169.4 | 78.9 | 0 | 0 | 0 | 0 | 111.9 | H368 C369 V417 H419 | H368-S388 PolarHBondContact ND1-OG 2.88Å; C369-S388 WeakPolarHBondContact CB-O 3.28Å; C369-S388 PolarHBondContact N-O 3.09Å; S388-V417 CarbonylContact C-O 3.58Å; S388-V417 WeakPolarHBondContact CA-O 3.22Å; S388-V417 VanDerWaalsContact CB-O 3.24Å; S388-V417 WeakPolarHBondContact CB-O 3.37Å; S388-H419 WeakPolarHBondContact CB-NE2 3.32Å; S388-H419 PolarHBondContact OG-NE2 3.31Å |
| 389 | A | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | C369 F372 I392 L415 V417 I418 H419 | C369-A389 CarbonylContact O-C 3.56Å; F372-A389 HydrophobicContact CD2-CB 4.02Å; F372-A389 HydrophobicContact CE2-CB 4.01Å; A389-I392 HydrophobicContact CB-CD1 3.84Å; A389-I392 HydrophobicContact CB-CG1 3.76Å; A389-L415 HydrophobicContact CB-CD1 4.11Å; A389-V417 PolarHBondContact N-O 3.43Å; A389-I418 CarbonylContact O-C 3.58Å; A389-I418 WeakPolarHBondContact O-CA 3.28Å; A389-H419 PolarHBondContact O-CD2 2.83Å; A389-H419 PolarHBondContact O-N 3.05Å |
| 390 | K | 85.7 | Confident | 84.2 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -50.4 | 174.8 | -175.4 | 176.5 | 172 | -147.3 | 0 | 110.7 | C369 R370 E371 H420 | C369-K390 PolarHBondContact O-N 3.05Å; C369-K390 VanDerWaalsContact O-N 3.11Å; R370-K390 PolarHBondContact O-N 2.92Å; E371-K390 HydrophobicContact CG-CB 3.84Å; E371-K390 HydrophobicContact CG-CD 3.91Å; E371-K390 HydrophobicContact CG-CG 3.93Å; E371-K390 VanDerWaalsContact OE1-CD 3.3Å; E371-K390 WeakPolarHBondContact OE1-CD 3.37Å; E371-K390 WeakPolarHBondContact OE1-CE 3.34Å; E371-K390 IonicContact OE1-NZ 3.76Å; E371-K390 PolarHBondContact OE1-NZ 3.27Å; K390-H420 WeakPolarHBondContact CE-CE1 3.2Å; K390-H420 VanDerWaalsContact O-CB 3.26Å; K390-H420 WeakPolarHBondContact O-CB 3.31Å; K390-H420 PolarHBondContact O-N 2.81Å |
| 391 | A | 88.2 | Confident | 83.6 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 156.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E371 F372 H420 S421 | E371-A391 CarbonylContact C-O 3.57Å; E371-A391 WeakPolarHBondContact CA-O 3.36Å; E371-A391 HydrophobicContact CG-CB 4.07Å; F372-A391 PolarHBondContact N-O 2.99Å; A391-H420 HydrophobicContact CB-CB 4.41Å; A391-S421 CarbonylContact C-O 3.53Å; A391-S421 VanDerWaalsContact CA-O 3.28Å; A391-S421 WeakPolarHBondContact CA-O 3.33Å |
| 392 | I | 93 | Very high | 82.8 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 122.5 | 176.1 | -59.3 | -177.2 | 0 | 0 | 0 | 109.6 | F372 I374 L383 A389 F412 L415 I418 S421 L422 R423 | F372-I392 HydrophobicContact CD2-CG1 4.33Å; I374-I392 HydrophobicContact CD1-CG2 3.85Å; L383-I392 HydrophobicContact CD1-CD1 4.05Å; L383-I392 HydrophobicContact CD2-CD1 4.24Å; A389-I392 HydrophobicContact CB-CD1 3.84Å; A389-I392 HydrophobicContact CB-CG1 3.76Å; I392-F412 HydrophobicContact CD1-CE1 4.28Å; I392-F412 HydrophobicContact CD1-CZ 4.21Å; I392-F412 HydrophobicContact CG2-CZ 4.42Å; I392-L415 HydrophobicContact CD1-CD2 3.59Å; I392-I418 HydrophobicContact CD1-CD1 4.02Å; I392-I418 HydrophobicContact CD1-CG1 4.41Å; I392-S421 PolarHBondContact N-O 3.4Å; I392-L422 HydrophobicContact CB-CD1 3.91Å; I392-L422 HydrophobicContact CG2-CD1 4.02Å; I392-L422 WeakPolarHBondContact O-CA 3.12Å; I392-R423 PolarHBondContact O-N 2.88Å |
| 393 | Y | 92.1 | Very high | 82.5 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120 | 167.8 | -170.2 | -78.8 | 0 | 0 | 0 | 108.9 | F372 L373 I374 R423 V425 Y1454 | F372-Y393 PolarHBondContact O-N 3.19Å; L373-Y393 HydrophobicContact CD1-CD1 3.56Å; L373-Y393 HydrophobicContact CD1-CE1 4.3Å; L373-Y393 HydrophobicContact CD1-CG 4.01Å; I374-Y393 PolarHBondContact N-O 2.67Å; Y393-R423 CarbonylContact C-O 3.55Å; Y393-R423 WeakPolarHBondContact CA-O 3.23Å; Y393-R423 HydrophobicContact CD2-CB 3.96Å; Y393-R423 HydrophobicContact CE2-CB 4.46Å; Y393-V425 HydrophobicContact CE1-CB 4.44Å; Y393-V425 HydrophobicContact CE2-CB 4.33Å; Y393-V425 HydrophobicContact CE2-CG2 3.98Å; Y393-Y1454 PolarHBondContact OH-OH 2.82Å |
| 394 | L | 93.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.5 | -175.7 | -178.6 | 64.5 | 0 | 0 | 0 | 109.9 | I374 I396 L408 R423 I424 V425 S427 L430 F435 | I374-L394 HydrophobicContact CB-CD1 3.73Å; I374-L394 HydrophobicContact CD1-CD1 4.42Å; I374-L394 HydrophobicContact CG2-CD1 3.54Å; L394-I396 HydrophobicContact CD1-CD1 3.63Å; L394-I396 HydrophobicContact CD1-CG1 3.79Å; L394-L408 HydrophobicContact CD1-CD2 3.98Å; L394-L408 HydrophobicContact CD2-CD2 4.1Å; L394-R423 PolarHBondContact N-O 3.32Å; L394-I424 HydrophobicContact CB-CG1 4.28Å; L394-I424 HydrophobicContact CD2-CD1 4.3Å; L394-I424 HydrophobicContact CD2-CG1 4.13Å; L394-I424 HydrophobicContact CD2-CG2 4.13Å; L394-I424 HydrophobicContact CG-CG2 4.5Å; L394-V425 PolarHBondContact O-N 3.46Å; L394-S427 PolarHBondContact O-OG 3.18Å; L394-S427 VanDerWaalsContact O-OG 3.11Å; L394-L430 HydrophobicContact CD2-CD1 4.11Å; L394-F435 HydrophobicContact CD2-CE2 4.1Å; L394-F435 HydrophobicContact CD2-CZ 3.76Å |
| 395 | S | 91.5 | Very high | 82.2 | Confident | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | trans | -143.1 | 83.5 | 175.8 | -159.1 | 0 | 0 | 0 | 0 | 110.1 | I374 H375 Q397 V425 S427 | I374-S395 PolarHBondContact O-N 3.02Å; H375-S395 WeakPolarHBondContact CA-O 3.27Å; S395-Q397 PolarHBondContact OG-NE2 2.87Å; S395-V425 WeakPolarHBondContact CA-O 3.06Å; S395-V425 WeakPolarHBondContact CB-O 3.49Å; S395-V425 PolarHBondContact OG-O 3.15Å; S395-S427 VanDerWaalsContact CA-OG 3.26Å; S395-S427 WeakPolarHBondContact CA-OG 3.19Å | ||
| 396 | I | 84.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -103.6 | 104.1 | 178.8 | -59.7 | 176.5 | 0 | 0 | 0 | 109.4 | I374 L377 L394 E398 V404 L408 S427 S428 V429 | I374-I396 HydrophobicContact CG2-CD1 4.2Å; I374-I396 HydrophobicContact CG2-CG1 4.5Å; L377-I396 HydrophobicContact CD2-CD1 4.03Å; L377-I396 HydrophobicContact CD2-CG2 4.27Å; L394-I396 HydrophobicContact CD1-CD1 3.63Å; L394-I396 HydrophobicContact CD1-CG1 3.79Å; I396-E398 WeakPolarHBondContact CG2-O 3.3Å; I396-V404 HydrophobicContact CB-CG1 4.5Å; I396-V404 HydrophobicContact CD1-CG1 4.06Å; I396-V404 HydrophobicContact CG2-CG1 3.88Å; I396-V404 HydrophobicContact CG2-CG2 4.35Å; I396-L408 HydrophobicContact CD1-CD1 4.36Å; I396-L408 HydrophobicContact CD1-CD2 4.36Å; I396-L408 HydrophobicContact CD1-CG 4.49Å; I396-S427 PolarHBondContact N-OG 2.65Å; I396-S427 CarbonylContact O-C 3.53Å; I396-S427 VanDerWaalsContact O-C 3.29Å; I396-S427 WeakPolarHBondContact O-CA 3.33Å; I396-S428 PolarHBondContact O-N 2.88Å; I396-V429 HydrophobicContact CG2-CB 4.43Å; I396-V429 HydrophobicContact CG2-CG2 4.23Å; I396-V429 WeakPolarHBondContact O-CG2 3.19Å; I396-V429 PolarHBondContact O-N 3.49Å | ||
| 397 | Q | 81.5 | Confident | 82.3 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | trans | -94 | -32.7 | -174.4 | -82 | 167.1 | 36.8 | 0 | 0 | 113 | S395 R426 S428 V429 H1429 Y1431 | S395-Q397 PolarHBondContact OG-NE2 2.87Å; Q397-R426 VanDerWaalsContact CG-O 3.3Å; Q397-R426 WeakPolarHBondContact CG-O 3.45Å; Q397-S428 PolarHBondContact O-OG 2.72Å; Q397-V429 VanDerWaalsContact C-CG2 3.43Å; Q397-V429 WeakPolarHBondContact O-CG2 3.47Å; Q397-H1429 PolarHBondContact O-CE1 3.34Å; Q397-Y1431 WeakPolarHBondContact CG-OH 3.09Å | ||
| 398 | E | 72.6 | Confident | 82.4 | Confident | 160 Ų | 160 | 47.2 Ų | 47.2 | 75% | 0.748 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -117.8 | 145.8 | -179.6 | -64.5 | 174 | -166.8 | 0 | 0 | 112.4 | I396 | I396-E398 WeakPolarHBondContact CG2-O 3.3Š|
| 399 | G | 67.5 | Low | 82.3 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 140.1 | 159.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V429 | G399-V429 WeakPolarHBondContact O-CG1 3.34Š|
| 400 | Q | 68.9 | Low | 82.2 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | trans | -72 | 122.8 | 170.7 | -74.4 | 179.4 | -32.9 | 0 | 0 | 109.5 | E402 I403 V404 | Q400-E402 VanDerWaalsContact C-N 3.25Å; Q400-E402 PolarHBondContact O-N 2.91Å; Q400-E402 VanDerWaalsContact O-N 3.1Å; Q400-I403 HydrophobicContact CB-CB 4.43Å; Q400-I403 HydrophobicContact CB-CD1 4.4Å; Q400-I403 HydrophobicContact CB-CG1 4.31Å; Q400-I403 PolarHBondContact O-N 3.39Å; Q400-V404 WeakPolarHBondContact O-CG2 3.45Å; Q400-V404 PolarHBondContact O-N 2.83Å | ||
| 401 | P | 69.8 | Low | 82.4 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -52 | -38.1 | -172.3 | -30.6 | 35.6 | 0 | 0 | 0 | 115.1 | V404 A405 V429 | P401-V404 PolarHBondContact O-N 2.9Å; P401-A405 VanDerWaalsContact O-CB 3.25Å; P401-A405 WeakPolarHBondContact O-CB 2.97Å; P401-A405 PolarHBondContact O-N 3.47Å; P401-V429 HydrophobicContact CB-CG1 4.27Å; P401-V429 HydrophobicContact CG-CG1 4.1Å |
| 402 | E | 64.3 | Low | 82.5 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.6 | -67.1 | 174.9 | -118.3 | 0 | 0 | 112.9 | Q400 A405 L406 Y612 | Q400-E402 VanDerWaalsContact C-N 3.25Å; Q400-E402 PolarHBondContact O-N 2.91Å; Q400-E402 VanDerWaalsContact O-N 3.1Å; E402-A405 PolarHBondContact O-N 2.8Å; E402-L406 WeakPolarHBondContact O-CB 3.24Å; E402-L406 PolarHBondContact O-N 3.25Å; E402-Y612 VanDerWaalsContact CD-CZ 3.5Å; E402-Y612 HydrophobicContact CG-CE2 4.38Å; E402-Y612 VanDerWaalsContact OE1-CE2 3.29Å; E402-Y612 WeakPolarHBondContact OE1-CE2 3.41Å; E402-Y612 VanDerWaalsContact OE1-CZ 3.29Å; E402-Y612 WeakPolarHBondContact OE2-CE2 3.32Å; E402-Y612 PolarHBondContact OE2-OH 2.95Å |
| 403 | I | 75.9 | Confident | 82.2 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 41% | 0.41 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.4 | -61.3 | -175.2 | 0 | 0 | 0 | 110.2 | Q400 L406 L407 | Q400-I403 HydrophobicContact CB-CB 4.43Å; Q400-I403 HydrophobicContact CB-CD1 4.4Å; Q400-I403 HydrophobicContact CB-CG1 4.31Å; Q400-I403 PolarHBondContact O-N 3.39Å; I403-L406 PolarHBondContact O-N 3.31Å; I403-L407 HydrophobicContact CG2-CD1 3.81Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CB 3.45Å; I403-L407 VanDerWaalsContact O-CG 3.28Å; I403-L407 WeakPolarHBondContact O-CG 3.29Å; I403-L407 PolarHBondContact O-N 2.78Å |
| 404 | V | 82.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L377 I396 Q400 P401 L407 L408 V429 L430 | L377-V404 HydrophobicContact CD1-CG2 4.17Å; L377-V404 HydrophobicContact CD2-CB 4.32Å; L377-V404 HydrophobicContact CD2-CG1 4.14Å; L377-V404 HydrophobicContact CD2-CG2 3.76Å; I396-V404 HydrophobicContact CB-CG1 4.5Å; I396-V404 HydrophobicContact CD1-CG1 4.06Å; I396-V404 HydrophobicContact CG2-CG1 3.88Å; I396-V404 HydrophobicContact CG2-CG2 4.35Å; Q400-V404 WeakPolarHBondContact O-CG2 3.45Å; Q400-V404 PolarHBondContact O-N 2.83Å; P401-V404 PolarHBondContact O-N 2.9Å; V404-L407 PolarHBondContact O-N 2.7Å; V404-L408 HydrophobicContact CG1-CD1 3.86Å; V404-L408 WeakPolarHBondContact O-CB 3.5Å; V404-L408 WeakPolarHBondContact O-CG 3.39Å; V404-L408 PolarHBondContact O-N 3.33Å; V404-V429 HydrophobicContact CB-CG1 3.84Å; V404-V429 HydrophobicContact CG1-CG1 4.07Å; V404-V429 HydrophobicContact CG2-CG1 3.71Å; V404-L430 HydrophobicContact CG1-CD2 4.18Å |
| 405 | A | 81.5 | Confident | 81.7 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P401 E402 L407 L408 D409 | P401-A405 VanDerWaalsContact O-CB 3.25Å; P401-A405 WeakPolarHBondContact O-CB 2.97Å; P401-A405 PolarHBondContact O-N 3.47Å; E402-A405 PolarHBondContact O-N 2.8Å; A405-L407 PolarHBondContact O-N 2.86Å; A405-L408 PolarHBondContact O-N 2.95Å; A405-D409 WeakPolarHBondContact O-CB 3.17Å; A405-D409 PolarHBondContact O-N 3.13Å |
| 406 | L | 81.8 | Confident | 81.6 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 179.1 | -178.9 | 65.7 | 0 | 0 | 0 | 112.7 | E402 I403 R410 | E402-L406 WeakPolarHBondContact O-CB 3.24Å; E402-L406 PolarHBondContact O-N 3.25Å; I403-L406 PolarHBondContact O-N 3.31Å; L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 PolarHBondContact O-N 3.16Å |
| 407 | L | 86.5 | Confident | 81.8 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.3 | -36.3 | 178.4 | -68.8 | 174.4 | 0 | 0 | 0 | 112.3 | L377 L380 I403 V404 A405 A411 | L377-L407 HydrophobicContact CB-CD1 4.21Å; L377-L407 HydrophobicContact CD1-CD1 4.19Å; L377-L407 HydrophobicContact CD2-CD1 4.44Å; L380-L407 HydrophobicContact CD1-CB 3.6Å; I403-L407 HydrophobicContact CG2-CD1 3.81Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CB 3.45Å; I403-L407 VanDerWaalsContact O-CG 3.28Å; I403-L407 WeakPolarHBondContact O-CG 3.29Å; I403-L407 PolarHBondContact O-N 2.78Å; V404-L407 PolarHBondContact O-N 2.7Å; A405-L407 PolarHBondContact O-N 2.86Å; L407-A411 WeakPolarHBondContact O-CB 2.96Å; L407-A411 PolarHBondContact O-N 3.37Å |
| 408 | L | 90.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 172.2 | -79.2 | 165.8 | 0 | 0 | 0 | 111.4 | L380 L394 I396 V404 A405 R410 A411 F412 L430 F435 | L380-L408 HydrophobicContact CD1-CG 4.43Å; L380-L408 HydrophobicContact CD2-CD2 3.64Å; L380-L408 HydrophobicContact CD2-CG 4.37Å; L394-L408 HydrophobicContact CD1-CD2 3.98Å; L394-L408 HydrophobicContact CD2-CD2 4.1Å; I396-L408 HydrophobicContact CD1-CD1 4.36Å; I396-L408 HydrophobicContact CD1-CD2 4.36Å; I396-L408 HydrophobicContact CD1-CG 4.49Å; V404-L408 HydrophobicContact CG1-CD1 3.86Å; V404-L408 WeakPolarHBondContact O-CB 3.5Å; V404-L408 WeakPolarHBondContact O-CG 3.39Å; V404-L408 PolarHBondContact O-N 3.33Å; A405-L408 PolarHBondContact O-N 2.95Å; L408-R410 VanDerWaalsContact C-N 3.33Å; L408-R410 PolarHBondContact O-N 3.32Å; L408-A411 PolarHBondContact O-N 2.63Å; L408-A411 VanDerWaalsContact O-N 3.12Å; L408-F412 HydrophobicContact CD2-CD2 4.3Å; L408-F412 HydrophobicContact CD2-CE2 3.87Å; L408-F412 WeakPolarHBondContact O-CB 3.47Å; L408-F412 WeakPolarHBondContact O-CD2 3.27Å; L408-F412 PolarHBondContact O-N 2.85Å; L408-L430 HydrophobicContact CD1-CD2 3.53Å; L408-F435 HydrophobicContact CB-CB 4.13Å; L408-F435 HydrophobicContact CB-CD1 4Å; L408-F435 HydrophobicContact CB-CD2 4.36Å; L408-F435 HydrophobicContact CB-CG 3.91Å; L408-F435 HydrophobicContact CD1-CD1 4.11Å; L408-F435 HydrophobicContact CD1-CE1 3.88Å; L408-F435 HydrophobicContact CD1-CZ 4.24Å; L408-F435 HydrophobicContact CD2-CE2 4.46Å |
| 409 | D | 86.9 | Confident | 82.8 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 178.6 | -149.6 | 58.7 | 0 | 0 | 0 | 111.2 | A405 A411 F412 A413 F435 R437 H438 | A405-D409 WeakPolarHBondContact O-CB 3.17Å; A405-D409 PolarHBondContact O-N 3.13Å; D409-A411 VanDerWaalsContact C-N 3.33Å; D409-A411 PolarHBondContact O-N 3.05Å; D409-F412 PolarHBondContact O-N 3.13Å; D409-A413 WeakPolarHBondContact O-CB 3.36Å; D409-A413 PolarHBondContact O-N 3.15Å; D409-F435 WeakPolarHBondContact OD1-CA 3.37Å; D409-R437 IonicContact OD1-CZ 3.92Å; D409-R437 VanDerWaalsContact OD1-CZ 3.3Å; D409-R437 IonicContact OD1-NH1 3.4Å; D409-R437 PolarHBondContact OD1-NH1 2.81Å; D409-R437 IonicContact OD1-NH2 2.82Å; D409-R437 PolarHBondContact OD1-NH2 2.98Å; D409-R437 VanDerWaalsContact OD1-NH2 3.15Å; D409-R437 IonicContact OD2-CZ 3.6Å; D409-R437 IonicContact OD2-NH1 3.51Å; D409-R437 IonicContact OD2-NH2 2.71Å; D409-R437 PolarHBondContact OD2-NH2 2.84Å; D409-H438 IonicContact OD1-CE1 3.81Å; D409-H438 PolarHBondContact OD1-CE1 3.36Å |
| 410 | R | 87.5 | Confident | 83.6 | Confident | 176 Ų | 176 | 52.8 Ų | 52.8 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 174.5 | -174.4 | -179.8 | -179.3 | -160.8 | -1 | 113.3 | L406 L408 | L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 PolarHBondContact O-N 3.16Å; L408-R410 VanDerWaalsContact C-N 3.33Å; L408-R410 PolarHBondContact O-N 3.32Å |
| 411 | A | 89 | Confident | 84.6 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.2 | -36.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L380 L383 L407 L408 D409 | L380-A411 HydrophobicContact CB-CB 4.07Å; L380-A411 HydrophobicContact CD2-CB 4.17Å; L383-A411 HydrophobicContact CB-CB 4.45Å; L383-A411 HydrophobicContact CD2-CB 4.22Å; L383-A411 HydrophobicContact CG-CB 4.49Å; L407-A411 WeakPolarHBondContact O-CB 2.96Å; L407-A411 PolarHBondContact O-N 3.37Å; L408-A411 PolarHBondContact O-N 2.63Å; L408-A411 VanDerWaalsContact O-N 3.12Å; D409-A411 VanDerWaalsContact C-N 3.33Å; D409-A411 PolarHBondContact O-N 3.05Å |
| 412 | F | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87 | -15.7 | -178.5 | -81.8 | -109.2 | 0 | 0 | 0 | 114.1 | L383 I392 L408 D409 N414 L415 F435 L436 H438 V439 | L383-F412 HydrophobicContact CD2-CD2 3.82Å; L383-F412 HydrophobicContact CD2-CE2 3.56Å; L383-F412 HydrophobicContact CD2-CZ 4.06Å; I392-F412 HydrophobicContact CD1-CE1 4.28Å; I392-F412 HydrophobicContact CD1-CZ 4.21Å; I392-F412 HydrophobicContact CG2-CZ 4.42Å; L408-F412 HydrophobicContact CD2-CD2 4.3Å; L408-F412 HydrophobicContact CD2-CE2 3.87Å; L408-F412 WeakPolarHBondContact O-CB 3.47Å; L408-F412 WeakPolarHBondContact O-CD2 3.27Å; L408-F412 PolarHBondContact O-N 2.85Å; D409-F412 PolarHBondContact O-N 3.13Å; F412-N414 PolarHBondContact O-N 2.88Å; F412-L415 HydrophobicContact CD1-CD2 3.71Å; F412-L415 HydrophobicContact CE1-CD2 3.81Å; F412-L415 HydrophobicContact CG-CD2 4.5Å; F412-L415 WeakPolarHBondContact O-CB 3.45Å; F412-L415 PolarHBondContact O-N 3.33Å; F412-F435 HydrophobicContact CB-CB 4.43Å; F412-F435 HydrophobicContact CB-CD2 4.43Å; F412-F435 AromaticContact CD1-CD2 3.92Å; F412-F435 HydrophobicContact CD1-CD2 3.92Å; F412-F435 HydrophobicContact CD1-CE2 4.43Å; F412-F435 AromaticContact CD2-CD2 3.78Å; F412-F435 HydrophobicContact CD2-CD2 3.78Å; F412-F435 HydrophobicContact CD2-CE2 4.35Å; F412-F435 HydrophobicContact CE1-CD2 4.05Å; F412-F435 HydrophobicContact CE1-CE2 4.1Å; F412-F435 AromaticContact CE2-CD2 3.92Å; F412-F435 HydrophobicContact CE2-CD2 3.92Å; F412-F435 HydrophobicContact CE2-CE2 4.01Å; F412-F435 AromaticContact CG-CD2 3.78Å; F412-F435 HydrophobicContact CG-CD2 3.78Å; F412-F435 HydrophobicContact CZ-CD2 4.05Å; F412-F435 AromaticContact CZ-CE2 3.88Å; F412-F435 HydrophobicContact CZ-CE2 3.88Å; F412-L436 HydrophobicContact CD1-CD2 4.17Å; F412-L436 HydrophobicContact CE1-CD2 3.83Å; F412-H438 VanDerWaalsContact O-CB 3.31Å; F412-H438 WeakPolarHBondContact O-CB 3.06Å; F412-V439 HydrophobicContact CD1-CG2 4.07Å |
| 413 | A | 86.5 | Confident | 87.1 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 26% | 0.256 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -41.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D409 R416 | D409-A413 WeakPolarHBondContact O-CB 3.36Å; D409-A413 PolarHBondContact O-N 3.15Å; A413-R416 PolarHBondContact O-NH1 3.4Å; A413-R416 PolarHBondContact O-NH2 3.23Å |
| 414 | N | 85.1 | Confident | 87.9 | Confident | 80 Ų | 80 | 38.9 Ų | 38.9 | 43% | 0.428 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -12.9 | -179.5 | -72 | 18.1 | 0 | 0 | 0 | 114.2 | C386 F412 | C386-N414 CarbonylContact O-C 3.57Å; F412-N414 PolarHBondContact O-N 2.88Å |
| 415 | L | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -76.1 | 126.7 | -173.5 | -171.6 | 74 | 0 | 0 | 0 | 110.3 | L383 C386 A389 I392 F412 I418 H438 V439 | L383-L415 HydrophobicContact CD1-CD1 4.42Å; C386-L415 HydrophobicContact CB-CD1 4.32Å; C386-L415 VanDerWaalsContact O-CA 3.28Å; C386-L415 WeakPolarHBondContact O-CA 3.38Å; C386-L415 PolarHBondContact O-N 3.44Å; A389-L415 HydrophobicContact CB-CD1 4.11Å; I392-L415 HydrophobicContact CD1-CD2 3.59Å; F412-L415 HydrophobicContact CD1-CD2 3.71Å; F412-L415 HydrophobicContact CE1-CD2 3.81Å; F412-L415 HydrophobicContact CG-CD2 4.5Å; F412-L415 WeakPolarHBondContact O-CB 3.45Å; F412-L415 PolarHBondContact O-N 3.33Å; L415-I418 HydrophobicContact CD2-CD1 4.05Å; L415-I418 HydrophobicContact CD2-CG1 4.09Å; L415-H438 CarbonylContact O-C 3.59Å; L415-H438 VanDerWaalsContact O-C 3.28Å; L415-V439 HydrophobicContact CD2-CG2 4.11Å; L415-V439 HydrophobicContact CG-CG2 4.43Å | ||
| 416 | R | 89.5 | Confident | 88.8 | Confident | 64 Ų | 64 | 37.7 Ų | 37.7 | 24% | 0.242 | 18% | 0.18 | C | C | . | . | trans | -120.8 | -30.7 | -178.8 | -61.4 | -70.6 | 168.8 | -82.5 | -4.7 | 113.3 | Y387 A413 H438 R440 S441 | Y387-R416 HydrophobicContact CD2-CB 4.09Å; Y387-R416 HydrophobicContact CD2-CG 3.82Å; Y387-R416 HydrophobicContact CE1-CB 4.41Å; Y387-R416 HydrophobicContact CE2-CB 3.67Å; Y387-R416 HydrophobicContact CE2-CG 3.5Å; Y387-R416 PolarHBondContact O-N 2.86Å; A413-R416 PolarHBondContact O-NH1 3.4Å; A413-R416 PolarHBondContact O-NH2 3.23Å; R416-H438 VanDerWaalsContact CD-O 3.32Å; R416-H438 WeakPolarHBondContact CD-O 3.33Å; R416-H438 PolarHBondContact NH1-O 3.31Å; R416-R440 PolarHBondContact O-N 3.31Å; R416-S441 PolarHBondContact O-N 2.94Å; R416-S441 VanDerWaalsContact O-N 3.16Å | ||
| 417 | V | 88.9 | Confident | 89.2 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 12% | 0.121 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.3 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | Y387 S388 A389 S441 | Y387-V417 HydrophobicContact CE1-CG2 4.08Å; Y387-V417 PolarHBondContact O-N 3Å; S388-V417 CarbonylContact C-O 3.58Å; S388-V417 WeakPolarHBondContact CA-O 3.22Å; S388-V417 VanDerWaalsContact CB-O 3.24Å; S388-V417 WeakPolarHBondContact CB-O 3.37Å; A389-V417 PolarHBondContact N-O 3.43Å; V417-S441 CarbonylContact C-O 3.56Å; V417-S441 WeakPolarHBondContact CA-O 3.49Å |
| 418 | I | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 103.3 | 174.1 | -57.2 | 175.1 | 0 | 0 | 0 | 109.2 | A389 I392 L415 H420 S421 L422 V439 S441 I442 G443 | A389-I418 CarbonylContact O-C 3.58Å; A389-I418 WeakPolarHBondContact O-CA 3.28Å; I392-I418 HydrophobicContact CD1-CD1 4.02Å; I392-I418 HydrophobicContact CD1-CG1 4.41Å; L415-I418 HydrophobicContact CD2-CD1 4.05Å; L415-I418 HydrophobicContact CD2-CG1 4.09Å; I418-H420 PolarHBondContact O-N 3.44Å; I418-S421 WeakPolarHBondContact CG2-O 3.19Å; I418-L422 HydrophobicContact CD1-CB 3.96Å; I418-L422 HydrophobicContact CD1-CD1 4.23Å; I418-L422 HydrophobicContact CD1-CD2 3.98Å; I418-L422 HydrophobicContact CD1-CG 4.28Å; I418-V439 HydrophobicContact CD1-CG1 4.14Å; I418-V439 HydrophobicContact CG1-CG1 4.29Å; I418-S441 PolarHBondContact N-O 2.98Å; I418-I442 HydrophobicContact CB-CG1 4.43Å; I418-I442 HydrophobicContact CB-CG2 4.21Å; I418-I442 HydrophobicContact CG2-CG2 4.37Å; I418-I442 CarbonylContact O-C 3.38Å; I418-I442 VanDerWaalsContact O-CA 3.26Å; I418-I442 WeakPolarHBondContact O-CA 3.39Å; I418-G443 PolarHBondContact O-N 3.04Å |
| 419 | H | 84.7 | Confident | 88.8 | Confident | 73 Ų | 73 | 30.8 Ų | 30.8 | 34% | 0.338 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | -31.7 | -163.1 | -66 | -75.6 | 0 | 0 | 0 | 115.6 | H368 S388 A389 G443 Q444 | H368-H419 AromaticContact ND1-NE2 3.45Å; H368-H419 PolarHBondContact ND1-NE2 3.25Å; S388-H419 WeakPolarHBondContact CB-NE2 3.32Å; S388-H419 PolarHBondContact OG-NE2 3.31Å; A389-H419 PolarHBondContact O-CD2 2.83Å; A389-H419 PolarHBondContact O-N 3.05Å; H419-G443 CarbonylContact O-C 3.58Å; H419-G443 WeakPolarHBondContact O-CA 3.2Å; H419-Q444 PolarHBondContact O-N 2.64Å |
| 420 | H | 84.8 | Confident | 88.9 | Confident | 51 Ų | 51 | 28.9 Ų | 28.9 | 24% | 0.236 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -62.7 | -174.9 | -65.1 | -165.4 | 0 | 0 | 0 | 113.4 | K390 A391 I418 H452 | K390-H420 WeakPolarHBondContact CE-CE1 3.2Å; K390-H420 VanDerWaalsContact O-CB 3.26Å; K390-H420 WeakPolarHBondContact O-CB 3.31Å; K390-H420 PolarHBondContact O-N 2.81Å; A391-H420 HydrophobicContact CB-CB 4.41Å; I418-H420 PolarHBondContact O-N 3.44Å; H420-H452 AromaticContact CE1-CD2 3.75Å; H420-H452 AromaticContact CE1-NE2 3.52Å; H420-H452 AromaticContact CG-CD2 3.62Å; H420-H452 AromaticContact CG-NE2 3.85Å; H420-H452 AromaticContact ND1-CD2 3.04Å; H420-H452 PolarHBondContact ND1-CD2 2.78Å; H420-H452 AromaticContact ND1-NE2 2.85Å; H420-H452 PolarHBondContact ND1-NE2 3.45Å |
| 421 | S | 88.8 | Confident | 88.7 | Confident | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 152.3 | -180 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | A391 I392 I418 I454 V455 | A391-S421 CarbonylContact C-O 3.53Å; A391-S421 VanDerWaalsContact CA-O 3.28Å; A391-S421 WeakPolarHBondContact CA-O 3.33Å; I392-S421 PolarHBondContact N-O 3.4Å; I418-S421 WeakPolarHBondContact CG2-O 3.19Å; S421-I454 VanDerWaalsContact CB-O 3.27Å; S421-I454 WeakPolarHBondContact CB-O 3.42Å; S421-V455 CarbonylContact C-O 3.42Å; S421-V455 WeakPolarHBondContact CA-O 3.35Å; S421-V455 WeakPolarHBondContact CB-O 3.43Å |
| 422 | L | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.2 | 170 | 171.2 | 61 | 0 | 0 | 0 | 109 | I392 I418 I424 L436 I442 V455 F456 E457 | I392-L422 HydrophobicContact CB-CD1 3.91Å; I392-L422 HydrophobicContact CG2-CD1 4.02Å; I392-L422 WeakPolarHBondContact O-CA 3.12Å; I418-L422 HydrophobicContact CD1-CB 3.96Å; I418-L422 HydrophobicContact CD1-CD1 4.23Å; I418-L422 HydrophobicContact CD1-CD2 3.98Å; I418-L422 HydrophobicContact CD1-CG 4.28Å; L422-I424 HydrophobicContact CD1-CG1 4.21Å; L422-I424 HydrophobicContact CG-CG1 4.47Å; L422-L436 HydrophobicContact CD2-CD1 4.3Å; L422-L436 HydrophobicContact CD2-CD2 3.76Å; L422-I442 HydrophobicContact CB-CD1 4.03Å; L422-I442 HydrophobicContact CB-CG2 4.43Å; L422-I442 HydrophobicContact CD2-CD1 3.91Å; L422-V455 PolarHBondContact N-O 3.18Å; L422-F456 HydrophobicContact CB-CD2 4.24Å; L422-F456 HydrophobicContact CD2-CD2 4.12Å; L422-F456 HydrophobicContact CD2-CE2 3.81Å; L422-F456 HydrophobicContact CG-CD2 4.21Å; L422-F456 HydrophobicContact CG-CE2 4.2Å; L422-F456 WeakPolarHBondContact O-CA 3.45Å; L422-E457 PolarHBondContact O-N 3.07Å |
| 423 | R | 93.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 114.6 | -177.7 | -55.7 | -176.8 | 179.2 | -131.1 | 9.4 | 109.9 | I392 Y393 L394 V425 I454 E457 | I392-R423 PolarHBondContact O-N 2.88Å; Y393-R423 CarbonylContact C-O 3.55Å; Y393-R423 WeakPolarHBondContact CA-O 3.23Å; Y393-R423 HydrophobicContact CD2-CB 3.96Å; Y393-R423 HydrophobicContact CE2-CB 4.46Å; L394-R423 PolarHBondContact N-O 3.32Å; R423-V425 HydrophobicContact CB-CG2 4.13Å; R423-I454 PolarHBondContact NH2-O 2.83Å; R423-E457 CarbonylContact C-O 3.5Å; R423-E457 WeakPolarHBondContact CA-O 3.44Å; R423-E457 HydrophobicContact CB-CB 4.1Å; R423-E457 WeakPolarHBondContact CD-OE2 3.34Å; R423-E457 HydrophobicContact CG-CB 3.9Å; R423-E457 IonicContact CZ-OE2 2.71Å; R423-E457 IonicContact NE-OE2 2.71Å; R423-E457 IonicContact NH1-OE2 3.18Å; R423-E457 PolarHBondContact NH1-OE2 3.07Å |
| 424 | I | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 96.5 | 175.9 | -53.5 | 179.7 | 0 | 0 | 0 | 106.5 | L394 L422 L430 L433 F435 L436 E457 L458 F459 N461 | L394-I424 HydrophobicContact CB-CG1 4.28Å; L394-I424 HydrophobicContact CD2-CD1 4.3Å; L394-I424 HydrophobicContact CD2-CG1 4.13Å; L394-I424 HydrophobicContact CD2-CG2 4.13Å; L394-I424 HydrophobicContact CG-CG2 4.5Å; L422-I424 HydrophobicContact CD1-CG1 4.21Å; L422-I424 HydrophobicContact CG-CG1 4.47Å; I424-L430 HydrophobicContact CG2-CD1 3.83Å; I424-L433 HydrophobicContact CD1-CD1 4.26Å; I424-L433 HydrophobicContact CD1-CD2 3.95Å; I424-L433 HydrophobicContact CG2-CD2 4.39Å; I424-F435 HydrophobicContact CD1-CE2 4.38Å; I424-F435 HydrophobicContact CD1-CZ 4.05Å; I424-L436 HydrophobicContact CD1-CD1 3.99Å; I424-L436 HydrophobicContact CD1-CD2 4.47Å; I424-E457 PolarHBondContact N-O 3.01Å; I424-L458 HydrophobicContact CB-CD2 3.79Å; I424-L458 HydrophobicContact CD1-CD2 4.04Å; I424-L458 HydrophobicContact CG1-CD2 4.17Å; I424-F459 PolarHBondContact O-N 2.92Å; I424-F459 VanDerWaalsContact O-N 3.12Å; I424-N461 PolarHBondContact O-ND2 3.12Å; I424-N461 PolarHBondContact O-OD1 3.11Å |
| 425 | V | 91.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.7 | -169.6 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | Y393 L394 S395 R423 S427 E457 F459 Y1454 | Y393-V425 HydrophobicContact CE1-CB 4.44Å; Y393-V425 HydrophobicContact CE2-CB 4.33Å; Y393-V425 HydrophobicContact CE2-CG2 3.98Å; L394-V425 PolarHBondContact O-N 3.46Å; S395-V425 WeakPolarHBondContact CA-O 3.06Å; S395-V425 WeakPolarHBondContact CB-O 3.49Å; S395-V425 PolarHBondContact OG-O 3.15Å; R423-V425 HydrophobicContact CB-CG2 4.13Å; V425-S427 PolarHBondContact O-N 3.27Å; V425-S427 VanDerWaalsContact O-N 3.14Å; V425-E457 HydrophobicContact CG2-CG 4.47Å; V425-F459 CarbonylContact C-O 3.6Å; V425-F459 WeakPolarHBondContact CA-O 3.42Å; V425-F459 HydrophobicContact CG1-CB 4.45Å; V425-F459 HydrophobicContact CG1-CD1 4.06Å; V425-F459 HydrophobicContact CG2-CB 4.36Å; V425-Y1454 HydrophobicContact CG1-CE2 4.39Å |
| 426 | R | 89.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 23 Ų | 23 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 54.3 | 36.1 | 172 | -78.2 | 170.9 | 164.9 | 117.2 | -3.8 | 113.8 | Q397 S428 F459 G460 N461 Y1431 Y1454 | Q397-R426 VanDerWaalsContact CG-O 3.3Å; Q397-R426 WeakPolarHBondContact CG-O 3.45Å; R426-S428 VanDerWaalsContact C-N 3.26Å; R426-S428 PolarHBondContact O-N 3.08Å; R426-S428 VanDerWaalsContact O-N 3.08Å; R426-F459 PolarHBondContact N-O 2.77Å; R426-G460 WeakPolarHBondContact CA-O 3.44Å; R426-N461 PolarHBondContact N-OD1 3.45Å; R426-Y1431 HydrophobicContact CB-CE1 4.14Å; R426-Y1431 HydrophobicContact CB-CE2 4.15Å; R426-Y1431 WeakPolarHBondContact CB-OH 3.48Å; R426-Y1431 HydrophobicContact CG-CD1 4.25Å; R426-Y1431 HydrophobicContact CG-CE1 3.67Å; R426-Y1431 HydrophobicContact CG-CE2 4.23Å; R426-Y1431 VanDerWaalsContact NE-CD1 3.29Å; R426-Y1431 PolarHBondContact O-OH 3.04Å; R426-Y1454 HydrophobicContact CB-CE1 4.47Å; R426-Y1454 VanDerWaalsContact CD-CD1 3.45Å; R426-Y1454 VanDerWaalsContact CD-CZ 3.45Å; R426-Y1454 HydrophobicContact CG-CE1 4.38Å; R426-Y1454 VanDerWaalsContact CZ-CG 3.42Å |
| 427 | S | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -84.5 | 70 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 110 | L394 S395 I396 V425 V429 L430 N461 | L394-S427 PolarHBondContact O-OG 3.18Å; L394-S427 VanDerWaalsContact O-OG 3.11Å; S395-S427 VanDerWaalsContact CA-OG 3.26Å; S395-S427 WeakPolarHBondContact CA-OG 3.19Å; I396-S427 PolarHBondContact N-OG 2.65Å; I396-S427 CarbonylContact O-C 3.53Å; I396-S427 VanDerWaalsContact O-C 3.29Å; I396-S427 WeakPolarHBondContact O-CA 3.33Å; V425-S427 PolarHBondContact O-N 3.27Å; V425-S427 VanDerWaalsContact O-N 3.14Å; S427-V429 PolarHBondContact O-N 2.67Å; S427-L430 VanDerWaalsContact CB-CD1 3.48Å; S427-L430 WeakPolarHBondContact O-CB 3.44Å; S427-L430 PolarHBondContact O-N 2.81Å; S427-N461 PolarHBondContact N-OD1 3.11Å | ||
| 428 | S | 84.1 | Confident | 87.8 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -8.6 | -173.6 | 49 | 0 | 0 | 0 | 0 | 115.3 | I396 Q397 R426 N463 H1429 | I396-S428 PolarHBondContact O-N 2.88Å; Q397-S428 PolarHBondContact O-OG 2.72Å; R426-S428 VanDerWaalsContact C-N 3.26Å; R426-S428 PolarHBondContact O-N 3.08Å; R426-S428 VanDerWaalsContact O-N 3.08Å; S428-N463 WeakPolarHBondContact O-CB 3.49Å; S428-N463 PolarHBondContact O-ND2 3.24Å; S428-H1429 PolarHBondContact OG-CE1 3.48Å; S428-H1429 PolarHBondContact OG-ND1 3.04Å; S428-H1429 VanDerWaalsContact OG-ND1 3.12Å |
| 429 | V | 84 | Confident | 87.7 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.1 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | I396 Q397 G399 P401 V404 S427 N431 | I396-V429 HydrophobicContact CG2-CB 4.43Å; I396-V429 HydrophobicContact CG2-CG2 4.23Å; I396-V429 WeakPolarHBondContact O-CG2 3.19Å; I396-V429 PolarHBondContact O-N 3.49Å; Q397-V429 VanDerWaalsContact C-CG2 3.43Å; Q397-V429 WeakPolarHBondContact O-CG2 3.47Å; G399-V429 WeakPolarHBondContact O-CG1 3.34Å; P401-V429 HydrophobicContact CB-CG1 4.27Å; P401-V429 HydrophobicContact CG-CG1 4.1Å; V404-V429 HydrophobicContact CB-CG1 3.84Å; V404-V429 HydrophobicContact CG1-CG1 4.07Å; V404-V429 HydrophobicContact CG2-CG1 3.71Å; S427-V429 PolarHBondContact O-N 2.67Å; V429-N431 PolarHBondContact O-N 2.97Å |
| 430 | L | 88.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | trans | -84.1 | 113.5 | -175.2 | -57 | -177.1 | 0 | 0 | 0 | 111.8 | L394 V404 L408 I424 S427 L433 F435 N463 L464 | L394-L430 HydrophobicContact CD2-CD1 4.11Å; V404-L430 HydrophobicContact CG1-CD2 4.18Å; L408-L430 HydrophobicContact CD1-CD2 3.53Å; I424-L430 HydrophobicContact CG2-CD1 3.83Å; S427-L430 VanDerWaalsContact CB-CD1 3.48Å; S427-L430 WeakPolarHBondContact O-CB 3.44Å; S427-L430 PolarHBondContact O-N 2.81Å; L430-L433 HydrophobicContact CD1-CD2 4.06Å; L430-F435 HydrophobicContact CD1-CE1 4.15Å; L430-F435 HydrophobicContact CD1-CZ 4.2Å; L430-F435 HydrophobicContact CD2-CE1 4.33Å; L430-N463 CarbonylContact O-C 3.59Å; L430-L464 HydrophobicContact CB-CD1 4.27Å; L430-L464 VanDerWaalsContact O-CA 3.32Å; L430-L464 WeakPolarHBondContact O-CA 3.35Å; L430-L464 PolarHBondContact O-N 2.92Å | ||
| 431 | N | 83.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 28.3 Ų | 28.3 | 17% | 0.166 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -85.6 | -25.3 | 171 | -64.3 | -25.4 | 0 | 0 | 0 | 112.2 | V429 R465 D466 | V429-N431 PolarHBondContact O-N 2.97Å; N431-R465 PolarHBondContact O-N 3.38Å; N431-D466 PolarHBondContact O-N 2.71Å |
| 432 | N | 86.1 | Confident | 87.9 | Confident | 64 Ų | 64 | 27.9 Ų | 27.9 | 34% | 0.342 | 13% | 0.126 | S | C | . | . | trans | -147.1 | 174.5 | 174.3 | 68 | 64.5 | 0 | 0 | 0 | 111.2 | N434 D466 | N432-N434 VanDerWaalsContact OD1-CB 3.3Å; N432-N434 WeakPolarHBondContact OD1-CB 3.16Å; N432-N434 PolarHBondContact OD1-N 2.86Å; N432-D466 WeakPolarHBondContact CA-O 3.03Å; N432-D466 HydrophobicContact CB-CB 3.93Å | ||
| 433 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -113.4 | 25.2 | 177.7 | -55 | -175.5 | 0 | 0 | 0 | 113.5 | I424 L430 F435 L436 L458 L464 L467 W468 | I424-L433 HydrophobicContact CD1-CD1 4.26Å; I424-L433 HydrophobicContact CD1-CD2 3.95Å; I424-L433 HydrophobicContact CG2-CD2 4.39Å; L430-L433 HydrophobicContact CD1-CD2 4.06Å; L433-F435 HydrophobicContact CD2-CE1 4.26Å; L433-F435 HydrophobicContact CD2-CZ 4.26Å; L433-F435 PolarHBondContact O-N 3.15Å; L433-L436 HydrophobicContact CB-CD1 3.95Å; L433-L436 HydrophobicContact CB-CG 4.23Å; L433-L436 HydrophobicContact CD1-CD1 3.95Å; L433-L436 WeakPolarHBondContact O-CB 3.46Å; L433-L436 PolarHBondContact O-N 2.61Å; L433-L458 HydrophobicContact CD1-CD1 3.83Å; L433-L458 HydrophobicContact CD1-CD2 3.71Å; L433-L458 HydrophobicContact CD1-CG 4.45Å; L433-L464 HydrophobicContact CD1-CD2 4.32Å; L433-L464 HydrophobicContact CD2-CD1 3.71Å; L433-L464 HydrophobicContact CD2-CD2 4.25Å; L433-L464 HydrophobicContact CG-CD1 3.91Å; L433-L464 HydrophobicContact CG-CD2 4.22Å; L433-L467 CarbonylContact C-O 3.56Å; L433-L467 WeakPolarHBondContact CA-O 3.4Å; L433-L467 HydrophobicContact CD1-CD2 3.82Å; L433-L467 HydrophobicContact CG-CD2 4.48Å; L433-L467 PolarHBondContact N-O 2.84Å; L433-W468 HydrophobicContact CB-CE3 4.25Å; L433-W468 HydrophobicContact CD1-CZ3 4.47Å | ||
| 434 | N | 85.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -60.2 | -18.9 | -167.7 | -166.1 | 29.1 | 0 | 0 | 0 | 115 | N432 L436 R437 L467 | N432-N434 VanDerWaalsContact OD1-CB 3.3Å; N432-N434 WeakPolarHBondContact OD1-CB 3.16Å; N432-N434 PolarHBondContact OD1-N 2.86Å; N434-L436 PolarHBondContact O-N 2.79Å; N434-R437 VanDerWaalsContact O-CG 3.29Å; N434-R437 WeakPolarHBondContact O-CG 3.38Å; N434-R437 PolarHBondContact O-N 3.49Å; N434-R437 PolarHBondContact O-NH1 2.69Å; N434-L467 PolarHBondContact N-O 3.37Å |
| 435 | F | 86.7 | Confident | 85 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -64.2 | -21 | 172.2 | 60.5 | -90 | 0 | 0 | 0 | 113.5 | L394 L408 D409 F412 I424 L430 L433 R437 H438 | L394-F435 HydrophobicContact CD2-CE2 4.1Å; L394-F435 HydrophobicContact CD2-CZ 3.76Å; L408-F435 HydrophobicContact CB-CB 4.13Å; L408-F435 HydrophobicContact CB-CD1 4Å; L408-F435 HydrophobicContact CB-CD2 4.36Å; L408-F435 HydrophobicContact CB-CG 3.91Å; L408-F435 HydrophobicContact CD1-CD1 4.11Å; L408-F435 HydrophobicContact CD1-CE1 3.88Å; L408-F435 HydrophobicContact CD1-CZ 4.24Å; L408-F435 HydrophobicContact CD2-CE2 4.46Å; D409-F435 WeakPolarHBondContact OD1-CA 3.37Å; F412-F435 HydrophobicContact CB-CB 4.43Å; F412-F435 HydrophobicContact CB-CD2 4.43Å; F412-F435 AromaticContact CD1-CD2 3.92Å; F412-F435 HydrophobicContact CD1-CD2 3.92Å; F412-F435 HydrophobicContact CD1-CE2 4.43Å; F412-F435 AromaticContact CD2-CD2 3.78Å; F412-F435 HydrophobicContact CD2-CD2 3.78Å; F412-F435 HydrophobicContact CD2-CE2 4.35Å; F412-F435 HydrophobicContact CE1-CD2 4.05Å; F412-F435 HydrophobicContact CE1-CE2 4.1Å; F412-F435 AromaticContact CE2-CD2 3.92Å; F412-F435 HydrophobicContact CE2-CD2 3.92Å; F412-F435 HydrophobicContact CE2-CE2 4.01Å; F412-F435 AromaticContact CG-CD2 3.78Å; F412-F435 HydrophobicContact CG-CD2 3.78Å; F412-F435 HydrophobicContact CZ-CD2 4.05Å; F412-F435 AromaticContact CZ-CE2 3.88Å; F412-F435 HydrophobicContact CZ-CE2 3.88Å; I424-F435 HydrophobicContact CD1-CE2 4.38Å; I424-F435 HydrophobicContact CD1-CZ 4.05Å; L430-F435 HydrophobicContact CD1-CE1 4.15Å; L430-F435 HydrophobicContact CD1-CZ 4.2Å; L430-F435 HydrophobicContact CD2-CE1 4.33Å; L433-F435 HydrophobicContact CD2-CE1 4.26Å; L433-F435 HydrophobicContact CD2-CZ 4.26Å; L433-F435 PolarHBondContact O-N 3.15Å; F435-R437 VanDerWaalsContact C-N 3.29Å; F435-R437 PolarHBondContact O-N 3.19Å; F435-H438 PolarHBondContact O-ND1 3.41Å |
| 436 | L | 88.3 | Confident | 83.4 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -72.2 | -14.9 | 177.8 | -66.1 | -174 | 0 | 0 | 0 | 114.3 | F412 L422 I424 L433 N434 H438 V439 W468 | F412-L436 HydrophobicContact CD1-CD2 4.17Å; F412-L436 HydrophobicContact CE1-CD2 3.83Å; L422-L436 HydrophobicContact CD2-CD1 4.3Å; L422-L436 HydrophobicContact CD2-CD2 3.76Å; I424-L436 HydrophobicContact CD1-CD1 3.99Å; I424-L436 HydrophobicContact CD1-CD2 4.47Å; L433-L436 HydrophobicContact CB-CD1 3.95Å; L433-L436 HydrophobicContact CB-CG 4.23Å; L433-L436 HydrophobicContact CD1-CD1 3.95Å; L433-L436 WeakPolarHBondContact O-CB 3.46Å; L433-L436 PolarHBondContact O-N 2.61Å; N434-L436 PolarHBondContact O-N 2.79Å; L436-H438 PolarHBondContact O-N 3.27Å; L436-V439 PolarHBondContact O-N 3.05Å; L436-W468 HydrophobicContact CB-CD2 4.28Å; L436-W468 HydrophobicContact CB-CE3 4.25Å; L436-W468 HydrophobicContact CD1-CE3 4.06Å; L436-W468 HydrophobicContact CD1-CZ3 4Å |
| 437 | R | 82.9 | Confident | 81.7 | Confident | 101 Ų | 101 | 40.6 Ų | 40.6 | 38% | 0.381 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -55.9 | -14.8 | 177.2 | 76.7 | -175.5 | 179.8 | -80.4 | -6.2 | 114.4 | D409 N434 F435 | D409-R437 IonicContact OD1-CZ 3.92Å; D409-R437 VanDerWaalsContact OD1-CZ 3.3Å; D409-R437 IonicContact OD1-NH1 3.4Å; D409-R437 PolarHBondContact OD1-NH1 2.81Å; D409-R437 IonicContact OD1-NH2 2.82Å; D409-R437 PolarHBondContact OD1-NH2 2.98Å; D409-R437 VanDerWaalsContact OD1-NH2 3.15Å; D409-R437 IonicContact OD2-CZ 3.6Å; D409-R437 IonicContact OD2-NH1 3.51Å; D409-R437 IonicContact OD2-NH2 2.71Å; D409-R437 PolarHBondContact OD2-NH2 2.84Å; N434-R437 VanDerWaalsContact O-CG 3.29Å; N434-R437 WeakPolarHBondContact O-CG 3.38Å; N434-R437 PolarHBondContact O-N 3.49Å; N434-R437 PolarHBondContact O-NH1 2.69Å; F435-R437 VanDerWaalsContact C-N 3.29Å; F435-R437 PolarHBondContact O-N 3.19Å |
| 438 | H | 83.2 | Confident | 79.9 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -81.7 | -23.2 | 176.9 | -59.2 | 113.2 | 0 | 0 | 0 | 113.5 | D409 F412 L415 R416 F435 L436 | D409-H438 IonicContact OD1-CE1 3.81Å; D409-H438 PolarHBondContact OD1-CE1 3.36Å; F412-H438 VanDerWaalsContact O-CB 3.31Å; F412-H438 WeakPolarHBondContact O-CB 3.06Å; L415-H438 CarbonylContact O-C 3.59Å; L415-H438 VanDerWaalsContact O-C 3.28Å; R416-H438 VanDerWaalsContact CD-O 3.32Å; R416-H438 WeakPolarHBondContact CD-O 3.33Å; R416-H438 PolarHBondContact NH1-O 3.31Å; F435-H438 PolarHBondContact O-ND1 3.41Å; L436-H438 PolarHBondContact O-N 3.27Å |
| 439 | V | 88.4 | Confident | 78.3 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | trans | -89.4 | 130.7 | -172.3 | -175 | 0 | 0 | 0 | 0 | 110.4 | F412 L415 I418 L436 I442 L481 | F412-V439 HydrophobicContact CD1-CG2 4.07Å; L415-V439 HydrophobicContact CD2-CG2 4.11Å; L415-V439 HydrophobicContact CG-CG2 4.43Å; I418-V439 HydrophobicContact CD1-CG1 4.14Å; I418-V439 HydrophobicContact CG1-CG1 4.29Å; L436-V439 PolarHBondContact O-N 3.05Å; V439-I442 HydrophobicContact CG1-CG1 4.34Å; V439-L481 HydrophobicContact CB-CD1 4.37Å; V439-L481 HydrophobicContact CG1-CD1 4.01Å | ||
| 440 | R | 86.6 | Confident | 76.8 | Confident | 161 Ų | 161 | 54.9 Ų | 54.9 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | trans | -102.3 | -33.8 | -178.9 | -69.1 | -175.4 | 171.4 | -179.4 | -5.6 | 113.7 | R416 Q482 | R416-R440 PolarHBondContact O-N 3.31Å; R440-Q482 PolarHBondContact O-N 3.42Å | ||
| 441 | S | 87.8 | Confident | 75 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.3 | 179.7 | 63.6 | 0 | 0 | 0 | 0 | 115.8 | R416 V417 I418 Q482 | R416-S441 PolarHBondContact O-N 2.94Å; R416-S441 VanDerWaalsContact O-N 3.16Å; V417-S441 CarbonylContact C-O 3.56Å; V417-S441 WeakPolarHBondContact CA-O 3.49Å; I418-S441 PolarHBondContact N-O 2.98Å; S441-Q482 CarbonylContact C-O 3.57Å; S441-Q482 WeakPolarHBondContact CA-O 3.49Å; S441-Q482 WeakPolarHBondContact CB-O 3.43Å |
| 442 | I | 88.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.7 | 178.6 | -47.3 | 177.4 | 0 | 0 | 0 | 109.1 | I418 L422 V439 V455 F456 L481 Q482 I483 L484 | I418-I442 HydrophobicContact CB-CG1 4.43Å; I418-I442 HydrophobicContact CB-CG2 4.21Å; I418-I442 HydrophobicContact CG2-CG2 4.37Å; I418-I442 CarbonylContact O-C 3.38Å; I418-I442 VanDerWaalsContact O-CA 3.26Å; I418-I442 WeakPolarHBondContact O-CA 3.39Å; L422-I442 HydrophobicContact CB-CD1 4.03Å; L422-I442 HydrophobicContact CB-CG2 4.43Å; L422-I442 HydrophobicContact CD2-CD1 3.91Å; V439-I442 HydrophobicContact CG1-CG1 4.34Å; I442-V455 HydrophobicContact CB-CG1 4.33Å; I442-V455 HydrophobicContact CG2-CG1 3.68Å; I442-F456 HydrophobicContact CD1-CD2 3.97Å; I442-F456 HydrophobicContact CD1-CE2 4.49Å; I442-L481 HydrophobicContact CD1-CD1 4.1Å; I442-L481 HydrophobicContact CD1-CD2 3.96Å; I442-L481 HydrophobicContact CD1-CG 4.34Å; I442-L481 HydrophobicContact CG1-CD1 4.03Å; I442-Q482 PolarHBondContact N-O 2.75Å; I442-I483 HydrophobicContact CB-CD1 4.02Å; I442-I483 HydrophobicContact CD1-CD1 4.31Å; I442-I483 HydrophobicContact CG1-CD1 4.42Å; I442-I483 CarbonylContact O-C 3.57Å; I442-I483 WeakPolarHBondContact O-CA 3.39Å; I442-L484 PolarHBondContact O-N 3.29Å |
| 443 | G | 81 | Confident | 72.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 99.2 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I418 H419 S485 | I418-G443 PolarHBondContact O-N 3.04Å; H419-G443 CarbonylContact O-C 3.58Å; H419-G443 WeakPolarHBondContact O-CA 3.2Å; G443-S485 WeakPolarHBondContact CA-OG 3.48Å |
| 444 | Q | 72.5 | Confident | 72.4 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | trans | -143.8 | 130.7 | 179.2 | -179.2 | -179.8 | -6.4 | 0 | 0 | 111.2 | H419 G447 L484 S485 | H419-Q444 PolarHBondContact O-N 2.64Å; Q444-G447 PolarHBondContact O-N 3.1Å; Q444-L484 CarbonylContact C-O 3.54Å; Q444-L484 PolarHBondContact N-O 3.19Å; Q444-S485 PolarHBondContact N-OG 2.9Å; Q444-S485 PolarHBondContact O-OG 2.83Å | ||
| 445 | I | 65.2 | Low | 72.4 | Confident | 117 Ų | 117 | 61.3 Ų | 61.3 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 133 | 176.5 | -55.6 | 174.3 | 0 | 0 | 0 | 109.6 | G447 L484 | I445-G447 VanDerWaalsContact C-N 3.33Å; I445-G447 PolarHBondContact O-N 3.4Å; I445-L484 HydrophobicContact CG1-CB 4.25Å; I445-L484 PolarHBondContact N-O 3.5Å |
| 446 | G | 59 | Low | 72.6 | Confident | 82 Ų | 82 | 61 Ų | 61 | 85% | 0.845 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 447 | G | 54.8 | Low | 72.7 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | trans | -68.1 | 144.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q444 I445 I449 | Q444-G447 PolarHBondContact O-N 3.1Å; I445-G447 VanDerWaalsContact C-N 3.33Å; I445-G447 PolarHBondContact O-N 3.4Å; G447-I449 PolarHBondContact O-N 2.92Å; G447-I449 VanDerWaalsContact O-N 3.11Å | ||
| 448 | N | 51.7 | Low | 73.2 | Confident | 130 Ų | 130 | 56.4 Ų | 56.4 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | trans | -74.8 | 103.8 | 179.9 | -160.2 | -8.9 | 0 | 0 | 0 | 110.5 | S450 N451 | N448-S450 PolarHBondContact O-N 3.2Å; N448-S450 PolarHBondContact OD1-OG 3.21Å; N448-N451 PolarHBondContact O-N 3.48Å | ||
| 449 | I | 52.3 | Low | 73.6 | Confident | 105 Ų | 105 | 55 Ų | 55 | 54% | 0.538 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -55.1 | -30 | -167.5 | -60.1 | 170.4 | 0 | 0 | 0 | 113 | G447 N451 H452 | G447-I449 PolarHBondContact O-N 2.92Å; G447-I449 VanDerWaalsContact O-N 3.11Å; I449-N451 PolarHBondContact O-N 2.89Å; I449-H452 PolarHBondContact O-N 3.07Å |
| 450 | S | 50.7 | Low | 73.6 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -54.6 | -24.6 | -175.6 | 52.5 | 0 | 0 | 0 | 0 | 115.8 | N448 | N448-S450 PolarHBondContact O-N 3.2Å; N448-S450 PolarHBondContact OD1-OG 3.21Å |
| 451 | N | 51.2 | Low | 73.8 | Confident | 118 Ų | 118 | 47 Ų | 47 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -88.2 | -27.4 | -176.9 | -73.9 | -29.7 | 0 | 0 | 0 | 114.4 | N448 I449 | N448-N451 PolarHBondContact O-N 3.48Å; I449-N451 PolarHBondContact O-N 2.89Å |
| 452 | H | 54.7 | Low | 73.7 | Confident | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | trans | -142.8 | 81.2 | -169.5 | -63.9 | -38.7 | 0 | 0 | 0 | 112.1 | H420 I449 I454 | H420-H452 AromaticContact CE1-CD2 3.75Å; H420-H452 AromaticContact CE1-NE2 3.52Å; H420-H452 AromaticContact CG-CD2 3.62Å; H420-H452 AromaticContact CG-NE2 3.85Å; H420-H452 AromaticContact ND1-CD2 3.04Å; H420-H452 PolarHBondContact ND1-CD2 2.78Å; H420-H452 AromaticContact ND1-NE2 2.85Å; H420-H452 PolarHBondContact ND1-NE2 3.45Å; I449-H452 PolarHBondContact O-N 3.07Å; H452-I454 VanDerWaalsContact C-N 3.28Å; H452-I454 PolarHBondContact O-N 3.04Å | ||
| 453 | P | 70.5 | Confident | 73.6 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -74.4 | -8.1 | -171.9 | 29 | -36.6 | 0 | 0 | 0 | 115.5 | L488 | P453-L488 WeakPolarHBondContact O-CB 3.46Å; P453-L488 WeakPolarHBondContact O-CG 3.29Å; P453-L488 PolarHBondContact O-N 3.15Å |
| 454 | I | 78.5 | Confident | 74 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.9 | 179.6 | -52.8 | 171.9 | 0 | 0 | 0 | 108.1 | S421 R423 H452 E457 L488 | S421-I454 VanDerWaalsContact CB-O 3.27Å; S421-I454 WeakPolarHBondContact CB-O 3.42Å; R423-I454 PolarHBondContact NH2-O 2.83Å; H452-I454 VanDerWaalsContact C-N 3.28Å; H452-I454 PolarHBondContact O-N 3.04Å; I454-E457 HydrophobicContact CG2-CB 3.93Å; I454-E457 HydrophobicContact CG2-CG 4.46Å; I454-L488 WeakPolarHBondContact CA-O 3.5Å; I454-L488 HydrophobicContact CG1-CB 4.28Å; I454-L488 WeakPolarHBondContact CG2-O 3.37Å |
| 455 | V | 86.2 | Confident | 74.5 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -38.5 | -174.3 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | S421 L422 I442 I483 L488 | S421-V455 CarbonylContact C-O 3.42Å; S421-V455 WeakPolarHBondContact CA-O 3.35Å; S421-V455 WeakPolarHBondContact CB-O 3.43Å; L422-V455 PolarHBondContact N-O 3.18Å; I442-V455 HydrophobicContact CB-CG1 4.33Å; I442-V455 HydrophobicContact CG2-CG1 3.68Å; V455-I483 HydrophobicContact CG1-CG2 4.03Å; V455-L488 PolarHBondContact N-O 3.14Å |
| 456 | F | 90.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.9 | 174.3 | -173.7 | -116.4 | 0 | 0 | 0 | 110.8 | L422 I442 L458 W468 L488 I489 R490 I491 | L422-F456 HydrophobicContact CB-CD2 4.24Å; L422-F456 HydrophobicContact CD2-CD2 4.12Å; L422-F456 HydrophobicContact CD2-CE2 3.81Å; L422-F456 HydrophobicContact CG-CD2 4.21Å; L422-F456 HydrophobicContact CG-CE2 4.2Å; L422-F456 WeakPolarHBondContact O-CA 3.45Å; I442-F456 HydrophobicContact CD1-CD2 3.97Å; I442-F456 HydrophobicContact CD1-CE2 4.49Å; F456-L458 HydrophobicContact CE1-CD1 3.88Å; F456-L458 HydrophobicContact CE1-CD2 4.25Å; F456-L458 HydrophobicContact CE1-CG 3.75Å; F456-L458 HydrophobicContact CE2-CD2 4.19Å; F456-L458 HydrophobicContact CZ-CD1 3.92Å; F456-L458 HydrophobicContact CZ-CD2 3.71Å; F456-L458 HydrophobicContact CZ-CG 3.73Å; F456-W468 HydrophobicContact CZ-CZ3 4.46Å; F456-L488 PolarHBondContact N-O 3.42Å; F456-I489 HydrophobicContact CB-CG1 4.46Å; F456-I489 HydrophobicContact CD1-CG2 4.13Å; F456-I489 WeakPolarHBondContact O-CA 3.26Å; F456-R490 PolarHBondContact O-N 2.94Å; F456-I491 HydrophobicContact CE1-CD1 4.34Å |
| 457 | E | 91 | Very high | 76.6 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 118.6 | -176.6 | -169.1 | 163.1 | -140.1 | 0 | 0 | 111.6 | L422 R423 I424 V425 I454 F459 R490 | L422-E457 PolarHBondContact O-N 3.07Å; R423-E457 CarbonylContact C-O 3.5Å; R423-E457 WeakPolarHBondContact CA-O 3.44Å; R423-E457 HydrophobicContact CB-CB 4.1Å; R423-E457 WeakPolarHBondContact CD-OE2 3.34Å; R423-E457 HydrophobicContact CG-CB 3.9Å; R423-E457 IonicContact CZ-OE2 2.71Å; R423-E457 IonicContact NE-OE2 2.71Å; R423-E457 IonicContact NH1-OE2 3.18Å; R423-E457 PolarHBondContact NH1-OE2 3.07Å; I424-E457 PolarHBondContact N-O 3.01Å; V425-E457 HydrophobicContact CG2-CG 4.47Å; I454-E457 HydrophobicContact CG2-CB 3.93Å; I454-E457 HydrophobicContact CG2-CG 4.46Å; E457-F459 HydrophobicContact CG-CB 4.07Å; E457-R490 CarbonylContact C-O 2.82Å; E457-R490 WeakPolarHBondContact CA-O 3.29Å; E457-R490 HydrophobicContact CG-CB 4.45Å |
| 458 | L | 93.1 | Very high | 77.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 100.8 | 167.9 | -58.8 | -175.5 | 0 | 0 | 0 | 108.3 | I424 L433 F456 L467 R490 I491 T492 N494 | I424-L458 HydrophobicContact CB-CD2 3.79Å; I424-L458 HydrophobicContact CD1-CD2 4.04Å; I424-L458 HydrophobicContact CG1-CD2 4.17Å; L433-L458 HydrophobicContact CD1-CD1 3.83Å; L433-L458 HydrophobicContact CD1-CD2 3.71Å; L433-L458 HydrophobicContact CD1-CG 4.45Å; F456-L458 HydrophobicContact CE1-CD1 3.88Å; F456-L458 HydrophobicContact CE1-CD2 4.25Å; F456-L458 HydrophobicContact CE1-CG 3.75Å; F456-L458 HydrophobicContact CE2-CD2 4.19Å; F456-L458 HydrophobicContact CZ-CD1 3.92Å; F456-L458 HydrophobicContact CZ-CD2 3.71Å; F456-L458 HydrophobicContact CZ-CG 3.73Å; L458-L467 HydrophobicContact CD1-CD2 3.74Å; L458-R490 PolarHBondContact N-O 3.12Å; L458-I491 HydrophobicContact CB-CB 4.49Å; L458-I491 HydrophobicContact CB-CG1 4.24Å; L458-I491 HydrophobicContact CB-CG2 4.19Å; L458-I491 HydrophobicContact CD1-CD1 4.21Å; L458-I491 HydrophobicContact CD1-CG1 4.15Å; L458-I491 HydrophobicContact CD1-CG2 4.27Å; L458-I491 HydrophobicContact CG-CG1 4.29Å; L458-T492 PolarHBondContact O-N 3.19Å; L458-N494 PolarHBondContact O-ND2 3.2Å |
| 459 | F | 92.6 | Very high | 78.4 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.4 | -170.9 | -173.5 | -121.9 | 0 | 0 | 0 | 113.7 | I424 V425 R426 E457 N461 T492 Q493 T1452 | I424-F459 PolarHBondContact O-N 2.92Å; I424-F459 VanDerWaalsContact O-N 3.12Å; V425-F459 CarbonylContact C-O 3.6Å; V425-F459 WeakPolarHBondContact CA-O 3.42Å; V425-F459 HydrophobicContact CG1-CB 4.45Å; V425-F459 HydrophobicContact CG1-CD1 4.06Å; V425-F459 HydrophobicContact CG2-CB 4.36Å; R426-F459 PolarHBondContact N-O 2.77Å; E457-F459 HydrophobicContact CG-CB 4.07Å; F459-N461 PolarHBondContact N-ND2 3.09Å; F459-N461 PolarHBondContact O-N 2.94Å; F459-T492 WeakPolarHBondContact CA-O 3.37Å; F459-T492 WeakPolarHBondContact CD2-O 3.45Å; F459-T492 WeakPolarHBondContact CD2-OG1 3.47Å; F459-Q493 HydrophobicContact CD2-CB 4.23Å; F459-Q493 HydrophobicContact CE2-CB 4.03Å; F459-Q493 HydrophobicContact CE2-CG 3.9Å; F459-T1452 HydrophobicContact CD1-CG2 4.48Å; F459-T1452 HydrophobicContact CE1-CG2 3.92Å |
| 460 | G | 87.8 | Confident | 78.6 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | 70.7 | 23.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R426 D462 T492 Q493 | R426-G460 WeakPolarHBondContact CA-O 3.44Å; G460-D462 PolarHBondContact O-N 3.4Å; G460-D462 VanDerWaalsContact O-N 3.11Å; G460-T492 PolarHBondContact N-O 3.33Å; G460-Q493 CarbonylContact C-O 3.48Å; G460-Q493 WeakPolarHBondContact CA-O 3.27Å; G460-Q493 PolarHBondContact N-O 2.89Å | ||
| 461 | N | 91.1 | Very high | 78.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -85.7 | 76.7 | -178.9 | -53.7 | -72.7 | 0 | 0 | 0 | 110.2 | I424 R426 S427 F459 N463 L464 N494 | I424-N461 PolarHBondContact O-ND2 3.12Å; I424-N461 PolarHBondContact O-OD1 3.11Å; R426-N461 PolarHBondContact N-OD1 3.45Å; S427-N461 PolarHBondContact N-OD1 3.11Å; F459-N461 PolarHBondContact N-ND2 3.09Å; F459-N461 PolarHBondContact O-N 2.94Å; N461-N463 PolarHBondContact O-N 3.36Å; N461-L464 HydrophobicContact CB-CB 3.83Å; N461-L464 HydrophobicContact CB-CD2 4.2Å; N461-L464 VanDerWaalsContact O-CB 3.29Å; N461-L464 WeakPolarHBondContact O-CB 3.25Å; N461-L464 PolarHBondContact O-N 2.95Å; N461-N494 WeakPolarHBondContact CB-OD1 3.46Å; N461-N494 PolarHBondContact N-OD1 3.01Å; N461-N494 PolarHBondContact ND2-OD1 3.28Å | ||
| 462 | D | 85.2 | Confident | 78.4 | Confident | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -31.4 | -167.6 | -73.5 | -31.4 | 0 | 0 | 0 | 116.1 | G460 R495 Q496 | G460-D462 PolarHBondContact O-N 3.4Å; G460-D462 VanDerWaalsContact O-N 3.11Å; D462-R495 WeakPolarHBondContact OD1-CD 3Å; D462-R495 WeakPolarHBondContact OD1-CG 3.41Å; D462-Q496 WeakPolarHBondContact O-CG 3.02Å; D462-Q496 PolarHBondContact O-NE2 3.38Å |
| 463 | N | 86.6 | Confident | 77.8 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -1.8 | -179.7 | -72.6 | -47.6 | 0 | 0 | 0 | 115.1 | S428 L430 N461 R465 Q496 | S428-N463 WeakPolarHBondContact O-CB 3.49Å; S428-N463 PolarHBondContact O-ND2 3.24Å; L430-N463 CarbonylContact O-C 3.59Å; N461-N463 PolarHBondContact O-N 3.36Å; N463-R465 PolarHBondContact O-N 3.38Å; N463-Q496 PolarHBondContact OD1-NE2 3.36Å |
| 464 | L | 89.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -68.3 | 119.5 | -178 | -167.2 | 69.4 | 0 | 0 | 0 | 109.8 | L430 L433 N461 D466 Q496 L497 | L430-L464 HydrophobicContact CB-CD1 4.27Å; L430-L464 VanDerWaalsContact O-CA 3.32Å; L430-L464 WeakPolarHBondContact O-CA 3.35Å; L430-L464 PolarHBondContact O-N 2.92Å; L433-L464 HydrophobicContact CD1-CD2 4.32Å; L433-L464 HydrophobicContact CD2-CD1 3.71Å; L433-L464 HydrophobicContact CD2-CD2 4.25Å; L433-L464 HydrophobicContact CG-CD1 3.91Å; L433-L464 HydrophobicContact CG-CD2 4.22Å; N461-L464 HydrophobicContact CB-CB 3.83Å; N461-L464 HydrophobicContact CB-CD2 4.2Å; N461-L464 VanDerWaalsContact O-CB 3.29Å; N461-L464 WeakPolarHBondContact O-CB 3.25Å; N461-L464 PolarHBondContact O-N 2.95Å; L464-D466 VanDerWaalsContact CD1-O 3.32Å; L464-D466 WeakPolarHBondContact CD1-O 3.4Å; L464-D466 WeakPolarHBondContact CG-O 3.15Å; L464-Q496 CarbonylContact O-C 3.57Å; L464-L497 HydrophobicContact CD2-CD2 4.25Å; L464-L497 WeakPolarHBondContact O-CA 3.06Å; L464-L497 WeakPolarHBondContact O-CB 3.09Å; L464-L497 PolarHBondContact O-N 3.46Å | ||
| 465 | R | 82.8 | Confident | 75.1 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 30% | 0.302 | 26% | 0.262 | S | S | . | . | trans | -114.7 | -13.5 | -179.3 | -71.3 | 174.2 | -167.3 | 149 | 12 | 113.4 | N431 N463 Q496 K501 R610 | N431-R465 PolarHBondContact O-N 3.38Å; N463-R465 PolarHBondContact O-N 3.38Å; R465-Q496 HydrophobicContact CG-CB 3.79Å; R465-Q496 VanDerWaalsContact CZ-OE1 3.27Å; R465-K501 PolarHBondContact O-NZ 3.15Å; R465-R610 PolarHBondContact NH1-O 3.05Å | ||
| 466 | D | 83.4 | Confident | 73.2 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | trans | -147.8 | 167.2 | -178.3 | -135.8 | -42.1 | 0 | 0 | 0 | 112 | N431 N432 L464 K501 | N431-D466 PolarHBondContact O-N 2.71Å; N432-D466 WeakPolarHBondContact CA-O 3.03Å; N432-D466 HydrophobicContact CB-CB 3.93Å; L464-D466 VanDerWaalsContact CD1-O 3.32Å; L464-D466 WeakPolarHBondContact CD1-O 3.4Å; L464-D466 WeakPolarHBondContact CG-O 3.15Å; D466-K501 IonicContact OD1-NZ 2.64Å; D466-K501 IonicContact OD2-NZ 2.66Å; D466-K501 PolarHBondContact OD2-NZ 3.44Å | ||
| 467 | L | 85.3 | Confident | 71.3 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -106.1 | -117 | 177.8 | -64.2 | 169.8 | 0 | 0 | 0 | 108.4 | L433 N434 L458 L497 L505 | L433-L467 CarbonylContact C-O 3.56Å; L433-L467 WeakPolarHBondContact CA-O 3.4Å; L433-L467 HydrophobicContact CD1-CD2 3.82Å; L433-L467 HydrophobicContact CG-CD2 4.48Å; L433-L467 PolarHBondContact N-O 2.84Å; N434-L467 PolarHBondContact N-O 3.37Å; L458-L467 HydrophobicContact CD1-CD2 3.74Å; L467-L497 HydrophobicContact CD2-CD2 4Å; L467-L497 HydrophobicContact CG-CD1 4.26Å; L467-L497 HydrophobicContact CG-CD2 4.42Å; L467-L505 HydrophobicContact CD1-CB 4.42Å; L467-L505 HydrophobicContact CD1-CD1 4.46Å; L467-L505 HydrophobicContact CD1-CD2 3.97Å | ||
| 468 | W | 80.6 | Confident | 69.5 | Low | 20 Ų | 20 | 62.9 Ų | 62.9 | 8% | 0.076 | 35% | 0.353 | C | S | . | . | trans | -135 | 138.7 | 170.9 | 65.2 | 98.2 | 0 | 0 | 0 | 109.6 | L433 L436 F456 V470 L481 L505 I511 | L433-W468 HydrophobicContact CB-CE3 4.25Å; L433-W468 HydrophobicContact CD1-CZ3 4.47Å; L436-W468 HydrophobicContact CB-CD2 4.28Å; L436-W468 HydrophobicContact CB-CE3 4.25Å; L436-W468 HydrophobicContact CD1-CE3 4.06Å; L436-W468 HydrophobicContact CD1-CZ3 4Å; F456-W468 HydrophobicContact CZ-CZ3 4.46Å; W468-V470 PolarHBondContact O-N 3.36Å; W468-L481 HydrophobicContact CH2-CD2 3.91Å; W468-L481 HydrophobicContact CZ2-CB 4.31Å; W468-L481 HydrophobicContact CZ2-CD2 3.88Å; W468-L505 HydrophobicContact CH2-CD1 4.18Å; W468-L505 HydrophobicContact CH2-CD2 4.17Å; W468-L505 HydrophobicContact CZ2-CD1 4.1Å; W468-I511 HydrophobicContact CH2-CD1 4.44Å | ||
| 469 | S | 62.7 | Low | 67.9 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | trans | -80.5 | 102.4 | 172.5 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | T471 | S469-T471 PolarHBondContact O-N 2.94Š| ||
| 470 | V | 56.7 | Low | 66.7 | Low | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | trans | -60.7 | 116.6 | 156.3 | -179.1 | 0 | 0 | 0 | 0 | 106.2 | W468 K510 | W468-V470 PolarHBondContact O-N 3.36Å; V470-K510 HydrophobicContact CB-CD 4.28Å; V470-K510 HydrophobicContact CB-CG 4.45Å; V470-K510 HydrophobicContact CG2-CB 4.48Å; V470-K510 HydrophobicContact CG2-CD 4.17Å; V470-K510 HydrophobicContact CG2-CG 4.19Å | ||
| 471 | T | 52.7 | Low | 66.5 | Low | 79 Ų | 79 | 68 Ų | 68 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | trans | -78.2 | 135.6 | -172 | 46.2 | 0 | 0 | 0 | 0 | 111 | S469 D473 | S469-T471 PolarHBondContact O-N 2.94Å; T471-D473 VanDerWaalsContact CB-OD2 3.23Å; T471-D473 WeakPolarHBondContact CB-OD2 3.37Å; T471-D473 PolarHBondContact O-N 2.82Å; T471-D473 PolarHBondContact OG1-OD2 3.46Å | ||
| 472 | N | 46.3 | Very low | 66.2 | Low | 156 Ų | 156 | 71 Ų | 71 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | trans | -76.3 | 47.6 | 174.4 | -69 | -10.8 | 0 | 0 | 0 | 111.4 | A474 | N472-A474 VanDerWaalsContact C-N 3.3Å; N472-A474 PolarHBondContact O-N 3.31Å | ||
| 473 | D | 42.1 | Very low | 66.1 | Low | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | trans | -73.9 | 85.9 | 173.1 | -70.7 | -49.3 | 0 | 0 | 0 | 108.5 | T471 N475 N476 | T471-D473 VanDerWaalsContact CB-OD2 3.23Å; T471-D473 WeakPolarHBondContact CB-OD2 3.37Å; T471-D473 PolarHBondContact O-N 2.82Å; T471-D473 PolarHBondContact OG1-OD2 3.46Å; D473-N475 PolarHBondContact O-N 2.82Å; D473-N476 PolarHBondContact O-N 3.4Å; D473-N476 VanDerWaalsContact O-N 3.1Å | ||
| 474 | A | 43.9 | Very low | 65.6 | Low | 100 Ų | 100 | 68.1 Ų | 68.1 | 83% | 0.826 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 13.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117 | N472 | N472-A474 VanDerWaalsContact C-N 3.3Å; N472-A474 PolarHBondContact O-N 3.31Å |
| 475 | N | 48.5 | Very low | 64.7 | Low | 158 Ų | 158 | 69.3 Ų | 69.3 | 85% | 0.845 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 3.4 | 177.4 | -67 | -42.9 | 0 | 0 | 0 | 113.5 | D473 | D473-N475 PolarHBondContact O-N 2.82Š|
| 476 | N | 45.1 | Very low | 64 | Low | 128 Ų | 128 | 70.1 Ų | 70.1 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -129.1 | 136.7 | 175.2 | -77.8 | -57.7 | 0 | 0 | 0 | 111.9 | D473 D478 | D473-N476 PolarHBondContact O-N 3.4Å; D473-N476 VanDerWaalsContact O-N 3.1Å; N476-D478 PolarHBondContact O-N 2.88Å |
| 477 | N | 50.7 | Low | 63.2 | Low | 157 Ų | 157 | 68.5 Ų | 68.5 | 84% | 0.84 | 40% | 0.395 | S | S | * | . | trans | -77.3 | 85.2 | 170.7 | -67.1 | -2.7 | 0 | 0 | 0 | 109.6 | D479 | N477-D479 PolarHBondContact O-N 3.43Š| ||
| 478 | D | 53.9 | Low | 62.9 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | trans | -89.2 | 96.7 | 171.9 | -157.1 | 25.8 | 0 | 0 | 0 | 109.7 | N476 G480 | N476-D478 PolarHBondContact O-N 2.88Å; D478-G480 PolarHBondContact O-N 3.43Å | ||
| 479 | D | 59.1 | Low | 63.1 | Low | 93 Ų | 93 | 74.6 Ų | 74.6 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | trans | -66.4 | -2.8 | -166.6 | -82.3 | -49.2 | 0 | 0 | 0 | 115.7 | N477 K512 | N477-D479 PolarHBondContact O-N 3.43Å; D479-K512 PolarHBondContact O-NZ 2.73Å | ||
| 480 | G | 67.6 | Low | 64.2 | Low | 14 Ų | 14 | 74.5 Ų | 74.5 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | trans | 79 | -174.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D478 | D478-G480 PolarHBondContact O-N 3.43Š| ||
| 481 | L | 83.3 | Confident | 65.8 | Low | 9 Ų | 9 | 73.7 Ų | 73.7 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.7 | -179.2 | -176.1 | 65.5 | 0 | 0 | 0 | 110.4 | V439 I442 W468 K510 I511 K512 | V439-L481 HydrophobicContact CB-CD1 4.37Å; V439-L481 HydrophobicContact CG1-CD1 4.01Å; I442-L481 HydrophobicContact CD1-CD1 4.1Å; I442-L481 HydrophobicContact CD1-CD2 3.96Å; I442-L481 HydrophobicContact CD1-CG 4.34Å; I442-L481 HydrophobicContact CG1-CD1 4.03Å; W468-L481 HydrophobicContact CH2-CD2 3.91Å; W468-L481 HydrophobicContact CZ2-CB 4.31Å; W468-L481 HydrophobicContact CZ2-CD2 3.88Å; L481-K510 PolarHBondContact N-O 2.92Å; L481-I511 HydrophobicContact CB-CG1 4.36Å; L481-I511 HydrophobicContact CD2-CD1 4.5Å; L481-I511 WeakPolarHBondContact O-CA 3.38Å; L481-K512 PolarHBondContact O-N 2.74Å; L481-K512 VanDerWaalsContact O-N 3.17Å |
| 482 | Q | 84 | Confident | 67.6 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 29% | 0.29 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.8 | -179 | -61.8 | -175.7 | 2.9 | 0 | 0 | 111.7 | R440 S441 I442 L484 | R440-Q482 PolarHBondContact O-N 3.42Å; S441-Q482 CarbonylContact C-O 3.57Å; S441-Q482 WeakPolarHBondContact CA-O 3.49Å; S441-Q482 WeakPolarHBondContact CB-O 3.43Å; I442-Q482 PolarHBondContact N-O 2.75Å; Q482-L484 HydrophobicContact CB-CD2 4.16Å |
| 483 | I | 83.6 | Confident | 69.5 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.8 | 169.5 | -52.3 | -57.2 | 0 | 0 | 0 | 107.9 | I442 V455 I489 I511 K512 L513 E514 | I442-I483 HydrophobicContact CB-CD1 4.02Å; I442-I483 HydrophobicContact CD1-CD1 4.31Å; I442-I483 HydrophobicContact CG1-CD1 4.42Å; I442-I483 CarbonylContact O-C 3.57Å; I442-I483 WeakPolarHBondContact O-CA 3.39Å; V455-I483 HydrophobicContact CG1-CG2 4.03Å; I483-I489 HydrophobicContact CG1-CD1 4.12Å; I483-I511 HydrophobicContact CD1-CG2 4.3Å; I483-I511 HydrophobicContact CG1-CG2 3.58Å; I483-K512 PolarHBondContact N-O 2.85Å; I483-L513 HydrophobicContact CB-CD1 4.11Å; I483-L513 HydrophobicContact CG2-CD1 3.84Å; I483-L513 WeakPolarHBondContact O-CA 3.3Å; I483-E514 PolarHBondContact O-N 2.88Å |
| 484 | L | 76.3 | Confident | 71.9 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | trans | -109.8 | 22.2 | -171.5 | -58.4 | 179.6 | 0 | 0 | 0 | 112.7 | I442 Q444 I445 Q482 | I442-L484 PolarHBondContact O-N 3.29Å; Q444-L484 CarbonylContact C-O 3.54Å; Q444-L484 PolarHBondContact N-O 3.19Å; I445-L484 HydrophobicContact CG1-CB 4.25Å; I445-L484 PolarHBondContact N-O 3.5Å; Q482-L484 HydrophobicContact CB-CD2 4.16Å | ||
| 485 | S | 69.5 | Low | 73.9 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -153 | 139.1 | 178.5 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | G443 Q444 G487 | G443-S485 WeakPolarHBondContact CA-OG 3.48Å; Q444-S485 PolarHBondContact N-OG 2.9Å; Q444-S485 PolarHBondContact O-OG 2.83Å; S485-G487 PolarHBondContact O-N 3.16Å |
| 486 | N | 68.2 | Low | 75.8 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -75.7 | 36.1 | -179.8 | -59.8 | -23.7 | 0 | 0 | 0 | 113.6 | ||
| 487 | G | 68.4 | Low | 77.9 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 159 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S485 | S485-G487 PolarHBondContact O-N 3.16Š|
| 488 | L | 77.3 | Confident | 79.8 | Confident | 112 Ų | 112 | 41.8 Ų | 41.8 | 59% | 0.586 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 143 | -167.3 | -64.5 | 165.6 | 0 | 0 | 0 | 113.1 | P453 I454 V455 F456 | P453-L488 WeakPolarHBondContact O-CB 3.46Å; P453-L488 WeakPolarHBondContact O-CG 3.29Å; P453-L488 PolarHBondContact O-N 3.15Å; I454-L488 WeakPolarHBondContact CA-O 3.5Å; I454-L488 HydrophobicContact CG1-CB 4.28Å; I454-L488 WeakPolarHBondContact CG2-O 3.37Å; V455-L488 PolarHBondContact N-O 3.14Å; F456-L488 PolarHBondContact N-O 3.42Å |
| 489 | I | 85 | Confident | 81.4 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.2 | 165.6 | -63.4 | 171.6 | 0 | 0 | 0 | 107.1 | F456 I483 F506 I518 | F456-I489 HydrophobicContact CB-CG1 4.46Å; F456-I489 HydrophobicContact CD1-CG2 4.13Å; F456-I489 WeakPolarHBondContact O-CA 3.26Å; I483-I489 HydrophobicContact CG1-CD1 4.12Å; I489-F506 HydrophobicContact CG2-CZ 4.11Å; I489-I518 HydrophobicContact CD1-CD1 3.79Å |
| 490 | R | 86.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 39.1 Ų | 39.1 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 117 | -177.6 | -176.5 | -180 | -179.8 | 168.5 | 5.2 | 111.6 | F456 E457 L458 T492 | F456-R490 PolarHBondContact O-N 2.94Å; E457-R490 CarbonylContact C-O 2.82Å; E457-R490 WeakPolarHBondContact CA-O 3.29Å; E457-R490 HydrophobicContact CG-CB 4.45Å; L458-R490 PolarHBondContact N-O 3.12Å; R490-T492 HydrophobicContact CG-CG2 4.13Å; R490-T492 PolarHBondContact NE-OG1 3.18Å |
| 491 | I | 90.6 | Very high | 83.6 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 96 | 174.9 | -55.4 | 177.5 | 0 | 0 | 0 | 108.1 | F456 L458 L497 I502 F506 N532 | F456-I491 HydrophobicContact CE1-CD1 4.34Å; L458-I491 HydrophobicContact CB-CB 4.49Å; L458-I491 HydrophobicContact CB-CG1 4.24Å; L458-I491 HydrophobicContact CB-CG2 4.19Å; L458-I491 HydrophobicContact CD1-CD1 4.21Å; L458-I491 HydrophobicContact CD1-CG1 4.15Å; L458-I491 HydrophobicContact CD1-CG2 4.27Å; L458-I491 HydrophobicContact CG-CG1 4.29Å; I491-L497 HydrophobicContact CG2-CD2 4.48Å; I491-I502 HydrophobicContact CD1-CG2 3.98Å; I491-I502 HydrophobicContact CG2-CD1 3.61Å; I491-I502 HydrophobicContact CG2-CG1 4.11Å; I491-I502 HydrophobicContact CG2-CG2 4.32Å; I491-F506 HydrophobicContact CD1-CE2 4.23Å; I491-F506 HydrophobicContact CD1-CZ 4.49Å; I491-N532 PolarHBondContact O-ND2 2.71Å |
| 492 | T | 89.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.1 | -172 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | L458 F459 G460 R490 N494 M527 T531 N532 | L458-T492 PolarHBondContact O-N 3.19Å; F459-T492 WeakPolarHBondContact CA-O 3.37Å; F459-T492 WeakPolarHBondContact CD2-O 3.45Å; F459-T492 WeakPolarHBondContact CD2-OG1 3.47Å; G460-T492 PolarHBondContact N-O 3.33Å; R490-T492 HydrophobicContact CG-CG2 4.13Å; R490-T492 PolarHBondContact NE-OG1 3.18Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact N-ND2 3.22Å; T492-N494 PolarHBondContact O-N 2.86Å; T492-N494 PolarHBondContact O-ND2 3.23Å; T492-M527 HydrophobicContact CG2-CG 4.33Å; T492-M527 HydrophobicContact CG2-SD 4.21Å; T492-T531 WeakPolarHBondContact CB-OG1 3.48Å; T492-T531 WeakPolarHBondContact CG2-OG1 3.26Å; T492-N532 WeakPolarHBondContact CA-OD1 3.3Å |
| 493 | Q | 87.2 | Confident | 84.1 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | trans | 61.4 | 31.7 | -179.5 | -59.5 | -171.3 | -18 | 0 | 0 | 114.8 | F459 G460 R495 T531 | F459-Q493 HydrophobicContact CD2-CB 4.23Å; F459-Q493 HydrophobicContact CE2-CB 4.03Å; F459-Q493 HydrophobicContact CE2-CG 3.9Å; G460-Q493 CarbonylContact C-O 3.48Å; G460-Q493 WeakPolarHBondContact CA-O 3.27Å; G460-Q493 PolarHBondContact N-O 2.89Å; Q493-R495 PolarHBondContact O-N 3.07Å; Q493-T531 WeakPolarHBondContact CA-O 3.48Å; Q493-T531 PolarHBondContact N-O 3.11Å | ||
| 494 | N | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -96.5 | 86.5 | 173 | -53.4 | -78.1 | 0 | 0 | 0 | 108.7 | L458 N461 T492 Q496 L497 N532 G533 | L458-N494 PolarHBondContact O-ND2 3.2Å; N461-N494 WeakPolarHBondContact CB-OD1 3.46Å; N461-N494 PolarHBondContact N-OD1 3.01Å; N461-N494 PolarHBondContact ND2-OD1 3.28Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact N-ND2 3.22Å; T492-N494 PolarHBondContact O-N 2.86Å; T492-N494 PolarHBondContact O-ND2 3.23Å; N494-Q496 VanDerWaalsContact C-N 3.31Å; N494-Q496 PolarHBondContact O-N 3.39Å; N494-L497 HydrophobicContact CB-CB 3.82Å; N494-L497 HydrophobicContact CB-CD2 4.11Å; N494-L497 PolarHBondContact O-N 3.26Å; N494-N532 WeakPolarHBondContact CB-OD1 3.12Å; N494-N532 PolarHBondContact N-OD1 2.8Å; N494-N532 VanDerWaalsContact N-OD1 3.11Å; N494-N532 PolarHBondContact ND2-OD1 2.87Å; N494-G533 PolarHBondContact O-N 3.04Å | ||
| 495 | R | 87 | Confident | 84.3 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 31% | 0.306 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28 | -160.7 | -60.3 | -165.7 | 72.6 | -172.4 | 2.2 | 116 | D462 Q493 G533 D534 L535 A536 | D462-R495 WeakPolarHBondContact OD1-CD 3Å; D462-R495 WeakPolarHBondContact OD1-CG 3.41Å; Q493-R495 PolarHBondContact O-N 3.07Å; R495-G533 CarbonylContact O-C 3.56Å; R495-G533 WeakPolarHBondContact O-CA 3.39Å; R495-D534 VanDerWaalsContact CA-OD1 3.23Å; R495-D534 WeakPolarHBondContact CA-OD1 3.05Å; R495-D534 WeakPolarHBondContact CB-OD1 3.46Å; R495-D534 WeakPolarHBondContact CG-OD1 3.38Å; R495-D534 IonicContact CZ-OD2 3.74Å; R495-D534 IonicContact NE-OD1 2.69Å; R495-D534 PolarHBondContact NE-OD1 2.81Å; R495-D534 VanDerWaalsContact NE-OD1 3.07Å; R495-D534 IonicContact NE-OD2 3.69Å; R495-D534 PolarHBondContact NE-OD2 2.92Å; R495-D534 IonicContact NH2-OD2 3.75Å; R495-D534 PolarHBondContact NH2-OD2 3.45Å; R495-D534 PolarHBondContact O-N 3.49Å; R495-L535 HydrophobicContact CB-CB 4.37Å; R495-L535 HydrophobicContact CB-CD1 4.18Å; R495-L535 HydrophobicContact CB-CG 4.26Å; R495-L535 WeakPolarHBondContact O-CA 3.49Å; R495-L535 PolarHBondContact O-N 3.31Å; R495-A536 PolarHBondContact O-N 3.12Å |
| 496 | Q | 87.3 | Confident | 85 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 4.7 | 178.1 | -74.1 | 173.9 | 69.6 | 0 | 0 | 113.6 | D462 N463 L464 R465 N494 L535 | D462-Q496 WeakPolarHBondContact O-CG 3.02Å; D462-Q496 PolarHBondContact O-NE2 3.38Å; N463-Q496 PolarHBondContact OD1-NE2 3.36Å; L464-Q496 CarbonylContact O-C 3.57Å; R465-Q496 HydrophobicContact CG-CB 3.79Å; R465-Q496 VanDerWaalsContact CZ-OE1 3.27Å; N494-Q496 VanDerWaalsContact C-N 3.31Å; N494-Q496 PolarHBondContact O-N 3.39Å; Q496-L535 HydrophobicContact CG-CB 4.22Å |
| 497 | L | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -95.6 | 110.7 | -178.8 | -178.6 | 61.2 | 0 | 0 | 0 | 110.5 | L464 L467 I491 N494 K501 I502 N532 G533 | L464-L497 HydrophobicContact CD2-CD2 4.25Å; L464-L497 WeakPolarHBondContact O-CA 3.06Å; L464-L497 WeakPolarHBondContact O-CB 3.09Å; L464-L497 PolarHBondContact O-N 3.46Å; L467-L497 HydrophobicContact CD2-CD2 4Å; L467-L497 HydrophobicContact CG-CD1 4.26Å; L467-L497 HydrophobicContact CG-CD2 4.42Å; I491-L497 HydrophobicContact CG2-CD2 4.48Å; N494-L497 HydrophobicContact CB-CB 3.82Å; N494-L497 HydrophobicContact CB-CD2 4.11Å; N494-L497 PolarHBondContact O-N 3.26Å; L497-K501 HydrophobicContact CD1-CB 4.32Å; L497-K501 HydrophobicContact CD1-CD 4.4Å; L497-I502 HydrophobicContact CD2-CD1 3.87Å; L497-I502 HydrophobicContact CD2-CG1 3.84Å; L497-I502 HydrophobicContact CG-CD1 4.11Å; L497-I502 HydrophobicContact CG-CG1 4.09Å; L497-N532 CarbonylContact O-C 3.59Å; L497-N532 WeakPolarHBondContact O-CB 3.19Å; L497-G533 VanDerWaalsContact O-CA 3.28Å; L497-G533 WeakPolarHBondContact O-CA 3.42Å; L497-G533 PolarHBondContact O-N 3.21Å |
| 498 | C | 88.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | trans | -59 | 128.3 | 177.8 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | E500 K501 C538 | C498-E500 VanDerWaalsContact CB-OE2 3.32Å; C498-E500 WeakPolarHBondContact CB-OE2 3.32Å; C498-E500 PolarHBondContact O-N 3.38Å; C498-E500 VanDerWaalsContact O-N 3.15Å; C498-K501 HydrophobicContact CB-CG 4.47Å; C498-K501 PolarHBondContact O-N 3.46Å; C498-C538 VanDerWaalsContact CA-SG 3.54Å; C498-C538 HydrophobicContact CB-CB 3.92Å; C498-C538 WeakPolarHBondContact CB-SG 3.43Å; C498-C538 WeakPolarHBondContact SG-CA 3.42Å; C498-C538 WeakPolarHBondContact SG-CB 3.43Å; C498-C538 CovalentContact SG-SG 2.04Å; C498-C538 PolarHBondContact SG-SG 2.81Å | ||
| 499 | P | 89.2 | Confident | 85.6 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.071 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.9 | -34.9 | 177.7 | -29.5 | 37.1 | 0 | 0 | 0 | 113.8 | K501 I502 F503 I528 | P499-K501 VanDerWaalsContact C-N 3.28Å; P499-K501 PolarHBondContact O-N 3.27Å; P499-I502 WeakPolarHBondContact O-CA 3.4Å; P499-I502 WeakPolarHBondContact O-CB 3.39Å; P499-I502 PolarHBondContact O-N 3.11Å; P499-F503 HydrophobicContact CB-CD2 4.45Å; P499-F503 HydrophobicContact CB-CE2 3.78Å; P499-F503 HydrophobicContact CB-CZ 4.08Å; P499-F503 WeakPolarHBondContact O-CD2 3.45Å; P499-F503 WeakPolarHBondContact O-CG 3.45Å; P499-F503 PolarHBondContact O-N 3.46Å; P499-I528 HydrophobicContact CB-CG2 4.27Å |
| 500 | E | 85.3 | Confident | 85.2 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -35.2 | -180 | -56.6 | 78.5 | -174 | 0 | 0 | 112.3 | C498 I502 F503 E504 | C498-E500 VanDerWaalsContact CB-OE2 3.32Å; C498-E500 WeakPolarHBondContact CB-OE2 3.32Å; C498-E500 PolarHBondContact O-N 3.38Å; C498-E500 VanDerWaalsContact O-N 3.15Å; E500-I502 VanDerWaalsContact C-N 3.31Å; E500-F503 PolarHBondContact O-N 2.75Å; E500-E504 WeakPolarHBondContact O-CB 3.35Å; E500-E504 PolarHBondContact O-N 2.85Å |
| 501 | K | 86.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.8 | -28.3 | 174.8 | -67.8 | -169.1 | 178.6 | -177.3 | 0 | 112.6 | R465 D466 L497 C498 P499 L505 | R465-K501 PolarHBondContact O-NZ 3.15Å; D466-K501 IonicContact OD1-NZ 2.64Å; D466-K501 IonicContact OD2-NZ 2.66Å; D466-K501 PolarHBondContact OD2-NZ 3.44Å; L497-K501 HydrophobicContact CD1-CB 4.32Å; L497-K501 HydrophobicContact CD1-CD 4.4Å; C498-K501 HydrophobicContact CB-CG 4.47Å; C498-K501 PolarHBondContact O-N 3.46Å; P499-K501 VanDerWaalsContact C-N 3.28Å; P499-K501 PolarHBondContact O-N 3.27Å; K501-L505 PolarHBondContact O-N 2.86Å |
| 502 | I | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.7 | -45.4 | 174.1 | -57 | 167 | 0 | 0 | 0 | 108.4 | I491 L497 P499 E500 L505 F506 I528 N532 | I491-I502 HydrophobicContact CD1-CG2 3.98Å; I491-I502 HydrophobicContact CG2-CD1 3.61Å; I491-I502 HydrophobicContact CG2-CG1 4.11Å; I491-I502 HydrophobicContact CG2-CG2 4.32Å; L497-I502 HydrophobicContact CD2-CD1 3.87Å; L497-I502 HydrophobicContact CD2-CG1 3.84Å; L497-I502 HydrophobicContact CG-CD1 4.11Å; L497-I502 HydrophobicContact CG-CG1 4.09Å; P499-I502 WeakPolarHBondContact O-CA 3.4Å; P499-I502 WeakPolarHBondContact O-CB 3.39Å; P499-I502 PolarHBondContact O-N 3.11Å; E500-I502 VanDerWaalsContact C-N 3.31Å; I502-L505 WeakPolarHBondContact O-CB 3.44Å; I502-L505 PolarHBondContact O-N 3.14Å; I502-F506 HydrophobicContact CG2-CD2 4.33Å; I502-F506 HydrophobicContact CG2-CE2 4Å; I502-F506 VanDerWaalsContact O-CD2 3.28Å; I502-F506 WeakPolarHBondContact O-CD2 3.38Å; I502-F506 PolarHBondContact O-N 2.99Å; I502-I528 HydrophobicContact CB-CG2 3.96Å; I502-I528 HydrophobicContact CD1-CG2 3.73Å; I502-I528 HydrophobicContact CG1-CG2 4.45Å; I502-I528 HydrophobicContact CG2-CD1 4.01Å; I502-I528 HydrophobicContact CG2-CG1 4.43Å; I502-I528 HydrophobicContact CG2-CG2 3.89Å; I502-N532 HydrophobicContact CD1-CB 3.8Å |
| 503 | F | 88.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.9 | -57.1 | -35 | 0 | 0 | 0 | 112.3 | P499 E500 L505 F506 D507 L520 R525 I528 T529 | P499-F503 HydrophobicContact CB-CD2 4.45Å; P499-F503 HydrophobicContact CB-CE2 3.78Å; P499-F503 HydrophobicContact CB-CZ 4.08Å; P499-F503 WeakPolarHBondContact O-CD2 3.45Å; P499-F503 WeakPolarHBondContact O-CG 3.45Å; P499-F503 PolarHBondContact O-N 3.46Å; E500-F503 PolarHBondContact O-N 2.75Å; F503-L505 PolarHBondContact O-N 3.24Å; F503-F506 PolarHBondContact O-N 2.88Å; F503-F506 VanDerWaalsContact O-N 3.09Å; F503-D507 WeakPolarHBondContact O-CB 3.45Å; F503-D507 PolarHBondContact O-N 3.35Å; F503-L520 HydrophobicContact CD1-CD1 3.84Å; F503-L520 HydrophobicContact CE1-CD1 4.24Å; F503-R525 HydrophobicContact CD1-CG 4.25Å; F503-R525 HydrophobicContact CE1-CB 3.87Å; F503-R525 HydrophobicContact CE1-CG 3.82Å; F503-R525 HydrophobicContact CZ-CB 4.08Å; F503-R525 HydrophobicContact CZ-CG 4.44Å; F503-I528 HydrophobicContact CD1-CG2 4.36Å; F503-I528 HydrophobicContact CE1-CB 3.88Å; F503-I528 HydrophobicContact CE1-CD1 4.16Å; F503-I528 HydrophobicContact CE1-CG2 3.54Å; F503-I528 HydrophobicContact CZ-CB 4.21Å; F503-I528 HydrophobicContact CZ-CG2 3.8Å; F503-T529 WeakPolarHBondContact CZ-OG1 3.26Å |
| 504 | E | 83 | Confident | 82.5 | Confident | 104 Ų | 104 | 42.3 Ų | 42.3 | 49% | 0.486 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53.6 | -39.6 | 175.5 | -164 | -149 | 121.5 | 0 | 0 | 112 | E500 F506 S508 K510 | E500-E504 WeakPolarHBondContact O-CB 3.35Å; E500-E504 PolarHBondContact O-N 2.85Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.5Å; E504-S508 WeakPolarHBondContact O-CB 3.29Å; E504-S508 PolarHBondContact O-N 2.82Å; E504-S508 PolarHBondContact O-OG 3.48Å; E504-K510 IonicContact OE1-NZ 3.77Å; E504-K510 PolarHBondContact OE1-NZ 2.98Å |
| 505 | L | 81.2 | Confident | 81.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | -179.7 | -167.6 | 76.7 | 0 | 0 | 0 | 113.1 | L467 W468 K501 I502 F503 K510 I511 | L467-L505 HydrophobicContact CD1-CB 4.42Å; L467-L505 HydrophobicContact CD1-CD1 4.46Å; L467-L505 HydrophobicContact CD1-CD2 3.97Å; W468-L505 HydrophobicContact CH2-CD1 4.18Å; W468-L505 HydrophobicContact CH2-CD2 4.17Å; W468-L505 HydrophobicContact CZ2-CD1 4.1Å; K501-L505 PolarHBondContact O-N 2.86Å; I502-L505 WeakPolarHBondContact O-CB 3.44Å; I502-L505 PolarHBondContact O-N 3.14Å; F503-L505 PolarHBondContact O-N 3.24Å; L505-K510 HydrophobicContact CD1-CB 4.03Å; L505-K510 HydrophobicContact CD1-CD 4.39Å; L505-K510 PolarHBondContact O-N 3.19Å; L505-I511 HydrophobicContact CD2-CD1 3.45Å; L505-I511 VanDerWaalsContact CD2-CD1 3.45Å; L505-I511 HydrophobicContact CD2-CG1 4.02Å; L505-I511 HydrophobicContact CG-CD1 4.05Å; L505-I511 HydrophobicContact CG-CG1 4.05Å |
| 506 | F | 84.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -81.6 | -48.6 | 176.2 | -70.3 | -82.7 | 0 | 0 | 0 | 111.4 | I489 I491 I502 F503 E504 S508 N509 I518 L520 | I489-F506 HydrophobicContact CG2-CZ 4.11Å; I491-F506 HydrophobicContact CD1-CE2 4.23Å; I491-F506 HydrophobicContact CD1-CZ 4.49Å; I502-F506 HydrophobicContact CG2-CD2 4.33Å; I502-F506 HydrophobicContact CG2-CE2 4Å; I502-F506 VanDerWaalsContact O-CD2 3.28Å; I502-F506 WeakPolarHBondContact O-CD2 3.38Å; I502-F506 PolarHBondContact O-N 2.99Å; F503-F506 PolarHBondContact O-N 2.88Å; F503-F506 VanDerWaalsContact O-N 3.09Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.5Å; F506-S508 VanDerWaalsContact C-N 3.29Å; F506-S508 PolarHBondContact O-N 3.09Å; F506-N509 WeakPolarHBondContact O-CA 3.47Å; F506-N509 PolarHBondContact O-N 2.91Å; F506-I518 HydrophobicContact CD1-CB 3.99Å; F506-I518 HydrophobicContact CD1-CG2 3.89Å; F506-I518 HydrophobicContact CE1-CB 4.37Å; F506-I518 HydrophobicContact CE1-CD1 4.43Å; F506-I518 HydrophobicContact CE1-CG2 3.97Å; F506-L520 HydrophobicContact CB-CD1 4.15Å; F506-L520 HydrophobicContact CB-CG 4.17Å; F506-L520 HydrophobicContact CD1-CD2 4.14Å; F506-L520 HydrophobicContact CD1-CG 4.19Å; F506-L520 HydrophobicContact CD2-CD1 3.58Å; F506-L520 HydrophobicContact CD2-CD2 4.06Å; F506-L520 HydrophobicContact CD2-CG 3.94Å; F506-L520 HydrophobicContact CE1-CD2 4.06Å; F506-L520 HydrophobicContact CE2-CD1 4.14Å; F506-L520 HydrophobicContact CE2-CD2 3.98Å; F506-L520 HydrophobicContact CE2-CG 4.38Å; F506-L520 HydrophobicContact CG-CD1 3.91Å; F506-L520 HydrophobicContact CG-CD2 4.14Å; F506-L520 HydrophobicContact CG-CG 3.85Å; F506-L520 HydrophobicContact CZ-CD2 3.99Å |
| 507 | D | 81.6 | Confident | 79.8 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.8 | -23.9 | -173.7 | -64.8 | -35.1 | 0 | 0 | 0 | 112.9 | F503 N509 R525 | F503-D507 WeakPolarHBondContact O-CB 3.45Å; F503-D507 PolarHBondContact O-N 3.35Å; D507-N509 VanDerWaalsContact C-N 3.33Å; D507-R525 IonicContact OD1-CZ 3.62Å; D507-R525 IonicContact OD1-NH1 2.8Å; D507-R525 PolarHBondContact OD1-NH1 3.12Å; D507-R525 IonicContact OD1-NH2 2.68Å; D507-R525 PolarHBondContact OD1-NH2 3.4Å; D507-R525 IonicContact OD2-CZ 2.72Å; D507-R525 IonicContact OD2-NH1 2.66Å; D507-R525 PolarHBondContact OD2-NH1 3.3Å; D507-R525 IonicContact OD2-NH2 2.59Å |
| 508 | S | 74.2 | Confident | 79.1 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.7 | 169 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | E504 F506 K510 | E504-S508 WeakPolarHBondContact O-CB 3.29Å; E504-S508 PolarHBondContact O-N 2.82Å; E504-S508 PolarHBondContact O-OG 3.48Å; F506-S508 VanDerWaalsContact C-N 3.29Å; F506-S508 PolarHBondContact O-N 3.09Å; S508-K510 PolarHBondContact O-N 3.35Å; S508-K510 WeakPolarHBondContact OG-CD 3.32Å; S508-K510 WeakPolarHBondContact OG-CE 3.28Å; S508-K510 VanDerWaalsContact OG-CG 3.31Å; S508-K510 WeakPolarHBondContact OG-CG 3.4Å |
| 509 | N | 71.8 | Confident | 78.4 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.7 | -180 | -48.4 | -71.3 | 0 | 0 | 0 | 114.3 | F506 D507 I511 K512 N517 | F506-N509 WeakPolarHBondContact O-CA 3.47Å; F506-N509 PolarHBondContact O-N 2.91Å; D507-N509 VanDerWaalsContact C-N 3.33Å; N509-I511 PolarHBondContact O-N 2.94Å; N509-K512 WeakPolarHBondContact O-CE 3.35Å; N509-N517 WeakPolarHBondContact OD1-CB 3.37Å; N509-N517 PolarHBondContact OD1-ND2 2.91Å; N509-N517 PolarHBondContact OD1-OD1 3.31Å |
| 510 | K | 76.1 | Confident | 77.9 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -71.8 | -14.5 | 174.6 | -69.8 | 168.9 | -171.6 | 170.8 | 0 | 112.5 | V470 L481 E504 L505 S508 | V470-K510 HydrophobicContact CB-CD 4.28Å; V470-K510 HydrophobicContact CB-CG 4.45Å; V470-K510 HydrophobicContact CG2-CB 4.48Å; V470-K510 HydrophobicContact CG2-CD 4.17Å; V470-K510 HydrophobicContact CG2-CG 4.19Å; L481-K510 PolarHBondContact N-O 2.92Å; E504-K510 IonicContact OE1-NZ 3.77Å; E504-K510 PolarHBondContact OE1-NZ 2.98Å; L505-K510 HydrophobicContact CD1-CB 4.03Å; L505-K510 HydrophobicContact CD1-CD 4.39Å; L505-K510 PolarHBondContact O-N 3.19Å; S508-K510 PolarHBondContact O-N 3.35Å; S508-K510 WeakPolarHBondContact OG-CD 3.32Å; S508-K510 WeakPolarHBondContact OG-CE 3.28Å; S508-K510 VanDerWaalsContact OG-CG 3.31Å; S508-K510 WeakPolarHBondContact OG-CG 3.4Å |
| 511 | I | 77.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.9 | 163.1 | -57.6 | -174.4 | 0 | 0 | 0 | 109.3 | W468 L481 I483 L505 N509 I518 | W468-I511 HydrophobicContact CH2-CD1 4.44Å; L481-I511 HydrophobicContact CB-CG1 4.36Å; L481-I511 HydrophobicContact CD2-CD1 4.5Å; L481-I511 WeakPolarHBondContact O-CA 3.38Å; I483-I511 HydrophobicContact CD1-CG2 4.3Å; I483-I511 HydrophobicContact CG1-CG2 3.58Å; L505-I511 HydrophobicContact CD2-CD1 3.45Å; L505-I511 VanDerWaalsContact CD2-CD1 3.45Å; L505-I511 HydrophobicContact CD2-CG1 4.02Å; L505-I511 HydrophobicContact CG-CD1 4.05Å; L505-I511 HydrophobicContact CG-CG1 4.05Å; N509-I511 PolarHBondContact O-N 2.94Å; I511-I518 HydrophobicContact CG2-CD1 3.72Å |
| 512 | K | 78.6 | Confident | 77.3 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.3 | 178.6 | -65.3 | 168 | -174.3 | 157.9 | 0 | 110.6 | D479 L481 I483 N509 N516 | D479-K512 PolarHBondContact O-NZ 2.73Å; L481-K512 PolarHBondContact O-N 2.74Å; L481-K512 VanDerWaalsContact O-N 3.17Å; I483-K512 PolarHBondContact N-O 2.85Å; N509-K512 WeakPolarHBondContact O-CE 3.35Å; K512-N516 CarbonylContact C-O 3.45Å; K512-N516 VanDerWaalsContact CA-O 3.23Å; K512-N516 WeakPolarHBondContact CA-O 3.41Å; K512-N516 WeakPolarHBondContact CB-O 3.2Å |
| 513 | L | 74.7 | Confident | 76.8 | Confident | 56 Ų | 56 | 61 Ų | 61 | 29% | 0.293 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.4 | 174.8 | -179.4 | 67.5 | 0 | 0 | 0 | 109.8 | I483 G515 N516 I518 | I483-L513 HydrophobicContact CB-CD1 4.11Å; I483-L513 HydrophobicContact CG2-CD1 3.84Å; I483-L513 WeakPolarHBondContact O-CA 3.3Å; L513-G515 PolarHBondContact O-N 2.83Å; L513-G515 VanDerWaalsContact O-N 3.07Å; L513-N516 PolarHBondContact N-O 2.83Å; L513-N516 WeakPolarHBondContact O-CB 3.2Å; L513-N516 PolarHBondContact O-N 2.04Å; L513-I518 HydrophobicContact CB-CD1 3.8Å; L513-I518 HydrophobicContact CB-CG1 3.67Å |
| 514 | E | 66.4 | Low | 76.4 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 30.8 | -174.5 | -57.8 | -167.4 | 144.4 | 0 | 0 | 113.4 | I483 | I483-E514 PolarHBondContact O-N 2.88Š|
| 515 | G | 66.3 | Low | 76.5 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -13.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L513 | L513-G515 PolarHBondContact O-N 2.83Å; L513-G515 VanDerWaalsContact O-N 3.07Å |
| 516 | N | 69.7 | Low | 76.6 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 153.7 | 176.4 | -59.4 | -67.5 | 0 | 0 | 0 | 112.1 | K512 L513 | K512-N516 CarbonylContact C-O 3.45Å; K512-N516 VanDerWaalsContact CA-O 3.23Å; K512-N516 WeakPolarHBondContact CA-O 3.41Å; K512-N516 WeakPolarHBondContact CB-O 3.2Å; L513-N516 PolarHBondContact N-O 2.83Å; L513-N516 WeakPolarHBondContact O-CB 3.2Å; L513-N516 PolarHBondContact O-N 2.04Å |
| 517 | N | 74.1 | Confident | 76.4 | Confident | 97 Ų | 97 | 71 Ų | 71 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.7 | 175.8 | -63.8 | -7.7 | 0 | 0 | 0 | 110.6 | N509 | N509-N517 WeakPolarHBondContact OD1-CB 3.37Å; N509-N517 PolarHBondContact OD1-ND2 2.91Å; N509-N517 PolarHBondContact OD1-OD1 3.31Å |
| 518 | I | 75.1 | Confident | 76.7 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | trans | -94 | 105.3 | 179 | -55.7 | 179.6 | 0 | 0 | 0 | 109.9 | I489 F506 I511 L513 | I489-I518 HydrophobicContact CD1-CD1 3.79Å; F506-I518 HydrophobicContact CD1-CB 3.99Å; F506-I518 HydrophobicContact CD1-CG2 3.89Å; F506-I518 HydrophobicContact CE1-CB 4.37Å; F506-I518 HydrophobicContact CE1-CD1 4.43Å; F506-I518 HydrophobicContact CE1-CG2 3.97Å; I511-I518 HydrophobicContact CG2-CD1 3.72Å; L513-I518 HydrophobicContact CB-CD1 3.8Å; L513-I518 HydrophobicContact CB-CG1 3.67Å | ||
| 519 | T | 75.3 | Confident | 77.2 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 74% | 0.736 | 37% | 0.372 | S | S | * | . | trans | -86.4 | 109.1 | 171.2 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | T521 | T519-T521 PolarHBondContact O-N 2.99Š| ||
| 520 | L | 78 | Confident | 77.7 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | trans | -59.4 | 129.3 | 172 | -66.6 | 173.2 | 0 | 0 | 0 | 110.9 | F503 F506 E524 R525 I528 | F503-L520 HydrophobicContact CD1-CD1 3.84Å; F503-L520 HydrophobicContact CE1-CD1 4.24Å; F506-L520 HydrophobicContact CB-CD1 4.15Å; F506-L520 HydrophobicContact CB-CG 4.17Å; F506-L520 HydrophobicContact CD1-CD2 4.14Å; F506-L520 HydrophobicContact CD1-CG 4.19Å; F506-L520 HydrophobicContact CD2-CD1 3.58Å; F506-L520 HydrophobicContact CD2-CD2 4.06Å; F506-L520 HydrophobicContact CD2-CG 3.94Å; F506-L520 HydrophobicContact CE1-CD2 4.06Å; F506-L520 HydrophobicContact CE2-CD1 4.14Å; F506-L520 HydrophobicContact CE2-CD2 3.98Å; F506-L520 HydrophobicContact CE2-CG 4.38Å; F506-L520 HydrophobicContact CG-CD1 3.91Å; F506-L520 HydrophobicContact CG-CD2 4.14Å; F506-L520 HydrophobicContact CG-CG 3.85Å; F506-L520 HydrophobicContact CZ-CD2 3.99Å; L520-E524 HydrophobicContact CB-CB 4.5Å; L520-E524 HydrophobicContact CD2-CB 4.24Å; L520-R525 HydrophobicContact CB-CG 3.78Å; L520-R525 HydrophobicContact CD1-CG 4.08Å; L520-I528 HydrophobicContact CD1-CD1 3.77Å; L520-I528 HydrophobicContact CD2-CD1 4.12Å | ||
| 521 | T | 81.6 | Confident | 78.1 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | trans | -65.5 | 160.4 | 170.5 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | T519 A523 E524 R525 | T519-T521 PolarHBondContact O-N 2.99Å; T521-A523 VanDerWaalsContact C-N 3.31Å; T521-A523 PolarHBondContact O-N 3.05Å; T521-E524 VanDerWaalsContact CB-OE2 3.32Å; T521-E524 WeakPolarHBondContact CB-OE2 3.39Å; T521-E524 WeakPolarHBondContact CG2-OE2 3.35Å; T521-E524 PolarHBondContact N-OE2 2.97Å; T521-E524 PolarHBondContact O-N 2.97Å; T521-E524 VanDerWaalsContact O-N 3.16Å; T521-E524 VanDerWaalsContact OG1-CD 3.31Å; T521-E524 VanDerWaalsContact OG1-CG 3.28Å; T521-E524 WeakPolarHBondContact OG1-CG 3.45Å; T521-E524 PolarHBondContact OG1-N 3.39Å; T521-E524 PolarHBondContact OG1-OE2 3.3Å; T521-R525 PolarHBondContact O-N 3.07Å | ||
| 522 | Q | 78.6 | Confident | 78.6 | Confident | 148 Ų | 148 | 71.9 Ų | 71.9 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58 | -43.9 | 177.7 | -177.6 | 177.4 | -29.1 | 0 | 0 | 111.8 | E524 R525 E526 | Q522-E524 VanDerWaalsContact C-N 3.31Å; Q522-E524 PolarHBondContact O-N 2.91Å; Q522-R525 PolarHBondContact O-N 2.86Å; Q522-R525 VanDerWaalsContact O-N 3.13Å; Q522-E526 HydrophobicContact CG-CG 4.43Å; Q522-E526 VanDerWaalsContact CG-OE1 3.31Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.38Å; Q522-E526 PolarHBondContact NE2-OE1 3.36Å; Q522-E526 WeakPolarHBondContact O-CG 3.18Å; Q522-E526 PolarHBondContact O-N 3.36Å |
| 523 | A | 76.2 | Confident | 78.9 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -33.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T521 M527 | T521-A523 VanDerWaalsContact C-N 3.31Å; T521-A523 PolarHBondContact O-N 3.05Å; A523-M527 WeakPolarHBondContact O-CB 3.38Å; A523-M527 PolarHBondContact O-N 2.97Å |
| 524 | E | 80.8 | Confident | 79.2 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 172.2 | -72.3 | 164.9 | 125.4 | 0 | 0 | 111.7 | L520 T521 Q522 M527 I528 | L520-E524 HydrophobicContact CB-CB 4.5Å; L520-E524 HydrophobicContact CD2-CB 4.24Å; T521-E524 VanDerWaalsContact CB-OE2 3.32Å; T521-E524 WeakPolarHBondContact CB-OE2 3.39Å; T521-E524 WeakPolarHBondContact CG2-OE2 3.35Å; T521-E524 PolarHBondContact N-OE2 2.97Å; T521-E524 PolarHBondContact O-N 2.97Å; T521-E524 VanDerWaalsContact O-N 3.16Å; T521-E524 VanDerWaalsContact OG1-CD 3.31Å; T521-E524 VanDerWaalsContact OG1-CG 3.28Å; T521-E524 WeakPolarHBondContact OG1-CG 3.45Å; T521-E524 PolarHBondContact OG1-N 3.39Å; T521-E524 PolarHBondContact OG1-OE2 3.3Å; Q522-E524 VanDerWaalsContact C-N 3.31Å; Q522-E524 PolarHBondContact O-N 2.91Å; E524-M527 PolarHBondContact O-N 2.97Å; E524-I528 WeakPolarHBondContact O-CB 3.47Å; E524-I528 WeakPolarHBondContact O-CD1 3.39Å; E524-I528 WeakPolarHBondContact O-CG1 3.45Å; E524-I528 PolarHBondContact O-N 3.49Å |
| 525 | R | 85.5 | Confident | 79.7 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.8 | -66.1 | -169.6 | -171.1 | -108.5 | 1.5 | 111.5 | F503 D507 L520 T521 Q522 I528 T529 | F503-R525 HydrophobicContact CD1-CG 4.25Å; F503-R525 HydrophobicContact CE1-CB 3.87Å; F503-R525 HydrophobicContact CE1-CG 3.82Å; F503-R525 HydrophobicContact CZ-CB 4.08Å; F503-R525 HydrophobicContact CZ-CG 4.44Å; D507-R525 IonicContact OD1-CZ 3.62Å; D507-R525 IonicContact OD1-NH1 2.8Å; D507-R525 PolarHBondContact OD1-NH1 3.12Å; D507-R525 IonicContact OD1-NH2 2.68Å; D507-R525 PolarHBondContact OD1-NH2 3.4Å; D507-R525 IonicContact OD2-CZ 2.72Å; D507-R525 IonicContact OD2-NH1 2.66Å; D507-R525 PolarHBondContact OD2-NH1 3.3Å; D507-R525 IonicContact OD2-NH2 2.59Å; L520-R525 HydrophobicContact CB-CG 3.78Å; L520-R525 HydrophobicContact CD1-CG 4.08Å; T521-R525 PolarHBondContact O-N 3.07Å; Q522-R525 PolarHBondContact O-N 2.86Å; Q522-R525 VanDerWaalsContact O-N 3.13Å; R525-I528 PolarHBondContact O-N 3.15Å; R525-T529 PolarHBondContact O-N 3.15Å; R525-T529 PolarHBondContact O-OG1 3.22Å; R525-T529 VanDerWaalsContact O-OG1 3.05Å |
| 526 | E | 83.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 69 Ų | 69 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 173.4 | -72.6 | 169.8 | -169.6 | 0 | 0 | 111.8 | Q522 I528 T529 I530 | Q522-E526 HydrophobicContact CG-CG 4.43Å; Q522-E526 VanDerWaalsContact CG-OE1 3.31Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.38Å; Q522-E526 PolarHBondContact NE2-OE1 3.36Å; Q522-E526 WeakPolarHBondContact O-CG 3.18Å; Q522-E526 PolarHBondContact O-N 3.36Å; E526-I528 VanDerWaalsContact C-N 3.34Å; E526-I528 PolarHBondContact O-N 3.08Å; E526-T529 PolarHBondContact O-N 3.42Å; E526-I530 WeakPolarHBondContact O-CB 3.46Å; E526-I530 WeakPolarHBondContact O-CD1 3.09Å; E526-I530 VanDerWaalsContact O-CG1 3.23Å; E526-I530 WeakPolarHBondContact O-CG1 3.29Å; E526-I530 PolarHBondContact O-N 2.82Å |
| 527 | M | 80.1 | Confident | 80.7 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.2 | -173 | 179.6 | -60.8 | 0 | 0 | 112.5 | T492 A523 E524 T531 | T492-M527 HydrophobicContact CG2-CG 4.33Å; T492-M527 HydrophobicContact CG2-SD 4.21Å; A523-M527 WeakPolarHBondContact O-CB 3.38Å; A523-M527 PolarHBondContact O-N 2.97Å; E524-M527 PolarHBondContact O-N 2.97Å; M527-T531 HydrophobicContact CG-CG2 4.36Å; M527-T531 WeakPolarHBondContact O-CB 3.14Å; M527-T531 WeakPolarHBondContact O-CG2 3.38Å; M527-T531 PolarHBondContact O-N 3.09Å; M527-T531 VanDerWaalsContact O-N 3.09Å; M527-T531 PolarHBondContact O-OG1 3.29Å |
| 528 | I | 86.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 176 | -74.2 | 162.6 | 0 | 0 | 0 | 110.3 | P499 I502 F503 L520 E524 R525 E526 T531 N532 | P499-I528 HydrophobicContact CB-CG2 4.27Å; I502-I528 HydrophobicContact CB-CG2 3.96Å; I502-I528 HydrophobicContact CD1-CG2 3.73Å; I502-I528 HydrophobicContact CG1-CG2 4.45Å; I502-I528 HydrophobicContact CG2-CD1 4.01Å; I502-I528 HydrophobicContact CG2-CG1 4.43Å; I502-I528 HydrophobicContact CG2-CG2 3.89Å; F503-I528 HydrophobicContact CD1-CG2 4.36Å; F503-I528 HydrophobicContact CE1-CB 3.88Å; F503-I528 HydrophobicContact CE1-CD1 4.16Å; F503-I528 HydrophobicContact CE1-CG2 3.54Å; F503-I528 HydrophobicContact CZ-CB 4.21Å; F503-I528 HydrophobicContact CZ-CG2 3.8Å; L520-I528 HydrophobicContact CD1-CD1 3.77Å; L520-I528 HydrophobicContact CD2-CD1 4.12Å; E524-I528 WeakPolarHBondContact O-CB 3.47Å; E524-I528 WeakPolarHBondContact O-CD1 3.39Å; E524-I528 WeakPolarHBondContact O-CG1 3.45Å; E524-I528 PolarHBondContact O-N 3.49Å; R525-I528 PolarHBondContact O-N 3.15Å; E526-I528 VanDerWaalsContact C-N 3.34Å; E526-I528 PolarHBondContact O-N 3.08Å; I528-T531 PolarHBondContact O-N 3.18Å; I528-N532 PolarHBondContact O-N 3.26Å; I528-N532 PolarHBondContact O-ND2 3.22Å |
| 529 | T | 85.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | F503 R525 E526 T531 | F503-T529 WeakPolarHBondContact CZ-OG1 3.26Å; R525-T529 PolarHBondContact O-N 3.15Å; R525-T529 PolarHBondContact O-OG1 3.22Å; R525-T529 VanDerWaalsContact O-OG1 3.05Å; E526-T529 PolarHBondContact O-N 3.42Å; T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 2.93Å |
| 530 | I | 83.3 | Confident | 81 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 59% | 0.59 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73.4 | -26.3 | -178.3 | -69.2 | 165.4 | 0 | 0 | 0 | 112.2 | E526 | E526-I530 WeakPolarHBondContact O-CB 3.46Å; E526-I530 WeakPolarHBondContact O-CD1 3.09Å; E526-I530 VanDerWaalsContact O-CG1 3.23Å; E526-I530 WeakPolarHBondContact O-CG1 3.29Å; E526-I530 PolarHBondContact O-N 2.82Å |
| 531 | T | 84 | Confident | 81.3 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -114.7 | -2.3 | -170.4 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | T492 Q493 M527 I528 T529 | T492-T531 WeakPolarHBondContact CB-OG1 3.48Å; T492-T531 WeakPolarHBondContact CG2-OG1 3.26Å; Q493-T531 WeakPolarHBondContact CA-O 3.48Å; Q493-T531 PolarHBondContact N-O 3.11Å; M527-T531 HydrophobicContact CG-CG2 4.36Å; M527-T531 WeakPolarHBondContact O-CB 3.14Å; M527-T531 WeakPolarHBondContact O-CG2 3.38Å; M527-T531 PolarHBondContact O-N 3.09Å; M527-T531 VanDerWaalsContact O-N 3.09Å; M527-T531 PolarHBondContact O-OG1 3.29Å; I528-T531 PolarHBondContact O-N 3.18Å; T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 2.93Å |
| 532 | N | 87.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -128.1 | 148.8 | 175.7 | -53 | -83.5 | 0 | 0 | 0 | 110 | I491 T492 N494 L497 I502 I528 D534 | I491-N532 PolarHBondContact O-ND2 2.71Å; T492-N532 WeakPolarHBondContact CA-OD1 3.3Å; N494-N532 WeakPolarHBondContact CB-OD1 3.12Å; N494-N532 PolarHBondContact N-OD1 2.8Å; N494-N532 VanDerWaalsContact N-OD1 3.11Å; N494-N532 PolarHBondContact ND2-OD1 2.87Å; L497-N532 CarbonylContact O-C 3.59Å; L497-N532 WeakPolarHBondContact O-CB 3.19Å; I502-N532 HydrophobicContact CD1-CB 3.8Å; I528-N532 PolarHBondContact O-N 3.26Å; I528-N532 PolarHBondContact O-ND2 3.22Å; N532-D534 PolarHBondContact O-N 3.14Å |
| 533 | G | 84.3 | Confident | 81.8 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | trans | 76.4 | 15.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | N494 R495 L497 L535 A536 | N494-G533 PolarHBondContact O-N 3.04Å; R495-G533 CarbonylContact O-C 3.56Å; R495-G533 WeakPolarHBondContact O-CA 3.39Å; L497-G533 VanDerWaalsContact O-CA 3.28Å; L497-G533 WeakPolarHBondContact O-CA 3.42Å; L497-G533 PolarHBondContact O-N 3.21Å; G533-L535 PolarHBondContact O-N 2.92Å; G533-A536 WeakPolarHBondContact O-CB 3.32Å; G533-A536 PolarHBondContact O-N 2.83Å | ||
| 534 | D | 80.6 | Confident | 82.4 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.9 | 179.5 | 76.2 | -57.9 | 0 | 0 | 0 | 114.2 | R495 N532 | R495-D534 VanDerWaalsContact CA-OD1 3.23Å; R495-D534 WeakPolarHBondContact CA-OD1 3.05Å; R495-D534 WeakPolarHBondContact CB-OD1 3.46Å; R495-D534 WeakPolarHBondContact CG-OD1 3.38Å; R495-D534 IonicContact CZ-OD2 3.74Å; R495-D534 IonicContact NE-OD1 2.69Å; R495-D534 PolarHBondContact NE-OD1 2.81Å; R495-D534 VanDerWaalsContact NE-OD1 3.07Å; R495-D534 IonicContact NE-OD2 3.69Å; R495-D534 PolarHBondContact NE-OD2 2.92Å; R495-D534 IonicContact NH2-OD2 3.75Å; R495-D534 PolarHBondContact NH2-OD2 3.45Å; R495-D534 PolarHBondContact O-N 3.49Å; N532-D534 PolarHBondContact O-N 3.14Å |
| 535 | L | 78.6 | Confident | 82.8 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 9.1 | 168.9 | -62.2 | -178 | 0 | 0 | 0 | 112.8 | R495 Q496 G533 | R495-L535 HydrophobicContact CB-CB 4.37Å; R495-L535 HydrophobicContact CB-CD1 4.18Å; R495-L535 HydrophobicContact CB-CG 4.26Å; R495-L535 WeakPolarHBondContact O-CA 3.49Å; R495-L535 PolarHBondContact O-N 3.31Å; Q496-L535 HydrophobicContact CG-CB 4.22Å; G533-L535 PolarHBondContact O-N 2.92Å |
| 536 | A | 76.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | trans | -88 | 144.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R495 G533 | R495-A536 PolarHBondContact O-N 3.12Å; G533-A536 WeakPolarHBondContact O-CB 3.32Å; G533-A536 PolarHBondContact O-N 2.83Å | ||
| 537 | Y | 79.2 | Confident | 83.5 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 27% | 0.271 | 33% | 0.325 | S | S | . | . | trans | -107.7 | 108.3 | 164.7 | -69 | -104.7 | 0 | 0 | 0 | 105.2 | W540 K662 R667 T668 | Y537-W540 HydrophobicContact CG-CZ2 4.08Å; Y537-W540 PolarHBondContact O-NE1 2.79Å; Y537-K662 HydrophobicContact CD1-CB 4.41Å; Y537-K662 HydrophobicContact CD1-CG 4.39Å; Y537-K662 HydrophobicContact CE1-CB 3.74Å; Y537-K662 HydrophobicContact CE1-CD 4.4Å; Y537-K662 HydrophobicContact CE1-CG 4.05Å; Y537-K662 HydrophobicContact CE2-CD 4.34Å; Y537-R667 WeakPolarHBondContact CA-O 3.49Å; Y537-T668 WeakPolarHBondContact CD1-O 3.17Å | ||
| 538 | C | 76.1 | Confident | 84 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | trans | -95.4 | -29 | -167.4 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | C498 | C498-C538 VanDerWaalsContact CA-SG 3.54Å; C498-C538 HydrophobicContact CB-CB 3.92Å; C498-C538 WeakPolarHBondContact CB-SG 3.43Å; C498-C538 WeakPolarHBondContact SG-CA 3.42Å; C498-C538 WeakPolarHBondContact SG-CB 3.43Å; C498-C538 CovalentContact SG-SG 2.04Å; C498-C538 PolarHBondContact SG-SG 2.81Å | ||
| 539 | N | 77.4 | Confident | 83.9 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | trans | -100.6 | 109.1 | 178.2 | -167.9 | -17.7 | 0 | 0 | 0 | 110.7 | T668 G669 | N539-T668 HydrophobicContact CB-CG2 3.94Å; N539-G669 PolarHBondContact O-N 2.92Å | ||
| 540 | W | 77.9 | Confident | 84 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.6 | 179 | -73.8 | 87.8 | 0 | 0 | 0 | 112.2 | Y537 R610 K662 G669 V671 | Y537-W540 HydrophobicContact CG-CZ2 4.08Å; Y537-W540 PolarHBondContact O-NE1 2.79Å; W540-R610 VanDerWaalsContact CZ3-NH2 3.26Å; W540-K662 HydrophobicContact CH2-CD 4.46Å; W540-K662 HydrophobicContact CH2-CG 3.8Å; W540-G669 CarbonylContact C-O 3.56Å; W540-G669 WeakPolarHBondContact CA-O 3.19Å; W540-V671 HydrophobicContact CE3-CB 4.01Å; W540-V671 HydrophobicContact CE3-CG1 3.85Å; W540-V671 HydrophobicContact CZ3-CB 4.31Å |
| 541 | R | 83.6 | Confident | 84.1 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 160.2 | 170.3 | -67 | -73.6 | 162.4 | 158.8 | -2.4 | 111.2 | I565 F567 G669 A670 V671 | R541-I565 HydrophobicContact CB-CG2 4.12Å; R541-I565 HydrophobicContact CG-CG2 4.44Å; R541-F567 HydrophobicContact CB-CE1 4.12Å; R541-F567 HydrophobicContact CB-CZ 4.48Å; R541-F567 HydrophobicContact CG-CD1 3.62Å; R541-F567 HydrophobicContact CG-CE1 3.38Å; R541-F567 HydrophobicContact CG-CG 4.47Å; R541-F567 HydrophobicContact CG-CZ 4.09Å; R541-G669 PolarHBondContact N-O 3.18Å; R541-A670 HydrophobicContact CB-CB 4.23Å; R541-A670 CarbonylContact O-C 3.45Å; R541-A670 VanDerWaalsContact O-CA 3.3Å; R541-A670 WeakPolarHBondContact O-CA 3.38Å; R541-V671 PolarHBondContact O-N 3.1Å |
| 542 | K | 82.8 | Confident | 84.1 | Confident | 177 Ų | 177 | 59.9 Ų | 59.9 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.1 | 177.9 | -67.9 | 173.4 | -175.6 | 165.7 | 0 | 110.4 | V671 | K542-V671 WeakPolarHBondContact CA-O 3.42Å |
| 543 | F | 88.9 | Confident | 84 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 173.1 | 175.2 | 63.5 | -87.7 | 0 | 0 | 0 | 110.2 | I545 W559 I565 V659 M661 A670 S672 N673 | F543-I545 HydrophobicContact CD2-CG2 4.19Å; F543-I545 HydrophobicContact CE2-CG2 3.81Å; F543-W559 HydrophobicContact CE2-CB 4.04Å; F543-I565 HydrophobicContact CD1-CD1 4.3Å; F543-V659 HydrophobicContact CE2-CB 4.16Å; F543-V659 HydrophobicContact CE2-CG1 4.49Å; F543-V659 HydrophobicContact CZ-CB 3.88Å; F543-V659 HydrophobicContact CZ-CG1 4Å; F543-M661 HydrophobicContact CE1-CE 4.08Å; F543-M661 HydrophobicContact CE1-CG 4.36Å; F543-M661 HydrophobicContact CE2-CE 4.03Å; F543-M661 HydrophobicContact CZ-CE 3.69Å; F543-M661 HydrophobicContact CZ-CG 4.36Å; F543-A670 HydrophobicContact CD1-CB 3.94Å; F543-A670 HydrophobicContact CE1-CB 3.87Å; F543-S672 CarbonylContact O-C 3.49Å; F543-S672 WeakPolarHBondContact O-CA 3.33Å; F543-N673 PolarHBondContact O-N 2.69Å |
| 544 | D | 87.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | trans | -114.9 | 152.3 | 178.8 | -63.8 | -63 | 0 | 0 | 0 | 111.6 | N673 | D544-N673 WeakPolarHBondContact OD1-CB 3.36Å; D544-N673 PolarHBondContact OD1-ND2 3.21Å | ||
| 545 | I | 90.6 | Very high | 84.9 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | trans | -117.5 | 148.9 | 176 | 65.7 | -175.2 | 0 | 0 | 0 | 111.8 | F543 V557 I558 W559 V657 V659 N673 V675 | F543-I545 HydrophobicContact CD2-CG2 4.19Å; F543-I545 HydrophobicContact CE2-CG2 3.81Å; I545-V557 HydrophobicContact CB-CG1 4.41Å; I545-V557 HydrophobicContact CD1-CG1 3.97Å; I545-I558 CarbonylContact C-O 3.5Å; I545-I558 WeakPolarHBondContact CA-O 3.43Å; I545-I558 WeakPolarHBondContact CB-O 3.32Å; I545-W559 HydrophobicContact CG2-CB 3.72Å; I545-V657 HydrophobicContact CD1-CG1 4.05Å; I545-V657 HydrophobicContact CD1-CG2 4.41Å; I545-V659 HydrophobicContact CG2-CG2 4.22Å; I545-N673 PolarHBondContact N-OD1 2.87Å; I545-V675 HydrophobicContact CD1-CB 4.26Å; I545-V675 HydrophobicContact CD1-CG2 4.06Å; I545-V675 HydrophobicContact CG1-CB 4.15Å; I545-V675 HydrophobicContact CG1-CG2 3.51Å | ||
| 546 | K | 90.6 | Very high | 85.5 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 153.1 | 178.7 | -64.6 | 172.8 | 179.6 | 174.2 | 0 | 109.8 | I558 Y641 | K546-I558 HydrophobicContact CB-CB 4.31Å; K546-I558 PolarHBondContact N-O 2.85Å; K546-I558 PolarHBondContact O-N 2.69Å; K546-Y641 PolarHBondContact NZ-OH 3.04Å |
| 547 | L | 91.4 | Very high | 86.3 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.7 | 176.9 | -62.2 | -178.2 | 0 | 0 | 0 | 111.2 | V555 R556 V557 V657 V675 F677 | L547-V555 HydrophobicContact CB-CG2 4.32Å; L547-V555 HydrophobicContact CD2-CG2 4.35Å; L547-R556 CarbonylContact C-O 3.48Å; L547-R556 WeakPolarHBondContact CA-O 3.21Å; L547-V557 HydrophobicContact CD2-CB 4.19Å; L547-V557 HydrophobicContact CD2-CG1 4.09Å; L547-V557 HydrophobicContact CD2-CG2 3.79Å; L547-V657 HydrophobicContact CD2-CG1 4.29Å; L547-V675 HydrophobicContact CD1-CG1 3.73Å; L547-V675 HydrophobicContact CG-CG1 4.13Å; L547-F677 HydrophobicContact CD1-CB 3.65Å; L547-F677 HydrophobicContact CD1-CD1 3.79Å; L547-F677 HydrophobicContact CD1-CG 3.94Å |
| 548 | S | 89.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 167.9 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | L550 V555 R556 I558 | S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.03Å; S548-V555 WeakPolarHBondContact O-CG2 3.3Å; S548-R556 PolarHBondContact N-O 3.42Å; S548-R556 PolarHBondContact O-N 2.84Å; S548-R556 PolarHBondContact OG-O 3.47Å; S548-I558 WeakPolarHBondContact OG-CD1 3.48Å |
| 549 | G | 84.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | trans | 60.3 | 36.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 550 | L | 87.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | trans | -64.5 | 136.8 | 177.2 | -175.3 | 65.6 | 0 | 0 | 0 | 111.1 | S548 V555 F677 T678 | S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.03Å; L550-V555 HydrophobicContact CB-CG2 4.43Å; L550-V555 HydrophobicContact CD1-CB 4.19Å; L550-V555 HydrophobicContact CD1-CG2 4.07Å; L550-F677 HydrophobicContact CD1-CD2 3.94Å; L550-T678 WeakPolarHBondContact CD2-O 3.48Å | ||
| 551 | S | 86.9 | Confident | 88.4 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | trans | -140.5 | -170 | 171.8 | 81 | 0 | 0 | 0 | 0 | 111 | H553 S554 T679 L680 | S551-H553 PolarHBondContact O-N 3.07Å; S551-H553 PolarHBondContact OG-N 2.92Å; S551-S554 PolarHBondContact N-O 3.25Å; S551-S554 PolarHBondContact OG-N 2.57Å; S551-S554 PolarHBondContact OG-OG 2.85Å; S551-T679 WeakPolarHBondContact O-CA 3.34Å; S551-T679 WeakPolarHBondContact O-CB 3.46Å; S551-L680 PolarHBondContact O-N 3.49Å | ||
| 552 | S | 82.7 | Confident | 88.4 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -70.2 | -16.3 | 170.1 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | S651 L680 | S552-S651 VanDerWaalsContact O-CA 3.27Å; S552-S651 WeakPolarHBondContact O-CA 3.38Å; S552-S651 PolarHBondContact O-N 2.9Å; S552-L680 WeakPolarHBondContact CA-O 3.32Å; S552-L680 WeakPolarHBondContact CB-O 3.37Å |
| 553 | H | 86.9 | Confident | 87.9 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -138 | 3.6 | -173.3 | -63.1 | 88.1 | 0 | 0 | 0 | 114.8 | S551 F647 K648 L649 | S551-H553 PolarHBondContact O-N 3.07Å; S551-H553 PolarHBondContact OG-N 2.92Å; H553-F647 CarbonylContact O-C 3.57Å; H553-K648 PolarHBondContact O-N 2.84Å; H553-K648 VanDerWaalsContact O-N 3.09Å; H553-L649 PolarHBondContact CD2-O 2.92Å; H553-L649 VanDerWaalsContact CD2-O 3.26Å; H553-L649 PolarHBondContact O-N 2.86Å |
| 554 | S | 89.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -150.9 | 158.4 | -175.9 | 68 | 0 | 0 | 0 | 0 | 114.4 | S551 L646 | S551-S554 PolarHBondContact N-O 3.25Å; S551-S554 PolarHBondContact OG-N 2.57Å; S551-S554 PolarHBondContact OG-OG 2.85Å; S554-L646 WeakPolarHBondContact CA-O 3.5Å; S554-L646 WeakPolarHBondContact CB-O 3.35Å | ||
| 555 | V | 92.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.7 | 162.3 | 74.4 | 0 | 0 | 0 | 0 | 109.6 | L547 S548 L550 V557 T645 L646 L649 F677 | L547-V555 HydrophobicContact CB-CG2 4.32Å; L547-V555 HydrophobicContact CD2-CG2 4.35Å; S548-V555 WeakPolarHBondContact O-CG2 3.3Å; L550-V555 HydrophobicContact CB-CG2 4.43Å; L550-V555 HydrophobicContact CD1-CB 4.19Å; L550-V555 HydrophobicContact CD1-CG2 4.07Å; V555-V557 HydrophobicContact CG1-CG2 4.21Å; V555-T645 CarbonylContact O-C 3.6Å; V555-L646 HydrophobicContact CG1-CB 4.34Å; V555-L646 HydrophobicContact CG1-CD1 4.08Å; V555-L646 HydrophobicContact CG1-CG 4.39Å; V555-L646 PolarHBondContact N-O 3.04Å; V555-L646 VanDerWaalsContact N-O 3.13Å; V555-L646 PolarHBondContact O-N 2.94Å; V555-L649 HydrophobicContact CG1-CD1 4.18Å; V555-F677 HydrophobicContact CB-CD2 4.43Å; V555-F677 HydrophobicContact CB-CE2 4.07Å; V555-F677 HydrophobicContact CB-CZ 4.38Å; V555-F677 HydrophobicContact CG1-CD2 4.27Å; V555-F677 HydrophobicContact CG1-CE1 3.95Å; V555-F677 HydrophobicContact CG1-CE2 3.62Å; V555-F677 HydrophobicContact CG1-CZ 3.44Å; V555-F677 VanDerWaalsContact CG1-CZ 3.44Å |
| 556 | R | 92.5 | Very high | 85.6 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.3 | 172.7 | -171.8 | 176.2 | -148 | -131.5 | -1.9 | 111 | L547 S548 I558 G643 T645 | L547-R556 CarbonylContact C-O 3.48Å; L547-R556 WeakPolarHBondContact CA-O 3.21Å; S548-R556 PolarHBondContact N-O 3.42Å; S548-R556 PolarHBondContact O-N 2.84Å; S548-R556 PolarHBondContact OG-O 3.47Å; R556-I558 HydrophobicContact CG-CG1 4.34Å; R556-G643 PolarHBondContact NH2-O 2.95Å; R556-T645 HydrophobicContact CB-CG2 4.49Å |
| 557 | V | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.6 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | I545 L547 V555 W559 L593 G643 L644 L646 V657 | I545-V557 HydrophobicContact CB-CG1 4.41Å; I545-V557 HydrophobicContact CD1-CG1 3.97Å; L547-V557 HydrophobicContact CD2-CB 4.19Å; L547-V557 HydrophobicContact CD2-CG1 4.09Å; L547-V557 HydrophobicContact CD2-CG2 3.79Å; V555-V557 HydrophobicContact CG1-CG2 4.21Å; V557-W559 HydrophobicContact CB-CZ3 4.31Å; V557-W559 HydrophobicContact CG1-CE3 4.18Å; V557-W559 HydrophobicContact CG1-CZ3 4.36Å; V557-W559 WeakPolarHBondContact O-CZ3 3.45Å; V557-L593 HydrophobicContact CB-CD1 3.89Å; V557-L593 HydrophobicContact CG1-CD1 4.05Å; V557-L593 HydrophobicContact CG2-CD1 4.07Å; V557-G643 CarbonylContact O-C 3.59Å; V557-G643 WeakPolarHBondContact O-CA 3.13Å; V557-L644 PolarHBondContact N-O 2.78Å; V557-L644 PolarHBondContact O-N 2.95Å; V557-L646 HydrophobicContact CG2-CD1 3.97Å; V557-L646 HydrophobicContact CG2-CG 4.13Å; V557-V657 HydrophobicContact CG1-CG2 4.28Å; V557-V657 HydrophobicContact CG2-CG2 4.25Å |
| 558 | I | 91.7 | Very high | 82.6 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.2 | -172.1 | -59.9 | 177.7 | 0 | 0 | 0 | 109.4 | I545 K546 S548 R556 Y641 C642 | I545-I558 CarbonylContact C-O 3.5Å; I545-I558 WeakPolarHBondContact CA-O 3.43Å; I545-I558 WeakPolarHBondContact CB-O 3.32Å; K546-I558 HydrophobicContact CB-CB 4.31Å; K546-I558 PolarHBondContact N-O 2.85Å; K546-I558 PolarHBondContact O-N 2.69Å; S548-I558 WeakPolarHBondContact OG-CD1 3.48Å; R556-I558 HydrophobicContact CG-CG1 4.34Å; I558-Y641 HydrophobicContact CG2-CD1 3.93Å; I558-Y641 HydrophobicContact CG2-CG 3.88Å; I558-C642 WeakPolarHBondContact CA-O 3.35Å |
| 559 | W | 90.1 | Very high | 80.5 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 159.2 | -177.4 | 61.9 | 83.6 | 0 | 0 | 0 | 112.3 | F543 I545 V557 M591 L593 A622 Y641 C642 L644 V659 | F543-W559 HydrophobicContact CE2-CB 4.04Å; I545-W559 HydrophobicContact CG2-CB 3.72Å; V557-W559 HydrophobicContact CB-CZ3 4.31Å; V557-W559 HydrophobicContact CG1-CE3 4.18Å; V557-W559 HydrophobicContact CG1-CZ3 4.36Å; V557-W559 WeakPolarHBondContact O-CZ3 3.45Å; W559-M591 HydrophobicContact CZ2-CE 4.41Å; W559-L593 HydrophobicContact CH2-CD1 4.39Å; W559-L593 HydrophobicContact CZ3-CD1 3.85Å; W559-A622 HydrophobicContact CH2-CB 3.93Å; W559-A622 HydrophobicContact CZ2-CB 3.74Å; W559-Y641 CarbonylContact O-C 3.23Å; W559-Y641 WeakPolarHBondContact O-CA 3.16Å; W559-C642 HydrophobicContact CZ2-CB 4.08Å; W559-C642 PolarHBondContact N-O 3.26Å; W559-C642 PolarHBondContact O-N 2.76Å; W559-L644 HydrophobicContact CH2-CB 3.7Å; W559-L644 HydrophobicContact CZ3-CB 4.02Å; W559-V659 HydrophobicContact CD2-CG1 4.48Å; W559-V659 HydrophobicContact CD2-CG2 4.23Å; W559-V659 HydrophobicContact CE3-CG2 3.96Å; W559-V659 HydrophobicContact CZ3-CG2 4.38Å |
| 560 | P | 88.1 | Confident | 78.4 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.195 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 149.1 | -177.6 | -21.9 | 34 | 0 | 0 | 0 | 113.4 | T564 | P560-T564 WeakPolarHBondContact CB-OG1 3.31Å |
| 561 | Y | 84.8 | Confident | 75.7 | Confident | 53 Ų | 53 | 60 Ų | 60 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | trans | -65.2 | 140.6 | 176.6 | -164.1 | -85.6 | 0 | 0 | 0 | 111.7 | S563 T564 C624 L640 C642 | Y561-S563 VanDerWaalsContact C-N 3.3Å; Y561-S563 WeakPolarHBondContact CD1-OG 3.19Å; Y561-S563 PolarHBondContact O-N 2.82Å; Y561-S563 VanDerWaalsContact O-N 3.09Å; Y561-T564 PolarHBondContact O-N 2.66Å; Y561-T564 PolarHBondContact O-OG1 2.99Å; Y561-T564 VanDerWaalsContact O-OG1 3.08Å; Y561-C624 HydrophobicContact CD2-CB 4.02Å; Y561-C624 HydrophobicContact CE2-CB 3.62Å; Y561-L640 WeakPolarHBondContact CB-O 3.42Å; Y561-L640 HydrophobicContact CD2-CB 4.42Å; Y561-L640 HydrophobicContact CD2-CD2 4.26Å; Y561-L640 HydrophobicContact CG-CB 4.24Å; Y561-L640 HydrophobicContact CG-CD2 4.24Å; Y561-L640 PolarHBondContact N-O 2.71Å; Y561-L640 VanDerWaalsContact N-O 3.16Å; Y561-C642 VanDerWaalsContact CD2-SG 3.56Å | ||
| 562 | P | 82.7 | Confident | 73 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 7% | 0.071 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -56.1 | -34.5 | -167.8 | -29.9 | 35.4 | 0 | 0 | 0 | 116.3 | T564 I565 V589 M591 M661 F663 | P562-T564 PolarHBondContact O-N 3.47Å; P562-I565 WeakPolarHBondContact O-CB 3.19Å; P562-I565 PolarHBondContact O-N 2.68Å; P562-I565 VanDerWaalsContact O-N 3.09Å; P562-V589 HydrophobicContact CB-CB 4.32Å; P562-V589 HydrophobicContact CB-CG1 4.16Å; P562-V589 HydrophobicContact CB-CG2 3.83Å; P562-V589 HydrophobicContact CG-CB 4.46Å; P562-V589 HydrophobicContact CG-CG1 4.32Å; P562-V589 HydrophobicContact CG-CG2 4.43Å; P562-M591 HydrophobicContact CG-CE 3.74Å; P562-M591 HydrophobicContact CG-SD 3.58Å; P562-M591 VanDerWaalsContact CG-SD 3.58Å; P562-M661 HydrophobicContact CB-SD 4.14Å; P562-M661 HydrophobicContact CG-SD 4.04Å; P562-F663 HydrophobicContact CB-CE1 4.44Å |
| 563 | S | 73.3 | Confident | 70.6 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -66.9 | -12.6 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | Y561 I565 | Y561-S563 VanDerWaalsContact C-N 3.3Å; Y561-S563 WeakPolarHBondContact CD1-OG 3.19Å; Y561-S563 PolarHBondContact O-N 2.82Å; Y561-S563 VanDerWaalsContact O-N 3.09Å; S563-I565 VanDerWaalsContact C-N 3.26Å; S563-I565 PolarHBondContact O-N 3.08Å |
| 564 | T | 76.2 | Confident | 67.8 | Low | 82 Ų | 82 | 74.1 Ų | 74.1 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -81 | -5 | 172.8 | 78.6 | 0 | 0 | 0 | 0 | 112.9 | P560 Y561 P562 Q566 | P560-T564 WeakPolarHBondContact CB-OG1 3.31Å; Y561-T564 PolarHBondContact O-N 2.66Å; Y561-T564 PolarHBondContact O-OG1 2.99Å; Y561-T564 VanDerWaalsContact O-OG1 3.08Å; P562-T564 PolarHBondContact O-N 3.47Å; T564-Q566 PolarHBondContact O-N 3.29Å |
| 565 | I | 76.2 | Confident | 64.9 | Low | 24 Ų | 24 | 80.3 Ų | 80.3 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | trans | -90 | 91.4 | -179.7 | -60.6 | 169.5 | 0 | 0 | 0 | 109.5 | R541 F543 P562 S563 F567 M661 A670 | R541-I565 HydrophobicContact CB-CG2 4.12Å; R541-I565 HydrophobicContact CG-CG2 4.44Å; F543-I565 HydrophobicContact CD1-CD1 4.3Å; P562-I565 WeakPolarHBondContact O-CB 3.19Å; P562-I565 PolarHBondContact O-N 2.68Å; P562-I565 VanDerWaalsContact O-N 3.09Å; S563-I565 VanDerWaalsContact C-N 3.26Å; S563-I565 PolarHBondContact O-N 3.08Å; I565-F567 HydrophobicContact CG2-CD2 4.48Å; I565-F567 HydrophobicContact CG2-CE2 3.83Å; I565-F567 HydrophobicContact CG2-CZ 4Å; I565-F567 WeakPolarHBondContact O-CD2 3.21Å; I565-F567 PolarHBondContact O-N 3.27Å; I565-M661 HydrophobicContact CD1-CE 3.77Å; I565-M661 HydrophobicContact CD1-SD 3.42Å; I565-M661 WeakPolarHBondContact CD1-SD 3.25Å; I565-A670 HydrophobicContact CD1-CB 3.84Å; I565-A670 HydrophobicContact CG2-CB 4.07Å | ||
| 566 | Q | 67.4 | Low | 61.9 | Low | 171 Ų | 171 | 90.1 Ų | 90.1 | 80% | 0.799 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 120.1 | 176.2 | -67.4 | -179 | -12.8 | 0 | 0 | 111.5 | T564 | T564-Q566 PolarHBondContact O-N 3.29Š|
| 567 | F | 62.7 | Low | 59 | Low | 30 Ų | 30 | 89.6 Ų | 89.6 | 13% | 0.132 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 137.7 | 160 | -62.5 | -89.8 | 0 | 0 | 0 | 107.6 | R541 I565 F663 T668 G669 | R541-F567 HydrophobicContact CB-CE1 4.12Å; R541-F567 HydrophobicContact CB-CZ 4.48Å; R541-F567 HydrophobicContact CG-CD1 3.62Å; R541-F567 HydrophobicContact CG-CE1 3.38Å; R541-F567 HydrophobicContact CG-CG 4.47Å; R541-F567 HydrophobicContact CG-CZ 4.09Å; I565-F567 HydrophobicContact CG2-CD2 4.48Å; I565-F567 HydrophobicContact CG2-CE2 3.83Å; I565-F567 HydrophobicContact CG2-CZ 4Å; I565-F567 WeakPolarHBondContact O-CD2 3.21Å; I565-F567 PolarHBondContact O-N 3.27Å; F567-F663 HydrophobicContact CE2-CD1 4.49Å; F567-F663 AromaticContact CE2-CD2 3.8Å; F567-F663 HydrophobicContact CE2-CD2 3.8Å; F567-F663 HydrophobicContact CE2-CE1 4.34Å; F567-F663 AromaticContact CE2-CE2 3.66Å; F567-F663 HydrophobicContact CE2-CE2 3.66Å; F567-F663 HydrophobicContact CE2-CG 4.25Å; F567-F663 AromaticContact CE2-CZ 3.95Å; F567-F663 HydrophobicContact CE2-CZ 3.95Å; F567-F663 AromaticContact CZ-CD2 3.7Å; F567-F663 HydrophobicContact CZ-CD2 3.7Å; F567-F663 AromaticContact CZ-CE2 3.63Å; F567-F663 HydrophobicContact CZ-CE2 3.63Å; F567-F663 HydrophobicContact CZ-CG 4.5Å; F567-F663 HydrophobicContact CZ-CZ 4.36Å; F567-T668 HydrophobicContact CD1-CG2 3.92Å; F567-T668 HydrophobicContact CE1-CG2 4.07Å; F567-T668 VanDerWaalsContact CE1-OG1 3.29Å; F567-T668 WeakPolarHBondContact CE1-OG1 2.9Å; F567-T668 VanDerWaalsContact CZ-OG1 3.29Å; F567-T668 WeakPolarHBondContact CZ-OG1 3.4Å; F567-G669 WeakPolarHBondContact CE1-O 3.42Å |
| 568 | A | 55.3 | Low | 56 | Low | 63 Ų | 63 | 99.3 Ų | 99.3 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -85.8 | 117.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T570 | A568-T570 PolarHBondContact O-N 3.16Š|
| 569 | D | 46.4 | Very low | 52.9 | Low | 155 Ų | 155 | 100.7 Ų | 100.7 | 83% | 0.829 | 58% | 0.578 | S | S | * | * | trans | -71.7 | 106.8 | 179.2 | -69.1 | -42 | 0 | 0 | 0 | 111.1 | S571 | D569-S571 VanDerWaalsContact C-N 3.34Å; D569-S571 PolarHBondContact O-N 3.12Å; D569-S571 VanDerWaalsContact O-N 3.1Å | ||
| 570 | T | 40.4 | Very low | 50.2 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -83.7 | 79.8 | 172.9 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | A568 | A568-T570 PolarHBondContact O-N 3.16Š| ||
| 571 | S | 30.3 | Very low | 47.3 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | 50.4 | 89.6 | 157.4 | 62.1 | 0 | 0 | 0 | 0 | 117.9 | D569 | D569-S571 VanDerWaalsContact C-N 3.34Å; D569-S571 PolarHBondContact O-N 3.12Å; D569-S571 VanDerWaalsContact O-N 3.1Å | ||
| 572 | M | 30.8 | Very low | 44.5 | Very low | 189 Ų | 189 | 117.6 Ų | 117.6 | 93% | 0.931 | 68% | 0.679 | S | S | * | * | -110.3 | 152.6 | 122.7 | -77.5 | -166.5 | 168.3 | 0 | 0 | 108.5 | |||||
| 573 | N | 31.1 | Very low | 41.8 | Very low | 158 Ų | 158 | 121.9 Ų | 121.9 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -74.7 | 131.8 | -161.5 | -70.6 | -44.8 | 0 | 0 | 0 | 112.9 | N575 | N573-N575 PolarHBondContact O-N 2.77Å; N573-N575 VanDerWaalsContact O-N 3.09Å | ||
| 574 | A | 29 | Very low | 40 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -65.7 | 107.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 575 | N | 28.7 | Very low | 38 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -169.3 | 49.2 | 166.8 | -105.8 | -17.7 | 0 | 0 | 0 | 114.1 | N573 | N573-N575 PolarHBondContact O-N 2.77Å; N573-N575 VanDerWaalsContact O-N 3.09Å | ||
| 576 | F | 30.3 | Very low | 36.5 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -147.7 | 147.3 | 160.4 | -119.9 | -80.4 | 0 | 0 | 0 | 114.6 | ||
| 577 | S | 30.7 | Very low | 36 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 46.2 | 85.6 | 172 | 40.7 | 0 | 0 | 0 | 0 | 118.1 | G579 | S577-G579 PolarHBondContact O-N 3.33Š| ||
| 578 | H | 29.7 | Very low | 36.2 | Very low | 204 Ų | 204 | 133.9 Ų | 133.9 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | trans | -56.9 | 126.2 | 141.8 | -120.8 | -98.1 | 0 | 0 | 0 | 109.7 | ||||
| 579 | G | 27.4 | Very low | 37.2 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | 78.3 | 109.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | S577 | S577-G579 PolarHBondContact O-N 3.33Š| ||
| 580 | L | 31.9 | Very low | 38.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | -160.7 | 150.3 | 110.5 | -102.8 | 165.6 | 0 | 0 | 0 | 111.1 | S582 | L580-S582 PolarHBondContact O-N 3.24Š| |||
| 581 | N | 28.2 | Very low | 41 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | -53.8 | 123.5 | -162.5 | -63.8 | -20.7 | 0 | 0 | 0 | 116.7 | ||||
| 582 | S | 25.4 | Very low | 43.7 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | 38.3 | 87.8 | 123.5 | -165.4 | 0 | 0 | 0 | 0 | 117.7 | L580 | L580-S582 PolarHBondContact O-N 3.24Š| |||
| 583 | S | 27.5 | Very low | 46.5 | Very low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | trans | -133.9 | 142.5 | 139.4 | 57.5 | 0 | 0 | 0 | 0 | 108.3 | V585 | S583-V585 PolarHBondContact O-N 2.03Å; S583-V585 VanDerWaalsContact O-N 3.12Å | ||
| 584 | Y | 33.9 | Very low | 49.3 | Very low | 198 Ų | 198 | 104.2 Ų | 104.2 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | trans | -68.1 | 109.3 | 175.9 | -100.9 | -115.2 | 0 | 0 | 0 | 108.5 | D586 | Y584-D586 PolarHBondContact O-N 3.16Š| ||
| 585 | V | 35.6 | Very low | 52.2 | Low | 130 Ų | 130 | 100.4 Ų | 100.4 | 79% | 0.788 | 54% | 0.543 | S | S | * | . | trans | -83.4 | 104.6 | 161.7 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | S583 E587 | S583-V585 PolarHBondContact O-N 2.03Å; S583-V585 VanDerWaalsContact O-N 3.12Å; V585-E587 PolarHBondContact O-N 2.91Å | ||
| 586 | D | 44.1 | Very low | 55 | Low | 133 Ų | 133 | 94.3 Ų | 94.3 | 71% | 0.711 | 51% | 0.51 | S | S | * | . | trans | -61.5 | 108.9 | 177.1 | -78.8 | -41.4 | 0 | 0 | 0 | 110 | Y584 L588 | Y584-D586 PolarHBondContact O-N 3.16Å; D586-L588 PolarHBondContact O-N 3.08Å; D586-L588 VanDerWaalsContact O-N 3.17Å | ||
| 587 | E | 57 | Low | 57.6 | Low | 77 Ų | 77 | 86 Ų | 86 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | trans | -58.9 | 120.9 | 167.1 | -92.4 | -162.7 | 109 | 0 | 0 | 108.7 | V585 V589 K666 | V585-E587 PolarHBondContact O-N 2.91Å; E587-V589 VanDerWaalsContact C-N 3.33Å; E587-V589 HydrophobicContact CB-CG2 4.48Å; E587-V589 WeakPolarHBondContact O-CG2 3.07Å; E587-V589 PolarHBondContact O-N 3.09Å; E587-K666 VanDerWaalsContact OE1-CD 3.27Å; E587-K666 WeakPolarHBondContact OE1-CD 3.03Å; E587-K666 WeakPolarHBondContact OE1-CE 3.49Å; E587-K666 IonicContact OE1-NZ 3.37Å; E587-K666 PolarHBondContact OE1-NZ 3Å; E587-K666 IonicContact OE2-NZ 2.63Å; E587-K666 PolarHBondContact OE2-NZ 2.96Å | ||
| 588 | L | 65.6 | Low | 59.9 | Low | 114 Ų | 114 | 81.2 Ų | 81.2 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | trans | -67.7 | 87.3 | -179.7 | -175.8 | 72.6 | 0 | 0 | 0 | 110.9 | D586 P664 | D586-L588 PolarHBondContact O-N 3.08Å; D586-L588 VanDerWaalsContact O-N 3.17Å; L588-P664 WeakPolarHBondContact O-CD 3.3Å | ||
| 589 | V | 76.4 | Confident | 61.9 | Low | 33 Ų | 33 | 75.7 Ų | 75.7 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | trans | -87.7 | 116.9 | 177.2 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | P562 E587 M591 M661 K662 F663 | P562-V589 HydrophobicContact CB-CB 4.32Å; P562-V589 HydrophobicContact CB-CG1 4.16Å; P562-V589 HydrophobicContact CB-CG2 3.83Å; P562-V589 HydrophobicContact CG-CB 4.46Å; P562-V589 HydrophobicContact CG-CG1 4.32Å; P562-V589 HydrophobicContact CG-CG2 4.43Å; E587-V589 VanDerWaalsContact C-N 3.33Å; E587-V589 HydrophobicContact CB-CG2 4.48Å; E587-V589 WeakPolarHBondContact O-CG2 3.07Å; E587-V589 PolarHBondContact O-N 3.09Å; V589-M591 HydrophobicContact CB-CG 4.26Å; V589-M591 HydrophobicContact CG1-CG 3.69Å; V589-M591 HydrophobicContact CG1-SD 4.34Å; V589-M591 PolarHBondContact O-N 2.84Å; V589-M661 HydrophobicContact CG1-CB 3.87Å; V589-M661 HydrophobicContact CG1-CG 4.5Å; V589-M661 HydrophobicContact CG1-SD 4.49Å; V589-K662 WeakPolarHBondContact CA-O 3.4Å; V589-F663 HydrophobicContact CB-CE1 4.39Å; V589-F663 HydrophobicContact CG1-CD1 4.29Å; V589-F663 HydrophobicContact CG1-CE1 3.92Å; V589-F663 HydrophobicContact CG1-CE2 4.46Å; V589-F663 HydrophobicContact CG1-CZ 4Å; V589-F663 HydrophobicContact CG2-CD1 3.75Å; V589-F663 HydrophobicContact CG2-CE1 3.53Å; V589-F663 HydrophobicContact CG2-CZ 4.39Å | ||
| 590 | L | 81.4 | Confident | 63.9 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.6 | 174.7 | -60.5 | 176.7 | 0 | 0 | 0 | 109.6 | Y592 M661 K662 P664 | L590-Y592 HydrophobicContact CB-CE2 3.75Å; L590-Y592 WeakPolarHBondContact O-CE2 3.34Å; L590-M661 CarbonylContact O-C 3.32Å; L590-M661 WeakPolarHBondContact O-CA 3.18Å; L590-K662 HydrophobicContact CB-CB 4.3Å; L590-K662 PolarHBondContact N-O 3.3Å; L590-K662 PolarHBondContact O-N 2.85Å; L590-P664 HydrophobicContact CD1-CG 3.88Å; L590-P664 HydrophobicContact CG-CG 4.14Å |
| 591 | M | 85.8 | Confident | 65.6 | Low | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.059 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.9 | -171.5 | -54.3 | 177 | 70.5 | 0 | 0 | 111.9 | W559 P562 V589 A622 E660 M661 | W559-M591 HydrophobicContact CZ2-CE 4.41Å; P562-M591 HydrophobicContact CG-CE 3.74Å; P562-M591 HydrophobicContact CG-SD 3.58Å; P562-M591 VanDerWaalsContact CG-SD 3.58Å; V589-M591 HydrophobicContact CB-CG 4.26Å; V589-M591 HydrophobicContact CG1-CG 3.69Å; V589-M591 HydrophobicContact CG1-SD 4.34Å; V589-M591 PolarHBondContact O-N 2.84Å; M591-A622 HydrophobicContact CB-CB 4.22Å; M591-A622 PolarHBondContact O-N 2.93Å; M591-E660 WeakPolarHBondContact CA-O 3.42Å; M591-M661 HydrophobicContact CE-CE 3.78Å; M591-M661 HydrophobicContact CE-CG 4.19Å; M591-M661 HydrophobicContact CE-SD 3.86Å; M591-M661 HydrophobicContact CG-CG 4.25Å |
| 592 | Y | 87.4 | Confident | 67.4 | Low | 47 Ų | 47 | 69 Ų | 69 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 119.6 | -173.9 | -54.1 | -84 | 0 | 0 | 0 | 110.7 | L590 F594 M619 L620 T621 V659 E660 K662 | L590-Y592 HydrophobicContact CB-CE2 3.75Å; L590-Y592 WeakPolarHBondContact O-CE2 3.34Å; Y592-F594 HydrophobicContact CG-CE2 4.43Å; Y592-M619 HydrophobicContact CD1-CG 4.15Å; Y592-M619 HydrophobicContact CD1-SD 3.56Å; Y592-M619 VanDerWaalsContact CD1-SD 3.56Å; Y592-M619 HydrophobicContact CE1-SD 4.08Å; Y592-M619 HydrophobicContact CG-SD 4.43Å; Y592-L620 CarbonylContact C-O 3.58Å; Y592-L620 WeakPolarHBondContact CA-O 3.14Å; Y592-T621 HydrophobicContact CD1-CG2 4.19Å; Y592-T621 HydrophobicContact CE1-CG2 4.08Å; Y592-V659 CarbonylContact O-C 3.58Å; Y592-V659 WeakPolarHBondContact O-CA 3.33Å; Y592-E660 PolarHBondContact N-O 3.07Å; Y592-E660 PolarHBondContact O-N 3.2Å; Y592-K662 HydrophobicContact CE2-CD 4Å |
| 593 | L | 90.2 | Very high | 68.8 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.3 | 168.4 | -175.4 | 157 | 0 | 0 | 0 | 109.1 | V557 W559 Y595 M619 L620 L644 L646 V657 V659 | V557-L593 HydrophobicContact CB-CD1 3.89Å; V557-L593 HydrophobicContact CG1-CD1 4.05Å; V557-L593 HydrophobicContact CG2-CD1 4.07Å; W559-L593 HydrophobicContact CH2-CD1 4.39Å; W559-L593 HydrophobicContact CZ3-CD1 3.85Å; L593-Y595 HydrophobicContact CD2-CD1 3.83Å; L593-Y595 HydrophobicContact CD2-CG 4.41Å; L593-M619 CarbonylContact O-C 3.34Å; L593-M619 WeakPolarHBondContact O-CA 3.49Å; L593-L620 PolarHBondContact N-O 2.89Å; L593-L620 PolarHBondContact O-N 3.48Å; L593-L644 HydrophobicContact CD1-CB 4.49Å; L593-L644 HydrophobicContact CD1-CD2 4.41Å; L593-L646 HydrophobicContact CD1-CD2 4.25Å; L593-L646 HydrophobicContact CD2-CD1 4.29Å; L593-L646 HydrophobicContact CD2-CD2 3.75Å; L593-V657 HydrophobicContact CD1-CG2 4.23Å; L593-V657 HydrophobicContact CD2-CG2 3.74Å; L593-V657 HydrophobicContact CG-CG2 3.89Å; L593-V659 HydrophobicContact CB-CG2 4.28Å; L593-V659 HydrophobicContact CD1-CG2 4.29Å; L593-V659 HydrophobicContact CG-CG2 4.14Å |
| 594 | F | 88.4 | Confident | 69.6 | Low | 16 Ų | 16 | 68.3 Ų | 68.3 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.4 | 178.7 | -68.9 | -88 | 0 | 0 | 0 | 110.4 | Y592 W617 R618 M619 V657 Y658 E660 | Y592-F594 HydrophobicContact CG-CE2 4.43Å; F594-W617 HydrophobicContact CB-CE3 3.92Å; F594-W617 HydrophobicContact CB-CZ3 4.46Å; F594-W617 HydrophobicContact CD1-CB 4.18Å; F594-R618 WeakPolarHBondContact CA-O 3.4Å; F594-M619 HydrophobicContact CD1-CB 4.03Å; F594-M619 HydrophobicContact CD1-CG 4.09Å; F594-M619 HydrophobicContact CE1-CB 3.88Å; F594-M619 HydrophobicContact CE1-CE 3.69Å; F594-M619 HydrophobicContact CE1-CG 3.65Å; F594-M619 HydrophobicContact CE1-SD 4.35Å; F594-M619 HydrophobicContact CZ-CE 3.94Å; F594-M619 HydrophobicContact CZ-CG 3.93Å; F594-M619 HydrophobicContact CZ-SD 4.36Å; F594-V657 VanDerWaalsContact O-CA 3.3Å; F594-V657 WeakPolarHBondContact O-CA 3.47Å; F594-Y658 HydrophobicContact CB-CD1 3.75Å; F594-Y658 HydrophobicContact CB-CE1 3.37Å; F594-Y658 HydrophobicContact CB-CE2 4.23Å; F594-Y658 HydrophobicContact CB-CG 4.32Å; F594-Y658 HydrophobicContact CD2-CD2 4.31Å; F594-Y658 HydrophobicContact CD2-CE1 4.34Å; F594-Y658 AromaticContact CD2-CE2 3.7Å; F594-Y658 HydrophobicContact CD2-CE2 3.7Å; F594-Y658 AromaticContact CD2-CZ 3.7Å; F594-Y658 HydrophobicContact CE2-CE2 4.35Å; F594-Y658 AromaticContact CG-CE1 3.97Å; F594-Y658 HydrophobicContact CG-CE1 3.97Å; F594-Y658 HydrophobicContact CG-CE2 4.16Å; F594-Y658 AromaticContact CG-CZ 3.68Å; F594-Y658 PolarHBondContact N-O 2.81Å; F594-Y658 PolarHBondContact O-N 3.11Å; F594-E660 HydrophobicContact CD2-CG 4.07Å; F594-E660 HydrophobicContact CE2-CB 4.18Å; F594-E660 HydrophobicContact CE2-CG 3.72Å |
| 595 | Y | 90.1 | Very high | 69.9 | Low | 18 Ų | 18 | 66.1 Ų | 66.1 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.8 | 175.4 | 75.6 | -73.6 | 0 | 0 | 0 | 112.9 | L593 R618 L620 L646 L649 Y655 V656 | L593-Y595 HydrophobicContact CD2-CD1 3.83Å; L593-Y595 HydrophobicContact CD2-CG 4.41Å; Y595-R618 HydrophobicContact CD1-CB 3.84Å; Y595-R618 WeakPolarHBondContact CD1-O 3.38Å; Y595-R618 HydrophobicContact CE1-CB 3.49Å; Y595-R618 VanDerWaalsContact CE1-CB 3.49Å; Y595-R618 HydrophobicContact CE1-CG 4.49Å; Y595-R618 HydrophobicContact CE2-CB 4.34Å; Y595-R618 HydrophobicContact CG-CB 4.4Å; Y595-R618 PolarHBondContact N-O 2.85Å; Y595-R618 WeakPolarHBondContact O-CB 3.3Å; Y595-R618 PolarHBondContact O-N 3.31Å; Y595-R618 WeakPolarHBondContact OH-CD 3.21Å; Y595-L620 HydrophobicContact CE1-CD1 3.95Å; Y595-L620 HydrophobicContact CE1-CG 4.18Å; Y595-L646 HydrophobicContact CD1-CD1 4.26Å; Y595-L646 HydrophobicContact CD1-CD2 4.25Å; Y595-L646 HydrophobicContact CD2-CD1 4.12Å; Y595-L646 HydrophobicContact CE1-CD2 4.2Å; Y595-L646 HydrophobicContact CG-CD1 3.97Å; Y595-L649 HydrophobicContact CD2-CD2 4.12Å; Y595-L649 HydrophobicContact CE2-CD2 3.56Å; Y595-Y655 HydrophobicContact CD2-CD1 4.16Å; Y595-Y655 HydrophobicContact CD2-CE1 4.39Å; Y595-V656 VanDerWaalsContact CA-O 3.24Å; Y595-V656 WeakPolarHBondContact CA-O 3.46Å; Y595-V656 WeakPolarHBondContact CB-O 3.26Å |
| 596 | Q | 87.2 | Confident | 70.3 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 159.9 | 172.3 | 65.7 | 176.5 | 15.5 | 0 | 0 | 111.2 | A598 S616 W617 Y655 V656 | Q596-A598 PolarHBondContact O-N 3.4Å; Q596-S616 PolarHBondContact OE1-O 2.92Å; Q596-S616 PolarHBondContact OE1-OG 2.9Å; Q596-W617 HydrophobicContact CB-CD2 4.47Å; Q596-W617 HydrophobicContact CB-CE3 4.25Å; Q596-W617 VanDerWaalsContact CD-CE2 3.5Å; Q596-W617 HydrophobicContact CG-CD2 3.92Å; Q596-W617 HydrophobicContact CG-CE3 3.78Å; Q596-W617 HydrophobicContact CG-CH2 4.14Å; Q596-W617 HydrophobicContact CG-CZ2 4.24Å; Q596-W617 HydrophobicContact CG-CZ3 3.9Å; Q596-Y655 WeakPolarHBondContact O-CA 3.46Å; Q596-Y655 WeakPolarHBondContact O-CD1 3.45Å; Q596-V656 HydrophobicContact CG-CG1 3.84Å; Q596-V656 PolarHBondContact N-O 3.26Å; Q596-V656 VanDerWaalsContact N-O 3.14Å; Q596-V656 PolarHBondContact O-N 2.83Å |
| 597 | P | 85.4 | Confident | 70.2 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 21% | 0.214 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 136.7 | 165.7 | -22.3 | 33.8 | 0 | 0 | 0 | 110.8 | T653 R654 Y655 | P597-T653 HydrophobicContact CB-CG2 4.37Å; P597-R654 CarbonylContact C-O 3.53Å; P597-R654 WeakPolarHBondContact CA-O 3.49Å; P597-Y655 HydrophobicContact CB-CE1 4.43Å; P597-Y655 HydrophobicContact CG-CD1 4.32Å; P597-Y655 HydrophobicContact CG-CE1 3.79Å |
| 598 | A | 79.6 | Confident | 69.7 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | trans | -134.6 | 71.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q596 K600 R654 V656 Y676 | Q596-A598 PolarHBondContact O-N 3.4Å; A598-K600 PolarHBondContact O-N 2.86Å; A598-R654 PolarHBondContact N-O 2.92Å; A598-R654 WeakPolarHBondContact O-CD 3.37Å; A598-R654 WeakPolarHBondContact O-CG 3.37Å; A598-V656 HydrophobicContact CB-CB 3.68Å; A598-V656 HydrophobicContact CB-CG1 3.74Å; A598-Y676 HydrophobicContact CB-CD1 3.96Å; A598-Y676 HydrophobicContact CB-CE1 3.86Å | ||
| 599 | P | 71 | Confident | 68.9 | Low | 87 Ų | 87 | 61 Ų | 61 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -63 | -18.6 | 177.7 | 25 | -35.3 | 0 | 0 | 0 | 114 | ||
| 600 | K | 68.9 | Low | 67.7 | Low | 94 Ų | 94 | 63.1 Ų | 63.1 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -129.8 | 159.1 | 168.3 | -78.8 | -169.9 | -177.8 | -164.7 | 0 | 111.3 | A598 I602 D842 S844 | A598-K600 PolarHBondContact O-N 2.86Å; K600-I602 PolarHBondContact O-N 2.82Å; K600-D842 WeakPolarHBondContact CE-OD1 3.47Å; K600-D842 IonicContact NZ-OD1 3.65Å; K600-D842 PolarHBondContact NZ-OD1 2.88Å; K600-S844 VanDerWaalsContact CD-OG 3.22Å; K600-S844 WeakPolarHBondContact CD-OG 3.38Å; K600-S844 VanDerWaalsContact CE-OG 3.28Å; K600-S844 WeakPolarHBondContact CE-OG 3.28Å; K600-S844 WeakPolarHBondContact CG-OG 3.23Å |
| 601 | D | 68.8 | Low | 65.8 | Low | 110 Ų | 110 | 62.4 Ų | 62.4 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 130.3 | 170.1 | -66.7 | 1 | 0 | 0 | 0 | 109.7 | R654 | D601-R654 IonicContact OD1-CZ 3.73Å; D601-R654 IonicContact OD1-NH1 3.87Å; D601-R654 PolarHBondContact OD1-NH1 3.04Å; D601-R654 IonicContact OD1-NH2 2.73Å; D601-R654 PolarHBondContact OD1-NH2 3.11Å |
| 602 | I | 65.2 | Low | 63.7 | Low | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.205 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 129.3 | -175.9 | -62.3 | -179.3 | 0 | 0 | 0 | 109.4 | K600 V606 W617 V656 Y676 | K600-I602 PolarHBondContact O-N 2.82Å; I602-V606 HydrophobicContact CG2-CB 3.56Å; I602-V606 HydrophobicContact CG2-CG1 3.79Å; I602-V606 HydrophobicContact CG2-CG2 3.62Å; I602-W617 HydrophobicContact CD1-CH2 4.02Å; I602-W617 HydrophobicContact CD1-CZ2 3.85Å; I602-V656 HydrophobicContact CD1-CG1 3.89Å; I602-Y676 PolarHBondContact N-OH 3.21Å |
| 603 | P | 55.5 | Low | 61.6 | Low | 88 Ų | 88 | 68.7 Ų | 68.7 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 148.6 | -174.6 | -27.8 | 35.1 | 0 | 0 | 0 | 114.5 | I605 V606 | P603-I605 PolarHBondContact O-N 2.64Å; P603-V606 HydrophobicContact CB-CG2 4.48Å; P603-V606 WeakPolarHBondContact O-CB 3.37Å; P603-V606 WeakPolarHBondContact O-CG2 3.35Å; P603-V606 PolarHBondContact O-N 2.94Å |
| 604 | N | 44.8 | Very low | 59.5 | Low | 117 Ų | 117 | 77.8 Ų | 77.8 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -55.8 | -26.8 | 179.9 | -87 | -46.6 | 0 | 0 | 0 | 114.3 | V606 K607 | N604-V606 PolarHBondContact O-N 3.23Å; N604-K607 VanDerWaalsContact O-CB 3.24Å; N604-K607 WeakPolarHBondContact O-CB 3.13Å; N604-K607 WeakPolarHBondContact O-CG 3.35Å; N604-K607 PolarHBondContact O-N 2.94Å; N604-K607 WeakPolarHBondContact OD1-CE 3.26Å; N604-K607 PolarHBondContact OD1-NZ 2.79Å |
| 605 | I | 39.8 | Very low | 57.4 | Low | 152 Ų | 152 | 83.6 Ų | 83.6 | 78% | 0.779 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -63 | -23.6 | 175.8 | -67.8 | 170.2 | 0 | 0 | 0 | 111.9 | P603 K607 | P603-I605 PolarHBondContact O-N 2.64Å; I605-K607 PolarHBondContact O-N 3.42Å |
| 606 | V | 43.3 | Very low | 55.9 | Low | 40 Ų | 40 | 84.9 Ų | 84.9 | 24% | 0.242 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -80.5 | 7 | 176.2 | -162.7 | 0 | 0 | 0 | 0 | 112 | I602 P603 N604 D608 | I602-V606 HydrophobicContact CG2-CB 3.56Å; I602-V606 HydrophobicContact CG2-CG1 3.79Å; I602-V606 HydrophobicContact CG2-CG2 3.62Å; P603-V606 HydrophobicContact CB-CG2 4.48Å; P603-V606 WeakPolarHBondContact O-CB 3.37Å; P603-V606 WeakPolarHBondContact O-CG2 3.35Å; P603-V606 PolarHBondContact O-N 2.94Å; N604-V606 PolarHBondContact O-N 3.23Å; V606-D608 PolarHBondContact O-N 3.31Å |
| 607 | K | 42.6 | Very low | 54.9 | Low | 128 Ų | 128 | 85.1 Ų | 85.1 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -68.1 | -18.7 | 170.5 | -76.7 | 174 | 168.1 | 167.9 | 0 | 113 | N604 I605 R609 | N604-K607 VanDerWaalsContact O-CB 3.24Å; N604-K607 WeakPolarHBondContact O-CB 3.13Å; N604-K607 WeakPolarHBondContact O-CG 3.35Å; N604-K607 PolarHBondContact O-N 2.94Å; N604-K607 WeakPolarHBondContact OD1-CE 3.26Å; N604-K607 PolarHBondContact OD1-NZ 2.79Å; I605-K607 PolarHBondContact O-N 3.42Å; K607-R609 WeakPolarHBondContact O-CD 3.16Å; K607-R609 WeakPolarHBondContact O-CG 3.33Å; K607-R609 PolarHBondContact O-N 3.11Å |
| 608 | D | 45.8 | Very low | 54.7 | Low | 121 Ų | 121 | 88.3 Ų | 88.3 | 65% | 0.647 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -78.4 | 67.2 | 164.8 | -65.9 | -50.2 | 0 | 0 | 0 | 110.9 | V606 R610 | V606-D608 PolarHBondContact O-N 3.31Å; D608-R610 PolarHBondContact O-N 3.11Å |
| 609 | R | 49.4 | Very low | 54.7 | Low | 57 Ų | 57 | 92.9 Ų | 92.9 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 120.2 | -170.2 | -67.7 | 139.6 | 168.5 | -141.5 | -18.3 | 112.6 | K607 V671 S672 | K607-R609 WeakPolarHBondContact O-CD 3.16Å; K607-R609 WeakPolarHBondContact O-CG 3.33Å; K607-R609 PolarHBondContact O-N 3.11Å; R609-V671 VanDerWaalsContact NH1-CG1 3.34Å; R609-S672 PolarHBondContact NH1-O 3.36Å; R609-S672 PolarHBondContact NH2-O 3.07Å |
| 610 | R | 50.9 | Low | 55.4 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.1 | 20.4 | 174.5 | -67.9 | 165.4 | -99.4 | 160.4 | -17.3 | 117.7 | R465 W540 D608 E660 | R465-R610 PolarHBondContact NH1-O 3.05Å; W540-R610 VanDerWaalsContact CZ3-NH2 3.26Å; D608-R610 PolarHBondContact O-N 3.11Å; R610-E660 WeakPolarHBondContact CD-OE2 3.44Å; R610-E660 IonicContact CZ-OE1 2.71Å; R610-E660 IonicContact CZ-OE2 3.72Å; R610-E660 VanDerWaalsContact CZ-OE2 3.28Å; R610-E660 VanDerWaalsContact NE-CD 3.27Å; R610-E660 IonicContact NE-OE1 3.93Å; R610-E660 PolarHBondContact NE-OE1 3.09Å; R610-E660 IonicContact NE-OE2 2.71Å; R610-E660 PolarHBondContact NE-OE2 3.02Å; R610-E660 VanDerWaalsContact NE-OE2 3.11Å; R610-E660 IonicContact NH1-OE2 3.72Å; R610-E660 VanDerWaalsContact NH2-CD 3.3Å; R610-E660 IonicContact NH2-OE1 2.81Å; R610-E660 PolarHBondContact NH2-OE1 3.41Å; R610-E660 IonicContact NH2-OE2 2.59Å; R610-E660 PolarHBondContact NH2-OE2 3.39Å |
| 611 | A | 41.2 | Very low | 56 | Low | 45 Ų | 45 | 92.8 Ų | 92.8 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | trans | -94.5 | -17.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 612 | Y | 41.7 | Very low | 56.5 | Low | 120 Ų | 120 | 88.4 Ų | 88.4 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -79.3 | 159.5 | 177.1 | -122.9 | -107.1 | 0 | 0 | 0 | 112.2 | E402 K614 | E402-Y612 VanDerWaalsContact CD-CZ 3.5Å; E402-Y612 HydrophobicContact CG-CE2 4.38Å; E402-Y612 VanDerWaalsContact OE1-CE2 3.29Å; E402-Y612 WeakPolarHBondContact OE1-CE2 3.41Å; E402-Y612 VanDerWaalsContact OE1-CZ 3.29Å; E402-Y612 WeakPolarHBondContact OE2-CE2 3.32Å; E402-Y612 PolarHBondContact OE2-OH 2.95Å; Y612-K614 PolarHBondContact O-N 3.43Å |
| 613 | D | 42.7 | Very low | 56.9 | Low | 71 Ų | 71 | 90.7 Ų | 90.7 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | trans | -52.8 | 130 | -170.2 | -167.3 | -0.4 | 0 | 0 | 0 | 113.4 | N615 S616 | D613-N615 VanDerWaalsContact CG-ND2 3.32Å; D613-N615 PolarHBondContact O-N 2.96Å; D613-N615 VanDerWaalsContact O-N 3.11Å; D613-N615 PolarHBondContact OD1-N 2.56Å; D613-N615 PolarHBondContact OD1-ND2 3.41Å; D613-N615 WeakPolarHBondContact OD2-CB 3.46Å; D613-N615 PolarHBondContact OD2-ND2 3.19Å; D613-S616 PolarHBondContact O-N 3.45Å; D613-S616 VanDerWaalsContact O-N 3.17Å; D613-S616 PolarHBondContact O-OG 3.02Å | ||
| 614 | K | 46.3 | Very low | 57.7 | Low | 191 Ų | 191 | 87.4 Ų | 87.4 | 83% | 0.83 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.4 | 171.6 | -82.9 | -175.9 | 173.8 | 179.8 | 0 | 112.4 | Y612 | Y612-K614 PolarHBondContact O-N 3.43Š|
| 615 | N | 45.1 | Very low | 58.3 | Low | 138 Ų | 138 | 88.7 Ų | 88.7 | 74% | 0.738 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -16.7 | 179.8 | -50 | -51 | 0 | 0 | 0 | 114.3 | D613 | D613-N615 VanDerWaalsContact CG-ND2 3.32Å; D613-N615 PolarHBondContact O-N 2.96Å; D613-N615 VanDerWaalsContact O-N 3.11Å; D613-N615 PolarHBondContact OD1-N 2.56Å; D613-N615 PolarHBondContact OD1-ND2 3.41Å; D613-N615 WeakPolarHBondContact OD2-CB 3.46Å; D613-N615 PolarHBondContact OD2-ND2 3.19Å |
| 616 | S | 57.6 | Low | 58.9 | Low | 45 Ų | 45 | 86.9 Ų | 86.9 | 32% | 0.315 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -39.8 | -179.2 | 84.2 | 0 | 0 | 0 | 0 | 112.6 | Q596 D613 | Q596-S616 PolarHBondContact OE1-O 2.92Å; Q596-S616 PolarHBondContact OE1-OG 2.9Å; D613-S616 PolarHBondContact O-N 3.45Å; D613-S616 VanDerWaalsContact O-N 3.17Å; D613-S616 PolarHBondContact O-OG 3.02Å |
| 617 | W | 67.3 | Low | 58.7 | Low | 30 Ų | 30 | 88.5 Ų | 88.5 | 11% | 0.114 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -83.4 | 116 | 179.4 | -70.7 | 89.7 | 0 | 0 | 0 | 111.2 | F594 Q596 I602 M619 V656 Y658 L674 | F594-W617 HydrophobicContact CB-CE3 3.92Å; F594-W617 HydrophobicContact CB-CZ3 4.46Å; F594-W617 HydrophobicContact CD1-CB 4.18Å; Q596-W617 HydrophobicContact CB-CD2 4.47Å; Q596-W617 HydrophobicContact CB-CE3 4.25Å; Q596-W617 VanDerWaalsContact CD-CE2 3.5Å; Q596-W617 HydrophobicContact CG-CD2 3.92Å; Q596-W617 HydrophobicContact CG-CE3 3.78Å; Q596-W617 HydrophobicContact CG-CH2 4.14Å; Q596-W617 HydrophobicContact CG-CZ2 4.24Å; Q596-W617 HydrophobicContact CG-CZ3 3.9Å; I602-W617 HydrophobicContact CD1-CH2 4.02Å; I602-W617 HydrophobicContact CD1-CZ2 3.85Å; W617-M619 PolarHBondContact O-N 3.32Å; W617-V656 HydrophobicContact CH2-CG1 3.49Å; W617-V656 VanDerWaalsContact CH2-CG1 3.49Å; W617-V656 HydrophobicContact CZ2-CG1 4.47Å; W617-V656 HydrophobicContact CZ3-CG1 3.68Å; W617-Y658 HydrophobicContact CD2-CE1 4.13Å; W617-Y658 HydrophobicContact CE3-CD1 4.21Å; W617-Y658 AromaticContact CE3-CE1 3.7Å; W617-Y658 HydrophobicContact CE3-CE1 3.7Å; W617-Y658 AromaticContact CH2-CD1 3.83Å; W617-Y658 HydrophobicContact CH2-CD1 3.83Å; W617-Y658 AromaticContact CH2-CE1 3.66Å; W617-Y658 HydrophobicContact CH2-CE1 3.66Å; W617-Y658 HydrophobicContact CZ2-CE1 4.11Å; W617-Y658 AromaticContact CZ3-CD1 3.57Å; W617-Y658 HydrophobicContact CZ3-CD1 3.57Å; W617-Y658 AromaticContact CZ3-CE1 3.44Å; W617-Y658 HydrophobicContact CZ3-CE1 3.44Å; W617-Y658 VanDerWaalsContact CZ3-CE1 3.44Å; W617-L674 HydrophobicContact CH2-CD2 4.01Å |
| 618 | R | 80.8 | Confident | 58.4 | Low | 99 Ų | 99 | 87.8 Ų | 87.8 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 113.3 | 170 | -59.2 | -177.6 | -173.1 | 172.2 | 8.4 | 108.2 | F594 Y595 E650 | F594-R618 WeakPolarHBondContact CA-O 3.4Å; Y595-R618 HydrophobicContact CD1-CB 3.84Å; Y595-R618 WeakPolarHBondContact CD1-O 3.38Å; Y595-R618 HydrophobicContact CE1-CB 3.49Å; Y595-R618 VanDerWaalsContact CE1-CB 3.49Å; Y595-R618 HydrophobicContact CE1-CG 4.49Å; Y595-R618 HydrophobicContact CE2-CB 4.34Å; Y595-R618 HydrophobicContact CG-CB 4.4Å; Y595-R618 PolarHBondContact N-O 2.85Å; Y595-R618 WeakPolarHBondContact O-CB 3.3Å; Y595-R618 PolarHBondContact O-N 3.31Å; Y595-R618 WeakPolarHBondContact OH-CD 3.21Å; R618-E650 IonicContact NH2-OE1 3.95Å; R618-E650 PolarHBondContact NH2-OE1 2.9Å |
| 619 | M | 80.1 | Confident | 58.1 | Low | 100 Ų | 100 | 84.1 Ų | 84.1 | 49% | 0.493 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.3 | 176.5 | -172.6 | -158.3 | -56.6 | 0 | 0 | 110.1 | Y592 L593 F594 W617 | Y592-M619 HydrophobicContact CD1-CG 4.15Å; Y592-M619 HydrophobicContact CD1-SD 3.56Å; Y592-M619 VanDerWaalsContact CD1-SD 3.56Å; Y592-M619 HydrophobicContact CE1-SD 4.08Å; Y592-M619 HydrophobicContact CG-SD 4.43Å; L593-M619 CarbonylContact O-C 3.34Å; L593-M619 WeakPolarHBondContact O-CA 3.49Å; F594-M619 HydrophobicContact CD1-CB 4.03Å; F594-M619 HydrophobicContact CD1-CG 4.09Å; F594-M619 HydrophobicContact CE1-CB 3.88Å; F594-M619 HydrophobicContact CE1-CE 3.69Å; F594-M619 HydrophobicContact CE1-CG 3.65Å; F594-M619 HydrophobicContact CE1-SD 4.35Å; F594-M619 HydrophobicContact CZ-CE 3.94Å; F594-M619 HydrophobicContact CZ-CG 3.93Å; F594-M619 HydrophobicContact CZ-SD 4.36Å; W617-M619 PolarHBondContact O-N 3.32Å |
| 620 | L | 85.1 | Confident | 57.7 | Low | 63 Ų | 63 | 88.5 Ų | 88.5 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.1 | 167.8 | -61.1 | 175.5 | 0 | 0 | 0 | 108.8 | Y592 L593 Y595 L644 L646 | Y592-L620 CarbonylContact C-O 3.58Å; Y592-L620 WeakPolarHBondContact CA-O 3.14Å; L593-L620 PolarHBondContact N-O 2.89Å; L593-L620 PolarHBondContact O-N 3.48Å; Y595-L620 HydrophobicContact CE1-CD1 3.95Å; Y595-L620 HydrophobicContact CE1-CG 4.18Å; L620-L644 HydrophobicContact CB-CD2 4.09Å; L620-L644 HydrophobicContact CD1-CD2 3.82Å; L620-L646 HydrophobicContact CD1-CD2 3.57Å |
| 621 | T | 81.9 | Confident | 57 | Low | 115 Ų | 115 | 92.2 Ų | 92.2 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.1 | 165.3 | 45.5 | 0 | 0 | 0 | 0 | 108.9 | Y592 | Y592-T621 HydrophobicContact CD1-CG2 4.19Å; Y592-T621 HydrophobicContact CE1-CG2 4.08Å |
| 622 | A | 79.1 | Confident | 56.8 | Low | 18 Ų | 18 | 96 Ų | 96 | 15% | 0.149 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 150.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W559 M591 | W559-A622 HydrophobicContact CH2-CB 3.93Å; W559-A622 HydrophobicContact CZ2-CB 3.74Å; M591-A622 HydrophobicContact CB-CB 4.22Å; M591-A622 PolarHBondContact O-N 2.93Å |
| 623 | S | 74.1 | Confident | 56.4 | Low | 88 Ų | 88 | 95.5 Ų | 95.5 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | trans | -118.1 | 162 | 162 | -166 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 624 | C | 73 | Confident | 56 | Low | 19 Ų | 19 | 100.9 Ų | 100.9 | 13% | 0.128 | 56% | 0.561 | C | S | . | * | trans | -103.1 | 113.6 | 159.8 | -60.4 | 0 | 0 | 0 | 0 | 106.2 | Y561 C642 | Y561-C624 HydrophobicContact CD2-CB 4.02Å; Y561-C624 HydrophobicContact CE2-CB 3.62Å; C624-C642 HydrophobicContact CB-CB 3.92Å; C624-C642 WeakPolarHBondContact CB-SG 3.25Å; C624-C642 WeakPolarHBondContact SG-CB 3.32Å; C624-C642 CovalentContact SG-SG 2.03Å; C624-C642 PolarHBondContact SG-SG 2.9Å | ||
| 625 | D | 57.3 | Low | 55.5 | Low | 145 Ų | 145 | 98.4 Ų | 98.4 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | trans | -61.6 | 145.4 | 176.5 | -60 | -39.3 | 0 | 0 | 0 | 110 | ||||
| 626 | S | 51.4 | Low | 54.9 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 79% | 0.79 | 55% | 0.551 | S | S | * | * | trans | -53.5 | 146.4 | -173.4 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 627 | N | 39.9 | Very low | 54.2 | Low | 74 Ų | 74 | 103.2 Ų | 103.2 | 40% | 0.396 | 58% | 0.577 | S | S | . | * | trans | -39.9 | 130.9 | -172.2 | -76.2 | -32.5 | 0 | 0 | 0 | 114.3 | G629 L640 | N627-G629 PolarHBondContact O-N 3.05Å; N627-L640 WeakPolarHBondContact OD1-CD2 3.08Å | ||
| 628 | P | 36.6 | Very low | 53.2 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 17.8 | 167 | -22.1 | 34.3 | 0 | 0 | 0 | 115.4 | ||
| 629 | G | 38.4 | Very low | 51.9 | Low | 44 Ų | 44 | 110.2 Ų | 110.2 | 45% | 0.454 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -26.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N627 N631 I632 | N627-G629 PolarHBondContact O-N 3.05Å; G629-N631 PolarHBondContact O-N 3.29Å; G629-I632 PolarHBondContact O-N 3.03Å |
| 630 | D | 40.9 | Very low | 51.1 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 80% | 0.802 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 1.6 | -165.8 | -70 | -5.6 | 0 | 0 | 0 | 115.5 | ||
| 631 | N | 36.8 | Very low | 50.8 | Low | 156 Ų | 156 | 110.3 Ų | 110.3 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.3 | 16.1 | 179.4 | -83.1 | -81.8 | 0 | 0 | 0 | 115.2 | G629 | G629-N631 PolarHBondContact O-N 3.29Š|
| 632 | I | 37.3 | Very low | 50.9 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 64% | 0.641 | 59% | 0.585 | S | S | * | * | trans | -130.6 | 108.8 | 177.9 | -53.8 | -179.1 | 0 | 0 | 0 | 111.3 | G629 | G629-I632 PolarHBondContact O-N 3.03Š| ||
| 633 | P | 33.2 | Very low | 51.2 | Low | 109 Ų | 109 | 105.6 Ų | 105.6 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | trans | -70.3 | 144.9 | 169.8 | -15.6 | 30.3 | 0 | 0 | 0 | 112.5 | ||||
| 634 | E | 34.4 | Very low | 51.9 | Low | 184 Ų | 184 | 104 Ų | 104 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | 55.6 | 73 | 154.2 | -58 | -172.3 | 170.3 | 0 | 0 | 118.3 | ||||
| 635 | L | 35 | Very low | 52.7 | Low | 139 Ų | 139 | 105.1 Ų | 105.1 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | trans | -147.2 | 103 | 153.4 | -109.2 | 144.9 | 0 | 0 | 0 | 111.5 | ||||
| 636 | P | 33.5 | Very low | 54.3 | Low | 98 Ų | 98 | 98.3 Ų | 98.3 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 162.1 | 169.1 | 29.9 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 637 | H | 42.6 | Very low | 56.1 | Low | 185 Ų | 185 | 99.5 Ų | 99.5 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 17.3 | -179.3 | -42.7 | -69.5 | 0 | 0 | 0 | 117.6 | E639 | H637-E639 PolarHBondContact O-N 3.11Š|
| 638 | L | 45.2 | Very low | 58.2 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | trans | -73.1 | 106.8 | 164.4 | -134.9 | 76.8 | 0 | 0 | 0 | 110 | L640 | L638-L640 PolarHBondContact O-N 3.4Š| ||
| 639 | E | 53.5 | Low | 60.7 | Low | 139 Ų | 139 | 99.6 Ų | 99.6 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | trans | -69.8 | 115.7 | 173.3 | -67.6 | -171 | 139.5 | 0 | 0 | 110.3 | H637 Y641 | H637-E639 PolarHBondContact O-N 3.11Å; E639-Y641 HydrophobicContact CB-CD2 3.97Å; E639-Y641 HydrophobicContact CB-CE2 3.4Å; E639-Y641 VanDerWaalsContact CD-OH 3.32Å; E639-Y641 HydrophobicContact CG-CE2 4.29Å; E639-Y641 WeakPolarHBondContact O-CD2 3.32Å; E639-Y641 PolarHBondContact O-N 3.17Å; E639-Y641 WeakPolarHBondContact OE2-CE2 3.37Å; E639-Y641 VanDerWaalsContact OE2-CZ 3.23Å; E639-Y641 PolarHBondContact OE2-OH 3.32Å | ||
| 640 | L | 64.3 | Low | 62.9 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | trans | -72.4 | 112.5 | 175.6 | -82.1 | 72.5 | 0 | 0 | 0 | 110.7 | Y561 N627 L638 | Y561-L640 WeakPolarHBondContact CB-O 3.42Å; Y561-L640 HydrophobicContact CD2-CB 4.42Å; Y561-L640 HydrophobicContact CD2-CD2 4.26Å; Y561-L640 HydrophobicContact CG-CB 4.24Å; Y561-L640 HydrophobicContact CG-CD2 4.24Å; Y561-L640 PolarHBondContact N-O 2.71Å; Y561-L640 VanDerWaalsContact N-O 3.16Å; N627-L640 WeakPolarHBondContact OD1-CD2 3.08Å; L638-L640 PolarHBondContact O-N 3.4Å | ||
| 641 | Y | 77.5 | Confident | 64.9 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 33% | 0.333 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.9 | 169.3 | -64.6 | -84.7 | 0 | 0 | 0 | 110.8 | K546 I558 W559 E639 | K546-Y641 PolarHBondContact NZ-OH 3.04Å; I558-Y641 HydrophobicContact CG2-CD1 3.93Å; I558-Y641 HydrophobicContact CG2-CG 3.88Å; W559-Y641 CarbonylContact O-C 3.23Å; W559-Y641 WeakPolarHBondContact O-CA 3.16Å; E639-Y641 HydrophobicContact CB-CD2 3.97Å; E639-Y641 HydrophobicContact CB-CE2 3.4Å; E639-Y641 VanDerWaalsContact CD-OH 3.32Å; E639-Y641 HydrophobicContact CG-CE2 4.29Å; E639-Y641 WeakPolarHBondContact O-CD2 3.32Å; E639-Y641 PolarHBondContact O-N 3.17Å; E639-Y641 WeakPolarHBondContact OE2-CE2 3.37Å; E639-Y641 VanDerWaalsContact OE2-CZ 3.23Å; E639-Y641 PolarHBondContact OE2-OH 3.32Å |
| 642 | C | 84.3 | Confident | 67 | Low | 10 Ų | 10 | 89.9 Ų | 89.9 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 161.1 | 163.3 | -35.6 | 0 | 0 | 0 | 0 | 109.3 | I558 W559 Y561 C624 | I558-C642 WeakPolarHBondContact CA-O 3.35Å; W559-C642 HydrophobicContact CZ2-CB 4.08Å; W559-C642 PolarHBondContact N-O 3.26Å; W559-C642 PolarHBondContact O-N 2.76Å; Y561-C642 VanDerWaalsContact CD2-SG 3.56Å; C624-C642 HydrophobicContact CB-CB 3.92Å; C624-C642 WeakPolarHBondContact CB-SG 3.25Å; C624-C642 WeakPolarHBondContact SG-CB 3.32Å; C624-C642 CovalentContact SG-SG 2.03Å; C624-C642 PolarHBondContact SG-SG 2.9Å |
| 643 | G | 85.4 | Confident | 69.2 | Low | 24 Ų | 24 | 85.5 Ų | 85.5 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 137.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R556 V557 | R556-G643 PolarHBondContact NH2-O 2.95Å; V557-G643 CarbonylContact O-C 3.59Å; V557-G643 WeakPolarHBondContact O-CA 3.13Å |
| 644 | L | 89.5 | Confident | 71.9 | Confident | 56 Ų | 56 | 84 Ų | 84 | 29% | 0.293 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.1 | -175.5 | -177.9 | 64.6 | 0 | 0 | 0 | 110.7 | V557 W559 L593 L620 | V557-L644 PolarHBondContact N-O 2.78Å; V557-L644 PolarHBondContact O-N 2.95Å; W559-L644 HydrophobicContact CH2-CB 3.7Å; W559-L644 HydrophobicContact CZ3-CB 4.02Å; L593-L644 HydrophobicContact CD1-CB 4.49Å; L593-L644 HydrophobicContact CD1-CD2 4.41Å; L620-L644 HydrophobicContact CB-CD2 4.09Å; L620-L644 HydrophobicContact CD1-CD2 3.82Å |
| 645 | T | 89.8 | Confident | 74.6 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.9 | 172.5 | -52 | 0 | 0 | 0 | 0 | 109.7 | V555 R556 F647 | V555-T645 CarbonylContact O-C 3.6Å; R556-T645 HydrophobicContact CB-CG2 4.49Å; T645-F647 HydrophobicContact CG2-CD1 4.22Å; T645-F647 HydrophobicContact CG2-CD2 4.23Å; T645-F647 HydrophobicContact CG2-CE1 3.7Å; T645-F647 HydrophobicContact CG2-CE2 3.72Å; T645-F647 HydrophobicContact CG2-CG 4.48Å; T645-F647 HydrophobicContact CG2-CZ 3.43Å; T645-F647 VanDerWaalsContact CG2-CZ 3.43Å; T645-F647 VanDerWaalsContact O-CD2 3.26Å; T645-F647 WeakPolarHBondContact O-CD2 3.42Å; T645-F647 WeakPolarHBondContact O-CE2 3.26Å |
| 646 | L | 90.7 | Very high | 77.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.5 | 168.3 | -52.7 | -177.7 | 0 | 0 | 0 | 108.6 | S554 V555 V557 L593 Y595 L620 L649 | S554-L646 WeakPolarHBondContact CA-O 3.5Å; S554-L646 WeakPolarHBondContact CB-O 3.35Å; V555-L646 HydrophobicContact CG1-CB 4.34Å; V555-L646 HydrophobicContact CG1-CD1 4.08Å; V555-L646 HydrophobicContact CG1-CG 4.39Å; V555-L646 PolarHBondContact N-O 3.04Å; V555-L646 VanDerWaalsContact N-O 3.13Å; V555-L646 PolarHBondContact O-N 2.94Å; V557-L646 HydrophobicContact CG2-CD1 3.97Å; V557-L646 HydrophobicContact CG2-CG 4.13Å; L593-L646 HydrophobicContact CD1-CD2 4.25Å; L593-L646 HydrophobicContact CD2-CD1 4.29Å; L593-L646 HydrophobicContact CD2-CD2 3.75Å; Y595-L646 HydrophobicContact CD1-CD1 4.26Å; Y595-L646 HydrophobicContact CD1-CD2 4.25Å; Y595-L646 HydrophobicContact CD2-CD1 4.12Å; Y595-L646 HydrophobicContact CE1-CD2 4.2Å; Y595-L646 HydrophobicContact CG-CD1 3.97Å; L620-L646 HydrophobicContact CD1-CD2 3.57Å; L646-L649 HydrophobicContact CB-CD1 4.32Å; L646-L649 HydrophobicContact CB-CD2 4.28Å; L646-L649 HydrophobicContact CB-CG 4.49Å |
| 647 | F | 88.4 | Confident | 79.9 | Confident | 137 Ų | 137 | 64 Ų | 64 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | trans | -125.3 | 168.9 | 176.9 | -61.5 | -83.6 | 0 | 0 | 0 | 110 | H553 T645 L649 | H553-F647 CarbonylContact O-C 3.57Å; T645-F647 HydrophobicContact CG2-CD1 4.22Å; T645-F647 HydrophobicContact CG2-CD2 4.23Å; T645-F647 HydrophobicContact CG2-CE1 3.7Å; T645-F647 HydrophobicContact CG2-CE2 3.72Å; T645-F647 HydrophobicContact CG2-CG 4.48Å; T645-F647 HydrophobicContact CG2-CZ 3.43Å; T645-F647 VanDerWaalsContact CG2-CZ 3.43Å; T645-F647 VanDerWaalsContact O-CD2 3.26Å; T645-F647 WeakPolarHBondContact O-CD2 3.42Å; T645-F647 WeakPolarHBondContact O-CE2 3.26Å; F647-L649 PolarHBondContact O-N 3.17Å | ||
| 648 | K | 85.2 | Confident | 82.2 | Confident | 187 Ų | 187 | 55.8 Ų | 55.8 | 81% | 0.813 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 57.5 | 37.9 | -179.2 | -53.3 | -179.6 | -178.8 | 179.5 | 0 | 112.5 | H553 | H553-K648 PolarHBondContact O-N 2.84Å; H553-K648 VanDerWaalsContact O-N 3.09Å |
| 649 | L | 89 | Confident | 84.3 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 154.5 | 166.1 | -53.9 | -176.8 | 0 | 0 | 0 | 109.8 | H553 V555 Y595 L646 F647 Y655 F677 T679 | H553-L649 PolarHBondContact CD2-O 2.92Å; H553-L649 VanDerWaalsContact CD2-O 3.26Å; H553-L649 PolarHBondContact O-N 2.86Å; V555-L649 HydrophobicContact CG1-CD1 4.18Å; Y595-L649 HydrophobicContact CD2-CD2 4.12Å; Y595-L649 HydrophobicContact CE2-CD2 3.56Å; L646-L649 HydrophobicContact CB-CD1 4.32Å; L646-L649 HydrophobicContact CB-CD2 4.28Å; L646-L649 HydrophobicContact CB-CG 4.49Å; F647-L649 PolarHBondContact O-N 3.17Å; L649-Y655 HydrophobicContact CB-CE2 3.89Å; L649-Y655 HydrophobicContact CD2-CE1 4.21Å; L649-Y655 HydrophobicContact CD2-CE2 4.3Å; L649-Y655 HydrophobicContact CG-CE2 4.47Å; L649-F677 HydrophobicContact CD1-CE2 3.77Å; L649-F677 HydrophobicContact CD1-CZ 3.95Å; L649-T679 HydrophobicContact CB-CG2 3.86Å; L649-T679 HydrophobicContact CD1-CG2 3.95Å |
| 650 | E | 85 | Confident | 85.9 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 140.8 | 174.2 | -68 | 144.2 | -119 | 0 | 0 | 109.5 | R618 T653 Y655 T679 | R618-E650 IonicContact NH2-OE1 3.95Å; R618-E650 PolarHBondContact NH2-OE1 2.9Å; E650-T653 HydrophobicContact CB-CG2 4.42Å; E650-T653 WeakPolarHBondContact CB-OG1 3Å; E650-T653 WeakPolarHBondContact O-CB 3.12Å; E650-T653 PolarHBondContact O-OG1 2.85Å; E650-Y655 WeakPolarHBondContact CB-OH 3.34Å; E650-Y655 PolarHBondContact N-OH 2.8Å; E650-Y655 PolarHBondContact OE1-OH 2.96Å; E650-T679 WeakPolarHBondContact O-CB 3.46Å; E650-T679 PolarHBondContact O-OG1 2.93Å |
| 651 | S | 82.4 | Confident | 87 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 152.1 | 179.2 | 56 | 0 | 0 | 0 | 0 | 113 | S552 T653 T679 L680 S711 | S552-S651 VanDerWaalsContact O-CA 3.27Å; S552-S651 WeakPolarHBondContact O-CA 3.38Å; S552-S651 PolarHBondContact O-N 2.9Å; S651-T653 PolarHBondContact O-N 2.82Å; S651-T653 PolarHBondContact O-OG1 2.83Å; S651-T679 WeakPolarHBondContact CA-OG1 3.46Å; S651-L680 WeakPolarHBondContact CA-O 3.35Å; S651-L680 WeakPolarHBondContact CB-O 3.42Å; S651-S711 WeakPolarHBondContact OG-CB 3.36Å; S651-S711 PolarHBondContact OG-OG 2.86Å |
| 652 | A | 80.8 | Confident | 87.3 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 23 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | T679 L680 S711 | A652-T679 VanDerWaalsContact CA-O 3.31Å; A652-T679 WeakPolarHBondContact CA-O 3.49Å; A652-T679 PolarHBondContact N-O 2.93Å; A652-T679 PolarHBondContact N-OG1 2.77Å; A652-T679 VanDerWaalsContact N-OG1 3.1Å; A652-L680 PolarHBondContact N-O 2.81Å; A652-S711 VanDerWaalsContact CB-C 3.48Å; A652-S711 WeakPolarHBondContact CB-O 3.04Å |
| 653 | T | 84.3 | Confident | 87.3 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | trans | -106.7 | 129 | -171.1 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | P597 E650 S651 Y655 T678 T679 | P597-T653 HydrophobicContact CB-CG2 4.37Å; E650-T653 HydrophobicContact CB-CG2 4.42Å; E650-T653 WeakPolarHBondContact CB-OG1 3Å; E650-T653 WeakPolarHBondContact O-CB 3.12Å; E650-T653 PolarHBondContact O-OG1 2.85Å; S651-T653 PolarHBondContact O-N 2.82Å; S651-T653 PolarHBondContact O-OG1 2.83Å; T653-Y655 HydrophobicContact CG2-CD2 4.14Å; T653-Y655 HydrophobicContact CG2-CE2 3.63Å; T653-Y655 WeakPolarHBondContact O-CD2 3.35Å; T653-T678 WeakPolarHBondContact O-CA 3.4Å; T653-T679 PolarHBondContact N-OG1 2.83Å; T653-T679 PolarHBondContact O-N 2.56Å; T653-T679 VanDerWaalsContact O-N 3.16Å; T653-T679 PolarHBondContact O-OG1 2.85Å | ||
| 654 | R | 88.8 | Confident | 86.8 | Confident | 78 Ų | 78 | 37.1 Ų | 37.1 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125 | 174.1 | -170.4 | 176.1 | -178.4 | -141.7 | 1.6 | 109.8 | P597 A598 D601 F677 | P597-R654 CarbonylContact C-O 3.53Å; P597-R654 WeakPolarHBondContact CA-O 3.49Å; A598-R654 PolarHBondContact N-O 2.92Å; A598-R654 WeakPolarHBondContact O-CD 3.37Å; A598-R654 WeakPolarHBondContact O-CG 3.37Å; D601-R654 IonicContact OD1-CZ 3.73Å; D601-R654 IonicContact OD1-NH1 3.87Å; D601-R654 PolarHBondContact OD1-NH1 3.04Å; D601-R654 IonicContact OD1-NH2 2.73Å; D601-R654 PolarHBondContact OD1-NH2 3.11Å; R654-F677 CarbonylContact C-O 3.59Å; R654-F677 WeakPolarHBondContact CA-O 3.33Å |
| 655 | Y | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 159.2 | 176.2 | -75.2 | -86 | 0 | 0 | 0 | 110.8 | Y595 Q596 P597 L649 E650 T653 Y676 F677 T679 | Y595-Y655 HydrophobicContact CD2-CD1 4.16Å; Y595-Y655 HydrophobicContact CD2-CE1 4.39Å; Q596-Y655 WeakPolarHBondContact O-CA 3.46Å; Q596-Y655 WeakPolarHBondContact O-CD1 3.45Å; P597-Y655 HydrophobicContact CB-CE1 4.43Å; P597-Y655 HydrophobicContact CG-CD1 4.32Å; P597-Y655 HydrophobicContact CG-CE1 3.79Å; L649-Y655 HydrophobicContact CB-CE2 3.89Å; L649-Y655 HydrophobicContact CD2-CE1 4.21Å; L649-Y655 HydrophobicContact CD2-CE2 4.3Å; L649-Y655 HydrophobicContact CG-CE2 4.47Å; E650-Y655 WeakPolarHBondContact CB-OH 3.34Å; E650-Y655 PolarHBondContact N-OH 2.8Å; E650-Y655 PolarHBondContact OE1-OH 2.96Å; T653-Y655 HydrophobicContact CG2-CD2 4.14Å; T653-Y655 HydrophobicContact CG2-CE2 3.63Å; T653-Y655 WeakPolarHBondContact O-CD2 3.35Å; Y655-Y676 VanDerWaalsContact O-CA 3.28Å; Y655-Y676 WeakPolarHBondContact O-CA 3.37Å; Y655-F677 AromaticContact CD2-CE2 3.97Å; Y655-F677 HydrophobicContact CD2-CE2 3.97Å; Y655-F677 HydrophobicContact CD2-CZ 4.15Å; Y655-F677 HydrophobicContact CG-CE2 4.2Å; Y655-F677 AromaticContact CG-CZ 3.92Å; Y655-F677 HydrophobicContact CG-CZ 3.92Å; Y655-F677 PolarHBondContact N-O 3.31Å; Y655-F677 PolarHBondContact O-N 3.26Å; Y655-T679 HydrophobicContact CD2-CG2 4.3Å; Y655-T679 HydrophobicContact CE2-CG2 4.19Å |
| 656 | V | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.3 | 164 | 69.4 | 0 | 0 | 0 | 0 | 109.4 | Y595 Q596 A598 I602 W617 L674 V675 Y676 | Y595-V656 VanDerWaalsContact CA-O 3.24Å; Y595-V656 WeakPolarHBondContact CA-O 3.46Å; Y595-V656 WeakPolarHBondContact CB-O 3.26Å; Q596-V656 HydrophobicContact CG-CG1 3.84Å; Q596-V656 PolarHBondContact N-O 3.26Å; Q596-V656 VanDerWaalsContact N-O 3.14Å; Q596-V656 PolarHBondContact O-N 2.83Å; A598-V656 HydrophobicContact CB-CB 3.68Å; A598-V656 HydrophobicContact CB-CG1 3.74Å; I602-V656 HydrophobicContact CD1-CG1 3.89Å; W617-V656 HydrophobicContact CH2-CG1 3.49Å; W617-V656 VanDerWaalsContact CH2-CG1 3.49Å; W617-V656 HydrophobicContact CZ2-CG1 4.47Å; W617-V656 HydrophobicContact CZ3-CG1 3.68Å; V656-L674 HydrophobicContact CG2-CB 4.17Å; V656-L674 HydrophobicContact CG2-CD2 3.78Å; V656-V675 CarbonylContact C-O 3.41Å; V656-V675 WeakPolarHBondContact CA-O 3.35Å; V656-Y676 HydrophobicContact CB-CD1 3.73Å; V656-Y676 HydrophobicContact CB-CE1 3.75Å; V656-Y676 HydrophobicContact CB-CG 4.41Å; V656-Y676 HydrophobicContact CG2-CD1 3.83Å; V656-Y676 HydrophobicContact CG2-CD2 4.32Å; V656-Y676 HydrophobicContact CG2-CE1 3.66Å; V656-Y676 HydrophobicContact CG2-CE2 4.17Å; V656-Y676 HydrophobicContact CG2-CG 4.17Å |
| 657 | V | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.9 | 177.1 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | I545 L547 V557 L593 F594 V675 F677 | I545-V657 HydrophobicContact CD1-CG1 4.05Å; I545-V657 HydrophobicContact CD1-CG2 4.41Å; L547-V657 HydrophobicContact CD2-CG1 4.29Å; V557-V657 HydrophobicContact CG1-CG2 4.28Å; V557-V657 HydrophobicContact CG2-CG2 4.25Å; L593-V657 HydrophobicContact CD1-CG2 4.23Å; L593-V657 HydrophobicContact CD2-CG2 3.74Å; L593-V657 HydrophobicContact CG-CG2 3.89Å; F594-V657 VanDerWaalsContact O-CA 3.3Å; F594-V657 WeakPolarHBondContact O-CA 3.47Å; V657-V675 HydrophobicContact CG1-CB 4.38Å; V657-V675 PolarHBondContact N-O 2.9Å; V657-V675 PolarHBondContact O-N 2.94Å; V657-F677 HydrophobicContact CB-CE1 4.41Å; V657-F677 HydrophobicContact CG1-CD1 4.23Å; V657-F677 HydrophobicContact CG1-CE1 3.97Å |
| 658 | Y | 90.1 | Very high | 83.9 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166.1 | 165.6 | 73 | -80.5 | 0 | 0 | 0 | 110.9 | F594 W617 E660 V671 S672 N673 L674 | F594-Y658 HydrophobicContact CB-CD1 3.75Å; F594-Y658 HydrophobicContact CB-CE1 3.37Å; F594-Y658 HydrophobicContact CB-CE2 4.23Å; F594-Y658 HydrophobicContact CB-CG 4.32Å; F594-Y658 HydrophobicContact CD2-CD2 4.31Å; F594-Y658 HydrophobicContact CD2-CE1 4.34Å; F594-Y658 AromaticContact CD2-CE2 3.7Å; F594-Y658 HydrophobicContact CD2-CE2 3.7Å; F594-Y658 AromaticContact CD2-CZ 3.7Å; F594-Y658 HydrophobicContact CE2-CE2 4.35Å; F594-Y658 AromaticContact CG-CE1 3.97Å; F594-Y658 HydrophobicContact CG-CE1 3.97Å; F594-Y658 HydrophobicContact CG-CE2 4.16Å; F594-Y658 AromaticContact CG-CZ 3.68Å; F594-Y658 PolarHBondContact N-O 2.81Å; F594-Y658 PolarHBondContact O-N 3.11Å; W617-Y658 HydrophobicContact CD2-CE1 4.13Å; W617-Y658 HydrophobicContact CE3-CD1 4.21Å; W617-Y658 AromaticContact CE3-CE1 3.7Å; W617-Y658 HydrophobicContact CE3-CE1 3.7Å; W617-Y658 AromaticContact CH2-CD1 3.83Å; W617-Y658 HydrophobicContact CH2-CD1 3.83Å; W617-Y658 AromaticContact CH2-CE1 3.66Å; W617-Y658 HydrophobicContact CH2-CE1 3.66Å; W617-Y658 HydrophobicContact CZ2-CE1 4.11Å; W617-Y658 AromaticContact CZ3-CD1 3.57Å; W617-Y658 HydrophobicContact CZ3-CD1 3.57Å; W617-Y658 AromaticContact CZ3-CE1 3.44Å; W617-Y658 HydrophobicContact CZ3-CE1 3.44Å; W617-Y658 VanDerWaalsContact CZ3-CE1 3.44Å; Y658-E660 HydrophobicContact CD2-CG 4.1Å; Y658-E660 HydrophobicContact CE2-CG 3.65Å; Y658-V671 HydrophobicContact CD2-CG2 3.87Å; Y658-V671 HydrophobicContact CE2-CG2 4.18Å; Y658-S672 VanDerWaalsContact CA-OG 3.3Å; Y658-S672 WeakPolarHBondContact CA-OG 3.17Å; Y658-S672 WeakPolarHBondContact CB-OG 3.36Å; Y658-N673 WeakPolarHBondContact CB-O 3.37Å; Y658-L674 HydrophobicContact CD1-CD2 3.68Å; Y658-L674 HydrophobicContact CE1-CD2 4.5Å; Y658-L674 HydrophobicContact CG-CD2 4.1Å |
| 659 | V | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.8 | 177.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | F543 I545 W559 Y592 L593 V671 S672 | F543-V659 HydrophobicContact CE2-CB 4.16Å; F543-V659 HydrophobicContact CE2-CG1 4.49Å; F543-V659 HydrophobicContact CZ-CB 3.88Å; F543-V659 HydrophobicContact CZ-CG1 4Å; I545-V659 HydrophobicContact CG2-CG2 4.22Å; W559-V659 HydrophobicContact CD2-CG1 4.48Å; W559-V659 HydrophobicContact CD2-CG2 4.23Å; W559-V659 HydrophobicContact CE3-CG2 3.96Å; W559-V659 HydrophobicContact CZ3-CG2 4.38Å; Y592-V659 CarbonylContact O-C 3.58Å; Y592-V659 WeakPolarHBondContact O-CA 3.33Å; L593-V659 HydrophobicContact CB-CG2 4.28Å; L593-V659 HydrophobicContact CD1-CG2 4.29Å; L593-V659 HydrophobicContact CG-CG2 4.14Å; V659-V671 WeakPolarHBondContact O-CA 3.49Å; V659-S672 PolarHBondContact N-OG 3.45Å; V659-S672 PolarHBondContact O-N 3.23Å |
| 660 | E | 87.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 144.3 | 166.3 | -57.1 | -158.2 | 145.2 | 0 | 0 | 110.9 | M591 Y592 F594 R610 Y658 K662 A670 V671 | M591-E660 WeakPolarHBondContact CA-O 3.42Å; Y592-E660 PolarHBondContact N-O 3.07Å; Y592-E660 PolarHBondContact O-N 3.2Å; F594-E660 HydrophobicContact CD2-CG 4.07Å; F594-E660 HydrophobicContact CE2-CB 4.18Å; F594-E660 HydrophobicContact CE2-CG 3.72Å; R610-E660 WeakPolarHBondContact CD-OE2 3.44Å; R610-E660 IonicContact CZ-OE1 2.71Å; R610-E660 IonicContact CZ-OE2 3.72Å; R610-E660 VanDerWaalsContact CZ-OE2 3.28Å; R610-E660 VanDerWaalsContact NE-CD 3.27Å; R610-E660 IonicContact NE-OE1 3.93Å; R610-E660 PolarHBondContact NE-OE1 3.09Å; R610-E660 IonicContact NE-OE2 2.71Å; R610-E660 PolarHBondContact NE-OE2 3.02Å; R610-E660 VanDerWaalsContact NE-OE2 3.11Å; R610-E660 IonicContact NH1-OE2 3.72Å; R610-E660 VanDerWaalsContact NH2-CD 3.3Å; R610-E660 IonicContact NH2-OE1 2.81Å; R610-E660 PolarHBondContact NH2-OE1 3.41Å; R610-E660 IonicContact NH2-OE2 2.59Å; R610-E660 PolarHBondContact NH2-OE2 3.39Å; Y658-E660 HydrophobicContact CD2-CG 4.1Å; Y658-E660 HydrophobicContact CE2-CG 3.65Å; E660-K662 IonicContact OE2-NZ 2.67Å; E660-A670 CarbonylContact C-O 3.58Å; E660-A670 WeakPolarHBondContact CA-O 3.23Å; E660-V671 HydrophobicContact CG-CB 4.37Å; E660-V671 HydrophobicContact CG-CG2 3.94Å |
| 661 | M | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.3 | 165.4 | -50 | -171.6 | -163.7 | 0 | 0 | 108.3 | F543 P562 I565 V589 L590 M591 F663 G669 A670 | F543-M661 HydrophobicContact CE1-CE 4.08Å; F543-M661 HydrophobicContact CE1-CG 4.36Å; F543-M661 HydrophobicContact CE2-CE 4.03Å; F543-M661 HydrophobicContact CZ-CE 3.69Å; F543-M661 HydrophobicContact CZ-CG 4.36Å; P562-M661 HydrophobicContact CB-SD 4.14Å; P562-M661 HydrophobicContact CG-SD 4.04Å; I565-M661 HydrophobicContact CD1-CE 3.77Å; I565-M661 HydrophobicContact CD1-SD 3.42Å; I565-M661 WeakPolarHBondContact CD1-SD 3.25Å; V589-M661 HydrophobicContact CG1-CB 3.87Å; V589-M661 HydrophobicContact CG1-CG 4.5Å; V589-M661 HydrophobicContact CG1-SD 4.49Å; L590-M661 CarbonylContact O-C 3.32Å; L590-M661 WeakPolarHBondContact O-CA 3.18Å; M591-M661 HydrophobicContact CE-CE 3.78Å; M591-M661 HydrophobicContact CE-CG 4.19Å; M591-M661 HydrophobicContact CE-SD 3.86Å; M591-M661 HydrophobicContact CG-CG 4.25Å; M661-F663 HydrophobicContact CB-CE2 3.94Å; M661-F663 HydrophobicContact CB-CZ 4.28Å; M661-G669 CarbonylContact O-C 3.47Å; M661-G669 VanDerWaalsContact O-CA 3.26Å; M661-G669 WeakPolarHBondContact O-CA 3.25Å; M661-A670 HydrophobicContact CB-CB 4.31Å; M661-A670 PolarHBondContact N-O 2.68Å; M661-A670 PolarHBondContact O-N 3.19Å |
| 662 | K | 83.2 | Confident | 84 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 14% | 0.143 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.3 | 175 | -67.8 | 169.2 | -163 | 147.6 | 0 | 108.7 | Y537 W540 V589 L590 Y592 E660 P664 | Y537-K662 HydrophobicContact CD1-CB 4.41Å; Y537-K662 HydrophobicContact CD1-CG 4.39Å; Y537-K662 HydrophobicContact CE1-CB 3.74Å; Y537-K662 HydrophobicContact CE1-CD 4.4Å; Y537-K662 HydrophobicContact CE1-CG 4.05Å; Y537-K662 HydrophobicContact CE2-CD 4.34Å; W540-K662 HydrophobicContact CH2-CD 4.46Å; W540-K662 HydrophobicContact CH2-CG 3.8Å; V589-K662 WeakPolarHBondContact CA-O 3.4Å; L590-K662 HydrophobicContact CB-CB 4.3Å; L590-K662 PolarHBondContact N-O 3.3Å; L590-K662 PolarHBondContact O-N 2.85Å; Y592-K662 HydrophobicContact CE2-CD 4Å; E660-K662 IonicContact OE2-NZ 2.67Å; K662-P664 WeakPolarHBondContact O-CD 3.38Å |
| 663 | F | 83.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 90.2 | -179.3 | -58.1 | -97.9 | 0 | 0 | 0 | 106.5 | P562 F567 V589 M661 L665 K666 R667 T668 A670 | P562-F663 HydrophobicContact CB-CE1 4.44Å; F567-F663 HydrophobicContact CE2-CD1 4.49Å; F567-F663 AromaticContact CE2-CD2 3.8Å; F567-F663 HydrophobicContact CE2-CD2 3.8Å; F567-F663 HydrophobicContact CE2-CE1 4.34Å; F567-F663 AromaticContact CE2-CE2 3.66Å; F567-F663 HydrophobicContact CE2-CE2 3.66Å; F567-F663 HydrophobicContact CE2-CG 4.25Å; F567-F663 AromaticContact CE2-CZ 3.95Å; F567-F663 HydrophobicContact CE2-CZ 3.95Å; F567-F663 AromaticContact CZ-CD2 3.7Å; F567-F663 HydrophobicContact CZ-CD2 3.7Å; F567-F663 AromaticContact CZ-CE2 3.63Å; F567-F663 HydrophobicContact CZ-CE2 3.63Å; F567-F663 HydrophobicContact CZ-CG 4.5Å; F567-F663 HydrophobicContact CZ-CZ 4.36Å; V589-F663 HydrophobicContact CB-CE1 4.39Å; V589-F663 HydrophobicContact CG1-CD1 4.29Å; V589-F663 HydrophobicContact CG1-CE1 3.92Å; V589-F663 HydrophobicContact CG1-CE2 4.46Å; V589-F663 HydrophobicContact CG1-CZ 4Å; V589-F663 HydrophobicContact CG2-CD1 3.75Å; V589-F663 HydrophobicContact CG2-CE1 3.53Å; V589-F663 HydrophobicContact CG2-CZ 4.39Å; M661-F663 HydrophobicContact CB-CE2 3.94Å; M661-F663 HydrophobicContact CB-CZ 4.28Å; F663-L665 VanDerWaalsContact C-N 3.31Å; F663-L665 PolarHBondContact O-N 2.88Å; F663-K666 HydrophobicContact CB-CB 4.19Å; F663-K666 PolarHBondContact O-N 3.26Å; F663-R667 PolarHBondContact O-N 2.91Å; F663-T668 PolarHBondContact N-O 3.36Å; F663-T668 PolarHBondContact O-N 3.44Å; F663-A670 HydrophobicContact CE2-CB 4.27Å |
| 664 | P | 75.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 32.6 Ų | 32.6 | 29% | 0.286 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.4 | -166.6 | -23.7 | 35.9 | 0 | 0 | 0 | 113 | L588 L590 K662 R667 | L588-P664 WeakPolarHBondContact O-CD 3.3Å; L590-P664 HydrophobicContact CD1-CG 3.88Å; L590-P664 HydrophobicContact CG-CG 4.14Å; K662-P664 WeakPolarHBondContact O-CD 3.38Å; P664-R667 PolarHBondContact O-N 3.14Å |
| 665 | L | 73 | Confident | 84.3 | Confident | 134 Ų | 134 | 30.3 Ų | 30.3 | 70% | 0.702 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -53 | 176.5 | -60.2 | 174.3 | 0 | 0 | 0 | 111.1 | F663 R667 | F663-L665 VanDerWaalsContact C-N 3.31Å; F663-L665 PolarHBondContact O-N 2.88Å; L665-R667 PolarHBondContact O-N 3.31Å |
| 666 | K | 70.8 | Confident | 84.3 | Confident | 99 Ų | 99 | 33.6 Ų | 33.6 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.8 | 178 | -69.8 | 173.2 | 174.7 | 152.9 | 0 | 114 | E587 F663 T668 | E587-K666 VanDerWaalsContact OE1-CD 3.27Å; E587-K666 WeakPolarHBondContact OE1-CD 3.03Å; E587-K666 WeakPolarHBondContact OE1-CE 3.49Å; E587-K666 IonicContact OE1-NZ 3.37Å; E587-K666 PolarHBondContact OE1-NZ 3Å; E587-K666 IonicContact OE2-NZ 2.63Å; E587-K666 PolarHBondContact OE2-NZ 2.96Å; F663-K666 HydrophobicContact CB-CB 4.19Å; F663-K666 PolarHBondContact O-N 3.26Å; K666-T668 HydrophobicContact CB-CG2 4.15Å; K666-T668 WeakPolarHBondContact O-CG2 3.07Å; K666-T668 PolarHBondContact O-N 3.27Å |
| 667 | R | 73.4 | Confident | 84.3 | Confident | 159 Ų | 159 | 34.4 Ų | 34.4 | 60% | 0.6 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 22.8 | -168.2 | -56.1 | -172.6 | -175.8 | -168.1 | 3.4 | 114.3 | Y537 F663 P664 L665 | Y537-R667 WeakPolarHBondContact CA-O 3.49Å; F663-R667 PolarHBondContact O-N 2.91Å; P664-R667 PolarHBondContact O-N 3.14Å; L665-R667 PolarHBondContact O-N 3.31Å |
| 668 | T | 79.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 164.7 | 178 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | Y537 N539 F567 F663 K666 | Y537-T668 WeakPolarHBondContact CD1-O 3.17Å; N539-T668 HydrophobicContact CB-CG2 3.94Å; F567-T668 HydrophobicContact CD1-CG2 3.92Å; F567-T668 HydrophobicContact CE1-CG2 4.07Å; F567-T668 VanDerWaalsContact CE1-OG1 3.29Å; F567-T668 WeakPolarHBondContact CE1-OG1 2.9Å; F567-T668 VanDerWaalsContact CZ-OG1 3.29Å; F567-T668 WeakPolarHBondContact CZ-OG1 3.4Å; F663-T668 PolarHBondContact N-O 3.36Å; F663-T668 PolarHBondContact O-N 3.44Å; K666-T668 HydrophobicContact CB-CG2 4.15Å; K666-T668 WeakPolarHBondContact O-CG2 3.07Å; K666-T668 PolarHBondContact O-N 3.27Å |
| 669 | G | 82.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 166.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N539 W540 R541 F567 M661 | N539-G669 PolarHBondContact O-N 2.92Å; W540-G669 CarbonylContact C-O 3.56Å; W540-G669 WeakPolarHBondContact CA-O 3.19Å; R541-G669 PolarHBondContact N-O 3.18Å; F567-G669 WeakPolarHBondContact CE1-O 3.42Å; M661-G669 CarbonylContact O-C 3.47Å; M661-G669 VanDerWaalsContact O-CA 3.26Å; M661-G669 WeakPolarHBondContact O-CA 3.25Å |
| 670 | A | 85.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R541 F543 I565 E660 M661 F663 | R541-A670 HydrophobicContact CB-CB 4.23Å; R541-A670 CarbonylContact O-C 3.45Å; R541-A670 VanDerWaalsContact O-CA 3.3Å; R541-A670 WeakPolarHBondContact O-CA 3.38Å; F543-A670 HydrophobicContact CD1-CB 3.94Å; F543-A670 HydrophobicContact CE1-CB 3.87Å; I565-A670 HydrophobicContact CD1-CB 3.84Å; I565-A670 HydrophobicContact CG2-CB 4.07Å; E660-A670 CarbonylContact C-O 3.58Å; E660-A670 WeakPolarHBondContact CA-O 3.23Å; M661-A670 HydrophobicContact CB-CB 4.31Å; M661-A670 PolarHBondContact N-O 2.68Å; M661-A670 PolarHBondContact O-N 3.19Å; F663-A670 HydrophobicContact CE2-CB 4.27Å |
| 671 | V | 86.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 134 | -179 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | W540 R541 K542 R609 Y658 V659 E660 | W540-V671 HydrophobicContact CE3-CB 4.01Å; W540-V671 HydrophobicContact CE3-CG1 3.85Å; W540-V671 HydrophobicContact CZ3-CB 4.31Å; R541-V671 PolarHBondContact O-N 3.1Å; K542-V671 WeakPolarHBondContact CA-O 3.42Å; R609-V671 VanDerWaalsContact NH1-CG1 3.34Å; Y658-V671 HydrophobicContact CD2-CG2 3.87Å; Y658-V671 HydrophobicContact CE2-CG2 4.18Å; V659-V671 WeakPolarHBondContact O-CA 3.49Å; E660-V671 HydrophobicContact CG-CB 4.37Å; E660-V671 HydrophobicContact CG-CG2 3.94Å |
| 672 | S | 90.1 | Very high | 83 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 175.9 | -172 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | F543 R609 Y658 V659 | F543-S672 CarbonylContact O-C 3.49Å; F543-S672 WeakPolarHBondContact O-CA 3.33Å; R609-S672 PolarHBondContact NH1-O 3.36Å; R609-S672 PolarHBondContact NH2-O 3.07Å; Y658-S672 VanDerWaalsContact CA-OG 3.3Å; Y658-S672 WeakPolarHBondContact CA-OG 3.17Å; Y658-S672 WeakPolarHBondContact CB-OG 3.36Å; V659-S672 PolarHBondContact N-OG 3.45Å; V659-S672 PolarHBondContact O-N 3.23Å |
| 673 | N | 85.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -59.4 | 164.7 | 152.9 | 65.7 | -2.5 | 0 | 0 | 0 | 111.6 | F543 D544 I545 Y658 V675 | F543-N673 PolarHBondContact O-N 2.69Å; D544-N673 WeakPolarHBondContact OD1-CB 3.36Å; D544-N673 PolarHBondContact OD1-ND2 3.21Å; I545-N673 PolarHBondContact N-OD1 2.87Å; Y658-N673 WeakPolarHBondContact CB-O 3.37Å; N673-V675 WeakPolarHBondContact OD1-CG2 3.23Å | ||
| 674 | L | 84.6 | Confident | 82.8 | Confident | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -94.1 | 120.7 | 169.8 | -77.9 | 160.7 | 0 | 0 | 0 | 107.5 | W617 V656 Y658 | W617-L674 HydrophobicContact CH2-CD2 4.01Å; V656-L674 HydrophobicContact CG2-CB 4.17Å; V656-L674 HydrophobicContact CG2-CD2 3.78Å; Y658-L674 HydrophobicContact CD1-CD2 3.68Å; Y658-L674 HydrophobicContact CE1-CD2 4.5Å; Y658-L674 HydrophobicContact CG-CD2 4.1Å | ||
| 675 | V | 89.2 | Confident | 83.2 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.6 | 179 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | I545 L547 V656 V657 N673 | I545-V675 HydrophobicContact CD1-CB 4.26Å; I545-V675 HydrophobicContact CD1-CG2 4.06Å; I545-V675 HydrophobicContact CG1-CB 4.15Å; I545-V675 HydrophobicContact CG1-CG2 3.51Å; L547-V675 HydrophobicContact CD1-CG1 3.73Å; L547-V675 HydrophobicContact CG-CG1 4.13Å; V656-V675 CarbonylContact C-O 3.41Å; V656-V675 WeakPolarHBondContact CA-O 3.35Å; V657-V675 HydrophobicContact CG1-CB 4.38Å; V657-V675 PolarHBondContact N-O 2.9Å; V657-V675 PolarHBondContact O-N 2.94Å; N673-V675 WeakPolarHBondContact OD1-CG2 3.23Å |
| 676 | Y | 91 | Very high | 83.7 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.1 | 178.6 | -61.5 | -98.6 | 0 | 0 | 0 | 110.4 | A598 I602 Y655 V656 | A598-Y676 HydrophobicContact CB-CD1 3.96Å; A598-Y676 HydrophobicContact CB-CE1 3.86Å; I602-Y676 PolarHBondContact N-OH 3.21Å; Y655-Y676 VanDerWaalsContact O-CA 3.28Å; Y655-Y676 WeakPolarHBondContact O-CA 3.37Å; V656-Y676 HydrophobicContact CB-CD1 3.73Å; V656-Y676 HydrophobicContact CB-CE1 3.75Å; V656-Y676 HydrophobicContact CB-CG 4.41Å; V656-Y676 HydrophobicContact CG2-CD1 3.83Å; V656-Y676 HydrophobicContact CG2-CD2 4.32Å; V656-Y676 HydrophobicContact CG2-CE1 3.66Å; V656-Y676 HydrophobicContact CG2-CE2 4.17Å; V656-Y676 HydrophobicContact CG2-CG 4.17Å |
| 677 | F | 90.9 | Very high | 84.4 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.1 | 174.2 | 66.6 | -85.9 | 0 | 0 | 0 | 110.6 | L547 L550 V555 L649 R654 Y655 V657 T679 | L547-F677 HydrophobicContact CD1-CB 3.65Å; L547-F677 HydrophobicContact CD1-CD1 3.79Å; L547-F677 HydrophobicContact CD1-CG 3.94Å; L550-F677 HydrophobicContact CD1-CD2 3.94Å; V555-F677 HydrophobicContact CB-CD2 4.43Å; V555-F677 HydrophobicContact CB-CE2 4.07Å; V555-F677 HydrophobicContact CB-CZ 4.38Å; V555-F677 HydrophobicContact CG1-CD2 4.27Å; V555-F677 HydrophobicContact CG1-CE1 3.95Å; V555-F677 HydrophobicContact CG1-CE2 3.62Å; V555-F677 HydrophobicContact CG1-CZ 3.44Å; V555-F677 VanDerWaalsContact CG1-CZ 3.44Å; L649-F677 HydrophobicContact CD1-CE2 3.77Å; L649-F677 HydrophobicContact CD1-CZ 3.95Å; R654-F677 CarbonylContact C-O 3.59Å; R654-F677 WeakPolarHBondContact CA-O 3.33Å; Y655-F677 AromaticContact CD2-CE2 3.97Å; Y655-F677 HydrophobicContact CD2-CE2 3.97Å; Y655-F677 HydrophobicContact CD2-CZ 4.15Å; Y655-F677 HydrophobicContact CG-CE2 4.2Å; Y655-F677 AromaticContact CG-CZ 3.92Å; Y655-F677 HydrophobicContact CG-CZ 3.92Å; Y655-F677 PolarHBondContact N-O 3.31Å; Y655-F677 PolarHBondContact O-N 3.26Å; V657-F677 HydrophobicContact CB-CE1 4.41Å; V657-F677 HydrophobicContact CG1-CD1 4.23Å; V657-F677 HydrophobicContact CG1-CE1 3.97Å; F677-T679 HydrophobicContact CE2-CG2 4.32Å |
| 678 | T | 87.9 | Confident | 84.9 | Confident | 70 Ų | 70 | 33.7 Ų | 33.7 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.8 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 108.8 | L550 T653 | L550-T678 WeakPolarHBondContact CD2-O 3.48Å; T653-T678 WeakPolarHBondContact O-CA 3.4Å |
| 679 | T | 87.6 | Confident | 85 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 157 | 174.9 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | S551 L649 E650 S651 A652 T653 Y655 F677 | S551-T679 WeakPolarHBondContact O-CA 3.34Å; S551-T679 WeakPolarHBondContact O-CB 3.46Å; L649-T679 HydrophobicContact CB-CG2 3.86Å; L649-T679 HydrophobicContact CD1-CG2 3.95Å; E650-T679 WeakPolarHBondContact O-CB 3.46Å; E650-T679 PolarHBondContact O-OG1 2.93Å; S651-T679 WeakPolarHBondContact CA-OG1 3.46Å; A652-T679 VanDerWaalsContact CA-O 3.31Å; A652-T679 WeakPolarHBondContact CA-O 3.49Å; A652-T679 PolarHBondContact N-O 2.93Å; A652-T679 PolarHBondContact N-OG1 2.77Å; A652-T679 VanDerWaalsContact N-OG1 3.1Å; T653-T679 PolarHBondContact N-OG1 2.83Å; T653-T679 PolarHBondContact O-N 2.56Å; T653-T679 VanDerWaalsContact O-N 3.16Å; T653-T679 PolarHBondContact O-OG1 2.85Å; Y655-T679 HydrophobicContact CD2-CG2 4.3Å; Y655-T679 HydrophobicContact CE2-CG2 4.19Å; F677-T679 HydrophobicContact CE2-CG2 4.32Å |
| 680 | L | 83.1 | Confident | 84.9 | Confident | 85 Ų | 85 | 42 Ų | 42 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 156.3 | 176.5 | -56.9 | 178.8 | 0 | 0 | 0 | 112 | S551 S552 S651 A652 | S551-L680 PolarHBondContact O-N 3.49Å; S552-L680 WeakPolarHBondContact CA-O 3.32Å; S552-L680 WeakPolarHBondContact CB-O 3.37Å; S651-L680 WeakPolarHBondContact CA-O 3.35Å; S651-L680 WeakPolarHBondContact CB-O 3.42Å; A652-L680 PolarHBondContact N-O 2.81Å |
| 681 | S | 77.8 | Confident | 84.9 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 166.8 | 175.3 | 44.3 | 0 | 0 | 0 | 0 | 113.1 | S711 | S681-S711 WeakPolarHBondContact CA-O 3.24Å; S681-S711 WeakPolarHBondContact CB-O 3.07Å |
| 682 | I | 80.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | trans | -154.8 | 166.4 | 171 | -168.2 | 165.3 | 0 | 0 | 0 | 108.2 | S711 | I682-S711 PolarHBondContact N-O 3.47Å; I682-S711 VanDerWaalsContact N-O 3.13Å; I682-S711 WeakPolarHBondContact O-CB 3.36Å | ||
| 683 | N | 79.5 | Confident | 84.8 | Confident | 61 Ų | 61 | 50 Ų | 50 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -47.9 | 138.5 | 177.4 | -62.9 | 67.8 | 0 | 0 | 0 | 112.8 | Y926 C929 | N683-Y926 PolarHBondContact ND2-O 2.92Å; N683-C929 PolarHBondContact ND2-O 2.92Å |
| 684 | P | 84.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 161.5 | 174.4 | 19.3 | -24.9 | 0 | 0 | 0 | 111.9 | P707 K709 P710 I714 A880 L882 S930 | P684-P707 HydrophobicContact CB-CB 4.24Å; P684-P707 HydrophobicContact CB-CG 4.13Å; P684-K709 CarbonylContact C-O 3.48Å; P684-K709 WeakPolarHBondContact CA-O 3.35Å; P684-P710 WeakPolarHBondContact CB-O 3.39Å; P684-I714 HydrophobicContact CB-CD1 3.9Å; P684-I714 HydrophobicContact CG-CD1 4.14Å; P684-A880 HydrophobicContact CG-CB 4.46Å; P684-A880 WeakPolarHBondContact CG-O 3.23Å; P684-L882 HydrophobicContact CG-CD2 4.18Å; P684-L882 HydrophobicContact CG-CG 4.38Å; P684-S930 WeakPolarHBondContact O-CA 3.49Å; P684-S930 WeakPolarHBondContact O-CB 3.42Å |
| 685 | S | 83.4 | Confident | 84.7 | Confident | 27 Ų | 27 | 50 Ų | 50 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 164.8 | 163.6 | 80.2 | 0 | 0 | 0 | 0 | 111.1 | P707 A708 K709 S930 | S685-P707 WeakPolarHBondContact O-CB 3.32Å; S685-P707 WeakPolarHBondContact O-CG 3.28Å; S685-P707 WeakPolarHBondContact OG-CA 3.26Å; S685-P707 WeakPolarHBondContact OG-CB 3.5Å; S685-A708 PolarHBondContact OG-N 2.9Å; S685-K709 PolarHBondContact N-O 3.48Å; S685-K709 PolarHBondContact OG-N 3.21Å; S685-K709 VanDerWaalsContact OG-N 3.17Å; S685-S930 WeakPolarHBondContact O-CB 3.44Å; S685-S930 PolarHBondContact O-OG 2.92Å; S685-S930 VanDerWaalsContact O-OG 3.09Å |
| 686 | P | 84.4 | Confident | 84.5 | Confident | 50 Ų | 50 | 52 Ų | 52 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 150.3 | 169.6 | -25 | 35.1 | 0 | 0 | 0 | 111.7 | Q688 P931 | P686-Q688 PolarHBondContact O-N 2.95Å; P686-P931 WeakPolarHBondContact CB-O 3.46Å; P686-P931 HydrophobicContact CG-CB 4.08Å; P686-P931 HydrophobicContact CG-CG 4.36Å; P686-P931 WeakPolarHBondContact CG-O 3.47Å |
| 687 | P | 85.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 135.5 | 168.8 | -24.3 | 35 | 0 | 0 | 0 | 111.1 | Y717 I878 A880 S933 | P687-Y717 HydrophobicContact CB-CE1 4.47Å; P687-Y717 HydrophobicContact CG-CD1 4.17Å; P687-Y717 HydrophobicContact CG-CE1 4.17Å; P687-I878 HydrophobicContact CB-CG2 4.08Å; P687-I878 HydrophobicContact CG-CG1 4.16Å; P687-I878 HydrophobicContact CG-CG2 4.09Å; P687-A880 HydrophobicContact CG-CB 4.22Å; P687-S933 WeakPolarHBondContact O-CB 3.32Å; P687-S933 PolarHBondContact O-OG 2.85Å |
| 688 | Q | 83.7 | Confident | 84.1 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 146.9 | -175.8 | -69.3 | -178.5 | 97.6 | 0 | 0 | 111.2 | P686 P690 M705 P706 A708 | P686-Q688 PolarHBondContact O-N 2.95Å; Q688-P690 VanDerWaalsContact C-N 3.33Å; Q688-P690 VanDerWaalsContact O-N 3.12Å; Q688-M705 HydrophobicContact CB-CB 3.85Å; Q688-M705 PolarHBondContact N-O 2.77Å; Q688-M705 PolarHBondContact O-N 2.72Å; Q688-P706 WeakPolarHBondContact CG-O 3.31Å; Q688-P706 PolarHBondContact NE2-O 2.68Å; Q688-A708 HydrophobicContact CG-CB 3.94Å |
| 689 | Y | 81.8 | Confident | 84 | Confident | 172 Ų | 172 | 52.8 Ų | 52.8 | 68% | 0.675 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 39.8 | 50.7 | 173.1 | -46.7 | -73 | 0 | 0 | 0 | 115 | W691 M705 | Y689-W691 PolarHBondContact O-N 2.83Å; Y689-M705 HydrophobicContact CD2-SD 3.74Å; Y689-M705 HydrophobicContact CE2-SD 4.38Å |
| 690 | P | 80.5 | Confident | 84 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135.8 | 167.2 | 28.7 | -35.5 | 0 | 0 | 0 | 108.8 | Q688 T703 W704 I878 S933 V935 | Q688-P690 VanDerWaalsContact C-N 3.33Å; Q688-P690 VanDerWaalsContact O-N 3.12Å; P690-T703 CarbonylContact C-O 3.29Å; P690-T703 WeakPolarHBondContact CA-O 3.35Å; P690-W704 HydrophobicContact CB-CB 4.41Å; P690-I878 HydrophobicContact CB-CG2 4.02Å; P690-I878 HydrophobicContact CG-CG2 4.47Å; P690-S933 WeakPolarHBondContact CG-OG 3.36Å; P690-V935 HydrophobicContact CB-CG1 3.69Å; P690-V935 HydrophobicContact CG-CG1 3.68Å; P690-V935 WeakPolarHBondContact O-CG1 3.37Å |
| 691 | W | 86.4 | Confident | 84.3 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 45% | 0.451 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.8 | -179.5 | -176.1 | -103 | 0 | 0 | 0 | 108.4 | Y689 L702 T703 H756 | Y689-W691 PolarHBondContact O-N 2.83Å; W691-L702 CarbonylContact O-C 3.48Å; W691-L702 WeakPolarHBondContact O-CA 3.44Å; W691-T703 PolarHBondContact N-O 2.65Å; W691-T703 PolarHBondContact O-N 3.38Å; W691-H756 HydrophobicContact CH2-CB 4.46Å |
| 692 | L | 85.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.4 | 178.4 | -172.8 | 68.8 | 0 | 0 | 0 | 107.8 | L700 R701 L702 L865 V876 V935 N937 | L692-L700 HydrophobicContact CD1-CB 3.75Å; L692-L700 HydrophobicContact CD1-CD1 4.05Å; L692-L700 HydrophobicContact CD2-CD1 3.73Å; L692-L700 HydrophobicContact CG-CB 4.22Å; L692-L700 HydrophobicContact CG-CD1 3.88Å; L692-R701 WeakPolarHBondContact CA-O 3.47Å; L692-L702 HydrophobicContact CB-CD1 4.34Å; L692-L702 HydrophobicContact CD1-CB 3.97Å; L692-L702 HydrophobicContact CD1-CD1 4.09Å; L692-L865 HydrophobicContact CD1-CD1 4.09Å; L692-V876 HydrophobicContact CD1-CG2 4.28Å; L692-V876 HydrophobicContact CD2-CB 4.47Å; L692-V876 HydrophobicContact CD2-CG2 3.73Å; L692-V935 HydrophobicContact CB-CB 4.27Å; L692-V935 HydrophobicContact CB-CG2 3.77Å; L692-V935 HydrophobicContact CD2-CG2 4.29Å; L692-N937 HydrophobicContact CB-CB 4.24Å; L692-N937 HydrophobicContact CD2-CB 4.14Å; L692-N937 HydrophobicContact CG-CB 4.16Å; L692-N937 WeakPolarHBondContact O-CB 3.32Å; L692-N937 PolarHBondContact O-ND2 3.47Å |
| 693 | E | 87.4 | Confident | 85.2 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.9 | -175.4 | 67.9 | -163.9 | 123.5 | 0 | 0 | 112.2 | L700 R701 | E693-L700 CarbonylContact O-C 3.5Å; E693-L700 VanDerWaalsContact O-CA 3.25Å; E693-L700 WeakPolarHBondContact O-CA 3.35Å; E693-R701 HydrophobicContact CG-CB 3.96Å; E693-R701 PolarHBondContact N-O 2.88Å; E693-R701 PolarHBondContact O-N 3.36Å; E693-R701 IonicContact OE1-CZ 2.68Å; E693-R701 IonicContact OE1-NE 3.14Å; E693-R701 PolarHBondContact OE1-NE 2.91Å; E693-R701 IonicContact OE1-NH2 3.88Å; E693-R701 PolarHBondContact OE1-NH2 3.13Å; E693-R701 IonicContact OE2-CZ 3.31Å; E693-R701 IonicContact OE2-NE 2.71Å; E693-R701 IonicContact OE2-NH2 2.62Å; E693-R701 PolarHBondContact OE2-NH2 2.72Å |
| 694 | P | 84.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.6 | -179.7 | 32.3 | -34.6 | 0 | 0 | 0 | 112.4 | L700 N940 | P694-L700 HydrophobicContact CB-CD2 3.83Å; P694-N940 HydrophobicContact CB-CB 4.43Å; P694-N940 WeakPolarHBondContact CB-OD1 3.08Å; P694-N940 WeakPolarHBondContact CG-OD1 3.39Å |
| 695 | V | 83.8 | Confident | 85.5 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -43.3 | 180 | 179 | 0 | 0 | 0 | 0 | 110.8 | S699 R701 Y864 | V695-S699 PolarHBondContact N-O 3.34Å; V695-R701 HydrophobicContact CG2-CB 3.54Å; V695-Y864 HydrophobicContact CG2-CD1 4.24Å; V695-Y864 HydrophobicContact CG2-CE1 4.1Å |
| 696 | N | 85.3 | Confident | 85.4 | Confident | 71 Ų | 71 | 51.5 Ų | 51.5 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -171.5 | 176.5 | 65.9 | 61.1 | 0 | 0 | 0 | 110.1 | N698 S699 V939 | N696-N698 PolarHBondContact O-N 3.15Å; N696-N698 VanDerWaalsContact O-N 3.14Å; N696-N698 PolarHBondContact OD1-N 3.48Å; N696-S699 PolarHBondContact N-O 3.02Å; N696-S699 PolarHBondContact ND2-OG 3.11Å; N696-S699 PolarHBondContact OD1-N 3.13Å; N696-S699 PolarHBondContact OD1-OG 3.49Å; N696-V939 WeakPolarHBondContact O-CG1 3.45Å |
| 697 | K | 84.9 | Confident | 85.3 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -7.3 | -177.8 | 59.5 | 172.3 | -170.6 | -174.2 | 0 | 116.1 | P870 V939 H942 | K697-P870 HydrophobicContact CB-CG 4.44Å; K697-P870 WeakPolarHBondContact O-CA 3.2Å; K697-P870 WeakPolarHBondContact O-CG 3.45Å; K697-V939 VanDerWaalsContact O-CG1 3.23Å; K697-V939 WeakPolarHBondContact O-CG1 3.3Å; K697-H942 WeakPolarHBondContact CD-CD2 3.46Å; K697-H942 PolarHBondContact NZ-CD2 3.33Å; K697-H942 VanDerWaalsContact NZ-CD2 3.3Å; K697-H942 PolarHBondContact NZ-NE2 3.2Å |
| 698 | N | 87.1 | Confident | 84.7 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | 4.5 | -178.5 | -75.3 | 66.4 | 0 | 0 | 0 | 113.9 | N696 G867 L868 | N696-N698 PolarHBondContact O-N 3.15Å; N696-N698 VanDerWaalsContact O-N 3.14Å; N696-N698 PolarHBondContact OD1-N 3.48Å; N698-G867 PolarHBondContact O-N 2.83Å; N698-L868 WeakPolarHBondContact CA-O 3.46Å; N698-L868 PolarHBondContact ND2-O 3.11Å; N698-L868 PolarHBondContact O-N 3.39Å; N698-L868 VanDerWaalsContact O-N 3.14Å |
| 699 | S | 86.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.1 | -178.2 | 70.3 | 0 | 0 | 0 | 0 | 116.3 | V695 N696 L865 | V695-S699 PolarHBondContact N-O 3.34Å; N696-S699 PolarHBondContact N-O 3.02Å; N696-S699 PolarHBondContact ND2-OG 3.11Å; N696-S699 PolarHBondContact OD1-N 3.13Å; N696-S699 PolarHBondContact OD1-OG 3.49Å; S699-L865 CarbonylContact C-O 3.52Å; S699-L865 WeakPolarHBondContact CA-O 3.43Å; S699-L865 WeakPolarHBondContact CB-O 3.43Å |
| 700 | L | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.2 | 174 | -54.1 | 177.6 | 0 | 0 | 0 | 110.3 | L692 E693 P694 L865 L868 V874 V939 | L692-L700 HydrophobicContact CD1-CB 3.75Å; L692-L700 HydrophobicContact CD1-CD1 4.05Å; L692-L700 HydrophobicContact CD2-CD1 3.73Å; L692-L700 HydrophobicContact CG-CB 4.22Å; L692-L700 HydrophobicContact CG-CD1 3.88Å; E693-L700 CarbonylContact O-C 3.5Å; E693-L700 VanDerWaalsContact O-CA 3.25Å; E693-L700 WeakPolarHBondContact O-CA 3.35Å; P694-L700 HydrophobicContact CB-CD2 3.83Å; L700-L865 PolarHBondContact N-O 3.17Å; L700-L865 PolarHBondContact O-N 3.36Å; L700-L868 HydrophobicContact CB-CD1 4.5Å; L700-L868 HydrophobicContact CD1-CD1 3.95Å; L700-L868 HydrophobicContact CG-CD1 3.77Å; L700-V874 HydrophobicContact CD1-CB 3.75Å; L700-V874 HydrophobicContact CD1-CG1 4.4Å; L700-V874 HydrophobicContact CD1-CG2 3.81Å; L700-V939 HydrophobicContact CD1-CG2 4.38Å; L700-V939 HydrophobicContact CD2-CB 4.34Å; L700-V939 HydrophobicContact CD2-CG2 3.86Å; L700-V939 HydrophobicContact CG-CG2 4.04Å |
| 701 | R | 89.4 | Confident | 84.2 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123 | 167.1 | 176 | 172.2 | 69.1 | -164.2 | 2.7 | 108.3 | L692 E693 V695 V862 Y864 | L692-R701 WeakPolarHBondContact CA-O 3.47Å; E693-R701 HydrophobicContact CG-CB 3.96Å; E693-R701 PolarHBondContact N-O 2.88Å; E693-R701 PolarHBondContact O-N 3.36Å; E693-R701 IonicContact OE1-CZ 2.68Å; E693-R701 IonicContact OE1-NE 3.14Å; E693-R701 PolarHBondContact OE1-NE 2.91Å; E693-R701 IonicContact OE1-NH2 3.88Å; E693-R701 PolarHBondContact OE1-NH2 3.13Å; E693-R701 IonicContact OE2-CZ 3.31Å; E693-R701 IonicContact OE2-NE 2.71Å; E693-R701 IonicContact OE2-NH2 2.62Å; E693-R701 PolarHBondContact OE2-NH2 2.72Å; V695-R701 HydrophobicContact CG2-CB 3.54Å; R701-V862 HydrophobicContact CG-CG1 3.73Å; R701-Y864 HydrophobicContact CB-CD1 4Å; R701-Y864 HydrophobicContact CB-CE1 3.82Å; R701-Y864 HydrophobicContact CG-CD1 4.32Å; R701-Y864 HydrophobicContact CG-CE1 3.89Å |
| 702 | L | 89 | Confident | 83.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131 | 166.5 | -177 | 73 | 0 | 0 | 0 | 108.1 | W691 L692 W704 I719 V862 K863 V876 I878 V935 | W691-L702 CarbonylContact O-C 3.48Å; W691-L702 WeakPolarHBondContact O-CA 3.44Å; L692-L702 HydrophobicContact CB-CD1 4.34Å; L692-L702 HydrophobicContact CD1-CB 3.97Å; L692-L702 HydrophobicContact CD1-CD1 4.09Å; L702-W704 HydrophobicContact CD2-CE3 3.96Å; L702-W704 HydrophobicContact CD2-CZ3 3.94Å; L702-W704 HydrophobicContact CG-CE3 3.94Å; L702-W704 HydrophobicContact CG-CZ3 4.16Å; L702-I719 HydrophobicContact CD2-CD1 4.05Å; L702-I719 HydrophobicContact CD2-CG1 4.22Å; L702-I719 HydrophobicContact CD2-CG2 3.74Å; L702-V862 CarbonylContact O-C 3.51Å; L702-V862 WeakPolarHBondContact O-CA 3.42Å; L702-K863 PolarHBondContact N-O 2.89Å; L702-K863 PolarHBondContact O-N 2.99Å; L702-V876 HydrophobicContact CD1-CG1 4.17Å; L702-V876 HydrophobicContact CD2-CG1 4Å; L702-I878 HydrophobicContact CD2-CD1 4.5Å; L702-V935 HydrophobicContact CD1-CG2 3.91Å |
| 703 | T | 88.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.2 | 172 | -53.9 | 0 | 0 | 0 | 0 | 108 | P690 W691 V858 N861 V862 | P690-T703 CarbonylContact C-O 3.29Å; P690-T703 WeakPolarHBondContact CA-O 3.35Å; W691-T703 PolarHBondContact N-O 2.65Å; W691-T703 PolarHBondContact O-N 3.38Å; T703-V858 HydrophobicContact CG2-CG1 3.98Å; T703-N861 WeakPolarHBondContact CA-O 3.25Å; T703-V862 HydrophobicContact CG2-CG2 4.03Å |
| 704 | W | 86.2 | Confident | 83.2 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 166.7 | 174.3 | 62.7 | 96.3 | 0 | 0 | 0 | 111.6 | P690 L702 Y717 I719 Q833 N861 K863 I878 | P690-W704 HydrophobicContact CB-CB 4.41Å; L702-W704 HydrophobicContact CD2-CE3 3.96Å; L702-W704 HydrophobicContact CD2-CZ3 3.94Å; L702-W704 HydrophobicContact CG-CE3 3.94Å; L702-W704 HydrophobicContact CG-CZ3 4.16Å; W704-Y717 AromaticContact CD1-CE1 3.84Å; W704-Y717 HydrophobicContact CZ2-CD2 4.19Å; W704-Y717 HydrophobicContact CZ2-CG 4.31Å; W704-Y717 AromaticContact NE1-CD1 3.65Å; W704-Y717 AromaticContact NE1-CD2 3.92Å; W704-Y717 AromaticContact NE1-CE1 3.42Å; W704-Y717 AromaticContact NE1-CE2 3.71Å; W704-Y717 AromaticContact NE1-CG 3.89Å; W704-Y717 AromaticContact NE1-CZ 3.45Å; W704-I719 HydrophobicContact CH2-CD1 4.05Å; W704-I719 HydrophobicContact CZ3-CD1 4.23Å; W704-Q833 HydrophobicContact CH2-CG 4.42Å; W704-Q833 HydrophobicContact CZ2-CG 4.46Å; W704-N861 HydrophobicContact CD2-CB 4.03Å; W704-N861 HydrophobicContact CG-CB 4.17Å; W704-N861 HydrophobicContact CZ2-CB 4.17Å; W704-N861 PolarHBondContact N-O 2.77Å; W704-N861 PolarHBondContact NE1-OD1 3.5Å; W704-N861 WeakPolarHBondContact O-CB 3.32Å; W704-K863 HydrophobicContact CH2-CB 4.17Å; W704-K863 HydrophobicContact CZ3-CB 3.93Å; W704-I878 HydrophobicContact CB-CD1 4.41Å; W704-I878 HydrophobicContact CD2-CD1 3.45Å; W704-I878 VanDerWaalsContact CD2-CD1 3.45Å; W704-I878 HydrophobicContact CE3-CD1 3.83Å; W704-I878 HydrophobicContact CG-CD1 3.71Å; W704-I878 HydrophobicContact CZ2-CD1 4.22Å; W704-I878 HydrophobicContact CZ3-CD1 4.37Å |
| 705 | M | 82.4 | Confident | 83 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 151.5 | 165.8 | -74.9 | 179.5 | 61.4 | 0 | 0 | 110.2 | Q688 Y689 | Q688-M705 HydrophobicContact CB-CB 3.85Å; Q688-M705 PolarHBondContact N-O 2.77Å; Q688-M705 PolarHBondContact O-N 2.72Å; Y689-M705 HydrophobicContact CD2-SD 3.74Å; Y689-M705 HydrophobicContact CE2-SD 4.38Å |
| 706 | P | 82 | Confident | 83.1 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -56.1 | 160.3 | 174.3 | -26.3 | 35.5 | 0 | 0 | 0 | 113.2 | Q688 | Q688-P706 WeakPolarHBondContact CG-O 3.31Å; Q688-P706 PolarHBondContact NE2-O 2.68Å | ||
| 707 | P | 81.2 | Confident | 83.3 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | trans | -45.7 | 138.5 | 172.4 | -32.9 | 39 | 0 | 0 | 0 | 114.1 | P684 S685 K709 P710 I714 A880 | P684-P707 HydrophobicContact CB-CB 4.24Å; P684-P707 HydrophobicContact CB-CG 4.13Å; S685-P707 WeakPolarHBondContact O-CB 3.32Å; S685-P707 WeakPolarHBondContact O-CG 3.28Å; S685-P707 WeakPolarHBondContact OG-CA 3.26Å; S685-P707 WeakPolarHBondContact OG-CB 3.5Å; P707-K709 PolarHBondContact O-N 3.28Å; P707-P710 WeakPolarHBondContact O-CD 3.42Å; P707-I714 HydrophobicContact CG-CD1 4.21Å; P707-A880 HydrophobicContact CG-CB 3.62Å | ||
| 708 | A | 74.5 | Confident | 83.5 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 51% | 0.512 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -61.4 | -32.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | S685 Q688 | S685-A708 PolarHBondContact OG-N 2.9Å; Q688-A708 HydrophobicContact CG-CB 3.94Å |
| 709 | K | 76.5 | Confident | 83.6 | Confident | 146 Ų | 146 | 34.9 Ų | 34.9 | 64% | 0.635 | 19% | 0.192 | S | C | * | . | trans | -124.8 | 100.1 | 167.2 | -64.2 | 179.8 | -177.8 | 176.1 | 0 | 107.6 | P684 S685 P707 S711 | P684-K709 CarbonylContact C-O 3.48Å; P684-K709 WeakPolarHBondContact CA-O 3.35Å; S685-K709 PolarHBondContact N-O 3.48Å; S685-K709 PolarHBondContact OG-N 3.21Å; S685-K709 VanDerWaalsContact OG-N 3.17Å; P707-K709 PolarHBondContact O-N 3.28Å; K709-S711 VanDerWaalsContact C-N 3.27Å | ||
| 710 | P | 79.9 | Confident | 83.7 | Confident | 56 Ų | 56 | 34.7 Ų | 34.7 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | trans | -66 | -31.2 | 175.3 | -24.2 | 35.5 | 0 | 0 | 0 | 112.7 | P684 P707 G712 I714 | P684-P710 WeakPolarHBondContact CB-O 3.39Å; P707-P710 WeakPolarHBondContact O-CD 3.42Å; P710-G712 PolarHBondContact O-N 2.85Å; P710-I714 HydrophobicContact CB-CD1 4.2Å; P710-I714 HydrophobicContact CB-CG1 4.28Å | ||
| 711 | S | 78.2 | Confident | 83.7 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | trans | 53.8 | 13.1 | 172.4 | -69.7 | 0 | 0 | 0 | 0 | 116.7 | S651 A652 S681 I682 K709 | S651-S711 WeakPolarHBondContact OG-CB 3.36Å; S651-S711 PolarHBondContact OG-OG 2.86Å; A652-S711 VanDerWaalsContact CB-C 3.48Å; A652-S711 WeakPolarHBondContact CB-O 3.04Å; S681-S711 WeakPolarHBondContact CA-O 3.24Å; S681-S711 WeakPolarHBondContact CB-O 3.07Å; I682-S711 PolarHBondContact N-O 3.47Å; I682-S711 VanDerWaalsContact N-O 3.13Å; I682-S711 WeakPolarHBondContact O-CB 3.36Å; K709-S711 VanDerWaalsContact C-N 3.27Å | ||
| 712 | G | 76.9 | Confident | 83.5 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 167.6 | -168.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P710 | P710-G712 PolarHBondContact O-N 2.85Š|
| 713 | I | 79.8 | Confident | 83.2 | Confident | 103 Ų | 103 | 34.7 Ų | 34.7 | 53% | 0.528 | 19% | 0.192 | S | C | . | . | trans | -87.7 | 122.9 | 175 | -60.8 | 174.9 | 0 | 0 | 0 | 108.9 | D715 L882 E883 | I713-D715 PolarHBondContact O-N 3.05Å; I713-L882 VanDerWaalsContact O-CA 3.31Å; I713-L882 WeakPolarHBondContact O-CA 3Å; I713-E883 HydrophobicContact CB-CB 4.44Å; I713-E883 HydrophobicContact CG2-CB 4.49Å; I713-E883 PolarHBondContact O-N 2.9Å | ||
| 714 | I | 80.9 | Confident | 82.7 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 111.6 | 176.2 | -49.3 | -56.5 | 0 | 0 | 0 | 109.6 | P684 P707 P710 Y717 N835 A880 L882 | P684-I714 HydrophobicContact CB-CD1 3.9Å; P684-I714 HydrophobicContact CG-CD1 4.14Å; P707-I714 HydrophobicContact CG-CD1 4.21Å; P710-I714 HydrophobicContact CB-CD1 4.2Å; P710-I714 HydrophobicContact CB-CG1 4.28Å; I714-Y717 HydrophobicContact CG2-CE1 4.47Å; I714-Y717 HydrophobicContact CG2-CE2 4.12Å; I714-N835 WeakPolarHBondContact O-CB 2.91Å; I714-N835 PolarHBondContact O-ND2 3Å; I714-A880 HydrophobicContact CD1-CB 4.35Å; I714-A880 HydrophobicContact CG2-CB 4.08Å; I714-L882 HydrophobicContact CD1-CD2 4.06Å |
| 715 | D | 81.2 | Confident | 82 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -44.7 | 174.1 | 154.8 | 76.8 | 0 | 0 | 0 | 111.8 | I713 K834 N835 C881 E883 | I713-D715 PolarHBondContact O-N 3.05Å; D715-K834 IonicContact OD1-NZ 3.22Å; D715-K834 PolarHBondContact OD1-NZ 3Å; D715-N835 WeakPolarHBondContact O-CB 3.31Å; D715-N835 PolarHBondContact O-N 3.1Å; D715-C881 PolarHBondContact N-O 2.03Å; D715-E883 HydrophobicContact CB-CB 4.09Å |
| 716 | T | 85.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146.4 | -169.7 | 29.8 | 0 | 0 | 0 | 0 | 113.2 | V832 Q833 K834 C881 | T716-V832 HydrophobicContact CG2-CG1 3.98Å; T716-Q833 WeakPolarHBondContact CA-O 3.5Å; T716-K834 HydrophobicContact CG2-CB 4.47Å; T716-K834 HydrophobicContact CG2-CG 3.75Å; T716-C881 PolarHBondContact N-O 3.05Å; T716-C881 PolarHBondContact O-N 3.44Å |
| 717 | Y | 89.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.8 | 161.3 | -64.7 | -88 | 0 | 0 | 0 | 109.3 | P687 W704 I714 Q833 N835 I878 Q879 A880 | P687-Y717 HydrophobicContact CB-CE1 4.47Å; P687-Y717 HydrophobicContact CG-CD1 4.17Å; P687-Y717 HydrophobicContact CG-CE1 4.17Å; W704-Y717 AromaticContact CD1-CE1 3.84Å; W704-Y717 HydrophobicContact CZ2-CD2 4.19Å; W704-Y717 HydrophobicContact CZ2-CG 4.31Å; W704-Y717 AromaticContact NE1-CD1 3.65Å; W704-Y717 AromaticContact NE1-CD2 3.92Å; W704-Y717 AromaticContact NE1-CE1 3.42Å; W704-Y717 AromaticContact NE1-CE2 3.71Å; W704-Y717 AromaticContact NE1-CG 3.89Å; W704-Y717 AromaticContact NE1-CZ 3.45Å; I714-Y717 HydrophobicContact CG2-CE1 4.47Å; I714-Y717 HydrophobicContact CG2-CE2 4.12Å; Y717-Q833 PolarHBondContact N-O 2.87Å; Y717-Q833 PolarHBondContact O-N 3.49Å; Y717-N835 HydrophobicContact CE2-CB 4.5Å; Y717-I878 HydrophobicContact CD1-CD1 4.14Å; Y717-I878 HydrophobicContact CD1-CG1 4.39Å; Y717-I878 HydrophobicContact CG-CD1 4.49Å; Y717-Q879 CarbonylContact C-O 3.49Å; Y717-Q879 VanDerWaalsContact CA-O 3.28Å; Y717-Q879 WeakPolarHBondContact CA-O 3.42Å; Y717-A880 HydrophobicContact CD1-CB 3.81Å; Y717-A880 HydrophobicContact CE1-CB 3.68Å |
| 718 | L | 88.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.3 | 174.9 | -61.9 | 175.8 | 0 | 0 | 0 | 108.4 | L830 V832 I878 Q879 W903 | L718-L830 HydrophobicContact CB-CD1 4.1Å; L718-L830 HydrophobicContact CD2-CD1 4.37Å; L718-V832 HydrophobicContact CD2-CB 4.25Å; L718-V832 HydrophobicContact CD2-CG1 3.98Å; L718-V832 HydrophobicContact CD2-CG2 3.85Å; L718-I878 WeakPolarHBondContact O-CA 3.3Å; L718-Q879 HydrophobicContact CB-CG 3.77Å; L718-Q879 HydrophobicContact CD1-CG 4.36Å; L718-Q879 HydrophobicContact CG-CG 4.49Å; L718-Q879 PolarHBondContact N-O 3.39Å; L718-Q879 PolarHBondContact O-N 2.87Å; L718-W903 HydrophobicContact CD1-CD2 3.85Å; L718-W903 HydrophobicContact CD1-CE3 4.3Å; L718-W903 HydrophobicContact CD1-CG 4.18Å; L718-W903 HydrophobicContact CD1-CH2 4.48Å; L718-W903 HydrophobicContact CD1-CZ2 4.07Å; L718-W903 HydrophobicContact CD2-CB 4.17Å; L718-W903 HydrophobicContact CD2-CD2 4.43Å; L718-W903 HydrophobicContact CD2-CG 3.88Å |
| 719 | I | 89.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.2 | -175.2 | -57.9 | 162.3 | 0 | 0 | 0 | 108.3 | L702 W704 I721 L830 I831 Q833 K863 V876 E877 I878 | L702-I719 HydrophobicContact CD2-CD1 4.05Å; L702-I719 HydrophobicContact CD2-CG1 4.22Å; L702-I719 HydrophobicContact CD2-CG2 3.74Å; W704-I719 HydrophobicContact CH2-CD1 4.05Å; W704-I719 HydrophobicContact CZ3-CD1 4.23Å; I719-I721 HydrophobicContact CG2-CG1 4.36Å; I719-L830 WeakPolarHBondContact O-CA 3.46Å; I719-I831 HydrophobicContact CB-CB 4.23Å; I719-I831 PolarHBondContact N-O 2.83Å; I719-I831 PolarHBondContact O-N 3.27Å; I719-Q833 HydrophobicContact CD1-CB 4.2Å; I719-K863 HydrophobicContact CD1-CB 4.29Å; I719-K863 HydrophobicContact CD1-CG 4.3Å; I719-V876 HydrophobicContact CG2-CG1 3.55Å; I719-E877 CarbonylContact C-O 3.58Å; I719-E877 WeakPolarHBondContact CA-O 3.48Å; I719-I878 HydrophobicContact CD1-CD1 4.4Å; I719-I878 HydrophobicContact CG1-CB 4.47Å; I719-I878 HydrophobicContact CG1-CD1 3.85Å; I719-I878 HydrophobicContact CG1-CG1 3.84Å |
| 720 | W | 87.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.5 | 179.2 | -50.1 | 79.4 | 0 | 0 | 0 | 110.2 | M804 V814 V828 G829 L830 V876 E877 W921 R932 | W720-M804 HydrophobicContact CE3-SD 3.87Å; W720-M804 HydrophobicContact CH2-SD 4.05Å; W720-M804 HydrophobicContact CZ3-SD 3.57Å; W720-M804 VanDerWaalsContact CZ3-SD 3.57Å; W720-V814 HydrophobicContact CE3-CG1 4.48Å; W720-V814 HydrophobicContact CZ3-CG1 3.96Å; W720-V814 HydrophobicContact CZ3-CG2 4.05Å; W720-V828 HydrophobicContact CE3-CG1 4.12Å; W720-G829 CarbonylContact C-O 3.56Å; W720-G829 VanDerWaalsContact CA-O 3.31Å; W720-G829 WeakPolarHBondContact CA-O 3.35Å; W720-L830 HydrophobicContact CD2-CD1 3.89Å; W720-L830 HydrophobicContact CE3-CB 4.44Å; W720-L830 HydrophobicContact CE3-CD1 4.2Å; W720-L830 HydrophobicContact CG-CD1 4.25Å; W720-L830 HydrophobicContact CH2-CD2 4.26Å; W720-L830 HydrophobicContact CZ2-CD1 4.31Å; W720-L830 HydrophobicContact CZ3-CD2 4.33Å; W720-V876 CarbonylContact O-C 3.57Å; W720-V876 WeakPolarHBondContact O-CA 3.32Å; W720-V876 WeakPolarHBondContact O-CG1 3.2Å; W720-E877 HydrophobicContact CB-CB 4.02Å; W720-E877 HydrophobicContact CG-CB 4.3Å; W720-E877 PolarHBondContact N-O 3.01Å; W720-E877 PolarHBondContact O-N 2.95Å; W720-W921 AromaticContact CH2-CE2 3.76Å; W720-W921 HydrophobicContact CH2-CH2 4.33Å; W720-W921 AromaticContact CH2-CZ2 3.4Å; W720-W921 HydrophobicContact CH2-CZ2 3.4Å; W720-W921 VanDerWaalsContact CH2-CZ2 3.4Å; W720-W921 AromaticContact CH2-NE1 3.81Å; W720-W921 AromaticContact CZ2-CZ2 3.77Å; W720-W921 HydrophobicContact CZ2-CZ2 3.77Å; W720-W921 AromaticContact CZ2-NE1 3.99Å; W720-W921 HydrophobicContact CZ3-CZ2 4.45Å; W720-R932 VanDerWaalsContact CE2-NH2 3.33Å |
| 721 | I | 88.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.5 | -171.8 | -52.4 | 173.5 | 0 | 0 | 0 | 110.3 | I719 F821 L823 G829 I831 L865 V874 | I719-I721 HydrophobicContact CG2-CG1 4.36Å; I721-F821 HydrophobicContact CD1-CE1 3.68Å; I721-F821 HydrophobicContact CD1-CZ 4.06Å; I721-F821 HydrophobicContact CG2-CZ 4.16Å; I721-L823 HydrophobicContact CB-CD1 4Å; I721-L823 HydrophobicContact CG2-CD1 3.74Å; I721-G829 PolarHBondContact N-O 3.48Å; I721-G829 PolarHBondContact O-N 2.93Å; I721-I831 HydrophobicContact CD1-CD1 3.71Å; I721-I831 HydrophobicContact CD1-CG1 4.03Å; I721-L865 HydrophobicContact CD1-CD1 4.06Å; I721-L865 HydrophobicContact CD1-CD2 3.71Å; I721-L865 HydrophobicContact CD1-CG 4.46Å; I721-L865 HydrophobicContact CG1-CD1 4.43Å; I721-V874 HydrophobicContact CG2-CG1 3.7Å |
| 722 | R | 85 | Confident | 78.2 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.2 | 172.7 | 180 | 171 | 172.4 | 169.7 | -1.9 | 110.6 | L724 W803 T805 L875 | R722-L724 HydrophobicContact CG-CD2 4.41Å; R722-W803 PolarHBondContact NH1-O 3.49Å; R722-T805 PolarHBondContact NH1-O 2.89Å; R722-L875 PolarHBondContact N-O 3.02Å; R722-L875 PolarHBondContact O-N 3.12Å |
| 723 | I | 83 | Confident | 77.8 | Confident | 30 Ų | 30 | 44 Ų | 44 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 138.2 | 169.6 | -68.1 | 174.9 | 0 | 0 | 0 | 108.8 | L823 L868 T872 | I723-L823 HydrophobicContact CD1-CB 3.87Å; I723-L823 WeakPolarHBondContact CD1-O 3.45Å; I723-L823 HydrophobicContact CG1-CB 4.45Å; I723-L868 HydrophobicContact CD1-CD2 4.5Å; I723-T872 HydrophobicContact CG2-CG2 3.65Å |
| 724 | L | 78.3 | Confident | 77.2 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.199 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.1 | 172 | -55.3 | 178.4 | 0 | 0 | 0 | 109 | R722 R873 L875 I936 | R722-L724 HydrophobicContact CG-CD2 4.41Å; L724-R873 HydrophobicContact CB-CB 3.88Å; L724-R873 PolarHBondContact N-O 3.26Å; L724-R873 WeakPolarHBondContact O-CB 3.32Å; L724-L875 HydrophobicContact CD1-CB 4.08Å; L724-L875 HydrophobicContact CG-CB 4.23Å; L724-I936 HydrophobicContact CD1-CD1 4.31Å; L724-I936 HydrophobicContact CD1-CG2 4.11Å |
| 725 | E | 71.7 | Confident | 77 | Confident | 137 Ų | 137 | 45 Ų | 45 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | trans | -90 | 150.5 | 173.5 | -67.4 | 178.9 | -168.7 | 0 | 0 | 110.4 | S825 | E725-S825 WeakPolarHBondContact OE1-CB 3.37Å; E725-S825 PolarHBondContact OE1-OG 3.37Å | ||
| 726 | D | 70.1 | Confident | 76.9 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | trans | -89.6 | 115.9 | 171.6 | -65.1 | -54.3 | 0 | 0 | 0 | 109.3 | P728 Y731 R873 R938 L1075 | D726-P728 VanDerWaalsContact O-CD 3.27Å; D726-P728 WeakPolarHBondContact O-CD 3.43Å; D726-Y731 HydrophobicContact CB-CE2 4.33Å; D726-R873 WeakPolarHBondContact OD1-CD 3.44Å; D726-R873 IonicContact OD1-NH1 3.82Å; D726-R873 PolarHBondContact OD1-NH1 3.18Å; D726-R873 VanDerWaalsContact OD1-NH1 3.17Å; D726-R938 VanDerWaalsContact CG-NH2 3.31Å; D726-R938 IonicContact OD1-CZ 2.72Å; D726-R938 IonicContact OD1-NH1 3.83Å; D726-R938 IonicContact OD1-NH2 3.79Å; D726-R938 PolarHBondContact OD1-NH2 3.28Å; D726-R938 IonicContact OD2-CZ 2.75Å; D726-R938 IonicContact OD2-NH1 3.17Å; D726-R938 PolarHBondContact OD2-NH1 2.85Å; D726-R938 IonicContact OD2-NH2 2.88Å; D726-R938 PolarHBondContact OD2-NH2 3.16Å; D726-L1075 HydrophobicContact CB-CD1 4.4Å | ||
| 727 | N | 69.2 | Low | 76.5 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | trans | -61.7 | 117.7 | 177.1 | 167.1 | 22.9 | 0 | 0 | 0 | 110.9 | S729 D730 Y731 | N727-S729 PolarHBondContact ND2-OG 2.65Å; N727-S729 PolarHBondContact O-N 3.01Å; N727-S729 WeakPolarHBondContact OD1-CB 3.5Å; N727-S729 PolarHBondContact OD1-N 2.82Å; N727-S729 PolarHBondContact OD1-OG 2.69Å; N727-D730 WeakPolarHBondContact CB-OD2 3.4Å; N727-D730 PolarHBondContact ND2-OD1 3.46Å; N727-D730 PolarHBondContact ND2-OD2 2.76Å; N727-D730 PolarHBondContact O-N 2.89Å; N727-Y731 WeakPolarHBondContact O-CD2 3.12Å | ||
| 728 | P | 67.6 | Low | 76 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -64.3 | -25.1 | -178.7 | -25.1 | 36.6 | 0 | 0 | 0 | 114.1 | D726 D730 Y731 L732 L976 V1038 | D726-P728 VanDerWaalsContact O-CD 3.27Å; D726-P728 WeakPolarHBondContact O-CD 3.43Å; P728-D730 VanDerWaalsContact C-N 3.31Å; P728-D730 PolarHBondContact O-N 3.3Å; P728-Y731 PolarHBondContact O-N 2.94Å; P728-L732 HydrophobicContact CB-CD1 3.92Å; P728-L732 WeakPolarHBondContact O-CB 3.49Å; P728-L732 VanDerWaalsContact O-CG 3.28Å; P728-L732 WeakPolarHBondContact O-CG 3.49Å; P728-L732 PolarHBondContact O-N 2.97Å; P728-L976 HydrophobicContact CB-CD1 4.26Å; P728-L976 HydrophobicContact CG-CD1 4.49Å; P728-V1038 HydrophobicContact CB-CG1 4.27Å; P728-V1038 HydrophobicContact CB-CG2 3.91Å; P728-V1038 HydrophobicContact CG-CG1 4.25Å |
| 729 | S | 67.7 | Low | 75 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -71.2 | -24.3 | -176.4 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | N727 Y731 | N727-S729 PolarHBondContact ND2-OG 2.65Å; N727-S729 PolarHBondContact O-N 3.01Å; N727-S729 WeakPolarHBondContact OD1-CB 3.5Å; N727-S729 PolarHBondContact OD1-N 2.82Å; N727-S729 PolarHBondContact OD1-OG 2.69Å; S729-Y731 PolarHBondContact O-N 2.86Å |
| 730 | D | 67.8 | Low | 73.8 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -67.4 | -25.2 | 176 | -62.3 | -25.9 | 0 | 0 | 0 | 112.4 | N727 P728 | N727-D730 WeakPolarHBondContact CB-OD2 3.4Å; N727-D730 PolarHBondContact ND2-OD1 3.46Å; N727-D730 PolarHBondContact ND2-OD2 2.76Å; N727-D730 PolarHBondContact O-N 2.89Å; P728-D730 VanDerWaalsContact C-N 3.31Å; P728-D730 PolarHBondContact O-N 3.3Å |
| 731 | Y | 68.9 | Low | 72.7 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -40.8 | -178.5 | -56.3 | -82.6 | 0 | 0 | 0 | 112.5 | D726 N727 P728 S729 T733 Q734 F736 L1075 | D726-Y731 HydrophobicContact CB-CE2 4.33Å; N727-Y731 WeakPolarHBondContact O-CD2 3.12Å; P728-Y731 PolarHBondContact O-N 2.94Å; S729-Y731 PolarHBondContact O-N 2.86Å; Y731-T733 PolarHBondContact O-N 3.03Å; Y731-Q734 PolarHBondContact O-N 3.37Å; Y731-F736 VanDerWaalsContact O-CE2 3.3Å; Y731-F736 WeakPolarHBondContact O-CE2 3.47Å; Y731-L1075 HydrophobicContact CD1-CD2 3.78Å; Y731-L1075 HydrophobicContact CE1-CD2 3.64Å; Y731-L1075 HydrophobicContact CE2-CD1 4.23Å; Y731-L1075 HydrophobicContact CE2-CD2 4.47Å; Y731-L1075 HydrophobicContact CG-CD2 4.25Å |
| 732 | L | 64.7 | Low | 71.4 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 5.1 | -171.5 | -70.5 | 170.1 | 0 | 0 | 0 | 115.4 | P728 L976 L1012 N1034 V1038 | P728-L732 HydrophobicContact CB-CD1 3.92Å; P728-L732 WeakPolarHBondContact O-CB 3.49Å; P728-L732 VanDerWaalsContact O-CG 3.28Å; P728-L732 WeakPolarHBondContact O-CG 3.49Å; P728-L732 PolarHBondContact O-N 2.97Å; L732-L976 HydrophobicContact CD1-CD2 4.45Å; L732-L976 HydrophobicContact CD2-CD2 4.1Å; L732-L976 HydrophobicContact CG-CD2 4.01Å; L732-L1012 HydrophobicContact CD2-CD1 3.72Å; L732-N1034 PolarHBondContact O-ND2 3.14Å; L732-V1038 HydrophobicContact CD1-CG2 3.54Å |
| 733 | T | 68.8 | Low | 70.5 | Confident | 123 Ų | 123 | 71.7 Ų | 71.7 | 76% | 0.755 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.7 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | Y731 | Y731-T733 PolarHBondContact O-N 3.03Š|
| 734 | Q | 67.2 | Low | 69.5 | Low | 91 Ų | 91 | 70.4 Ų | 70.4 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -113.5 | 138 | -170.5 | -171.1 | 169.9 | 19.6 | 0 | 0 | 113 | Y731 F736 H739 | Y731-Q734 PolarHBondContact O-N 3.37Å; Q734-F736 HydrophobicContact CB-CD2 4.47Å; Q734-F736 HydrophobicContact CB-CE2 3.99Å; Q734-F736 HydrophobicContact CB-CZ 4.01Å; Q734-F736 HydrophobicContact CG-CE1 4.41Å; Q734-F736 HydrophobicContact CG-CZ 4.39Å; Q734-F736 VanDerWaalsContact O-CD2 3.25Å; Q734-F736 WeakPolarHBondContact O-CD2 3.38Å; Q734-F736 PolarHBondContact O-N 2.91Å; Q734-H739 HydrophobicContact CG-CB 4.36Å; Q734-H739 VanDerWaalsContact NE2-CB 3.31Å |
| 735 | D | 75.6 | Confident | 68.3 | Low | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | trans | -86.8 | 96.8 | 171.4 | -163.9 | -51.4 | 0 | 0 | 0 | 111.1 | C737 I738 H739 S1011 S1013 | D735-C737 PolarHBondContact O-N 3.02Å; D735-C737 VanDerWaalsContact OD1-CB 3.3Å; D735-C737 WeakPolarHBondContact OD1-CB 3.49Å; D735-C737 PolarHBondContact OD1-N 2.9Å; D735-I738 HydrophobicContact CB-CD1 4.19Å; D735-I738 HydrophobicContact CB-CG1 4.27Å; D735-I738 PolarHBondContact O-N 2.89Å; D735-H739 PolarHBondContact O-N 2.88Å; D735-S1011 VanDerWaalsContact CG-CB 3.45Å; D735-S1011 VanDerWaalsContact OD1-CB 3.23Å; D735-S1011 WeakPolarHBondContact OD1-CB 3.29Å; D735-S1011 PolarHBondContact OD1-OG 3.12Å; D735-S1011 WeakPolarHBondContact OD2-CB 3.43Å; D735-S1011 PolarHBondContact OD2-OG 3.45Å; D735-S1013 PolarHBondContact OD2-OG 3.1Å; D735-S1013 VanDerWaalsContact OD2-OG 3.13Å | ||
| 736 | F | 78.2 | Confident | 67.1 | Low | 12 Ų | 12 | 71.4 Ų | 71.4 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.7 | -179.2 | -64.7 | -84.4 | 0 | 0 | 0 | 115 | Y731 Q734 I738 H739 K740 P741 I744 I978 | Y731-F736 VanDerWaalsContact O-CE2 3.3Å; Y731-F736 WeakPolarHBondContact O-CE2 3.47Å; Q734-F736 HydrophobicContact CB-CD2 4.47Å; Q734-F736 HydrophobicContact CB-CE2 3.99Å; Q734-F736 HydrophobicContact CB-CZ 4.01Å; Q734-F736 HydrophobicContact CG-CE1 4.41Å; Q734-F736 HydrophobicContact CG-CZ 4.39Å; Q734-F736 VanDerWaalsContact O-CD2 3.25Å; Q734-F736 WeakPolarHBondContact O-CD2 3.38Å; Q734-F736 PolarHBondContact O-N 2.91Å; F736-I738 VanDerWaalsContact C-N 3.28Å; F736-H739 WeakPolarHBondContact CA-O 3.37Å; F736-H739 WeakPolarHBondContact CD1-O 3.3Å; F736-K740 WeakPolarHBondContact O-CG 3.36Å; F736-P741 HydrophobicContact CD1-CG 4.3Å; F736-P741 HydrophobicContact CE1-CG 4.26Å; F736-I744 HydrophobicContact CD1-CD1 4.34Å; F736-I978 HydrophobicContact CB-CG2 3.51Å; F736-I978 HydrophobicContact CD1-CG2 3.9Å; F736-I978 HydrophobicContact CD2-CG2 3.19Å; F736-I978 HydrophobicContact CE1-CG2 4.42Å; F736-I978 HydrophobicContact CE2-CG2 3.77Å; F736-I978 HydrophobicContact CG-CG2 3.24Å; F736-I978 HydrophobicContact CZ-CG2 4.36Å |
| 737 | C | 79.2 | Confident | 66 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.6 | 166.5 | -76.1 | 0 | 0 | 0 | 0 | 111.8 | D735 K740 C1009 V1010 S1011 | D735-C737 PolarHBondContact O-N 3.02Å; D735-C737 VanDerWaalsContact OD1-CB 3.3Å; D735-C737 WeakPolarHBondContact OD1-CB 3.49Å; D735-C737 PolarHBondContact OD1-N 2.9Å; C737-K740 WeakPolarHBondContact O-CE 3.5Å; C737-C1009 WeakPolarHBondContact CA-SG 3.3Å; C737-C1009 HydrophobicContact CB-CB 3.75Å; C737-C1009 WeakPolarHBondContact CB-SG 3.36Å; C737-C1009 WeakPolarHBondContact SG-CB 3.46Å; C737-C1009 CovalentContact SG-SG 2.04Å; C737-C1009 PolarHBondContact SG-SG 2.87Å; C737-V1010 PolarHBondContact SG-N 2.97Å; C737-S1011 PolarHBondContact SG-N 3.02Å; C737-S1011 VanDerWaalsContact SG-N 3.35Å |
| 738 | I | 77.5 | Confident | 65.1 | Low | 128 Ų | 128 | 71.3 Ų | 71.3 | 66% | 0.656 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -41.2 | 176.4 | -46.4 | 179.2 | 0 | 0 | 0 | 111.2 | D735 F736 | D735-I738 HydrophobicContact CB-CD1 4.19Å; D735-I738 HydrophobicContact CB-CG1 4.27Å; D735-I738 PolarHBondContact O-N 2.89Å; F736-I738 VanDerWaalsContact C-N 3.28Å |
| 739 | H | 69.5 | Low | 64 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | trans | -116.9 | 96.2 | -178.4 | -71.2 | 5.4 | 0 | 0 | 0 | 110.8 | Q734 D735 F736 P741 | Q734-H739 HydrophobicContact CG-CB 4.36Å; Q734-H739 VanDerWaalsContact NE2-CB 3.31Å; D735-H739 PolarHBondContact O-N 2.88Å; F736-H739 WeakPolarHBondContact CA-O 3.37Å; F736-H739 WeakPolarHBondContact CD1-O 3.3Å; H739-P741 WeakPolarHBondContact O-CD 3.33Å | ||
| 740 | K | 64.5 | Low | 62.7 | Low | 90 Ų | 90 | 75.3 Ų | 75.3 | 39% | 0.391 | 39% | 0.394 | S | S | . | . | trans | -97.3 | 100.3 | -179 | -68.3 | 170.8 | -174.9 | 159.7 | 0 | 110.1 | F736 C737 | F736-K740 WeakPolarHBondContact O-CG 3.36Å; C737-K740 WeakPolarHBondContact O-CE 3.5Å | ||
| 741 | P | 63.1 | Low | 61.2 | Low | 40 Ų | 40 | 75.2 Ų | 75.2 | 26% | 0.26 | 39% | 0.393 | S | S | . | . | trans | -65 | 141.8 | 173.7 | 27.9 | -35.8 | 0 | 0 | 0 | 110.8 | F736 H739 W743 I744 | F736-P741 HydrophobicContact CD1-CG 4.3Å; F736-P741 HydrophobicContact CE1-CG 4.26Å; H739-P741 WeakPolarHBondContact O-CD 3.33Å; P741-W743 HydrophobicContact CG-CZ2 4.27Å; P741-W743 PolarHBondContact O-N 3.09Å; P741-I744 HydrophobicContact CG-CD1 3.73Å; P741-I744 HydrophobicContact CG-CG1 4.1Å; P741-I744 PolarHBondContact O-N 2.82Å; P741-I744 VanDerWaalsContact O-N 3.07Å | ||
| 742 | N | 61.3 | Low | 59.5 | Low | 143 Ų | 143 | 76.6 Ų | 76.6 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.3 | -169.1 | -64.9 | -12.7 | 0 | 0 | 0 | 114.1 | I744 H745 S746 | N742-I744 VanDerWaalsContact C-N 3.27Å; N742-I744 PolarHBondContact O-N 2.77Å; N742-H745 WeakPolarHBondContact O-CB 3.46Å; N742-H745 PolarHBondContact O-N 3Å; N742-S746 PolarHBondContact O-N 3.33Å |
| 743 | W | 66.6 | Low | 57.8 | Low | 101 Ų | 101 | 80.3 Ų | 80.3 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.1 | -24.1 | -178.7 | 64.5 | -103 | 0 | 0 | 0 | 113.9 | P741 H745 S746 G747 I978 L1075 | P741-W743 HydrophobicContact CG-CZ2 4.27Å; P741-W743 PolarHBondContact O-N 3.09Å; W743-H745 PolarHBondContact O-N 3.34Å; W743-S746 WeakPolarHBondContact CA-OG 3.47Å; W743-S746 PolarHBondContact O-N 3.09Å; W743-S746 PolarHBondContact O-OG 3.15Å; W743-S746 VanDerWaalsContact O-OG 3.04Å; W743-G747 PolarHBondContact O-N 3Å; W743-I978 HydrophobicContact CH2-CD1 3.67Å; W743-I978 HydrophobicContact CZ3-CD1 4.33Å; W743-L1075 HydrophobicContact CH2-CD2 3.94Å; W743-L1075 VanDerWaalsContact CZ3-O 3.25Å; W743-L1075 WeakPolarHBondContact CZ3-O 3.44Å |
| 744 | I | 61.5 | Low | 56 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.015 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68 | -22.9 | 172.4 | -65.8 | 178.2 | 0 | 0 | 0 | 111.1 | F736 P741 N742 I978 I1073 | F736-I744 HydrophobicContact CD1-CD1 4.34Å; P741-I744 HydrophobicContact CG-CD1 3.73Å; P741-I744 HydrophobicContact CG-CG1 4.1Å; P741-I744 PolarHBondContact O-N 2.82Å; P741-I744 VanDerWaalsContact O-N 3.07Å; N742-I744 VanDerWaalsContact C-N 3.27Å; N742-I744 PolarHBondContact O-N 2.77Å; I744-I978 HydrophobicContact CD1-CD1 3.69Å; I744-I978 HydrophobicContact CD1-CG2 4.31Å; I744-I978 HydrophobicContact CG1-CD1 4.24Å; I744-I1073 HydrophobicContact CG2-CD1 4.22Å; I744-I1073 HydrophobicContact CG2-CG2 3.67Å |
| 745 | H | 53.4 | Low | 54.2 | Low | 108 Ų | 108 | 84.6 Ų | 84.6 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -89.4 | -28.4 | 178.9 | -74.3 | -99.9 | 0 | 0 | 0 | 113.8 | N742 W743 | N742-H745 WeakPolarHBondContact O-CB 3.46Å; N742-H745 PolarHBondContact O-N 3Å; W743-H745 PolarHBondContact O-N 3.34Å |
| 746 | S | 47.3 | Very low | 52 | Low | 88 Ų | 88 | 88.9 Ų | 88.9 | 62% | 0.615 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -75.3 | -37.7 | 169.8 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | N742 W743 | N742-S746 PolarHBondContact O-N 3.33Å; W743-S746 WeakPolarHBondContact CA-OG 3.47Å; W743-S746 PolarHBondContact O-N 3.09Å; W743-S746 PolarHBondContact O-OG 3.15Å; W743-S746 VanDerWaalsContact O-OG 3.04Å |
| 747 | G | 46.3 | Very low | 49.6 | Very low | 25 Ų | 25 | 93.1 Ų | 93.1 | 26% | 0.258 | 48% | 0.48 | S | S | . | . | trans | 65.8 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W743 D749 | W743-G747 PolarHBondContact O-N 3Å; G747-D749 VanDerWaalsContact C-N 3.35Å; G747-D749 PolarHBondContact O-N 3.31Å | ||
| 748 | W | 51 | Low | 47.1 | Very low | 73 Ų | 73 | 97 Ų | 97 | 28% | 0.277 | 50% | 0.499 | S | S | . | . | trans | -85.6 | 77.2 | 169.1 | -80.2 | 60.8 | 0 | 0 | 0 | 110.1 | T750 F871 R938 P941 A1076 | W748-T750 PolarHBondContact O-N 2.77Å; W748-F871 AromaticContact CD2-CE2 3.8Å; W748-F871 HydrophobicContact CD2-CE2 3.8Å; W748-F871 AromaticContact CE2-CE2 3.41Å; W748-F871 VanDerWaalsContact CE2-CE2 3.41Å; W748-F871 AromaticContact CE2-CZ 3.88Å; W748-F871 HydrophobicContact CE3-CE2 4.35Å; W748-F871 HydrophobicContact CG-CE2 4.24Å; W748-F871 HydrophobicContact CH2-CE2 4.24Å; W748-F871 AromaticContact CZ2-CE2 3.67Å; W748-F871 HydrophobicContact CZ2-CE2 3.67Å; W748-F871 HydrophobicContact CZ2-CZ 4.02Å; W748-F871 AromaticContact NE1-CE2 3.6Å; W748-F871 AromaticContact NE1-CZ 3.76Å; W748-R938 HydrophobicContact CH2-CB 4.04Å; W748-R938 HydrophobicContact CH2-CG 4.29Å; W748-P941 HydrophobicContact CB-CG 3.95Å; W748-P941 HydrophobicContact CD2-CG 4.39Å; W748-P941 VanDerWaalsContact CE3-CD 3.45Å; W748-P941 HydrophobicContact CE3-CG 4.18Å; W748-P941 HydrophobicContact CG-CG 4.32Å; W748-A1076 VanDerWaalsContact CD1-O 3.23Å; W748-A1076 HydrophobicContact CG-CB 4.39Å; W748-A1076 PolarHBondContact N-O 3.49Å; W748-A1076 VanDerWaalsContact N-O 3.13Å | ||
| 749 | D | 43 | Very low | 44.8 | Very low | 67 Ų | 67 | 100.3 Ų | 100.3 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | trans | -67.6 | 103.1 | 175.1 | -167.8 | -32.2 | 0 | 0 | 0 | 110 | R204 G747 N751 L752 | R204-D749 IonicContact CZ-OD1 2.65Å; R204-D749 IonicContact CZ-OD2 2.84Å; R204-D749 IonicContact NH1-OD1 3.94Å; R204-D749 PolarHBondContact NH1-OD1 3.3Å; R204-D749 IonicContact NH1-OD2 3.02Å; R204-D749 PolarHBondContact NH1-OD2 3.46Å; R204-D749 IonicContact NH2-OD1 3.94Å; R204-D749 PolarHBondContact NH2-OD1 3.16Å; R204-D749 IonicContact NH2-OD2 3.21Å; G747-D749 VanDerWaalsContact C-N 3.35Å; G747-D749 PolarHBondContact O-N 3.31Å; D749-N751 PolarHBondContact O-N 2.66Å; D749-N751 PolarHBondContact OD1-N 3.23Å; D749-N751 VanDerWaalsContact OD1-N 3.13Å; D749-L752 HydrophobicContact CB-CD1 4.3Å; D749-L752 PolarHBondContact O-N 2.91Å; D749-L752 VanDerWaalsContact O-N 3.13Å | ||
| 750 | T | 42.3 | Very low | 43 | Very low | 102 Ų | 102 | 102.3 Ų | 102.3 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 2.8 | -175.6 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | W748 | W748-T750 PolarHBondContact O-N 2.77Š|
| 751 | N | 35.4 | Very low | 41.2 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 13.1 | -179.4 | -62 | -93.4 | 0 | 0 | 0 | 113.1 | D749 | D749-N751 PolarHBondContact O-N 2.66Å; D749-N751 PolarHBondContact OD1-N 3.23Å; D749-N751 VanDerWaalsContact OD1-N 3.13Å |
| 752 | L | 32.6 | Very low | 39.5 | Very low | 88 Ų | 88 | 113 Ų | 113 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -116.8 | 117.9 | 169.4 | -84.7 | 163.4 | 0 | 0 | 0 | 110.1 | D749 I754 | D749-L752 HydrophobicContact CB-CD1 4.3Å; D749-L752 PolarHBondContact O-N 2.91Å; D749-L752 VanDerWaalsContact O-N 3.13Å; L752-I754 PolarHBondContact O-N 2.77Å |
| 753 | P | 29.3 | Very low | 38 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 71% | 0.708 | 58% | 0.579 | S | S | * | * | trans | -67.2 | 120.8 | 172.3 | 27.9 | -32.3 | 0 | 0 | 0 | 108.8 | R755 | P753-R755 PolarHBondContact O-N 2.91Š| ||
| 754 | I | 31.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 120 Ų | 120 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | trans | -67.9 | 91.4 | -176.7 | -57.1 | 174.9 | 0 | 0 | 0 | 109.7 | L752 H756 | L752-I754 PolarHBondContact O-N 2.77Å; I754-H756 PolarHBondContact O-N 3.14Å | ||
| 755 | R | 28.1 | Very low | 34.8 | Very low | 208 Ų | 208 | 123 Ų | 123 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -71.1 | 110.5 | 163.5 | -69.4 | -173 | 177.3 | -174.7 | 1.6 | 107.9 | P753 T757 | P753-R755 PolarHBondContact O-N 2.91Å; R755-T757 PolarHBondContact O-N 2.89Å | ||
| 756 | H | 29.7 | Very low | 33.8 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -71.8 | 61.1 | 172 | -92.7 | -87 | 0 | 0 | 0 | 111.3 | W691 I754 | W691-H756 HydrophobicContact CH2-CB 4.46Å; I754-H756 PolarHBondContact O-N 3.14Å |
| 757 | T | 27.5 | Very low | 33 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | trans | -143.1 | 39.7 | -174.1 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | R755 | R755-T757 PolarHBondContact O-N 2.89Š| ||
| 758 | D | 27.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -138.9 | 65.1 | 171.9 | -84.9 | -47.5 | 0 | 0 | 0 | 110.9 | R764 | D758-R764 IonicContact OD1-CZ 3.6Å; D758-R764 IonicContact OD1-NE 2.68Å; D758-R764 IonicContact OD1-NH2 2.82Å; D758-R764 PolarHBondContact OD1-NH2 3.37Å; D758-R764 IonicContact OD2-NH2 3.17Å; D758-R764 PolarHBondContact OD2-NH2 2.84Å |
| 759 | H | 29.9 | Very low | 31.7 | Very low | 197 Ų | 197 | 135 Ų | 135 | 91% | 0.912 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -170.5 | 42.8 | 153.2 | -96.2 | -47.7 | 0 | 0 | 0 | 113.2 | ||
| 760 | I | 30.6 | Very low | 31.1 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -124.3 | 136.2 | 154.9 | -66.3 | -178.7 | 0 | 0 | 0 | 107.1 | F762 | I760-F762 PolarHBondContact O-N 3.05Å; I760-F762 VanDerWaalsContact O-N 3.14Å |
| 761 | N | 27.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -72.1 | 103.6 | 179.6 | -70 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 762 | F | 26.6 | Very low | 30.8 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -141.1 | 132.9 | 142.8 | -91.3 | -77 | 0 | 0 | 0 | 108.3 | I760 | I760-F762 PolarHBondContact O-N 3.05Å; I760-F762 VanDerWaalsContact O-N 3.14Å | ||
| 763 | E | 31 | Very low | 30.6 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -64.6 | 137.2 | -176 | -61.4 | -176.9 | 128.7 | 0 | 0 | 110.8 | G765 | E763-G765 PolarHBondContact O-N 2.81Š| ||
| 764 | R | 29.2 | Very low | 30.8 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -70.1 | 78.4 | 179.1 | -67.4 | -173.2 | -176.7 | -169.5 | 1.7 | 110.7 | D758 | D758-R764 IonicContact OD1-CZ 3.6Å; D758-R764 IonicContact OD1-NE 2.68Å; D758-R764 IonicContact OD1-NH2 2.82Å; D758-R764 PolarHBondContact OD1-NH2 3.37Å; D758-R764 IonicContact OD2-NH2 3.17Å; D758-R764 PolarHBondContact OD2-NH2 2.84Å |
| 765 | G | 30.5 | Very low | 31 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | trans | -155.9 | 2.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | E763 | E763-G765 PolarHBondContact O-N 2.81Š| ||
| 766 | Y | 32.5 | Very low | 31.5 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | trans | -128.6 | 3.3 | -166.9 | -112.6 | -86 | 0 | 0 | 0 | 118.2 | ||||
| 767 | C | 31.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -89.2 | -15.1 | -173.1 | -65.4 | 0 | 0 | 0 | 0 | 116.5 | S769 | C767-S769 PolarHBondContact O-N 2.21Å; C767-S769 VanDerWaalsContact O-N 3.14Å |
| 768 | D | 33.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 25.2 | -179.1 | -67.4 | -31.7 | 0 | 0 | 0 | 113.9 | ||
| 769 | S | 36.5 | Very low | 33.1 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.1 | 19.2 | -174.4 | 63.1 | 0 | 0 | 0 | 0 | 115.8 | C767 S771 | C767-S769 PolarHBondContact O-N 2.21Å; C767-S769 VanDerWaalsContact O-N 3.14Å; S769-S771 PolarHBondContact O-N 2.66Å |
| 770 | C | 30.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -73.5 | 49.8 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 771 | S | 34.2 | Very low | 33.8 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -92 | 93.7 | 158.3 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | S769 | S769-S771 PolarHBondContact O-N 2.66Š|
| 772 | S | 37 | Very low | 34.3 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | 59.9 | 91.8 | -177.2 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | P774 | S772-P774 WeakPolarHBondContact O-CD 3.41Š| ||
| 773 | C | 30.1 | Very low | 34.7 | Very low | 83 Ų | 83 | 116 Ų | 116 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | trans | -66.6 | 111.2 | 170.5 | -70.8 | 0 | 0 | 0 | 0 | 110.5 | N775 | C773-N775 VanDerWaalsContact C-N 3.31Å; C773-N775 PolarHBondContact O-N 3.08Å; C773-N775 VanDerWaalsContact O-N 3.13Å | ||
| 774 | P | 32.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 111.1 Ų | 111.1 | 80% | 0.799 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 60 | -172.6 | 37.8 | -29.5 | 0 | 0 | 0 | 110.5 | S772 | S772-P774 WeakPolarHBondContact O-CD 3.41Š|
| 775 | N | 36 | Very low | 35 | Very low | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -170.5 | 47.8 | 159.3 | -102.6 | 1.7 | 0 | 0 | 0 | 111.7 | C773 H777 E778 I779 | C773-N775 VanDerWaalsContact C-N 3.31Å; C773-N775 PolarHBondContact O-N 3.08Å; C773-N775 VanDerWaalsContact O-N 3.13Å; N775-H777 PolarHBondContact O-N 3.41Å; N775-H777 VanDerWaalsContact O-N 3.13Å; N775-E778 HydrophobicContact CB-CB 4.39Å; N775-E778 HydrophobicContact CB-CG 4.42Å; N775-E778 PolarHBondContact ND2-OE2 2.81Å; N775-E778 PolarHBondContact O-N 2.91Å; N775-E778 VanDerWaalsContact O-N 3.15Å; N775-I779 PolarHBondContact O-N 2.69Å |
| 776 | L | 38.7 | Very low | 35.2 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.4 | -24.4 | 169.1 | -144.6 | 82.6 | 0 | 0 | 0 | 111.5 | E778 I779 E780 | L776-E778 PolarHBondContact O-N 3.16Å; L776-I779 CarbonylContact O-C 3.51Å; L776-I779 PolarHBondContact O-N 3.45Å; L776-E780 WeakPolarHBondContact O-CB 3.39Å; L776-E780 VanDerWaalsContact O-CG 3.27Å; L776-E780 WeakPolarHBondContact O-CG 3.27Å; L776-E780 PolarHBondContact O-N 2.8Å |
| 777 | H | 39.2 | Very low | 35.1 | Very low | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.5 | -26.8 | 177.9 | -149.6 | 45.1 | 0 | 0 | 0 | 114.2 | N775 E780 Q781 | N775-H777 PolarHBondContact O-N 3.41Å; N775-H777 VanDerWaalsContact O-N 3.13Å; H777-E780 IonicContact CE1-OE2 2.72Å; H777-E780 IonicContact CG-OE2 2.84Å; H777-E780 IonicContact ND1-OE2 2.69Å; H777-E780 PolarHBondContact ND1-OE2 3.29Å; H777-Q781 WeakPolarHBondContact O-CG 3.2Å; H777-Q781 PolarHBondContact O-N 3Å; H777-Q781 VanDerWaalsContact O-N 3.15Å |
| 778 | E | 38.8 | Very low | 35.2 | Very low | 116 Ų | 116 | 105.2 Ų | 105.2 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.7 | -32.9 | 168.9 | -70.7 | -176 | 144.5 | 0 | 0 | 111.2 | N775 L776 E780 Q781 L782 | N775-E778 HydrophobicContact CB-CB 4.39Å; N775-E778 HydrophobicContact CB-CG 4.42Å; N775-E778 PolarHBondContact ND2-OE2 2.81Å; N775-E778 PolarHBondContact O-N 2.91Å; N775-E778 VanDerWaalsContact O-N 3.15Å; L776-E778 PolarHBondContact O-N 3.16Å; E778-E780 VanDerWaalsContact C-N 3.34Å; E778-Q781 CarbonylContact O-C 3.52Å; E778-Q781 WeakPolarHBondContact O-CA 3.35Å; E778-Q781 WeakPolarHBondContact O-CB 3.24Å; E778-Q781 PolarHBondContact O-N 3.14Å; E778-Q781 VanDerWaalsContact O-N 3.17Å; E778-L782 PolarHBondContact O-N 3.21Å |
| 779 | I | 39.8 | Very low | 35 | Very low | 105 Ų | 105 | 100.8 Ų | 100.8 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.7 | -23.9 | 174.8 | -61.7 | 179.9 | 0 | 0 | 0 | 111.6 | N775 L776 L782 S783 | N775-I779 PolarHBondContact O-N 2.69Å; L776-I779 CarbonylContact O-C 3.51Å; L776-I779 PolarHBondContact O-N 3.45Å; I779-L782 CarbonylContact O-C 3.58Å; I779-L782 PolarHBondContact O-N 3.32Å; I779-S783 PolarHBondContact O-N 2.87Å |
| 780 | E | 37.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 100.7 Ų | 100.7 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.4 | -34.4 | 164.2 | -75.4 | 169.1 | 163.7 | 0 | 0 | 111.4 | L776 H777 E778 L782 S783 N784 | L776-E780 WeakPolarHBondContact O-CB 3.39Å; L776-E780 VanDerWaalsContact O-CG 3.27Å; L776-E780 WeakPolarHBondContact O-CG 3.27Å; L776-E780 PolarHBondContact O-N 2.8Å; H777-E780 IonicContact CE1-OE2 2.72Å; H777-E780 IonicContact CG-OE2 2.84Å; H777-E780 IonicContact ND1-OE2 2.69Å; H777-E780 PolarHBondContact ND1-OE2 3.29Å; E778-E780 VanDerWaalsContact C-N 3.34Å; E780-L782 PolarHBondContact O-N 3.06Å; E780-S783 WeakPolarHBondContact CA-OG 3.29Å; E780-S783 PolarHBondContact O-N 3.23Å; E780-S783 PolarHBondContact O-OG 3.3Å; E780-N784 PolarHBondContact O-N 2.55Å; E780-N784 VanDerWaalsContact O-N 3.08Å; E780-N784 PolarHBondContact O-ND2 3.08Å |
| 781 | Q | 39.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.2 | -20.7 | 168.4 | -70.6 | 177 | 33.4 | 0 | 0 | 112.7 | H777 E778 | H777-Q781 WeakPolarHBondContact O-CG 3.2Å; H777-Q781 PolarHBondContact O-N 3Å; H777-Q781 VanDerWaalsContact O-N 3.15Å; E778-Q781 CarbonylContact O-C 3.52Å; E778-Q781 WeakPolarHBondContact O-CA 3.35Å; E778-Q781 WeakPolarHBondContact O-CB 3.24Å; E778-Q781 PolarHBondContact O-N 3.14Å; E778-Q781 VanDerWaalsContact O-N 3.17Å |
| 782 | L | 38 | Very low | 34.6 | Very low | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.9 | -21.6 | 166.3 | -64.8 | 171.4 | 0 | 0 | 0 | 113.4 | E778 I779 E780 N784 I785 | E778-L782 PolarHBondContact O-N 3.21Å; I779-L782 CarbonylContact O-C 3.58Å; I779-L782 PolarHBondContact O-N 3.32Å; E780-L782 PolarHBondContact O-N 3.06Å; L782-N784 PolarHBondContact O-N 3.33Å; L782-I785 HydrophobicContact CB-CD1 4.46Å; L782-I785 HydrophobicContact CD2-CD1 3.83Å; L782-I785 VanDerWaalsContact O-CB 3.22Å; L782-I785 WeakPolarHBondContact O-CB 3.44Å; L782-I785 VanDerWaalsContact O-CG1 3.29Å; L782-I785 WeakPolarHBondContact O-CG1 3.31Å; L782-I785 PolarHBondContact O-N 2.97Å |
| 783 | S | 34.8 | Very low | 34.3 | Very low | 66 Ų | 66 | 103.2 Ų | 103.2 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.9 | -20.6 | 168.4 | 80 | 0 | 0 | 0 | 0 | 111.6 | I779 E780 I785 Q786 | I779-S783 PolarHBondContact O-N 2.87Å; E780-S783 WeakPolarHBondContact CA-OG 3.29Å; E780-S783 PolarHBondContact O-N 3.23Å; E780-S783 PolarHBondContact O-OG 3.3Å; S783-I785 PolarHBondContact O-N 2.91Å; S783-I785 VanDerWaalsContact O-N 3.12Å; S783-Q786 WeakPolarHBondContact O-CB 3.47Å; S783-Q786 PolarHBondContact O-N 2.79Å |
| 784 | N | 33.1 | Very low | 34.3 | Very low | 82 Ų | 82 | 107 Ų | 107 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -0.1 | 160.8 | -75.6 | -50.6 | 0 | 0 | 0 | 114.5 | E780 L782 T787 | E780-N784 PolarHBondContact O-N 2.55Å; E780-N784 VanDerWaalsContact O-N 3.08Å; E780-N784 PolarHBondContact O-ND2 3.08Å; L782-N784 PolarHBondContact O-N 3.33Å; N784-T787 VanDerWaalsContact CA-OG1 3.29Å; N784-T787 WeakPolarHBondContact CA-OG1 3.45Å; N784-T787 WeakPolarHBondContact CB-OG1 3.11Å; N784-T787 PolarHBondContact O-N 2.8Å; N784-T787 PolarHBondContact O-OG1 3.32Å; N784-T787 PolarHBondContact OD1-OG1 3.31Å |
| 785 | I | 33.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -24.8 | 161.7 | -62.3 | 173.3 | 0 | 0 | 0 | 110.5 | L782 S783 T787 I788 | L782-I785 HydrophobicContact CB-CD1 4.46Å; L782-I785 HydrophobicContact CD2-CD1 3.83Å; L782-I785 VanDerWaalsContact O-CB 3.22Å; L782-I785 WeakPolarHBondContact O-CB 3.44Å; L782-I785 VanDerWaalsContact O-CG1 3.29Å; L782-I785 WeakPolarHBondContact O-CG1 3.31Å; L782-I785 PolarHBondContact O-N 2.97Å; S783-I785 PolarHBondContact O-N 2.91Å; S783-I785 VanDerWaalsContact O-N 3.12Å; I785-T787 VanDerWaalsContact C-N 3.25Å; I785-T787 PolarHBondContact O-N 2.79Å; I785-I788 WeakPolarHBondContact O-CB 3.32Å; I785-I788 PolarHBondContact O-N 2.88Å |
| 786 | Q | 34 | Very low | 33.9 | Very low | 160 Ų | 160 | 116.9 Ų | 116.9 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -12 | 169.8 | -63.6 | -170.6 | -21.1 | 0 | 0 | 113.5 | S783 S789 | S783-Q786 WeakPolarHBondContact O-CB 3.47Å; S783-Q786 PolarHBondContact O-N 2.79Å; Q786-S789 PolarHBondContact O-OG 2.85Å |
| 787 | T | 30.7 | Very low | 33.3 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 5.3 | 170.5 | 51 | 0 | 0 | 0 | 0 | 113.2 | N784 I785 S790 | N784-T787 VanDerWaalsContact CA-OG1 3.29Å; N784-T787 WeakPolarHBondContact CA-OG1 3.45Å; N784-T787 WeakPolarHBondContact CB-OG1 3.11Å; N784-T787 PolarHBondContact O-N 2.8Å; N784-T787 PolarHBondContact O-OG1 3.32Å; N784-T787 PolarHBondContact OD1-OG1 3.31Å; I785-T787 VanDerWaalsContact C-N 3.25Å; I785-T787 PolarHBondContact O-N 2.79Å; T787-S790 PolarHBondContact O-OG 3.09Å |
| 788 | I | 32.8 | Very low | 33 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -88.4 | -18.3 | 171.5 | -64.1 | 175.9 | 0 | 0 | 0 | 112 | I785 | I785-I788 WeakPolarHBondContact O-CB 3.32Å; I785-I788 PolarHBondContact O-N 2.88Å |
| 789 | S | 29.5 | Very low | 33.2 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -89.1 | -27.4 | 174.9 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | Q786 S791 N792 | Q786-S789 PolarHBondContact O-OG 2.85Å; S789-S791 PolarHBondContact O-N 3.37Å; S789-N792 PolarHBondContact O-N 2.83Å |
| 790 | S | 30.6 | Very low | 33.7 | Very low | 69 Ų | 69 | 109.8 Ų | 109.8 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 1.2 | -172.5 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | T787 | T787-S790 PolarHBondContact O-OG 3.09Š|
| 791 | S | 31.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 106.8 Ų | 106.8 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -9 | 173.6 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | S789 | S789-S791 PolarHBondContact O-N 3.37Š|
| 792 | N | 30.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 111.3 Ų | 111.3 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -118.1 | 5.4 | -176.5 | -86.5 | -29.5 | 0 | 0 | 0 | 114.8 | S789 N794 Y795 | S789-N792 PolarHBondContact O-N 2.83Å; N792-N794 PolarHBondContact O-N 2.85Å; N792-Y795 PolarHBondContact O-N 3.33Å |
| 793 | E | 30.8 | Very low | 35.9 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -68.4 | -3 | -173.1 | -63.8 | -172.8 | 147.8 | 0 | 0 | 115.1 | Y795 | E793-Y795 PolarHBondContact O-N 3.25Š|
| 794 | N | 30.2 | Very low | 37.3 | Very low | 162 Ų | 162 | 108.7 Ų | 108.7 | 87% | 0.866 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -77.7 | 10.5 | 175.1 | -74.5 | -41.1 | 0 | 0 | 0 | 114.7 | N792 | N792-N794 PolarHBondContact O-N 2.85Š|
| 795 | Y | 29.4 | Very low | 38.8 | Very low | 199 Ų | 199 | 105.9 Ų | 105.9 | 78% | 0.78 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -122.6 | 26.7 | -170.3 | -105.1 | -75.5 | 0 | 0 | 0 | 116.5 | N792 E793 P797 | N792-Y795 PolarHBondContact O-N 3.33Å; E793-Y795 PolarHBondContact O-N 3.25Å; Y795-P797 WeakPolarHBondContact O-CD 3.5Å |
| 796 | W | 29 | Very low | 40.4 | Very low | 219 Ų | 219 | 103.4 Ų | 103.4 | 83% | 0.83 | 53% | 0.531 | S | S | * | . | trans | -108.8 | 70.7 | 166.7 | -91 | -41.1 | 0 | 0 | 0 | 114.5 | ||||
| 797 | P | 27.2 | Very low | 41.8 | Very low | 96 Ų | 96 | 103.6 Ų | 103.6 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | trans | -82.6 | 130.8 | 167.3 | 33.5 | -32.3 | 0 | 0 | 0 | 112.3 | Y795 | Y795-P797 WeakPolarHBondContact O-CD 3.5Š| ||
| 798 | S | 32.6 | Very low | 43.5 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 57.5 | 123.5 | 153.3 | 56.4 | 0 | 0 | 0 | 0 | 121 | ||
| 799 | S | 43.7 | Very low | 44.8 | Very low | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 64.2 | 117.4 | 149.2 | 59.3 | 0 | 0 | 0 | 0 | 119.8 | ||
| 800 | V | 48.9 | Very low | 46.7 | Very low | 47 Ų | 47 | 102.6 Ų | 102.6 | 29% | 0.285 | 55% | 0.545 | S | S | . | . | trans | 71.6 | 112.6 | 154 | -178.6 | 0 | 0 | 0 | 0 | 115.6 | R802 M804 L811 | V800-R802 PolarHBondContact O-N 3.16Å; V800-M804 HydrophobicContact CB-CE 4.12Å; V800-M804 HydrophobicContact CG1-CB 3.97Å; V800-M804 HydrophobicContact CG1-CE 3.72Å; V800-M804 HydrophobicContact CG2-CE 4.41Å; V800-L811 HydrophobicContact CB-CD2 4.28Å; V800-L811 HydrophobicContact CG1-CD2 3.57Å; V800-L811 HydrophobicContact CG2-CD2 3.94Å | ||
| 801 | S | 52.9 | Low | 48.5 | Very low | 27 Ų | 27 | 102.5 Ų | 102.5 | 19% | 0.189 | 54% | 0.538 | C | S | . | . | trans | -51 | 128.5 | 164.8 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | W803 M804 E877 | S801-W803 PolarHBondContact O-N 3.08Å; S801-M804 VanDerWaalsContact N-CE 3.32Å; S801-M804 PolarHBondContact O-N 2.96Å; S801-E877 WeakPolarHBondContact CB-OE1 3.34Å; S801-E877 PolarHBondContact OG-OE1 3.35Å | ||
| 802 | R | 49.3 | Very low | 50.4 | Low | 218 Ų | 218 | 99 Ų | 99 | 82% | 0.823 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 4.5 | -172.6 | -162.4 | 179.9 | 178.3 | -178.9 | 1.2 | 114.4 | V800 T805 | V800-R802 PolarHBondContact O-N 3.16Å; R802-T805 PolarHBondContact O-OG1 2.7Å |
| 803 | W | 60.1 | Low | 52.5 | Low | 112 Ų | 112 | 95 Ų | 95 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 0.5 | -178.5 | -20.4 | -47.3 | 0 | 0 | 0 | 111.8 | R722 S801 L875 E877 T934 | R722-W803 PolarHBondContact NH1-O 3.49Å; S801-W803 PolarHBondContact O-N 3.08Å; W803-L875 HydrophobicContact CE3-CD1 4.44Å; W803-L875 HydrophobicContact CE3-CD2 4.35Å; W803-E877 HydrophobicContact CE3-CG 4.05Å; W803-E877 VanDerWaalsContact CE3-OE1 3.26Å; W803-E877 HydrophobicContact CZ3-CG 3.8Å; W803-E877 WeakPolarHBondContact CZ3-OE1 3.21Å; W803-T934 HydrophobicContact CH2-CG2 4.21Å; W803-T934 WeakPolarHBondContact CH2-OG1 3.28Å; W803-T934 HydrophobicContact CZ3-CG2 3.68Å; W803-T934 WeakPolarHBondContact CZ3-OG1 3.42Å |
| 804 | M | 63.4 | Low | 54.7 | Low | 6 Ų | 6 | 88.6 Ų | 88.6 | 3% | 0.03 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -82.1 | 7.9 | 157.1 | -62.2 | -170.5 | -71.2 | 0 | 0 | 111.9 | W720 V800 S801 L812 L914 R932 | W720-M804 HydrophobicContact CE3-SD 3.87Å; W720-M804 HydrophobicContact CH2-SD 4.05Å; W720-M804 HydrophobicContact CZ3-SD 3.57Å; W720-M804 VanDerWaalsContact CZ3-SD 3.57Å; V800-M804 HydrophobicContact CB-CE 4.12Å; V800-M804 HydrophobicContact CG1-CB 3.97Å; V800-M804 HydrophobicContact CG1-CE 3.72Å; V800-M804 HydrophobicContact CG2-CE 4.41Å; S801-M804 VanDerWaalsContact N-CE 3.32Å; S801-M804 PolarHBondContact O-N 2.96Å; M804-L812 WeakPolarHBondContact O-CB 3.48Å; M804-L812 WeakPolarHBondContact O-CG 3.4Å; M804-L812 PolarHBondContact O-N 2.78Å; M804-L914 HydrophobicContact SD-CD1 4.5Å; M804-R932 PolarHBondContact SD-NH1 2.99Å |
| 805 | T | 65.6 | Low | 57.1 | Low | 22 Ų | 22 | 82.7 Ų | 82.7 | 14% | 0.135 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -109.8 | 157.8 | 171.1 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | R722 R802 G809 N810 L811 | R722-T805 PolarHBondContact NH1-O 2.89Å; R802-T805 PolarHBondContact O-OG1 2.7Å; T805-G809 WeakPolarHBondContact CG2-O 3.31Å; T805-N810 CarbonylContact C-O 3.49Å; T805-N810 WeakPolarHBondContact CA-O 3.34Å; T805-N810 WeakPolarHBondContact CB-O 3.39Å; T805-L811 HydrophobicContact CG2-CD2 4.22Å |
| 806 | D | 65.9 | Low | 59.5 | Low | 50 Ų | 50 | 73.6 Ų | 73.6 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | trans | -70.8 | 179.5 | 162.7 | 70.5 | 10.9 | 0 | 0 | 0 | 111.9 | S808 G809 N810 L812 | D806-S808 PolarHBondContact O-N 2.94Å; D806-S808 VanDerWaalsContact O-N 3.17Å; D806-S808 VanDerWaalsContact OD1-C 3.26Å; D806-S808 VanDerWaalsContact OD1-CA 3.28Å; D806-S808 WeakPolarHBondContact OD1-CA 3.29Å; D806-S808 WeakPolarHBondContact OD1-CB 3.33Å; D806-S808 PolarHBondContact OD1-N 3.19Å; D806-G809 PolarHBondContact O-N 2.77Å; D806-G809 VanDerWaalsContact O-N 3.08Å; D806-G809 PolarHBondContact OD1-N 3.15Å; D806-N810 PolarHBondContact N-O 3.17Å; D806-N810 PolarHBondContact OD1-N 2.94Å; D806-N810 PolarHBondContact OD1-ND2 3.43Å; D806-N810 WeakPolarHBondContact OD2-CB 3.43Å; D806-N810 PolarHBondContact OD2-ND2 3.24Å; D806-L812 HydrophobicContact CB-CD2 4.04Å | ||
| 807 | D | 63.8 | Low | 61.7 | Low | 164 Ų | 164 | 64.1 Ų | 64.1 | 88% | 0.877 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.6 | 179.7 | -53.8 | -29.9 | 0 | 0 | 0 | 113.1 | ||
| 808 | S | 65.8 | Low | 63.7 | Low | 103 Ų | 103 | 64.4 Ų | 64.4 | 72% | 0.72 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3.6 | 174 | -60 | 0 | 0 | 0 | 0 | 113.1 | D806 | D806-S808 PolarHBondContact O-N 2.94Å; D806-S808 VanDerWaalsContact O-N 3.17Å; D806-S808 VanDerWaalsContact OD1-C 3.26Å; D806-S808 VanDerWaalsContact OD1-CA 3.28Å; D806-S808 WeakPolarHBondContact OD1-CA 3.29Å; D806-S808 WeakPolarHBondContact OD1-CB 3.33Å; D806-S808 PolarHBondContact OD1-N 3.19Å |
| 809 | G | 61.3 | Low | 65.2 | Low | 50 Ų | 50 | 63.6 Ų | 63.6 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 89.6 | 6.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T805 D806 | T805-G809 WeakPolarHBondContact CG2-O 3.31Å; D806-G809 PolarHBondContact O-N 2.77Å; D806-G809 VanDerWaalsContact O-N 3.08Å; D806-G809 PolarHBondContact OD1-N 3.15Å |
| 810 | N | 68.9 | Low | 66.1 | Low | 96 Ų | 96 | 67.2 Ų | 67.2 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 139.8 | 178.7 | -52.5 | -66.6 | 0 | 0 | 0 | 111.4 | T805 D806 L812 | T805-N810 CarbonylContact C-O 3.49Å; T805-N810 WeakPolarHBondContact CA-O 3.34Å; T805-N810 WeakPolarHBondContact CB-O 3.39Å; D806-N810 PolarHBondContact N-O 3.17Å; D806-N810 PolarHBondContact OD1-N 2.94Å; D806-N810 PolarHBondContact OD1-ND2 3.43Å; D806-N810 WeakPolarHBondContact OD2-CB 3.43Å; D806-N810 PolarHBondContact OD2-ND2 3.24Å; N810-L812 PolarHBondContact O-N 2.86Å |
| 811 | L | 67.4 | Low | 67 | Low | 67 Ų | 67 | 65.7 Ų | 65.7 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 127.2 | 177.1 | -63.6 | 177.2 | 0 | 0 | 0 | 112.1 | V800 T805 L914 | V800-L811 HydrophobicContact CB-CD2 4.28Å; V800-L811 HydrophobicContact CG1-CD2 3.57Å; V800-L811 HydrophobicContact CG2-CD2 3.94Å; T805-L811 HydrophobicContact CG2-CD2 4.22Å; L811-L914 HydrophobicContact CD1-CB 4.34Å |
| 812 | L | 72.3 | Confident | 67.6 | Low | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 144.5 | 172.5 | -59.6 | 178.2 | 0 | 0 | 0 | 110.7 | M804 D806 N810 V828 | M804-L812 WeakPolarHBondContact O-CB 3.48Å; M804-L812 WeakPolarHBondContact O-CG 3.4Å; M804-L812 PolarHBondContact O-N 2.78Å; D806-L812 HydrophobicContact CB-CD2 4.04Å; N810-L812 PolarHBondContact O-N 2.86Å; L812-V828 HydrophobicContact CB-CG2 3.91Å; L812-V828 HydrophobicContact CD1-CG2 3.92Å |
| 813 | P | 75.4 | Confident | 68.6 | Low | 43 Ų | 43 | 60.3 Ų | 60.3 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 139.5 | 175.4 | 29.2 | -34.8 | 0 | 0 | 0 | 111.2 | T827 V828 I911 | P813-T827 HydrophobicContact CG-CG2 3.9Å; P813-V828 PolarHBondContact O-N 3.19Å; P813-I911 HydrophobicContact CB-CG2 4.3Å |
| 814 | V | 76.6 | Confident | 69 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.1 | -179.6 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | W720 V828 L830 V912 L914 | W720-V814 HydrophobicContact CE3-CG1 4.48Å; W720-V814 HydrophobicContact CZ3-CG1 3.96Å; W720-V814 HydrophobicContact CZ3-CG2 4.05Å; V814-V828 CarbonylContact C-O 3.58Å; V814-V828 WeakPolarHBondContact CA-O 3.31Å; V814-V828 HydrophobicContact CG2-CB 4.42Å; V814-L830 HydrophobicContact CG1-CB 3.75Å; V814-L830 HydrophobicContact CG1-CD2 4.24Å; V814-V912 HydrophobicContact CB-CB 4.48Å; V814-V912 PolarHBondContact N-O 2.83Å; V814-V912 PolarHBondContact O-N 2.72Å; V814-L914 HydrophobicContact CG2-CD1 3.65Å; V814-L914 HydrophobicContact CG2-CD2 4.41Å; V814-L914 HydrophobicContact CG2-CG 3.91Å |
| 815 | N | 80.2 | Confident | 69.1 | Low | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.9 | 173.4 | -68.6 | -11.7 | 0 | 0 | 0 | 109.7 | V817 V828 G829 L830 I911 | N815-V817 HydrophobicContact CB-CG1 4.06Å; N815-V817 PolarHBondContact O-N 3.43Å; N815-V828 PolarHBondContact N-O 2.81Å; N815-G829 CarbonylContact O-C 3.57Å; N815-G829 WeakPolarHBondContact O-CA 3.28Å; N815-L830 PolarHBondContact O-N 3.42Å; N815-I911 WeakPolarHBondContact OD1-CG1 3.5Å |
| 816 | I | 78.6 | Confident | 69.3 | Low | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.036 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.5 | 168 | -59.8 | 178.6 | 0 | 0 | 0 | 108 | L830 K906 G909 I910 V912 | I816-L830 WeakPolarHBondContact CA-O 3.32Å; I816-K906 HydrophobicContact CD1-CB 3.57Å; I816-K906 HydrophobicContact CD1-CD 3.39Å; I816-K906 HydrophobicContact CD1-CG 4.12Å; I816-G909 PolarHBondContact O-N 3.39Å; I816-I910 PolarHBondContact N-O 2.73Å; I816-V912 HydrophobicContact CD1-CG2 3.86Å; I816-V912 HydrophobicContact CG1-CG2 4.15Å |
| 817 | V | 76 | Confident | 69.9 | Low | 21 Ų | 21 | 65.6 Ų | 65.6 | 13% | 0.127 | 39% | 0.388 | C | S | . | . | trans | -131.2 | 150.4 | -170 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | N815 F821 L830 I831 | N815-V817 HydrophobicContact CB-CG1 4.06Å; N815-V817 PolarHBondContact O-N 3.43Å; V817-F821 HydrophobicContact CB-CB 3.99Å; V817-F821 HydrophobicContact CB-CD1 4.47Å; V817-F821 HydrophobicContact CG1-CB 4.04Å; V817-F821 HydrophobicContact CG2-CB 4.43Å; V817-F821 HydrophobicContact CG2-CD1 4.1Å; V817-F821 HydrophobicContact CG2-CG 4.5Å; V817-L830 PolarHBondContact N-O 3.24Å; V817-I831 HydrophobicContact CG2-CG1 3.89Å | ||
| 818 | D | 69.9 | Low | 70.7 | Confident | 102 Ų | 102 | 58 Ų | 58 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | trans | -88.5 | -174.9 | 165.2 | -61.6 | -51.8 | 0 | 0 | 0 | 111.1 | N820 F821 S908 | D818-N820 PolarHBondContact O-N 3.07Å; D818-F821 WeakPolarHBondContact O-CD1 3Å; D818-S908 PolarHBondContact N-OG 3.25Å; D818-S908 WeakPolarHBondContact OD1-CB 3.06Å; D818-S908 WeakPolarHBondContact OD2-CB 3.18Å; D818-S908 PolarHBondContact OD2-OG 2.03Å | ||
| 819 | E | 64.2 | Low | 71.7 | Confident | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -61.8 | -21.6 | -178.9 | -61.5 | 176.5 | 176.7 | 0 | 0 | 114.7 | K863 T866 | E819-K863 HydrophobicContact CG-CD 4.29Å; E819-K863 VanDerWaalsContact OE1-CE 3.25Å; E819-K863 WeakPolarHBondContact OE1-CE 3.33Å; E819-K863 IonicContact OE1-NZ 3.06Å; E819-K863 PolarHBondContact OE1-NZ 3.15Å; E819-T866 WeakPolarHBondContact O-CB 3.43Å; E819-T866 PolarHBondContact O-N 3.31Å; E819-T866 VanDerWaalsContact O-N 3.16Å; E819-T866 PolarHBondContact O-OG1 3.42Å |
| 820 | N | 62.4 | Low | 72.9 | Confident | 138 Ų | 138 | 50.7 Ų | 50.7 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | B | Isolated β-bridge | trans | -108 | 94.8 | 175.9 | -70 | -7.7 | 0 | 0 | 0 | 109.7 | D818 T866 | D818-N820 PolarHBondContact O-N 3.07Å; N820-T866 PolarHBondContact OD1-OG1 3.05Å |
| 821 | F | 68 | Low | 73.8 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | trans | -122.6 | 155.6 | -178.9 | 59.5 | -109.8 | 0 | 0 | 0 | 113.4 | I721 V817 D818 L823 L865 L868 | I721-F821 HydrophobicContact CD1-CE1 3.68Å; I721-F821 HydrophobicContact CD1-CZ 4.06Å; I721-F821 HydrophobicContact CG2-CZ 4.16Å; V817-F821 HydrophobicContact CB-CB 3.99Å; V817-F821 HydrophobicContact CB-CD1 4.47Å; V817-F821 HydrophobicContact CG1-CB 4.04Å; V817-F821 HydrophobicContact CG2-CB 4.43Å; V817-F821 HydrophobicContact CG2-CD1 4.1Å; V817-F821 HydrophobicContact CG2-CG 4.5Å; D818-F821 WeakPolarHBondContact O-CD1 3Å; F821-L823 HydrophobicContact CD2-CB 3.77Å; F821-L823 HydrophobicContact CD2-CD1 3.71Å; F821-L823 HydrophobicContact CD2-CG 4.05Å; F821-L823 HydrophobicContact CE2-CB 3.98Å; F821-L823 HydrophobicContact CE2-CD1 3.58Å; F821-L823 HydrophobicContact CE2-CG 4.28Å; F821-L823 HydrophobicContact CG-CD1 4.31Å; F821-L823 HydrophobicContact CZ-CD1 4.08Å; F821-L865 HydrophobicContact CE1-CB 4.19Å; F821-L865 HydrophobicContact CE1-CD2 4.38Å; F821-L865 HydrophobicContact CZ-CB 4.2Å; F821-L868 HydrophobicContact CE2-CD2 3.73Å; F821-L868 HydrophobicContact CE2-CG 4.37Å; F821-L868 HydrophobicContact CZ-CD2 4.08Å; F821-L868 HydrophobicContact CZ-CG 4.49Å | ||
| 822 | S | 65.4 | Low | 74.7 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 79% | 0.79 | 26% | 0.261 | S | S | * | . | trans | -117.4 | 70.8 | 167.9 | 49.8 | 0 | 0 | 0 | 0 | 110 | K824 | S822-K824 PolarHBondContact O-N 2.83Š| ||
| 823 | L | 70.6 | Confident | 75.2 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 127.9 | 175.5 | -109.1 | 155.6 | 0 | 0 | 0 | 109.5 | I721 I723 F821 T827 | I721-L823 HydrophobicContact CB-CD1 4Å; I721-L823 HydrophobicContact CG2-CD1 3.74Å; I723-L823 HydrophobicContact CD1-CB 3.87Å; I723-L823 WeakPolarHBondContact CD1-O 3.45Å; I723-L823 HydrophobicContact CG1-CB 4.45Å; F821-L823 HydrophobicContact CD2-CB 3.77Å; F821-L823 HydrophobicContact CD2-CD1 3.71Å; F821-L823 HydrophobicContact CD2-CG 4.05Å; F821-L823 HydrophobicContact CE2-CB 3.98Å; F821-L823 HydrophobicContact CE2-CD1 3.58Å; F821-L823 HydrophobicContact CE2-CG 4.28Å; F821-L823 HydrophobicContact CG-CD1 4.31Å; F821-L823 HydrophobicContact CZ-CD1 4.08Å; L823-T827 VanDerWaalsContact CD2-O 3.27Å; L823-T827 WeakPolarHBondContact CD2-O 3.35Å; L823-T827 WeakPolarHBondContact CD2-OG1 3.19Å |
| 824 | K | 66.8 | Low | 75.3 | Confident | 161 Ų | 161 | 48.4 Ų | 48.4 | 70% | 0.7 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 152.2 | 171.7 | -69.2 | -176.3 | -179.7 | 179.2 | 0 | 109.7 | S822 G826 T827 | S822-K824 PolarHBondContact O-N 2.83Å; K824-G826 PolarHBondContact O-N 3.17Å; K824-T827 PolarHBondContact N-OG1 2.83Å; K824-T827 PolarHBondContact O-N 3.42Å; K824-T827 VanDerWaalsContact O-N 3.15Å; K824-T827 PolarHBondContact O-OG1 3.47Å |
| 825 | S | 65.3 | Low | 74.9 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 49% | 0.49 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 135.6 | 161.5 | -155.3 | 0 | 0 | 0 | 0 | 109.9 | E725 | E725-S825 WeakPolarHBondContact OE1-CB 3.37Å; E725-S825 PolarHBondContact OE1-OG 3.37Å |
| 826 | G | 70.3 | Confident | 73.7 | Confident | 44 Ų | 44 | 56 Ų | 56 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 13.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K824 | K824-G826 PolarHBondContact O-N 3.17Š|
| 827 | T | 78.9 | Confident | 72.3 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | trans | -127.7 | 153.8 | 169.4 | 57.6 | 0 | 0 | 0 | 0 | 112 | P813 L823 K824 | P813-T827 HydrophobicContact CG-CG2 3.9Å; L823-T827 VanDerWaalsContact CD2-O 3.27Å; L823-T827 WeakPolarHBondContact CD2-O 3.35Å; L823-T827 WeakPolarHBondContact CD2-OG1 3.19Å; K824-T827 PolarHBondContact N-OG1 2.83Å; K824-T827 PolarHBondContact O-N 3.42Å; K824-T827 VanDerWaalsContact O-N 3.15Å; K824-T827 PolarHBondContact O-OG1 3.47Å | ||
| 828 | V | 81.4 | Confident | 70.3 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | W720 L812 P813 V814 N815 | W720-V828 HydrophobicContact CE3-CG1 4.12Å; L812-V828 HydrophobicContact CB-CG2 3.91Å; L812-V828 HydrophobicContact CD1-CG2 3.92Å; P813-V828 PolarHBondContact O-N 3.19Å; V814-V828 CarbonylContact C-O 3.58Å; V814-V828 WeakPolarHBondContact CA-O 3.31Å; V814-V828 HydrophobicContact CG2-CB 4.42Å; N815-V828 PolarHBondContact N-O 2.81Å |
| 829 | G | 85.6 | Confident | 68.5 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 148.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W720 I721 N815 | W720-G829 CarbonylContact C-O 3.56Å; W720-G829 VanDerWaalsContact CA-O 3.31Å; W720-G829 WeakPolarHBondContact CA-O 3.35Å; I721-G829 PolarHBondContact N-O 3.48Å; I721-G829 PolarHBondContact O-N 2.93Å; N815-G829 CarbonylContact O-C 3.57Å; N815-G829 WeakPolarHBondContact O-CA 3.28Å |
| 830 | L | 87.2 | Confident | 67.1 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.4 | 171.2 | 174.7 | 61.6 | 0 | 0 | 0 | 110.3 | L718 I719 W720 V814 N815 I816 V817 V832 W921 | L718-L830 HydrophobicContact CB-CD1 4.1Å; L718-L830 HydrophobicContact CD2-CD1 4.37Å; I719-L830 WeakPolarHBondContact O-CA 3.46Å; W720-L830 HydrophobicContact CD2-CD1 3.89Å; W720-L830 HydrophobicContact CE3-CB 4.44Å; W720-L830 HydrophobicContact CE3-CD1 4.2Å; W720-L830 HydrophobicContact CG-CD1 4.25Å; W720-L830 HydrophobicContact CH2-CD2 4.26Å; W720-L830 HydrophobicContact CZ2-CD1 4.31Å; W720-L830 HydrophobicContact CZ3-CD2 4.33Å; V814-L830 HydrophobicContact CG1-CB 3.75Å; V814-L830 HydrophobicContact CG1-CD2 4.24Å; N815-L830 PolarHBondContact O-N 3.42Å; I816-L830 WeakPolarHBondContact CA-O 3.32Å; V817-L830 PolarHBondContact N-O 3.24Å; L830-V832 HydrophobicContact CG-CG2 4.42Å; L830-W921 HydrophobicContact CD2-CH2 3.55Å; L830-W921 HydrophobicContact CD2-CZ2 3.88Å |
| 831 | I | 86.8 | Confident | 65.6 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.6 | 168.5 | -55.4 | 177.4 | 0 | 0 | 0 | 108.3 | I719 I721 V817 K863 L865 | I719-I831 HydrophobicContact CB-CB 4.23Å; I719-I831 PolarHBondContact N-O 2.83Å; I719-I831 PolarHBondContact O-N 3.27Å; I721-I831 HydrophobicContact CD1-CD1 3.71Å; I721-I831 HydrophobicContact CD1-CG1 4.03Å; V817-I831 HydrophobicContact CG2-CG1 3.89Å; I831-K863 HydrophobicContact CD1-CG 4.42Å; I831-L865 HydrophobicContact CD1-CD2 3.65Å |
| 832 | V | 86 | Confident | 63.7 | Low | 44 Ų | 44 | 76.4 Ų | 76.4 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 103.1 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | T716 L718 L830 W903 | T716-V832 HydrophobicContact CG2-CG1 3.98Å; L718-V832 HydrophobicContact CD2-CB 4.25Å; L718-V832 HydrophobicContact CD2-CG1 3.98Å; L718-V832 HydrophobicContact CD2-CG2 3.85Å; L830-V832 HydrophobicContact CG-CG2 4.42Å; V832-W903 HydrophobicContact CG2-CB 4.09Å |
| 833 | Q | 84.3 | Confident | 62.1 | Low | 33 Ų | 33 | 76.1 Ų | 76.1 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 108.6 | -177.5 | 178.5 | 59.5 | 58.6 | 0 | 0 | 109.8 | W704 T716 Y717 I719 K863 | W704-Q833 HydrophobicContact CH2-CG 4.42Å; W704-Q833 HydrophobicContact CZ2-CG 4.46Å; T716-Q833 WeakPolarHBondContact CA-O 3.5Å; Y717-Q833 PolarHBondContact N-O 2.87Å; Y717-Q833 PolarHBondContact O-N 3.49Å; I719-Q833 HydrophobicContact CD1-CB 4.2Å; Q833-K863 VanDerWaalsContact OE1-CE 3.28Å |
| 834 | K | 77.8 | Confident | 60.1 | Low | 92 Ų | 92 | 77.3 Ų | 77.3 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 141.3 | 169.8 | -80.5 | -168.5 | 166.6 | -87.6 | 0 | 110.9 | D715 T716 F836 | D715-K834 IonicContact OD1-NZ 3.22Å; D715-K834 PolarHBondContact OD1-NZ 3Å; T716-K834 HydrophobicContact CG2-CB 4.47Å; T716-K834 HydrophobicContact CG2-CG 3.75Å; K834-F836 HydrophobicContact CB-CE2 4.44Å; K834-F836 WeakPolarHBondContact O-CD2 3.4Å |
| 835 | N | 67.5 | Low | 58.3 | Low | 38 Ų | 38 | 79 Ų | 79 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | trans | -78.9 | 123.6 | 168.7 | 179.1 | 18.7 | 0 | 0 | 0 | 108.9 | I714 D715 Y717 S837 | I714-N835 WeakPolarHBondContact O-CB 2.91Å; I714-N835 PolarHBondContact O-ND2 3Å; D715-N835 WeakPolarHBondContact O-CB 3.31Å; D715-N835 PolarHBondContact O-N 3.1Å; Y717-N835 HydrophobicContact CE2-CB 4.5Å; N835-S837 VanDerWaalsContact C-N 3.35Å; N835-S837 PolarHBondContact ND2-OG 2.89Å; N835-S837 WeakPolarHBondContact OD1-CB 3.05Å; N835-S837 PolarHBondContact OD1-N 3.33Å; N835-S837 PolarHBondContact OD1-OG 3.27Å | ||
| 836 | F | 55.5 | Low | 56.6 | Low | 160 Ų | 160 | 84.2 Ų | 84.2 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | trans | -91.7 | 10.6 | -176.1 | -82.5 | -88.4 | 0 | 0 | 0 | 113.8 | K834 T838 | K834-F836 HydrophobicContact CB-CE2 4.44Å; K834-F836 WeakPolarHBondContact O-CD2 3.4Å; F836-T838 PolarHBondContact O-N 2.96Å | ||
| 837 | S | 48.1 | Very low | 54.7 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | trans | -73.5 | 39.7 | -174.5 | 76.4 | 0 | 0 | 0 | 0 | 115.4 | N835 Y839 F840 | N835-S837 VanDerWaalsContact C-N 3.35Å; N835-S837 PolarHBondContact ND2-OG 2.89Å; N835-S837 WeakPolarHBondContact OD1-CB 3.05Å; N835-S837 PolarHBondContact OD1-N 3.33Å; N835-S837 PolarHBondContact OD1-OG 3.27Å; S837-Y839 PolarHBondContact O-N 2.92Å; S837-Y839 VanDerWaalsContact O-N 3.11Å; S837-F840 PolarHBondContact O-N 2.82Å | ||
| 838 | T | 34.5 | Very low | 52.4 | Low | 123 Ų | 123 | 95.2 Ų | 95.2 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -4 | -179 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | F836 | F836-T838 PolarHBondContact O-N 2.96Š|
| 839 | Y | 31.5 | Very low | 50 | Low | 212 Ų | 212 | 100.2 Ų | 100.2 | 83% | 0.831 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.4 | 177.4 | -97.4 | -92 | 0 | 0 | 0 | 115.3 | S837 K841 | S837-Y839 PolarHBondContact O-N 2.92Å; S837-Y839 VanDerWaalsContact O-N 3.11Å; Y839-K841 PolarHBondContact O-N 3.45Å |
| 840 | F | 34.7 | Very low | 47.4 | Very low | 114 Ų | 114 | 106.6 Ų | 106.6 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 46.9 | -179.8 | -84.9 | -91.4 | 0 | 0 | 0 | 113.9 | S837 D842 I843 | S837-F840 PolarHBondContact O-N 2.82Å; F840-D842 VanDerWaalsContact C-N 3.26Å; F840-I843 HydrophobicContact CD1-CB 4.04Å; F840-I843 HydrophobicContact CD1-CD1 4.14Å; F840-I843 HydrophobicContact CE1-CB 4Å; F840-I843 HydrophobicContact CE1-CD1 3.55Å; F840-I843 HydrophobicContact CE1-CG1 4.38Å; F840-I843 HydrophobicContact CE1-CG2 4.18Å; F840-I843 HydrophobicContact CZ-CD1 4.22Å |
| 841 | K | 30.6 | Very low | 44.7 | Very low | 207 Ų | 207 | 114.1 Ų | 114.1 | 90% | 0.9 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -12.2 | 160.4 | -79.1 | -173.5 | 174.3 | 178.7 | 0 | 112.7 | Y839 | Y839-K841 PolarHBondContact O-N 3.45Š|
| 842 | D | 28.5 | Very low | 42.1 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | trans | -127.5 | 115.9 | 169.8 | -90.7 | -69.9 | 0 | 0 | 0 | 109.6 | K600 F840 | K600-D842 WeakPolarHBondContact CE-OD1 3.47Å; K600-D842 IonicContact NZ-OD1 3.65Å; K600-D842 PolarHBondContact NZ-OD1 2.88Å; F840-D842 VanDerWaalsContact C-N 3.26Å | ||
| 843 | I | 32.2 | Very low | 39.3 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 55% | 0.549 | 61% | 0.608 | S | S | . | * | trans | 179.6 | 82.3 | 142.4 | -91.6 | 151.7 | 0 | 0 | 0 | 107.9 | F840 Y845 F846 | F840-I843 HydrophobicContact CD1-CB 4.04Å; F840-I843 HydrophobicContact CD1-CD1 4.14Å; F840-I843 HydrophobicContact CE1-CB 4Å; F840-I843 HydrophobicContact CE1-CD1 3.55Å; F840-I843 HydrophobicContact CE1-CG1 4.38Å; F840-I843 HydrophobicContact CE1-CG2 4.18Å; F840-I843 HydrophobicContact CZ-CD1 4.22Å; I843-Y845 PolarHBondContact O-N 3.5Å; I843-F846 HydrophobicContact CG2-CD2 4.34Å | ||
| 844 | S | 27.8 | Very low | 36.5 | Very low | 46 Ų | 46 | 127.6 Ų | 127.6 | 32% | 0.322 | 64% | 0.639 | S | S | . | * | trans | -89.1 | 37.3 | 175.4 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | K600 | K600-S844 VanDerWaalsContact CD-OG 3.22Å; K600-S844 WeakPolarHBondContact CD-OG 3.38Å; K600-S844 VanDerWaalsContact CE-OG 3.28Å; K600-S844 WeakPolarHBondContact CE-OG 3.28Å; K600-S844 WeakPolarHBondContact CG-OG 3.23Å | ||
| 845 | Y | 30.5 | Very low | 34.2 | Very low | 197 Ų | 197 | 128.9 Ų | 128.9 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -120.2 | 18.5 | -153.8 | -130.5 | -88.1 | 0 | 0 | 0 | 114.8 | I843 | I843-Y845 PolarHBondContact O-N 3.5Š| ||
| 846 | F | 28.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | trans | -118.9 | 58.4 | 178.4 | -82.2 | -76.5 | 0 | 0 | 0 | 112.7 | I843 | I843-F846 HydrophobicContact CG2-CD2 4.34Š| ||
| 847 | Q | 30.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -144.1 | 155 | 158.2 | -103.9 | 165.4 | 9.9 | 0 | 0 | 109.2 | ||
| 848 | T | 30.3 | Very low | 31 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 90% | 0.896 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 55 | 50.5 | 176.1 | 62.6 | 0 | 0 | 0 | 0 | 118.1 | ||
| 849 | N | 31.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | trans | -142.4 | 108.3 | 145.5 | -176.8 | 9.1 | 0 | 0 | 0 | 111.3 | Q851 | N849-Q851 PolarHBondContact ND2-O 2.67Å; N849-Q851 PolarHBondContact O-N 3.32Å; N849-Q851 PolarHBondContact OD1-N 2.96Å; N849-Q851 PolarHBondContact OD1-O 2.87Å | ||
| 850 | P | 29.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 87% | 0.87 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -69.1 | -6.4 | 176.1 | -19.7 | 33.3 | 0 | 0 | 0 | 115 | ||
| 851 | Q | 31.2 | Very low | 35 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -138.5 | 80.7 | -174.5 | -65.7 | -176 | -6.6 | 0 | 0 | 111.9 | N849 | N849-Q851 PolarHBondContact ND2-O 2.67Å; N849-Q851 PolarHBondContact O-N 3.32Å; N849-Q851 PolarHBondContact OD1-N 2.96Å; N849-Q851 PolarHBondContact OD1-O 2.87Å |
| 852 | K | 31.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 175.9 | 158.9 | 134.5 | -99.2 | 165.2 | -176.7 | -164.2 | 0 | 114.6 | D163 | D163-K852 IonicContact OD1-NZ 2.75Å; D163-K852 WeakPolarHBondContact OD2-CE 3.46Å; D163-K852 IonicContact OD2-NZ 3.59Å; D163-K852 PolarHBondContact OD2-NZ 2.84Å |
| 853 | T | 28.9 | Very low | 40.3 | Very low | 115 Ų | 115 | 114 Ų | 114 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | 48.9 | 82 | 159.6 | 51.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 854 | C | 25.7 | Very low | 42.9 | Very low | 120 Ų | 120 | 113.6 Ų | 113.6 | 81% | 0.811 | 59% | 0.588 | S | S | * | * | trans | -58.7 | 142.6 | 146.8 | -91.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 855 | I | 28.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 61% | 0.61 | 57% | 0.573 | S | S | * | * | trans | 75.3 | 65.8 | 149.3 | -57.8 | 163 | 0 | 0 | 0 | 115.9 | V858 | I855-V858 HydrophobicContact CG2-CG2 3.09Š| ||
| 856 | Q | 31.4 | Very low | 48.3 | Very low | 205 Ų | 205 | 103.7 Ų | 103.7 | 96% | 0.958 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -57.1 | -37 | 156 | -90.4 | -169.1 | -14.3 | 0 | 0 | 118 | ||
| 857 | S | 32.5 | Very low | 50.8 | Low | 71 Ų | 71 | 97.5 Ų | 97.5 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | trans | -134.4 | 21 | -141.5 | 54.8 | 0 | 0 | 0 | 0 | 116.7 | N859 | S857-N859 VanDerWaalsContact C-N 3.26Å; S857-N859 PolarHBondContact O-N 2.93Å | ||
| 858 | V | 38.6 | Very low | 53.3 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -56.1 | -40.5 | -176.9 | -165.5 | 0 | 0 | 0 | 0 | 112.6 | T703 I855 E860 N861 V862 | T703-V858 HydrophobicContact CG2-CG1 3.98Å; I855-V858 HydrophobicContact CG2-CG2 3.09Å; V858-E860 PolarHBondContact O-N 3.42Å; V858-N861 PolarHBondContact O-N 3.44Å; V858-V862 HydrophobicContact CG1-CG2 4.13Å |
| 859 | N | 46.4 | Very low | 55.8 | Low | 156 Ų | 156 | 87 Ų | 87 | 83% | 0.834 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -59.8 | -17.9 | -166.6 | -69.2 | -1.6 | 0 | 0 | 0 | 114.9 | S857 | S857-N859 VanDerWaalsContact C-N 3.26Å; S857-N859 PolarHBondContact O-N 2.93Å |
| 860 | E | 61.1 | Low | 58.2 | Low | 106 Ų | 106 | 83.8 Ų | 83.8 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -86.6 | -18 | -179.6 | -63.3 | -178.8 | 178.7 | 0 | 0 | 113.5 | V858 | V858-E860 PolarHBondContact O-N 3.42Š|
| 861 | N | 79 | Confident | 60.9 | Low | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -120.1 | 49.8 | -175.2 | -64.5 | -82.4 | 0 | 0 | 0 | 111.8 | T703 W704 V858 | T703-N861 WeakPolarHBondContact CA-O 3.25Å; W704-N861 HydrophobicContact CD2-CB 4.03Å; W704-N861 HydrophobicContact CG-CB 4.17Å; W704-N861 HydrophobicContact CZ2-CB 4.17Å; W704-N861 PolarHBondContact N-O 2.77Å; W704-N861 PolarHBondContact NE1-OD1 3.5Å; W704-N861 WeakPolarHBondContact O-CB 3.32Å; V858-N861 PolarHBondContact O-N 3.44Å |
| 862 | V | 83 | Confident | 63.3 | Low | 37 Ų | 37 | 71.6 Ų | 71.6 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.3 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | R701 L702 T703 V858 Y864 | R701-V862 HydrophobicContact CG-CG1 3.73Å; L702-V862 CarbonylContact O-C 3.51Å; L702-V862 WeakPolarHBondContact O-CA 3.42Å; T703-V862 HydrophobicContact CG2-CG2 4.03Å; V858-V862 HydrophobicContact CG1-CG2 4.13Å; V862-Y864 HydrophobicContact CG1-CE2 4.07Å |
| 863 | K | 85.8 | Confident | 65.9 | Low | 25 Ų | 25 | 69.4 Ų | 69.4 | 11% | 0.109 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.5 | 174 | -160.8 | 61.5 | 162.5 | -179.4 | 0 | 111.2 | L702 W704 I719 E819 I831 Q833 L865 | L702-K863 PolarHBondContact N-O 2.89Å; L702-K863 PolarHBondContact O-N 2.99Å; W704-K863 HydrophobicContact CH2-CB 4.17Å; W704-K863 HydrophobicContact CZ3-CB 3.93Å; I719-K863 HydrophobicContact CD1-CB 4.29Å; I719-K863 HydrophobicContact CD1-CG 4.3Å; E819-K863 HydrophobicContact CG-CD 4.29Å; E819-K863 VanDerWaalsContact OE1-CE 3.25Å; E819-K863 WeakPolarHBondContact OE1-CE 3.33Å; E819-K863 IonicContact OE1-NZ 3.06Å; E819-K863 PolarHBondContact OE1-NZ 3.15Å; I831-K863 HydrophobicContact CD1-CG 4.42Å; Q833-K863 VanDerWaalsContact OE1-CE 3.28Å; K863-L865 HydrophobicContact CG-CD2 4.47Å |
| 864 | Y | 87.4 | Confident | 68.6 | Low | 99 Ų | 99 | 64 Ų | 64 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.8 | 175.1 | -66.7 | -84.3 | 0 | 0 | 0 | 110.4 | V695 R701 V862 | V695-Y864 HydrophobicContact CG2-CD1 4.24Å; V695-Y864 HydrophobicContact CG2-CE1 4.1Å; R701-Y864 HydrophobicContact CB-CD1 4Å; R701-Y864 HydrophobicContact CB-CE1 3.82Å; R701-Y864 HydrophobicContact CG-CD1 4.32Å; R701-Y864 HydrophobicContact CG-CE1 3.89Å; V862-Y864 HydrophobicContact CG1-CE2 4.07Å |
| 865 | L | 87.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.5 | 177.2 | -50.7 | -174.5 | 0 | 0 | 0 | 108 | L692 S699 L700 I721 F821 I831 K863 L868 V876 | L692-L865 HydrophobicContact CD1-CD1 4.09Å; S699-L865 CarbonylContact C-O 3.52Å; S699-L865 WeakPolarHBondContact CA-O 3.43Å; S699-L865 WeakPolarHBondContact CB-O 3.43Å; L700-L865 PolarHBondContact N-O 3.17Å; L700-L865 PolarHBondContact O-N 3.36Å; I721-L865 HydrophobicContact CD1-CD1 4.06Å; I721-L865 HydrophobicContact CD1-CD2 3.71Å; I721-L865 HydrophobicContact CD1-CG 4.46Å; I721-L865 HydrophobicContact CG1-CD1 4.43Å; F821-L865 HydrophobicContact CE1-CB 4.19Å; F821-L865 HydrophobicContact CE1-CD2 4.38Å; F821-L865 HydrophobicContact CZ-CB 4.2Å; I831-L865 HydrophobicContact CD1-CD2 3.65Å; K863-L865 HydrophobicContact CG-CD2 4.47Å; L865-L868 HydrophobicContact CB-CD1 4.47Å; L865-V876 HydrophobicContact CD1-CG2 3.77Å |
| 866 | T | 85.8 | Confident | 74.2 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -119.9 | 174.6 | -174 | 83.4 | 0 | 0 | 0 | 0 | 112.3 | E819 N820 L868 | E819-T866 WeakPolarHBondContact O-CB 3.43Å; E819-T866 PolarHBondContact O-N 3.31Å; E819-T866 VanDerWaalsContact O-N 3.16Å; E819-T866 PolarHBondContact O-OG1 3.42Å; N820-T866 PolarHBondContact OD1-OG1 3.05Å; T866-L868 VanDerWaalsContact C-N 3.29Å; T866-L868 PolarHBondContact O-N 3.34Å |
| 867 | G | 79.6 | Confident | 76.9 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 81.5 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N698 | N698-G867 PolarHBondContact O-N 2.83Š|
| 868 | L | 84.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 155.2 | 178.9 | -59.2 | 165.7 | 0 | 0 | 0 | 111 | N698 L700 I723 F821 L865 T866 V874 V939 | N698-L868 WeakPolarHBondContact CA-O 3.46Å; N698-L868 PolarHBondContact ND2-O 3.11Å; N698-L868 PolarHBondContact O-N 3.39Å; N698-L868 VanDerWaalsContact O-N 3.14Å; L700-L868 HydrophobicContact CB-CD1 4.5Å; L700-L868 HydrophobicContact CD1-CD1 3.95Å; L700-L868 HydrophobicContact CG-CD1 3.77Å; I723-L868 HydrophobicContact CD1-CD2 4.5Å; F821-L868 HydrophobicContact CE2-CD2 3.73Å; F821-L868 HydrophobicContact CE2-CG 4.37Å; F821-L868 HydrophobicContact CZ-CD2 4.08Å; F821-L868 HydrophobicContact CZ-CG 4.49Å; L865-L868 HydrophobicContact CB-CD1 4.47Å; T866-L868 VanDerWaalsContact C-N 3.29Å; T866-L868 PolarHBondContact O-N 3.34Å; L868-V874 HydrophobicContact CD1-CG2 3.86Å; L868-V874 HydrophobicContact CD2-CG2 3.72Å; L868-V874 HydrophobicContact CG-CG2 4.4Å; L868-V939 HydrophobicContact CB-CG2 3.72Å; L868-V939 HydrophobicContact CD1-CG2 3.72Å; L868-V939 HydrophobicContact CG-CG2 4.34Å |
| 869 | S | 81.5 | Confident | 82 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 52% | 0.524 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 151.2 | 172.8 | -73 | 0 | 0 | 0 | 0 | 111.5 | T872 | S869-T872 VanDerWaalsContact CB-OG1 3.32Å; S869-T872 WeakPolarHBondContact CB-OG1 3.47Å; S869-T872 VanDerWaalsContact O-CB 3.25Å; S869-T872 WeakPolarHBondContact O-CB 3.13Å; S869-T872 PolarHBondContact O-N 3.37Å; S869-T872 PolarHBondContact O-OG1 3.04Å |
| 870 | P | 83.5 | Confident | 84 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 29% | 0.286 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 146.9 | 174.5 | -24.6 | 32.9 | 0 | 0 | 0 | 112.1 | K697 T872 H942 | K697-P870 HydrophobicContact CB-CG 4.44Å; K697-P870 WeakPolarHBondContact O-CA 3.2Å; K697-P870 WeakPolarHBondContact O-CG 3.45Å; P870-T872 PolarHBondContact O-N 2.96Å; P870-T872 PolarHBondContact O-OG1 3.14Å; P870-H942 HydrophobicContact CB-CB 3.86Å; P870-H942 HydrophobicContact CG-CB 4.07Å |
| 871 | F | 84.7 | Confident | 85.3 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.022 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 15.5 | 179.4 | -147.5 | -105.3 | 0 | 0 | 0 | 116 | W748 R938 V939 N940 P941 N974 L1075 A1076 | W748-F871 AromaticContact CD2-CE2 3.8Å; W748-F871 HydrophobicContact CD2-CE2 3.8Å; W748-F871 AromaticContact CE2-CE2 3.41Å; W748-F871 VanDerWaalsContact CE2-CE2 3.41Å; W748-F871 AromaticContact CE2-CZ 3.88Å; W748-F871 HydrophobicContact CE3-CE2 4.35Å; W748-F871 HydrophobicContact CG-CE2 4.24Å; W748-F871 HydrophobicContact CH2-CE2 4.24Å; W748-F871 AromaticContact CZ2-CE2 3.67Å; W748-F871 HydrophobicContact CZ2-CE2 3.67Å; W748-F871 HydrophobicContact CZ2-CZ 4.02Å; W748-F871 AromaticContact NE1-CE2 3.6Å; W748-F871 AromaticContact NE1-CZ 3.76Å; F871-R938 VanDerWaalsContact CE1-CZ 3.46Å; F871-R938 VanDerWaalsContact CZ-CD 3.48Å; F871-R938 VanDerWaalsContact O-CD 3.29Å; F871-R938 WeakPolarHBondContact O-CD 3.42Å; F871-R938 WeakPolarHBondContact O-CG 3.48Å; F871-R938 PolarHBondContact O-NH1 3.17Å; F871-V939 VanDerWaalsContact CA-O 3.27Å; F871-V939 WeakPolarHBondContact CA-O 3.41Å; F871-V939 PolarHBondContact N-O 3.16Å; F871-N940 PolarHBondContact N-O 2.93Å; F871-N940 VanDerWaalsContact N-O 3.14Å; F871-P941 HydrophobicContact CD2-CB 3.8Å; F871-P941 HydrophobicContact CD2-CG 4.4Å; F871-P941 HydrophobicContact CE2-CB 4.42Å; F871-N974 HydrophobicContact CB-CB 4.03Å; F871-N974 VanDerWaalsContact CD1-C 3.49Å; F871-N974 HydrophobicContact CD1-CB 4.31Å; F871-N974 HydrophobicContact CD2-CB 4.15Å; F871-N974 HydrophobicContact CG-CB 3.89Å; F871-L1075 HydrophobicContact CD1-CB 4.44Å; F871-L1075 HydrophobicContact CE1-CB 3.55Å; F871-L1075 VanDerWaalsContact CZ-C 3.43Å; F871-L1075 HydrophobicContact CZ-CB 4.12Å; F871-L1075 WeakPolarHBondContact CZ-O 3.38Å; F871-A1076 HydrophobicContact CD2-CB 3.94Å; F871-A1076 HydrophobicContact CE2-CB 3.53Å; F871-A1076 HydrophobicContact CZ-CB 4.01Å |
| 872 | T | 83 | Confident | 85.6 | Confident | 31 Ų | 31 | 25.1 Ų | 25.1 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | trans | -85.9 | 139.8 | -177.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | I723 S869 P870 R938 V939 | I723-T872 HydrophobicContact CG2-CG2 3.65Å; S869-T872 VanDerWaalsContact CB-OG1 3.32Å; S869-T872 WeakPolarHBondContact CB-OG1 3.47Å; S869-T872 VanDerWaalsContact O-CB 3.25Å; S869-T872 WeakPolarHBondContact O-CB 3.13Å; S869-T872 PolarHBondContact O-N 3.37Å; S869-T872 PolarHBondContact O-OG1 3.04Å; P870-T872 PolarHBondContact O-N 2.96Å; P870-T872 PolarHBondContact O-OG1 3.14Å; T872-R938 CarbonylContact O-C 3.59Å; T872-R938 VanDerWaalsContact O-CA 3.29Å; T872-R938 WeakPolarHBondContact O-CA 3.43Å; T872-R938 WeakPolarHBondContact O-CG 3.5Å; T872-V939 PolarHBondContact O-N 2.71Å | ||
| 873 | R | 84.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 27 Ų | 27 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 140.8 | 174.3 | -69.4 | 166.5 | 71.7 | 175.8 | 0.6 | 110.8 | L724 D726 R938 | L724-R873 HydrophobicContact CB-CB 3.88Å; L724-R873 PolarHBondContact N-O 3.26Å; L724-R873 WeakPolarHBondContact O-CB 3.32Å; D726-R873 WeakPolarHBondContact OD1-CD 3.44Å; D726-R873 IonicContact OD1-NH1 3.82Å; D726-R873 PolarHBondContact OD1-NH1 3.18Å; D726-R873 VanDerWaalsContact OD1-NH1 3.17Å; R873-R938 HydrophobicContact CG-CB 4.15Å; R873-R938 HydrophobicContact CG-CG 4.14Å |
| 874 | V | 85.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.6 | 177.4 | -174 | 0 | 0 | 0 | 0 | 109.1 | L700 I721 L868 V876 I936 N937 | L700-V874 HydrophobicContact CD1-CB 3.75Å; L700-V874 HydrophobicContact CD1-CG1 4.4Å; L700-V874 HydrophobicContact CD1-CG2 3.81Å; I721-V874 HydrophobicContact CG2-CG1 3.7Å; L868-V874 HydrophobicContact CD1-CG2 3.86Å; L868-V874 HydrophobicContact CD2-CG2 3.72Å; L868-V874 HydrophobicContact CG-CG2 4.4Å; V874-V876 HydrophobicContact CG1-CG2 4.01Å; V874-I936 WeakPolarHBondContact O-CA 3.44Å; V874-N937 PolarHBondContact N-O 3.05Å; V874-N937 PolarHBondContact O-N 3.42Å; V874-N937 VanDerWaalsContact O-N 3.12Å |
| 875 | L | 85.7 | Confident | 83.6 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.2 | 167.1 | -179.2 | 154 | 0 | 0 | 0 | 108.7 | R722 L724 W803 E877 T934 V935 I936 | R722-L875 PolarHBondContact N-O 3.02Å; R722-L875 PolarHBondContact O-N 3.12Å; L724-L875 HydrophobicContact CD1-CB 4.08Å; L724-L875 HydrophobicContact CG-CB 4.23Å; W803-L875 HydrophobicContact CE3-CD1 4.44Å; W803-L875 HydrophobicContact CE3-CD2 4.35Å; L875-E877 HydrophobicContact CD2-CG 4.09Å; L875-T934 HydrophobicContact CD1-CG2 4.5Å; L875-T934 HydrophobicContact CD2-CG2 4.4Å; L875-T934 HydrophobicContact CG-CG2 4.28Å; L875-V935 WeakPolarHBondContact CA-O 3.08Å; L875-I936 HydrophobicContact CB-CG1 4.09Å; L875-I936 HydrophobicContact CD1-CD1 3.96Å; L875-I936 HydrophobicContact CD1-CG1 4.11Å; L875-I936 HydrophobicContact CG-CD1 4.41Å; L875-I936 HydrophobicContact CG-CG1 3.99Å |
| 876 | V | 87.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.5 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | L692 L702 I719 W720 L865 V874 T934 V935 | L692-V876 HydrophobicContact CD1-CG2 4.28Å; L692-V876 HydrophobicContact CD2-CB 4.47Å; L692-V876 HydrophobicContact CD2-CG2 3.73Å; L702-V876 HydrophobicContact CD1-CG1 4.17Å; L702-V876 HydrophobicContact CD2-CG1 4Å; I719-V876 HydrophobicContact CG2-CG1 3.55Å; W720-V876 CarbonylContact O-C 3.57Å; W720-V876 WeakPolarHBondContact O-CA 3.32Å; W720-V876 WeakPolarHBondContact O-CG1 3.2Å; L865-V876 HydrophobicContact CD1-CG2 3.77Å; V874-V876 HydrophobicContact CG1-CG2 4.01Å; V876-T934 WeakPolarHBondContact O-CA 3.28Å; V876-V935 HydrophobicContact CB-CG2 3.86Å; V876-V935 PolarHBondContact N-O 3.41Å; V876-V935 PolarHBondContact O-N 2.89Å |
| 877 | E | 87.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.2 | 165.7 | -55.6 | 174.3 | 118.3 | 0 | 0 | 109 | I719 W720 S801 W803 L875 R932 S933 | I719-E877 CarbonylContact C-O 3.58Å; I719-E877 WeakPolarHBondContact CA-O 3.48Å; W720-E877 HydrophobicContact CB-CB 4.02Å; W720-E877 HydrophobicContact CG-CB 4.3Å; W720-E877 PolarHBondContact N-O 3.01Å; W720-E877 PolarHBondContact O-N 2.95Å; S801-E877 WeakPolarHBondContact CB-OE1 3.34Å; S801-E877 PolarHBondContact OG-OE1 3.35Å; W803-E877 HydrophobicContact CE3-CG 4.05Å; W803-E877 VanDerWaalsContact CE3-OE1 3.26Å; W803-E877 HydrophobicContact CZ3-CG 3.8Å; W803-E877 WeakPolarHBondContact CZ3-OE1 3.21Å; L875-E877 HydrophobicContact CD2-CG 4.09Å; E877-R932 HydrophobicContact CB-CB 4.18Å; E877-R932 HydrophobicContact CB-CG 4.42Å; E877-R932 VanDerWaalsContact OE1-CD 3.28Å; E877-R932 WeakPolarHBondContact OE1-CD 3.44Å; E877-R932 IonicContact OE1-NH1 2.68Å; E877-R932 WeakPolarHBondContact OE2-CD 3.37Å; E877-R932 IonicContact OE2-CZ 3.63Å; E877-R932 IonicContact OE2-NE 3.4Å; E877-R932 IonicContact OE2-NH1 3.31Å; E877-R932 PolarHBondContact OE2-NH1 2.02Å; E877-S933 CarbonylContact C-O 3.58Å; E877-S933 WeakPolarHBondContact CA-O 3.32Å |
| 878 | I | 88.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.4 | 171.4 | -169.5 | 176.3 | 0 | 0 | 0 | 111.4 | P687 P690 L702 W704 Y717 L718 I719 S933 | P687-I878 HydrophobicContact CB-CG2 4.08Å; P687-I878 HydrophobicContact CG-CG1 4.16Å; P687-I878 HydrophobicContact CG-CG2 4.09Å; P690-I878 HydrophobicContact CB-CG2 4.02Å; P690-I878 HydrophobicContact CG-CG2 4.47Å; L702-I878 HydrophobicContact CD2-CD1 4.5Å; W704-I878 HydrophobicContact CB-CD1 4.41Å; W704-I878 HydrophobicContact CD2-CD1 3.45Å; W704-I878 VanDerWaalsContact CD2-CD1 3.45Å; W704-I878 HydrophobicContact CE3-CD1 3.83Å; W704-I878 HydrophobicContact CG-CD1 3.71Å; W704-I878 HydrophobicContact CZ2-CD1 4.22Å; W704-I878 HydrophobicContact CZ3-CD1 4.37Å; Y717-I878 HydrophobicContact CD1-CD1 4.14Å; Y717-I878 HydrophobicContact CD1-CG1 4.39Å; Y717-I878 HydrophobicContact CG-CD1 4.49Å; L718-I878 WeakPolarHBondContact O-CA 3.3Å; I719-I878 HydrophobicContact CD1-CD1 4.4Å; I719-I878 HydrophobicContact CG1-CB 4.47Å; I719-I878 HydrophobicContact CG1-CD1 3.85Å; I719-I878 HydrophobicContact CG1-CG1 3.84Å; I878-S933 PolarHBondContact N-O 2.93Å; I878-S933 PolarHBondContact O-N 3.17Å |
| 879 | Q | 89.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.8 | 172.5 | 60 | -164.7 | 11.2 | 0 | 0 | 110.3 | Y717 L718 E925 S930 R932 | Y717-Q879 CarbonylContact C-O 3.49Å; Y717-Q879 VanDerWaalsContact CA-O 3.28Å; Y717-Q879 WeakPolarHBondContact CA-O 3.42Å; L718-Q879 HydrophobicContact CB-CG 3.77Å; L718-Q879 HydrophobicContact CD1-CG 4.36Å; L718-Q879 HydrophobicContact CG-CG 4.49Å; L718-Q879 PolarHBondContact N-O 3.39Å; L718-Q879 PolarHBondContact O-N 2.87Å; Q879-E925 PolarHBondContact NE2-OE1 3.12Å; Q879-E925 PolarHBondContact OE1-OE1 3.38Å; Q879-S930 WeakPolarHBondContact CB-O 3.38Å; Q879-R932 HydrophobicContact CB-CG 4.19Å; Q879-R932 HydrophobicContact CG-CG 4.44Å; Q879-R932 VanDerWaalsContact OE1-NE 3.11Å |
| 880 | A | 88.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P684 P687 P707 I714 Y717 C929 S930 | P684-A880 HydrophobicContact CG-CB 4.46Å; P684-A880 WeakPolarHBondContact CG-O 3.23Å; P687-A880 HydrophobicContact CG-CB 4.22Å; P707-A880 HydrophobicContact CG-CB 3.62Å; I714-A880 HydrophobicContact CD1-CB 4.35Å; I714-A880 HydrophobicContact CG2-CB 4.08Å; Y717-A880 HydrophobicContact CD1-CB 3.81Å; Y717-A880 HydrophobicContact CE1-CB 3.68Å; A880-C929 CarbonylContact O-C 3.56Å; A880-C929 VanDerWaalsContact O-CA 3.26Å; A880-C929 WeakPolarHBondContact O-CA 3.44Å; A880-S930 PolarHBondContact N-OG 2.93Å; A880-S930 PolarHBondContact O-N 3.17Å; A880-S930 PolarHBondContact O-OG 3.01Å |
| 881 | C | 87.3 | Confident | 74.4 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.7 | -177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | D715 T716 L928 C929 | D715-C881 PolarHBondContact N-O 2.03Å; T716-C881 PolarHBondContact N-O 3.05Å; T716-C881 PolarHBondContact O-N 3.44Å; C881-L928 WeakPolarHBondContact CA-O 3.46Å; C881-C929 HydrophobicContact CB-CB 4.11Å; C881-C929 WeakPolarHBondContact CB-SG 3.37Å; C881-C929 WeakPolarHBondContact SG-CB 3.23Å; C881-C929 CovalentContact SG-SG 2.05Å; C881-C929 PolarHBondContact SG-SG 3.46Å |
| 882 | L | 84.5 | Confident | 72.2 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 153.9 | 179.4 | -61.4 | -176 | 0 | 0 | 0 | 112.9 | P684 I713 I714 Y884 L928 | P684-L882 HydrophobicContact CG-CD2 4.18Å; P684-L882 HydrophobicContact CG-CG 4.38Å; I713-L882 VanDerWaalsContact O-CA 3.31Å; I713-L882 WeakPolarHBondContact O-CA 3Å; I714-L882 HydrophobicContact CD1-CD2 4.06Å; L882-Y884 PolarHBondContact O-N 3.01Å; L882-L928 PolarHBondContact N-O 2.69Å |
| 883 | E | 76.9 | Confident | 70.1 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | trans | -60.3 | 123.3 | 166 | -176.6 | 170 | -135.7 | 0 | 0 | 110.7 | I713 D715 D885 S886 | I713-E883 HydrophobicContact CB-CB 4.44Å; I713-E883 HydrophobicContact CG2-CB 4.49Å; I713-E883 PolarHBondContact O-N 2.9Å; D715-E883 HydrophobicContact CB-CB 4.09Å; E883-D885 VanDerWaalsContact C-N 3.26Å; E883-D885 PolarHBondContact O-N 3.17Å; E883-S886 VanDerWaalsContact O-CB 3.3Å; E883-S886 WeakPolarHBondContact O-CB 3.42Å; E883-S886 PolarHBondContact O-N 3.01Å; E883-S886 PolarHBondContact O-OG 3Å | ||
| 884 | Y | 72.4 | Confident | 68.5 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -55.2 | -38.4 | -174.6 | -180 | -96.6 | 0 | 0 | 0 | 113.2 | L882 S886 P901 L928 | L882-Y884 PolarHBondContact O-N 3.01Å; Y884-S886 VanDerWaalsContact C-N 3.25Å; Y884-S886 PolarHBondContact O-N 2.88Å; Y884-P901 HydrophobicContact CD2-CG 4.28Å; Y884-L928 HydrophobicContact CD2-CD1 4.21Å |
| 885 | D | 66.6 | Low | 66.9 | Low | 104 Ų | 104 | 74.7 Ų | 74.7 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -72.7 | -17.1 | -178.3 | -64.3 | -28.3 | 0 | 0 | 0 | 113.1 | E883 I887 S888 | E883-D885 VanDerWaalsContact C-N 3.26Å; E883-D885 PolarHBondContact O-N 3.17Å; D885-I887 PolarHBondContact O-N 2.86Å; D885-I887 VanDerWaalsContact O-N 3.11Å; D885-S888 PolarHBondContact O-N 3.02Å; D885-S888 PolarHBondContact O-OG 3.13Å |
| 886 | S | 58.4 | Low | 65.6 | Low | 42 Ų | 42 | 80.5 Ų | 80.5 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -70.2 | -5.5 | -176.6 | 73 | 0 | 0 | 0 | 0 | 115.2 | E883 Y884 | E883-S886 VanDerWaalsContact O-CB 3.3Å; E883-S886 WeakPolarHBondContact O-CB 3.42Å; E883-S886 PolarHBondContact O-N 3.01Å; E883-S886 PolarHBondContact O-OG 3Å; Y884-S886 VanDerWaalsContact C-N 3.25Å; Y884-S886 PolarHBondContact O-N 2.88Å |
| 887 | I | 57.4 | Low | 64.8 | Low | 81 Ų | 81 | 81.2 Ų | 81.2 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -110.2 | -15.9 | -179.1 | -61.1 | -178 | 0 | 0 | 0 | 112 | D885 H889 L928 | D885-I887 PolarHBondContact O-N 2.86Å; D885-I887 VanDerWaalsContact O-N 3.11Å; I887-H889 PolarHBondContact O-N 3.24Å; I887-L928 HydrophobicContact CD1-CD2 3.61Å |
| 888 | S | 49.4 | Very low | 63.7 | Low | 78 Ų | 78 | 86.5 Ų | 86.5 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.4 | -159.7 | 67.8 | 0 | 0 | 0 | 0 | 116.7 | D885 | D885-S888 PolarHBondContact O-N 3.02Å; D885-S888 PolarHBondContact O-OG 3.13Å |
| 889 | H | 49.7 | Very low | 62.7 | Low | 171 Ų | 171 | 93.6 Ų | 93.6 | 79% | 0.792 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -14.5 | -155.4 | -97.2 | -72.4 | 0 | 0 | 0 | 118.4 | I887 | I887-H889 PolarHBondContact O-N 3.24Š|
| 890 | E | 49.2 | Very low | 61.9 | Low | 159 Ų | 159 | 96.8 Ų | 96.8 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -135.4 | 110.5 | 175.5 | -69.6 | -159.7 | 161.9 | 0 | 0 | 114.7 | ||
| 891 | K | 43.8 | Very low | 61.2 | Low | 189 Ų | 189 | 97.1 Ų | 97.1 | 82% | 0.822 | 49% | 0.494 | S | S | * | . | trans | 70.4 | 115.7 | 168.4 | -64.6 | 177.1 | 179.6 | 170.3 | 0 | 117.6 | L893 | K891-L893 PolarHBondContact O-N 3.08Š| ||
| 892 | P | 38.3 | Very low | 60.6 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | trans | -87.3 | 51.9 | -167.3 | 38.2 | -39.9 | 0 | 0 | 0 | 114.4 | ||||
| 893 | L | 39.5 | Very low | 60.3 | Low | 149 Ų | 149 | 97.7 Ų | 97.7 | 78% | 0.78 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -137.8 | 64.3 | -170.6 | -78.1 | 167.3 | 0 | 0 | 0 | 114.1 | K891 | K891-L893 PolarHBondContact O-N 3.08Š|
| 894 | K | 49.6 | Very low | 60.2 | Low | 202 Ų | 202 | 98.2 Ų | 98.2 | 88% | 0.878 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 171.9 | -12.5 | 144.9 | -97.6 | 157.3 | -172.7 | 178.9 | 0 | 118 | ||
| 895 | A | 52.8 | Low | 59.9 | Low | 62 Ų | 62 | 100.5 Ų | 100.5 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | trans | -59.2 | 146.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N898 | A895-N898 PolarHBondContact O-OD1 3.12Š| ||
| 896 | K | 59.4 | Low | 60 | Low | 143 Ų | 143 | 99.2 Ų | 99.2 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -100.4 | -26.4 | 178.5 | -71.3 | 175.3 | -178.9 | 166.8 | 0 | 114.7 | N898 A923 E927 | K896-N898 VanDerWaalsContact C-N 3.31Å; K896-N898 PolarHBondContact O-N 3.13Å; K896-A923 HydrophobicContact CB-CB 4.48Å; K896-E927 HydrophobicContact CB-CG 4.3Å; K896-E927 PolarHBondContact N-OE2 3.32Å |
| 897 | C | 69.6 | Low | 60.3 | Low | 16 Ų | 16 | 105.2 Ų | 105.2 | 11% | 0.108 | 53% | 0.526 | C | S | . | . | trans | -80.6 | 75.9 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | Y899 C924 E927 | C897-Y899 PolarHBondContact O-N 2.97Å; C897-Y899 PolarHBondContact SG-O 3.2Å; C897-Y899 VanDerWaalsContact SG-O 3.34Å; C897-C924 HydrophobicContact CB-CB 4.01Å; C897-C924 WeakPolarHBondContact CB-SG 3.31Å; C897-C924 VanDerWaalsContact SG-CA 3.59Å; C897-C924 WeakPolarHBondContact SG-CB 3.28Å; C897-C924 CovalentContact SG-SG 2.05Å; C897-C924 PolarHBondContact SG-SG 2.94Å; C897-E927 HydrophobicContact CB-CB 4.37Å; C897-E927 HydrophobicContact CB-CG 4.42Å | ||
| 898 | N | 65.4 | Low | 60.7 | Low | 117 Ų | 117 | 103.5 Ų | 103.5 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | trans | -79.4 | 3.4 | -176.9 | -70.7 | -16 | 0 | 0 | 0 | 114.8 | A895 K896 | A895-N898 PolarHBondContact O-OD1 3.12Å; K896-N898 VanDerWaalsContact C-N 3.31Å; K896-N898 PolarHBondContact O-N 3.13Å | ||
| 899 | Y | 69 | Low | 61.3 | Low | 151 Ų | 151 | 102.9 Ų | 102.9 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -139.3 | 155.2 | -175.1 | -63.9 | -75.9 | 0 | 0 | 0 | 109.5 | C897 | C897-Y899 PolarHBondContact O-N 2.97Å; C897-Y899 PolarHBondContact SG-O 3.2Å; C897-Y899 VanDerWaalsContact SG-O 3.34Å |
| 900 | P | 71.5 | Confident | 62.4 | Low | 71 Ų | 71 | 97.8 Ų | 97.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | trans | -50.2 | 139.5 | 170 | -27 | 35.4 | 0 | 0 | 0 | 111.3 | F904 Q920 | P900-F904 HydrophobicContact CB-CD1 4.2Å; P900-Q920 PolarHBondContact O-NE2 2.66Å | ||
| 901 | P | 75.5 | Confident | 63.3 | Low | 7 Ų | 7 | 94.6 Ų | 94.6 | 5% | 0.045 | 49% | 0.493 | C | S | . | . | trans | -59.2 | 142.8 | -176.2 | -26 | 35.5 | 0 | 0 | 0 | 111.8 | Y884 W903 F904 C924 L928 | Y884-P901 HydrophobicContact CD2-CG 4.28Å; P901-W903 HydrophobicContact CB-CD2 3.82Å; P901-W903 HydrophobicContact CB-CE3 4.25Å; P901-W903 HydrophobicContact CB-CG 4.42Å; P901-W903 HydrophobicContact CB-CH2 3.97Å; P901-W903 HydrophobicContact CB-CZ2 3.49Å; P901-W903 VanDerWaalsContact CB-CZ2 3.49Å; P901-W903 HydrophobicContact CB-CZ3 4.32Å; P901-W903 HydrophobicContact CG-CZ2 4.28Å; P901-W903 PolarHBondContact O-N 2.79Å; P901-F904 WeakPolarHBondContact O-CB 3.47Å; P901-F904 PolarHBondContact O-N 2.89Å; P901-C924 HydrophobicContact CB-CB 4.17Å; P901-C924 HydrophobicContact CG-CB 4.42Å; P901-L928 HydrophobicContact CG-CD1 3.46Å; P901-L928 VanDerWaalsContact CG-CD1 3.46Å | ||
| 902 | P | 74.8 | Confident | 64.5 | Low | 13 Ų | 13 | 85.8 Ų | 85.8 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.2 | -170.9 | -27.5 | 36.3 | 0 | 0 | 0 | 116 | K906 Q920 W921 | P902-K906 WeakPolarHBondContact O-CD 3.45Å; P902-K906 WeakPolarHBondContact O-CE 3.32Å; P902-Q920 HydrophobicContact CG-CB 4.36Å; P902-Q920 HydrophobicContact CG-CG 3.9Å; P902-W921 HydrophobicContact CB-CD2 4.48Å; P902-W921 HydrophobicContact CB-CE3 3.61Å; P902-W921 HydrophobicContact CB-CZ3 3.92Å; P902-W921 HydrophobicContact CG-CB 4.35Å; P902-W921 HydrophobicContact CG-CE3 4.17Å |
| 903 | W | 77.9 | Confident | 66.1 | Low | 7 Ų | 7 | 84.4 Ų | 84.4 | 3% | 0.027 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.7 | 172.5 | 50.8 | 91.9 | 0 | 0 | 0 | 114 | L718 V832 P901 N905 K906 W921 C924 E925 C929 | L718-W903 HydrophobicContact CD1-CD2 3.85Å; L718-W903 HydrophobicContact CD1-CE3 4.3Å; L718-W903 HydrophobicContact CD1-CG 4.18Å; L718-W903 HydrophobicContact CD1-CH2 4.48Å; L718-W903 HydrophobicContact CD1-CZ2 4.07Å; L718-W903 HydrophobicContact CD2-CB 4.17Å; L718-W903 HydrophobicContact CD2-CD2 4.43Å; L718-W903 HydrophobicContact CD2-CG 3.88Å; V832-W903 HydrophobicContact CG2-CB 4.09Å; P901-W903 HydrophobicContact CB-CD2 3.82Å; P901-W903 HydrophobicContact CB-CE3 4.25Å; P901-W903 HydrophobicContact CB-CG 4.42Å; P901-W903 HydrophobicContact CB-CH2 3.97Å; P901-W903 HydrophobicContact CB-CZ2 3.49Å; P901-W903 VanDerWaalsContact CB-CZ2 3.49Å; P901-W903 HydrophobicContact CB-CZ3 4.32Å; P901-W903 HydrophobicContact CG-CZ2 4.28Å; P901-W903 PolarHBondContact O-N 2.79Å; W903-N905 PolarHBondContact O-N 2.78Å; W903-K906 PolarHBondContact O-N 2.86Å; W903-W921 HydrophobicContact CB-CH2 4.11Å; W903-W921 HydrophobicContact CD2-CZ2 4.42Å; W903-W921 HydrophobicContact CE3-CD2 4.01Å; W903-W921 AromaticContact CE3-CE2 3.63Å; W903-W921 HydrophobicContact CE3-CE3 4.26Å; W903-W921 AromaticContact CE3-CH2 3.76Å; W903-W921 HydrophobicContact CE3-CH2 3.76Å; W903-W921 AromaticContact CE3-CZ2 3.49Å; W903-W921 HydrophobicContact CE3-CZ2 3.49Å; W903-W921 VanDerWaalsContact CE3-CZ2 3.49Å; W903-W921 HydrophobicContact CE3-CZ3 4.14Å; W903-W921 AromaticContact CZ3-CD2 3.99Å; W903-W921 HydrophobicContact CZ3-CD2 3.99Å; W903-W921 AromaticContact CZ3-CE2 3.66Å; W903-W921 HydrophobicContact CZ3-CG 4.23Å; W903-W921 AromaticContact CZ3-CZ2 3.99Å; W903-W921 HydrophobicContact CZ3-CZ2 3.99Å; W903-W921 AromaticContact CZ3-NE1 3.78Å; W903-C924 HydrophobicContact CH2-CB 4.14Å; W903-E925 HydrophobicContact CH2-CB 4.02Å; W903-E925 HydrophobicContact CZ3-CB 4.36Å; W903-C929 VanDerWaalsContact CZ2-SG 3.58Å |
| 904 | F | 73.2 | Confident | 67.4 | Low | 87 Ų | 87 | 77.9 Ų | 77.9 | 38% | 0.382 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 127.5 | -177.8 | -164.3 | -103.2 | 0 | 0 | 0 | 110.8 | P900 P901 K906 | P900-F904 HydrophobicContact CB-CD1 4.2Å; P901-F904 WeakPolarHBondContact O-CB 3.47Å; P901-F904 PolarHBondContact O-N 2.89Å; F904-K906 PolarHBondContact O-N 3.31Å |
| 905 | N | 66.6 | Low | 68.3 | Low | 129 Ų | 129 | 73.2 Ų | 73.2 | 69% | 0.69 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 14.8 | -179.8 | -62.8 | -21.5 | 0 | 0 | 0 | 117.1 | W903 | W903-N905 PolarHBondContact O-N 2.78Š|
| 906 | K | 68.5 | Low | 69 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 145.7 | 170.3 | -78.4 | -172.9 | -177.9 | -83.6 | 0 | 111.4 | I816 P902 W903 F904 V912 | I816-K906 HydrophobicContact CD1-CB 3.57Å; I816-K906 HydrophobicContact CD1-CD 3.39Å; I816-K906 HydrophobicContact CD1-CG 4.12Å; P902-K906 WeakPolarHBondContact O-CD 3.45Å; P902-K906 WeakPolarHBondContact O-CE 3.32Å; W903-K906 PolarHBondContact O-N 2.86Å; F904-K906 PolarHBondContact O-N 3.31Å; K906-V912 HydrophobicContact CD-CG2 4.14Å |
| 907 | K | 65.4 | Low | 69.5 | Low | 167 Ų | 167 | 73.7 Ų | 73.7 | 73% | 0.726 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 156.5 | 174.9 | -64.3 | -177.6 | 179.2 | -179.4 | 0 | 111.1 | I910 | K907-I910 HydrophobicContact CB-CD1 4.27Å; K907-I910 WeakPolarHBondContact O-CD1 3.4Å; K907-I910 VanDerWaalsContact O-CG1 3.29Å; K907-I910 WeakPolarHBondContact O-CG1 3.11Å |
| 908 | S | 64.9 | Low | 69.4 | Low | 45 Ų | 45 | 76 Ų | 76 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 154.2 | 169.3 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | D818 I910 | D818-S908 PolarHBondContact N-OG 3.25Å; D818-S908 WeakPolarHBondContact OD1-CB 3.06Å; D818-S908 WeakPolarHBondContact OD2-CB 3.18Å; D818-S908 PolarHBondContact OD2-OG 2.03Å; S908-I910 VanDerWaalsContact C-N 3.26Å; S908-I910 PolarHBondContact O-N 3.14Å |
| 909 | G | 63.8 | Low | 69.5 | Low | 66 Ų | 66 | 78.4 Ų | 78.4 | 68% | 0.68 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -4.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I816 | I816-G909 PolarHBondContact O-N 3.39Š|
| 910 | I | 70.9 | Confident | 69.6 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 33% | 0.328 | 39% | 0.385 | S | S | . | . | trans | -81.6 | 119.2 | 176.6 | -62.5 | 177.5 | 0 | 0 | 0 | 109.6 | I816 K907 S908 V912 | I816-I910 PolarHBondContact N-O 2.73Å; K907-I910 HydrophobicContact CB-CD1 4.27Å; K907-I910 WeakPolarHBondContact O-CD1 3.4Å; K907-I910 VanDerWaalsContact O-CG1 3.29Å; K907-I910 WeakPolarHBondContact O-CG1 3.11Å; S908-I910 VanDerWaalsContact C-N 3.26Å; S908-I910 PolarHBondContact O-N 3.14Å; I910-V912 HydrophobicContact CG2-CG2 4.28Å | ||
| 911 | I | 68.6 | Low | 69.8 | Low | 91 Ų | 91 | 71.4 Ų | 71.4 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.4 | 166.2 | -48.7 | -169.8 | 0 | 0 | 0 | 108.3 | P813 N815 | P813-I911 HydrophobicContact CB-CG2 4.3Å; N815-I911 WeakPolarHBondContact OD1-CG1 3.5Å |
| 912 | V | 70.5 | Confident | 69.6 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 106.9 | 172 | -179 | 0 | 0 | 0 | 0 | 108 | V814 I816 K906 I910 L914 L917 W921 | V814-V912 HydrophobicContact CB-CB 4.48Å; V814-V912 PolarHBondContact N-O 2.83Å; V814-V912 PolarHBondContact O-N 2.72Å; I816-V912 HydrophobicContact CD1-CG2 3.86Å; I816-V912 HydrophobicContact CG1-CG2 4.15Å; K906-V912 HydrophobicContact CD-CG2 4.14Å; I910-V912 HydrophobicContact CG2-CG2 4.28Å; V912-L914 PolarHBondContact O-N 2.91Å; V912-L917 HydrophobicContact CG1-CD1 4.18Å; V912-W921 HydrophobicContact CG1-CZ3 4.32Å |
| 913 | H | 70.2 | Confident | 69.4 | Low | 103 Ų | 103 | 73.2 Ų | 73.2 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | trans | -76.6 | 114.4 | 167.3 | -64.9 | -97.1 | 0 | 0 | 0 | 107.6 | D915 | H913-D915 VanDerWaalsContact C-N 3.33Å; H913-D915 VanDerWaalsContact C-OD1 3.25Å; H913-D915 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 914 | L | 67.4 | Low | 69.5 | Low | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -71.3 | -27.7 | -171.8 | -79 | 175.3 | 0 | 0 | 0 | 112.9 | M804 L811 V814 V912 Q916 L917 Q918 W921 | M804-L914 HydrophobicContact SD-CD1 4.5Å; L811-L914 HydrophobicContact CD1-CB 4.34Å; V814-L914 HydrophobicContact CG2-CD1 3.65Å; V814-L914 HydrophobicContact CG2-CD2 4.41Å; V814-L914 HydrophobicContact CG2-CG 3.91Å; V912-L914 PolarHBondContact O-N 2.91Å; L914-Q916 PolarHBondContact O-N 3.37Å; L914-L917 CarbonylContact O-C 3.25Å; L914-L917 PolarHBondContact O-N 3.46Å; L914-L917 VanDerWaalsContact O-N 3.08Å; L914-Q918 WeakPolarHBondContact O-CA 3.22Å; L914-Q918 WeakPolarHBondContact O-CB 3.34Å; L914-Q918 PolarHBondContact O-N 2.76Å; L914-W921 HydrophobicContact CD2-CD2 4.34Å; L914-W921 HydrophobicContact CD2-CE3 4.37Å |
| 915 | D | 67.8 | Low | 69.8 | Low | 105 Ų | 105 | 70.2 Ų | 70.2 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -50.6 | -38.7 | 175.5 | 60.2 | -18.8 | 0 | 0 | 0 | 113.4 | H913 | H913-D915 VanDerWaalsContact C-N 3.33Å; H913-D915 VanDerWaalsContact C-OD1 3.25Å; H913-D915 WeakPolarHBondContact CB-OD1 3.29Å |
| 916 | Q | 68.7 | Low | 70.2 | Confident | 165 Ų | 165 | 71.6 Ų | 71.6 | 77% | 0.771 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -81.7 | -17.7 | -179.3 | -65.5 | -178.5 | 9.8 | 0 | 0 | 114.2 | L914 | L914-Q916 PolarHBondContact O-N 3.37Š|
| 917 | L | 69.8 | Low | 70.5 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 1.4 | -172.1 | -69.7 | 174 | 0 | 0 | 0 | 114.2 | V912 L914 H919 Q920 W921 | V912-L917 HydrophobicContact CG1-CD1 4.18Å; L914-L917 CarbonylContact O-C 3.25Å; L914-L917 PolarHBondContact O-N 3.46Å; L914-L917 VanDerWaalsContact O-N 3.08Å; L917-H919 VanDerWaalsContact C-N 3.31Å; L917-H919 PolarHBondContact O-N 2.58Å; L917-H919 VanDerWaalsContact O-N 3.13Å; L917-Q920 PolarHBondContact O-N 3.03Å; L917-Q920 VanDerWaalsContact O-N 3.08Å; L917-W921 WeakPolarHBondContact O-CB 3.34Å; L917-W921 PolarHBondContact O-N 2.83Å |
| 918 | Q | 66.5 | Low | 71.4 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -48.3 | -46.3 | -169.8 | -170.4 | 175.4 | -3.2 | 0 | 0 | 113.6 | L914 A922 | L914-Q918 WeakPolarHBondContact O-CA 3.22Å; L914-Q918 WeakPolarHBondContact O-CB 3.34Å; L914-Q918 PolarHBondContact O-N 2.76Å; Q918-A922 WeakPolarHBondContact O-CB 3.24Å; Q918-A922 PolarHBondContact O-N 2.77Å |
| 919 | H | 67.9 | Low | 72.3 | Confident | 167 Ų | 167 | 60.7 Ų | 60.7 | 77% | 0.773 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.7 | -42.8 | -179 | -66 | -61.4 | 0 | 0 | 0 | 113.5 | L917 A923 | L917-H919 VanDerWaalsContact C-N 3.31Å; L917-H919 PolarHBondContact O-N 2.58Å; L917-H919 VanDerWaalsContact O-N 3.13Å; H919-A923 VanDerWaalsContact O-CB 3.27Å; H919-A923 WeakPolarHBondContact O-CB 3.49Å; H919-A923 PolarHBondContact O-N 2.92Å |
| 920 | Q | 71.8 | Confident | 73.5 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 178.2 | -173.8 | -174.2 | -10.5 | 0 | 0 | 111 | P900 P902 L917 C924 | P900-Q920 PolarHBondContact O-NE2 2.66Å; P902-Q920 HydrophobicContact CG-CB 4.36Å; P902-Q920 HydrophobicContact CG-CG 3.9Å; L917-Q920 PolarHBondContact O-N 3.03Å; L917-Q920 VanDerWaalsContact O-N 3.08Å; Q920-C924 PolarHBondContact O-N 3.3Å; Q920-C924 VanDerWaalsContact O-N 3.11Å |
| 921 | W | 75.7 | Confident | 74 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -54.8 | 175.9 | -166.4 | -68.2 | 0 | 0 | 0 | 110.7 | W720 L830 P902 W903 V912 L914 L917 A923 C924 E925 | W720-W921 AromaticContact CH2-CE2 3.76Å; W720-W921 HydrophobicContact CH2-CH2 4.33Å; W720-W921 AromaticContact CH2-CZ2 3.4Å; W720-W921 HydrophobicContact CH2-CZ2 3.4Å; W720-W921 VanDerWaalsContact CH2-CZ2 3.4Å; W720-W921 AromaticContact CH2-NE1 3.81Å; W720-W921 AromaticContact CZ2-CZ2 3.77Å; W720-W921 HydrophobicContact CZ2-CZ2 3.77Å; W720-W921 AromaticContact CZ2-NE1 3.99Å; W720-W921 HydrophobicContact CZ3-CZ2 4.45Å; L830-W921 HydrophobicContact CD2-CH2 3.55Å; L830-W921 HydrophobicContact CD2-CZ2 3.88Å; P902-W921 HydrophobicContact CB-CD2 4.48Å; P902-W921 HydrophobicContact CB-CE3 3.61Å; P902-W921 HydrophobicContact CB-CZ3 3.92Å; P902-W921 HydrophobicContact CG-CB 4.35Å; P902-W921 HydrophobicContact CG-CE3 4.17Å; W903-W921 HydrophobicContact CB-CH2 4.11Å; W903-W921 HydrophobicContact CD2-CZ2 4.42Å; W903-W921 HydrophobicContact CE3-CD2 4.01Å; W903-W921 AromaticContact CE3-CE2 3.63Å; W903-W921 HydrophobicContact CE3-CE3 4.26Å; W903-W921 AromaticContact CE3-CH2 3.76Å; W903-W921 HydrophobicContact CE3-CH2 3.76Å; W903-W921 AromaticContact CE3-CZ2 3.49Å; W903-W921 HydrophobicContact CE3-CZ2 3.49Å; W903-W921 VanDerWaalsContact CE3-CZ2 3.49Å; W903-W921 HydrophobicContact CE3-CZ3 4.14Å; W903-W921 AromaticContact CZ3-CD2 3.99Å; W903-W921 HydrophobicContact CZ3-CD2 3.99Å; W903-W921 AromaticContact CZ3-CE2 3.66Å; W903-W921 HydrophobicContact CZ3-CG 4.23Å; W903-W921 AromaticContact CZ3-CZ2 3.99Å; W903-W921 HydrophobicContact CZ3-CZ2 3.99Å; W903-W921 AromaticContact CZ3-NE1 3.78Å; V912-W921 HydrophobicContact CG1-CZ3 4.32Å; L914-W921 HydrophobicContact CD2-CD2 4.34Å; L914-W921 HydrophobicContact CD2-CE3 4.37Å; L917-W921 WeakPolarHBondContact O-CB 3.34Å; L917-W921 PolarHBondContact O-N 2.83Å; W921-A923 VanDerWaalsContact C-N 3.3Å; W921-A923 PolarHBondContact O-N 3.07Å; W921-C924 PolarHBondContact O-N 3.33Å; W921-E925 VanDerWaalsContact CD1-OE2 3.24Å; W921-E925 PolarHBondContact NE1-OE2 2.87Å; W921-E925 WeakPolarHBondContact O-CB 3.48Å; W921-E925 PolarHBondContact O-N 2.71Å |
| 922 | A | 70.7 | Confident | 74.7 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q918 Y926 | Q918-A922 WeakPolarHBondContact O-CB 3.24Å; Q918-A922 PolarHBondContact O-N 2.77Å; A922-Y926 WeakPolarHBondContact O-CB 3.48Å; A922-Y926 PolarHBondContact O-N 3.46Å |
| 923 | A | 71.5 | Confident | 75.3 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -49.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K896 H919 W921 Y926 E927 | K896-A923 HydrophobicContact CB-CB 4.48Å; H919-A923 VanDerWaalsContact O-CB 3.27Å; H919-A923 WeakPolarHBondContact O-CB 3.49Å; H919-A923 PolarHBondContact O-N 2.92Å; W921-A923 VanDerWaalsContact C-N 3.3Å; W921-A923 PolarHBondContact O-N 3.07Å; A923-Y926 PolarHBondContact O-N 2.86Å; A923-E927 WeakPolarHBondContact O-CG 3.19Å; A923-E927 PolarHBondContact O-N 3.37Å; A923-E927 VanDerWaalsContact O-N 3.13Å |
| 924 | C | 80.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.8 | -29.7 | -179.8 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | C897 P901 W903 Q920 W921 L928 | C897-C924 HydrophobicContact CB-CB 4.01Å; C897-C924 WeakPolarHBondContact CB-SG 3.31Å; C897-C924 VanDerWaalsContact SG-CA 3.59Å; C897-C924 WeakPolarHBondContact SG-CB 3.28Å; C897-C924 CovalentContact SG-SG 2.05Å; C897-C924 PolarHBondContact SG-SG 2.94Å; P901-C924 HydrophobicContact CB-CB 4.17Å; P901-C924 HydrophobicContact CG-CB 4.42Å; W903-C924 HydrophobicContact CH2-CB 4.14Å; Q920-C924 PolarHBondContact O-N 3.3Å; Q920-C924 VanDerWaalsContact O-N 3.11Å; W921-C924 PolarHBondContact O-N 3.33Å; C924-L928 HydrophobicContact CB-CD1 4.4Å; C924-L928 VanDerWaalsContact O-CB 3.32Å; C924-L928 WeakPolarHBondContact O-CB 3.41Å; C924-L928 PolarHBondContact O-N 3.41Å; C924-L928 VanDerWaalsContact O-N 3.09Å |
| 925 | E | 78.7 | Confident | 76.7 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 173.9 | -170.9 | 167.6 | -134.8 | 0 | 0 | 110.8 | Q879 W903 W921 C929 R932 | Q879-E925 PolarHBondContact NE2-OE1 3.12Å; Q879-E925 PolarHBondContact OE1-OE1 3.38Å; W903-E925 HydrophobicContact CH2-CB 4.02Å; W903-E925 HydrophobicContact CZ3-CB 4.36Å; W921-E925 VanDerWaalsContact CD1-OE2 3.24Å; W921-E925 PolarHBondContact NE1-OE2 2.87Å; W921-E925 WeakPolarHBondContact O-CB 3.48Å; W921-E925 PolarHBondContact O-N 2.71Å; E925-C929 HydrophobicContact CG-CB 4.47Å; E925-C929 WeakPolarHBondContact O-CB 3.37Å; E925-C929 PolarHBondContact O-N 2.86Å; E925-R932 IonicContact OE1-CZ 3.56Å; E925-R932 IonicContact OE1-NE 3.62Å; E925-R932 IonicContact OE1-NH2 2.64Å; E925-R932 PolarHBondContact OE1-NH2 3.46Å; E925-R932 IonicContact OE2-NH2 3.99Å |
| 926 | Y | 75.1 | Confident | 77.5 | Confident | 157 Ų | 157 | 54.6 Ų | 54.6 | 62% | 0.616 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.3 | -35.8 | 175.8 | -177.6 | -88.5 | 0 | 0 | 0 | 113.9 | N683 A922 A923 | N683-Y926 PolarHBondContact ND2-O 2.92Å; A922-Y926 WeakPolarHBondContact O-CB 3.48Å; A922-Y926 PolarHBondContact O-N 3.46Å; A923-Y926 PolarHBondContact O-N 2.86Å |
| 927 | E | 75.4 | Confident | 78.4 | Confident | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.4 | -22 | -174.9 | -54.3 | -95.1 | 139.3 | 0 | 0 | 113.3 | K896 C897 A923 | K896-E927 HydrophobicContact CB-CG 4.3Å; K896-E927 PolarHBondContact N-OE2 3.32Å; C897-E927 HydrophobicContact CB-CB 4.37Å; C897-E927 HydrophobicContact CB-CG 4.42Å; A923-E927 WeakPolarHBondContact O-CG 3.19Å; A923-E927 PolarHBondContact O-N 3.37Å; A923-E927 VanDerWaalsContact O-N 3.13Å |
| 928 | L | 82.5 | Confident | 79.2 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -118.4 | -23.7 | -172.5 | -62.9 | 167.9 | 0 | 0 | 0 | 115.4 | C881 L882 Y884 I887 P901 C924 | C881-L928 WeakPolarHBondContact CA-O 3.46Å; L882-L928 PolarHBondContact N-O 2.69Å; Y884-L928 HydrophobicContact CD2-CD1 4.21Å; I887-L928 HydrophobicContact CD1-CD2 3.61Å; P901-L928 HydrophobicContact CG-CD1 3.46Å; P901-L928 VanDerWaalsContact CG-CD1 3.46Å; C924-L928 HydrophobicContact CB-CD1 4.4Å; C924-L928 VanDerWaalsContact O-CB 3.32Å; C924-L928 WeakPolarHBondContact O-CB 3.41Å; C924-L928 PolarHBondContact O-N 3.41Å; C924-L928 VanDerWaalsContact O-N 3.09Å |
| 929 | C | 85.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -109.4 | 161.7 | -170.1 | -56.9 | 0 | 0 | 0 | 0 | 113.2 | N683 A880 C881 W903 E925 | N683-C929 PolarHBondContact ND2-O 2.92Å; A880-C929 CarbonylContact O-C 3.56Å; A880-C929 VanDerWaalsContact O-CA 3.26Å; A880-C929 WeakPolarHBondContact O-CA 3.44Å; C881-C929 HydrophobicContact CB-CB 4.11Å; C881-C929 WeakPolarHBondContact CB-SG 3.37Å; C881-C929 WeakPolarHBondContact SG-CB 3.23Å; C881-C929 CovalentContact SG-SG 2.05Å; C881-C929 PolarHBondContact SG-SG 3.46Å; W903-C929 VanDerWaalsContact CZ2-SG 3.58Å; E925-C929 HydrophobicContact CG-CB 4.47Å; E925-C929 WeakPolarHBondContact O-CB 3.37Å; E925-C929 PolarHBondContact O-N 2.86Å |
| 930 | S | 88.1 | Confident | 81 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -84.9 | 160.7 | 171 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | P684 S685 Q879 A880 | P684-S930 WeakPolarHBondContact O-CA 3.49Å; P684-S930 WeakPolarHBondContact O-CB 3.42Å; S685-S930 WeakPolarHBondContact O-CB 3.44Å; S685-S930 PolarHBondContact O-OG 2.92Å; S685-S930 VanDerWaalsContact O-OG 3.09Å; Q879-S930 WeakPolarHBondContact CB-O 3.38Å; A880-S930 PolarHBondContact N-OG 2.93Å; A880-S930 PolarHBondContact O-N 3.17Å; A880-S930 PolarHBondContact O-OG 3.01Å |
| 931 | P | 82.4 | Confident | 81.6 | Confident | 76 Ų | 76 | 35.6 Ų | 35.6 | 49% | 0.494 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 149.3 | 168.1 | -19 | 30.7 | 0 | 0 | 0 | 111.7 | P686 | P686-P931 WeakPolarHBondContact CB-O 3.46Å; P686-P931 HydrophobicContact CG-CB 4.08Å; P686-P931 HydrophobicContact CG-CG 4.36Å; P686-P931 WeakPolarHBondContact CG-O 3.47Å |
| 932 | R | 83.1 | Confident | 82.1 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 132.5 | -174.3 | -65.9 | -178.2 | -168.7 | -172.8 | 4.4 | 112.6 | W720 M804 E877 Q879 E925 | W720-R932 VanDerWaalsContact CE2-NH2 3.33Å; M804-R932 PolarHBondContact SD-NH1 2.99Å; E877-R932 HydrophobicContact CB-CB 4.18Å; E877-R932 HydrophobicContact CB-CG 4.42Å; E877-R932 VanDerWaalsContact OE1-CD 3.28Å; E877-R932 WeakPolarHBondContact OE1-CD 3.44Å; E877-R932 IonicContact OE1-NH1 2.68Å; E877-R932 WeakPolarHBondContact OE2-CD 3.37Å; E877-R932 IonicContact OE2-CZ 3.63Å; E877-R932 IonicContact OE2-NE 3.4Å; E877-R932 IonicContact OE2-NH1 3.31Å; E877-R932 PolarHBondContact OE2-NH1 2.02Å; Q879-R932 HydrophobicContact CB-CG 4.19Å; Q879-R932 HydrophobicContact CG-CG 4.44Å; Q879-R932 VanDerWaalsContact OE1-NE 3.11Å; E925-R932 IonicContact OE1-CZ 3.56Å; E925-R932 IonicContact OE1-NE 3.62Å; E925-R932 IonicContact OE1-NH2 2.64Å; E925-R932 PolarHBondContact OE1-NH2 3.46Å; E925-R932 IonicContact OE2-NH2 3.99Å |
| 933 | S | 83.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.7 | 172.4 | -154 | 0 | 0 | 0 | 0 | 108.8 | P687 P690 E877 I878 | P687-S933 WeakPolarHBondContact O-CB 3.32Å; P687-S933 PolarHBondContact O-OG 2.85Å; P690-S933 WeakPolarHBondContact CG-OG 3.36Å; E877-S933 CarbonylContact C-O 3.58Å; E877-S933 WeakPolarHBondContact CA-O 3.32Å; I878-S933 PolarHBondContact N-O 2.93Å; I878-S933 PolarHBondContact O-N 3.17Å |
| 934 | T | 81.2 | Confident | 83.3 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.3 | -163.7 | -53 | 0 | 0 | 0 | 0 | 112.9 | W803 L875 V876 | W803-T934 HydrophobicContact CH2-CG2 4.21Å; W803-T934 WeakPolarHBondContact CH2-OG1 3.28Å; W803-T934 HydrophobicContact CZ3-CG2 3.68Å; W803-T934 WeakPolarHBondContact CZ3-OG1 3.42Å; L875-T934 HydrophobicContact CD1-CG2 4.5Å; L875-T934 HydrophobicContact CD2-CG2 4.4Å; L875-T934 HydrophobicContact CG-CG2 4.28Å; V876-T934 WeakPolarHBondContact O-CA 3.28Å |
| 935 | V | 85.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.8 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 112 | P690 L692 L702 L875 V876 | P690-V935 HydrophobicContact CB-CG1 3.69Å; P690-V935 HydrophobicContact CG-CG1 3.68Å; P690-V935 WeakPolarHBondContact O-CG1 3.37Å; L692-V935 HydrophobicContact CB-CB 4.27Å; L692-V935 HydrophobicContact CB-CG2 3.77Å; L692-V935 HydrophobicContact CD2-CG2 4.29Å; L702-V935 HydrophobicContact CD1-CG2 3.91Å; L875-V935 WeakPolarHBondContact CA-O 3.08Å; V876-V935 HydrophobicContact CB-CG2 3.86Å; V876-V935 PolarHBondContact N-O 3.41Å; V876-V935 PolarHBondContact O-N 2.89Å |
| 936 | I | 83.7 | Confident | 84 | Confident | 89 Ų | 89 | 46 Ų | 46 | 46% | 0.456 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.7 | 174.4 | -53 | 176.7 | 0 | 0 | 0 | 108.1 | L724 V874 L875 | L724-I936 HydrophobicContact CD1-CD1 4.31Å; L724-I936 HydrophobicContact CD1-CG2 4.11Å; V874-I936 WeakPolarHBondContact O-CA 3.44Å; L875-I936 HydrophobicContact CB-CG1 4.09Å; L875-I936 HydrophobicContact CD1-CD1 3.96Å; L875-I936 HydrophobicContact CD1-CG1 4.11Å; L875-I936 HydrophobicContact CG-CD1 4.41Å; L875-I936 HydrophobicContact CG-CG1 3.99Å |
| 937 | N | 87 | Confident | 84.6 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 178.7 | 166.4 | -151.7 | -21.8 | 0 | 0 | 0 | 110.3 | L692 V874 | L692-N937 HydrophobicContact CB-CB 4.24Å; L692-N937 HydrophobicContact CD2-CB 4.14Å; L692-N937 HydrophobicContact CG-CB 4.16Å; L692-N937 WeakPolarHBondContact O-CB 3.32Å; L692-N937 PolarHBondContact O-ND2 3.47Å; V874-N937 PolarHBondContact N-O 3.05Å; V874-N937 PolarHBondContact O-N 3.42Å; V874-N937 VanDerWaalsContact O-N 3.12Å |
| 938 | R | 86.3 | Confident | 85.3 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.7 | -177.4 | -173.9 | -165.2 | -70.7 | -86.1 | 9.3 | 110 | D726 W748 F871 T872 R873 | D726-R938 VanDerWaalsContact CG-NH2 3.31Å; D726-R938 IonicContact OD1-CZ 2.72Å; D726-R938 IonicContact OD1-NH1 3.83Å; D726-R938 IonicContact OD1-NH2 3.79Å; D726-R938 PolarHBondContact OD1-NH2 3.28Å; D726-R938 IonicContact OD2-CZ 2.75Å; D726-R938 IonicContact OD2-NH1 3.17Å; D726-R938 PolarHBondContact OD2-NH1 2.85Å; D726-R938 IonicContact OD2-NH2 2.88Å; D726-R938 PolarHBondContact OD2-NH2 3.16Å; W748-R938 HydrophobicContact CH2-CB 4.04Å; W748-R938 HydrophobicContact CH2-CG 4.29Å; F871-R938 VanDerWaalsContact CE1-CZ 3.46Å; F871-R938 VanDerWaalsContact CZ-CD 3.48Å; F871-R938 VanDerWaalsContact O-CD 3.29Å; F871-R938 WeakPolarHBondContact O-CD 3.42Å; F871-R938 WeakPolarHBondContact O-CG 3.48Å; F871-R938 PolarHBondContact O-NH1 3.17Å; T872-R938 CarbonylContact O-C 3.59Å; T872-R938 VanDerWaalsContact O-CA 3.29Å; T872-R938 WeakPolarHBondContact O-CA 3.43Å; T872-R938 WeakPolarHBondContact O-CG 3.5Å; R873-R938 HydrophobicContact CG-CB 4.15Å; R873-R938 HydrophobicContact CG-CG 4.14Å |
| 939 | V | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 149.8 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | N696 K697 L700 L868 F871 T872 | N696-V939 WeakPolarHBondContact O-CG1 3.45Å; K697-V939 VanDerWaalsContact O-CG1 3.23Å; K697-V939 WeakPolarHBondContact O-CG1 3.3Å; L700-V939 HydrophobicContact CD1-CG2 4.38Å; L700-V939 HydrophobicContact CD2-CB 4.34Å; L700-V939 HydrophobicContact CD2-CG2 3.86Å; L700-V939 HydrophobicContact CG-CG2 4.04Å; L868-V939 HydrophobicContact CB-CG2 3.72Å; L868-V939 HydrophobicContact CD1-CG2 3.72Å; L868-V939 HydrophobicContact CG-CG2 4.34Å; F871-V939 VanDerWaalsContact CA-O 3.27Å; F871-V939 WeakPolarHBondContact CA-O 3.41Å; F871-V939 PolarHBondContact N-O 3.16Å; T872-V939 PolarHBondContact O-N 2.71Å |
| 940 | N | 85.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 43.4 Ų | 43.4 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 147.8 | 178.3 | -78.2 | -30.4 | 0 | 0 | 0 | 112.1 | P694 F871 | P694-N940 HydrophobicContact CB-CB 4.43Å; P694-N940 WeakPolarHBondContact CB-OD1 3.08Å; P694-N940 WeakPolarHBondContact CG-OD1 3.39Å; F871-N940 PolarHBondContact N-O 2.93Å; F871-N940 VanDerWaalsContact N-O 3.14Å |
| 941 | P | 85.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 157.7 | 173.8 | 26 | -33.7 | 0 | 0 | 0 | 112.3 | W748 F871 N974 A1076 | W748-P941 HydrophobicContact CB-CG 3.95Å; W748-P941 HydrophobicContact CD2-CG 4.39Å; W748-P941 VanDerWaalsContact CE3-CD 3.45Å; W748-P941 HydrophobicContact CE3-CG 4.18Å; W748-P941 HydrophobicContact CG-CG 4.32Å; F871-P941 HydrophobicContact CD2-CB 3.8Å; F871-P941 HydrophobicContact CD2-CG 4.4Å; F871-P941 HydrophobicContact CE2-CB 4.42Å; P941-N974 WeakPolarHBondContact CA-OD1 3.22Å; P941-N974 HydrophobicContact CB-CB 4.16Å; P941-N974 WeakPolarHBondContact CB-OD1 3.35Å; P941-A1076 HydrophobicContact CB-CB 3.79Å; P941-A1076 HydrophobicContact CG-CB 4.23Å |
| 942 | H | 86.3 | Confident | 85.7 | Confident | 44 Ų | 44 | 44.7 Ų | 44.7 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 118.5 | 167 | -171.3 | -124.1 | 0 | 0 | 0 | 109.8 | K697 P870 E944 S945 N974 | K697-H942 WeakPolarHBondContact CD-CD2 3.46Å; K697-H942 PolarHBondContact NZ-CD2 3.33Å; K697-H942 VanDerWaalsContact NZ-CD2 3.3Å; K697-H942 PolarHBondContact NZ-NE2 3.2Å; P870-H942 HydrophobicContact CB-CB 3.86Å; P870-H942 HydrophobicContact CG-CB 4.07Å; H942-E944 VanDerWaalsContact C-N 3.29Å; H942-E944 IonicContact CE1-OE2 2.65Å; H942-E944 PolarHBondContact O-N 2.95Å; H942-S945 PolarHBondContact ND1-OG 2.72Å; H942-S945 WeakPolarHBondContact O-CB 3.47Å; H942-S945 PolarHBondContact O-N 3.47Å; H942-N974 PolarHBondContact N-OD1 2.95Å; H942-N974 PolarHBondContact O-ND2 2.92Å; H942-N974 PolarHBondContact O-OD1 2.93Å |
| 943 | V | 82 | Confident | 86 | Confident | 106 Ų | 106 | 43.3 Ų | 43.3 | 64% | 0.642 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -54.6 | -43.5 | -171.3 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | S945 | V943-S945 PolarHBondContact O-N 3.05Š|
| 944 | E | 84.3 | Confident | 86.2 | Confident | 137 Ų | 137 | 48.4 Ų | 48.4 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -80.8 | -10.7 | -176.3 | -61.4 | 169.3 | 178.5 | 0 | 0 | 114.1 | H942 D946 N947 | H942-E944 VanDerWaalsContact C-N 3.29Å; H942-E944 IonicContact CE1-OE2 2.65Å; H942-E944 PolarHBondContact O-N 2.95Å; E944-D946 PolarHBondContact O-N 2.9Å; E944-N947 WeakPolarHBondContact O-CB 3.34Å; E944-N947 PolarHBondContact O-N 2.95Å |
| 945 | S | 85.2 | Confident | 86.5 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -65.2 | -24.5 | -170 | -102.8 | 0 | 0 | 0 | 0 | 114.5 | H942 V943 P970 K972 P973 | H942-S945 PolarHBondContact ND1-OG 2.72Å; H942-S945 WeakPolarHBondContact O-CB 3.47Å; H942-S945 PolarHBondContact O-N 3.47Å; V943-S945 PolarHBondContact O-N 3.05Å; S945-P970 WeakPolarHBondContact O-CB 3.43Å; S945-K972 WeakPolarHBondContact CB-O 3.44Å; S945-K972 PolarHBondContact OG-O 2.77Å; S945-P973 WeakPolarHBondContact O-CA 3.18Å |
| 946 | D | 88.4 | Confident | 86.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -97.7 | 1.4 | -178.2 | -61 | -37.7 | 0 | 0 | 0 | 113.1 | E944 P970 P973 N974 A1072 S1074 | E944-D946 PolarHBondContact O-N 2.9Å; D946-P970 VanDerWaalsContact O-CG 3.27Å; D946-P970 WeakPolarHBondContact O-CG 3.31Å; D946-P973 VanDerWaalsContact OD1-CA 3.25Å; D946-P973 WeakPolarHBondContact OD1-CA 3.14Å; D946-P973 WeakPolarHBondContact OD1-CB 3.26Å; D946-N974 PolarHBondContact OD1-N 3.2Å; D946-N974 PolarHBondContact OD2-ND2 3.35Å; D946-A1072 WeakPolarHBondContact O-CB 3.29Å; D946-S1074 WeakPolarHBondContact OD1-CB 3.45Å; D946-S1074 PolarHBondContact OD1-OG 2.94Å; D946-S1074 VanDerWaalsContact OD2-CB 3.28Å; D946-S1074 WeakPolarHBondContact OD2-CB 3.37Å; D946-S1074 PolarHBondContact OD2-OG 2.56Å |
| 947 | N | 88.9 | Confident | 86.3 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | trans | -73.1 | 133.1 | -177 | -75.8 | -0.1 | 0 | 0 | 0 | 111.7 | E944 E1080 | E944-N947 WeakPolarHBondContact O-CB 3.34Å; E944-N947 PolarHBondContact O-N 2.95Å; N947-E1080 PolarHBondContact ND2-OE2 3.05Å; N947-E1080 WeakPolarHBondContact OD1-CB 3.29Å; N947-E1080 PolarHBondContact OD1-N 3.21Å | ||
| 948 | I | 88.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | trans | -71.3 | 128.8 | -179.3 | -62.9 | 173.3 | 0 | 0 | 0 | 109.4 | V950 I953 W967 Y980 I1070 A1072 | I948-V950 PolarHBondContact O-N 3.25Å; I948-I953 HydrophobicContact CG2-CD1 4.18Å; I948-I953 HydrophobicContact CG2-CG1 4.2Å; I948-W967 HydrophobicContact CG2-CB 4.11Å; I948-W967 HydrophobicContact CG2-CG 4.37Å; I948-Y980 HydrophobicContact CD1-CD1 4.03Å; I948-Y980 HydrophobicContact CD1-CE1 4.35Å; I948-I1070 HydrophobicContact CD1-CB 3.82Å; I948-I1070 HydrophobicContact CD1-CG2 3.53Å; I948-A1072 HydrophobicContact CD1-CB 4.26Å; I948-A1072 HydrophobicContact CG1-CB 4.01Å | ||
| 949 | P | 88.2 | Confident | 85.3 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | trans | -60 | 113.2 | 176.7 | -24.3 | 34.7 | 0 | 0 | 0 | 111.6 | S951 S952 | P949-S951 VanDerWaalsContact C-N 3.29Å; P949-S951 PolarHBondContact O-N 3.13Å; P949-S952 VanDerWaalsContact O-CB 3.26Å; P949-S952 WeakPolarHBondContact O-CB 3.23Å; P949-S952 PolarHBondContact O-N 3.27Å; P949-S952 PolarHBondContact O-OG 3.26Å | ||
| 950 | V | 84.4 | Confident | 84.6 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -56.9 | -41.7 | -173.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | I948 S952 I953 P1083 | I948-V950 PolarHBondContact O-N 3.25Å; V950-S952 PolarHBondContact O-N 3.34Å; V950-I953 PolarHBondContact O-N 3.02Å; V950-I953 VanDerWaalsContact O-N 3.1Å; V950-P1083 HydrophobicContact CG1-CG 3.94Å; V950-P1083 HydrophobicContact CG2-CG 3.89Å |
| 951 | S | 85.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65.1 | 0.5 | 176.4 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | P949 Y954 | P949-S951 VanDerWaalsContact C-N 3.29Å; P949-S951 PolarHBondContact O-N 3.13Å; S951-Y954 PolarHBondContact O-OH 3.36Å |
| 952 | S | 88.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -98.1 | -13.1 | 173.9 | 77.5 | 0 | 0 | 0 | 0 | 114.2 | P949 V950 Y954 W967 S968 | P949-S952 VanDerWaalsContact O-CB 3.26Å; P949-S952 WeakPolarHBondContact O-CB 3.23Å; P949-S952 PolarHBondContact O-N 3.27Å; P949-S952 PolarHBondContact O-OG 3.26Å; V950-S952 PolarHBondContact O-N 3.34Å; S952-Y954 WeakPolarHBondContact O-CD2 3.26Å; S952-Y954 WeakPolarHBondContact O-CE2 3.24Å; S952-W967 WeakPolarHBondContact O-CA 3.04Å; S952-S968 WeakPolarHBondContact CB-OG 3.48Å; S952-S968 PolarHBondContact OG-N 3.27Å; S952-S968 PolarHBondContact OG-OG 3.04Å |
| 953 | I | 89.5 | Confident | 84.3 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | trans | -84.9 | 125.7 | -170.4 | -55.1 | 177.2 | 0 | 0 | 0 | 110.3 | I948 V950 T966 W967 F1068 I1070 E1085 | I948-I953 HydrophobicContact CG2-CD1 4.18Å; I948-I953 HydrophobicContact CG2-CG1 4.2Å; V950-I953 PolarHBondContact O-N 3.02Å; V950-I953 VanDerWaalsContact O-N 3.1Å; I953-T966 CarbonylContact C-O 3.46Å; I953-T966 WeakPolarHBondContact CA-O 3.4Å; I953-W967 HydrophobicContact CG1-CB 4.12Å; I953-F1068 HydrophobicContact CG2-CE2 4.03Å; I953-F1068 HydrophobicContact CG2-CZ 4.14Å; I953-I1070 HydrophobicContact CD1-CD1 4.45Å; I953-I1070 HydrophobicContact CG1-CD1 4.48Å; I953-I1070 HydrophobicContact CG2-CD1 4.03Å; I953-E1085 HydrophobicContact CG2-CG 4.17Å | ||
| 954 | Y | 89.1 | Confident | 84.6 | Confident | 132 Ų | 132 | 50.8 Ų | 50.8 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.3 | 176.7 | -60.8 | -85.5 | 0 | 0 | 0 | 111.4 | S951 S952 I965 T966 | S951-Y954 PolarHBondContact O-OH 3.36Å; S952-Y954 WeakPolarHBondContact O-CD2 3.26Å; S952-Y954 WeakPolarHBondContact O-CE2 3.24Å; Y954-I965 CarbonylContact O-C 3.56Å; Y954-I965 VanDerWaalsContact O-CA 3.32Å; Y954-I965 WeakPolarHBondContact O-CA 3.35Å; Y954-T966 PolarHBondContact N-O 2.9Å; Y954-T966 PolarHBondContact O-N 2.64Å |
| 955 | A | 87.3 | Confident | 84.9 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | I963 R964 I965 F1068 F1087 | A955-I963 HydrophobicContact CB-CD1 4.37Å; A955-I963 HydrophobicContact CB-CG1 4.3Å; A955-R964 CarbonylContact C-O 3.4Å; A955-R964 WeakPolarHBondContact CA-O 3.14Å; A955-I965 HydrophobicContact CB-CG1 4.19Å; A955-F1068 HydrophobicContact CB-CE1 3.94Å; A955-F1068 HydrophobicContact CB-CZ 4.01Å; A955-F1087 HydrophobicContact CB-CB 4.34Å |
| 956 | S | 86.3 | Confident | 85.2 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.5 | -175.1 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | I963 R964 | S956-I963 VanDerWaalsContact C-CD1 3.49Å; S956-I963 WeakPolarHBondContact O-CD1 3.36Å; S956-R964 PolarHBondContact N-O 3.49Å; S956-R964 PolarHBondContact O-N 2.93Å; S956-R964 PolarHBondContact OG-O 3.41Å |
| 957 | S | 78.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 44 Ų | 44 | 58% | 0.58 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.3 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 958 | N | 77.9 | Confident | 85.4 | Confident | 59 Ų | 59 | 42 Ų | 42 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 13.7 | -174.8 | -159.7 | 101.3 | 0 | 0 | 0 | 112.5 | S962 R964 L1057 | N958-S962 PolarHBondContact N-O 3.14Å; N958-S962 PolarHBondContact O-OG 2.99Å; N958-R964 HydrophobicContact CB-CB 4.33Å; N958-R964 PolarHBondContact OD1-NE 3.12Å; N958-R964 PolarHBondContact OD1-NH2 2.72Å; N958-L1057 HydrophobicContact CB-CD1 3.64Å |
| 959 | G | 74.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.8 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G961 S962 | G959-G961 PolarHBondContact O-N 2.9Å; G959-S962 PolarHBondContact N-OG 3.03Å; G959-S962 PolarHBondContact O-N 2.92Å; G959-S962 PolarHBondContact O-OG 2.87Å |
| 960 | P | 71.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 41.4 Ų | 41.4 | 69% | 0.688 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 128.3 | -178.2 | -26.8 | 35.2 | 0 | 0 | 0 | 112.1 | S962 | P960-S962 PolarHBondContact O-N 3.31Š|
| 961 | G | 78.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 12.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G959 K1059 D1060 L1061 | G959-G961 PolarHBondContact O-N 2.9Å; G961-K1059 CarbonylContact O-C 3.58Å; G961-K1059 VanDerWaalsContact O-C 3.25Å; G961-D1060 PolarHBondContact O-N 3.48Å; G961-L1061 WeakPolarHBondContact CA-O 3.24Å; G961-L1061 WeakPolarHBondContact O-CB 3.44Å; G961-L1061 PolarHBondContact O-N 3.41Å |
| 962 | S | 83.8 | Confident | 85 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.5 | -172.5 | 70 | 0 | 0 | 0 | 0 | 115.4 | N958 G959 P960 I1058 | N958-S962 PolarHBondContact N-O 3.14Å; N958-S962 PolarHBondContact O-OG 2.99Å; G959-S962 PolarHBondContact N-OG 3.03Å; G959-S962 PolarHBondContact O-N 2.92Å; G959-S962 PolarHBondContact O-OG 2.87Å; P960-S962 PolarHBondContact O-N 3.31Å; S962-I1058 CarbonylContact C-O 3.36Å; S962-I1058 VanDerWaalsContact CA-O 3.24Å; S962-I1058 WeakPolarHBondContact CA-O 3.19Å; S962-I1058 VanDerWaalsContact CB-O 3.3Å; S962-I1058 WeakPolarHBondContact CB-O 3.38Å |
| 963 | I | 88.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 132.4 | -176.5 | -168.3 | 84.4 | 0 | 0 | 0 | 110.1 | A955 S956 I965 I1058 L1061 F1087 I1089 | A955-I963 HydrophobicContact CB-CD1 4.37Å; A955-I963 HydrophobicContact CB-CG1 4.3Å; S956-I963 VanDerWaalsContact C-CD1 3.49Å; S956-I963 WeakPolarHBondContact O-CD1 3.36Å; I963-I965 HydrophobicContact CG1-CG1 4.36Å; I963-I1058 HydrophobicContact CG2-CB 3.85Å; I963-I1058 HydrophobicContact CG2-CD1 3.78Å; I963-I1058 HydrophobicContact CG2-CG1 3.91Å; I963-I1058 PolarHBondContact N-O 3.49Å; I963-I1058 PolarHBondContact O-N 2.91Å; I963-L1061 HydrophobicContact CG2-CD1 3.73Å; I963-F1087 HydrophobicContact CB-CD2 4.18Å; I963-F1087 HydrophobicContact CB-CE2 4.16Å; I963-F1087 HydrophobicContact CD1-CB 3.83Å; I963-F1087 HydrophobicContact CD1-CD2 3.84Å; I963-F1087 HydrophobicContact CD1-CG 3.87Å; I963-F1087 HydrophobicContact CG1-CB 4.3Å; I963-F1087 HydrophobicContact CG1-CD1 4.24Å; I963-F1087 HydrophobicContact CG1-CD2 3.89Å; I963-F1087 HydrophobicContact CG1-CE2 4.29Å; I963-F1087 HydrophobicContact CG1-CG 3.88Å; I963-F1087 HydrophobicContact CG2-CD2 4.26Å; I963-F1087 HydrophobicContact CG2-CE1 4.22Å; I963-F1087 HydrophobicContact CG2-CE2 3.79Å; I963-F1087 HydrophobicContact CG2-CZ 3.77Å; I963-I1089 HydrophobicContact CB-CD1 4.33Å |
| 964 | R | 89.5 | Confident | 84.7 | Confident | 74 Ų | 74 | 48.4 Ų | 48.4 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.1 | 173.6 | -175 | -163.8 | -58 | -162.3 | 7.2 | 108.9 | A955 S956 N958 T966 V1018 P1020 I1056 L1057 | A955-R964 CarbonylContact C-O 3.4Å; A955-R964 WeakPolarHBondContact CA-O 3.14Å; S956-R964 PolarHBondContact N-O 3.49Å; S956-R964 PolarHBondContact O-N 2.93Å; S956-R964 PolarHBondContact OG-O 3.41Å; N958-R964 HydrophobicContact CB-CB 4.33Å; N958-R964 PolarHBondContact OD1-NE 3.12Å; N958-R964 PolarHBondContact OD1-NH2 2.72Å; R964-T966 HydrophobicContact CG-CG2 4.46Å; R964-V1018 HydrophobicContact CG-CG1 3.96Å; R964-P1020 PolarHBondContact NH1-O 3.06Å; R964-I1056 WeakPolarHBondContact CA-O 3.45Å; R964-L1057 HydrophobicContact CB-CD1 4.33Å |
| 965 | I | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.2 | 179.3 | -59.2 | 173.8 | 0 | 0 | 0 | 108.6 | Y954 A955 I963 W967 L982 G1055 I1056 I1058 F1068 I1070 F1087 | Y954-I965 CarbonylContact O-C 3.56Å; Y954-I965 VanDerWaalsContact O-CA 3.32Å; Y954-I965 WeakPolarHBondContact O-CA 3.35Å; A955-I965 HydrophobicContact CB-CG1 4.19Å; I963-I965 HydrophobicContact CG1-CG1 4.36Å; I965-W967 HydrophobicContact CG2-CE3 4.18Å; I965-W967 HydrophobicContact CG2-CZ3 4.18Å; I965-L982 HydrophobicContact CD1-CD1 4.15Å; I965-L982 HydrophobicContact CD1-CD2 4.16Å; I965-G1055 CarbonylContact O-C 3.52Å; I965-G1055 WeakPolarHBondContact O-CA 3.23Å; I965-I1056 HydrophobicContact CB-CG2 4.42Å; I965-I1056 PolarHBondContact N-O 3.32Å; I965-I1056 PolarHBondContact O-N 2.92Å; I965-I1058 HydrophobicContact CD1-CD1 3.9Å; I965-F1068 HydrophobicContact CD1-CD1 4.35Å; I965-F1068 HydrophobicContact CD1-CD2 3.9Å; I965-F1068 HydrophobicContact CD1-CE1 4.38Å; I965-F1068 HydrophobicContact CD1-CE2 3.97Å; I965-F1068 HydrophobicContact CD1-CG 4.09Å; I965-F1068 HydrophobicContact CD1-CZ 4.2Å; I965-F1068 HydrophobicContact CG1-CE2 4.43Å; I965-F1068 HydrophobicContact CG1-CZ 4.38Å; I965-F1068 HydrophobicContact CG2-CD2 4.33Å; I965-F1068 HydrophobicContact CG2-CE2 3.56Å; I965-F1068 HydrophobicContact CG2-CZ 3.96Å; I965-I1070 HydrophobicContact CG2-CD1 3.97Å; I965-F1087 HydrophobicContact CD1-CE1 4.42Å |
| 966 | T | 91.2 | Very high | 84.1 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.3 | -179.4 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | I953 Y954 R964 V1018 G1054 | I953-T966 CarbonylContact C-O 3.46Å; I953-T966 WeakPolarHBondContact CA-O 3.4Å; Y954-T966 PolarHBondContact N-O 2.9Å; Y954-T966 PolarHBondContact O-N 2.64Å; R964-T966 HydrophobicContact CG-CG2 4.46Å; T966-V1018 HydrophobicContact CG2-CG1 4.43Å; T966-G1054 CarbonylContact C-O 3.55Å; T966-G1054 WeakPolarHBondContact CA-O 3.29Å; T966-G1054 VanDerWaalsContact CB-O 3.27Å; T966-G1054 WeakPolarHBondContact CB-O 3.23Å |
| 967 | W | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 165.9 | 179 | 64.1 | 99.6 | 0 | 0 | 0 | 111.4 | I948 S952 I953 I965 Y980 V1010 W1015 K1053 G1054 I1056 I1070 | I948-W967 HydrophobicContact CG2-CB 4.11Å; I948-W967 HydrophobicContact CG2-CG 4.37Å; S952-W967 WeakPolarHBondContact O-CA 3.04Å; I953-W967 HydrophobicContact CG1-CB 4.12Å; I965-W967 HydrophobicContact CG2-CE3 4.18Å; I965-W967 HydrophobicContact CG2-CZ3 4.18Å; W967-Y980 AromaticContact CD1-CE1 3.99Å; W967-Y980 AromaticContact CE2-CG 3.94Å; W967-Y980 HydrophobicContact CZ2-CD1 4.37Å; W967-Y980 AromaticContact CZ2-CD2 3.85Å; W967-Y980 HydrophobicContact CZ2-CD2 3.85Å; W967-Y980 AromaticContact CZ2-CG 3.75Å; W967-Y980 HydrophobicContact CZ2-CG 3.75Å; W967-Y980 AromaticContact NE1-CD1 3.29Å; W967-Y980 VanDerWaalsContact NE1-CD1 3.29Å; W967-Y980 AromaticContact NE1-CD2 3.75Å; W967-Y980 AromaticContact NE1-CE1 3.32Å; W967-Y980 VanDerWaalsContact NE1-CE1 3.32Å; W967-Y980 AromaticContact NE1-CE2 3.77Å; W967-Y980 AromaticContact NE1-CG 3.52Å; W967-Y980 AromaticContact NE1-CZ 3.57Å; W967-V1010 HydrophobicContact CH2-CB 4.36Å; W967-V1010 HydrophobicContact CH2-CG1 4.15Å; W967-V1010 HydrophobicContact CH2-CG2 4.19Å; W967-V1010 HydrophobicContact CZ2-CB 4.46Å; W967-V1010 HydrophobicContact CZ2-CG1 4.43Å; W967-W1015 AromaticContact CD1-NE1 3.67Å; W967-W1015 AromaticContact CD2-NE1 3.77Å; W967-W1015 AromaticContact CE2-CD1 3.38Å; W967-W1015 AromaticContact CE2-NE1 3.37Å; W967-W1015 AromaticContact CG-NE1 3.97Å; W967-W1015 AromaticContact CH2-CD1 3.93Å; W967-W1015 AromaticContact CZ2-CD1 3.33Å; W967-W1015 HydrophobicContact CZ2-CG 4.34Å; W967-W1015 AromaticContact CZ2-NE1 3.86Å; W967-W1015 AromaticContact NE1-CD1 3.67Å; W967-W1015 AromaticContact NE1-NE1 3.28Å; W967-W1015 PolarHBondContact O-NE1 2.84Å; W967-K1053 WeakPolarHBondContact O-CA 3.39Å; W967-G1054 PolarHBondContact N-O 3.44Å; W967-G1054 PolarHBondContact O-N 3.17Å; W967-I1056 HydrophobicContact CH2-CB 4.44Å; W967-I1056 HydrophobicContact CH2-CG2 4.11Å; W967-I1056 HydrophobicContact CZ3-CG2 4.02Å; W967-I1070 HydrophobicContact CB-CD1 4.19Å; W967-I1070 HydrophobicContact CD2-CD1 3.73Å; W967-I1070 HydrophobicContact CD2-CG2 4.18Å; W967-I1070 HydrophobicContact CE3-CD1 3.5Å; W967-I1070 HydrophobicContact CG-CD1 4.06Å; W967-I1070 HydrophobicContact CH2-CG2 4.47Å; W967-I1070 HydrophobicContact CZ2-CG2 4.07Å; W967-I1070 HydrophobicContact CZ3-CD1 4.08Å |
| 968 | S | 89.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 155.2 | 173 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | S952 T1052 | S952-S968 WeakPolarHBondContact CB-OG 3.48Å; S952-S968 PolarHBondContact OG-N 3.27Å; S952-S968 PolarHBondContact OG-OG 3.04Å; S968-T1052 WeakPolarHBondContact CA-O 3.35Å; S968-T1052 WeakPolarHBondContact CB-O 3.25Å |
| 969 | S | 85.9 | Confident | 84.8 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -63 | 148.5 | 171.3 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | T1052 | S969-T1052 PolarHBondContact N-O 3.17Å; S969-T1052 VanDerWaalsContact N-O 3.14Å |
| 970 | P | 86.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 151.5 | 162.3 | -24.3 | 34.4 | 0 | 0 | 0 | 112.7 | S945 D946 I977 A1072 | S945-P970 WeakPolarHBondContact O-CB 3.43Å; D946-P970 VanDerWaalsContact O-CG 3.27Å; D946-P970 WeakPolarHBondContact O-CG 3.31Å; P970-I977 HydrophobicContact CG-CD1 4.13Å; P970-I977 HydrophobicContact CG-CG1 4.48Å; P970-A1072 HydrophobicContact CG-CB 4.38Å |
| 971 | I | 81.5 | Confident | 86.4 | Confident | 139 Ų | 139 | 30.1 Ų | 30.1 | 71% | 0.713 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -84.4 | -37.7 | -167.6 | -55.5 | 175.6 | 0 | 0 | 0 | 112.7 | ||
| 972 | K | 83.4 | Confident | 87.1 | Confident | 166 Ų | 166 | 29.4 Ų | 29.4 | 72% | 0.722 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -138.7 | 74 | 176.9 | -71.8 | -166.7 | 177 | -171.6 | 0 | 109.3 | S945 | S945-K972 WeakPolarHBondContact CB-O 3.44Å; S945-K972 PolarHBondContact OG-O 2.77Å |
| 973 | P | 85.7 | Confident | 87.5 | Confident | 35 Ų | 35 | 31.5 Ų | 31.5 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | trans | -63.5 | 164.3 | -179.4 | 29.9 | -37.2 | 0 | 0 | 0 | 112 | S945 D946 G975 I977 | S945-P973 WeakPolarHBondContact O-CA 3.18Å; D946-P973 VanDerWaalsContact OD1-CA 3.25Å; D946-P973 WeakPolarHBondContact OD1-CA 3.14Å; D946-P973 WeakPolarHBondContact OD1-CB 3.26Å; P973-G975 PolarHBondContact O-N 3.35Å; P973-I977 HydrophobicContact CB-CD1 3.57Å; P973-I977 HydrophobicContact CB-CG1 3.8Å; P973-I977 HydrophobicContact CG-CD1 4.45Å; P973-I977 HydrophobicContact CG-CG1 4.15Å | ||
| 974 | N | 86.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -72.9 | 91 | 171.7 | -67.7 | -60.3 | 0 | 0 | 0 | 109.7 | F871 P941 H942 D946 L976 L1075 A1076 | F871-N974 HydrophobicContact CB-CB 4.03Å; F871-N974 VanDerWaalsContact CD1-C 3.49Å; F871-N974 HydrophobicContact CD1-CB 4.31Å; F871-N974 HydrophobicContact CD2-CB 4.15Å; F871-N974 HydrophobicContact CG-CB 3.89Å; P941-N974 WeakPolarHBondContact CA-OD1 3.22Å; P941-N974 HydrophobicContact CB-CB 4.16Å; P941-N974 WeakPolarHBondContact CB-OD1 3.35Å; H942-N974 PolarHBondContact N-OD1 2.95Å; H942-N974 PolarHBondContact O-ND2 2.92Å; H942-N974 PolarHBondContact O-OD1 2.93Å; D946-N974 PolarHBondContact OD1-N 3.2Å; D946-N974 PolarHBondContact OD2-ND2 3.35Å; N974-L976 PolarHBondContact O-N 2.95Å; N974-L1075 PolarHBondContact O-N 3.16Å; N974-A1076 HydrophobicContact CB-CB 3.54Å |
| 975 | G | 82.2 | Confident | 87.6 | Confident | 38 Ų | 38 | 32 Ų | 32 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 78.5 | -100.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P973 | P973-G975 PolarHBondContact O-N 3.35Š|
| 976 | L | 82.3 | Confident | 87.4 | Confident | 40 Ų | 40 | 34.6 Ų | 34.6 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | trans | -131.9 | 146.8 | -178.4 | -156.5 | 81.8 | 0 | 0 | 0 | 110 | P728 L732 N974 S1074 L1075 | P728-L976 HydrophobicContact CB-CD1 4.26Å; P728-L976 HydrophobicContact CG-CD1 4.49Å; L732-L976 HydrophobicContact CD1-CD2 4.45Å; L732-L976 HydrophobicContact CD2-CD2 4.1Å; L732-L976 HydrophobicContact CG-CD2 4.01Å; N974-L976 PolarHBondContact O-N 2.95Å; L976-S1074 CarbonylContact O-C 3.49Å; L976-S1074 WeakPolarHBondContact O-CA 3.33Å; L976-L1075 HydrophobicContact CB-CD1 3.93Å; L976-L1075 HydrophobicContact CB-CG 4.03Å; L976-L1075 PolarHBondContact O-N 2.96Å | ||
| 977 | I | 84.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.7 | 163.3 | -61.7 | -56.3 | 0 | 0 | 0 | 109.1 | P970 P973 Y980 L1012 A1072 | P970-I977 HydrophobicContact CG-CD1 4.13Å; P970-I977 HydrophobicContact CG-CG1 4.48Å; P973-I977 HydrophobicContact CB-CD1 3.57Å; P973-I977 HydrophobicContact CB-CG1 3.8Å; P973-I977 HydrophobicContact CG-CD1 4.45Å; P973-I977 HydrophobicContact CG-CG1 4.15Å; I977-Y980 HydrophobicContact CG2-CE1 4.21Å; I977-Y980 HydrophobicContact CG2-CE2 4.36Å; I977-L1012 HydrophobicContact CG2-CD2 4.3Å; I977-L1012 WeakPolarHBondContact O-CD1 3.44Å; I977-A1072 HydrophobicContact CD1-CB 4.23Å |
| 978 | I | 84.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -53 | -175.2 | -53.3 | -178.7 | 0 | 0 | 0 | 110.6 | F736 W743 I744 L1012 I1073 S1074 L1075 | F736-I978 HydrophobicContact CB-CG2 3.51Å; F736-I978 HydrophobicContact CD1-CG2 3.9Å; F736-I978 HydrophobicContact CD2-CG2 3.19Å; F736-I978 HydrophobicContact CE1-CG2 4.42Å; F736-I978 HydrophobicContact CE2-CG2 3.77Å; F736-I978 HydrophobicContact CG-CG2 3.24Å; F736-I978 HydrophobicContact CZ-CG2 4.36Å; W743-I978 HydrophobicContact CH2-CD1 3.67Å; W743-I978 HydrophobicContact CZ3-CD1 4.33Å; I744-I978 HydrophobicContact CD1-CD1 3.69Å; I744-I978 HydrophobicContact CD1-CG2 4.31Å; I744-I978 HydrophobicContact CG1-CD1 4.24Å; I978-L1012 WeakPolarHBondContact O-CD1 3.34Å; I978-L1012 WeakPolarHBondContact O-CG 3.3Å; I978-I1073 HydrophobicContact CB-CG2 4.5Å; I978-I1073 HydrophobicContact CD1-CG2 4.38Å; I978-I1073 PolarHBondContact N-O 3.27Å; I978-S1074 WeakPolarHBondContact CD1-O 3.39Å; I978-L1075 HydrophobicContact CD1-CD2 3.98Å; I978-L1075 HydrophobicContact CG1-CD2 4.22Å |
| 979 | H | 87.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 175 | 175.7 | 74.3 | 87 | 0 | 0 | 0 | 110.5 | C1009 I1073 | H979-C1009 PolarHBondContact CE1-SG 2.84Å; H979-C1009 PolarHBondContact ND1-SG 2.87Å; H979-C1009 VanDerWaalsContact ND1-SG 3.36Å; H979-I1073 PolarHBondContact O-N 3.1Å |
| 980 | Y | 91.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 164.5 | 172.4 | -54 | -86.5 | 0 | 0 | 0 | 111.1 | I948 W967 I977 V1010 L1012 W1015 L1071 A1072 | I948-Y980 HydrophobicContact CD1-CD1 4.03Å; I948-Y980 HydrophobicContact CD1-CE1 4.35Å; W967-Y980 AromaticContact CD1-CE1 3.99Å; W967-Y980 AromaticContact CE2-CG 3.94Å; W967-Y980 HydrophobicContact CZ2-CD1 4.37Å; W967-Y980 AromaticContact CZ2-CD2 3.85Å; W967-Y980 HydrophobicContact CZ2-CD2 3.85Å; W967-Y980 AromaticContact CZ2-CG 3.75Å; W967-Y980 HydrophobicContact CZ2-CG 3.75Å; W967-Y980 AromaticContact NE1-CD1 3.29Å; W967-Y980 VanDerWaalsContact NE1-CD1 3.29Å; W967-Y980 AromaticContact NE1-CD2 3.75Å; W967-Y980 AromaticContact NE1-CE1 3.32Å; W967-Y980 VanDerWaalsContact NE1-CE1 3.32Å; W967-Y980 AromaticContact NE1-CE2 3.77Å; W967-Y980 AromaticContact NE1-CG 3.52Å; W967-Y980 AromaticContact NE1-CZ 3.57Å; I977-Y980 HydrophobicContact CG2-CE1 4.21Å; I977-Y980 HydrophobicContact CG2-CE2 4.36Å; Y980-V1010 PolarHBondContact N-O 3.47Å; Y980-V1010 PolarHBondContact O-N 2.99Å; Y980-L1012 HydrophobicContact CE2-CD2 4.21Å; Y980-W1015 HydrophobicContact CD2-CB 4.25Å; Y980-W1015 HydrophobicContact CD2-CD2 4.46Å; Y980-W1015 HydrophobicContact CD2-CG 4.01Å; Y980-W1015 HydrophobicContact CE2-CB 4.22Å; Y980-W1015 AromaticContact CE2-CD1 3.88Å; Y980-W1015 AromaticContact CE2-CD2 3.64Å; Y980-W1015 HydrophobicContact CE2-CD2 3.64Å; Y980-W1015 AromaticContact CE2-CE2 3.86Å; Y980-W1015 HydrophobicContact CE2-CE3 4.16Å; Y980-W1015 AromaticContact CE2-CG 3.66Å; Y980-W1015 HydrophobicContact CE2-CG 3.66Å; Y980-W1015 AromaticContact CE2-NE1 3.98Å; Y980-L1071 CarbonylContact C-O 3.44Å; Y980-L1071 VanDerWaalsContact CA-O 3.22Å; Y980-L1071 WeakPolarHBondContact CA-O 3.46Å; Y980-L1071 WeakPolarHBondContact CB-O 3.37Å; Y980-A1072 HydrophobicContact CD1-CB 3.75Å; Y980-A1072 HydrophobicContact CE1-CB 3.8Å |
| 981 | I | 90.7 | Very high | 78.9 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.6 | 168.1 | -54.3 | -176.7 | 0 | 0 | 0 | 107.9 | T1007 N1008 I1070 L1071 I1073 W1081 | I981-T1007 HydrophobicContact CG2-CG2 3.37Å; I981-N1008 WeakPolarHBondContact CA-O 3.43Å; I981-I1070 CarbonylContact O-C 3.59Å; I981-I1070 WeakPolarHBondContact O-CA 3.39Å; I981-L1071 HydrophobicContact CB-CB 4.39Å; I981-L1071 HydrophobicContact CB-CD2 4.5Å; I981-L1071 HydrophobicContact CD1-CD2 4.34Å; I981-L1071 PolarHBondContact N-O 3.14Å; I981-L1071 PolarHBondContact O-N 2.69Å; I981-I1073 HydrophobicContact CD1-CD1 3.76Å; I981-I1073 HydrophobicContact CG1-CD1 4.25Å; I981-W1081 HydrophobicContact CB-CH2 4.21Å; I981-W1081 HydrophobicContact CG2-CH2 3.75Å; I981-W1081 HydrophobicContact CG2-CZ3 4.42Å |
| 982 | L | 91.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.4 | 171.2 | 171.8 | 72.5 | 0 | 0 | 0 | 108.4 | I965 Y984 T1007 N1008 V1010 I1056 I1058 F1068 I1070 | I965-L982 HydrophobicContact CD1-CD1 4.15Å; I965-L982 HydrophobicContact CD1-CD2 4.16Å; L982-Y984 HydrophobicContact CD2-CD1 4.38Å; L982-Y984 HydrophobicContact CG-CD1 4.45Å; L982-T1007 CarbonylContact O-C 3.54Å; L982-T1007 WeakPolarHBondContact O-CA 3.47Å; L982-N1008 HydrophobicContact CB-CB 4.46Å; L982-N1008 PolarHBondContact N-O 2.88Å; L982-N1008 PolarHBondContact O-N 2.77Å; L982-V1010 HydrophobicContact CB-CG2 4.34Å; L982-I1056 HydrophobicContact CD2-CG2 3.76Å; L982-I1058 HydrophobicContact CD2-CD1 3.81Å; L982-I1058 HydrophobicContact CD2-CG1 4.24Å; L982-F1068 HydrophobicContact CD1-CB 4.27Å; L982-F1068 HydrophobicContact CD1-CD2 3.72Å; L982-F1068 HydrophobicContact CD1-CG 4.4Å; L982-I1070 HydrophobicContact CD1-CG1 4.04Å |
| 983 | R | 92.5 | Very high | 74.6 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.2 | 165.8 | 71.2 | 178.6 | -178.1 | -156.2 | -1 | 111.6 | W1005 L1006 F1068 Q1069 W1081 | R983-W1005 HydrophobicContact CB-CB 4.34Å; R983-W1005 HydrophobicContact CB-CD2 4.41Å; R983-W1005 HydrophobicContact CB-CE3 3.89Å; R983-W1005 HydrophobicContact CG-CD2 4.01Å; R983-W1005 HydrophobicContact CG-CE3 3.52Å; R983-W1005 HydrophobicContact CG-CZ3 3.86Å; R983-L1006 CarbonylContact C-O 3.03Å; R983-L1006 WeakPolarHBondContact CA-O 3.43Å; R983-F1068 CarbonylContact O-C 3.58Å; R983-F1068 WeakPolarHBondContact O-CA 3.5Å; R983-F1068 WeakPolarHBondContact O-CB 3.49Å; R983-Q1069 HydrophobicContact CG-CB 4.04Å; R983-Q1069 VanDerWaalsContact CZ-OE1 3.27Å; R983-Q1069 PolarHBondContact N-O 2.7Å; R983-Q1069 PolarHBondContact O-N 3.1Å; R983-W1081 HydrophobicContact CB-CH2 3.93Å; R983-W1081 HydrophobicContact CB-CZ3 3.93Å; R983-W1081 HydrophobicContact CG-CE3 3.95Å; R983-W1081 HydrophobicContact CG-CH2 3.8Å; R983-W1081 HydrophobicContact CG-CZ2 4.5Å; R983-W1081 HydrophobicContact CG-CZ3 3.5Å; R983-W1081 VanDerWaalsContact NH1-CE2 3.33Å |
| 984 | Y | 91.5 | Very high | 72.3 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 156.5 | 177.9 | 64.1 | -81.1 | 0 | 0 | 0 | 112.7 | L982 L1006 I1058 L1061 Y1066 E1067 | L982-Y984 HydrophobicContact CD2-CD1 4.38Å; L982-Y984 HydrophobicContact CG-CD1 4.45Å; Y984-L1006 HydrophobicContact CD1-CB 4.3Å; Y984-L1006 HydrophobicContact CD2-CB 4.27Å; Y984-L1006 HydrophobicContact CD2-CD1 4.21Å; Y984-L1006 HydrophobicContact CE1-CB 3.95Å; Y984-L1006 HydrophobicContact CE2-CB 3.93Å; Y984-L1006 HydrophobicContact CE2-CD1 3.52Å; Y984-L1006 HydrophobicContact CE2-CG 4.37Å; Y984-L1006 HydrophobicContact CG-CB 4.45Å; Y984-L1006 PolarHBondContact N-O 3.07Å; Y984-L1006 WeakPolarHBondContact O-CB 3.49Å; Y984-L1006 PolarHBondContact O-N 3.49Å; Y984-I1058 HydrophobicContact CD1-CD1 4.13Å; Y984-I1058 HydrophobicContact CE1-CD1 4.19Å; Y984-I1058 HydrophobicContact CG-CD1 4.39Å; Y984-L1061 HydrophobicContact CD2-CD2 4.31Å; Y984-L1061 HydrophobicContact CE2-CD2 3.57Å; Y984-Y1066 HydrophobicContact CD2-CD1 4.32Å; Y984-E1067 CarbonylContact C-O 3.59Å; Y984-E1067 WeakPolarHBondContact CA-O 3.39Å |
| 985 | R | 89.4 | Confident | 69.7 | Low | 66 Ų | 66 | 74.3 Ų | 74.3 | 25% | 0.249 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 160.1 | 172.4 | 62 | -179.9 | -179.1 | 156.6 | 7.2 | 112.6 | V1003 W1005 Y1066 E1067 | R985-V1003 WeakPolarHBondContact CD-O 3.44Å; R985-V1003 PolarHBondContact NH1-O 3.39Å; R985-W1005 HydrophobicContact CB-CE3 4.35Å; R985-W1005 HydrophobicContact CG-CD2 4.06Å; R985-W1005 HydrophobicContact CG-CE3 3.86Å; R985-W1005 HydrophobicContact CG-CH2 4.39Å; R985-W1005 HydrophobicContact CG-CZ3 4.04Å; R985-Y1066 CarbonylContact O-C 3.6Å; R985-Y1066 VanDerWaalsContact O-CA 3.29Å; R985-Y1066 WeakPolarHBondContact O-CA 3.34Å; R985-E1067 HydrophobicContact CG-CG 3.8Å; R985-E1067 IonicContact CZ-OE1 2.83Å; R985-E1067 PolarHBondContact N-O 2.84Å; R985-E1067 IonicContact NE-OE1 2.68Å; R985-E1067 PolarHBondContact NE-OE1 2.98Å; R985-E1067 IonicContact NH2-OE1 3.8Å; R985-E1067 PolarHBondContact NH2-OE1 3.42Å; R985-E1067 PolarHBondContact O-N 3.22Å |
| 986 | P | 84.8 | Confident | 67.8 | Low | 54 Ų | 54 | 83.6 Ų | 83.6 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 151.6 | 169.8 | -19.3 | 32 | 0 | 0 | 0 | 112.5 | S1065 Y1066 | P986-S1065 WeakPolarHBondContact CA-O 3.34Å; P986-Y1066 HydrophobicContact CB-CE1 4.45Å; P986-Y1066 HydrophobicContact CG-CD1 4.26Å; P986-Y1066 HydrophobicContact CG-CE1 3.83Å |
| 987 | R | 81.1 | Confident | 65.4 | Low | 125 Ų | 125 | 87.3 Ų | 87.3 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 120.9 | 176.7 | -178.9 | 178.7 | 176.8 | -179.8 | 0.7 | 110.9 | S1065 | R987-S1065 PolarHBondContact N-O 3.42Š|
| 988 | N | 62.6 | Low | 63.3 | Low | 119 Ų | 119 | 96.9 Ų | 96.9 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 142.7 | 173 | -75.7 | 11.7 | 0 | 0 | 0 | 111.1 | ||
| 989 | H | 51.7 | Low | 61 | Low | 146 Ų | 146 | 101.6 Ų | 101.6 | 68% | 0.676 | 52% | 0.52 | S | S | * | . | trans | -124.4 | 112.6 | 173.8 | -100 | -88.2 | 0 | 0 | 0 | 109.7 | ||||
| 990 | D | 39.3 | Very low | 58.6 | Low | 156 Ų | 156 | 109.1 Ų | 109.1 | 83% | 0.834 | 56% | 0.56 | S | S | * | * | trans | -77.8 | 126.3 | 167 | -64.4 | -61.4 | 0 | 0 | 0 | 110.1 | ||||
| 991 | S | 33.1 | Very low | 56.3 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | trans | 173.5 | 147 | 130 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 992 | H | 40 | Very low | 54.8 | Low | 170 Ų | 170 | 121.2 Ų | 121.2 | 79% | 0.787 | 63% | 0.629 | S | S | * | * | trans | 78.4 | 120.4 | 167.6 | -62.5 | -69.6 | 0 | 0 | 0 | 120.9 | ||||
| 993 | T | 35.1 | Very low | 53.4 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | 77 | 123.3 | 151.9 | 44.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 994 | D | 37.3 | Very low | 52.6 | Low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | trans | 79 | 85 | 146.1 | -56.1 | -7 | 0 | 0 | 0 | 121.5 | Y996 | D994-Y996 PolarHBondContact O-N 3.41Š| ||
| 995 | N | 31.3 | Very low | 52.1 | Low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | 50.8 | 64.9 | 128.7 | -70.9 | -21 | 0 | 0 | 0 | 119.5 | |||||
| 996 | Y | 41.4 | Very low | 51.9 | Low | 233 Ų | 233 | 129.7 Ų | 129.7 | 91% | 0.914 | 69% | 0.687 | S | S | * | * | trans | -143.8 | 133.3 | 142.7 | -92.6 | -72 | 0 | 0 | 0 | 111.9 | D994 F998 | D994-Y996 PolarHBondContact O-N 3.41Å; Y996-F998 PolarHBondContact O-N 2.98Å | ||
| 997 | S | 33.1 | Very low | 51.9 | Low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | trans | -83.3 | 92.6 | -178.7 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 998 | F | 39.5 | Very low | 52.2 | Low | 211 Ų | 211 | 127.9 Ų | 127.9 | 93% | 0.925 | 69% | 0.687 | S | S | * | * | trans | -140 | 94.7 | 169.3 | -120 | -86.3 | 0 | 0 | 0 | 109.7 | Y996 | Y996-F998 PolarHBondContact O-N 2.98Š| ||
| 999 | S | 37.2 | Very low | 53.4 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -95.4 | 145.4 | -179.6 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1000 | D | 36.6 | Very low | 55.1 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 87% | 0.872 | 64% | 0.638 | S | S | * | * | trans | 59.5 | 82.5 | 166 | -61.2 | -29.7 | 0 | 0 | 0 | 118.2 | ||||
| 1001 | M | 43 | Very low | 57.3 | Low | 181 Ų | 181 | 110.2 Ų | 110.2 | 89% | 0.892 | 60% | 0.601 | S | S | * | * | trans | -129.4 | 98.1 | 150.3 | -161.6 | 174.4 | 74 | 0 | 0 | 109.7 | ||||
| 1002 | S | 57.8 | Low | 59.5 | Low | 100 Ų | 100 | 107.3 Ų | 107.3 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.9 | -175.2 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1003 | V | 63.1 | Low | 61.1 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 35% | 0.345 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 125.5 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | R985 | R985-V1003 WeakPolarHBondContact CD-O 3.44Å; R985-V1003 PolarHBondContact NH1-O 3.39Å |
| 1004 | P | 75.2 | Confident | 63.2 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 156.3 | -178.8 | 29.5 | -35.5 | 0 | 0 | 0 | 112.4 | L1006 | P1004-L1006 PolarHBondContact O-N 2.89Š|
| 1005 | W | 82.2 | Confident | 65.4 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 27% | 0.269 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 120 | 176.2 | -71.4 | 95.6 | 0 | 0 | 0 | 111.8 | R983 R985 T1007 E1067 Q1069 | R983-W1005 HydrophobicContact CB-CB 4.34Å; R983-W1005 HydrophobicContact CB-CD2 4.41Å; R983-W1005 HydrophobicContact CB-CE3 3.89Å; R983-W1005 HydrophobicContact CG-CD2 4.01Å; R983-W1005 HydrophobicContact CG-CE3 3.52Å; R983-W1005 HydrophobicContact CG-CZ3 3.86Å; R985-W1005 HydrophobicContact CB-CE3 4.35Å; R985-W1005 HydrophobicContact CG-CD2 4.06Å; R985-W1005 HydrophobicContact CG-CE3 3.86Å; R985-W1005 HydrophobicContact CG-CH2 4.39Å; R985-W1005 HydrophobicContact CG-CZ3 4.04Å; W1005-T1007 PolarHBondContact O-OG1 3.42Å; W1005-E1067 HydrophobicContact CH2-CG 3.89Å; W1005-E1067 WeakPolarHBondContact CH2-OE1 3.27Å; W1005-E1067 WeakPolarHBondContact CZ2-OE1 3.46Å; W1005-E1067 HydrophobicContact CZ3-CG 4.21Å; W1005-Q1069 HydrophobicContact CH2-CG 4.5Å |
| 1006 | L | 83.8 | Confident | 67.5 | Low | 92 Ų | 92 | 86.8 Ų | 86.8 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.5 | 164.2 | -63.2 | 171.4 | 0 | 0 | 0 | 108.5 | R983 Y984 P1004 | R983-L1006 CarbonylContact C-O 3.03Å; R983-L1006 WeakPolarHBondContact CA-O 3.43Å; Y984-L1006 HydrophobicContact CD1-CB 4.3Å; Y984-L1006 HydrophobicContact CD2-CB 4.27Å; Y984-L1006 HydrophobicContact CD2-CD1 4.21Å; Y984-L1006 HydrophobicContact CE1-CB 3.95Å; Y984-L1006 HydrophobicContact CE2-CB 3.93Å; Y984-L1006 HydrophobicContact CE2-CD1 3.52Å; Y984-L1006 HydrophobicContact CE2-CG 4.37Å; Y984-L1006 HydrophobicContact CG-CB 4.45Å; Y984-L1006 PolarHBondContact N-O 3.07Å; Y984-L1006 WeakPolarHBondContact O-CB 3.49Å; Y984-L1006 PolarHBondContact O-N 3.49Å; P1004-L1006 PolarHBondContact O-N 2.89Å |
| 1007 | T | 86.1 | Confident | 68.8 | Low | 83 Ų | 83 | 79.4 Ų | 79.4 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 119.5 | -170.9 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | I981 L982 W1005 | I981-T1007 HydrophobicContact CG2-CG2 3.37Å; L982-T1007 CarbonylContact O-C 3.54Å; L982-T1007 WeakPolarHBondContact O-CA 3.47Å; W1005-T1007 PolarHBondContact O-OG1 3.42Å |
| 1008 | N | 85.7 | Confident | 70.1 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.9 | 175.7 | -84.4 | -22.6 | 0 | 0 | 0 | 110.8 | I981 L982 | I981-N1008 WeakPolarHBondContact CA-O 3.43Å; L982-N1008 HydrophobicContact CB-CB 4.46Å; L982-N1008 PolarHBondContact N-O 2.88Å; L982-N1008 PolarHBondContact O-N 2.77Å |
| 1009 | C | 88.9 | Confident | 70.9 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 28% | 0.284 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.2 | 168.5 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | C737 H979 | C737-C1009 WeakPolarHBondContact CA-SG 3.3Å; C737-C1009 HydrophobicContact CB-CB 3.75Å; C737-C1009 WeakPolarHBondContact CB-SG 3.36Å; C737-C1009 WeakPolarHBondContact SG-CB 3.46Å; C737-C1009 CovalentContact SG-SG 2.04Å; C737-C1009 PolarHBondContact SG-SG 2.87Å; H979-C1009 PolarHBondContact CE1-SG 2.84Å; H979-C1009 PolarHBondContact ND1-SG 2.87Å; H979-C1009 VanDerWaalsContact ND1-SG 3.36Å |
| 1010 | V | 87.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 100.2 | -179.5 | -161.9 | 0 | 0 | 0 | 0 | 108.8 | C737 W967 Y980 L982 H1014 W1015 I1056 | C737-V1010 PolarHBondContact SG-N 2.97Å; W967-V1010 HydrophobicContact CH2-CB 4.36Å; W967-V1010 HydrophobicContact CH2-CG1 4.15Å; W967-V1010 HydrophobicContact CH2-CG2 4.19Å; W967-V1010 HydrophobicContact CZ2-CB 4.46Å; W967-V1010 HydrophobicContact CZ2-CG1 4.43Å; Y980-V1010 PolarHBondContact N-O 3.47Å; Y980-V1010 PolarHBondContact O-N 2.99Å; L982-V1010 HydrophobicContact CB-CG2 4.34Å; V1010-H1014 HydrophobicContact CG1-CB 4.23Å; V1010-W1015 HydrophobicContact CG1-CB 4.16Å; V1010-I1056 HydrophobicContact CG1-CB 4.21Å; V1010-I1056 HydrophobicContact CG1-CD1 4.25Å; V1010-I1056 HydrophobicContact CG2-CB 4.35Å; V1010-I1056 HydrophobicContact CG2-CD1 3.65Å; V1010-I1056 HydrophobicContact CG2-CG2 4.44Å |
| 1011 | S | 84.1 | Confident | 72.1 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 157.1 | 177.3 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | D735 C737 S1013 H1014 W1015 | D735-S1011 VanDerWaalsContact CG-CB 3.45Å; D735-S1011 VanDerWaalsContact OD1-CB 3.23Å; D735-S1011 WeakPolarHBondContact OD1-CB 3.29Å; D735-S1011 PolarHBondContact OD1-OG 3.12Å; D735-S1011 WeakPolarHBondContact OD2-CB 3.43Å; D735-S1011 PolarHBondContact OD2-OG 3.45Å; C737-S1011 PolarHBondContact SG-N 3.02Å; C737-S1011 VanDerWaalsContact SG-N 3.35Å; S1011-S1013 PolarHBondContact O-N 3.03Å; S1011-S1013 PolarHBondContact OG-OG 2.92Å; S1011-H1014 PolarHBondContact O-N 3.32Å; S1011-W1015 WeakPolarHBondContact O-CB 3.42Å; S1011-W1015 PolarHBondContact O-N 2.82Å |
| 1012 | L | 80.3 | Confident | 71.9 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.7 | -36 | 179.1 | -78.1 | 168.3 | 0 | 0 | 0 | 112.6 | L732 I977 I978 Y980 W1015 A1016 | L732-L1012 HydrophobicContact CD2-CD1 3.72Å; I977-L1012 HydrophobicContact CG2-CD2 4.3Å; I977-L1012 WeakPolarHBondContact O-CD1 3.44Å; I978-L1012 WeakPolarHBondContact O-CD1 3.34Å; I978-L1012 WeakPolarHBondContact O-CG 3.3Å; Y980-L1012 HydrophobicContact CE2-CD2 4.21Å; L1012-W1015 HydrophobicContact CD2-CE3 4.13Å; L1012-W1015 HydrophobicContact CD2-CZ3 4.45Å; L1012-A1016 WeakPolarHBondContact O-CB 3.35Å; L1012-A1016 PolarHBondContact O-N 3.19Å |
| 1013 | S | 74.4 | Confident | 70.9 | Confident | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.5 | -54.6 | 172.3 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | D735 S1011 T1017 F1030 | D735-S1013 PolarHBondContact OD2-OG 3.1Å; D735-S1013 VanDerWaalsContact OD2-OG 3.13Å; S1011-S1013 PolarHBondContact O-N 3.03Å; S1011-S1013 PolarHBondContact OG-OG 2.92Å; S1013-T1017 WeakPolarHBondContact O-CG2 3.05Å; S1013-T1017 PolarHBondContact O-N 2.82Å; S1013-F1030 VanDerWaalsContact CB-CZ 3.42Å |
| 1014 | H | 77.5 | Confident | 69.5 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 44% | 0.44 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | -179.6 | -147 | 133.3 | 0 | 0 | 0 | 111.2 | V1010 S1011 A1016 T1017 | V1010-H1014 HydrophobicContact CG1-CB 4.23Å; S1011-H1014 PolarHBondContact O-N 3.32Å; H1014-A1016 VanDerWaalsContact C-N 3.31Å; H1014-A1016 PolarHBondContact O-N 2.78Å; H1014-T1017 PolarHBondContact O-N 3.39Å; H1014-T1017 VanDerWaalsContact O-N 3.09Å; H1014-T1017 PolarHBondContact O-OG1 2.95Å |
| 1015 | W | 84.1 | Confident | 67.7 | Low | 15 Ų | 15 | 75.3 Ų | 75.3 | 6% | 0.057 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.8 | -44.8 | 178.4 | 177 | 74.9 | 0 | 0 | 0 | 112.4 | W967 Y980 V1010 S1011 L1012 T1017 V1018 T1052 G1054 G1055 | W967-W1015 AromaticContact CD1-NE1 3.67Å; W967-W1015 AromaticContact CD2-NE1 3.77Å; W967-W1015 AromaticContact CE2-CD1 3.38Å; W967-W1015 AromaticContact CE2-NE1 3.37Å; W967-W1015 AromaticContact CG-NE1 3.97Å; W967-W1015 AromaticContact CH2-CD1 3.93Å; W967-W1015 AromaticContact CZ2-CD1 3.33Å; W967-W1015 HydrophobicContact CZ2-CG 4.34Å; W967-W1015 AromaticContact CZ2-NE1 3.86Å; W967-W1015 AromaticContact NE1-CD1 3.67Å; W967-W1015 AromaticContact NE1-NE1 3.28Å; W967-W1015 PolarHBondContact O-NE1 2.84Å; Y980-W1015 HydrophobicContact CD2-CB 4.25Å; Y980-W1015 HydrophobicContact CD2-CD2 4.46Å; Y980-W1015 HydrophobicContact CD2-CG 4.01Å; Y980-W1015 HydrophobicContact CE2-CB 4.22Å; Y980-W1015 AromaticContact CE2-CD1 3.88Å; Y980-W1015 AromaticContact CE2-CD2 3.64Å; Y980-W1015 HydrophobicContact CE2-CD2 3.64Å; Y980-W1015 AromaticContact CE2-CE2 3.86Å; Y980-W1015 HydrophobicContact CE2-CE3 4.16Å; Y980-W1015 AromaticContact CE2-CG 3.66Å; Y980-W1015 HydrophobicContact CE2-CG 3.66Å; Y980-W1015 AromaticContact CE2-NE1 3.98Å; V1010-W1015 HydrophobicContact CG1-CB 4.16Å; S1011-W1015 WeakPolarHBondContact O-CB 3.42Å; S1011-W1015 PolarHBondContact O-N 2.82Å; L1012-W1015 HydrophobicContact CD2-CE3 4.13Å; L1012-W1015 HydrophobicContact CD2-CZ3 4.45Å; W1015-T1017 VanDerWaalsContact C-N 3.31Å; W1015-T1017 PolarHBondContact O-N 3.19Å; W1015-V1018 PolarHBondContact O-N 2.88Å; W1015-T1052 VanDerWaalsContact CH2-O 3.23Å; W1015-T1052 WeakPolarHBondContact CH2-O 3.41Å; W1015-T1052 VanDerWaalsContact CZ2-O 3.26Å; W1015-T1052 WeakPolarHBondContact CZ2-O 3.46Å; W1015-G1054 VanDerWaalsContact CD1-C 3.46Å; W1015-G1054 VanDerWaalsContact NE1-C 3.33Å; W1015-G1054 CarbonylContact O-C 3.52Å; W1015-G1054 WeakPolarHBondContact O-CA 3.44Å; W1015-G1055 WeakPolarHBondContact CA-O 3.41Å; W1015-G1055 VanDerWaalsContact CD1-N 3.27Å; W1015-G1055 PolarHBondContact O-N 3.42Å |
| 1016 | A | 74.7 | Confident | 65.7 | Low | 11 Ų | 11 | 75.9 Ų | 75.9 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.8 | -21.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1012 H1014 F1033 | L1012-A1016 WeakPolarHBondContact O-CB 3.35Å; L1012-A1016 PolarHBondContact O-N 3.19Å; H1014-A1016 VanDerWaalsContact C-N 3.31Å; H1014-A1016 PolarHBondContact O-N 2.78Å; A1016-F1033 HydrophobicContact CB-CD1 4.35Å; A1016-F1033 HydrophobicContact CB-CE1 3.82Å |
| 1017 | T | 69.1 | Low | 63.5 | Low | 79 Ų | 79 | 76.8 Ų | 76.8 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -79.6 | -26.5 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | S1013 H1014 W1015 K1019 | S1013-T1017 WeakPolarHBondContact O-CG2 3.05Å; S1013-T1017 PolarHBondContact O-N 2.82Å; H1014-T1017 PolarHBondContact O-N 3.39Å; H1014-T1017 VanDerWaalsContact O-N 3.09Å; H1014-T1017 PolarHBondContact O-OG1 2.95Å; W1015-T1017 VanDerWaalsContact C-N 3.31Å; W1015-T1017 PolarHBondContact O-N 3.19Å; T1017-K1019 VanDerWaalsContact C-N 3.28Å; T1017-K1019 PolarHBondContact O-N 3.36Å |
| 1018 | V | 61.1 | Low | 61.5 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 12% | 0.121 | 43% | 0.426 | C | S | . | . | trans | -84.3 | 73.2 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | R964 T966 W1015 G1054 G1055 | R964-V1018 HydrophobicContact CG-CG1 3.96Å; T966-V1018 HydrophobicContact CG2-CG1 4.43Å; W1015-V1018 PolarHBondContact O-N 2.88Å; V1018-G1054 CarbonylContact O-C 3.6Å; V1018-G1055 WeakPolarHBondContact CB-O 3.38Å; V1018-G1055 WeakPolarHBondContact CG2-O 3.21Å | ||
| 1019 | K | 56.3 | Low | 59.5 | Low | 82 Ų | 82 | 78.2 Ų | 78.2 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | trans | -81.6 | 158.3 | 167.9 | -70.1 | -179.8 | -177.1 | 172 | 0 | 110.9 | T1017 E1021 F1033 | T1017-K1019 VanDerWaalsContact C-N 3.28Å; T1017-K1019 PolarHBondContact O-N 3.36Å; K1019-E1021 PolarHBondContact O-N 2.63Å; K1019-F1033 VanDerWaalsContact NZ-CE2 3.28Å | ||
| 1020 | P | 51.4 | Low | 57.2 | Low | 95 Ų | 95 | 79.8 Ų | 79.8 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -57.7 | -34.6 | 171 | -25.9 | 36.2 | 0 | 0 | 0 | 112.9 | R964 | R964-P1020 PolarHBondContact NH1-O 3.06Š|
| 1021 | E | 47.9 | Very low | 55 | Low | 157 Ų | 157 | 83.9 Ų | 83.9 | 73% | 0.734 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -135.3 | 153.8 | -167.8 | -64.6 | 176.6 | 165.1 | 0 | 0 | 113.7 | K1019 | K1019-E1021 PolarHBondContact O-N 2.63Š|
| 1022 | Q | 38.7 | Very low | 53.1 | Low | 197 Ų | 197 | 87.2 Ų | 87.2 | 92% | 0.921 | 48% | 0.477 | S | S | * | . | trans | 71.4 | 162.4 | 172.9 | -59.3 | -167.6 | -9.2 | 0 | 0 | 118.4 | ||||
| 1023 | K | 37.1 | Very low | 51.5 | Low | 193 Ų | 193 | 88 Ų | 88 | 84% | 0.839 | 48% | 0.478 | S | S | * | . | trans | -102.9 | 146.5 | -159.4 | -63.6 | 174.8 | 178.1 | 175.3 | 0 | 113 | ||||
| 1024 | S | 33.6 | Very low | 50.1 | Low | 114 Ų | 114 | 87.6 Ų | 87.6 | 80% | 0.797 | 47% | 0.474 | S | S | * | . | trans | 36.9 | 90.7 | 152.8 | 59.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1025 | L | 36.2 | Very low | 48.5 | Very low | 93 Ų | 93 | 89.7 Ų | 89.7 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | trans | -78.4 | 129.3 | 163 | -77.1 | 158.1 | 0 | 0 | 0 | 110.3 | L1029 | L1025-L1029 HydrophobicContact CD2-CB 3.91Å; L1025-L1029 HydrophobicContact CD2-CD1 3.96Å | ||
| 1026 | T | 39.9 | Very low | 46.7 | Very low | 83 Ų | 83 | 96 Ų | 96 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | trans | -78.7 | 156.1 | 171.1 | 51.4 | 0 | 0 | 0 | 0 | 111 | S1028 L1029 | T1026-S1028 PolarHBondContact O-N 3.38Å; T1026-S1028 VanDerWaalsContact O-N 3.11Å; T1026-S1028 PolarHBondContact OG1-OG 3.06Å; T1026-L1029 PolarHBondContact O-N 2.78Å | ||
| 1027 | S | 39.5 | Very low | 45.5 | Very low | 112 Ų | 112 | 98.8 Ų | 98.8 | 78% | 0.783 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.6 | -175.3 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | L1029 F1030 | S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 2.92Å; S1027-F1030 VanDerWaalsContact O-CB 3.28Å; S1027-F1030 WeakPolarHBondContact O-CB 3.29Å; S1027-F1030 PolarHBondContact O-N 3.17Å |
| 1028 | S | 43.5 | Very low | 44.1 | Very low | 85 Ų | 85 | 96.1 Ų | 96.1 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -27.2 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114.1 | T1026 F1030 T1031 | T1026-S1028 PolarHBondContact O-N 3.38Å; T1026-S1028 VanDerWaalsContact O-N 3.11Å; T1026-S1028 PolarHBondContact OG1-OG 3.06Å; S1028-F1030 VanDerWaalsContact C-N 3.32Å; S1028-T1031 PolarHBondContact O-OG1 3.39Å |
| 1029 | L | 44.1 | Very low | 43.1 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 45% | 0.45 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -83.9 | -9.2 | 176.7 | -73.2 | 165.6 | 0 | 0 | 0 | 112.6 | L1025 T1026 S1027 F1033 | L1025-L1029 HydrophobicContact CD2-CB 3.91Å; L1025-L1029 HydrophobicContact CD2-CD1 3.96Å; T1026-L1029 PolarHBondContact O-N 2.78Å; S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 2.92Å; L1029-F1033 WeakPolarHBondContact O-CB 2.99Å; L1029-F1033 PolarHBondContact O-N 3.32Å |
| 1030 | F | 40.1 | Very low | 42.3 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 33% | 0.325 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72 | -41.1 | -175.3 | -168.9 | -97.9 | 0 | 0 | 0 | 112.6 | S1013 S1027 S1028 F1033 N1034 | S1013-F1030 VanDerWaalsContact CB-CZ 3.42Å; S1027-F1030 VanDerWaalsContact O-CB 3.28Å; S1027-F1030 WeakPolarHBondContact O-CB 3.29Å; S1027-F1030 PolarHBondContact O-N 3.17Å; S1028-F1030 VanDerWaalsContact C-N 3.32Å; F1030-F1033 PolarHBondContact O-N 2.97Å; F1030-N1034 PolarHBondContact O-N 3.19Å |
| 1031 | T | 41.9 | Very low | 41.6 | Very low | 86 Ų | 86 | 103 Ų | 103 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.4 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | S1028 F1033 N1034 K1035 | S1028-T1031 PolarHBondContact O-OG1 3.39Å; T1031-F1033 VanDerWaalsContact C-N 3.33Å; T1031-N1034 PolarHBondContact O-N 2.9Å; T1031-K1035 WeakPolarHBondContact O-CG 3.19Å; T1031-K1035 PolarHBondContact O-N 3.25Å |
| 1032 | D | 44.5 | Very low | 41.2 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.5 | -26.5 | 174.8 | -83.5 | -5.1 | 0 | 0 | 0 | 113 | K1035 K1036 | D1032-K1035 IonicContact OD1-NZ 2.72Å; D1032-K1035 PolarHBondContact OD1-NZ 2.82Å; D1032-K1036 WeakPolarHBondContact O-CG 3.03Å; D1032-K1036 PolarHBondContact O-N 3.01Å; D1032-K1036 VanDerWaalsContact O-N 3.09Å |
| 1033 | F | 45.7 | Very low | 40.9 | Very low | 57 Ų | 57 | 102.9 Ų | 102.9 | 25% | 0.25 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 170.8 | -162.6 | -102 | 0 | 0 | 0 | 111.4 | A1016 K1019 L1029 F1030 T1031 K1036 I1037 | A1016-F1033 HydrophobicContact CB-CD1 4.35Å; A1016-F1033 HydrophobicContact CB-CE1 3.82Å; K1019-F1033 VanDerWaalsContact NZ-CE2 3.28Å; L1029-F1033 WeakPolarHBondContact O-CB 2.99Å; L1029-F1033 PolarHBondContact O-N 3.32Å; F1030-F1033 PolarHBondContact O-N 2.97Å; T1031-F1033 VanDerWaalsContact C-N 3.33Å; F1033-K1036 PolarHBondContact O-N 2.65Å; F1033-I1037 HydrophobicContact CD1-CD1 4.06Å; F1033-I1037 HydrophobicContact CE1-CD1 3.88Å; F1033-I1037 HydrophobicContact CE1-CG1 4.4Å; F1033-I1037 PolarHBondContact O-N 2.94Å; F1033-I1037 VanDerWaalsContact O-N 3.16Å |
| 1034 | N | 44.4 | Very low | 40.6 | Very low | 27 Ų | 27 | 97.3 Ų | 97.3 | 14% | 0.144 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.3 | -77.2 | 5.4 | 0 | 0 | 0 | 111.7 | L732 F1030 T1031 K1036 I1037 V1038 | L732-N1034 PolarHBondContact O-ND2 3.14Å; F1030-N1034 PolarHBondContact O-N 3.19Å; T1031-N1034 PolarHBondContact O-N 2.9Å; N1034-K1036 VanDerWaalsContact C-N 3.27Å; N1034-K1036 PolarHBondContact O-N 2.71Å; N1034-I1037 WeakPolarHBondContact O-CB 3.39Å; N1034-I1037 PolarHBondContact O-N 2.63Å; N1034-V1038 PolarHBondContact O-N 3.05Å; N1034-V1038 VanDerWaalsContact O-N 3.11Å |
| 1035 | K | 44.7 | Very low | 40.4 | Very low | 138 Ų | 138 | 96.8 Ų | 96.8 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.8 | -40.9 | 172.6 | -75.4 | 175.9 | -177.5 | 168.6 | 0 | 112.7 | T1031 D1032 I1037 V1038 S1039 | T1031-K1035 WeakPolarHBondContact O-CG 3.19Å; T1031-K1035 PolarHBondContact O-N 3.25Å; D1032-K1035 IonicContact OD1-NZ 2.72Å; D1032-K1035 PolarHBondContact OD1-NZ 2.82Å; K1035-I1037 VanDerWaalsContact C-N 3.3Å; K1035-I1037 PolarHBondContact O-N 2.97Å; K1035-V1038 PolarHBondContact O-N 2.87Å; K1035-S1039 WeakPolarHBondContact O-CB 3.02Å; K1035-S1039 PolarHBondContact O-N 2.85Å; K1035-S1039 PolarHBondContact O-OG 3.31Å |
| 1036 | K | 47.1 | Very low | 40.1 | Very low | 147 Ų | 147 | 100.1 Ų | 100.1 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70 | -21.7 | 177.7 | -81.6 | 177.4 | 176.4 | 171.1 | 0 | 114.4 | D1032 F1033 N1034 | D1032-K1036 WeakPolarHBondContact O-CG 3.03Å; D1032-K1036 PolarHBondContact O-N 3.01Å; D1032-K1036 VanDerWaalsContact O-N 3.09Å; F1033-K1036 PolarHBondContact O-N 2.65Å; N1034-K1036 VanDerWaalsContact C-N 3.27Å; N1034-K1036 PolarHBondContact O-N 2.71Å |
| 1037 | I | 47.9 | Very low | 39.5 | Very low | 70 Ų | 70 | 100 Ų | 100 | 36% | 0.359 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.8 | -50.1 | 169.8 | -65.9 | 171.2 | 0 | 0 | 0 | 109.2 | F1033 N1034 K1035 S1039 R1040 | F1033-I1037 HydrophobicContact CD1-CD1 4.06Å; F1033-I1037 HydrophobicContact CE1-CD1 3.88Å; F1033-I1037 HydrophobicContact CE1-CG1 4.4Å; F1033-I1037 PolarHBondContact O-N 2.94Å; F1033-I1037 VanDerWaalsContact O-N 3.16Å; N1034-I1037 WeakPolarHBondContact O-CB 3.39Å; N1034-I1037 PolarHBondContact O-N 2.63Å; K1035-I1037 VanDerWaalsContact C-N 3.3Å; K1035-I1037 PolarHBondContact O-N 2.97Å; I1037-S1039 PolarHBondContact O-N 2.75Å; I1037-R1040 PolarHBondContact O-N 3.04Å |
| 1038 | V | 40.5 | Very low | 39.2 | Very low | 24 Ų | 24 | 101.6 Ų | 101.6 | 15% | 0.145 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -58.9 | -48.8 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | P728 L732 N1034 K1035 R1040 S1041 | P728-V1038 HydrophobicContact CB-CG1 4.27Å; P728-V1038 HydrophobicContact CB-CG2 3.91Å; P728-V1038 HydrophobicContact CG-CG1 4.25Å; L732-V1038 HydrophobicContact CD1-CG2 3.54Å; N1034-V1038 PolarHBondContact O-N 3.05Å; N1034-V1038 VanDerWaalsContact O-N 3.11Å; K1035-V1038 PolarHBondContact O-N 2.87Å; V1038-R1040 PolarHBondContact O-N 3.35Å; V1038-S1041 PolarHBondContact O-N 2.77Å; V1038-S1041 VanDerWaalsContact O-N 3.11Å; V1038-S1041 PolarHBondContact O-OG 3.4Å |
| 1039 | S | 39.9 | Very low | 38.7 | Very low | 56 Ų | 56 | 103 Ų | 103 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -1.4 | -179.2 | 74.4 | 0 | 0 | 0 | 0 | 114.9 | K1035 I1037 | K1035-S1039 WeakPolarHBondContact O-CB 3.02Å; K1035-S1039 PolarHBondContact O-N 2.85Å; K1035-S1039 PolarHBondContact O-OG 3.31Å; I1037-S1039 PolarHBondContact O-N 2.75Å |
| 1040 | R | 40.5 | Very low | 38.6 | Very low | 201 Ų | 201 | 105.1 Ų | 105.1 | 76% | 0.758 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -105.3 | -19.9 | 176.3 | -87.5 | -176.7 | 163.5 | -173.2 | -6.1 | 113.8 | I1037 V1038 | I1037-R1040 PolarHBondContact O-N 3.04Å; V1038-R1040 PolarHBondContact O-N 3.35Å |
| 1041 | S | 36.5 | Very low | 39.2 | Very low | 84 Ų | 84 | 105.2 Ų | 105.2 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.9 | -24.8 | 169.9 | 38.7 | 0 | 0 | 0 | 0 | 112.9 | V1038 R1043 | V1038-S1041 PolarHBondContact O-N 2.77Å; V1038-S1041 VanDerWaalsContact O-N 3.11Å; V1038-S1041 PolarHBondContact O-OG 3.4Å; S1041-R1043 VanDerWaalsContact C-N 3.32Å; S1041-R1043 PolarHBondContact O-N 3.17Å |
| 1042 | E | 38.6 | Very low | 40.2 | Very low | 138 Ų | 138 | 104.9 Ų | 104.9 | 65% | 0.645 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -76.1 | -9.9 | -174.7 | -65 | 165.1 | 170.5 | 0 | 0 | 114.5 | ||
| 1043 | R | 32.6 | Very low | 41.5 | Very low | 214 Ų | 214 | 106 Ų | 106 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | trans | -105.8 | 72.7 | -175.2 | -66.3 | -167.2 | -174.4 | -170.6 | 1.4 | 113.4 | S1041 S1045 | S1041-R1043 VanDerWaalsContact C-N 3.32Å; S1041-R1043 PolarHBondContact O-N 3.17Å; R1043-S1045 VanDerWaalsContact C-N 3.3Å; R1043-S1045 PolarHBondContact O-N 3.18Å | ||
| 1044 | G | 30.6 | Very low | 43.3 | Very low | 76 Ų | 76 | 103.3 Ų | 103.3 | 78% | 0.784 | 57% | 0.569 | S | S | * | * | trans | -74.8 | 59.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1045 | S | 29.2 | Very low | 45.3 | Very low | 102 Ų | 102 | 102 Ų | 102 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -163.5 | 142.3 | 160.9 | -90.6 | 0 | 0 | 0 | 0 | 114.5 | R1043 | R1043-S1045 VanDerWaalsContact C-N 3.3Å; R1043-S1045 PolarHBondContact O-N 3.18Å |
| 1046 | N | 29.9 | Very low | 47.4 | Very low | 164 Ų | 164 | 96 Ų | 96 | 88% | 0.877 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 65.5 | 135.2 | 171.6 | -60.6 | -14.7 | 0 | 0 | 0 | 116.4 | ||
| 1047 | G | 28.4 | Very low | 49.4 | Very low | 80 Ų | 80 | 91.7 Ų | 91.7 | 83% | 0.825 | 52% | 0.52 | S | S | * | . | trans | -72.9 | 144.8 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1048 | D | 32.1 | Very low | 51.2 | Low | 145 Ų | 145 | 88.7 Ų | 88.7 | 78% | 0.775 | 51% | 0.505 | S | S | * | . | -151.7 | 140.5 | 123.9 | -137.1 | -15.4 | 0 | 0 | 0 | 111.4 | N1050 | D1048-N1050 PolarHBondContact O-N 2.81Å; D1048-N1050 VanDerWaalsContact O-N 3.13Å | |||
| 1049 | S | 32.8 | Very low | 53.3 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | trans | -91 | 68.9 | -166.7 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1050 | N | 42.5 | Very low | 55.3 | Low | 132 Ų | 132 | 98.1 Ų | 98.1 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | trans | -109.4 | 83.5 | 173.9 | -86.5 | -72.1 | 0 | 0 | 0 | 112.4 | D1048 T1052 | D1048-N1050 PolarHBondContact O-N 2.81Å; D1048-N1050 VanDerWaalsContact O-N 3.13Å; N1050-T1052 PolarHBondContact O-N 2.79Å | ||
| 1051 | T | 52 | Low | 57.3 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | trans | -62.8 | 130.1 | 171.7 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | K1053 | T1051-K1053 PolarHBondContact O-N 2.8Å; T1051-K1053 VanDerWaalsContact O-N 3.12Å | ||
| 1052 | T | 64.4 | Low | 59.5 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | trans | -66.4 | 113.3 | 178.9 | 39.4 | 0 | 0 | 0 | 0 | 109.7 | S968 S969 W1015 N1050 | S968-T1052 WeakPolarHBondContact CA-O 3.35Å; S968-T1052 WeakPolarHBondContact CB-O 3.25Å; S969-T1052 PolarHBondContact N-O 3.17Å; S969-T1052 VanDerWaalsContact N-O 3.14Å; W1015-T1052 VanDerWaalsContact CH2-O 3.23Å; W1015-T1052 WeakPolarHBondContact CH2-O 3.41Å; W1015-T1052 VanDerWaalsContact CZ2-O 3.26Å; W1015-T1052 WeakPolarHBondContact CZ2-O 3.46Å; N1050-T1052 PolarHBondContact O-N 2.79Å | ||
| 1053 | K | 70.9 | Confident | 61.4 | Low | 103 Ų | 103 | 85 Ų | 85 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138.5 | 173.3 | -69.1 | -173.8 | 178.2 | -172.8 | 0 | 110.8 | W967 T1051 | W967-K1053 WeakPolarHBondContact O-CA 3.39Å; T1051-K1053 PolarHBondContact O-N 2.8Å; T1051-K1053 VanDerWaalsContact O-N 3.12Å |
| 1054 | G | 84.5 | Confident | 63.8 | Low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | -166.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T966 W967 W1015 V1018 | T966-G1054 CarbonylContact C-O 3.55Å; T966-G1054 WeakPolarHBondContact CA-O 3.29Å; T966-G1054 VanDerWaalsContact CB-O 3.27Å; T966-G1054 WeakPolarHBondContact CB-O 3.23Å; W967-G1054 PolarHBondContact N-O 3.44Å; W967-G1054 PolarHBondContact O-N 3.17Å; W1015-G1054 VanDerWaalsContact CD1-C 3.46Å; W1015-G1054 VanDerWaalsContact NE1-C 3.33Å; W1015-G1054 CarbonylContact O-C 3.52Å; W1015-G1054 WeakPolarHBondContact O-CA 3.44Å; V1018-G1054 CarbonylContact O-C 3.6Å |
| 1055 | G | 86.4 | Confident | 66.5 | Low | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -163.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117 | I965 W1015 V1018 | I965-G1055 CarbonylContact O-C 3.52Å; I965-G1055 WeakPolarHBondContact O-CA 3.23Å; W1015-G1055 WeakPolarHBondContact CA-O 3.41Å; W1015-G1055 VanDerWaalsContact CD1-N 3.27Å; W1015-G1055 PolarHBondContact O-N 3.42Å; V1018-G1055 WeakPolarHBondContact CB-O 3.38Å; V1018-G1055 WeakPolarHBondContact CG2-O 3.21Å |
| 1056 | I | 89.2 | Confident | 69.3 | Low | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.5 | 172.1 | -171.5 | 163.7 | 0 | 0 | 0 | 110.8 | R964 I965 W967 L982 V1010 | R964-I1056 WeakPolarHBondContact CA-O 3.45Å; I965-I1056 HydrophobicContact CB-CG2 4.42Å; I965-I1056 PolarHBondContact N-O 3.32Å; I965-I1056 PolarHBondContact O-N 2.92Å; W967-I1056 HydrophobicContact CH2-CB 4.44Å; W967-I1056 HydrophobicContact CH2-CG2 4.11Å; W967-I1056 HydrophobicContact CZ3-CG2 4.02Å; L982-I1056 HydrophobicContact CD2-CG2 3.76Å; V1010-I1056 HydrophobicContact CG1-CB 4.21Å; V1010-I1056 HydrophobicContact CG1-CD1 4.25Å; V1010-I1056 HydrophobicContact CG2-CB 4.35Å; V1010-I1056 HydrophobicContact CG2-CD1 3.65Å; V1010-I1056 HydrophobicContact CG2-CG2 4.44Å |
| 1057 | L | 87.7 | Confident | 72.3 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.6 | 170.8 | 174 | 62 | 0 | 0 | 0 | 109.2 | N958 R964 K1059 | N958-L1057 HydrophobicContact CB-CD1 3.64Å; R964-L1057 HydrophobicContact CB-CD1 4.33Å; L1057-K1059 HydrophobicContact CG-CG 4.28Å |
| 1058 | I | 85.9 | Confident | 75.4 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 143.6 | 169 | -33.4 | 176.1 | 0 | 0 | 0 | 108.3 | S962 I963 I965 L982 Y984 L1061 | S962-I1058 CarbonylContact C-O 3.36Å; S962-I1058 VanDerWaalsContact CA-O 3.24Å; S962-I1058 WeakPolarHBondContact CA-O 3.19Å; S962-I1058 VanDerWaalsContact CB-O 3.3Å; S962-I1058 WeakPolarHBondContact CB-O 3.38Å; I963-I1058 HydrophobicContact CG2-CB 3.85Å; I963-I1058 HydrophobicContact CG2-CD1 3.78Å; I963-I1058 HydrophobicContact CG2-CG1 3.91Å; I963-I1058 PolarHBondContact N-O 3.49Å; I963-I1058 PolarHBondContact O-N 2.91Å; I965-I1058 HydrophobicContact CD1-CD1 3.9Å; L982-I1058 HydrophobicContact CD2-CD1 3.81Å; L982-I1058 HydrophobicContact CD2-CG1 4.24Å; Y984-I1058 HydrophobicContact CD1-CD1 4.13Å; Y984-I1058 HydrophobicContact CE1-CD1 4.19Å; Y984-I1058 HydrophobicContact CG-CD1 4.39Å; I1058-L1061 HydrophobicContact CB-CD1 4.28Å; I1058-L1061 HydrophobicContact CG2-CD1 4.13Å; I1058-L1061 HydrophobicContact CG2-CD2 4.01Å; I1058-L1061 HydrophobicContact CG2-CG 4.09Å |
| 1059 | K | 85.2 | Confident | 78.3 | Confident | 126 Ų | 126 | 54.2 Ų | 54.2 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | trans | -127.8 | 174.1 | 176.9 | -58.9 | -176.4 | -176.7 | 178.1 | 0 | 110.3 | G961 L1057 L1061 | G961-K1059 CarbonylContact O-C 3.58Å; G961-K1059 VanDerWaalsContact O-C 3.25Å; L1057-K1059 HydrophobicContact CG-CG 4.28Å; K1059-L1061 PolarHBondContact O-N 2.91Å; K1059-L1061 VanDerWaalsContact O-N 3.14Å | ||
| 1060 | D | 81.9 | Confident | 81.2 | Confident | 152 Ų | 152 | 48.8 Ų | 48.8 | 81% | 0.813 | 27% | 0.272 | S | S | * | . | trans | 58.4 | 29.2 | 167.6 | -43.8 | -47 | 0 | 0 | 0 | 114 | G961 | G961-D1060 PolarHBondContact O-N 3.48Š| ||
| 1061 | L | 82.9 | Confident | 83.5 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -80 | 131.5 | 173.8 | -62.6 | 177.3 | 0 | 0 | 0 | 110.8 | G961 I963 Y984 I1058 K1059 Y1066 F1087 I1089 | G961-L1061 WeakPolarHBondContact CA-O 3.24Å; G961-L1061 WeakPolarHBondContact O-CB 3.44Å; G961-L1061 PolarHBondContact O-N 3.41Å; I963-L1061 HydrophobicContact CG2-CD1 3.73Å; Y984-L1061 HydrophobicContact CD2-CD2 4.31Å; Y984-L1061 HydrophobicContact CE2-CD2 3.57Å; I1058-L1061 HydrophobicContact CB-CD1 4.28Å; I1058-L1061 HydrophobicContact CG2-CD1 4.13Å; I1058-L1061 HydrophobicContact CG2-CD2 4.01Å; I1058-L1061 HydrophobicContact CG2-CG 4.09Å; K1059-L1061 PolarHBondContact O-N 2.91Å; K1059-L1061 VanDerWaalsContact O-N 3.14Å; L1061-Y1066 HydrophobicContact CB-CE2 4.44Å; L1061-Y1066 HydrophobicContact CD2-CE1 4.29Å; L1061-F1087 HydrophobicContact CD1-CE2 3.65Å; L1061-F1087 HydrophobicContact CD1-CZ 3.75Å; L1061-I1089 HydrophobicContact CB-CD1 4.44Å; L1061-I1089 HydrophobicContact CB-CG1 4.02Å; L1061-I1089 HydrophobicContact CD1-CD1 4.15Å; L1061-I1089 HydrophobicContact CD1-CG1 4.23Å |
| 1062 | S | 81.9 | Confident | 85.4 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 57% | 0.573 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -58.6 | 148.8 | 170.3 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | Y1066 | S1062-Y1066 PolarHBondContact N-OH 2.9Å; S1062-Y1066 VanDerWaalsContact O-CE2 3.23Å; S1062-Y1066 WeakPolarHBondContact O-CE2 3.35Å; S1062-Y1066 PolarHBondContact O-OH 3Å |
| 1063 | P | 79.4 | Confident | 86.5 | Confident | 50 Ų | 50 | 35.5 Ų | 35.5 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -52.8 | 141.7 | 169.3 | -28.3 | 37.1 | 0 | 0 | 0 | 113.2 | I1089 F1091 | P1063-I1089 WeakPolarHBondContact CA-O 3.24Å; P1063-F1091 HydrophobicContact CB-CB 4.23Å; P1063-F1091 HydrophobicContact CB-CD1 3.93Å; P1063-F1091 HydrophobicContact CB-CD2 3.44Å; P1063-F1091 VanDerWaalsContact CB-CD2 3.44Å; P1063-F1091 HydrophobicContact CB-CE1 4.12Å; P1063-F1091 HydrophobicContact CB-CE2 3.66Å; P1063-F1091 HydrophobicContact CB-CG 3.59Å; P1063-F1091 HydrophobicContact CB-CZ 3.99Å; P1063-F1091 HydrophobicContact CG-CB 4.48Å; P1063-F1091 HydrophobicContact CG-CD1 3.94Å; P1063-F1091 HydrophobicContact CG-CD2 4.34Å; P1063-F1091 HydrophobicContact CG-CE1 4.22Å; P1063-F1091 HydrophobicContact CG-CG 4Å |
| 1064 | G | 82.1 | Confident | 87.3 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.1 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1066 I1089 | G1064-Y1066 WeakPolarHBondContact O-CD2 3.38Å; G1064-I1089 PolarHBondContact N-O 3.17Å; G1064-I1089 PolarHBondContact O-N 3.4Å |
| 1065 | S | 86.6 | Confident | 87.2 | Confident | 34 Ų | 34 | 31 Ų | 31 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.2 | 175.7 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | P986 R987 N1088 | P986-S1065 WeakPolarHBondContact CA-O 3.34Å; R987-S1065 PolarHBondContact N-O 3.42Å; S1065-N1088 WeakPolarHBondContact CB-OD1 3.43Å; S1065-N1088 PolarHBondContact OG-OD1 3.24Å |
| 1066 | Y | 89.4 | Confident | 87.1 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147 | -179.4 | -68.3 | -100.6 | 0 | 0 | 0 | 111.2 | Y984 R985 P986 L1061 S1062 G1064 I1086 F1087 I1089 | Y984-Y1066 HydrophobicContact CD2-CD1 4.32Å; R985-Y1066 CarbonylContact O-C 3.6Å; R985-Y1066 VanDerWaalsContact O-CA 3.29Å; R985-Y1066 WeakPolarHBondContact O-CA 3.34Å; P986-Y1066 HydrophobicContact CB-CE1 4.45Å; P986-Y1066 HydrophobicContact CG-CD1 4.26Å; P986-Y1066 HydrophobicContact CG-CE1 3.83Å; L1061-Y1066 HydrophobicContact CB-CE2 4.44Å; L1061-Y1066 HydrophobicContact CD2-CE1 4.29Å; S1062-Y1066 PolarHBondContact N-OH 2.9Å; S1062-Y1066 VanDerWaalsContact O-CE2 3.23Å; S1062-Y1066 WeakPolarHBondContact O-CE2 3.35Å; S1062-Y1066 PolarHBondContact O-OH 3Å; G1064-Y1066 WeakPolarHBondContact O-CD2 3.38Å; Y1066-I1086 VanDerWaalsContact O-CA 3.31Å; Y1066-I1086 WeakPolarHBondContact O-CA 3.5Å; Y1066-I1086 WeakPolarHBondContact O-CG2 3.36Å; Y1066-F1087 VanDerWaalsContact CB-CZ 3.42Å; Y1066-F1087 HydrophobicContact CD1-CZ 4.36Å; Y1066-F1087 HydrophobicContact CD2-CD2 4.33Å; Y1066-F1087 AromaticContact CD2-CE2 3.66Å; Y1066-F1087 HydrophobicContact CD2-CE2 3.66Å; Y1066-F1087 HydrophobicContact CD2-CZ 4.16Å; Y1066-F1087 AromaticContact CG-CE2 3.75Å; Y1066-F1087 HydrophobicContact CG-CE2 3.75Å; Y1066-F1087 AromaticContact CG-CZ 3.75Å; Y1066-F1087 HydrophobicContact CG-CZ 3.75Å; Y1066-F1087 PolarHBondContact N-O 3.14Å; Y1066-F1087 PolarHBondContact O-N 3.47Å; Y1066-I1089 HydrophobicContact CD2-CG1 4.06Å; Y1066-I1089 HydrophobicContact CE2-CB 4.32Å; Y1066-I1089 HydrophobicContact CE2-CG1 3.81Å |
| 1067 | E | 92 | Very high | 86.8 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 145.6 | 167.9 | 59.1 | 177.1 | -137.9 | 0 | 0 | 110.7 | Y984 R985 W1005 T1084 E1085 I1086 | Y984-E1067 CarbonylContact C-O 3.59Å; Y984-E1067 WeakPolarHBondContact CA-O 3.39Å; R985-E1067 HydrophobicContact CG-CG 3.8Å; R985-E1067 IonicContact CZ-OE1 2.83Å; R985-E1067 PolarHBondContact N-O 2.84Å; R985-E1067 IonicContact NE-OE1 2.68Å; R985-E1067 PolarHBondContact NE-OE1 2.98Å; R985-E1067 IonicContact NH2-OE1 3.8Å; R985-E1067 PolarHBondContact NH2-OE1 3.42Å; R985-E1067 PolarHBondContact O-N 3.22Å; W1005-E1067 HydrophobicContact CH2-CG 3.89Å; W1005-E1067 WeakPolarHBondContact CH2-OE1 3.27Å; W1005-E1067 WeakPolarHBondContact CZ2-OE1 3.46Å; W1005-E1067 HydrophobicContact CZ3-CG 4.21Å; E1067-T1084 HydrophobicContact CB-CG2 3.66Å; E1067-T1084 HydrophobicContact CG-CG2 4.38Å; E1067-E1085 CarbonylContact C-O 3.54Å; E1067-E1085 WeakPolarHBondContact CA-O 3.45Å; E1067-I1086 HydrophobicContact CB-CG1 4.44Å |
| 1068 | F | 92.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.4 | 180 | 78.8 | -85.4 | 0 | 0 | 0 | 114.1 | I953 A955 I965 L982 R983 I1070 E1085 F1087 | I953-F1068 HydrophobicContact CG2-CE2 4.03Å; I953-F1068 HydrophobicContact CG2-CZ 4.14Å; A955-F1068 HydrophobicContact CB-CE1 3.94Å; A955-F1068 HydrophobicContact CB-CZ 4.01Å; I965-F1068 HydrophobicContact CD1-CD1 4.35Å; I965-F1068 HydrophobicContact CD1-CD2 3.9Å; I965-F1068 HydrophobicContact CD1-CE1 4.38Å; I965-F1068 HydrophobicContact CD1-CE2 3.97Å; I965-F1068 HydrophobicContact CD1-CG 4.09Å; I965-F1068 HydrophobicContact CD1-CZ 4.2Å; I965-F1068 HydrophobicContact CG1-CE2 4.43Å; I965-F1068 HydrophobicContact CG1-CZ 4.38Å; I965-F1068 HydrophobicContact CG2-CD2 4.33Å; I965-F1068 HydrophobicContact CG2-CE2 3.56Å; I965-F1068 HydrophobicContact CG2-CZ 3.96Å; L982-F1068 HydrophobicContact CD1-CB 4.27Å; L982-F1068 HydrophobicContact CD1-CD2 3.72Å; L982-F1068 HydrophobicContact CD1-CG 4.4Å; R983-F1068 CarbonylContact O-C 3.58Å; R983-F1068 WeakPolarHBondContact O-CA 3.5Å; R983-F1068 WeakPolarHBondContact O-CB 3.49Å; F1068-I1070 HydrophobicContact CD2-CG1 4.23Å; F1068-I1070 HydrophobicContact CE2-CD1 4.19Å; F1068-I1070 HydrophobicContact CE2-CG1 4.18Å; F1068-E1085 HydrophobicContact CD1-CB 3.84Å; F1068-E1085 WeakPolarHBondContact CD1-O 3.32Å; F1068-E1085 HydrophobicContact CD2-CB 4.47Å; F1068-E1085 HydrophobicContact CE1-CB 3.3Å; F1068-E1085 HydrophobicContact CE1-CG 4.48Å; F1068-E1085 HydrophobicContact CE2-CB 3.99Å; F1068-E1085 HydrophobicContact CG-CB 4.42Å; F1068-E1085 HydrophobicContact CZ-CB 3.39Å; F1068-E1085 HydrophobicContact CZ-CG 4.15Å; F1068-E1085 PolarHBondContact N-O 3.5Å; F1068-E1085 PolarHBondContact O-N 3.45Å; F1068-F1087 HydrophobicContact CB-CE1 4.38Å; F1068-F1087 AromaticContact CD1-CD1 3.55Å; F1068-F1087 HydrophobicContact CD1-CD1 3.55Å; F1068-F1087 AromaticContact CD1-CE1 3.89Å; F1068-F1087 HydrophobicContact CD1-CE1 3.89Å; F1068-F1087 AromaticContact CE1-CD1 3.91Å; F1068-F1087 HydrophobicContact CE1-CD1 3.91Å; F1068-F1087 HydrophobicContact CG-CD1 4.49Å; F1068-F1087 HydrophobicContact CG-CE1 4.42Å |
| 1069 | Q | 94.4 | Very high | 86.5 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.6 | 175.5 | -65.9 | 178.6 | -80.3 | 0 | 0 | 111 | R983 W1005 W1081 S1082 T1084 | R983-Q1069 HydrophobicContact CG-CB 4.04Å; R983-Q1069 VanDerWaalsContact CZ-OE1 3.27Å; R983-Q1069 PolarHBondContact N-O 2.7Å; R983-Q1069 PolarHBondContact O-N 3.1Å; W1005-Q1069 HydrophobicContact CH2-CG 4.5Å; Q1069-W1081 HydrophobicContact CB-CB 4.49Å; Q1069-W1081 HydrophobicContact CB-CE3 3.83Å; Q1069-S1082 WeakPolarHBondContact CA-OG 3.44Å; Q1069-S1082 PolarHBondContact NE2-O 2.71Å; Q1069-T1084 HydrophobicContact CG-CG2 4.45Å |
| 1070 | I | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.9 | -178.1 | -37.5 | -178.3 | 0 | 0 | 0 | 109.9 | I948 I953 I965 W967 I981 L982 F1068 W1081 S1082 | I948-I1070 HydrophobicContact CD1-CB 3.82Å; I948-I1070 HydrophobicContact CD1-CG2 3.53Å; I953-I1070 HydrophobicContact CD1-CD1 4.45Å; I953-I1070 HydrophobicContact CG1-CD1 4.48Å; I953-I1070 HydrophobicContact CG2-CD1 4.03Å; I965-I1070 HydrophobicContact CG2-CD1 3.97Å; W967-I1070 HydrophobicContact CB-CD1 4.19Å; W967-I1070 HydrophobicContact CD2-CD1 3.73Å; W967-I1070 HydrophobicContact CD2-CG2 4.18Å; W967-I1070 HydrophobicContact CE3-CD1 3.5Å; W967-I1070 HydrophobicContact CG-CD1 4.06Å; W967-I1070 HydrophobicContact CH2-CG2 4.47Å; W967-I1070 HydrophobicContact CZ2-CG2 4.07Å; W967-I1070 HydrophobicContact CZ3-CD1 4.08Å; I981-I1070 CarbonylContact O-C 3.59Å; I981-I1070 WeakPolarHBondContact O-CA 3.39Å; L982-I1070 HydrophobicContact CD1-CG1 4.04Å; F1068-I1070 HydrophobicContact CD2-CG1 4.23Å; F1068-I1070 HydrophobicContact CE2-CD1 4.19Å; F1068-I1070 HydrophobicContact CE2-CG1 4.18Å; I1070-W1081 CarbonylContact O-C 3.56Å; I1070-S1082 PolarHBondContact N-OG 3.06Å; I1070-S1082 PolarHBondContact O-N 2.88Å |
| 1071 | L | 91.6 | Very high | 87 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.2 | 178.3 | 163.7 | 64.5 | 0 | 0 | 0 | 109.1 | Y980 I981 R1078 G1079 E1080 W1081 | Y980-L1071 CarbonylContact C-O 3.44Å; Y980-L1071 VanDerWaalsContact CA-O 3.22Å; Y980-L1071 WeakPolarHBondContact CA-O 3.46Å; Y980-L1071 WeakPolarHBondContact CB-O 3.37Å; I981-L1071 HydrophobicContact CB-CB 4.39Å; I981-L1071 HydrophobicContact CB-CD2 4.5Å; I981-L1071 HydrophobicContact CD1-CD2 4.34Å; I981-L1071 PolarHBondContact N-O 3.14Å; I981-L1071 PolarHBondContact O-N 2.69Å; L1071-R1078 HydrophobicContact CD1-CB 4.34Å; L1071-R1078 HydrophobicContact CD2-CB 4.43Å; L1071-R1078 HydrophobicContact CD2-CG 4.4Å; L1071-G1079 VanDerWaalsContact CD1-C 3.41Å; L1071-G1079 WeakPolarHBondContact CD1-O 3.08Å; L1071-E1080 WeakPolarHBondContact CD1-O 3.04Å; L1071-W1081 HydrophobicContact CB-CD2 3.77Å; L1071-W1081 HydrophobicContact CB-CE3 3.55Å; L1071-W1081 HydrophobicContact CB-CG 4.43Å; L1071-W1081 HydrophobicContact CB-CH2 4.05Å; L1071-W1081 HydrophobicContact CB-CZ2 4.24Å; L1071-W1081 HydrophobicContact CB-CZ3 3.68Å; L1071-W1081 HydrophobicContact CD2-CD2 4.37Å; L1071-W1081 HydrophobicContact CD2-CH2 4.24Å; L1071-W1081 HydrophobicContact CD2-CZ2 3.8Å |
| 1072 | A | 91.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 149.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | D946 I948 P970 I977 Y980 G1079 | D946-A1072 WeakPolarHBondContact O-CB 3.29Å; I948-A1072 HydrophobicContact CD1-CB 4.26Å; I948-A1072 HydrophobicContact CG1-CB 4.01Å; P970-A1072 HydrophobicContact CG-CB 4.38Å; I977-A1072 HydrophobicContact CD1-CB 4.23Å; Y980-A1072 HydrophobicContact CD1-CB 3.75Å; Y980-A1072 HydrophobicContact CE1-CB 3.8Å; A1072-G1079 PolarHBondContact O-N 3.41Å |
| 1073 | I | 87.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.4 | 171.9 | -64.2 | -160.8 | 0 | 0 | 0 | 109.3 | I744 I978 H979 I981 G1077 R1078 | I744-I1073 HydrophobicContact CG2-CD1 4.22Å; I744-I1073 HydrophobicContact CG2-CG2 3.67Å; I978-I1073 HydrophobicContact CB-CG2 4.5Å; I978-I1073 HydrophobicContact CD1-CG2 4.38Å; I978-I1073 PolarHBondContact N-O 3.27Å; H979-I1073 PolarHBondContact O-N 3.1Å; I981-I1073 HydrophobicContact CD1-CD1 3.76Å; I981-I1073 HydrophobicContact CG1-CD1 4.25Å; I1073-G1077 CarbonylContact C-O 2.99Å; I1073-G1077 VanDerWaalsContact CA-O 3.23Å; I1073-G1077 WeakPolarHBondContact CA-O 3.4Å; I1073-G1077 WeakPolarHBondContact CG2-O 3.42Å; I1073-R1078 HydrophobicContact CD1-CG 3.71Å; I1073-R1078 HydrophobicContact CG1-CG 4.05Å |
| 1074 | S | 87.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -179.6 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | D946 L976 I978 A1076 G1077 | D946-S1074 WeakPolarHBondContact OD1-CB 3.45Å; D946-S1074 PolarHBondContact OD1-OG 2.94Å; D946-S1074 VanDerWaalsContact OD2-CB 3.28Å; D946-S1074 WeakPolarHBondContact OD2-CB 3.37Å; D946-S1074 PolarHBondContact OD2-OG 2.56Å; L976-S1074 CarbonylContact O-C 3.49Å; L976-S1074 WeakPolarHBondContact O-CA 3.33Å; I978-S1074 WeakPolarHBondContact CD1-O 3.39Å; S1074-A1076 PolarHBondContact O-N 3.35Å; S1074-A1076 VanDerWaalsContact O-N 3.17Å; S1074-A1076 PolarHBondContact OG-N 3.03Å; S1074-A1076 VanDerWaalsContact OG-N 3.07Å; S1074-G1077 PolarHBondContact N-O 2.79Å; S1074-G1077 PolarHBondContact O-N 2.79Å |
| 1075 | L | 82.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14 | 169.5 | -64.4 | 179.4 | 0 | 0 | 0 | 113.2 | D726 Y731 W743 F871 N974 L976 I978 | D726-L1075 HydrophobicContact CB-CD1 4.4Å; Y731-L1075 HydrophobicContact CD1-CD2 3.78Å; Y731-L1075 HydrophobicContact CE1-CD2 3.64Å; Y731-L1075 HydrophobicContact CE2-CD1 4.23Å; Y731-L1075 HydrophobicContact CE2-CD2 4.47Å; Y731-L1075 HydrophobicContact CG-CD2 4.25Å; W743-L1075 HydrophobicContact CH2-CD2 3.94Å; W743-L1075 VanDerWaalsContact CZ3-O 3.25Å; W743-L1075 WeakPolarHBondContact CZ3-O 3.44Å; F871-L1075 HydrophobicContact CD1-CB 4.44Å; F871-L1075 HydrophobicContact CE1-CB 3.55Å; F871-L1075 VanDerWaalsContact CZ-C 3.43Å; F871-L1075 HydrophobicContact CZ-CB 4.12Å; F871-L1075 WeakPolarHBondContact CZ-O 3.38Å; N974-L1075 PolarHBondContact O-N 3.16Å; L976-L1075 HydrophobicContact CB-CD1 3.93Å; L976-L1075 HydrophobicContact CB-CG 4.03Å; L976-L1075 PolarHBondContact O-N 2.96Å; I978-L1075 HydrophobicContact CD1-CD2 3.98Å; I978-L1075 HydrophobicContact CG1-CD2 4.22Å |
| 1076 | A | 83.2 | Confident | 88.7 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W748 F871 P941 N974 S1074 | W748-A1076 VanDerWaalsContact CD1-O 3.23Å; W748-A1076 HydrophobicContact CG-CB 4.39Å; W748-A1076 PolarHBondContact N-O 3.49Å; W748-A1076 VanDerWaalsContact N-O 3.13Å; F871-A1076 HydrophobicContact CD2-CB 3.94Å; F871-A1076 HydrophobicContact CE2-CB 3.53Å; F871-A1076 HydrophobicContact CZ-CB 4.01Å; P941-A1076 HydrophobicContact CB-CB 3.79Å; P941-A1076 HydrophobicContact CG-CB 4.23Å; N974-A1076 HydrophobicContact CB-CB 3.54Å; S1074-A1076 PolarHBondContact O-N 3.35Å; S1074-A1076 VanDerWaalsContact O-N 3.17Å; S1074-A1076 PolarHBondContact OG-N 3.03Å; S1074-A1076 VanDerWaalsContact OG-N 3.07Å |
| 1077 | G | 82.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.6 | -135.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1073 S1074 | I1073-G1077 CarbonylContact C-O 2.99Å; I1073-G1077 VanDerWaalsContact CA-O 3.23Å; I1073-G1077 WeakPolarHBondContact CA-O 3.4Å; I1073-G1077 WeakPolarHBondContact CG2-O 3.42Å; S1074-G1077 PolarHBondContact N-O 2.79Å; S1074-G1077 PolarHBondContact O-N 2.79Å |
| 1078 | R | 84.5 | Confident | 88.2 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 53% | 0.525 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.1 | -170.8 | -62.9 | 172.5 | -173.3 | 177.9 | 2.4 | 111.2 | L1071 I1073 | L1071-R1078 HydrophobicContact CD1-CB 4.34Å; L1071-R1078 HydrophobicContact CD2-CB 4.43Å; L1071-R1078 HydrophobicContact CD2-CG 4.4Å; I1073-R1078 HydrophobicContact CD1-CG 3.71Å; I1073-R1078 HydrophobicContact CG1-CG 4.05Å |
| 1079 | G | 82.7 | Confident | 87.7 | Confident | 18 Ų | 18 | 39 Ų | 39 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -158 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1071 A1072 | L1071-G1079 VanDerWaalsContact CD1-C 3.41Å; L1071-G1079 WeakPolarHBondContact CD1-O 3.08Å; A1072-G1079 PolarHBondContact O-N 3.41Å |
| 1080 | E | 87.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 161.7 | 172.6 | -61.2 | -166.7 | 114.3 | 0 | 0 | 113.4 | N947 L1071 | N947-E1080 PolarHBondContact ND2-OE2 3.05Å; N947-E1080 WeakPolarHBondContact OD1-CB 3.29Å; N947-E1080 PolarHBondContact OD1-N 3.21Å; L1071-E1080 WeakPolarHBondContact CD1-O 3.04Å |
| 1081 | W | 90 | Very high | 85.1 | Confident | 82 Ų | 82 | 50.4 Ų | 50.4 | 31% | 0.311 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140.1 | 167.8 | -69.2 | 94.8 | 0 | 0 | 0 | 110.2 | I981 R983 Q1069 I1070 L1071 | I981-W1081 HydrophobicContact CB-CH2 4.21Å; I981-W1081 HydrophobicContact CG2-CH2 3.75Å; I981-W1081 HydrophobicContact CG2-CZ3 4.42Å; R983-W1081 HydrophobicContact CB-CH2 3.93Å; R983-W1081 HydrophobicContact CB-CZ3 3.93Å; R983-W1081 HydrophobicContact CG-CE3 3.95Å; R983-W1081 HydrophobicContact CG-CH2 3.8Å; R983-W1081 HydrophobicContact CG-CZ2 4.5Å; R983-W1081 HydrophobicContact CG-CZ3 3.5Å; R983-W1081 VanDerWaalsContact NH1-CE2 3.33Å; Q1069-W1081 HydrophobicContact CB-CB 4.49Å; Q1069-W1081 HydrophobicContact CB-CE3 3.83Å; I1070-W1081 CarbonylContact O-C 3.56Å; L1071-W1081 HydrophobicContact CB-CD2 3.77Å; L1071-W1081 HydrophobicContact CB-CE3 3.55Å; L1071-W1081 HydrophobicContact CB-CG 4.43Å; L1071-W1081 HydrophobicContact CB-CH2 4.05Å; L1071-W1081 HydrophobicContact CB-CZ2 4.24Å; L1071-W1081 HydrophobicContact CB-CZ3 3.68Å; L1071-W1081 HydrophobicContact CD2-CD2 4.37Å; L1071-W1081 HydrophobicContact CD2-CH2 4.24Å; L1071-W1081 HydrophobicContact CD2-CZ2 3.8Å |
| 1082 | S | 91.6 | Very high | 83.4 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 161.9 | 169.1 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | Q1069 I1070 | Q1069-S1082 WeakPolarHBondContact CA-OG 3.44Å; Q1069-S1082 PolarHBondContact NE2-O 2.71Å; I1070-S1082 PolarHBondContact N-OG 3.06Å; I1070-S1082 PolarHBondContact O-N 2.88Å |
| 1083 | P | 89 | Confident | 81.2 | Confident | 65 Ų | 65 | 65 Ų | 65 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 154.1 | 159.8 | -27.3 | 37.2 | 0 | 0 | 0 | 112.3 | V950 E1085 | V950-P1083 HydrophobicContact CG1-CG 3.94Å; V950-P1083 HydrophobicContact CG2-CG 3.89Å; P1083-E1085 PolarHBondContact O-N 2.72Å |
| 1084 | T | 89.1 | Confident | 79 | Confident | 67 Ų | 67 | 72 Ų | 72 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | trans | -78.8 | 110.3 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | E1067 Q1069 | E1067-T1084 HydrophobicContact CB-CG2 3.66Å; E1067-T1084 HydrophobicContact CG-CG2 4.38Å; Q1069-T1084 HydrophobicContact CG-CG2 4.45Å | ||
| 1085 | E | 90.4 | Very high | 76.5 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 157 | 176.6 | -69.6 | -58.7 | 150.9 | 0 | 0 | 111 | I953 E1067 F1068 P1083 | I953-E1085 HydrophobicContact CG2-CG 4.17Å; E1067-E1085 CarbonylContact C-O 3.54Å; E1067-E1085 WeakPolarHBondContact CA-O 3.45Å; F1068-E1085 HydrophobicContact CD1-CB 3.84Å; F1068-E1085 WeakPolarHBondContact CD1-O 3.32Å; F1068-E1085 HydrophobicContact CD2-CB 4.47Å; F1068-E1085 HydrophobicContact CE1-CB 3.3Å; F1068-E1085 HydrophobicContact CE1-CG 4.48Å; F1068-E1085 HydrophobicContact CE2-CB 3.99Å; F1068-E1085 HydrophobicContact CG-CB 4.42Å; F1068-E1085 HydrophobicContact CZ-CB 3.39Å; F1068-E1085 HydrophobicContact CZ-CG 4.15Å; F1068-E1085 PolarHBondContact N-O 3.5Å; F1068-E1085 PolarHBondContact O-N 3.45Å; P1083-E1085 PolarHBondContact O-N 2.72Å |
| 1086 | I | 88.6 | Confident | 74.3 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 42% | 0.415 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.5 | -172.1 | -60.6 | 179 | 0 | 0 | 0 | 110.9 | Y1066 E1067 | Y1066-I1086 VanDerWaalsContact O-CA 3.31Å; Y1066-I1086 WeakPolarHBondContact O-CA 3.5Å; Y1066-I1086 WeakPolarHBondContact O-CG2 3.36Å; E1067-I1086 HydrophobicContact CB-CG1 4.44Å |
| 1087 | F | 88 | Confident | 71.9 | Confident | 11 Ų | 11 | 91.7 Ų | 91.7 | 5% | 0.048 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.9 | 170 | 69 | -96.2 | 0 | 0 | 0 | 111.8 | A955 I963 I965 L1061 Y1066 F1068 I1089 | A955-F1087 HydrophobicContact CB-CB 4.34Å; I963-F1087 HydrophobicContact CB-CD2 4.18Å; I963-F1087 HydrophobicContact CB-CE2 4.16Å; I963-F1087 HydrophobicContact CD1-CB 3.83Å; I963-F1087 HydrophobicContact CD1-CD2 3.84Å; I963-F1087 HydrophobicContact CD1-CG 3.87Å; I963-F1087 HydrophobicContact CG1-CB 4.3Å; I963-F1087 HydrophobicContact CG1-CD1 4.24Å; I963-F1087 HydrophobicContact CG1-CD2 3.89Å; I963-F1087 HydrophobicContact CG1-CE2 4.29Å; I963-F1087 HydrophobicContact CG1-CG 3.88Å; I963-F1087 HydrophobicContact CG2-CD2 4.26Å; I963-F1087 HydrophobicContact CG2-CE1 4.22Å; I963-F1087 HydrophobicContact CG2-CE2 3.79Å; I963-F1087 HydrophobicContact CG2-CZ 3.77Å; I965-F1087 HydrophobicContact CD1-CE1 4.42Å; L1061-F1087 HydrophobicContact CD1-CE2 3.65Å; L1061-F1087 HydrophobicContact CD1-CZ 3.75Å; Y1066-F1087 VanDerWaalsContact CB-CZ 3.42Å; Y1066-F1087 HydrophobicContact CD1-CZ 4.36Å; Y1066-F1087 HydrophobicContact CD2-CD2 4.33Å; Y1066-F1087 AromaticContact CD2-CE2 3.66Å; Y1066-F1087 HydrophobicContact CD2-CE2 3.66Å; Y1066-F1087 HydrophobicContact CD2-CZ 4.16Å; Y1066-F1087 AromaticContact CG-CE2 3.75Å; Y1066-F1087 HydrophobicContact CG-CE2 3.75Å; Y1066-F1087 AromaticContact CG-CZ 3.75Å; Y1066-F1087 HydrophobicContact CG-CZ 3.75Å; Y1066-F1087 PolarHBondContact N-O 3.14Å; Y1066-F1087 PolarHBondContact O-N 3.47Å; F1068-F1087 HydrophobicContact CB-CE1 4.38Å; F1068-F1087 AromaticContact CD1-CD1 3.55Å; F1068-F1087 HydrophobicContact CD1-CD1 3.55Å; F1068-F1087 AromaticContact CD1-CE1 3.89Å; F1068-F1087 HydrophobicContact CD1-CE1 3.89Å; F1068-F1087 AromaticContact CE1-CD1 3.91Å; F1068-F1087 HydrophobicContact CE1-CD1 3.91Å; F1068-F1087 HydrophobicContact CG-CD1 4.49Å; F1068-F1087 HydrophobicContact CG-CE1 4.42Å; F1087-I1089 HydrophobicContact CD2-CD1 3.99Å; F1087-I1089 HydrophobicContact CD2-CG1 4.21Å; F1087-I1089 HydrophobicContact CE2-CD1 3.87Å; F1087-I1089 HydrophobicContact CE2-CG1 3.92Å |
| 1088 | N | 84.5 | Confident | 69.5 | Low | 104 Ų | 104 | 99.8 Ų | 99.8 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.5 | -178.6 | -60.5 | -19.3 | 0 | 0 | 0 | 110.9 | S1065 | S1065-N1088 WeakPolarHBondContact CB-OD1 3.43Å; S1065-N1088 PolarHBondContact OG-OD1 3.24Å |
| 1089 | I | 82.3 | Confident | 67.2 | Low | 6 Ų | 6 | 98.9 Ų | 98.9 | 3% | 0.031 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.2 | 170.6 | -56.3 | -60.9 | 0 | 0 | 0 | 108.2 | I963 L1061 P1063 G1064 Y1066 F1087 | I963-I1089 HydrophobicContact CB-CD1 4.33Å; L1061-I1089 HydrophobicContact CB-CD1 4.44Å; L1061-I1089 HydrophobicContact CB-CG1 4.02Å; L1061-I1089 HydrophobicContact CD1-CD1 4.15Å; L1061-I1089 HydrophobicContact CD1-CG1 4.23Å; P1063-I1089 WeakPolarHBondContact CA-O 3.24Å; G1064-I1089 PolarHBondContact N-O 3.17Å; G1064-I1089 PolarHBondContact O-N 3.4Å; Y1066-I1089 HydrophobicContact CD2-CG1 4.06Å; Y1066-I1089 HydrophobicContact CE2-CB 4.32Å; Y1066-I1089 HydrophobicContact CE2-CG1 3.81Å; F1087-I1089 HydrophobicContact CD2-CD1 3.99Å; F1087-I1089 HydrophobicContact CD2-CG1 4.21Å; F1087-I1089 HydrophobicContact CE2-CD1 3.87Å; F1087-I1089 HydrophobicContact CE2-CG1 3.92Å |
| 1090 | P | 73.1 | Confident | 65 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | trans | -72.2 | 152.6 | -178.9 | 30 | -35 | 0 | 0 | 0 | 112.2 | ||||
| 1091 | F | 59.3 | Low | 62.8 | Low | 171 Ų | 171 | 107.9 Ų | 107.9 | 75% | 0.75 | 56% | 0.564 | S | S | * | * | trans | -68 | 140.4 | 169.3 | -99.3 | -87.8 | 0 | 0 | 0 | 111.1 | P1063 | P1063-F1091 HydrophobicContact CB-CB 4.23Å; P1063-F1091 HydrophobicContact CB-CD1 3.93Å; P1063-F1091 HydrophobicContact CB-CD2 3.44Å; P1063-F1091 VanDerWaalsContact CB-CD2 3.44Å; P1063-F1091 HydrophobicContact CB-CE1 4.12Å; P1063-F1091 HydrophobicContact CB-CE2 3.66Å; P1063-F1091 HydrophobicContact CB-CG 3.59Å; P1063-F1091 HydrophobicContact CB-CZ 3.99Å; P1063-F1091 HydrophobicContact CG-CB 4.48Å; P1063-F1091 HydrophobicContact CG-CD1 3.94Å; P1063-F1091 HydrophobicContact CG-CD2 4.34Å; P1063-F1091 HydrophobicContact CG-CE1 4.22Å; P1063-F1091 HydrophobicContact CG-CG 4Å | ||
| 1092 | Y | 56.1 | Low | 60.9 | Low | 183 Ų | 183 | 115.3 Ų | 115.3 | 72% | 0.718 | 59% | 0.592 | S | S | * | * | trans | -134.6 | 129.5 | 172 | -151.6 | -91.6 | 0 | 0 | 0 | 108.1 | ||||
| 1093 | T | 45.2 | Very low | 58.9 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -116.2 | 115 | -174.8 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1094 | D | 40 | Very low | 57.2 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 81% | 0.807 | 64% | 0.64 | S | S | * | * | trans | -145.7 | 165 | 166.9 | -151.2 | -15.1 | 0 | 0 | 0 | 110.4 | ||||
| 1095 | Y | 35 | Very low | 55.7 | Low | 201 Ų | 201 | 126.7 Ų | 126.7 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | trans | -114.3 | 162.3 | -154.1 | -134.4 | -104.9 | 0 | 0 | 0 | 114 | ||||
| 1096 | N | 36.8 | Very low | 54.1 | Low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 66% | 0.658 | S | S | * | * | trans | 86.6 | 150.3 | 168.7 | -47.5 | -67.9 | 0 | 0 | 0 | 119.3 | ||||
| 1097 | G | 33.4 | Very low | 52.8 | Low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | trans | 136.2 | 13.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | V1099 | G1097-V1099 PolarHBondContact O-N 2.95Š| ||
| 1098 | I | 32.9 | Very low | 51.5 | Low | 170 Ų | 170 | 132.8 Ų | 132.8 | 87% | 0.872 | 69% | 0.685 | S | S | * | * | trans | -76.7 | 111.5 | -174.3 | -54.5 | 166.7 | 0 | 0 | 0 | 113.8 | ||||
| 1099 | V | 36.3 | Very low | 50.6 | Low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -154.1 | 112.1 | 148.6 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | G1097 | G1097-V1099 PolarHBondContact O-N 2.95Š| ||
| 1100 | N | 35.9 | Very low | 50.1 | Low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | 146 | 97.5 | 139.8 | -87.1 | -66.3 | 0 | 0 | 0 | 114.2 | ||||
| 1101 | Q | 42 | Very low | 50 | Low | 185 Ų | 185 | 137.7 Ų | 137.7 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -122.9 | -2.5 | 169 | -87.1 | -173 | -17 | 0 | 0 | 115.3 | K1103 | Q1101-K1103 PolarHBondContact O-N 3.5Š| ||
| 1102 | R | 48.9 | Very low | 50.8 | Low | 238 Ų | 238 | 134 Ų | 134 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -4.9 | -172.6 | -84.1 | -174.9 | 172.5 | 172.8 | -1.5 | 116.9 | ||
| 1103 | K | 50 | Low | 51.9 | Low | 181 Ų | 181 | 127.2 Ų | 127.2 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -22.2 | -178.7 | -78.6 | -172.5 | 174.5 | -179 | 0 | 115.6 | Q1101 | Q1101-K1103 PolarHBondContact O-N 3.5Š|
| 1104 | L | 53.7 | Low | 53.5 | Low | 134 Ų | 134 | 123.7 Ų | 123.7 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -36.1 | -171.4 | -137.8 | 73.7 | 0 | 0 | 0 | 113.6 | N1106 I1107 | L1104-N1106 VanDerWaalsContact C-N 3.32Å; L1104-N1106 PolarHBondContact O-N 3.38Å; L1104-I1107 PolarHBondContact O-N 3.26Å |
| 1105 | A | 57.2 | Low | 55.5 | Low | 62 Ų | 62 | 123.3 Ų | 123.3 | 51% | 0.512 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.1 | -36 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | I1107 C1108 T1109 | A1105-I1107 VanDerWaalsContact C-N 3.27Å; A1105-I1107 PolarHBondContact O-N 3.12Å; A1105-C1108 PolarHBondContact O-N 2.59Å; A1105-T1109 PolarHBondContact O-N 2.99Å |
| 1106 | N | 56.2 | Low | 57.6 | Low | 114 Ų | 114 | 117 Ų | 117 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.3 | -15.2 | -177.5 | -69.7 | 7.3 | 0 | 0 | 0 | 113.7 | L1104 T1109 I1110 | L1104-N1106 VanDerWaalsContact C-N 3.32Å; L1104-N1106 PolarHBondContact O-N 3.38Å; N1106-T1109 PolarHBondContact O-OG1 3.01Å; N1106-I1110 WeakPolarHBondContact O-CD1 3.06Å; N1106-I1110 WeakPolarHBondContact O-CG1 3.37Å |
| 1107 | I | 61.6 | Low | 59.8 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 55% | 0.549 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -81.9 | -42.6 | 177.3 | -61 | 177 | 0 | 0 | 0 | 109.5 | L1104 A1105 T1109 I1110 T1111 | L1104-I1107 PolarHBondContact O-N 3.26Å; A1105-I1107 VanDerWaalsContact C-N 3.27Å; A1105-I1107 PolarHBondContact O-N 3.12Å; I1107-T1109 PolarHBondContact O-N 2.82Å; I1107-I1110 PolarHBondContact O-N 3.17Å; I1107-T1111 PolarHBondContact O-N 3.33Å; I1107-T1111 PolarHBondContact O-OG1 3.19Å |
| 1108 | C | 60.2 | Low | 62.1 | Low | 74 Ų | 74 | 116 Ų | 116 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.2 | -32.7 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | A1105 T1111 V1112 | A1105-C1108 PolarHBondContact O-N 2.59Å; C1108-T1111 PolarHBondContact O-OG1 2.02Å; C1108-V1112 WeakPolarHBondContact O-CB 3.05Å; C1108-V1112 VanDerWaalsContact O-CG2 3.29Å; C1108-V1112 WeakPolarHBondContact O-CG2 3.42Å; C1108-V1112 PolarHBondContact O-N 3.17Å; C1108-V1112 VanDerWaalsContact O-N 3.17Å |
| 1109 | T | 66.4 | Low | 64.5 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.1 | -36.6 | 177.7 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | A1105 N1106 I1107 G1113 | A1105-T1109 PolarHBondContact O-N 2.99Å; N1106-T1109 PolarHBondContact O-OG1 3.01Å; I1107-T1109 PolarHBondContact O-N 2.82Å; T1109-G1113 PolarHBondContact O-N 3.35Å; T1109-G1113 VanDerWaalsContact O-N 3.12Å |
| 1110 | I | 72.2 | Confident | 66.7 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.8 | -44 | 178.1 | -64 | 172.3 | 0 | 0 | 0 | 110.9 | N1106 I1107 G1113 A1114 | N1106-I1110 WeakPolarHBondContact O-CD1 3.06Å; N1106-I1110 WeakPolarHBondContact O-CG1 3.37Å; I1107-I1110 PolarHBondContact O-N 3.17Å; I1110-G1113 PolarHBondContact O-N 2.84Å; I1110-A1114 WeakPolarHBondContact O-CB 3.41Å; I1110-A1114 PolarHBondContact O-N 3.49Å |
| 1111 | T | 70.6 | Confident | 69.1 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 52% | 0.515 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.8 | -41.7 | -179.3 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | I1107 C1108 G1113 A1114 F1115 | I1107-T1111 PolarHBondContact O-N 3.33Å; I1107-T1111 PolarHBondContact O-OG1 3.19Å; C1108-T1111 PolarHBondContact O-OG1 2.02Å; T1111-G1113 VanDerWaalsContact C-N 3.35Å; T1111-G1113 PolarHBondContact O-N 2.8Å; T1111-A1114 PolarHBondContact O-N 2.95Å; T1111-F1115 WeakPolarHBondContact O-CB 3.45Å; T1111-F1115 PolarHBondContact O-N 3.01Å |
| 1112 | V | 77 | Confident | 71 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -38.4 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | C1108 S1116 | C1108-V1112 WeakPolarHBondContact O-CB 3.05Å; C1108-V1112 VanDerWaalsContact O-CG2 3.29Å; C1108-V1112 WeakPolarHBondContact O-CG2 3.42Å; C1108-V1112 PolarHBondContact O-N 3.17Å; C1108-V1112 VanDerWaalsContact O-N 3.17Å; V1112-S1116 WeakPolarHBondContact O-CB 3.47Å; V1112-S1116 PolarHBondContact O-N 3.31Å; V1112-S1116 PolarHBondContact O-OG 3.13Å |
| 1113 | G | 78.2 | Confident | 72.6 | Confident | 41 Ų | 41 | 97.7 Ų | 97.7 | 42% | 0.423 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1109 I1110 T1111 S1116 L1117 | T1109-G1113 PolarHBondContact O-N 3.35Å; T1109-G1113 VanDerWaalsContact O-N 3.12Å; I1110-G1113 PolarHBondContact O-N 2.84Å; T1111-G1113 VanDerWaalsContact C-N 3.35Å; T1111-G1113 PolarHBondContact O-N 2.8Å; G1113-S1116 PolarHBondContact O-N 3.37Å; G1113-L1117 WeakPolarHBondContact O-CB 3.19Å; G1113-L1117 PolarHBondContact O-N 3.21Å |
| 1114 | A | 79.9 | Confident | 74.2 | Confident | 54 Ų | 54 | 92.7 Ų | 92.7 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1110 T1111 L1117 L1118 | I1110-A1114 WeakPolarHBondContact O-CB 3.41Å; I1110-A1114 PolarHBondContact O-N 3.49Å; T1111-A1114 PolarHBondContact O-N 2.95Å; A1114-L1117 PolarHBondContact O-N 2.7Å; A1114-L1118 PolarHBondContact O-N 2.96Å |
| 1115 | F | 80.6 | Confident | 75.5 | Confident | 143 Ų | 143 | 91 Ų | 91 | 63% | 0.627 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 177.6 | -161.1 | -96.3 | 0 | 0 | 0 | 111.7 | T1111 L1117 L1118 C1119 | T1111-F1115 WeakPolarHBondContact O-CB 3.45Å; T1111-F1115 PolarHBondContact O-N 3.01Å; F1115-L1117 VanDerWaalsContact C-N 3.33Å; F1115-L1117 PolarHBondContact O-N 3.23Å; F1115-L1118 PolarHBondContact O-N 3.33Å; F1115-C1119 VanDerWaalsContact CE1-SG 3.59Å; F1115-C1119 WeakPolarHBondContact O-CB 3.48Å; F1115-C1119 PolarHBondContact O-N 2.85Å; F1115-C1119 PolarHBondContact O-SG 2.9Å; F1115-C1119 VanDerWaalsContact O-SG 3.39Å |
| 1116 | S | 79.4 | Confident | 76.5 | Confident | 69 Ų | 69 | 95.4 Ų | 95.4 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | V1112 G1113 C1119 F1120 | V1112-S1116 WeakPolarHBondContact O-CB 3.47Å; V1112-S1116 PolarHBondContact O-N 3.31Å; V1112-S1116 PolarHBondContact O-OG 3.13Å; G1113-S1116 PolarHBondContact O-N 3.37Å; S1116-C1119 PolarHBondContact O-N 3.08Å; S1116-F1120 WeakPolarHBondContact O-CB 3.38Å; S1116-F1120 PolarHBondContact O-N 2.9Å |
| 1117 | L | 82.5 | Confident | 77.5 | Confident | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 176.3 | -166.1 | 76.2 | 0 | 0 | 0 | 111.6 | G1113 A1114 F1115 F1120 I1121 | G1113-L1117 WeakPolarHBondContact O-CB 3.19Å; G1113-L1117 PolarHBondContact O-N 3.21Å; A1114-L1117 PolarHBondContact O-N 2.7Å; F1115-L1117 VanDerWaalsContact C-N 3.33Å; F1115-L1117 PolarHBondContact O-N 3.23Å; L1117-F1120 PolarHBondContact O-N 3.14Å; L1117-I1121 HydrophobicContact CD2-CD1 4.39Å; L1117-I1121 HydrophobicContact CG-CD1 4.04Å; L1117-I1121 WeakPolarHBondContact O-CB 3.04Å; L1117-I1121 VanDerWaalsContact O-CG1 3.31Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.22Å; L1117-I1121 PolarHBondContact O-N 3.22Å |
| 1118 | L | 82.8 | Confident | 78.2 | Confident | 100 Ų | 100 | 98.1 Ų | 98.1 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 174.9 | -97.6 | 165.8 | 0 | 0 | 0 | 111.8 | A1114 F1115 F1120 I1121 F1122 | A1114-L1118 PolarHBondContact O-N 2.96Å; F1115-L1118 PolarHBondContact O-N 3.33Å; L1118-F1120 VanDerWaalsContact C-N 3.31Å; L1118-F1120 PolarHBondContact O-N 3.01Å; L1118-I1121 PolarHBondContact O-N 2.8Å; L1118-F1122 WeakPolarHBondContact O-CB 3.38Å; L1118-F1122 PolarHBondContact O-N 3.36Å |
| 1119 | C | 82.5 | Confident | 78.9 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 46% | 0.459 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | F1115 S1116 G1123 | F1115-C1119 VanDerWaalsContact CE1-SG 3.59Å; F1115-C1119 WeakPolarHBondContact O-CB 3.48Å; F1115-C1119 PolarHBondContact O-N 2.85Å; F1115-C1119 PolarHBondContact O-SG 2.9Å; F1115-C1119 VanDerWaalsContact O-SG 3.39Å; S1116-C1119 PolarHBondContact O-N 3.08Å; C1119-G1123 PolarHBondContact O-N 2.95Å |
| 1120 | F | 83.5 | Confident | 79.2 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71 | -39.1 | 176.6 | -164.4 | -107.1 | 0 | 0 | 0 | 112.2 | S1116 L1117 L1118 G1123 I1124 | S1116-F1120 WeakPolarHBondContact O-CB 3.38Å; S1116-F1120 PolarHBondContact O-N 2.9Å; L1117-F1120 PolarHBondContact O-N 3.14Å; L1118-F1120 VanDerWaalsContact C-N 3.31Å; L1118-F1120 PolarHBondContact O-N 3.01Å; F1120-G1123 PolarHBondContact O-N 3.43Å; F1120-I1124 HydrophobicContact CD1-CD1 3.75Å; F1120-I1124 HydrophobicContact CE1-CD1 3.54Å; F1120-I1124 HydrophobicContact CE1-CG1 4.48Å; F1120-I1124 HydrophobicContact CZ-CD1 4.25Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; F1120-I1124 PolarHBondContact O-N 2.95Å |
| 1121 | I | 85.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 174 | -70.3 | 168 | 0 | 0 | 0 | 110.5 | L1117 L1118 G1123 I1124 I1125 | L1117-I1121 HydrophobicContact CD2-CD1 4.39Å; L1117-I1121 HydrophobicContact CG-CD1 4.04Å; L1117-I1121 WeakPolarHBondContact O-CB 3.04Å; L1117-I1121 VanDerWaalsContact O-CG1 3.31Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.22Å; L1117-I1121 PolarHBondContact O-N 3.22Å; L1118-I1121 PolarHBondContact O-N 2.8Å; I1121-G1123 VanDerWaalsContact C-N 3.29Å; I1121-G1123 PolarHBondContact O-N 3.06Å; I1121-I1124 PolarHBondContact O-N 2.03Å; I1121-I1125 HydrophobicContact CG2-CD1 3.73Å; I1121-I1125 HydrophobicContact CG2-CG1 4.36Å; I1121-I1125 WeakPolarHBondContact O-CB 3.33Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.23Å; I1121-I1125 PolarHBondContact O-N 3.37Å |
| 1122 | F | 82.7 | Confident | 78.9 | Confident | 145 Ų | 145 | 104.8 Ų | 104.8 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.5 | -40.7 | 172.1 | -107.8 | -85.8 | 0 | 0 | 0 | 111.4 | L1118 I1124 I1125 W1126 | L1118-F1122 WeakPolarHBondContact O-CB 3.38Å; L1118-F1122 PolarHBondContact O-N 3.36Å; F1122-I1124 PolarHBondContact O-N 3.3Å; F1122-I1125 PolarHBondContact O-N 3.35Å; F1122-W1126 WeakPolarHBondContact O-CB 3.47Å; F1122-W1126 PolarHBondContact O-N 2.85Å |
| 1123 | G | 83.1 | Confident | 77.5 | Confident | 34 Ų | 34 | 108.2 Ų | 108.2 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1119 F1120 I1121 Y1127 | C1119-G1123 PolarHBondContact O-N 2.95Å; F1120-G1123 PolarHBondContact O-N 3.43Å; I1121-G1123 VanDerWaalsContact C-N 3.29Å; I1121-G1123 PolarHBondContact O-N 3.06Å; G1123-Y1127 WeakPolarHBondContact O-CB 3.44Å; G1123-Y1127 PolarHBondContact O-N 3.03Å |
| 1124 | I | 83.2 | Confident | 76.3 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71 | -41.8 | 176.2 | -72 | 168.9 | 0 | 0 | 0 | 111.9 | F1120 I1121 F1122 Y1127 K1128 | F1120-I1124 HydrophobicContact CD1-CD1 3.75Å; F1120-I1124 HydrophobicContact CE1-CD1 3.54Å; F1120-I1124 HydrophobicContact CE1-CG1 4.48Å; F1120-I1124 HydrophobicContact CZ-CD1 4.25Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; F1120-I1124 PolarHBondContact O-N 2.95Å; I1121-I1124 PolarHBondContact O-N 2.03Å; F1122-I1124 PolarHBondContact O-N 3.3Å; I1124-Y1127 PolarHBondContact O-N 3.15Å; I1124-K1128 WeakPolarHBondContact O-CB 3.37Å; I1124-K1128 PolarHBondContact O-N 2.74Å |
| 1125 | I | 80.2 | Confident | 74.7 | Confident | 99 Ų | 99 | 116.9 Ų | 116.9 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 177.4 | -69.7 | 170.8 | 0 | 0 | 0 | 109.6 | I1121 F1122 Y1127 K1128 A1129 | I1121-I1125 HydrophobicContact CG2-CD1 3.73Å; I1121-I1125 HydrophobicContact CG2-CG1 4.36Å; I1121-I1125 WeakPolarHBondContact O-CB 3.33Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.23Å; I1121-I1125 PolarHBondContact O-N 3.37Å; F1122-I1125 PolarHBondContact O-N 3.35Å; I1125-Y1127 PolarHBondContact O-N 3.2Å; I1125-K1128 PolarHBondContact O-N 3.23Å; I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.4Å; I1125-A1129 PolarHBondContact O-N 3.19Å |
| 1126 | W | 78.9 | Confident | 73.1 | Confident | 154 Ų | 154 | 115 Ų | 115 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 175.4 | -178.1 | 88.6 | 0 | 0 | 0 | 111.7 | F1122 A1129 R1130 | F1122-W1126 WeakPolarHBondContact O-CB 3.47Å; F1122-W1126 PolarHBondContact O-N 2.85Å; W1126-A1129 PolarHBondContact O-N 2.8Å; W1126-R1130 WeakPolarHBondContact O-CA 3.42Å; W1126-R1130 WeakPolarHBondContact O-CB 3.29Å; W1126-R1130 PolarHBondContact O-N 3.49Å |
| 1127 | Y | 77.7 | Confident | 71.1 | Confident | 126 Ų | 126 | 115.8 Ų | 115.8 | 49% | 0.494 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 174.6 | 179.5 | -98 | 0 | 0 | 0 | 112 | G1123 I1124 I1125 R1131 | G1123-Y1127 WeakPolarHBondContact O-CB 3.44Å; G1123-Y1127 PolarHBondContact O-N 3.03Å; I1124-Y1127 PolarHBondContact O-N 3.15Å; I1125-Y1127 PolarHBondContact O-N 3.2Å; Y1127-R1131 WeakPolarHBondContact O-CB 3.15Å; Y1127-R1131 PolarHBondContact O-N 2.88Å; Y1127-R1131 PolarHBondContact OH-NH1 2.86Å |
| 1128 | K | 76.3 | Confident | 68.7 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -46.5 | 175.1 | -81.9 | -173.4 | 174.9 | -178.5 | 0 | 111.9 | I1124 I1125 R1131 Y1132 | I1124-K1128 WeakPolarHBondContact O-CB 3.37Å; I1124-K1128 PolarHBondContact O-N 2.74Å; I1125-K1128 PolarHBondContact O-N 3.23Å; K1128-R1131 CarbonylContact O-C 3.57Å; K1128-R1131 PolarHBondContact O-N 3.12Å; K1128-Y1132 WeakPolarHBondContact O-CB 3.23Å; K1128-Y1132 PolarHBondContact O-N 3.34Å |
| 1129 | A | 74 | Confident | 66 | Low | 55 Ų | 55 | 119.1 Ų | 119.1 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -50.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | I1125 W1126 R1131 Y1132 Y1133 | I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.4Å; I1125-A1129 PolarHBondContact O-N 3.19Å; W1126-A1129 PolarHBondContact O-N 2.8Å; A1129-R1131 VanDerWaalsContact C-N 3.32Å; A1129-R1131 PolarHBondContact O-N 2.98Å; A1129-Y1132 WeakPolarHBondContact O-CB 3.17Å; A1129-Y1132 PolarHBondContact O-N 2.04Å; A1129-Y1132 VanDerWaalsContact O-N 3.11Å; A1129-Y1133 WeakPolarHBondContact O-CB 3.21Å; A1129-Y1133 PolarHBondContact O-N 2.89Å |
| 1130 | R | 72.7 | Confident | 63.4 | Low | 136 Ų | 136 | 120.7 Ų | 120.7 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.2 | -39.1 | 174.9 | -175.5 | 171.6 | 175.6 | 156.7 | 2.2 | 111.9 | W1126 L1134 | W1126-R1130 WeakPolarHBondContact O-CA 3.42Å; W1126-R1130 WeakPolarHBondContact O-CB 3.29Å; W1126-R1130 PolarHBondContact O-N 3.49Å; R1130-L1134 HydrophobicContact CG-CD1 3.79Å; R1130-L1134 HydrophobicContact CG-CG 4.34Å; R1130-L1134 WeakPolarHBondContact O-CB 3.48Å; R1130-L1134 WeakPolarHBondContact O-CD1 3.33Å; R1130-L1134 WeakPolarHBondContact O-CG 3.41Å; R1130-L1134 PolarHBondContact O-N 3.18Å |
| 1131 | R | 71.3 | Confident | 60.8 | Low | 152 Ų | 152 | 119.2 Ų | 119.2 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78 | -16.5 | 177.5 | -162.4 | 174 | -168.5 | -169.5 | 3 | 113.9 | Y1127 K1128 A1129 | Y1127-R1131 WeakPolarHBondContact O-CB 3.15Å; Y1127-R1131 PolarHBondContact O-N 2.88Å; Y1127-R1131 PolarHBondContact OH-NH1 2.86Å; K1128-R1131 CarbonylContact O-C 3.57Å; K1128-R1131 PolarHBondContact O-N 3.12Å; A1129-R1131 VanDerWaalsContact C-N 3.32Å; A1129-R1131 PolarHBondContact O-N 2.98Å |
| 1132 | Y | 64.6 | Low | 58.2 | Low | 172 Ų | 172 | 121.6 Ų | 121.6 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82.7 | -49.2 | 168.2 | -172.9 | -96.6 | 0 | 0 | 0 | 110.3 | K1128 A1129 L1134 K1135 V1136 | K1128-Y1132 WeakPolarHBondContact O-CB 3.23Å; K1128-Y1132 PolarHBondContact O-N 3.34Å; A1129-Y1132 WeakPolarHBondContact O-CB 3.17Å; A1129-Y1132 PolarHBondContact O-N 2.04Å; A1129-Y1132 VanDerWaalsContact O-N 3.11Å; Y1132-L1134 PolarHBondContact O-N 3.19Å; Y1132-K1135 CarbonylContact O-C 3.57Å; Y1132-K1135 WeakPolarHBondContact O-CA 3.37Å; Y1132-K1135 WeakPolarHBondContact O-CB 3.16Å; Y1132-K1135 PolarHBondContact O-N 3.26Å; Y1132-V1136 HydrophobicContact CD1-CG2 4.37Å; Y1132-V1136 HydrophobicContact CE1-CG2 4.15Å; Y1132-V1136 WeakPolarHBondContact O-CG2 3.35Å; Y1132-V1136 PolarHBondContact O-N 2.79Å; Y1132-V1136 VanDerWaalsContact O-N 3.11Å |
| 1133 | Y | 49.1 | Very low | 55.8 | Low | 164 Ų | 164 | 120.1 Ų | 120.1 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.6 | -51.6 | 176 | -151.2 | -95.6 | 0 | 0 | 0 | 111.3 | A1129 K1135 V1136 T1137 | A1129-Y1133 WeakPolarHBondContact O-CB 3.21Å; A1129-Y1133 PolarHBondContact O-N 2.89Å; Y1133-K1135 PolarHBondContact O-N 3.26Å; Y1133-V1136 PolarHBondContact O-N 2.71Å; Y1133-T1137 HydrophobicContact CD1-CG2 4.03Å; Y1133-T1137 HydrophobicContact CE1-CG2 3.88Å; Y1133-T1137 PolarHBondContact O-N 2.04Å; Y1133-T1137 PolarHBondContact O-OG1 3.36Å; Y1133-T1137 VanDerWaalsContact O-OG1 3.11Å |
| 1134 | L | 52.1 | Low | 53.4 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.2 | -7.3 | 173.6 | -70.6 | 171.2 | 0 | 0 | 0 | 114.7 | R1130 Y1132 A1138 | R1130-L1134 HydrophobicContact CG-CD1 3.79Å; R1130-L1134 HydrophobicContact CG-CG 4.34Å; R1130-L1134 WeakPolarHBondContact O-CB 3.48Å; R1130-L1134 WeakPolarHBondContact O-CD1 3.33Å; R1130-L1134 WeakPolarHBondContact O-CG 3.41Å; R1130-L1134 PolarHBondContact O-N 3.18Å; Y1132-L1134 PolarHBondContact O-N 3.19Å; L1134-A1138 WeakPolarHBondContact O-CB 3.19Å |
| 1135 | K | 46.6 | Very low | 50.9 | Low | 174 Ų | 174 | 121.5 Ų | 121.5 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -98.2 | -16.9 | 170 | -94.3 | -169.5 | 167.9 | -166.5 | 0 | 113.5 | Y1132 Y1133 | Y1132-K1135 CarbonylContact O-C 3.57Å; Y1132-K1135 WeakPolarHBondContact O-CA 3.37Å; Y1132-K1135 WeakPolarHBondContact O-CB 3.16Å; Y1132-K1135 PolarHBondContact O-N 3.26Å; Y1133-K1135 PolarHBondContact O-N 3.26Å |
| 1136 | V | 46.1 | Very low | 48.4 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 63% | 0.63 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -100.4 | -32.8 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | Y1132 Y1133 | Y1132-V1136 HydrophobicContact CD1-CG2 4.37Å; Y1132-V1136 HydrophobicContact CE1-CG2 4.15Å; Y1132-V1136 WeakPolarHBondContact O-CG2 3.35Å; Y1132-V1136 PolarHBondContact O-N 2.79Å; Y1132-V1136 VanDerWaalsContact O-N 3.11Å; Y1133-V1136 PolarHBondContact O-N 2.71Å |
| 1137 | T | 38.1 | Very low | 46 | Very low | 84 Ų | 84 | 117.9 Ų | 117.9 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -96.5 | 7.1 | -177.6 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | Y1133 W1139 | Y1133-T1137 HydrophobicContact CD1-CG2 4.03Å; Y1133-T1137 HydrophobicContact CE1-CG2 3.88Å; Y1133-T1137 PolarHBondContact O-N 2.04Å; Y1133-T1137 PolarHBondContact O-OG1 3.36Å; Y1133-T1137 VanDerWaalsContact O-OG1 3.11Å; T1137-W1139 PolarHBondContact O-N 2.82Å |
| 1138 | A | 31.4 | Very low | 43.8 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | trans | -94.4 | 45.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1134 | L1134-A1138 WeakPolarHBondContact O-CB 3.19Š| ||
| 1139 | W | 26.6 | Very low | 42.3 | Very low | 214 Ų | 214 | 114 Ų | 114 | 81% | 0.811 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -140.2 | 124 | 167.3 | -79.9 | 89.4 | 0 | 0 | 0 | 112.8 | T1137 | T1137-W1139 PolarHBondContact O-N 2.82Š|
| 1140 | T | 27.2 | Very low | 41.2 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | trans | 55.9 | 111.6 | 159 | 52.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1141 | S | 30.8 | Very low | 40.3 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 80% | 0.804 | 57% | 0.568 | S | S | * | * | trans | -146.2 | 87.8 | 142.9 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | N1143 | S1141-N1143 PolarHBondContact O-N 3.3Š| ||
| 1142 | N | 29.3 | Very low | 40 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 70% | 0.695 | 56% | 0.558 | S | S | * | * | trans | -83.3 | 96.1 | 175.5 | -74.9 | -2.2 | 0 | 0 | 0 | 109.2 | P1144 | N1142-P1144 WeakPolarHBondContact O-CD 3.48Š| ||
| 1143 | N | 31.9 | Very low | 40.4 | Very low | 113 Ų | 113 | 102.5 Ų | 102.5 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | trans | -65.8 | 121.4 | 179.5 | -169.7 | -29.2 | 0 | 0 | 0 | 110.1 | K171 S1141 | K171-N1143 WeakPolarHBondContact CD-O 3.08Å; K171-N1143 VanDerWaalsContact CE-O 3.25Å; K171-N1143 WeakPolarHBondContact CE-O 3.31Å; K171-N1143 WeakPolarHBondContact CE-OD1 3.43Å; K171-N1143 HydrophobicContact CG-CB 4.14Å; K171-N1143 WeakPolarHBondContact CG-O 3.22Å; K171-N1143 PolarHBondContact NZ-OD1 3.18Å; S1141-N1143 PolarHBondContact O-N 3.3Å | ||
| 1144 | P | 33.3 | Very low | 41.9 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 37% | 0.37 | 54% | 0.537 | S | S | . | . | trans | -98.1 | 148 | -160.9 | 37 | -36.3 | 0 | 0 | 0 | 114.1 | K171 N1142 | K171-P1144 PolarHBondContact NZ-O 2.72Å; N1142-P1144 WeakPolarHBondContact O-CD 3.48Å | ||
| 1145 | D | 30.5 | Very low | 43.5 | Very low | 82 Ų | 82 | 96.5 Ų | 96.5 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -168.5 | -41.2 | 168.9 | -106.4 | -38.6 | 0 | 0 | 0 | 112.8 | K171 | K171-D1145 HydrophobicContact CD-CB 4.33Å; K171-D1145 IonicContact NZ-OD2 3.07Å; K171-D1145 PolarHBondContact NZ-OD2 3.06Å |
| 1146 | Y | 27.9 | Very low | 45.3 | Very low | 103 Ų | 103 | 89.8 Ų | 89.8 | 40% | 0.404 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -107 | 17.1 | -165.6 | -86.4 | -73.5 | 0 | 0 | 0 | 117.3 | K117 R138 D140 | K117-Y1146 PolarHBondContact NZ-O 2.87Å; R138-Y1146 PolarHBondContact NH1-OH 3.38Å; R138-Y1146 PolarHBondContact NH2-OH 3.07Å; D140-Y1146 WeakPolarHBondContact OD1-CD2 3.43Å; D140-Y1146 WeakPolarHBondContact OD2-CD2 3.48Å; D140-Y1146 WeakPolarHBondContact OD2-CE2 3.28Å |
| 1147 | C | 28.4 | Very low | 47.1 | Very low | 74 Ų | 74 | 85.2 Ų | 85.2 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -148.4 | 150.3 | 160.1 | -76.9 | 0 | 0 | 0 | 0 | 106 | I1149 | C1147-I1149 HydrophobicContact CB-CB 4.5Å; C1147-I1149 HydrophobicContact CB-CD1 3.99Å; C1147-I1149 HydrophobicContact CB-CG1 3.71Å; C1147-I1149 PolarHBondContact O-N 3.47Å |
| 1148 | T | 32.5 | Very low | 49.2 | Very low | 110 Ų | 110 | 83.4 Ų | 83.4 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | trans | -70.6 | 71.3 | 149.4 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | Y1150 | T1148-Y1150 PolarHBondContact O-N 2.95Š| ||
| 1149 | I | 43.8 | Very low | 51.4 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | trans | -57.3 | 126.8 | 167.8 | -84.4 | 146.2 | 0 | 0 | 0 | 105.9 | C1147 E1151 | C1147-I1149 HydrophobicContact CB-CB 4.5Å; C1147-I1149 HydrophobicContact CB-CD1 3.99Å; C1147-I1149 HydrophobicContact CB-CG1 3.71Å; C1147-I1149 PolarHBondContact O-N 3.47Å; I1149-E1151 PolarHBondContact O-N 2.96Å | ||
| 1150 | Y | 50.1 | Low | 53.9 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | trans | -58 | 104.6 | 164.2 | 178.8 | -87.2 | 0 | 0 | 0 | 107.4 | T1148 V1152 D1153 I1221 K1228 L1241 T1243 | T1148-Y1150 PolarHBondContact O-N 2.95Å; Y1150-V1152 HydrophobicContact CD1-CG2 3.89Å; Y1150-V1152 HydrophobicContact CE1-CG2 4.08Å; Y1150-V1152 PolarHBondContact O-N 3.44Å; Y1150-D1153 PolarHBondContact OH-OD1 3.22Å; Y1150-I1221 HydrophobicContact CD2-CG2 4.14Å; Y1150-K1228 VanDerWaalsContact CZ-NZ 3.28Å; Y1150-K1228 WeakPolarHBondContact OH-CE 3.43Å; Y1150-K1228 PolarHBondContact OH-NZ 2.64Å; Y1150-L1241 HydrophobicContact CD2-CD2 4.02Å; Y1150-L1241 HydrophobicContact CE2-CB 4.44Å; Y1150-L1241 HydrophobicContact CE2-CD1 3.86Å; Y1150-L1241 HydrophobicContact CE2-CD2 3.54Å; Y1150-L1241 HydrophobicContact CE2-CG 4.15Å; Y1150-T1243 HydrophobicContact CD1-CG2 3.54Å; Y1150-T1243 HydrophobicContact CD2-CG2 4.37Å; Y1150-T1243 HydrophobicContact CE1-CG2 3.8Å; Y1150-T1243 HydrophobicContact CG-CG2 3.88Å | ||
| 1151 | E | 54.8 | Low | 56.6 | Low | 131 Ų | 131 | 72.6 Ų | 72.6 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | trans | -65.8 | 127.6 | 170.3 | -65 | -158.6 | 150.1 | 0 | 0 | 107.8 | I1149 D1153 | I1149-E1151 PolarHBondContact O-N 2.96Å; E1151-D1153 VanDerWaalsContact C-N 3.34Å; E1151-D1153 PolarHBondContact O-N 2.67Å | ||
| 1152 | V | 65.2 | Low | 59 | Low | 60 Ų | 60 | 67.7 Ų | 67.7 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | trans | -80.6 | 90.5 | -173.2 | 169.2 | 0 | 0 | 0 | 0 | 109.1 | Y1150 E1156 K1244 | Y1150-V1152 HydrophobicContact CD1-CG2 3.89Å; Y1150-V1152 HydrophobicContact CE1-CG2 4.08Å; Y1150-V1152 PolarHBondContact O-N 3.44Å; V1152-E1156 HydrophobicContact CG1-CB 3.66Å; V1152-E1156 HydrophobicContact CG1-CG 3.7Å; V1152-K1244 HydrophobicContact CG1-CD 4.1Å; V1152-K1244 VanDerWaalsContact CG1-NZ 3.27Å; V1152-K1244 HydrophobicContact CG2-CD 4.11Å; V1152-K1244 HydrophobicContact CG2-CG 4.29Å | ||
| 1153 | D | 73.3 | Confident | 61.4 | Low | 60 Ų | 60 | 65.2 Ų | 65.2 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | trans | -88.8 | -170.3 | 176.3 | 66.8 | -10.5 | 0 | 0 | 0 | 112.5 | Y1150 E1151 W1155 E1156 K1228 | Y1150-D1153 PolarHBondContact OH-OD1 3.22Å; E1151-D1153 VanDerWaalsContact C-N 3.34Å; E1151-D1153 PolarHBondContact O-N 2.67Å; D1153-W1155 PolarHBondContact O-N 3.47Å; D1153-W1155 VanDerWaalsContact O-N 3.15Å; D1153-W1155 PolarHBondContact OD1-N 2.65Å; D1153-E1156 PolarHBondContact O-N 3.18Å; D1153-K1228 IonicContact OD1-NZ 2.7Å; D1153-K1228 PolarHBondContact OD1-NZ 2.95Å; D1153-K1228 IonicContact OD2-NZ 3.37Å; D1153-K1228 PolarHBondContact OD2-NZ 3.09Å | ||
| 1154 | D | 80.9 | Confident | 63.1 | Low | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -3.1 | -177.5 | 64 | -6.8 | 0 | 0 | 0 | 114.6 | T1189 P1190 | D1154-T1189 WeakPolarHBondContact O-CA 3.4Å; D1154-T1189 VanDerWaalsContact O-CB 3.29Å; D1154-T1189 WeakPolarHBondContact O-CB 3.48Å; D1154-T1189 VanDerWaalsContact O-CG2 3.3Å; D1154-T1189 WeakPolarHBondContact O-CG2 3.32Å; D1154-P1190 HydrophobicContact CB-CG 4.32Å; D1154-P1190 VanDerWaalsContact O-CD 3.27Å; D1154-P1190 WeakPolarHBondContact O-CD 3.22Å; D1154-P1190 WeakPolarHBondContact OD2-CG 3.03Å |
| 1155 | W | 84.5 | Confident | 64.5 | Low | 38 Ų | 38 | 62.9 Ų | 62.9 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7 | 170.7 | -66.2 | 84.2 | 0 | 0 | 0 | 113.8 | D1153 P1190 A1191 K1228 L1238 G1240 L1241 | D1153-W1155 PolarHBondContact O-N 3.47Å; D1153-W1155 VanDerWaalsContact O-N 3.15Å; D1153-W1155 PolarHBondContact OD1-N 2.65Å; W1155-P1190 HydrophobicContact CZ2-CB 4.13Å; W1155-P1190 HydrophobicContact CZ2-CG 4.42Å; W1155-A1191 HydrophobicContact CZ3-CB 4.03Å; W1155-K1228 HydrophobicContact CD2-CG 4.22Å; W1155-K1228 HydrophobicContact CG-CD 4.17Å; W1155-K1228 HydrophobicContact CG-CG 4.22Å; W1155-L1238 HydrophobicContact CD2-CD2 4.2Å; W1155-L1238 HydrophobicContact CE3-CB 4.44Å; W1155-L1238 HydrophobicContact CE3-CD2 3.7Å; W1155-L1238 HydrophobicContact CE3-CG 3.97Å; W1155-L1238 HydrophobicContact CZ3-CB 4.09Å; W1155-L1238 HydrophobicContact CZ3-CD2 4.08Å; W1155-L1238 HydrophobicContact CZ3-CG 4.13Å; W1155-L1238 WeakPolarHBondContact CZ3-O 3.33Å; W1155-G1240 CarbonylContact O-C 3.59Å; W1155-G1240 WeakPolarHBondContact O-CA 3.02Å; W1155-L1241 PolarHBondContact O-N 3.31Å |
| 1156 | E | 83.8 | Confident | 65.9 | Low | 33 Ų | 33 | 64.9 Ų | 64.9 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 129.5 | 177.3 | -178.3 | 76.2 | -170.3 | 0 | 0 | 112.3 | V1152 D1153 L1241 T1243 K1244 | V1152-E1156 HydrophobicContact CG1-CB 3.66Å; V1152-E1156 HydrophobicContact CG1-CG 3.7Å; D1153-E1156 PolarHBondContact O-N 3.18Å; E1156-L1241 CarbonylContact C-O 3.52Å; E1156-L1241 WeakPolarHBondContact CA-O 3.37Å; E1156-T1243 VanDerWaalsContact CD-OG1 3.29Å; E1156-T1243 PolarHBondContact OE1-N 2.82Å; E1156-T1243 PolarHBondContact OE1-OG1 2.84Å; E1156-T1243 WeakPolarHBondContact OE2-CB 3Å; E1156-T1243 PolarHBondContact OE2-N 3.36Å; E1156-T1243 PolarHBondContact OE2-OG1 3.31Å; E1156-K1244 PolarHBondContact OE1-N 3.5Å |
| 1157 | I | 85 | Confident | 67.7 | Low | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | trans | -111.5 | 135.6 | 174.2 | -60.9 | 176.5 | 0 | 0 | 0 | 108.2 | D1161 V1162 V1184 L1187 T1189 L1241 V1242 I1361 | I1157-D1161 HydrophobicContact CG2-CB 3.9Å; I1157-V1162 HydrophobicContact CG2-CG2 3.55Å; I1157-V1184 HydrophobicContact CD1-CG2 4.38Å; I1157-L1187 HydrophobicContact CD1-CD1 3.96Å; I1157-T1189 HydrophobicContact CD1-CG2 4.09Å; I1157-T1189 HydrophobicContact CG1-CG2 3.55Å; I1157-L1241 PolarHBondContact N-O 2.8Å; I1157-V1242 HydrophobicContact CB-CG2 4.42Å; I1157-V1242 WeakPolarHBondContact O-CG2 3.43Å; I1157-I1361 HydrophobicContact CD1-CB 4.46Å; I1157-I1361 HydrophobicContact CD1-CG1 4.41Å | ||
| 1158 | T | 81.3 | Confident | 69 | Low | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.282 | 33% | 0.333 | S | S | . | . | trans | -75.9 | 141.8 | 177.7 | 87 | 0 | 0 | 0 | 0 | 111.1 | D1160 D1161 K1246 | T1158-D1160 PolarHBondContact O-N 2.92Å; T1158-D1161 WeakPolarHBondContact O-CB 3.47Å; T1158-D1161 PolarHBondContact O-N 2.84Å; T1158-D1161 PolarHBondContact OG1-OD2 2.81Å; T1158-K1246 PolarHBondContact OG1-NZ 3.41Å | ||
| 1159 | K | 78.7 | Confident | 70.6 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58.5 | -18.9 | 179.7 | -160.7 | 166.1 | -177.9 | 165.5 | 0 | 114.2 | D1161 V1242 P1355 | K1159-D1161 VanDerWaalsContact C-N 3.35Å; K1159-V1242 HydrophobicContact CB-CG1 3.88Å; K1159-V1242 HydrophobicContact CG-CG1 4.37Å; K1159-P1355 PolarHBondContact NZ-O 3.33Å |
| 1160 | D | 79.7 | Confident | 72 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -72.6 | -25.1 | 172.1 | -64.7 | -55.7 | 0 | 0 | 0 | 112.7 | T1158 K1185 K1246 K1248 | T1158-D1160 PolarHBondContact O-N 2.92Å; D1160-K1185 PolarHBondContact O-NZ 2.88Å; D1160-K1246 WeakPolarHBondContact OD2-CD 3.22Å; D1160-K1246 WeakPolarHBondContact OD2-CE 3.29Å; D1160-K1246 IonicContact OD2-NZ 2.72Å; D1160-K1246 PolarHBondContact OD2-NZ 3Å; D1160-K1248 IonicContact OD1-NZ 2.71Å; D1160-K1248 PolarHBondContact OD1-NZ 3.48Å; D1160-K1248 IonicContact OD2-NZ 3.19Å |
| 1161 | D | 83.6 | Confident | 73.2 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -84.5 | -6.6 | -178.1 | -65.8 | -59.7 | 0 | 0 | 0 | 113.4 | I1157 T1158 K1159 V1184 K1185 K1188 | I1157-D1161 HydrophobicContact CG2-CB 3.9Å; T1158-D1161 WeakPolarHBondContact O-CB 3.47Å; T1158-D1161 PolarHBondContact O-N 2.84Å; T1158-D1161 PolarHBondContact OG1-OD2 2.81Å; K1159-D1161 VanDerWaalsContact C-N 3.35Å; D1161-V1184 WeakPolarHBondContact O-CA 2.99Å; D1161-K1185 PolarHBondContact O-N 2.98Å; D1161-K1188 IonicContact OD1-NZ 2.71Å; D1161-K1188 PolarHBondContact OD1-NZ 3.01Å; D1161-K1188 IonicContact OD2-NZ 3.48Å; D1161-K1188 PolarHBondContact OD2-NZ 3.19Å |
| 1162 | V | 80.6 | Confident | 73.9 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 108 | -175 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | I1157 V1183 V1184 I1205 V1242 I1361 | I1157-V1162 HydrophobicContact CG2-CG2 3.55Å; V1162-V1183 WeakPolarHBondContact CA-O 3.23Å; V1162-V1184 HydrophobicContact CG2-CG2 4.41Å; V1162-I1205 HydrophobicContact CG1-CD1 3.55Å; V1162-V1242 HydrophobicContact CG2-CG2 4.23Å; V1162-I1361 HydrophobicContact CG1-CD1 4.17Å; V1162-I1361 HydrophobicContact CG2-CD1 4.46Å |
| 1163 | D | 79.8 | Confident | 74.2 | Confident | 78 Ų | 78 | 69 Ų | 69 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.2 | 171.6 | -75.4 | -16.7 | 0 | 0 | 0 | 110.2 | L1165 G1182 V1183 K1185 | D1163-L1165 PolarHBondContact O-N 3.13Å; D1163-G1182 CarbonylContact O-C 3.41Å; D1163-G1182 WeakPolarHBondContact O-CA 3.37Å; D1163-V1183 PolarHBondContact N-O 3.36Å; D1163-V1183 PolarHBondContact O-N 3.43Å; D1163-K1185 VanDerWaalsContact CG-NZ 3.32Å; D1163-K1185 WeakPolarHBondContact OD1-CE 3.11Å; D1163-K1185 IonicContact OD1-NZ 3.3Å; D1163-K1185 PolarHBondContact OD1-NZ 2.95Å; D1163-K1185 WeakPolarHBondContact OD2-CE 3.09Å; D1163-K1185 IonicContact OD2-NZ 3.15Å; D1163-K1185 PolarHBondContact OD2-NZ 3.37Å |
| 1164 | V | 67.5 | Low | 73.6 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | trans | -84.3 | 102.5 | 173.9 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | H1166 W1167 I1205 | V1164-H1166 VanDerWaalsContact C-N 3.28Å; V1164-H1166 PolarHBondContact O-N 3.17Å; V1164-H1166 VanDerWaalsContact O-N 3.17Å; V1164-W1167 HydrophobicContact CB-CD2 4.06Å; V1164-W1167 HydrophobicContact CB-CG 4.49Å; V1164-W1167 HydrophobicContact CB-CH2 4.42Å; V1164-W1167 HydrophobicContact CB-CZ2 3.86Å; V1164-W1167 HydrophobicContact CG1-CD2 3.73Å; V1164-W1167 HydrophobicContact CG1-CE3 3.92Å; V1164-W1167 HydrophobicContact CG1-CG 4.21Å; V1164-W1167 HydrophobicContact CG1-CH2 4.34Å; V1164-W1167 HydrophobicContact CG1-CZ2 4.17Å; V1164-W1167 HydrophobicContact CG1-CZ3 4.2Å; V1164-W1167 HydrophobicContact CG2-CD2 4.45Å; V1164-W1167 HydrophobicContact CG2-CH2 3.79Å; V1164-W1167 HydrophobicContact CG2-CZ2 3.36Å; V1164-W1167 HydrophobicContact CG2-CZ3 4.46Å; V1164-I1205 HydrophobicContact CB-CD1 4.45Å; V1164-I1205 HydrophobicContact CG1-CD1 4.44Å; V1164-I1205 HydrophobicContact CG2-CD1 3.64Å | ||
| 1165 | L | 62.2 | Low | 72.3 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -51.6 | -45 | -169.1 | -71.3 | 174.9 | 0 | 0 | 0 | 112.4 | D1163 K1181 V1183 | D1163-L1165 PolarHBondContact O-N 3.13Å; L1165-K1181 HydrophobicContact CD1-CD 4.45Å; L1165-K1181 HydrophobicContact CD1-CG 4.3Å; L1165-K1181 PolarHBondContact N-O 2.89Å; L1165-V1183 HydrophobicContact CD1-CG2 3.88Å; L1165-V1183 HydrophobicContact CD2-CG2 4.05Å; L1165-V1183 HydrophobicContact CG-CG2 3.98Å |
| 1166 | H | 60 | Low | 71 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | trans | -149.4 | 108.3 | 169.8 | -88.8 | -4.1 | 0 | 0 | 0 | 112.1 | V1164 K1168 Y1169 | V1164-H1166 VanDerWaalsContact C-N 3.28Å; V1164-H1166 PolarHBondContact O-N 3.17Å; V1164-H1166 VanDerWaalsContact O-N 3.17Å; H1166-K1168 PolarHBondContact O-N 2.86Å; H1166-K1168 VanDerWaalsContact O-N 3.15Å; H1166-Y1169 HydrophobicContact CB-CD2 4.08Å; H1166-Y1169 AromaticContact CD2-CD2 3.7Å; H1166-Y1169 AromaticContact CD2-CE2 3.87Å; H1166-Y1169 PolarHBondContact O-N 3.38Å | ||
| 1167 | W | 66.3 | Low | 70.3 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.7 | 164.5 | -68.4 | 113.5 | 0 | 0 | 0 | 114 | V1164 Y1180 T1207 V1353 L1359 | V1164-W1167 HydrophobicContact CB-CD2 4.06Å; V1164-W1167 HydrophobicContact CB-CG 4.49Å; V1164-W1167 HydrophobicContact CB-CH2 4.42Å; V1164-W1167 HydrophobicContact CB-CZ2 3.86Å; V1164-W1167 HydrophobicContact CG1-CD2 3.73Å; V1164-W1167 HydrophobicContact CG1-CE3 3.92Å; V1164-W1167 HydrophobicContact CG1-CG 4.21Å; V1164-W1167 HydrophobicContact CG1-CH2 4.34Å; V1164-W1167 HydrophobicContact CG1-CZ2 4.17Å; V1164-W1167 HydrophobicContact CG1-CZ3 4.2Å; V1164-W1167 HydrophobicContact CG2-CD2 4.45Å; V1164-W1167 HydrophobicContact CG2-CH2 3.79Å; V1164-W1167 HydrophobicContact CG2-CZ2 3.36Å; V1164-W1167 HydrophobicContact CG2-CZ3 4.46Å; W1167-Y1180 HydrophobicContact CE3-CD1 4.25Å; W1167-Y1180 AromaticContact CE3-CD2 3.8Å; W1167-Y1180 HydrophobicContact CE3-CD2 3.8Å; W1167-Y1180 HydrophobicContact CE3-CE1 4.41Å; W1167-Y1180 AromaticContact CE3-CE2 3.97Å; W1167-Y1180 HydrophobicContact CE3-CE2 3.97Å; W1167-Y1180 AromaticContact CE3-CG 3.95Å; W1167-Y1180 HydrophobicContact CE3-CG 3.95Å; W1167-Y1180 AromaticContact CZ3-CD2 3.7Å; W1167-Y1180 HydrophobicContact CZ3-CD2 3.7Å; W1167-Y1180 AromaticContact CZ3-CE2 3.99Å; W1167-Y1180 HydrophobicContact CZ3-CE2 3.99Å; W1167-Y1180 HydrophobicContact CZ3-CG 4.19Å; W1167-Y1180 WeakPolarHBondContact O-CE1 3.35Å; W1167-T1207 HydrophobicContact CH2-CG2 4.33Å; W1167-T1207 HydrophobicContact CZ3-CG2 4Å; W1167-V1353 HydrophobicContact CE3-CB 4.4Å; W1167-V1353 HydrophobicContact CE3-CG2 3.82Å; W1167-V1353 HydrophobicContact CZ3-CB 4.28Å; W1167-V1353 HydrophobicContact CZ3-CG1 4.14Å; W1167-V1353 HydrophobicContact CZ3-CG2 3.9Å; W1167-L1359 HydrophobicContact CH2-CD2 4.31Å |
| 1168 | K | 55.7 | Low | 69.9 | Low | 107 Ų | 107 | 66.2 Ų | 66.2 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -24.6 | -178 | -174.9 | 167.6 | -178.7 | -177.1 | 0 | 113.6 | H1166 M1350 | H1166-K1168 PolarHBondContact O-N 2.86Å; H1166-K1168 VanDerWaalsContact O-N 3.15Å; K1168-M1350 HydrophobicContact CB-CE 4.33Å; K1168-M1350 HydrophobicContact CD-CE 3.92Å; K1168-M1350 HydrophobicContact CG-CE 3.67Å |
| 1169 | Y | 66 | Low | 70 | Confident | 137 Ų | 137 | 65.1 Ų | 65.1 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -126.9 | 98 | -171.4 | -61.4 | -77.9 | 0 | 0 | 0 | 110.7 | H1166 | H1166-Y1169 HydrophobicContact CB-CD2 4.08Å; H1166-Y1169 AromaticContact CD2-CD2 3.7Å; H1166-Y1169 AromaticContact CD2-CE2 3.87Å; H1166-Y1169 PolarHBondContact O-N 3.38Å |
| 1170 | P | 72.4 | Confident | 70.2 | Confident | 43 Ų | 43 | 62 Ų | 62 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137.4 | 173.3 | 31.1 | -34.8 | 0 | 0 | 0 | 110.5 | T1178 V1179 Y1180 | P1170-T1178 HydrophobicContact CB-CG2 3.3Å; P1170-T1178 HydrophobicContact CG-CG2 4.27Å; P1170-V1179 CarbonylContact C-O 3.57Å; P1170-V1179 VanDerWaalsContact CA-O 3.32Å; P1170-V1179 WeakPolarHBondContact CA-O 3.44Å; P1170-Y1180 HydrophobicContact CB-CD1 4.23Å; P1170-Y1180 HydrophobicContact CB-CE1 3.88Å |
| 1171 | I | 75.8 | Confident | 70.4 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -8.2 | 176.1 | 61.4 | 172.3 | 0 | 0 | 0 | 112.8 | V1179 K1181 A1204 L1364 | I1171-V1179 HydrophobicContact CD1-CG1 4.01Å; I1171-V1179 HydrophobicContact CG1-CB 4.15Å; I1171-V1179 HydrophobicContact CG1-CG1 3.82Å; I1171-V1179 WeakPolarHBondContact CG1-O 3.5Å; I1171-V1179 PolarHBondContact N-O 3.34Å; I1171-K1181 HydrophobicContact CD1-CB 4.27Å; I1171-K1181 HydrophobicContact CG2-CB 4.02Å; I1171-A1204 HydrophobicContact CD1-CB 3.99Å; I1171-L1364 HydrophobicContact CD1-CD1 3.56Å |
| 1172 | G | 70.8 | Confident | 70.6 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 162.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1179 | G1172-V1179 PolarHBondContact N-O 3.39Å; G1172-V1179 PolarHBondContact O-N 2.84Å |
| 1173 | R | 70 | Confident | 70.9 | Confident | 168 Ų | 168 | 63.2 Ų | 63.2 | 63% | 0.634 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.4 | 172.4 | -71.2 | 177 | 173.9 | 166.4 | -5.3 | 108.4 | G1177 T1178 N1351 | R1173-G1177 WeakPolarHBondContact CA-O 3.43Å; R1173-T1178 HydrophobicContact CG-CG2 4.13Å; R1173-N1351 PolarHBondContact NH2-OD1 3.02Å |
| 1174 | G | 60.7 | Low | 71.3 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | -175.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1176 G1177 | G1174-F1176 VanDerWaalsContact C-N 3.26Å; G1174-F1176 PolarHBondContact O-N 3.28Å; G1174-F1176 VanDerWaalsContact O-N 3.12Å; G1174-G1177 PolarHBondContact N-O 2.81Å; G1174-G1177 PolarHBondContact O-N 2.59Å; G1174-G1177 VanDerWaalsContact O-O 3.11Å |
| 1175 | S | 53.8 | Low | 72.1 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.7 | -170.1 | -58.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1176 | F | 57.2 | Low | 73.2 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.4 | -177.3 | -58.2 | -78.1 | 0 | 0 | 0 | 114.4 | G1174 I1208 S1209 D1219 F1220 | G1174-F1176 VanDerWaalsContact C-N 3.26Å; G1174-F1176 PolarHBondContact O-N 3.28Å; G1174-F1176 VanDerWaalsContact O-N 3.12Å; F1176-I1208 WeakPolarHBondContact O-CA 3.11Å; F1176-I1208 WeakPolarHBondContact O-CG1 3.07Å; F1176-S1209 PolarHBondContact O-N 2.71Å; F1176-D1219 HydrophobicContact CD1-CB 4.36Å; F1176-D1219 HydrophobicContact CE1-CB 3.55Å; F1176-D1219 HydrophobicContact CZ-CB 4.11Å; F1176-F1220 HydrophobicContact CB-CD2 4.1Å |
| 1177 | G | 69.4 | Low | 74.4 | Confident | 9 Ų | 9 | 56 Ų | 56 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | -142.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1173 G1174 T1207 | R1173-G1177 WeakPolarHBondContact CA-O 3.43Å; G1174-G1177 PolarHBondContact N-O 2.81Å; G1174-G1177 PolarHBondContact O-N 2.59Å; G1174-G1177 VanDerWaalsContact O-O 3.11Å; G1177-T1207 WeakPolarHBondContact CA-O 3.15Å |
| 1178 | T | 77.6 | Confident | 75.2 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.5 | -165.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | P1170 R1173 Y1180 T1207 | P1170-T1178 HydrophobicContact CB-CG2 3.3Å; P1170-T1178 HydrophobicContact CG-CG2 4.27Å; R1173-T1178 HydrophobicContact CG-CG2 4.13Å; T1178-Y1180 HydrophobicContact CG2-CD2 4.34Å; T1178-Y1180 HydrophobicContact CG2-CE1 4.13Å; T1178-Y1180 HydrophobicContact CG2-CE2 3.62Å; T1178-Y1180 VanDerWaalsContact CG2-CZ 3.49Å; T1178-Y1180 WeakPolarHBondContact CG2-OH 3.08Å; T1178-T1207 PolarHBondContact N-O 3.18Å; T1178-T1207 PolarHBondContact O-N 2.76Å; T1178-T1207 PolarHBondContact O-OG1 3.21Å |
| 1179 | V | 81.7 | Confident | 76.7 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.5 | 178.3 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | P1170 I1171 G1172 A1204 I1205 K1206 | P1170-V1179 CarbonylContact C-O 3.57Å; P1170-V1179 VanDerWaalsContact CA-O 3.32Å; P1170-V1179 WeakPolarHBondContact CA-O 3.44Å; I1171-V1179 HydrophobicContact CD1-CG1 4.01Å; I1171-V1179 HydrophobicContact CG1-CB 4.15Å; I1171-V1179 HydrophobicContact CG1-CG1 3.82Å; I1171-V1179 WeakPolarHBondContact CG1-O 3.5Å; I1171-V1179 PolarHBondContact N-O 3.34Å; G1172-V1179 PolarHBondContact N-O 3.39Å; G1172-V1179 PolarHBondContact O-N 2.84Å; V1179-A1204 HydrophobicContact CG1-CB 3.91Å; V1179-I1205 CarbonylContact C-O 3.49Å; V1179-I1205 WeakPolarHBondContact CA-O 3.32Å; V1179-K1206 HydrophobicContact CG2-CB 4.19Å; V1179-K1206 HydrophobicContact CG2-CG 4.06Å |
| 1180 | Y | 84.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 160.7 | 176.8 | -61.2 | -85.2 | 0 | 0 | 0 | 111.6 | W1167 P1170 T1178 A1204 I1205 T1207 V1353 | W1167-Y1180 HydrophobicContact CE3-CD1 4.25Å; W1167-Y1180 AromaticContact CE3-CD2 3.8Å; W1167-Y1180 HydrophobicContact CE3-CD2 3.8Å; W1167-Y1180 HydrophobicContact CE3-CE1 4.41Å; W1167-Y1180 AromaticContact CE3-CE2 3.97Å; W1167-Y1180 HydrophobicContact CE3-CE2 3.97Å; W1167-Y1180 AromaticContact CE3-CG 3.95Å; W1167-Y1180 HydrophobicContact CE3-CG 3.95Å; W1167-Y1180 AromaticContact CZ3-CD2 3.7Å; W1167-Y1180 HydrophobicContact CZ3-CD2 3.7Å; W1167-Y1180 AromaticContact CZ3-CE2 3.99Å; W1167-Y1180 HydrophobicContact CZ3-CE2 3.99Å; W1167-Y1180 HydrophobicContact CZ3-CG 4.19Å; W1167-Y1180 WeakPolarHBondContact O-CE1 3.35Å; P1170-Y1180 HydrophobicContact CB-CD1 4.23Å; P1170-Y1180 HydrophobicContact CB-CE1 3.88Å; T1178-Y1180 HydrophobicContact CG2-CD2 4.34Å; T1178-Y1180 HydrophobicContact CG2-CE1 4.13Å; T1178-Y1180 HydrophobicContact CG2-CE2 3.62Å; T1178-Y1180 VanDerWaalsContact CG2-CZ 3.49Å; T1178-Y1180 WeakPolarHBondContact CG2-OH 3.08Å; Y1180-A1204 CarbonylContact O-C 3.57Å; Y1180-A1204 WeakPolarHBondContact O-CA 3.4Å; Y1180-I1205 PolarHBondContact N-O 3.18Å; Y1180-I1205 PolarHBondContact O-N 3.47Å; Y1180-T1207 HydrophobicContact CD2-CG2 4.12Å; Y1180-T1207 HydrophobicContact CE2-CG2 4.38Å; Y1180-V1353 HydrophobicContact CE2-CG2 3.52Å; Y1180-V1353 VanDerWaalsContact OH-CG2 3.29Å; Y1180-V1353 WeakPolarHBondContact OH-CG2 3.26Å |
| 1181 | K | 84.2 | Confident | 77.9 | Confident | 94 Ų | 94 | 44.3 Ų | 44.3 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.4 | 171.4 | -175.1 | 177.8 | 172.8 | 176.5 | 0 | 110.4 | L1165 I1171 L1364 | L1165-K1181 HydrophobicContact CD1-CD 4.45Å; L1165-K1181 HydrophobicContact CD1-CG 4.3Å; L1165-K1181 PolarHBondContact N-O 2.89Å; I1171-K1181 HydrophobicContact CD1-CB 4.27Å; I1171-K1181 HydrophobicContact CG2-CB 4.02Å; K1181-L1364 HydrophobicContact CD-CD2 3.92Å; K1181-L1364 HydrophobicContact CG-CD1 4.19Å; K1181-L1364 HydrophobicContact CG-CD2 3.87Å |
| 1182 | G | 86.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -169.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1163 V1203 | D1163-G1182 CarbonylContact O-C 3.41Å; D1163-G1182 WeakPolarHBondContact O-CA 3.37Å; G1182-V1203 PolarHBondContact N-O 2.94Å; G1182-V1203 PolarHBondContact O-N 2.83Å |
| 1183 | V | 87.7 | Confident | 78.6 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.5 | 178 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | V1162 D1163 L1165 N1200 I1201 | V1162-V1183 WeakPolarHBondContact CA-O 3.23Å; D1163-V1183 PolarHBondContact N-O 3.36Å; D1163-V1183 PolarHBondContact O-N 3.43Å; L1165-V1183 HydrophobicContact CD1-CG2 3.88Å; L1165-V1183 HydrophobicContact CD2-CG2 4.05Å; L1165-V1183 HydrophobicContact CG-CG2 3.98Å; V1183-N1200 HydrophobicContact CG1-CB 4.18Å; V1183-I1201 CarbonylContact C-O 3.48Å; V1183-I1201 VanDerWaalsContact CA-O 3.29Å; V1183-I1201 WeakPolarHBondContact CA-O 3.4Å |
| 1184 | V | 87.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.8 | 166.6 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | I1157 D1161 V1162 Q1186 L1187 N1200 I1201 V1203 I1361 | I1157-V1184 HydrophobicContact CD1-CG2 4.38Å; D1161-V1184 WeakPolarHBondContact O-CA 2.99Å; V1162-V1184 HydrophobicContact CG2-CG2 4.41Å; V1184-Q1186 PolarHBondContact O-N 3.46Å; V1184-L1187 HydrophobicContact CG1-CB 4.26Å; V1184-L1187 HydrophobicContact CG1-CD1 4.21Å; V1184-N1200 CarbonylContact O-C 3.56Å; V1184-N1200 VanDerWaalsContact O-CA 3.24Å; V1184-N1200 WeakPolarHBondContact O-CA 3.36Å; V1184-N1200 PolarHBondContact O-N 3.03Å; V1184-N1200 VanDerWaalsContact O-N 3.16Å; V1184-I1201 PolarHBondContact N-O 3.47Å; V1184-I1201 PolarHBondContact O-N 3.17Å; V1184-V1203 HydrophobicContact CB-CG1 4.37Å; V1184-V1203 HydrophobicContact CG2-CB 4.49Å; V1184-V1203 HydrophobicContact CG2-CG1 3.69Å; V1184-V1203 HydrophobicContact CG2-CG2 4.06Å; V1184-I1361 HydrophobicContact CG2-CG2 3.84Å |
| 1185 | K | 85.6 | Confident | 79.4 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | -45.3 | -177.2 | -68.9 | 169.7 | -175.2 | 150.6 | 0 | 112.2 | D1160 D1161 D1163 R1199 N1200 | D1160-K1185 PolarHBondContact O-NZ 2.88Å; D1161-K1185 PolarHBondContact O-N 2.98Å; D1163-K1185 VanDerWaalsContact CG-NZ 3.32Å; D1163-K1185 WeakPolarHBondContact OD1-CE 3.11Å; D1163-K1185 IonicContact OD1-NZ 3.3Å; D1163-K1185 PolarHBondContact OD1-NZ 2.95Å; D1163-K1185 WeakPolarHBondContact OD2-CE 3.09Å; D1163-K1185 IonicContact OD2-NZ 3.15Å; D1163-K1185 PolarHBondContact OD2-NZ 3.37Å; K1185-R1199 CarbonylContact O-C 3.59Å; K1185-R1199 VanDerWaalsContact O-CA 3.31Å; K1185-R1199 WeakPolarHBondContact O-CA 3.37Å; K1185-N1200 PolarHBondContact O-N 3.5Å |
| 1186 | Q | 85.2 | Confident | 80.4 | Confident | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 118 | 177.9 | -174.4 | -177.9 | 16.8 | 0 | 0 | 109 | V1184 K1188 P1198 | V1184-Q1186 PolarHBondContact O-N 3.46Å; Q1186-K1188 HydrophobicContact CG-CG 4.29Å; Q1186-K1188 PolarHBondContact O-N 2.96Å; Q1186-P1198 WeakPolarHBondContact CA-O 3.36Å |
| 1187 | L | 85 | Confident | 81.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -83.9 | 113.4 | 179.5 | -171.9 | 65.2 | 0 | 0 | 0 | 109.3 | I1157 V1184 T1189 A1191 Y1195 P1198 I1201 L1239 | I1157-L1187 HydrophobicContact CD1-CD1 3.96Å; V1184-L1187 HydrophobicContact CG1-CB 4.26Å; V1184-L1187 HydrophobicContact CG1-CD1 4.21Å; L1187-T1189 VanDerWaalsContact CD1-OG1 3.31Å; L1187-T1189 WeakPolarHBondContact CD1-OG1 3.34Å; L1187-A1191 HydrophobicContact CD2-CB 3.97Å; L1187-Y1195 HydrophobicContact CD2-CD2 3.99Å; L1187-Y1195 HydrophobicContact CD2-CE2 4.14Å; L1187-P1198 HydrophobicContact CB-CB 4.14Å; L1187-P1198 PolarHBondContact N-O 2.9Å; L1187-I1201 HydrophobicContact CB-CD1 3.64Å; L1187-I1201 HydrophobicContact CD2-CD1 3.53Å; L1187-I1201 HydrophobicContact CG-CD1 4.19Å; L1187-L1239 HydrophobicContact CD1-CB 4.2Å; L1187-L1239 WeakPolarHBondContact CD1-O 3.27Å; L1187-L1239 HydrophobicContact CD2-CD2 4.35Å | ||
| 1188 | K | 83.3 | Confident | 82.2 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | trans | -103.7 | -20 | -173.1 | -61.8 | 165.8 | -162.3 | 167 | 0 | 112.9 | D1161 Q1186 | D1161-K1188 IonicContact OD1-NZ 2.71Å; D1161-K1188 PolarHBondContact OD1-NZ 3.01Å; D1161-K1188 IonicContact OD2-NZ 3.48Å; D1161-K1188 PolarHBondContact OD2-NZ 3.19Å; Q1186-K1188 HydrophobicContact CG-CG 4.29Å; Q1186-K1188 PolarHBondContact O-N 2.96Å | ||
| 1189 | T | 86.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -68 | 169.5 | -179.2 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | D1154 I1157 L1187 A1191 K1192 L1239 | D1154-T1189 WeakPolarHBondContact O-CA 3.4Å; D1154-T1189 VanDerWaalsContact O-CB 3.29Å; D1154-T1189 WeakPolarHBondContact O-CB 3.48Å; D1154-T1189 VanDerWaalsContact O-CG2 3.3Å; D1154-T1189 WeakPolarHBondContact O-CG2 3.32Å; I1157-T1189 HydrophobicContact CD1-CG2 4.09Å; I1157-T1189 HydrophobicContact CG1-CG2 3.55Å; L1187-T1189 VanDerWaalsContact CD1-OG1 3.31Å; L1187-T1189 WeakPolarHBondContact CD1-OG1 3.34Å; T1189-A1191 PolarHBondContact O-N 2.89Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; T1189-K1192 VanDerWaalsContact O-CB 3.3Å; T1189-K1192 WeakPolarHBondContact O-CB 3.41Å; T1189-K1192 WeakPolarHBondContact O-CD 3.04Å; T1189-K1192 WeakPolarHBondContact O-CG 3.37Å; T1189-K1192 PolarHBondContact O-N 2.9Å; T1189-L1239 WeakPolarHBondContact CB-O 3.42Å; T1189-L1239 WeakPolarHBondContact CG2-O 3.39Å; T1189-L1239 PolarHBondContact OG1-O 2.9Å |
| 1190 | P | 81.7 | Confident | 82.7 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -50.5 | -33.1 | 174.3 | -32.7 | 38.8 | 0 | 0 | 0 | 114.3 | D1154 W1155 K1192 L1193 | D1154-P1190 HydrophobicContact CB-CG 4.32Å; D1154-P1190 VanDerWaalsContact O-CD 3.27Å; D1154-P1190 WeakPolarHBondContact O-CD 3.22Å; D1154-P1190 WeakPolarHBondContact OD2-CG 3.03Å; W1155-P1190 HydrophobicContact CZ2-CB 4.13Å; W1155-P1190 HydrophobicContact CZ2-CG 4.42Å; P1190-K1192 PolarHBondContact O-N 3.02Å; P1190-L1193 WeakPolarHBondContact O-CB 3.49Å; P1190-L1193 WeakPolarHBondContact O-CG 3.27Å; P1190-L1193 PolarHBondContact O-N 2.82Å |
| 1191 | A | 81.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.1 | -12.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1155 L1187 T1189 L1193 F1194 L1239 | W1155-A1191 HydrophobicContact CZ3-CB 4.03Å; L1187-A1191 HydrophobicContact CD2-CB 3.97Å; T1189-A1191 PolarHBondContact O-N 2.89Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; A1191-L1193 PolarHBondContact O-N 3.34Å; A1191-F1194 HydrophobicContact CB-CD2 3.98Å; A1191-F1194 HydrophobicContact CB-CE2 4.24Å; A1191-F1194 WeakPolarHBondContact O-CD2 3.18Å; A1191-F1194 PolarHBondContact O-N 2.91Å; A1191-F1194 VanDerWaalsContact O-N 3.11Å; A1191-L1239 HydrophobicContact CB-CD2 3.99Å |
| 1192 | K | 82.3 | Confident | 82.9 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -52.7 | -31.9 | 167.9 | 74.8 | -165.9 | 175.3 | -164 | 0 | 112.8 | T1189 P1190 F1194 Y1195 P1198 | T1189-K1192 VanDerWaalsContact O-CB 3.3Å; T1189-K1192 WeakPolarHBondContact O-CB 3.41Å; T1189-K1192 WeakPolarHBondContact O-CD 3.04Å; T1189-K1192 WeakPolarHBondContact O-CG 3.37Å; T1189-K1192 PolarHBondContact O-N 2.9Å; P1190-K1192 PolarHBondContact O-N 3.02Å; K1192-F1194 PolarHBondContact O-N 2.89Å; K1192-Y1195 PolarHBondContact O-N 3.26Å; K1192-Y1195 VanDerWaalsContact O-N 3.12Å; K1192-P1198 HydrophobicContact CB-CB 4.06Å |
| 1193 | L | 78.4 | Confident | 83 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 72% | 0.723 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.7 | -19.5 | 179.9 | -65.9 | 172.3 | 0 | 0 | 0 | 113.2 | P1190 A1191 | P1190-L1193 WeakPolarHBondContact O-CB 3.49Å; P1190-L1193 WeakPolarHBondContact O-CG 3.27Å; P1190-L1193 PolarHBondContact O-N 2.82Å; A1191-L1193 PolarHBondContact O-N 3.34Å |
| 1194 | F | 72.9 | Confident | 83.1 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -85.3 | -3.3 | 177.6 | -54.1 | -52.6 | 0 | 0 | 0 | 114.2 | A1191 K1192 R1237 | A1191-F1194 HydrophobicContact CB-CD2 3.98Å; A1191-F1194 HydrophobicContact CB-CE2 4.24Å; A1191-F1194 WeakPolarHBondContact O-CD2 3.18Å; A1191-F1194 PolarHBondContact O-N 2.91Å; A1191-F1194 VanDerWaalsContact O-N 3.11Å; K1192-F1194 PolarHBondContact O-N 2.89Å; F1194-R1237 HydrophobicContact CD2-CG 4.42Å; F1194-R1237 HydrophobicContact CE2-CG 4.22Å |
| 1195 | Y | 75.2 | Confident | 83.1 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | trans | -133.5 | 115.2 | -174.8 | -63.8 | -93.4 | 0 | 0 | 0 | 111.7 | L1187 K1192 N1197 I1201 L1239 | L1187-Y1195 HydrophobicContact CD2-CD2 3.99Å; L1187-Y1195 HydrophobicContact CD2-CE2 4.14Å; K1192-Y1195 PolarHBondContact O-N 3.26Å; K1192-Y1195 VanDerWaalsContact O-N 3.12Å; Y1195-N1197 PolarHBondContact O-N 3.4Å; Y1195-I1201 HydrophobicContact CD1-CD1 4.02Å; Y1195-I1201 HydrophobicContact CD1-CG1 4.43Å; Y1195-I1201 HydrophobicContact CD1-CG2 4.36Å; Y1195-I1201 HydrophobicContact CD2-CD1 3.81Å; Y1195-I1201 HydrophobicContact CE1-CD1 4.28Å; Y1195-I1201 HydrophobicContact CE1-CG2 3.75Å; Y1195-I1201 HydrophobicContact CE2-CD1 4.1Å; Y1195-I1201 HydrophobicContact CG-CD1 3.77Å; Y1195-L1239 HydrophobicContact CE2-CD2 3.76Å | ||
| 1196 | N | 74.7 | Confident | 83.2 | Confident | 168 Ų | 168 | 61.6 Ų | 61.6 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -56.2 | -23.4 | 177.2 | -64.7 | 3.9 | 0 | 0 | 0 | 113.6 | ||
| 1197 | N | 81.1 | Confident | 83 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -133.9 | 97.6 | 171 | -176.9 | -0.2 | 0 | 0 | 0 | 109.3 | Y1195 R1199 | Y1195-N1197 PolarHBondContact O-N 3.4Å; N1197-R1199 PolarHBondContact O-N 2.04Å |
| 1198 | P | 83 | Confident | 82.5 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | trans | -81.7 | 49.5 | -173.2 | 33 | -36.1 | 0 | 0 | 0 | 113 | Q1186 L1187 K1192 | Q1186-P1198 WeakPolarHBondContact CA-O 3.36Å; L1187-P1198 HydrophobicContact CB-CB 4.14Å; L1187-P1198 PolarHBondContact N-O 2.9Å; K1192-P1198 HydrophobicContact CB-CB 4.06Å | ||
| 1199 | R | 84.7 | Confident | 81.7 | Confident | 166 Ų | 166 | 54.8 Ų | 54.8 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146 | -179.6 | -64.6 | -177 | 179.3 | -173.3 | 1.7 | 111.6 | K1185 N1197 I1201 | K1185-R1199 CarbonylContact O-C 3.59Å; K1185-R1199 VanDerWaalsContact O-CA 3.31Å; K1185-R1199 WeakPolarHBondContact O-CA 3.37Å; N1197-R1199 PolarHBondContact O-N 2.04Å; R1199-I1201 PolarHBondContact O-N 3.34Å |
| 1200 | N | 85.6 | Confident | 80.5 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 41.6 | 178.6 | -63.6 | -20.7 | 0 | 0 | 0 | 114.3 | V1183 V1184 K1185 | V1183-N1200 HydrophobicContact CG1-CB 4.18Å; V1184-N1200 CarbonylContact O-C 3.56Å; V1184-N1200 VanDerWaalsContact O-CA 3.24Å; V1184-N1200 WeakPolarHBondContact O-CA 3.36Å; V1184-N1200 PolarHBondContact O-N 3.03Å; V1184-N1200 VanDerWaalsContact O-N 3.16Å; K1185-N1200 PolarHBondContact O-N 3.5Å |
| 1201 | I | 86.2 | Confident | 79.5 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.3 | -176.2 | -54.8 | 178.5 | 0 | 0 | 0 | 109.4 | V1183 V1184 L1187 Y1195 R1199 V1203 L1239 | V1183-I1201 CarbonylContact C-O 3.48Å; V1183-I1201 VanDerWaalsContact CA-O 3.29Å; V1183-I1201 WeakPolarHBondContact CA-O 3.4Å; V1184-I1201 PolarHBondContact N-O 3.47Å; V1184-I1201 PolarHBondContact O-N 3.17Å; L1187-I1201 HydrophobicContact CB-CD1 3.64Å; L1187-I1201 HydrophobicContact CD2-CD1 3.53Å; L1187-I1201 HydrophobicContact CG-CD1 4.19Å; Y1195-I1201 HydrophobicContact CD1-CD1 4.02Å; Y1195-I1201 HydrophobicContact CD1-CG1 4.43Å; Y1195-I1201 HydrophobicContact CD1-CG2 4.36Å; Y1195-I1201 HydrophobicContact CD2-CD1 3.81Å; Y1195-I1201 HydrophobicContact CE1-CD1 4.28Å; Y1195-I1201 HydrophobicContact CE1-CG2 3.75Å; Y1195-I1201 HydrophobicContact CE2-CD1 4.1Å; Y1195-I1201 HydrophobicContact CG-CD1 3.77Å; R1199-I1201 PolarHBondContact O-N 3.34Å; I1201-V1203 HydrophobicContact CG2-CG1 4.33Å; I1201-L1239 HydrophobicContact CG2-CD1 4.5Å |
| 1202 | P | 86 | Confident | 78.3 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.3 | 174.6 | 30.6 | -34.2 | 0 | 0 | 0 | 110.9 | L1364 | P1202-L1364 HydrophobicContact CB-CD2 3.93Å; P1202-L1364 WeakPolarHBondContact O-CB 3.42Å |
| 1203 | V | 89.6 | Confident | 77 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154 | -171.8 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | G1182 V1184 I1201 I1205 L1239 I1361 | G1182-V1203 PolarHBondContact N-O 2.94Å; G1182-V1203 PolarHBondContact O-N 2.83Å; V1184-V1203 HydrophobicContact CB-CG1 4.37Å; V1184-V1203 HydrophobicContact CG2-CB 4.49Å; V1184-V1203 HydrophobicContact CG2-CG1 3.69Å; V1184-V1203 HydrophobicContact CG2-CG2 4.06Å; I1201-V1203 HydrophobicContact CG2-CG1 4.33Å; V1203-I1205 HydrophobicContact CG2-CD1 4.01Å; V1203-I1205 HydrophobicContact CG2-CG1 3.85Å; V1203-L1239 HydrophobicContact CB-CD1 4.41Å; V1203-L1239 HydrophobicContact CG1-CD1 3.46Å; V1203-L1239 VanDerWaalsContact CG1-CD1 3.46Å; V1203-I1361 HydrophobicContact CB-CG2 3.75Å; V1203-I1361 HydrophobicContact CG1-CG2 3.84Å; V1203-I1361 HydrophobicContact CG2-CG2 3.81Å |
| 1204 | A | 88.6 | Confident | 75.7 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1171 V1179 Y1180 M1362 L1364 | I1171-A1204 HydrophobicContact CD1-CB 3.99Å; V1179-A1204 HydrophobicContact CG1-CB 3.91Å; Y1180-A1204 CarbonylContact O-C 3.57Å; Y1180-A1204 WeakPolarHBondContact O-CA 3.4Å; A1204-M1362 HydrophobicContact CB-CG 3.78Å; A1204-M1362 HydrophobicContact CB-SD 4.46Å; A1204-M1362 PolarHBondContact N-O 3.04Å; A1204-M1362 WeakPolarHBondContact O-CG 3.28Å; A1204-M1362 PolarHBondContact O-N 3.06Å; A1204-L1364 HydrophobicContact CB-CD1 4Å |
| 1205 | I | 88.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 99.6 | -170.8 | -58.1 | -180 | 0 | 0 | 0 | 107.7 | V1162 V1164 V1179 Y1180 V1203 T1207 L1359 V1360 I1361 | V1162-I1205 HydrophobicContact CG1-CD1 3.55Å; V1164-I1205 HydrophobicContact CB-CD1 4.45Å; V1164-I1205 HydrophobicContact CG1-CD1 4.44Å; V1164-I1205 HydrophobicContact CG2-CD1 3.64Å; V1179-I1205 CarbonylContact C-O 3.49Å; V1179-I1205 WeakPolarHBondContact CA-O 3.32Å; Y1180-I1205 PolarHBondContact N-O 3.18Å; Y1180-I1205 PolarHBondContact O-N 3.47Å; V1203-I1205 HydrophobicContact CG2-CD1 4.01Å; V1203-I1205 HydrophobicContact CG2-CG1 3.85Å; I1205-T1207 HydrophobicContact CG2-CG2 3.99Å; I1205-L1359 HydrophobicContact CG2-CB 4.1Å; I1205-L1359 HydrophobicContact CG2-CD1 4.44Å; I1205-L1359 HydrophobicContact CG2-CD2 4.36Å; I1205-V1360 WeakPolarHBondContact CA-O 3.46Å; I1205-I1361 HydrophobicContact CB-CD1 4.41Å; I1205-I1361 HydrophobicContact CD1-CD1 4.3Å; I1205-I1361 HydrophobicContact CG1-CD1 3.92Å; I1205-I1361 HydrophobicContact CG2-CD1 3.97Å |
| 1206 | K | 86.4 | Confident | 74.2 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.035 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.1 | 175.8 | -167.4 | 175.4 | -173.4 | -178.5 | 0 | 108.2 | V1179 F1220 E1223 V1360 M1362 D1419 | V1179-K1206 HydrophobicContact CG2-CB 4.19Å; V1179-K1206 HydrophobicContact CG2-CG 4.06Å; K1206-F1220 HydrophobicContact CG-CE2 4.16Å; K1206-F1220 WeakPolarHBondContact O-CZ 3.3Å; K1206-E1223 IonicContact NZ-OE1 2.77Å; K1206-E1223 PolarHBondContact NZ-OE1 2.94Å; K1206-E1223 IonicContact NZ-OE2 3.31Å; K1206-E1223 PolarHBondContact NZ-OE2 3.41Å; K1206-V1360 HydrophobicContact CB-CB 4.31Å; K1206-V1360 PolarHBondContact N-O 2.81Å; K1206-V1360 PolarHBondContact O-N 3.01Å; K1206-M1362 HydrophobicContact CB-CE 3.93Å; K1206-M1362 HydrophobicContact CD-CE 4.05Å; K1206-D1419 IonicContact NZ-OD1 3.04Å; K1206-D1419 PolarHBondContact NZ-OD1 3.12Å |
| 1207 | T | 82.2 | Confident | 73.8 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.3 | -177.4 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | W1167 G1177 T1178 Y1180 I1205 V1353 L1359 | W1167-T1207 HydrophobicContact CH2-CG2 4.33Å; W1167-T1207 HydrophobicContact CZ3-CG2 4Å; G1177-T1207 WeakPolarHBondContact CA-O 3.15Å; T1178-T1207 PolarHBondContact N-O 3.18Å; T1178-T1207 PolarHBondContact O-N 2.76Å; T1178-T1207 PolarHBondContact O-OG1 3.21Å; Y1180-T1207 HydrophobicContact CD2-CG2 4.12Å; Y1180-T1207 HydrophobicContact CE2-CG2 4.38Å; I1205-T1207 HydrophobicContact CG2-CG2 3.99Å; T1207-V1353 HydrophobicContact CG2-CG1 4.44Å; T1207-L1359 HydrophobicContact CG2-CD2 3.51Å |
| 1208 | I | 74.1 | Confident | 73.1 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 153.7 | -179.3 | -148.4 | 173.6 | 0 | 0 | 0 | 112.7 | F1176 S1212 D1216 H1217 F1220 | F1176-I1208 WeakPolarHBondContact O-CA 3.11Å; F1176-I1208 WeakPolarHBondContact O-CG1 3.07Å; I1208-S1212 VanDerWaalsContact CD1-CB 3.49Å; I1208-S1212 WeakPolarHBondContact CD1-OG 3.42Å; I1208-D1216 HydrophobicContact CD1-CB 4.31Å; I1208-H1217 HydrophobicContact CD1-CB 4.19Å; I1208-F1220 HydrophobicContact CB-CD2 4.03Å; I1208-F1220 HydrophobicContact CB-CE2 4.07Å; I1208-F1220 HydrophobicContact CB-CG 4.3Å; I1208-F1220 HydrophobicContact CB-CZ 4.38Å; I1208-F1220 HydrophobicContact CD1-CB 3.9Å; I1208-F1220 HydrophobicContact CD1-CD2 4.47Å; I1208-F1220 HydrophobicContact CD1-CG 4.13Å; I1208-F1220 HydrophobicContact CG1-CB 4.4Å; I1208-F1220 HydrophobicContact CG1-CD2 4.11Å; I1208-F1220 HydrophobicContact CG1-CG 4.27Å |
| 1209 | S | 67.4 | Low | 72.2 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | trans | -63.3 | 152.7 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | F1176 H1211 S1212 | F1176-S1209 PolarHBondContact O-N 2.71Å; S1209-H1211 PolarHBondContact O-N 2.73Å; S1209-H1211 PolarHBondContact OG-N 2.96Å; S1209-S1212 PolarHBondContact O-N 2.77Å; S1209-S1212 PolarHBondContact O-OG 3.41Å | ||
| 1210 | M | 60.3 | Low | 71.7 | Confident | 117 Ų | 117 | 56 Ų | 56 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6 | 175.4 | -143.8 | -175.7 | -173.7 | 0 | 0 | 113.7 | A1354 | M1210-A1354 HydrophobicContact CG-CB 4.11Š|
| 1211 | H | 60.9 | Low | 71.3 | Confident | 170 Ų | 170 | 52.3 Ų | 52.3 | 79% | 0.787 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | 18.8 | 179.5 | -54.2 | -54.4 | 0 | 0 | 0 | 112.8 | S1209 | S1209-H1211 PolarHBondContact O-N 2.73Å; S1209-H1211 PolarHBondContact OG-N 2.96Å |
| 1212 | S | 57.1 | Low | 70.4 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | trans | -68.4 | 138.6 | 178.3 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | I1208 S1209 H1217 | I1208-S1212 VanDerWaalsContact CD1-CB 3.49Å; I1208-S1212 WeakPolarHBondContact CD1-OG 3.42Å; S1209-S1212 PolarHBondContact O-N 2.77Å; S1209-S1212 PolarHBondContact O-OG 3.41Å; S1212-H1217 PolarHBondContact OG-CD2 3Å; S1212-H1217 PolarHBondContact OG-NE2 2.67Å; S1212-H1217 VanDerWaalsContact OG-NE2 3.15Å | ||
| 1213 | T | 53.6 | Low | 69.7 | Low | 72 Ų | 72 | 50.9 Ų | 50.9 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | trans | -76.1 | 168.3 | 170.6 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | F1215 D1216 H1217 | T1213-F1215 PolarHBondContact O-N 2.91Å; T1213-F1215 PolarHBondContact OG1-N 2.78Å; T1213-D1216 WeakPolarHBondContact CA-OD2 3.33Å; T1213-D1216 VanDerWaalsContact CB-OD2 3.29Å; T1213-D1216 WeakPolarHBondContact CB-OD2 3.01Å; T1213-D1216 WeakPolarHBondContact CG2-OD2 2.99Å; T1213-D1216 PolarHBondContact N-OD2 2.93Å; T1213-D1216 PolarHBondContact O-N 2.99Å; T1213-D1216 VanDerWaalsContact O-N 3.12Å; T1213-D1216 PolarHBondContact OG1-N 2.86Å; T1213-D1216 PolarHBondContact OG1-OD2 2.88Å; T1213-H1217 PolarHBondContact O-CD2 2.82Å; T1213-H1217 PolarHBondContact O-N 2.91Å | ||
| 1214 | L | 51.6 | Low | 69.1 | Low | 101 Ų | 101 | 50.9 Ų | 50.9 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -20.2 | 170.5 | -67.2 | 175.5 | 0 | 0 | 0 | 113.4 | F63 R1218 | F63-L1214 HydrophobicContact CD1-CD1 3.85Å; F63-L1214 HydrophobicContact CE1-CD1 3.3Å; F63-L1214 HydrophobicContact CZ-CD1 3.81Å; L1214-R1218 WeakPolarHBondContact O-CB 3.43Å; L1214-R1218 PolarHBondContact O-N 2.74Å; L1214-R1218 VanDerWaalsContact O-N 3.14Å |
| 1215 | F | 55.5 | Low | 68.4 | Low | 140 Ų | 140 | 52.6 Ų | 52.6 | 61% | 0.614 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.9 | -43.2 | 171.9 | -66.9 | -84.5 | 0 | 0 | 0 | 111.3 | T1213 H1217 R1218 D1219 | T1213-F1215 PolarHBondContact O-N 2.91Å; T1213-F1215 PolarHBondContact OG1-N 2.78Å; F1215-H1217 VanDerWaalsContact C-N 3.3Å; F1215-H1217 PolarHBondContact O-N 3.5Å; F1215-R1218 WeakPolarHBondContact O-CB 3.44Å; F1215-R1218 PolarHBondContact O-N 2.92Å; F1215-R1218 VanDerWaalsContact O-N 3.15Å; F1215-D1219 PolarHBondContact O-N 2.82Å |
| 1216 | D | 62 | Low | 67.4 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 174 | -55 | -65.3 | 0 | 0 | 0 | 111.2 | I1208 T1213 D1219 F1220 | I1208-D1216 HydrophobicContact CD1-CB 4.31Å; T1213-D1216 WeakPolarHBondContact CA-OD2 3.33Å; T1213-D1216 VanDerWaalsContact CB-OD2 3.29Å; T1213-D1216 WeakPolarHBondContact CB-OD2 3.01Å; T1213-D1216 WeakPolarHBondContact CG2-OD2 2.99Å; T1213-D1216 PolarHBondContact N-OD2 2.93Å; T1213-D1216 PolarHBondContact O-N 2.99Å; T1213-D1216 VanDerWaalsContact O-N 3.12Å; T1213-D1216 PolarHBondContact OG1-N 2.86Å; T1213-D1216 PolarHBondContact OG1-OD2 2.88Å; D1216-D1219 PolarHBondContact O-N 3.16Å; D1216-F1220 WeakPolarHBondContact O-CB 3.38Å; D1216-F1220 PolarHBondContact O-N 3.39Å |
| 1217 | H | 66.6 | Low | 66.9 | Low | 61 Ų | 61 | 54.1 Ų | 54.1 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 172.1 | -89.8 | -90.4 | 0 | 0 | 0 | 112.6 | I1208 S1212 T1213 F1215 I1221 | I1208-H1217 HydrophobicContact CD1-CB 4.19Å; S1212-H1217 PolarHBondContact OG-CD2 3Å; S1212-H1217 PolarHBondContact OG-NE2 2.67Å; S1212-H1217 VanDerWaalsContact OG-NE2 3.15Å; T1213-H1217 PolarHBondContact O-CD2 2.82Å; T1213-H1217 PolarHBondContact O-N 2.91Å; F1215-H1217 VanDerWaalsContact C-N 3.3Å; F1215-H1217 PolarHBondContact O-N 3.5Å; H1217-I1221 WeakPolarHBondContact O-CG1 3.39Å; H1217-I1221 PolarHBondContact O-N 2.85Å |
| 1218 | R | 64.8 | Low | 66.6 | Low | 125 Ų | 125 | 55.7 Ų | 55.7 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 176.1 | -172.6 | -164.3 | -58.3 | -170.7 | -0.1 | 110.8 | L1214 F1215 I1221 N1222 | L1214-R1218 WeakPolarHBondContact O-CB 3.43Å; L1214-R1218 PolarHBondContact O-N 2.74Å; L1214-R1218 VanDerWaalsContact O-N 3.14Å; F1215-R1218 WeakPolarHBondContact O-CB 3.44Å; F1215-R1218 PolarHBondContact O-N 2.92Å; F1215-R1218 VanDerWaalsContact O-N 3.15Å; R1218-I1221 PolarHBondContact O-N 2.87Å; R1218-N1222 WeakPolarHBondContact O-CB 3.43Å; R1218-N1222 PolarHBondContact O-N 2.75Å; R1218-N1222 PolarHBondContact O-ND2 3.38Å |
| 1219 | D | 64.7 | Low | 66.3 | Low | 35 Ų | 35 | 61.5 Ų | 61.5 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.9 | -35.1 | -176.8 | -76.1 | -15.8 | 0 | 0 | 0 | 112.6 | F1176 F1215 D1216 I1221 N1222 E1223 R1424 | F1176-D1219 HydrophobicContact CD1-CB 4.36Å; F1176-D1219 HydrophobicContact CE1-CB 3.55Å; F1176-D1219 HydrophobicContact CZ-CB 4.11Å; F1215-D1219 PolarHBondContact O-N 2.82Å; D1216-D1219 PolarHBondContact O-N 3.16Å; D1219-I1221 VanDerWaalsContact C-N 3.33Å; D1219-I1221 PolarHBondContact O-N 2.98Å; D1219-N1222 PolarHBondContact O-N 3.21Å; D1219-E1223 WeakPolarHBondContact O-CB 3.35Å; D1219-E1223 PolarHBondContact O-N 2.73Å; D1219-R1424 IonicContact OD1-CZ 2.66Å; D1219-R1424 IonicContact OD1-NH1 2.83Å; D1219-R1424 PolarHBondContact OD1-NH1 3.43Å; D1219-R1424 IonicContact OD1-NH2 3.54Å; D1219-R1424 PolarHBondContact OD1-NH2 2.74Å; D1219-R1424 VanDerWaalsContact OD1-NH2 3.08Å; D1219-R1424 IonicContact OD2-CZ 2.67Å; D1219-R1424 IonicContact OD2-NH1 2.69Å; D1219-R1424 IonicContact OD2-NH2 3.59Å; D1219-R1424 PolarHBondContact OD2-NH2 2.92Å |
| 1220 | F | 75 | Confident | 66.3 | Low | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 170.5 | 177.9 | -87.9 | 0 | 0 | 0 | 112.9 | F1176 K1206 I1208 D1216 P1358 V1360 | F1176-F1220 HydrophobicContact CB-CD2 4.1Å; K1206-F1220 HydrophobicContact CG-CE2 4.16Å; K1206-F1220 WeakPolarHBondContact O-CZ 3.3Å; I1208-F1220 HydrophobicContact CB-CD2 4.03Å; I1208-F1220 HydrophobicContact CB-CE2 4.07Å; I1208-F1220 HydrophobicContact CB-CG 4.3Å; I1208-F1220 HydrophobicContact CB-CZ 4.38Å; I1208-F1220 HydrophobicContact CD1-CB 3.9Å; I1208-F1220 HydrophobicContact CD1-CD2 4.47Å; I1208-F1220 HydrophobicContact CD1-CG 4.13Å; I1208-F1220 HydrophobicContact CG1-CB 4.4Å; I1208-F1220 HydrophobicContact CG1-CD2 4.11Å; I1208-F1220 HydrophobicContact CG1-CG 4.27Å; D1216-F1220 WeakPolarHBondContact O-CB 3.38Å; D1216-F1220 PolarHBondContact O-N 3.39Å; F1220-P1358 HydrophobicContact CD1-CG 4.07Å; F1220-P1358 HydrophobicContact CE1-CB 4.05Å; F1220-P1358 HydrophobicContact CE1-CG 3.76Å; F1220-P1358 WeakPolarHBondContact CE1-O 3.31Å; F1220-P1358 WeakPolarHBondContact CZ-O 3.47Å; F1220-V1360 HydrophobicContact CD1-CG2 4.31Å; F1220-V1360 HydrophobicContact CE1-CG2 3.7Å; F1220-V1360 HydrophobicContact CE2-CG2 4.37Å; F1220-V1360 HydrophobicContact CZ-CG2 3.75Å |
| 1221 | I | 76.3 | Confident | 66.5 | Low | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.4 | -42.3 | 173.9 | -69.9 | 176.5 | 0 | 0 | 0 | 110.9 | Y1150 H1217 R1218 D1219 E1223 A1224 C1225 | Y1150-I1221 HydrophobicContact CD2-CG2 4.14Å; H1217-I1221 WeakPolarHBondContact O-CG1 3.39Å; H1217-I1221 PolarHBondContact O-N 2.85Å; R1218-I1221 PolarHBondContact O-N 2.87Å; D1219-I1221 VanDerWaalsContact C-N 3.33Å; D1219-I1221 PolarHBondContact O-N 2.98Å; I1221-E1223 PolarHBondContact O-N 3.33Å; I1221-A1224 PolarHBondContact O-N 3.12Å; I1221-A1224 VanDerWaalsContact O-N 3.15Å; I1221-C1225 PolarHBondContact O-N 3.31Å; I1221-C1225 PolarHBondContact O-SG 2.83Å; I1221-C1225 VanDerWaalsContact O-SG 3.4Å |
| 1222 | N | 68.2 | Low | 66.7 | Low | 39 Ų | 39 | 51.4 Ų | 51.4 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 178 | -73.1 | -16.5 | 0 | 0 | 0 | 112 | R1218 D1219 A1224 C1225 F1226 | R1218-N1222 WeakPolarHBondContact O-CB 3.43Å; R1218-N1222 PolarHBondContact O-N 2.75Å; R1218-N1222 PolarHBondContact O-ND2 3.38Å; D1219-N1222 PolarHBondContact O-N 3.21Å; N1222-A1224 VanDerWaalsContact C-N 3.26Å; N1222-A1224 PolarHBondContact O-N 3.36Å; N1222-C1225 PolarHBondContact O-N 3.1Å; N1222-C1225 VanDerWaalsContact O-N 3.13Å; N1222-F1226 HydrophobicContact CB-CE2 4.35Å; N1222-F1226 WeakPolarHBondContact O-CD2 3.43Å; N1222-F1226 PolarHBondContact O-N 2.75Å |
| 1223 | E | 71.6 | Confident | 67.3 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.3 | -47.4 | 174 | -169.1 | -166.5 | 142.5 | 0 | 0 | 110.8 | K1206 D1219 I1221 F1226 M1227 F1420 | K1206-E1223 IonicContact NZ-OE1 2.77Å; K1206-E1223 PolarHBondContact NZ-OE1 2.94Å; K1206-E1223 IonicContact NZ-OE2 3.31Å; K1206-E1223 PolarHBondContact NZ-OE2 3.41Å; D1219-E1223 WeakPolarHBondContact O-CB 3.35Å; D1219-E1223 PolarHBondContact O-N 2.73Å; I1221-E1223 PolarHBondContact O-N 3.33Å; E1223-F1226 PolarHBondContact O-N 2.76Å; E1223-M1227 WeakPolarHBondContact O-CG 3.46Å; E1223-M1227 PolarHBondContact O-N 2.98Å; E1223-M1227 VanDerWaalsContact O-N 3.08Å; E1223-F1420 HydrophobicContact CG-CB 3.7Å |
| 1224 | A | 77 | Confident | 68.2 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.2 | -29.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1221 N1222 M1227 K1228 L1241 V1360 | I1221-A1224 PolarHBondContact O-N 3.12Å; I1221-A1224 VanDerWaalsContact O-N 3.15Å; N1222-A1224 VanDerWaalsContact C-N 3.26Å; N1222-A1224 PolarHBondContact O-N 3.36Å; A1224-M1227 PolarHBondContact O-N 2.78Å; A1224-K1228 PolarHBondContact O-N 3.3Å; A1224-L1241 HydrophobicContact CB-CD1 4.12Å; A1224-L1241 HydrophobicContact CB-CD2 3.72Å; A1224-L1241 HydrophobicContact CB-CG 4.1Å; A1224-V1360 HydrophobicContact CB-CB 4.44Å; A1224-V1360 HydrophobicContact CB-CG1 3.91Å; A1224-V1360 HydrophobicContact CB-CG2 3.64Å |
| 1225 | C | 73 | Confident | 69.2 | Low | 43 Ų | 43 | 46.3 Ų | 46.3 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 171.7 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | I1221 N1222 M1227 K1228 | I1221-C1225 PolarHBondContact O-N 3.31Å; I1221-C1225 PolarHBondContact O-SG 2.83Å; I1221-C1225 VanDerWaalsContact O-SG 3.4Å; N1222-C1225 PolarHBondContact O-N 3.1Å; N1222-C1225 VanDerWaalsContact O-N 3.13Å; C1225-M1227 VanDerWaalsContact C-N 3.32Å; C1225-M1227 PolarHBondContact O-N 2.92Å; C1225-K1228 WeakPolarHBondContact O-CB 3.27Å; C1225-K1228 PolarHBondContact O-N 3.11Å; C1225-K1228 VanDerWaalsContact O-N 3.16Å |
| 1226 | F | 68.1 | Low | 70.2 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 171.7 | -71 | -50.5 | 0 | 0 | 0 | 110.5 | N1222 E1223 K1228 Q1229 F1230 Y1409 C1423 D1425 | N1222-F1226 HydrophobicContact CB-CE2 4.35Å; N1222-F1226 WeakPolarHBondContact O-CD2 3.43Å; N1222-F1226 PolarHBondContact O-N 2.75Å; E1223-F1226 PolarHBondContact O-N 2.76Å; F1226-K1228 PolarHBondContact O-N 3.3Å; F1226-Q1229 PolarHBondContact O-N 2.99Å; F1226-F1230 VanDerWaalsContact C-CZ 3.47Å; F1226-F1230 HydrophobicContact CB-CE2 3.93Å; F1226-F1230 HydrophobicContact CB-CZ 3.68Å; F1226-F1230 WeakPolarHBondContact O-CD1 3.35Å; F1226-F1230 WeakPolarHBondContact O-CD2 3.45Å; F1226-F1230 VanDerWaalsContact O-CE1 3.3Å; F1226-F1230 WeakPolarHBondContact O-CE1 3.32Å; F1226-F1230 VanDerWaalsContact O-CE2 3.23Å; F1226-F1230 WeakPolarHBondContact O-CE2 3.44Å; F1226-F1230 WeakPolarHBondContact O-CG 3.06Å; F1226-F1230 WeakPolarHBondContact O-CZ 3.24Å; F1226-Y1409 HydrophobicContact CD1-CE2 4.14Å; F1226-Y1409 HydrophobicContact CE1-CE2 4.49Å; F1226-Y1409 VanDerWaalsContact CE1-OH 3.3Å; F1226-Y1409 WeakPolarHBondContact CE1-OH 3.14Å; F1226-Y1409 WeakPolarHBondContact CZ-OH 3.36Å; F1226-C1423 WeakPolarHBondContact CE2-O 3.33Å; F1226-D1425 HydrophobicContact CE1-CB 4.15Å; F1226-D1425 HydrophobicContact CZ-CB 4.38Å |
| 1227 | M | 74.6 | Confident | 71.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -11.9 | 176.7 | -69.5 | -179.2 | 73.8 | 0 | 0 | 116.1 | E1223 A1224 C1225 V1236 L1238 M1362 F1420 | E1223-M1227 WeakPolarHBondContact O-CG 3.46Å; E1223-M1227 PolarHBondContact O-N 2.98Å; E1223-M1227 VanDerWaalsContact O-N 3.08Å; A1224-M1227 PolarHBondContact O-N 2.78Å; C1225-M1227 VanDerWaalsContact C-N 3.32Å; C1225-M1227 PolarHBondContact O-N 2.92Å; M1227-V1236 HydrophobicContact CE-CB 3.94Å; M1227-V1236 HydrophobicContact CE-CG1 3.69Å; M1227-L1238 HydrophobicContact CB-CB 4.06Å; M1227-L1238 HydrophobicContact CB-CD2 4.43Å; M1227-L1238 HydrophobicContact CE-CB 4.39Å; M1227-M1362 HydrophobicContact CE-CB 4.33Å; M1227-M1362 HydrophobicContact CE-CE 4.39Å; M1227-M1362 HydrophobicContact SD-CE 4.44Å; M1227-F1420 HydrophobicContact CE-CD2 4.2Å; M1227-F1420 HydrophobicContact CE-CE2 3.82Å; M1227-F1420 HydrophobicContact CG-CD1 4.44Å; M1227-F1420 HydrophobicContact CG-CD2 3.61Å; M1227-F1420 HydrophobicContact CG-CE2 3.78Å; M1227-F1420 HydrophobicContact CG-CG 3.99Å; M1227-F1420 HydrophobicContact CG-CZ 4.23Å; M1227-F1420 HydrophobicContact SD-CD2 3.72Å; M1227-F1420 HydrophobicContact SD-CE2 3.96Å |
| 1228 | K | 75.9 | Confident | 72.1 | Confident | 36 Ų | 36 | 35.6 Ų | 35.6 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.4 | 172.7 | -66.6 | 179 | 175.3 | -173.4 | 0 | 113.5 | Y1150 D1153 W1155 A1224 C1225 F1226 F1230 L1238 | Y1150-K1228 VanDerWaalsContact CZ-NZ 3.28Å; Y1150-K1228 WeakPolarHBondContact OH-CE 3.43Å; Y1150-K1228 PolarHBondContact OH-NZ 2.64Å; D1153-K1228 IonicContact OD1-NZ 2.7Å; D1153-K1228 PolarHBondContact OD1-NZ 2.95Å; D1153-K1228 IonicContact OD2-NZ 3.37Å; D1153-K1228 PolarHBondContact OD2-NZ 3.09Å; W1155-K1228 HydrophobicContact CD2-CG 4.22Å; W1155-K1228 HydrophobicContact CG-CD 4.17Å; W1155-K1228 HydrophobicContact CG-CG 4.22Å; A1224-K1228 PolarHBondContact O-N 3.3Å; C1225-K1228 WeakPolarHBondContact O-CB 3.27Å; C1225-K1228 PolarHBondContact O-N 3.11Å; C1225-K1228 VanDerWaalsContact O-N 3.16Å; F1226-K1228 PolarHBondContact O-N 3.3Å; K1228-F1230 PolarHBondContact O-N 2.83Å; K1228-L1238 HydrophobicContact CB-CD2 4.45Å; K1228-L1238 HydrophobicContact CG-CD2 3.5Å |
| 1229 | Q | 67.5 | Low | 73.2 | Confident | 127 Ų | 127 | 29.7 Ų | 29.7 | 59% | 0.593 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -78.8 | -1.4 | -172.7 | -63.7 | 176.5 | -19.7 | 0 | 0 | 113 | F1226 | F1226-Q1229 PolarHBondContact O-N 2.99Š|
| 1230 | F | 67.7 | Low | 74.3 | Confident | 12 Ų | 12 | 28 Ų | 28 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | trans | -114.1 | 102.8 | -154.8 | -66.3 | -11 | 0 | 0 | 0 | 111.7 | F1226 K1228 L1235 Y1409 F1420 | F1226-F1230 VanDerWaalsContact C-CZ 3.47Å; F1226-F1230 HydrophobicContact CB-CE2 3.93Å; F1226-F1230 HydrophobicContact CB-CZ 3.68Å; F1226-F1230 WeakPolarHBondContact O-CD1 3.35Å; F1226-F1230 WeakPolarHBondContact O-CD2 3.45Å; F1226-F1230 VanDerWaalsContact O-CE1 3.3Å; F1226-F1230 WeakPolarHBondContact O-CE1 3.32Å; F1226-F1230 VanDerWaalsContact O-CE2 3.23Å; F1226-F1230 WeakPolarHBondContact O-CE2 3.44Å; F1226-F1230 WeakPolarHBondContact O-CG 3.06Å; F1226-F1230 WeakPolarHBondContact O-CZ 3.24Å; K1228-F1230 PolarHBondContact O-N 2.83Å; F1230-L1235 HydrophobicContact CB-CD1 3.47Å; F1230-L1235 VanDerWaalsContact CB-CD1 3.47Å; F1230-L1235 HydrophobicContact CB-CD2 3.23Å; F1230-L1235 HydrophobicContact CB-CG 3.9Å; F1230-L1235 HydrophobicContact CD2-CD2 3.94Å; F1230-L1235 HydrophobicContact CG-CD1 4.31Å; F1230-L1235 HydrophobicContact CG-CD2 4.05Å; F1230-Y1409 AromaticContact CE1-CD2 3.46Å; F1230-Y1409 HydrophobicContact CE1-CD2 3.46Å; F1230-Y1409 VanDerWaalsContact CE1-CD2 3.46Å; F1230-Y1409 HydrophobicContact CE1-CE2 4.27Å; F1230-Y1409 HydrophobicContact CE1-CG 4.06Å; F1230-Y1409 HydrophobicContact CE2-CD2 4.35Å; F1230-Y1409 HydrophobicContact CE2-CG 4.23Å; F1230-Y1409 AromaticContact CZ-CD2 3.23Å; F1230-Y1409 HydrophobicContact CZ-CD2 3.23Å; F1230-Y1409 AromaticContact CZ-CE2 3.98Å; F1230-Y1409 HydrophobicContact CZ-CE2 3.98Å; F1230-Y1409 AromaticContact CZ-CG 3.49Å; F1230-Y1409 HydrophobicContact CZ-CG 3.49Å; F1230-Y1409 VanDerWaalsContact CZ-CG 3.49Å; F1230-F1420 HydrophobicContact CD2-CD1 4.06Å; F1230-F1420 AromaticContact CD2-CE1 3.45Å; F1230-F1420 HydrophobicContact CD2-CE1 3.45Å; F1230-F1420 VanDerWaalsContact CD2-CE1 3.45Å; F1230-F1420 HydrophobicContact CD2-CZ 4.08Å; F1230-F1420 AromaticContact CE2-CD1 3.55Å; F1230-F1420 HydrophobicContact CE2-CD1 3.55Å; F1230-F1420 AromaticContact CE2-CE1 3.42Å; F1230-F1420 HydrophobicContact CE2-CE1 3.42Å; F1230-F1420 VanDerWaalsContact CE2-CE1 3.42Å; F1230-F1420 HydrophobicContact CE2-CZ 4.4Å | ||
| 1231 | Q | 64.4 | Low | 74.9 | Confident | 105 Ų | 105 | 28 Ų | 28 | 49% | 0.491 | 13% | 0.133 | S | C | . | . | trans | -108.5 | -14 | -164.8 | -64.1 | -164.3 | -1.9 | 0 | 0 | 117 | R1237 Y1403 | Q1231-R1237 PolarHBondContact O-NH2 2.84Å; Q1231-R1237 VanDerWaalsContact O-NH2 3.13Å; Q1231-Y1403 PolarHBondContact N-OH 3.48Å | ||
| 1232 | S | 66 | Low | 75.4 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | trans | -49.9 | 148.6 | -176.3 | -177.9 | 0 | 0 | 0 | 0 | 113.3 | H1234 L1235 R1237 | S1232-H1234 PolarHBondContact O-N 2.83Å; S1232-H1234 PolarHBondContact OG-N 3.34Å; S1232-L1235 VanDerWaalsContact O-CB 3.26Å; S1232-L1235 WeakPolarHBondContact O-CB 3.38Å; S1232-L1235 PolarHBondContact O-N 2.82Å; S1232-R1237 PolarHBondContact O-NH2 2.87Å | ||
| 1233 | Y | 69 | Low | 75.8 | Confident | 95 Ų | 95 | 26.5 Ų | 26.5 | 37% | 0.373 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.5 | 170.1 | 179.3 | -102.5 | 0 | 0 | 0 | 111 | L1235 T1414 K1416 A1547 | Y1233-L1235 PolarHBondContact O-N 3.28Å; Y1233-T1414 HydrophobicContact CE1-CG2 4.11Å; Y1233-K1416 PolarHBondContact O-NZ 2.97Å; Y1233-A1547 HydrophobicContact CD1-CB 3.47Å; Y1233-A1547 VanDerWaalsContact CD1-CB 3.47Å; Y1233-A1547 HydrophobicContact CD2-CB 4.47Å; Y1233-A1547 HydrophobicContact CE1-CB 4.09Å; Y1233-A1547 HydrophobicContact CG-CB 3.68Å |
| 1234 | H | 73.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 10.4 | 175.9 | -68.3 | 122.1 | 0 | 0 | 0 | 113.2 | S1232 D1399 H1411 K1416 F1544 | S1232-H1234 PolarHBondContact O-N 2.83Å; S1232-H1234 PolarHBondContact OG-N 3.34Å; H1234-D1399 IonicContact CE1-OD2 2.67Å; H1234-D1399 PolarHBondContact CE1-OD2 2.91Å; H1234-D1399 IonicContact CG-OD2 3.44Å; H1234-D1399 IonicContact ND1-OD2 3.71Å; H1234-D1399 PolarHBondContact ND1-OD2 2.79Å; H1234-H1411 VanDerWaalsContact C-CG 3.42Å; H1234-H1411 VanDerWaalsContact C-ND1 3.34Å; H1234-H1411 VanDerWaalsContact CB-CE1 3.48Å; H1234-H1411 WeakPolarHBondContact CB-CE1 3.07Å; H1234-H1411 VanDerWaalsContact CB-ND1 3.33Å; H1234-H1411 WeakPolarHBondContact CB-ND1 3.28Å; H1234-H1411 WeakPolarHBondContact O-CB 3.39Å; H1234-H1411 PolarHBondContact O-ND1 2.91Å; H1234-K1416 HydrophobicContact CB-CG 4.45Å; H1234-K1416 WeakPolarHBondContact O-CB 3.34Å; H1234-K1416 WeakPolarHBondContact O-CD 3.45Å; H1234-K1416 WeakPolarHBondContact O-CG 3.05Å; H1234-F1544 AromaticContact CE1-CD2 3.7Å; H1234-F1544 AromaticContact CE1-CE2 3.75Å; H1234-F1544 AromaticContact NE2-CD2 3.98Å |
| 1235 | L | 71.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -91.9 | 162.3 | -178.6 | -127.3 | 123.2 | 0 | 0 | 0 | 118.5 | F1230 S1232 Y1233 R1237 Y1403 H1411 K1416 F1420 | F1230-L1235 HydrophobicContact CB-CD1 3.47Å; F1230-L1235 VanDerWaalsContact CB-CD1 3.47Å; F1230-L1235 HydrophobicContact CB-CD2 3.23Å; F1230-L1235 HydrophobicContact CB-CG 3.9Å; F1230-L1235 HydrophobicContact CD2-CD2 3.94Å; F1230-L1235 HydrophobicContact CG-CD1 4.31Å; F1230-L1235 HydrophobicContact CG-CD2 4.05Å; S1232-L1235 VanDerWaalsContact O-CB 3.26Å; S1232-L1235 WeakPolarHBondContact O-CB 3.38Å; S1232-L1235 PolarHBondContact O-N 2.82Å; Y1233-L1235 PolarHBondContact O-N 3.28Å; L1235-R1237 PolarHBondContact O-N 3.26Å; L1235-Y1403 HydrophobicContact CD1-CD1 4.13Å; L1235-Y1403 HydrophobicContact CD1-CE1 3.59Å; L1235-H1411 WeakPolarHBondContact CD1-CD2 3.03Å; L1235-H1411 WeakPolarHBondContact CG-CD2 3.25Å; L1235-K1416 PolarHBondContact O-NZ 3.32Å; L1235-F1420 HydrophobicContact CD2-CE1 4.42Å; L1235-F1420 HydrophobicContact CD2-CZ 3.85Å |
| 1236 | V | 77.7 | Confident | 72.9 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | trans | -80.2 | 105 | 157 | -177.3 | 0 | 0 | 0 | 0 | 105.3 | M1227 L1238 M1362 S1412 F1420 | M1227-V1236 HydrophobicContact CE-CB 3.94Å; M1227-V1236 HydrophobicContact CE-CG1 3.69Å; V1236-L1238 PolarHBondContact O-N 2.89Å; V1236-L1238 VanDerWaalsContact O-N 3.11Å; V1236-M1362 HydrophobicContact CG1-CB 3.92Å; V1236-M1362 HydrophobicContact CG1-SD 4.47Å; V1236-S1412 VanDerWaalsContact CG2-OG 3.3Å; V1236-S1412 WeakPolarHBondContact CG2-OG 3.4Å; V1236-F1420 HydrophobicContact CB-CE2 4.03Å; V1236-F1420 HydrophobicContact CB-CZ 4.45Å; V1236-F1420 HydrophobicContact CG2-CE2 4.07Å | ||
| 1237 | R | 81.6 | Confident | 71.2 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | trans | -71.9 | 117.5 | 175.9 | -70.9 | 169 | 176.5 | 179.8 | -8.5 | 108.4 | F1194 Q1231 S1232 L1235 L1239 Q1363 | F1194-R1237 HydrophobicContact CD2-CG 4.42Å; F1194-R1237 HydrophobicContact CE2-CG 4.22Å; Q1231-R1237 PolarHBondContact O-NH2 2.84Å; Q1231-R1237 VanDerWaalsContact O-NH2 3.13Å; S1232-R1237 PolarHBondContact O-NH2 2.87Å; L1235-R1237 PolarHBondContact O-N 3.26Å; R1237-L1239 HydrophobicContact CB-CD2 4.44Å; R1237-Q1363 PolarHBondContact O-N 3.45Å | ||
| 1238 | L | 86.4 | Confident | 69.1 | Low | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 140.1 | 152.3 | -176.1 | 69.8 | 0 | 0 | 0 | 107.1 | W1155 M1227 K1228 V1236 L1241 V1360 | W1155-L1238 HydrophobicContact CD2-CD2 4.2Å; W1155-L1238 HydrophobicContact CE3-CB 4.44Å; W1155-L1238 HydrophobicContact CE3-CD2 3.7Å; W1155-L1238 HydrophobicContact CE3-CG 3.97Å; W1155-L1238 HydrophobicContact CZ3-CB 4.09Å; W1155-L1238 HydrophobicContact CZ3-CD2 4.08Å; W1155-L1238 HydrophobicContact CZ3-CG 4.13Å; W1155-L1238 WeakPolarHBondContact CZ3-O 3.33Å; M1227-L1238 HydrophobicContact CB-CB 4.06Å; M1227-L1238 HydrophobicContact CB-CD2 4.43Å; M1227-L1238 HydrophobicContact CE-CB 4.39Å; K1228-L1238 HydrophobicContact CB-CD2 4.45Å; K1228-L1238 HydrophobicContact CG-CD2 3.5Å; V1236-L1238 PolarHBondContact O-N 2.89Å; V1236-L1238 VanDerWaalsContact O-N 3.11Å; L1238-L1241 HydrophobicContact CD1-CD1 4.05Å; L1238-L1241 HydrophobicContact CD2-CD1 3.85Å; L1238-L1241 HydrophobicContact CG-CD1 4.44Å; L1238-V1360 HydrophobicContact CD1-CG1 3.79Å |
| 1239 | L | 88 | Confident | 67 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -29.4 | 175.2 | -58.2 | 177.7 | 0 | 0 | 0 | 110 | L1187 T1189 A1191 Y1195 I1201 V1203 R1237 I1361 | L1187-L1239 HydrophobicContact CD1-CB 4.2Å; L1187-L1239 WeakPolarHBondContact CD1-O 3.27Å; L1187-L1239 HydrophobicContact CD2-CD2 4.35Å; T1189-L1239 WeakPolarHBondContact CB-O 3.42Å; T1189-L1239 WeakPolarHBondContact CG2-O 3.39Å; T1189-L1239 PolarHBondContact OG1-O 2.9Å; A1191-L1239 HydrophobicContact CB-CD2 3.99Å; Y1195-L1239 HydrophobicContact CE2-CD2 3.76Å; I1201-L1239 HydrophobicContact CG2-CD1 4.5Å; V1203-L1239 HydrophobicContact CB-CD1 4.41Å; V1203-L1239 HydrophobicContact CG1-CD1 3.46Å; V1203-L1239 VanDerWaalsContact CG1-CD1 3.46Å; R1237-L1239 HydrophobicContact CB-CD2 4.44Å; L1239-I1361 HydrophobicContact CB-CG2 4.28Å; L1239-I1361 PolarHBondContact N-O 3.4Å |
| 1240 | G | 87.9 | Confident | 65.1 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -178.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1155 I1361 | W1155-G1240 CarbonylContact O-C 3.59Å; W1155-G1240 WeakPolarHBondContact O-CA 3.02Å; G1240-I1361 PolarHBondContact N-O 2.92Å; G1240-I1361 WeakPolarHBondContact O-CA 3.42Å; G1240-I1361 VanDerWaalsContact O-CB 3.28Å; G1240-I1361 WeakPolarHBondContact O-CB 3.39Å; G1240-I1361 PolarHBondContact O-N 2.83Å |
| 1241 | L | 88 | Confident | 63.2 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 157.4 | 169.7 | -74.3 | 88.5 | 0 | 0 | 0 | 110.4 | Y1150 W1155 E1156 I1157 A1224 L1238 T1243 L1359 | Y1150-L1241 HydrophobicContact CD2-CD2 4.02Å; Y1150-L1241 HydrophobicContact CE2-CB 4.44Å; Y1150-L1241 HydrophobicContact CE2-CD1 3.86Å; Y1150-L1241 HydrophobicContact CE2-CD2 3.54Å; Y1150-L1241 HydrophobicContact CE2-CG 4.15Å; W1155-L1241 PolarHBondContact O-N 3.31Å; E1156-L1241 CarbonylContact C-O 3.52Å; E1156-L1241 WeakPolarHBondContact CA-O 3.37Å; I1157-L1241 PolarHBondContact N-O 2.8Å; A1224-L1241 HydrophobicContact CB-CD1 4.12Å; A1224-L1241 HydrophobicContact CB-CD2 3.72Å; A1224-L1241 HydrophobicContact CB-CG 4.1Å; L1238-L1241 HydrophobicContact CD1-CD1 4.05Å; L1238-L1241 HydrophobicContact CD2-CD1 3.85Å; L1238-L1241 HydrophobicContact CG-CD1 4.44Å; L1241-T1243 HydrophobicContact CB-CG2 4.08Å; L1241-T1243 HydrophobicContact CD2-CG2 4.1Å; L1241-L1359 CarbonylContact C-O 3.28Å; L1241-L1359 WeakPolarHBondContact CA-O 3.2Å |
| 1242 | V | 85.1 | Confident | 61.6 | Low | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 99.8 | 162.8 | -171.8 | 0 | 0 | 0 | 0 | 106.7 | I1157 K1159 V1162 P1358 L1359 I1361 | I1157-V1242 HydrophobicContact CB-CG2 4.42Å; I1157-V1242 WeakPolarHBondContact O-CG2 3.43Å; K1159-V1242 HydrophobicContact CB-CG1 3.88Å; K1159-V1242 HydrophobicContact CG-CG1 4.37Å; V1162-V1242 HydrophobicContact CG2-CG2 4.23Å; V1242-P1358 VanDerWaalsContact O-CA 3.27Å; V1242-P1358 WeakPolarHBondContact O-CA 3.35Å; V1242-L1359 HydrophobicContact CB-CB 3.95Å; V1242-L1359 HydrophobicContact CB-CD1 4.13Å; V1242-L1359 HydrophobicContact CB-CG 4.12Å; V1242-L1359 HydrophobicContact CG1-CD1 4.46Å; V1242-L1359 HydrophobicContact CG2-CB 4.09Å; V1242-L1359 HydrophobicContact CG2-CD1 4.09Å; V1242-L1359 HydrophobicContact CG2-CG 4.46Å; V1242-L1359 PolarHBondContact N-O 3.38Å; V1242-L1359 PolarHBondContact O-N 2.97Å; V1242-I1361 HydrophobicContact CG2-CD1 4.15Å; V1242-I1361 HydrophobicContact CG2-CG1 4.15Å |
| 1243 | T | 78 | Confident | 60 | Low | 41 Ų | 41 | 58.1 Ų | 58.1 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | trans | -105.3 | -33 | 177 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | Y1150 E1156 L1241 T1245 | Y1150-T1243 HydrophobicContact CD1-CG2 3.54Å; Y1150-T1243 HydrophobicContact CD2-CG2 4.37Å; Y1150-T1243 HydrophobicContact CE1-CG2 3.8Å; Y1150-T1243 HydrophobicContact CG-CG2 3.88Å; E1156-T1243 VanDerWaalsContact CD-OG1 3.29Å; E1156-T1243 PolarHBondContact OE1-N 2.82Å; E1156-T1243 PolarHBondContact OE1-OG1 2.84Å; E1156-T1243 WeakPolarHBondContact OE2-CB 3Å; E1156-T1243 PolarHBondContact OE2-N 3.36Å; E1156-T1243 PolarHBondContact OE2-OG1 3.31Å; L1241-T1243 HydrophobicContact CB-CG2 4.08Å; L1241-T1243 HydrophobicContact CD2-CG2 4.1Å; T1243-T1245 PolarHBondContact O-N 3.42Å | ||
| 1244 | K | 64.1 | Low | 58.2 | Low | 98 Ų | 98 | 61 Ų | 61 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | trans | -88.1 | 102.8 | 176.3 | -75.7 | 173 | 173.2 | 157.1 | 0 | 111 | V1152 E1156 K1246 | V1152-K1244 HydrophobicContact CG1-CD 4.1Å; V1152-K1244 VanDerWaalsContact CG1-NZ 3.27Å; V1152-K1244 HydrophobicContact CG2-CD 4.11Å; V1152-K1244 HydrophobicContact CG2-CG 4.29Å; E1156-K1244 PolarHBondContact OE1-N 3.5Å; K1244-K1246 PolarHBondContact O-N 3.42Å | ||
| 1245 | T | 53 | Low | 56.6 | Low | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | trans | -61.6 | 119.9 | 156.3 | 42.6 | 0 | 0 | 0 | 0 | 109 | T1243 H1247 E1356 | T1243-T1245 PolarHBondContact O-N 3.42Å; T1245-H1247 PolarHBondContact O-N 3.25Å; T1245-E1356 HydrophobicContact CG2-CB 3.95Å; T1245-E1356 HydrophobicContact CG2-CG 4.2Å | ||
| 1246 | K | 42.2 | Very low | 55.1 | Low | 110 Ų | 110 | 68.1 Ų | 68.1 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | trans | -67.3 | 102.9 | 168 | -88.3 | 173.6 | 175.6 | 162.1 | 0 | 108.6 | T1158 D1160 K1244 K1248 | T1158-K1246 PolarHBondContact OG1-NZ 3.41Å; D1160-K1246 WeakPolarHBondContact OD2-CD 3.22Å; D1160-K1246 WeakPolarHBondContact OD2-CE 3.29Å; D1160-K1246 IonicContact OD2-NZ 2.72Å; D1160-K1246 PolarHBondContact OD2-NZ 3Å; K1244-K1246 PolarHBondContact O-N 3.42Å; K1246-K1248 PolarHBondContact O-N 2.04Å | ||
| 1247 | H | 32.8 | Very low | 53.2 | Low | 159 Ų | 159 | 74.4 Ų | 74.4 | 74% | 0.736 | 36% | 0.36 | S | S | * | . | trans | -57.2 | 87.2 | 138.9 | -74.7 | -61 | 0 | 0 | 0 | 107.7 | T1245 H1249 | T1245-H1247 PolarHBondContact O-N 3.25Å; H1247-H1249 PolarHBondContact O-N 2.92Å; H1247-H1249 VanDerWaalsContact O-N 3.16Å | ||
| 1248 | K | 31.7 | Very low | 50.9 | Low | 143 Ų | 143 | 75.1 Ų | 75.1 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | trans | -53.8 | 121.8 | 156.3 | -97.9 | 166.3 | 171 | 148.7 | 0 | 105.3 | D1160 K1246 K1250 | D1160-K1248 IonicContact OD1-NZ 2.71Å; D1160-K1248 PolarHBondContact OD1-NZ 3.48Å; D1160-K1248 IonicContact OD2-NZ 3.19Å; K1246-K1248 PolarHBondContact O-N 2.04Å; K1248-K1250 PolarHBondContact O-N 3.09Å | ||
| 1249 | H | 30.4 | Very low | 48.8 | Very low | 158 Ų | 158 | 79.3 Ų | 79.3 | 73% | 0.731 | 39% | 0.39 | S | S | * | . | trans | -64.6 | 78.2 | 177.8 | -103.8 | -79.1 | 0 | 0 | 0 | 110.6 | H1247 S1251 | H1247-H1249 PolarHBondContact O-N 2.92Å; H1247-H1249 VanDerWaalsContact O-N 3.16Å; H1249-S1251 VanDerWaalsContact C-N 3.29Å; H1249-S1251 PolarHBondContact CE1-OG 3.39Å; H1249-S1251 PolarHBondContact ND1-OG 2.78Å | ||
| 1250 | K | 27.8 | Very low | 46.3 | Very low | 148 Ų | 148 | 84.1 Ų | 84.1 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | trans | -102.7 | 57.8 | 146.6 | -80.1 | -172.5 | 179.2 | 173.8 | 0 | 107.4 | K1248 V1252 | K1248-K1250 PolarHBondContact O-N 3.09Å; K1250-V1252 HydrophobicContact CB-CB 3.87Å; K1250-V1252 HydrophobicContact CB-CG2 3.97Å; K1250-V1252 HydrophobicContact CG-CB 4.39Å; K1250-V1252 HydrophobicContact CG-CG2 3.96Å; K1250-V1252 CarbonylContact O-C 2.74Å; K1250-V1252 WeakPolarHBondContact O-CB 3.04Å | ||
| 1251 | S | 28.7 | Very low | 43.9 | Very low | 64 Ų | 64 | 88.8 Ų | 88.8 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | trans | -93 | 77.6 | 140 | 65.1 | 0 | 0 | 0 | 0 | 106.8 | H1249 | H1249-S1251 VanDerWaalsContact C-N 3.29Å; H1249-S1251 PolarHBondContact CE1-OG 3.39Å; H1249-S1251 PolarHBondContact ND1-OG 2.78Å | ||
| 1252 | V | 29.7 | Very low | 41.6 | Very low | 56 Ų | 56 | 93.8 Ų | 93.8 | 34% | 0.339 | 47% | 0.466 | S | S | . | . | cis | 23.6 | 49.8 | 24.6 | -161 | 0 | 0 | 0 | 0 | 112.7 | K1250 R1257 | K1250-V1252 HydrophobicContact CB-CB 3.87Å; K1250-V1252 HydrophobicContact CB-CG2 3.97Å; K1250-V1252 HydrophobicContact CG-CB 4.39Å; K1250-V1252 HydrophobicContact CG-CG2 3.96Å; K1250-V1252 CarbonylContact O-C 2.74Å; K1250-V1252 WeakPolarHBondContact O-CB 3.04Å; V1252-R1257 HydrophobicContact CB-CG 4.48Å; V1252-R1257 HydrophobicContact CG1-CB 3.98Å; V1252-R1257 HydrophobicContact CG1-CG 3.67Å; V1252-R1257 HydrophobicContact CG2-CG 4.1Å | ||
| 1253 | T | 32.5 | Very low | 39.4 | Very low | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | trans | -56.1 | 153.8 | 145.9 | 64.2 | 0 | 0 | 0 | 0 | 106.7 | T1255 D1256 R1257 | T1253-T1255 VanDerWaalsContact CB-OG1 3.26Å; T1253-T1255 WeakPolarHBondContact CB-OG1 3.26Å; T1253-T1255 PolarHBondContact O-N 3.36Å; T1253-T1255 VanDerWaalsContact O-N 3.15Å; T1253-T1255 WeakPolarHBondContact OG1-CB 3.49Å; T1253-T1255 PolarHBondContact OG1-OG1 3.39Å; T1253-D1256 WeakPolarHBondContact CB-OD2 3.4Å; T1253-D1256 WeakPolarHBondContact CG2-OD2 3.4Å; T1253-D1256 PolarHBondContact N-OD2 2.83Å; T1253-D1256 PolarHBondContact O-N 2.79Å; T1253-D1256 PolarHBondContact OG1-N 2.83Å; T1253-D1256 PolarHBondContact OG1-OD2 3.44Å; T1253-R1257 PolarHBondContact O-N 3.16Å | ||
| 1254 | F | 32 | Very low | 37.7 | Very low | 155 Ų | 155 | 106.2 Ų | 106.2 | 68% | 0.68 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -53.6 | -36.7 | 173.2 | -175.6 | -111.1 | 0 | 0 | 0 | 109.6 | C1258 | F1254-C1258 WeakPolarHBondContact O-CB 3.41Å; F1254-C1258 PolarHBondContact O-N 2.91Å; F1254-C1258 PolarHBondContact O-SG 3.23Å |
| 1255 | T | 39.8 | Very low | 36.5 | Very low | 83 Ų | 83 | 111 Ų | 111 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 165.9 | 25.9 | 0 | 0 | 0 | 0 | 115.5 | T1253 R1257 C1258 I1259 | T1253-T1255 VanDerWaalsContact CB-OG1 3.26Å; T1253-T1255 WeakPolarHBondContact CB-OG1 3.26Å; T1253-T1255 PolarHBondContact O-N 3.36Å; T1253-T1255 VanDerWaalsContact O-N 3.15Å; T1253-T1255 WeakPolarHBondContact OG1-CB 3.49Å; T1253-T1255 PolarHBondContact OG1-OG1 3.39Å; T1255-R1257 PolarHBondContact O-N 2.88Å; T1255-C1258 PolarHBondContact O-N 2.86Å; T1255-I1259 HydrophobicContact CG2-CD1 4.48Å; T1255-I1259 WeakPolarHBondContact O-CA 3.43Å; T1255-I1259 WeakPolarHBondContact O-CB 3.37Å; T1255-I1259 WeakPolarHBondContact O-CD1 3.17Å; T1255-I1259 WeakPolarHBondContact O-CG1 3.32Å; T1255-I1259 PolarHBondContact O-N 2.84Å |
| 1256 | D | 38.8 | Very low | 35.8 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 36% | 0.358 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.9 | -31.5 | -177.6 | -70.2 | -61.8 | 0 | 0 | 0 | 113.6 | T1253 N1260 | T1253-D1256 WeakPolarHBondContact CB-OD2 3.4Å; T1253-D1256 WeakPolarHBondContact CG2-OD2 3.4Å; T1253-D1256 PolarHBondContact N-OD2 2.83Å; T1253-D1256 PolarHBondContact O-N 2.79Å; T1253-D1256 PolarHBondContact OG1-N 2.83Å; T1253-D1256 PolarHBondContact OG1-OD2 3.44Å; D1256-N1260 PolarHBondContact O-N 2.03Å; D1256-N1260 PolarHBondContact O-ND2 3.14Å |
| 1257 | R | 37.8 | Very low | 35.4 | Very low | 137 Ų | 137 | 117.1 Ų | 117.1 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -80.4 | -39.2 | 169 | -94.1 | -174 | -175.9 | -166.2 | -10.4 | 112.2 | V1252 T1253 T1255 I1259 N1260 L1261 | V1252-R1257 HydrophobicContact CB-CG 4.48Å; V1252-R1257 HydrophobicContact CG1-CB 3.98Å; V1252-R1257 HydrophobicContact CG1-CG 3.67Å; V1252-R1257 HydrophobicContact CG2-CG 4.1Å; T1253-R1257 PolarHBondContact O-N 3.16Å; T1255-R1257 PolarHBondContact O-N 2.88Å; R1257-I1259 VanDerWaalsContact C-N 3.35Å; R1257-I1259 PolarHBondContact O-N 3.27Å; R1257-N1260 PolarHBondContact O-N 2.9Å; R1257-L1261 HydrophobicContact CB-CD1 4.37Å; R1257-L1261 VanDerWaalsContact O-CB 3.25Å; R1257-L1261 WeakPolarHBondContact O-CB 3.43Å; R1257-L1261 WeakPolarHBondContact O-CG 3.28Å; R1257-L1261 PolarHBondContact O-N 2.04Å |
| 1258 | C | 33 | Very low | 35.6 | Very low | 40 Ų | 40 | 112.7 Ų | 112.7 | 27% | 0.27 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 174.1 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | F1254 T1255 L1261 L1262 | F1254-C1258 WeakPolarHBondContact O-CB 3.41Å; F1254-C1258 PolarHBondContact O-N 2.91Å; F1254-C1258 PolarHBondContact O-SG 3.23Å; T1255-C1258 PolarHBondContact O-N 2.86Å; C1258-L1261 PolarHBondContact O-N 2.83Å; C1258-L1262 HydrophobicContact CB-CD1 4.42Å; C1258-L1262 WeakPolarHBondContact O-CA 3.33Å; C1258-L1262 WeakPolarHBondContact O-CB 3.27Å; C1258-L1262 WeakPolarHBondContact O-CD1 3.13Å; C1258-L1262 WeakPolarHBondContact O-CG 3.21Å; C1258-L1262 PolarHBondContact O-N 2.85Å |
| 1259 | I | 42.6 | Very low | 35.8 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.8 | -43 | 177.1 | -71.9 | 164.1 | 0 | 0 | 0 | 110.5 | T1255 R1257 H1263 | T1255-I1259 HydrophobicContact CG2-CD1 4.48Å; T1255-I1259 WeakPolarHBondContact O-CA 3.43Å; T1255-I1259 WeakPolarHBondContact O-CB 3.37Å; T1255-I1259 WeakPolarHBondContact O-CD1 3.17Å; T1255-I1259 WeakPolarHBondContact O-CG1 3.32Å; T1255-I1259 PolarHBondContact O-N 2.84Å; R1257-I1259 VanDerWaalsContact C-N 3.35Å; R1257-I1259 PolarHBondContact O-N 3.27Å; I1259-H1263 VanDerWaalsContact O-CB 3.29Å; I1259-H1263 WeakPolarHBondContact O-CB 3.49Å; I1259-H1263 PolarHBondContact O-CD2 2.79Å; I1259-H1263 PolarHBondContact O-N 2.92Å |
| 1260 | N | 36.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.2 | -31.4 | 176.8 | -76.6 | -77.1 | 0 | 0 | 0 | 113.5 | D1256 R1257 Q1264 | D1256-N1260 PolarHBondContact O-N 2.03Å; D1256-N1260 PolarHBondContact O-ND2 3.14Å; R1257-N1260 PolarHBondContact O-N 2.9Å; N1260-Q1264 WeakPolarHBondContact O-CG 3.4Å; N1260-Q1264 PolarHBondContact O-N 2.77Å |
| 1261 | L | 37.5 | Very low | 36.5 | Very low | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -79.7 | -35.2 | 175.2 | -77.9 | 157.2 | 0 | 0 | 0 | 112.8 | R1257 C1258 H1263 Q1264 Y1265 | R1257-L1261 HydrophobicContact CB-CD1 4.37Å; R1257-L1261 VanDerWaalsContact O-CB 3.25Å; R1257-L1261 WeakPolarHBondContact O-CB 3.43Å; R1257-L1261 WeakPolarHBondContact O-CG 3.28Å; R1257-L1261 PolarHBondContact O-N 2.04Å; C1258-L1261 PolarHBondContact O-N 2.83Å; L1261-H1263 VanDerWaalsContact C-N 3.35Å; L1261-Q1264 CarbonylContact O-C 3.54Å; L1261-Q1264 PolarHBondContact O-N 2.84Å; L1261-Q1264 VanDerWaalsContact O-N 3.07Å; L1261-Y1265 PolarHBondContact O-N 3.22Å |
| 1262 | L | 38.2 | Very low | 36.9 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -39.9 | 169.6 | -71.2 | 165.8 | 0 | 0 | 0 | 110.5 | C1258 Q1264 Y1265 H1266 | C1258-L1262 HydrophobicContact CB-CD1 4.42Å; C1258-L1262 WeakPolarHBondContact O-CA 3.33Å; C1258-L1262 WeakPolarHBondContact O-CB 3.27Å; C1258-L1262 WeakPolarHBondContact O-CD1 3.13Å; C1258-L1262 WeakPolarHBondContact O-CG 3.21Å; C1258-L1262 PolarHBondContact O-N 2.85Å; L1262-Q1264 PolarHBondContact O-N 3.17Å; L1262-Y1265 PolarHBondContact O-N 2.88Å; L1262-H1266 CarbonylContact O-C 3.19Å; L1262-H1266 VanDerWaalsContact O-C 3.29Å; L1262-H1266 PolarHBondContact O-N 2.74Å; L1262-H1266 VanDerWaalsContact O-N 3.14Å |
| 1263 | H | 39 | Very low | 37.2 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.7 | -22.4 | 169.5 | -100 | -99 | 0 | 0 | 0 | 114.1 | I1259 L1261 | I1259-H1263 VanDerWaalsContact O-CB 3.29Å; I1259-H1263 WeakPolarHBondContact O-CB 3.49Å; I1259-H1263 PolarHBondContact O-CD2 2.79Å; I1259-H1263 PolarHBondContact O-N 2.92Å; L1261-H1263 VanDerWaalsContact C-N 3.35Å |
| 1264 | Q | 43.5 | Very low | 37.5 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -97.2 | -16.2 | 178.9 | -78.1 | -167.6 | -52.2 | 0 | 0 | 115.4 | N1260 L1261 L1262 | N1260-Q1264 WeakPolarHBondContact O-CG 3.4Å; N1260-Q1264 PolarHBondContact O-N 2.77Å; L1261-Q1264 CarbonylContact O-C 3.54Å; L1261-Q1264 PolarHBondContact O-N 2.84Å; L1261-Q1264 VanDerWaalsContact O-N 3.07Å; L1262-Q1264 PolarHBondContact O-N 3.17Å |
| 1265 | Y | 38.9 | Very low | 37.8 | Very low | 198 Ų | 198 | 113.3 Ų | 113.3 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -122.9 | -30 | -178.8 | -94.9 | -89.7 | 0 | 0 | 0 | 117.4 | L1261 L1262 | L1261-Y1265 PolarHBondContact O-N 3.22Å; L1262-Y1265 PolarHBondContact O-N 2.88Å |
| 1266 | H | 38.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 70% | 0.704 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -151 | 90.1 | 173.3 | -91.9 | -100.7 | 0 | 0 | 0 | 109.1 | L1262 | L1262-H1266 CarbonylContact O-C 3.19Å; L1262-H1266 VanDerWaalsContact O-C 3.29Å; L1262-H1266 PolarHBondContact O-N 2.74Å; L1262-H1266 VanDerWaalsContact O-N 3.14Å |
| 1267 | F | 32.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 61% | 0.605 | 60% | 0.602 | S | S | * | * | S | Bend | -146.3 | 12.7 | 90.8 | -127.6 | -115.1 | 0 | 0 | 0 | 115.2 | K1269 L1270 | F1267-K1269 PolarHBondContact O-N 2.96Å; F1267-L1270 HydrophobicContact CD1-CB 3.68Å; F1267-L1270 HydrophobicContact CD1-CD2 4.45Å; F1267-L1270 HydrophobicContact CE1-CB 3.51Å; F1267-L1270 HydrophobicContact CE1-CD2 3.43Å; F1267-L1270 VanDerWaalsContact CE1-CD2 3.43Å; F1267-L1270 HydrophobicContact CE1-CG 4.07Å; F1267-L1270 HydrophobicContact CZ-CB 4.24Å; F1267-L1270 HydrophobicContact CZ-CD2 3.68Å; F1267-L1270 PolarHBondContact O-N 3.01Å; F1267-L1270 VanDerWaalsContact O-N 3.12Å | |
| 1268 | G | 37.2 | Very low | 37.6 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 12.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1269 | K | 37.3 | Very low | 37.5 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 78% | 0.783 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | -9.8 | 172.4 | -78.1 | -171.9 | 175.9 | 178.6 | 0 | 115.4 | F1267 F1273 | F1267-K1269 PolarHBondContact O-N 2.96Å; K1269-F1273 WeakPolarHBondContact O-CB 3.12Å; K1269-F1273 PolarHBondContact O-N 3.33Å |
| 1270 | L | 35.4 | Very low | 37.1 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 43% | 0.429 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -39.8 | -179.9 | -142.6 | 77.8 | 0 | 0 | 0 | 113.3 | F1267 L1272 F1273 V1274 | F1267-L1270 HydrophobicContact CD1-CB 3.68Å; F1267-L1270 HydrophobicContact CD1-CD2 4.45Å; F1267-L1270 HydrophobicContact CE1-CB 3.51Å; F1267-L1270 HydrophobicContact CE1-CD2 3.43Å; F1267-L1270 VanDerWaalsContact CE1-CD2 3.43Å; F1267-L1270 HydrophobicContact CE1-CG 4.07Å; F1267-L1270 HydrophobicContact CZ-CB 4.24Å; F1267-L1270 HydrophobicContact CZ-CD2 3.68Å; F1267-L1270 PolarHBondContact O-N 3.01Å; F1267-L1270 VanDerWaalsContact O-N 3.12Å; L1270-L1272 PolarHBondContact O-N 3.41Å; L1270-L1272 VanDerWaalsContact O-N 3.16Å; L1270-F1273 PolarHBondContact O-N 3.03Å; L1270-V1274 HydrophobicContact CG-CG2 4.31Å; L1270-V1274 PolarHBondContact O-N 3.11Å |
| 1271 | C | 36.3 | Very low | 37 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -13 | 172.7 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1272 | L | 37.6 | Very low | 37 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.6 | 171.3 | -78.6 | 168.9 | 0 | 0 | 0 | 113.8 | L1270 S1275 | L1270-L1272 PolarHBondContact O-N 3.41Å; L1270-L1272 VanDerWaalsContact O-N 3.16Å; L1272-S1275 WeakPolarHBondContact CA-OG 3.38Å; L1272-S1275 PolarHBondContact O-OG 3.48Å |
| 1273 | F | 36.2 | Very low | 37 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 51% | 0.513 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.7 | -43.8 | 175.3 | -169 | -111.2 | 0 | 0 | 0 | 111.5 | K1269 L1270 S1275 R1276 I1277 | K1269-F1273 WeakPolarHBondContact O-CB 3.12Å; K1269-F1273 PolarHBondContact O-N 3.33Å; L1270-F1273 PolarHBondContact O-N 3.03Å; F1273-S1275 PolarHBondContact O-N 3.32Å; F1273-R1276 PolarHBondContact O-N 3.13Å; F1273-I1277 HydrophobicContact CE2-CD1 3.93Å; F1273-I1277 HydrophobicContact CZ-CD1 3.92Å; F1273-I1277 PolarHBondContact O-N 3.33Å |
| 1274 | V | 38.2 | Very low | 37 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 61% | 0.606 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -23.8 | 169 | 179 | 0 | 0 | 0 | 0 | 111.3 | L1270 R1276 | L1270-V1274 HydrophobicContact CG-CG2 4.31Å; L1270-V1274 PolarHBondContact O-N 3.11Å; V1274-R1276 PolarHBondContact O-N 3.49Å |
| 1275 | S | 38.2 | Very low | 36.7 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 52% | 0.524 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | 3.2 | 173.6 | 70.7 | 0 | 0 | 0 | 0 | 115 | L1272 F1273 | L1272-S1275 WeakPolarHBondContact CA-OG 3.38Å; L1272-S1275 PolarHBondContact O-OG 3.48Å; F1273-S1275 PolarHBondContact O-N 3.32Å |
| 1276 | R | 37.9 | Very low | 36.6 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -16.8 | 179.8 | -74.7 | -169.5 | 168.4 | -177.9 | -3.5 | 116.4 | F1273 V1274 | F1273-R1276 PolarHBondContact O-N 3.13Å; V1274-R1276 PolarHBondContact O-N 3.49Å |
| 1277 | I | 38.9 | Very low | 36.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 51% | 0.508 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -145.5 | 100.3 | 179.1 | -50.8 | 176.3 | 0 | 0 | 0 | 106.2 | F1273 | F1273-I1277 HydrophobicContact CE2-CD1 3.93Å; F1273-I1277 HydrophobicContact CZ-CD1 3.92Å; F1273-I1277 PolarHBondContact O-N 3.33Å |
| 1278 | L | 35.4 | Very low | 36.6 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | cis | -137.7 | 148.7 | 32.7 | -71.8 | 114.1 | 0 | 0 | 0 | 108.8 | ||||
| 1279 | K | 31.1 | Very low | 36.4 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | cis | 63.3 | 115.5 | 21.8 | -85.6 | -170.9 | 174.3 | -175.6 | 0 | 115.7 | ||||
| 1280 | W | 33.9 | Very low | 36.2 | Very low | 236 Ų | 236 | 126.2 Ų | 126.2 | 89% | 0.894 | 68% | 0.684 | S | S | * | * | trans | 74.4 | 125 | -167.5 | -58.6 | 66.6 | 0 | 0 | 0 | 111.9 | ||||
| 1281 | T | 36.5 | Very low | 36.1 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | cis | -153.6 | 147.3 | 2.9 | 4.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1282 | S | 36.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | 21.2 | 136.8 | 149.4 | 59.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1283 | T | 37.8 | Very low | 35.7 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | cis | -141.2 | 138.1 | 11.2 | 46.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1284 | L | 38.9 | Very low | 35.9 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | 61.6 | 144.8 | 71.6 | -92.2 | 84.1 | 0 | 0 | 0 | 115.2 | |||||
| 1285 | P | 37.4 | Very low | 35.7 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | cis | -144.4 | -177.1 | -7.3 | 33.9 | -10.9 | 0 | 0 | 0 | 118 | ||||
| 1286 | L | 36.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | 82.2 | 143 | 164.4 | -50.6 | -168.8 | 0 | 0 | 0 | 115.9 | ||||
| 1287 | L | 36.6 | Very low | 35.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | cis | -146.4 | 178.6 | -7.1 | -119.4 | 171.6 | 0 | 0 | 0 | 113.1 | ||||
| 1288 | S | 35 | Very low | 34.9 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | trans | -36.7 | 143.9 | 173.2 | 53 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1289 | S | 32.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | 74.9 | 152.5 | 39.9 | 92.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1290 | S | 31.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | cis | -173.4 | 177.3 | -6 | 31.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1291 | S | 34.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 71.2 | 157.6 | 164.6 | 77.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1292 | S | 35.9 | Very low | 34.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -165 | 160 | -17.9 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1293 | S | 29.7 | Very low | 34.1 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -26.9 | 155.9 | 156 | -153.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1294 | P | 39.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | cis | -156.7 | 176 | 35.8 | 46 | -24.8 | 0 | 0 | 0 | 121.3 | ||||
| 1295 | N | 34.8 | Very low | 33 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 61.1 | 154.3 | 138.2 | -74.8 | -1.5 | 0 | 0 | 0 | 122.6 | ||||
| 1296 | V | 32.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | cis | -165 | 169 | -15.8 | 113.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1297 | K | 32.8 | Very low | 32 | Very low | 169 Ų | 169 | 124 Ų | 124 | 74% | 0.735 | 73% | 0.727 | S | S | * | * | trans | 108 | 107.5 | 171.9 | -62.3 | -160.7 | 178.1 | 180 | 0 | 114.1 | ||||
| 1298 | Q | 32.6 | Very low | 31.7 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | 70.2 | 130.7 | 83.8 | -71.5 | 172.3 | -52.7 | 0 | 0 | 112.7 | |||||
| 1299 | S | 29.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | cis | -157.7 | 156 | -6.5 | 45 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1300 | Y | 31.9 | Very low | 31.3 | Very low | 210 Ų | 210 | 125.3 Ų | 125.3 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | 177.1 | 158.1 | 97.1 | -100.2 | -77.1 | 0 | 0 | 0 | 110.5 | |||||
| 1301 | L | 33.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 62.6 | 99.5 | 175.1 | -51.5 | 177.9 | 0 | 0 | 0 | 114.6 | ||||
| 1302 | L | 31.7 | Very low | 31 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 63.4 | 134.1 | 81.4 | -65.4 | 172.8 | 0 | 0 | 0 | 113.6 | |||||
| 1303 | S | 29.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | cis | -170.5 | 125.6 | -11.4 | 44 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1304 | S | 27 | Very low | 30.8 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | 35.5 | 99.1 | 93.3 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1305 | S | 27.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | 98.4 | -178.9 | 87.1 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1306 | I | 27.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 88.3 | 82 | 170.2 | -53.7 | 168.1 | 0 | 0 | 0 | 117.4 | ||||
| 1307 | S | 26.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 59.5 | -156.3 | 139 | 60.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1308 | P | 30.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | -113.6 | -160.6 | -103.5 | 36.6 | -18.7 | 0 | 0 | 0 | 112.1 | |||||
| 1309 | S | 26.6 | Very low | 30 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | 54.9 | 69 | 151.7 | 60.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1310 | L | 31.7 | Very low | 29.9 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | -169.5 | 135.2 | 125.9 | -125.8 | 68.2 | 0 | 0 | 0 | 110.4 | |||||
| 1311 | R | 30.5 | Very low | 29.8 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -149.5 | 128.5 | -31.5 | -114.6 | -178 | -174.5 | -167.8 | 2.5 | 102.6 | ||||
| 1312 | K | 29.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | 43.5 | 110.7 | 83.5 | -167 | 179.7 | -174.6 | 178.6 | 0 | 111 | |||||
| 1313 | Q | 30.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 78.2 | 126.9 | -162.7 | -53 | 158.6 | -37.6 | 0 | 0 | 111.2 | ||||
| 1314 | M | 29.8 | Very low | 29.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | cis | -121.9 | 123.3 | 1.2 | -66.1 | -176.5 | 76 | 0 | 0 | 109.2 | ||||
| 1315 | L | 31.7 | Very low | 29 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 63% | 0.634 | 76% | 0.759 | S | S | * | * | 62.3 | 102.6 | 92.5 | -57.8 | 164.3 | 0 | 0 | 0 | 110.3 | |||||
| 1316 | D | 30.8 | Very low | 29 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | 90.1 | 157.9 | 78.7 | -67.8 | -7.7 | 0 | 0 | 0 | 110.7 | |||||
| 1317 | G | 32.1 | Very low | 28.8 | Very low | 59 Ų | 59 | 139 Ų | 139 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | 90.6 | 95.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1318 | E | 30.5 | Very low | 28.9 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | 81.4 | 138.7 | 64.2 | -64.9 | 172.9 | 142.5 | 0 | 0 | 113.9 | |||||
| 1319 | D | 30.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 59.1 | 149.5 | 162.4 | -67.8 | -10.7 | 0 | 0 | 0 | 120.5 | ||||
| 1320 | L | 27.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -145.4 | 142 | 18.4 | -165.2 | 72.3 | 0 | 0 | 0 | 111.9 | ||||
| 1321 | N | 28.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 142.5 | 163.2 | -84.1 | -48.8 | 0 | 0 | 0 | 110.2 | ||||
| 1322 | C | 25.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -154.7 | 70 | 162.6 | -141.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1323 | H | 27.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -117.4 | 152.8 | 143.2 | -115 | -92.8 | 0 | 0 | 0 | 107 | ||
| 1324 | T | 28.4 | Very low | 28.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | 68 | 75.4 | 171.2 | -43.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1325 | L | 24.8 | Very low | 28.3 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -147.1 | 87.8 | 147.7 | -120 | 177.4 | 0 | 0 | 0 | 110.8 | L1327 | L1325-L1327 HydrophobicContact CD2-CB 4.37Å; L1325-L1327 HydrophobicContact CD2-CD1 3.88Å; L1325-L1327 HydrophobicContact CD2-CG 4.01Å; L1325-L1327 PolarHBondContact O-N 3.32Å | ||
| 1326 | G | 26.7 | Very low | 28.3 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -89.5 | 93.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1327 | L | 24 | Very low | 28.2 | Very low | 143 Ų | 143 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 131.5 | 168.4 | -78.5 | -180 | 0 | 0 | 0 | 110.8 | L1325 | L1325-L1327 HydrophobicContact CD2-CB 4.37Å; L1325-L1327 HydrophobicContact CD2-CD1 3.88Å; L1325-L1327 HydrophobicContact CD2-CG 4.01Å; L1325-L1327 PolarHBondContact O-N 3.32Å | ||
| 1328 | S | 28.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -72 | 136.3 | 172.1 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1329 | K | 24.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | -142.9 | 130.8 | 158.1 | -66.1 | -173.4 | 172 | -167.4 | 0 | 108.6 | ||||
| 1330 | Q | 29.7 | Very low | 28.1 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | cis | 44.5 | 96.2 | 5.6 | -76.2 | -165.4 | -12.7 | 0 | 0 | 116 | ||
| 1331 | Q | 26.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 76.1 | 153.9 | 161.1 | -51.9 | 172.8 | -40 | 0 | 0 | 117.3 | ||
| 1332 | F | 28 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 62.2 | 77.1 | 171.4 | -55.2 | -73.1 | 0 | 0 | 0 | 117.7 | N1334 | F1332-N1334 HydrophobicContact CD1-CB 4.25Š| ||
| 1333 | T | 24.6 | Very low | 28.5 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | -94.1 | 124.5 | 110.9 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1334 | N | 30.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | -158.9 | 131.7 | 169.6 | -128.8 | 25.9 | 0 | 0 | 0 | 107.1 | F1332 | F1332-N1334 HydrophobicContact CD1-CB 4.25Š| ||
| 1335 | S | 32.1 | Very low | 28.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 56.2 | 152.1 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 1336 | D | 31.2 | Very low | 29 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | -165.7 | 114.4 | -40.4 | -102.4 | -47.6 | 0 | 0 | 0 | 105.6 | ||||
| 1337 | D | 30.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -153.2 | 112.8 | 163.9 | -130.7 | -33.6 | 0 | 0 | 0 | 110.3 | ||||
| 1338 | T | 30.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | -114.4 | 84.2 | -153.5 | 39.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1339 | S | 30.1 | Very low | 29.3 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -144.5 | -34.9 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1340 | L | 28.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -98.7 | -15.5 | -163.9 | -135.9 | 79.6 | 0 | 0 | 0 | 117.4 | ||
| 1341 | F | 31.4 | Very low | 29.8 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | trans | -114.1 | 1.2 | -167.8 | -91.2 | -97.5 | 0 | 0 | 0 | 116.7 | N1343 I1344 | F1341-N1343 PolarHBondContact O-N 2.77Å; F1341-I1344 HydrophobicContact CD1-CD1 3.72Å; F1341-I1344 HydrophobicContact CD1-CG1 4.25Å; F1341-I1344 HydrophobicContact CE1-CD1 3.73Å; F1341-I1344 PolarHBondContact O-N 3.19Å | ||
| 1342 | N | 30.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 31 | -177.5 | -75.5 | -7 | 0 | 0 | 0 | 115.4 | ||
| 1343 | N | 30 | Very low | 32 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 3.6 | 173.3 | -93.2 | -53.8 | 0 | 0 | 0 | 113.7 | F1341 | F1341-N1343 PolarHBondContact O-N 2.77Š|
| 1344 | I | 33.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | trans | -110.3 | 44.4 | -170.4 | -41.6 | -166.7 | 0 | 0 | 0 | 112.3 | F1341 I1347 | F1341-I1344 HydrophobicContact CD1-CD1 3.72Å; F1341-I1344 HydrophobicContact CD1-CG1 4.25Å; F1341-I1344 HydrophobicContact CE1-CD1 3.73Å; F1341-I1344 PolarHBondContact O-N 3.19Å; I1344-I1347 HydrophobicContact CG2-CD1 4.1Å | ||
| 1345 | Q | 29.1 | Very low | 34 | Very low | 207 Ų | 207 | 116.5 Ų | 116.5 | 97% | 0.967 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -119.9 | 17.3 | 170.3 | -104 | -173 | -3.7 | 0 | 0 | 113.9 | ||
| 1346 | S | 28.1 | Very low | 35.3 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | trans | -120.1 | 0.1 | -174.5 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | G1348 | S1346-G1348 PolarHBondContact O-N 3.09Š| ||
| 1347 | I | 32.2 | Very low | 36.9 | Very low | 93 Ų | 93 | 111.7 Ų | 111.7 | 48% | 0.477 | 61% | 0.609 | S | S | . | * | trans | -95.5 | 76.4 | -166.8 | -48.8 | -174.4 | 0 | 0 | 0 | 111.9 | I1344 M1350 | I1344-I1347 HydrophobicContact CG2-CD1 4.1Å; I1347-M1350 HydrophobicContact CG2-CG 3.44Å; I1347-M1350 VanDerWaalsContact CG2-CG 3.44Å; I1347-M1350 HydrophobicContact CG2-SD 3.47Å; I1347-M1350 WeakPolarHBondContact CG2-SD 3.11Å | ||
| 1348 | G | 26.6 | Very low | 39.2 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 62% | 0.619 | 57% | 0.574 | S | S | * | * | trans | -71.5 | 145.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1346 M1350 | S1346-G1348 PolarHBondContact O-N 3.09Å; G1348-M1350 PolarHBondContact O-N 3.21Å | ||
| 1349 | L | 27.2 | Very low | 41.9 | Very low | 177 Ų | 177 | 99.6 Ų | 99.6 | 93% | 0.927 | 54% | 0.542 | S | S | * | . | trans | 42 | 62.9 | 160.8 | -70.2 | 129.6 | 0 | 0 | 0 | 116.8 | N1351 | L1349-N1351 PolarHBondContact O-N 3.33Š| ||
| 1350 | M | 31 | Very low | 44.7 | Very low | 96 Ų | 96 | 94.9 Ų | 94.9 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | trans | -78.2 | 118 | 172.2 | -62.4 | -146.9 | 75.2 | 0 | 0 | 112.8 | K1168 I1347 G1348 K1352 | K1168-M1350 HydrophobicContact CB-CE 4.33Å; K1168-M1350 HydrophobicContact CD-CE 3.92Å; K1168-M1350 HydrophobicContact CG-CE 3.67Å; I1347-M1350 HydrophobicContact CG2-CG 3.44Å; I1347-M1350 VanDerWaalsContact CG2-CG 3.44Å; I1347-M1350 HydrophobicContact CG2-SD 3.47Å; I1347-M1350 WeakPolarHBondContact CG2-SD 3.11Å; G1348-M1350 PolarHBondContact O-N 3.21Å; M1350-K1352 PolarHBondContact O-N 2.05Å | ||
| 1351 | N | 34.3 | Very low | 47.6 | Very low | 72 Ų | 72 | 87.7 Ų | 87.7 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | trans | -62.4 | 122 | 169.6 | -47.1 | -83.1 | 0 | 0 | 0 | 110.1 | R1173 L1349 | R1173-N1351 PolarHBondContact NH2-OD1 3.02Å; L1349-N1351 PolarHBondContact O-N 3.33Å | ||
| 1352 | K | 47.4 | Very low | 50.2 | Low | 179 Ų | 179 | 81.8 Ų | 81.8 | 78% | 0.778 | 45% | 0.446 | S | S | * | . | trans | -107.6 | 122.6 | 172.9 | -71.8 | -177.8 | 177.1 | 178.4 | 0 | 109.8 | M1350 | M1350-K1352 PolarHBondContact O-N 2.05Š| ||
| 1353 | V | 52.1 | Low | 52.9 | Low | 34 Ų | 34 | 77.5 Ų | 77.5 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | trans | -79 | 146.9 | 173.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | W1167 Y1180 T1207 S1357 | W1167-V1353 HydrophobicContact CE3-CB 4.4Å; W1167-V1353 HydrophobicContact CE3-CG2 3.82Å; W1167-V1353 HydrophobicContact CZ3-CB 4.28Å; W1167-V1353 HydrophobicContact CZ3-CG1 4.14Å; W1167-V1353 HydrophobicContact CZ3-CG2 3.9Å; Y1180-V1353 HydrophobicContact CE2-CG2 3.52Å; Y1180-V1353 VanDerWaalsContact OH-CG2 3.29Å; Y1180-V1353 WeakPolarHBondContact OH-CG2 3.26Å; T1207-V1353 HydrophobicContact CG2-CG1 4.44Å; V1353-S1357 WeakPolarHBondContact CG1-OG 3.36Å | ||
| 1354 | A | 47.6 | Very low | 55.5 | Low | 22 Ų | 22 | 71.9 Ų | 71.9 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | trans | -59.7 | 131.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1210 E1356 S1357 | M1210-A1354 HydrophobicContact CG-CB 4.11Å; A1354-E1356 PolarHBondContact O-N 2.9Å; A1354-S1357 PolarHBondContact O-N 2.81Å; A1354-S1357 PolarHBondContact O-OG 3.28Å | ||
| 1355 | P | 49.5 | Very low | 57.7 | Low | 100 Ų | 100 | 69.1 Ų | 69.1 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26 | -178 | -28 | 36 | 0 | 0 | 0 | 114.5 | K1159 | K1159-P1355 PolarHBondContact NZ-O 3.33Š|
| 1356 | E | 59.9 | Low | 59.8 | Low | 134 Ų | 134 | 63.8 Ų | 63.8 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 17.5 | -172.3 | -54.5 | -164.8 | 147.5 | 0 | 0 | 113.7 | T1245 A1354 | T1245-E1356 HydrophobicContact CG2-CB 3.95Å; T1245-E1356 HydrophobicContact CG2-CG 4.2Å; A1354-E1356 PolarHBondContact O-N 2.9Å |
| 1357 | S | 65.1 | Low | 62.1 | Low | 8 Ų | 8 | 66.1 Ų | 66.1 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | trans | -63.9 | 144.2 | 173.9 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | V1353 A1354 | V1353-S1357 WeakPolarHBondContact CG1-OG 3.36Å; A1354-S1357 PolarHBondContact O-N 2.81Å; A1354-S1357 PolarHBondContact O-OG 3.28Å | ||
| 1358 | P | 79 | Confident | 64 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | trans | -65 | 148.8 | 167.4 | 28.4 | -33.6 | 0 | 0 | 0 | 110.3 | F1220 V1242 | F1220-P1358 HydrophobicContact CD1-CG 4.07Å; F1220-P1358 HydrophobicContact CE1-CB 4.05Å; F1220-P1358 HydrophobicContact CE1-CG 3.76Å; F1220-P1358 WeakPolarHBondContact CE1-O 3.31Å; F1220-P1358 WeakPolarHBondContact CZ-O 3.47Å; V1242-P1358 VanDerWaalsContact O-CA 3.27Å; V1242-P1358 WeakPolarHBondContact O-CA 3.35Å | ||
| 1359 | L | 86.9 | Confident | 66.4 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.4 | -177.5 | -44.7 | 175.7 | 0 | 0 | 0 | 109.9 | W1167 I1205 T1207 L1241 V1242 I1361 | W1167-L1359 HydrophobicContact CH2-CD2 4.31Å; I1205-L1359 HydrophobicContact CG2-CB 4.1Å; I1205-L1359 HydrophobicContact CG2-CD1 4.44Å; I1205-L1359 HydrophobicContact CG2-CD2 4.36Å; T1207-L1359 HydrophobicContact CG2-CD2 3.51Å; L1241-L1359 CarbonylContact C-O 3.28Å; L1241-L1359 WeakPolarHBondContact CA-O 3.2Å; V1242-L1359 HydrophobicContact CB-CB 3.95Å; V1242-L1359 HydrophobicContact CB-CD1 4.13Å; V1242-L1359 HydrophobicContact CB-CG 4.12Å; V1242-L1359 HydrophobicContact CG1-CD1 4.46Å; V1242-L1359 HydrophobicContact CG2-CB 4.09Å; V1242-L1359 HydrophobicContact CG2-CD1 4.09Å; V1242-L1359 HydrophobicContact CG2-CG 4.46Å; V1242-L1359 PolarHBondContact N-O 3.38Å; V1242-L1359 PolarHBondContact O-N 2.97Å; L1359-I1361 HydrophobicContact CB-CD1 3.96Å |
| 1360 | V | 88 | Confident | 69.1 | Low | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.5 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | I1205 K1206 F1220 A1224 L1238 M1362 | I1205-V1360 WeakPolarHBondContact CA-O 3.46Å; K1206-V1360 HydrophobicContact CB-CB 4.31Å; K1206-V1360 PolarHBondContact N-O 2.81Å; K1206-V1360 PolarHBondContact O-N 3.01Å; F1220-V1360 HydrophobicContact CD1-CG2 4.31Å; F1220-V1360 HydrophobicContact CE1-CG2 3.7Å; F1220-V1360 HydrophobicContact CE2-CG2 4.37Å; F1220-V1360 HydrophobicContact CZ-CG2 3.75Å; A1224-V1360 HydrophobicContact CB-CB 4.44Å; A1224-V1360 HydrophobicContact CB-CG1 3.91Å; A1224-V1360 HydrophobicContact CB-CG2 3.64Å; L1238-V1360 HydrophobicContact CD1-CG1 3.79Å; V1360-M1362 HydrophobicContact CG1-CE 3.96Å |
| 1361 | I | 89.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.2 | -175.8 | -44.3 | -59.1 | 0 | 0 | 0 | 108.6 | I1157 V1162 V1184 V1203 I1205 L1239 G1240 V1242 L1359 | I1157-I1361 HydrophobicContact CD1-CB 4.46Å; I1157-I1361 HydrophobicContact CD1-CG1 4.41Å; V1162-I1361 HydrophobicContact CG1-CD1 4.17Å; V1162-I1361 HydrophobicContact CG2-CD1 4.46Å; V1184-I1361 HydrophobicContact CG2-CG2 3.84Å; V1203-I1361 HydrophobicContact CB-CG2 3.75Å; V1203-I1361 HydrophobicContact CG1-CG2 3.84Å; V1203-I1361 HydrophobicContact CG2-CG2 3.81Å; I1205-I1361 HydrophobicContact CB-CD1 4.41Å; I1205-I1361 HydrophobicContact CD1-CD1 4.3Å; I1205-I1361 HydrophobicContact CG1-CD1 3.92Å; I1205-I1361 HydrophobicContact CG2-CD1 3.97Å; L1239-I1361 HydrophobicContact CB-CG2 4.28Å; L1239-I1361 PolarHBondContact N-O 3.4Å; G1240-I1361 PolarHBondContact N-O 2.92Å; G1240-I1361 WeakPolarHBondContact O-CA 3.42Å; G1240-I1361 VanDerWaalsContact O-CB 3.28Å; G1240-I1361 WeakPolarHBondContact O-CB 3.39Å; G1240-I1361 PolarHBondContact O-N 2.83Å; V1242-I1361 HydrophobicContact CG2-CD1 4.15Å; V1242-I1361 HydrophobicContact CG2-CG1 4.15Å; L1359-I1361 HydrophobicContact CB-CD1 3.96Å |
| 1362 | M | 87.7 | Confident | 73.7 | Confident | 26 Ų | 26 | 53 Ų | 53 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 163.8 | -173.3 | 62.1 | 179.5 | 62.7 | 0 | 0 | 111.8 | A1204 K1206 M1227 V1236 V1360 L1364 | A1204-M1362 HydrophobicContact CB-CG 3.78Å; A1204-M1362 HydrophobicContact CB-SD 4.46Å; A1204-M1362 PolarHBondContact N-O 3.04Å; A1204-M1362 WeakPolarHBondContact O-CG 3.28Å; A1204-M1362 PolarHBondContact O-N 3.06Å; K1206-M1362 HydrophobicContact CB-CE 3.93Å; K1206-M1362 HydrophobicContact CD-CE 4.05Å; M1227-M1362 HydrophobicContact CE-CB 4.33Å; M1227-M1362 HydrophobicContact CE-CE 4.39Å; M1227-M1362 HydrophobicContact SD-CE 4.44Å; V1236-M1362 HydrophobicContact CG1-CB 3.92Å; V1236-M1362 HydrophobicContact CG1-SD 4.47Å; V1360-M1362 HydrophobicContact CG1-CE 3.96Å; M1362-L1364 PolarHBondContact O-N 3.43Å |
| 1363 | Q | 85.8 | Confident | 75.5 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 133.6 | 176.4 | -171.4 | 168.5 | 21.3 | 0 | 0 | 111.8 | R1237 M1365 | R1237-Q1363 PolarHBondContact O-N 3.45Å; Q1363-M1365 HydrophobicContact CB-SD 4.25Å; Q1363-M1365 HydrophobicContact CG-SD 4.1Å; Q1363-M1365 VanDerWaalsContact O-SD 3.41Å |
| 1364 | L | 85 | Confident | 77.1 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | trans | -81.7 | 119.4 | 178.6 | -179 | 66.8 | 0 | 0 | 0 | 111.7 | I1171 K1181 P1202 A1204 M1362 A1366 | I1171-L1364 HydrophobicContact CD1-CD1 3.56Å; K1181-L1364 HydrophobicContact CD-CD2 3.92Å; K1181-L1364 HydrophobicContact CG-CD1 4.19Å; K1181-L1364 HydrophobicContact CG-CD2 3.87Å; P1202-L1364 HydrophobicContact CB-CD2 3.93Å; P1202-L1364 WeakPolarHBondContact O-CB 3.42Å; A1204-L1364 HydrophobicContact CB-CD1 4Å; M1362-L1364 PolarHBondContact O-N 3.43Å; L1364-A1366 PolarHBondContact O-N 2.86Å; L1364-A1366 VanDerWaalsContact O-N 3.14Å | ||
| 1365 | M | 81 | Confident | 78.8 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | trans | -85.6 | 91.4 | 175.9 | -46.6 | -30.3 | -62.8 | 0 | 0 | 110 | Q1363 K1367 G1368 S1412 L1413 | Q1363-M1365 HydrophobicContact CB-SD 4.25Å; Q1363-M1365 HydrophobicContact CG-SD 4.1Å; Q1363-M1365 VanDerWaalsContact O-SD 3.41Å; M1365-K1367 PolarHBondContact O-N 2.97Å; M1365-G1368 PolarHBondContact O-N 3.45Å; M1365-S1412 WeakPolarHBondContact CE-O 3.21Å; M1365-S1412 WeakPolarHBondContact CG-OG 3.33Å; M1365-L1413 HydrophobicContact CE-CB 3.77Å; M1365-L1413 WeakPolarHBondContact CE-O 3.38Å | ||
| 1366 | A | 71.9 | Confident | 80.4 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 79% | 0.785 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116 | L1364 | L1364-A1366 PolarHBondContact O-N 2.86Å; L1364-A1366 VanDerWaalsContact O-N 3.14Å |
| 1367 | K | 75.6 | Confident | 81.5 | Confident | 148 Ų | 148 | 45.4 Ų | 45.4 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 3.2 | 174.8 | -65.5 | -62.5 | -170.2 | 175.3 | 0 | 113.9 | M1365 Y1373 | M1365-K1367 PolarHBondContact O-N 2.97Å; K1367-Y1373 HydrophobicContact CB-CD2 4.06Å; K1367-Y1373 HydrophobicContact CB-CE2 4.44Å; K1367-Y1373 HydrophobicContact CD-CD2 4.4Å; K1367-Y1373 HydrophobicContact CD-CE2 4.06Å; K1367-Y1373 HydrophobicContact CG-CD2 4.5Å; K1367-Y1373 HydrophobicContact CG-CE2 4.37Å |
| 1368 | G | 73.3 | Confident | 82.1 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | trans | 79.4 | -161.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1365 L1413 | M1365-G1368 PolarHBondContact O-N 3.45Å; G1368-L1413 WeakPolarHBondContact O-CD1 3.35Å | ||
| 1369 | D | 76.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -76.6 | 164.2 | 168.6 | 65.6 | 94.9 | 0 | 0 | 0 | 111.8 | A1371 S1372 Y1373 | D1369-A1371 VanDerWaalsContact C-N 3.34Å; D1369-A1371 PolarHBondContact O-N 3.32Å; D1369-A1371 WeakPolarHBondContact OD1-CA 3.44Å; D1369-A1371 WeakPolarHBondContact OD1-CB 3.17Å; D1369-A1371 PolarHBondContact OD1-N 3.35Å; D1369-S1372 VanDerWaalsContact CG-OG 3.32Å; D1369-S1372 PolarHBondContact O-N 3.11Å; D1369-S1372 PolarHBondContact OD1-N 3.01Å; D1369-S1372 PolarHBondContact OD1-OG 2.92Å; D1369-S1372 WeakPolarHBondContact OD2-CB 3.49Å; D1369-S1372 PolarHBondContact OD2-OG 3.34Å; D1369-Y1373 PolarHBondContact O-N 2.8Å | ||
| 1370 | L | 83.9 | Confident | 81.8 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -36 | -178.1 | -177.3 | 65.4 | 0 | 0 | 0 | 112.8 | Y1373 L1374 W1393 I1397 V1415 I1471 | L1370-Y1373 PolarHBondContact O-N 3.05Å; L1370-L1374 HydrophobicContact CD1-CD1 4.35Å; L1370-L1374 HydrophobicContact CD1-CG 4.17Å; L1370-L1374 HydrophobicContact CD2-CD1 4.28Å; L1370-L1374 HydrophobicContact CG-CD1 3.82Å; L1370-L1374 HydrophobicContact CG-CG 4.14Å; L1370-L1374 WeakPolarHBondContact O-CB 3.39Å; L1370-L1374 VanDerWaalsContact O-CG 3.27Å; L1370-L1374 WeakPolarHBondContact O-CG 3.44Å; L1370-L1374 PolarHBondContact O-N 3.05Å; L1370-W1393 HydrophobicContact CD1-CD2 4.35Å; L1370-W1393 HydrophobicContact CD1-CE3 4.04Å; L1370-W1393 HydrophobicContact CD1-CZ3 4.16Å; L1370-I1397 HydrophobicContact CD2-CD1 4.49Å; L1370-V1415 HydrophobicContact CD1-CG1 4.4Å; L1370-V1415 HydrophobicContact CD1-CG2 4.13Å; L1370-V1415 HydrophobicContact CD2-CG1 3.7Å; L1370-V1415 HydrophobicContact CG-CG1 4.46Å; L1370-I1471 HydrophobicContact CD2-CD1 4.17Å; L1370-I1471 HydrophobicContact CD2-CG1 3.95Å |
| 1371 | A | 82.5 | Confident | 81 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.2 | -40.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1369 Y1373 R1375 A1475 | D1369-A1371 VanDerWaalsContact C-N 3.34Å; D1369-A1371 PolarHBondContact O-N 3.32Å; D1369-A1371 WeakPolarHBondContact OD1-CA 3.44Å; D1369-A1371 WeakPolarHBondContact OD1-CB 3.17Å; D1369-A1371 PolarHBondContact OD1-N 3.35Å; A1371-Y1373 VanDerWaalsContact C-N 3.35Å; A1371-R1375 VanDerWaalsContact O-CG 3.31Å; A1371-R1375 WeakPolarHBondContact O-CG 3.15Å; A1371-R1375 PolarHBondContact O-N 3.29Å; A1371-R1375 VanDerWaalsContact O-N 3.07Å; A1371-A1475 HydrophobicContact CB-CB 3.67Å |
| 1372 | S | 80.3 | Confident | 80 | Confident | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 169.9 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | D1369 Y1376 | D1369-S1372 VanDerWaalsContact CG-OG 3.32Å; D1369-S1372 PolarHBondContact O-N 3.11Å; D1369-S1372 PolarHBondContact OD1-N 3.01Å; D1369-S1372 PolarHBondContact OD1-OG 2.92Å; D1369-S1372 WeakPolarHBondContact OD2-CB 3.49Å; D1369-S1372 PolarHBondContact OD2-OG 3.34Å; S1372-Y1376 WeakPolarHBondContact O-CB 3.05Å; S1372-Y1376 PolarHBondContact O-N 3.35Å |
| 1373 | Y | 83.8 | Confident | 78.8 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 24% | 0.239 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 177.2 | -171.6 | -111.1 | 0 | 0 | 0 | 112.7 | K1367 D1369 L1370 A1371 Y1376 L1377 W1393 | K1367-Y1373 HydrophobicContact CB-CD2 4.06Å; K1367-Y1373 HydrophobicContact CB-CE2 4.44Å; K1367-Y1373 HydrophobicContact CD-CD2 4.4Å; K1367-Y1373 HydrophobicContact CD-CE2 4.06Å; K1367-Y1373 HydrophobicContact CG-CD2 4.5Å; K1367-Y1373 HydrophobicContact CG-CE2 4.37Å; D1369-Y1373 PolarHBondContact O-N 2.8Å; L1370-Y1373 PolarHBondContact O-N 3.05Å; A1371-Y1373 VanDerWaalsContact C-N 3.35Å; Y1373-Y1376 HydrophobicContact CD2-CD1 4.36Å; Y1373-Y1376 HydrophobicContact CE2-CD1 4.27Å; Y1373-Y1376 WeakPolarHBondContact O-CB 3.14Å; Y1373-Y1376 PolarHBondContact O-N 3.07Å; Y1373-L1377 HydrophobicContact CD1-CD1 4.26Å; Y1373-L1377 HydrophobicContact CE1-CD1 3.81Å; Y1373-L1377 HydrophobicContact CE1-CD2 4.42Å; Y1373-L1377 HydrophobicContact CE1-CG 4.21Å; Y1373-L1377 WeakPolarHBondContact O-CG 3.5Å; Y1373-L1377 PolarHBondContact O-N 3.22Å; Y1373-W1393 HydrophobicContact CD1-CH2 4.12Å; Y1373-W1393 HydrophobicContact CD1-CZ2 4.38Å; Y1373-W1393 AromaticContact CE1-CH2 3.89Å; Y1373-W1393 HydrophobicContact CE1-CH2 3.89Å; Y1373-W1393 AromaticContact CE1-CZ2 3.97Å; Y1373-W1393 HydrophobicContact CE1-CZ2 3.97Å |
| 1374 | L | 85.8 | Confident | 78.1 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.8 | -76.3 | 167.5 | 0 | 0 | 0 | 111.5 | L1370 Y1376 L1377 G1378 V1385 W1393 I1471 M1474 A1475 | L1370-L1374 HydrophobicContact CD1-CD1 4.35Å; L1370-L1374 HydrophobicContact CD1-CG 4.17Å; L1370-L1374 HydrophobicContact CD2-CD1 4.28Å; L1370-L1374 HydrophobicContact CG-CD1 3.82Å; L1370-L1374 HydrophobicContact CG-CG 4.14Å; L1370-L1374 WeakPolarHBondContact O-CB 3.39Å; L1370-L1374 VanDerWaalsContact O-CG 3.27Å; L1370-L1374 WeakPolarHBondContact O-CG 3.44Å; L1370-L1374 PolarHBondContact O-N 3.05Å; L1374-Y1376 VanDerWaalsContact C-N 3.34Å; L1374-Y1376 PolarHBondContact O-N 2.95Å; L1374-L1377 PolarHBondContact O-N 2.83Å; L1374-L1377 VanDerWaalsContact O-N 3.09Å; L1374-G1378 PolarHBondContact O-N 3.07Å; L1374-V1385 HydrophobicContact CD2-CG2 3.5Å; L1374-W1393 HydrophobicContact CD2-CZ3 3.86Å; L1374-I1471 HydrophobicContact CD1-CG1 4.28Å; L1374-M1474 WeakPolarHBondContact O-CE 3.45Å; L1374-A1475 HydrophobicContact CB-CB 3.97Å; L1374-A1475 HydrophobicContact CD1-CB 4Å |
| 1375 | R | 83.3 | Confident | 77.7 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.6 | -70.1 | 170.9 | -162.5 | 129.4 | 6.8 | 111.5 | A1371 L1377 G1378 D1379 M1474 A1475 | A1371-R1375 VanDerWaalsContact O-CG 3.31Å; A1371-R1375 WeakPolarHBondContact O-CG 3.15Å; A1371-R1375 PolarHBondContact O-N 3.29Å; A1371-R1375 VanDerWaalsContact O-N 3.07Å; R1375-L1377 VanDerWaalsContact C-N 3.28Å; R1375-L1377 PolarHBondContact O-N 3.25Å; R1375-G1378 CarbonylContact O-C 3.4Å; R1375-G1378 WeakPolarHBondContact O-CA 3.37Å; R1375-G1378 PolarHBondContact O-N 3.2Å; R1375-D1379 WeakPolarHBondContact O-CB 3.08Å; R1375-D1379 PolarHBondContact O-N 2.84Å; R1375-M1474 WeakPolarHBondContact CG-O 3.36Å; R1375-A1475 HydrophobicContact CG-CB 4.33Å; R1375-A1475 VanDerWaalsContact CZ-O 3.3Å; R1375-A1475 PolarHBondContact NE-O 2.97Å; R1375-A1475 PolarHBondContact NH2-O 2.81Å |
| 1376 | Y | 83.5 | Confident | 77.6 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 48% | 0.475 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -35.4 | 173.8 | 167.3 | -92.5 | 0 | 0 | 0 | 113.6 | S1372 Y1373 L1374 K1380 | S1372-Y1376 WeakPolarHBondContact O-CB 3.05Å; S1372-Y1376 PolarHBondContact O-N 3.35Å; Y1373-Y1376 HydrophobicContact CD2-CD1 4.36Å; Y1373-Y1376 HydrophobicContact CE2-CD1 4.27Å; Y1373-Y1376 WeakPolarHBondContact O-CB 3.14Å; Y1373-Y1376 PolarHBondContact O-N 3.07Å; L1374-Y1376 VanDerWaalsContact C-N 3.34Å; L1374-Y1376 PolarHBondContact O-N 2.95Å; Y1376-K1380 HydrophobicContact CE1-CG 4.15Å; Y1376-K1380 HydrophobicContact CE2-CG 4.13Å; Y1376-K1380 VanDerWaalsContact O-CB 3.28Å; Y1376-K1380 WeakPolarHBondContact O-CB 3.05Å; Y1376-K1380 WeakPolarHBondContact O-CG 3.29Å; Y1376-K1380 PolarHBondContact O-N 3.1Å; Y1376-K1380 VanDerWaalsContact O-N 3.08Å; Y1376-K1380 WeakPolarHBondContact OH-CE 3.31Å |
| 1377 | L | 82.8 | Confident | 78 | Confident | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 173.4 | -63.5 | -176.3 | 0 | 0 | 0 | 111.8 | Y1373 L1374 R1375 K1380 G1381 Q1382 W1393 M1474 | Y1373-L1377 HydrophobicContact CD1-CD1 4.26Å; Y1373-L1377 HydrophobicContact CE1-CD1 3.81Å; Y1373-L1377 HydrophobicContact CE1-CD2 4.42Å; Y1373-L1377 HydrophobicContact CE1-CG 4.21Å; Y1373-L1377 WeakPolarHBondContact O-CG 3.5Å; Y1373-L1377 PolarHBondContact O-N 3.22Å; L1374-L1377 PolarHBondContact O-N 2.83Å; L1374-L1377 VanDerWaalsContact O-N 3.09Å; R1375-L1377 VanDerWaalsContact C-N 3.28Å; R1375-L1377 PolarHBondContact O-N 3.25Å; L1377-K1380 CarbonylContact O-C 3.59Å; L1377-K1380 WeakPolarHBondContact O-CB 3.29Å; L1377-K1380 PolarHBondContact O-N 2.9Å; L1377-G1381 PolarHBondContact O-N 3.34Å; L1377-Q1382 HydrophobicContact CB-CB 4.41Å; L1377-Q1382 WeakPolarHBondContact O-CB 3.33Å; L1377-Q1382 PolarHBondContact O-N 2.97Å; L1377-W1393 HydrophobicContact CD1-CH2 4.2Å; L1377-M1474 HydrophobicContact CB-CE 3.79Å |
| 1378 | G | 78.9 | Confident | 78.1 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1374 R1375 K1380 G1381 | L1374-G1378 PolarHBondContact O-N 3.07Å; R1375-G1378 CarbonylContact O-C 3.4Å; R1375-G1378 WeakPolarHBondContact O-CA 3.37Å; R1375-G1378 PolarHBondContact O-N 3.2Å; G1378-K1380 PolarHBondContact O-N 3.28Å; G1378-G1381 WeakPolarHBondContact O-CA 3.41Å; G1378-G1381 PolarHBondContact O-N 2.88Å |
| 1379 | D | 80 | Confident | 78.6 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 75% | 0.754 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -24.7 | 175 | -63.4 | -26.6 | 0 | 0 | 0 | 112.3 | R1375 G1381 | R1375-D1379 WeakPolarHBondContact O-CB 3.08Å; R1375-D1379 PolarHBondContact O-N 2.84Å; D1379-G1381 VanDerWaalsContact C-N 3.26Å; D1379-G1381 PolarHBondContact O-N 2.86Å |
| 1380 | K | 78.9 | Confident | 79 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.7 | 172.2 | -80.3 | -78.5 | 174.1 | 179.9 | 0 | 114 | Y1376 L1377 G1378 Q1382 | Y1376-K1380 HydrophobicContact CE1-CG 4.15Å; Y1376-K1380 HydrophobicContact CE2-CG 4.13Å; Y1376-K1380 VanDerWaalsContact O-CB 3.28Å; Y1376-K1380 WeakPolarHBondContact O-CB 3.05Å; Y1376-K1380 WeakPolarHBondContact O-CG 3.29Å; Y1376-K1380 PolarHBondContact O-N 3.1Å; Y1376-K1380 VanDerWaalsContact O-N 3.08Å; Y1376-K1380 WeakPolarHBondContact OH-CE 3.31Å; L1377-K1380 CarbonylContact O-C 3.59Å; L1377-K1380 WeakPolarHBondContact O-CB 3.29Å; L1377-K1380 PolarHBondContact O-N 2.9Å; G1378-K1380 PolarHBondContact O-N 3.28Å; K1380-Q1382 VanDerWaalsContact C-N 3.31Å |
| 1381 | G | 71.3 | Confident | 79.1 | Confident | 67 Ų | 67 | 65 Ų | 65 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 4.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1377 G1378 D1379 G1383 | L1377-G1381 PolarHBondContact O-N 3.34Å; G1378-G1381 WeakPolarHBondContact O-CA 3.41Å; G1378-G1381 PolarHBondContact O-N 2.88Å; D1379-G1381 VanDerWaalsContact C-N 3.26Å; D1379-G1381 PolarHBondContact O-N 2.86Å; G1381-G1383 VanDerWaalsContact C-N 3.28Å; G1381-G1383 PolarHBondContact O-N 2.82Å |
| 1382 | Q | 67.6 | Low | 79.2 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | -82.3 | 79.3 | 170.9 | -63.6 | -172.5 | -19.6 | 0 | 0 | 108.7 | L1377 K1380 S1384 M1474 | L1377-Q1382 HydrophobicContact CB-CB 4.41Å; L1377-Q1382 WeakPolarHBondContact O-CB 3.33Å; L1377-Q1382 PolarHBondContact O-N 2.97Å; K1380-Q1382 VanDerWaalsContact C-N 3.31Å; Q1382-S1384 PolarHBondContact O-N 3.27Å; Q1382-M1474 WeakPolarHBondContact O-CE 3.3Å | ||
| 1383 | G | 63.2 | Low | 79.5 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | trans | -65.9 | 6.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1381 | G1381-G1383 VanDerWaalsContact C-N 3.28Å; G1381-G1383 PolarHBondContact O-N 2.82Å | ||
| 1384 | S | 71.6 | Confident | 79.8 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -157.9 | 157 | 169.3 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | Q1382 | Q1382-S1384 PolarHBondContact O-N 3.27Š|
| 1385 | V | 76.1 | Confident | 79.8 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | trans | -85.6 | 139.8 | 170.2 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | L1374 S1387 Q1389 A1390 W1393 M1474 | L1374-V1385 HydrophobicContact CD2-CG2 3.5Å; V1385-S1387 PolarHBondContact O-N 2.78Å; V1385-Q1389 HydrophobicContact CG1-CB 4.35Å; V1385-Q1389 HydrophobicContact CG1-CG 4.45Å; V1385-A1390 HydrophobicContact CB-CB 4.37Å; V1385-A1390 HydrophobicContact CG1-CB 4.01Å; V1385-W1393 HydrophobicContact CB-CZ3 4.48Å; V1385-W1393 HydrophobicContact CG1-CE3 4.06Å; V1385-W1393 HydrophobicContact CG1-CH2 4.11Å; V1385-W1393 HydrophobicContact CG1-CZ3 3.55Å; V1385-W1393 HydrophobicContact CG2-CZ3 4.03Å; V1385-M1474 HydrophobicContact CG2-CE 4.27Å; V1385-M1474 HydrophobicContact CG2-SD 3.81Å | ||
| 1386 | N | 79.3 | Confident | 79.9 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | trans | -57.3 | 126 | 169.5 | 175.5 | -40.8 | 0 | 0 | 0 | 110 | S1388 Q1389 A1390 | N1386-S1388 VanDerWaalsContact C-N 3.32Å; N1386-S1388 PolarHBondContact O-N 2.89Å; N1386-S1388 PolarHBondContact OD1-N 3.12Å; N1386-Q1389 HydrophobicContact CB-CB 4.32Å; N1386-Q1389 WeakPolarHBondContact O-CA 3.33Å; N1386-Q1389 WeakPolarHBondContact O-CB 3.35Å; N1386-Q1389 PolarHBondContact O-N 3.48Å; N1386-A1390 PolarHBondContact O-N 2.78Å | ||
| 1387 | S | 80.2 | Confident | 80 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -51.4 | -43.9 | -175 | -48.3 | 0 | 0 | 0 | 0 | 113.8 | V1385 Q1389 A1390 Y1391 | V1385-S1387 PolarHBondContact O-N 2.78Å; S1387-Q1389 VanDerWaalsContact C-N 3.29Å; S1387-Q1389 PolarHBondContact O-N 3.38Å; S1387-A1390 PolarHBondContact O-N 2.99Å; S1387-Y1391 WeakPolarHBondContact O-CB 3.45Å; S1387-Y1391 VanDerWaalsContact O-CD2 3.26Å; S1387-Y1391 WeakPolarHBondContact O-CD2 3.39Å; S1387-Y1391 PolarHBondContact O-N 3.03Å |
| 1388 | S | 78.6 | Confident | 80.3 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | N1386 L1392 | N1386-S1388 VanDerWaalsContact C-N 3.32Å; N1386-S1388 PolarHBondContact O-N 2.89Å; N1386-S1388 PolarHBondContact OD1-N 3.12Å; S1388-L1392 WeakPolarHBondContact O-CB 3.41Å; S1388-L1392 PolarHBondContact O-N 3.08Å |
| 1389 | Q | 82.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.2 | -37 | 174.8 | -175.8 | 59.9 | 95.8 | 0 | 0 | 111.4 | V1385 N1386 S1387 W1393 | V1385-Q1389 HydrophobicContact CG1-CB 4.35Å; V1385-Q1389 HydrophobicContact CG1-CG 4.45Å; N1386-Q1389 HydrophobicContact CB-CB 4.32Å; N1386-Q1389 WeakPolarHBondContact O-CA 3.33Å; N1386-Q1389 WeakPolarHBondContact O-CB 3.35Å; N1386-Q1389 PolarHBondContact O-N 3.48Å; S1387-Q1389 VanDerWaalsContact C-N 3.29Å; S1387-Q1389 PolarHBondContact O-N 3.38Å; Q1389-W1393 HydrophobicContact CG-CD2 4.17Å; Q1389-W1393 HydrophobicContact CG-CH2 4.14Å; Q1389-W1393 HydrophobicContact CG-CZ2 3.64Å; Q1389-W1393 WeakPolarHBondContact O-CB 3.02Å; Q1389-W1393 PolarHBondContact O-N 2.94Å |
| 1390 | A | 85.1 | Confident | 80.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1385 N1386 S1387 W1393 A1394 I1471 F1510 | V1385-A1390 HydrophobicContact CB-CB 4.37Å; V1385-A1390 HydrophobicContact CG1-CB 4.01Å; N1386-A1390 PolarHBondContact O-N 2.78Å; S1387-A1390 PolarHBondContact O-N 2.99Å; A1390-W1393 PolarHBondContact O-N 3.07Å; A1390-A1394 WeakPolarHBondContact O-CB 3.35Å; A1390-A1394 PolarHBondContact O-N 3.49Å; A1390-I1471 HydrophobicContact CB-CG2 3.88Å; A1390-F1510 HydrophobicContact CB-CE2 3.88Å; A1390-F1510 HydrophobicContact CB-CZ 4.08Å |
| 1391 | Y | 86.5 | Confident | 80.6 | Confident | 34 Ų | 34 | 36 Ų | 36 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.5 | -60.3 | -28 | 0 | 0 | 0 | 111.7 | S1387 W1393 A1394 T1395 P1507 L1509 F1510 L1535 C1538 | S1387-Y1391 WeakPolarHBondContact O-CB 3.45Å; S1387-Y1391 VanDerWaalsContact O-CD2 3.26Å; S1387-Y1391 WeakPolarHBondContact O-CD2 3.39Å; S1387-Y1391 PolarHBondContact O-N 3.03Å; Y1391-W1393 VanDerWaalsContact C-N 3.31Å; Y1391-W1393 PolarHBondContact O-N 2.87Å; Y1391-A1394 PolarHBondContact O-N 2.72Å; Y1391-T1395 PolarHBondContact O-N 2.03Å; Y1391-T1395 PolarHBondContact O-OG1 3.39Å; Y1391-P1507 HydrophobicContact CE1-CB 4.17Å; Y1391-P1507 VanDerWaalsContact OH-CB 3.31Å; Y1391-P1507 WeakPolarHBondContact OH-CB 3.39Å; Y1391-L1509 HydrophobicContact CD1-CD2 4.29Å; Y1391-L1509 HydrophobicContact CE1-CB 4.22Å; Y1391-L1509 HydrophobicContact CE1-CD2 3.92Å; Y1391-L1509 HydrophobicContact CE1-CG 4.32Å; Y1391-L1509 HydrophobicContact CE2-CD2 4.41Å; Y1391-F1510 AromaticContact CD1-CD1 3.9Å; Y1391-F1510 HydrophobicContact CD1-CD1 3.9Å; Y1391-F1510 AromaticContact CD1-CE1 3.5Å; Y1391-F1510 HydrophobicContact CD1-CE1 3.5Å; Y1391-F1510 VanDerWaalsContact CD1-CE1 3.5Å; Y1391-F1510 AromaticContact CD1-CZ 3.96Å; Y1391-F1510 HydrophobicContact CD1-CZ 3.96Å; Y1391-F1510 AromaticContact CE1-CD1 3.82Å; Y1391-F1510 HydrophobicContact CE1-CD1 3.82Å; Y1391-F1510 AromaticContact CE1-CE1 3.93Å; Y1391-F1510 HydrophobicContact CE1-CE1 3.93Å; Y1391-F1510 HydrophobicContact CE1-CG 4.34Å; Y1391-F1510 HydrophobicContact CE1-CZ 4.49Å; Y1391-L1535 HydrophobicContact CD1-CD2 4.23Å; Y1391-C1538 HydrophobicContact CD2-CB 3.59Å; Y1391-C1538 HydrophobicContact CE2-CB 4.07Å; Y1391-C1538 HydrophobicContact CG-CB 4.15Å |
| 1392 | L | 83.9 | Confident | 81 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 173.9 | 177.1 | 58.1 | 0 | 0 | 0 | 111.6 | S1388 T1395 Q1396 F1539 D1541 F1544 | S1388-L1392 WeakPolarHBondContact O-CB 3.41Å; S1388-L1392 PolarHBondContact O-N 3.08Å; L1392-T1395 PolarHBondContact O-N 2.03Å; L1392-Q1396 HydrophobicContact CD1-CG 4.23Å; L1392-Q1396 VanDerWaalsContact CD1-NE2 3.27Å; L1392-Q1396 WeakPolarHBondContact O-CB 3Å; L1392-Q1396 WeakPolarHBondContact O-CG 3.5Å; L1392-Q1396 PolarHBondContact O-N 3.46Å; L1392-F1539 HydrophobicContact CB-CB 4.49Å; L1392-F1539 HydrophobicContact CB-CD2 4.27Å; L1392-F1539 HydrophobicContact CB-CG 4.24Å; L1392-F1539 HydrophobicContact CD1-CD2 3.55Å; L1392-F1539 HydrophobicContact CD1-CE2 3.49Å; L1392-F1539 VanDerWaalsContact CD1-CE2 3.49Å; L1392-F1539 HydrophobicContact CD1-CG 4.33Å; L1392-F1539 HydrophobicContact CD1-CZ 4.24Å; L1392-F1539 HydrophobicContact CG-CD2 4.43Å; L1392-D1541 HydrophobicContact CD1-CB 4.02Å; L1392-D1541 HydrophobicContact CD2-CB 4.41Å; L1392-F1544 HydrophobicContact CD1-CB 4.33Å |
| 1393 | W | 87.2 | Confident | 81.4 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 10% | 0.095 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -47 | 176.5 | -68.6 | -12.7 | 0 | 0 | 0 | 112.9 | L1370 Y1373 L1374 L1377 V1385 Q1389 A1390 Y1391 T1395 Q1396 I1397 V1415 | L1370-W1393 HydrophobicContact CD1-CD2 4.35Å; L1370-W1393 HydrophobicContact CD1-CE3 4.04Å; L1370-W1393 HydrophobicContact CD1-CZ3 4.16Å; Y1373-W1393 HydrophobicContact CD1-CH2 4.12Å; Y1373-W1393 HydrophobicContact CD1-CZ2 4.38Å; Y1373-W1393 AromaticContact CE1-CH2 3.89Å; Y1373-W1393 HydrophobicContact CE1-CH2 3.89Å; Y1373-W1393 AromaticContact CE1-CZ2 3.97Å; Y1373-W1393 HydrophobicContact CE1-CZ2 3.97Å; L1374-W1393 HydrophobicContact CD2-CZ3 3.86Å; L1377-W1393 HydrophobicContact CD1-CH2 4.2Å; V1385-W1393 HydrophobicContact CB-CZ3 4.48Å; V1385-W1393 HydrophobicContact CG1-CE3 4.06Å; V1385-W1393 HydrophobicContact CG1-CH2 4.11Å; V1385-W1393 HydrophobicContact CG1-CZ3 3.55Å; V1385-W1393 HydrophobicContact CG2-CZ3 4.03Å; Q1389-W1393 HydrophobicContact CG-CD2 4.17Å; Q1389-W1393 HydrophobicContact CG-CH2 4.14Å; Q1389-W1393 HydrophobicContact CG-CZ2 3.64Å; Q1389-W1393 WeakPolarHBondContact O-CB 3.02Å; Q1389-W1393 PolarHBondContact O-N 2.94Å; A1390-W1393 PolarHBondContact O-N 3.07Å; Y1391-W1393 VanDerWaalsContact C-N 3.31Å; Y1391-W1393 PolarHBondContact O-N 2.87Å; W1393-T1395 VanDerWaalsContact C-N 3.3Å; W1393-T1395 PolarHBondContact O-N 3.01Å; W1393-Q1396 PolarHBondContact O-N 2.87Å; W1393-I1397 VanDerWaalsContact O-CG1 3.26Å; W1393-I1397 WeakPolarHBondContact O-CG1 3.27Å; W1393-I1397 PolarHBondContact O-N 2.85Å; W1393-V1415 HydrophobicContact CB-CB 4Å; W1393-V1415 HydrophobicContact CB-CG1 4.29Å; W1393-V1415 HydrophobicContact CB-CG2 3.78Å; W1393-V1415 HydrophobicContact CD2-CG2 3.86Å; W1393-V1415 HydrophobicContact CG-CB 4.08Å; W1393-V1415 HydrophobicContact CG-CG2 3.32Å |
| 1394 | A | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1390 Y1391 Q1396 I1397 A1398 Y1464 L1468 F1510 L1535 | A1390-A1394 WeakPolarHBondContact O-CB 3.35Å; A1390-A1394 PolarHBondContact O-N 3.49Å; Y1391-A1394 PolarHBondContact O-N 2.72Å; A1394-Q1396 PolarHBondContact O-N 3.08Å; A1394-I1397 CarbonylContact O-C 3.58Å; A1394-I1397 WeakPolarHBondContact O-CB 3.46Å; A1394-I1397 PolarHBondContact O-N 2.88Å; A1394-A1398 WeakPolarHBondContact O-CB 3.08Å; A1394-A1398 PolarHBondContact O-N 3.43Å; A1394-Y1464 PolarHBondContact O-OH 2.84Å; A1394-L1468 HydrophobicContact CB-CD2 3.56Å; A1394-F1510 HydrophobicContact CB-CE1 3.74Å; A1394-F1510 HydrophobicContact CB-CZ 3.6Å; A1394-L1535 HydrophobicContact CB-CD1 3.8Å |
| 1395 | T | 86.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -31.4 | 179.9 | -38.4 | 0 | 0 | 0 | 0 | 112.5 | Y1391 L1392 W1393 A1398 D1399 L1535 F1539 F1544 | Y1391-T1395 PolarHBondContact O-N 2.03Å; Y1391-T1395 PolarHBondContact O-OG1 3.39Å; L1392-T1395 PolarHBondContact O-N 2.03Å; W1393-T1395 VanDerWaalsContact C-N 3.3Å; W1393-T1395 PolarHBondContact O-N 3.01Å; T1395-A1398 PolarHBondContact O-N 3.13Å; T1395-D1399 VanDerWaalsContact O-CB 3.3Å; T1395-D1399 WeakPolarHBondContact O-CB 3.38Å; T1395-D1399 PolarHBondContact O-N 3.08Å; T1395-L1535 HydrophobicContact CG2-CB 4.16Å; T1395-L1535 WeakPolarHBondContact OG1-CB 3.5Å; T1395-F1539 HydrophobicContact CG2-CE1 3.74Å; T1395-F1539 HydrophobicContact CG2-CZ 3.77Å; T1395-F1539 WeakPolarHBondContact OG1-CE1 3.24Å; T1395-F1544 HydrophobicContact CG2-CE1 4.1Å; T1395-F1544 HydrophobicContact CG2-CE2 4.17Å; T1395-F1544 HydrophobicContact CG2-CZ 3.61Å |
| 1396 | Q | 84.5 | Confident | 80.7 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -35.5 | 172.3 | -73.6 | 167.5 | -6.2 | 0 | 0 | 112.1 | L1392 W1393 A1394 G1400 T1414 V1415 F1544 | L1392-Q1396 HydrophobicContact CD1-CG 4.23Å; L1392-Q1396 VanDerWaalsContact CD1-NE2 3.27Å; L1392-Q1396 WeakPolarHBondContact O-CB 3Å; L1392-Q1396 WeakPolarHBondContact O-CG 3.5Å; L1392-Q1396 PolarHBondContact O-N 3.46Å; W1393-Q1396 PolarHBondContact O-N 2.87Å; A1394-Q1396 PolarHBondContact O-N 3.08Å; Q1396-G1400 VanDerWaalsContact O-CA 3.27Å; Q1396-G1400 WeakPolarHBondContact O-CA 3.36Å; Q1396-G1400 PolarHBondContact O-N 2.73Å; Q1396-T1414 WeakPolarHBondContact CB-O 3.41Å; Q1396-T1414 HydrophobicContact CG-CG2 4.1Å; Q1396-T1414 PolarHBondContact OE1-O 2.98Å; Q1396-V1415 CarbonylContact C-O 3.59Å; Q1396-V1415 HydrophobicContact CB-CB 4.4Å; Q1396-V1415 WeakPolarHBondContact CB-O 3.28Å; Q1396-F1544 HydrophobicContact CG-CD2 4.01Å; Q1396-F1544 HydrophobicContact CG-CE2 4.29Å |
| 1397 | I | 87 | Confident | 79.5 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.5 | -32.1 | 171.2 | -59 | 161.7 | 0 | 0 | 0 | 111.2 | L1370 W1393 A1394 G1400 M1401 V1415 I1417 Y1464 V1467 I1471 | L1370-I1397 HydrophobicContact CD2-CD1 4.49Å; W1393-I1397 VanDerWaalsContact O-CG1 3.26Å; W1393-I1397 WeakPolarHBondContact O-CG1 3.27Å; W1393-I1397 PolarHBondContact O-N 2.85Å; A1394-I1397 CarbonylContact O-C 3.58Å; A1394-I1397 WeakPolarHBondContact O-CB 3.46Å; A1394-I1397 PolarHBondContact O-N 2.88Å; I1397-G1400 CarbonylContact O-C 3.47Å; I1397-G1400 VanDerWaalsContact O-CA 3.29Å; I1397-G1400 WeakPolarHBondContact O-CA 3.36Å; I1397-M1401 WeakPolarHBondContact O-CG 3.37Å; I1397-M1401 PolarHBondContact O-N 3.34Å; I1397-V1415 HydrophobicContact CD1-CG1 3.63Å; I1397-V1415 HydrophobicContact CG1-CB 4.38Å; I1397-V1415 HydrophobicContact CG1-CG1 3.53Å; I1397-V1415 WeakPolarHBondContact CG1-O 3.42Å; I1397-V1415 PolarHBondContact N-O 2.05Å; I1397-I1417 HydrophobicContact CG2-CD1 3.77Å; I1397-I1417 HydrophobicContact CG2-CG1 3.9Å; I1397-Y1464 HydrophobicContact CB-CD2 4.31Å; I1397-Y1464 HydrophobicContact CB-CE2 3.95Å; I1397-Y1464 HydrophobicContact CG2-CD2 3.58Å; I1397-Y1464 HydrophobicContact CG2-CE2 3.75Å; I1397-V1467 HydrophobicContact CD1-CG1 3.81Å; I1397-I1471 HydrophobicContact CD1-CD1 4.02Å |
| 1398 | A | 88 | Confident | 78 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.7 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1394 T1395 G1400 M1401 A1402 Y1464 L1531 | A1394-A1398 WeakPolarHBondContact O-CB 3.08Å; A1394-A1398 PolarHBondContact O-N 3.43Å; T1395-A1398 PolarHBondContact O-N 3.13Å; A1398-G1400 CarbonylContact O-C 3.2Å; A1398-M1401 CarbonylContact O-C 3.53Å; A1398-M1401 PolarHBondContact O-N 3.34Å; A1398-A1402 VanDerWaalsContact O-CB 3.22Å; A1398-A1402 WeakPolarHBondContact O-CB 3.49Å; A1398-A1402 PolarHBondContact O-N 3.15Å; A1398-Y1464 HydrophobicContact CB-CE2 4.23Å; A1398-L1531 HydrophobicContact CB-CB 4.11Å |
| 1399 | D | 84.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.8 | -48.8 | 178.7 | 179.6 | 89.3 | 0 | 0 | 0 | 111.4 | H1234 T1395 A1402 Y1403 C1532 F1544 S1548 F1549 F1550 | H1234-D1399 IonicContact CE1-OD2 2.67Å; H1234-D1399 PolarHBondContact CE1-OD2 2.91Å; H1234-D1399 IonicContact CG-OD2 3.44Å; H1234-D1399 IonicContact ND1-OD2 3.71Å; H1234-D1399 PolarHBondContact ND1-OD2 2.79Å; T1395-D1399 VanDerWaalsContact O-CB 3.3Å; T1395-D1399 WeakPolarHBondContact O-CB 3.38Å; T1395-D1399 PolarHBondContact O-N 3.08Å; D1399-A1402 PolarHBondContact O-N 3.37Å; D1399-Y1403 PolarHBondContact O-N 3.43Å; D1399-C1532 VanDerWaalsContact CA-SG 3.55Å; D1399-C1532 PolarHBondContact N-SG 2.75Å; D1399-F1544 HydrophobicContact CB-CE2 3.72Å; D1399-F1544 HydrophobicContact CB-CZ 3.74Å; D1399-S1548 WeakPolarHBondContact OD1-CA 3.23Å; D1399-S1548 VanDerWaalsContact OD1-CB 3.32Å; D1399-S1548 WeakPolarHBondContact OD1-CB 3.29Å; D1399-S1548 PolarHBondContact OD1-OG 3.19Å; D1399-S1548 WeakPolarHBondContact OD2-CA 3.44Å; D1399-F1549 PolarHBondContact OD1-N 3.46Å; D1399-F1549 PolarHBondContact OD2-N 3.47Å; D1399-F1550 WeakPolarHBondContact OD1-CB 3.32Å; D1399-F1550 PolarHBondContact OD1-N 2.95Å |
| 1400 | G | 79.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | 21.2 | -117 | 111.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q1396 I1397 A1398 A1402 Y1403 V1410 H1411 | Q1396-G1400 VanDerWaalsContact O-CA 3.27Å; Q1396-G1400 WeakPolarHBondContact O-CA 3.36Å; Q1396-G1400 PolarHBondContact O-N 2.73Å; I1397-G1400 CarbonylContact O-C 3.47Å; I1397-G1400 VanDerWaalsContact O-CA 3.29Å; I1397-G1400 WeakPolarHBondContact O-CA 3.36Å; A1398-G1400 CarbonylContact O-C 3.2Å; G1400-A1402 PolarHBondContact O-N 2.75Å; G1400-Y1403 WeakPolarHBondContact O-CB 3.37Å; G1400-Y1403 PolarHBondContact O-N 3.4Å; G1400-V1410 VanDerWaalsContact C-CG2 3.41Å; G1400-V1410 WeakPolarHBondContact O-CG2 3.46Å; G1400-H1411 WeakPolarHBondContact CA-ND1 3.19Å; G1400-H1411 PolarHBondContact O-CE1 2.88Å | |
| 1401 | M | 81 | Confident | 71.1 | Confident | 18 Ų | 18 | 19.3 Ų | 19.3 | 9% | 0.089 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.1 | -13.5 | -176 | -63.8 | -64.4 | -85.3 | 0 | 0 | 114.6 | I1397 A1398 L1404 S1405 V1410 I1417 D1460 F1528 | I1397-M1401 WeakPolarHBondContact O-CG 3.37Å; I1397-M1401 PolarHBondContact O-N 3.34Å; A1398-M1401 CarbonylContact O-C 3.53Å; A1398-M1401 PolarHBondContact O-N 3.34Å; M1401-L1404 HydrophobicContact CE-CD1 4Å; M1401-L1404 WeakPolarHBondContact O-CA 3.05Å; M1401-L1404 VanDerWaalsContact O-CB 3.22Å; M1401-L1404 WeakPolarHBondContact O-CB 3.4Å; M1401-L1404 PolarHBondContact O-N 3.29Å; M1401-L1404 HydrophobicContact SD-CD1 3.66Å; M1401-L1404 HydrophobicContact SD-CG 3.93Å; M1401-S1405 PolarHBondContact O-N 2.76Å; M1401-V1410 HydrophobicContact SD-CB 4Å; M1401-V1410 HydrophobicContact SD-CG1 3.65Å; M1401-V1410 HydrophobicContact SD-CG2 3.93Å; M1401-I1417 HydrophobicContact CG-CD1 3.64Å; M1401-I1417 HydrophobicContact SD-CD1 3.51Å; M1401-I1417 VanDerWaalsContact SD-CD1 3.51Å; M1401-D1460 HydrophobicContact CE-CB 3.51Å; M1401-D1460 WeakPolarHBondContact CE-OD2 3.21Å; M1401-F1528 HydrophobicContact CB-CB 4.11Å; M1401-F1528 HydrophobicContact CB-CD1 3.44Å; M1401-F1528 VanDerWaalsContact CB-CD1 3.44Å; M1401-F1528 HydrophobicContact CB-CD2 3.37Å; M1401-F1528 HydrophobicContact CB-CE1 3.51Å; M1401-F1528 HydrophobicContact CB-CE2 3.43Å; M1401-F1528 VanDerWaalsContact CB-CE2 3.43Å; M1401-F1528 HydrophobicContact CB-CG 3.36Å; M1401-F1528 HydrophobicContact CB-CZ 3.49Å; M1401-F1528 VanDerWaalsContact CB-CZ 3.49Å; M1401-F1528 HydrophobicContact CE-CE2 4.16Å; M1401-F1528 HydrophobicContact CE-CZ 4.21Å; M1401-F1528 HydrophobicContact CG-CD1 4.26Å; M1401-F1528 HydrophobicContact CG-CD2 4.45Å; M1401-F1528 HydrophobicContact CG-CE1 3.85Å; M1401-F1528 HydrophobicContact CG-CE2 4.06Å; M1401-F1528 HydrophobicContact CG-CZ 3.72Å |
| 1402 | A | 80.4 | Confident | 68.5 | Low | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.7 | -38.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1398 D1399 G1400 L1404 S1405 A1406 F1528 L1529 F1549 | A1398-A1402 VanDerWaalsContact O-CB 3.22Å; A1398-A1402 WeakPolarHBondContact O-CB 3.49Å; A1398-A1402 PolarHBondContact O-N 3.15Å; D1399-A1402 PolarHBondContact O-N 3.37Å; G1400-A1402 PolarHBondContact O-N 2.75Å; A1402-L1404 PolarHBondContact O-N 2.71Å; A1402-S1405 PolarHBondContact O-N 3.35Å; A1402-A1406 PolarHBondContact O-N 3.32Å; A1402-F1528 HydrophobicContact CB-CB 4.02Å; A1402-L1529 HydrophobicContact CB-CD2 3.79Å; A1402-L1529 HydrophobicContact CB-CG 4.05Å; A1402-F1549 HydrophobicContact CB-CD1 4.31Å; A1402-F1549 WeakPolarHBondContact O-CE1 3.5Å |
| 1403 | Y | 74.5 | Confident | 66.5 | Low | 17 Ų | 17 | 19 Ų | 19 | 7% | 0.067 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.1 | -14.8 | 166.5 | -173.9 | -106.1 | 0 | 0 | 0 | 111.7 | Q1231 L1235 D1399 G1400 K1407 H1411 F1549 | Q1231-Y1403 PolarHBondContact N-OH 3.48Å; L1235-Y1403 HydrophobicContact CD1-CD1 4.13Å; L1235-Y1403 HydrophobicContact CD1-CE1 3.59Å; D1399-Y1403 PolarHBondContact O-N 3.43Å; G1400-Y1403 WeakPolarHBondContact O-CB 3.37Å; G1400-Y1403 PolarHBondContact O-N 3.4Å; Y1403-K1407 HydrophobicContact CD1-CB 4.3Å; Y1403-K1407 HydrophobicContact CD1-CG 4.49Å; Y1403-K1407 HydrophobicContact CD2-CG 4.3Å; Y1403-K1407 HydrophobicContact CE1-CB 4.11Å; Y1403-K1407 HydrophobicContact CE1-CG 4.15Å; Y1403-K1407 HydrophobicContact CE2-CG 3.92Å; Y1403-K1407 WeakPolarHBondContact O-CA 3.46Å; Y1403-K1407 WeakPolarHBondContact O-CB 3.42Å; Y1403-K1407 PolarHBondContact O-N 2.88Å; Y1403-H1411 AromaticContact CD1-NE2 3.16Å; Y1403-H1411 WeakPolarHBondContact CD1-NE2 3.41Å; Y1403-H1411 AromaticContact CE1-NE2 3.92Å; Y1403-H1411 AromaticContact CG-NE2 3.63Å; Y1403-F1549 HydrophobicContact CD2-CB 4.35Å; Y1403-F1549 HydrophobicContact CD2-CD1 4.47Å; Y1403-F1549 AromaticContact CD2-CD2 3.65Å; Y1403-F1549 HydrophobicContact CD2-CD2 3.65Å; Y1403-F1549 HydrophobicContact CD2-CE2 4Å; Y1403-F1549 AromaticContact CD2-CG 3.89Å; Y1403-F1549 HydrophobicContact CD2-CG 3.89Å; Y1403-F1549 HydrophobicContact CE2-CD2 4.38Å |
| 1404 | L | 68.3 | Low | 64.8 | Low | 17 Ų | 17 | 20 Ų | 20 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -99.6 | -36.7 | -179.7 | -60.2 | -142.9 | 0 | 0 | 0 | 113.4 | M1401 A1402 A1406 K1407 Q1408 Y1409 V1410 | M1401-L1404 HydrophobicContact CE-CD1 4Å; M1401-L1404 WeakPolarHBondContact O-CA 3.05Å; M1401-L1404 VanDerWaalsContact O-CB 3.22Å; M1401-L1404 WeakPolarHBondContact O-CB 3.4Å; M1401-L1404 PolarHBondContact O-N 3.29Å; M1401-L1404 HydrophobicContact SD-CD1 3.66Å; M1401-L1404 HydrophobicContact SD-CG 3.93Å; A1402-L1404 PolarHBondContact O-N 2.71Å; L1404-A1406 PolarHBondContact O-N 2.86Å; L1404-K1407 PolarHBondContact O-N 2.85Å; L1404-Q1408 WeakPolarHBondContact CD1-O 3.3Å; L1404-Q1408 WeakPolarHBondContact O-CA 3.25Å; L1404-Q1408 PolarHBondContact O-N 2.8Å; L1404-Y1409 VanDerWaalsContact CD2-CA 3.44Å; L1404-Y1409 VanDerWaalsContact CD2-N 3.26Å; L1404-Y1409 WeakPolarHBondContact CD2-O 3.44Å; L1404-V1410 HydrophobicContact CD1-CB 3.65Å; L1404-V1410 HydrophobicContact CD1-CG1 4.37Å; L1404-V1410 HydrophobicContact CD1-CG2 4.13Å; L1404-V1410 HydrophobicContact CD2-CB 3.53Å; L1404-V1410 HydrophobicContact CD2-CG2 3.32Å; L1404-V1410 HydrophobicContact CG-CB 3.72Å; L1404-V1410 HydrophobicContact CG-CG2 3.64Å |
| 1405 | S | 64.6 | Low | 63.1 | Low | 62 Ų | 62 | 20.3 Ų | 20.3 | 43% | 0.434 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -55 | -17.6 | 163.9 | -156.1 | 0 | 0 | 0 | 0 | 111 | M1401 A1402 | M1401-S1405 PolarHBondContact O-N 2.76Å; A1402-S1405 PolarHBondContact O-N 3.35Å |
| 1406 | A | 63.2 | Low | 62.2 | Low | 47 Ų | 47 | 20.9 Ų | 20.9 | 39% | 0.388 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -99.8 | -48.9 | 167 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1402 L1404 F1549 | A1402-A1406 PolarHBondContact O-N 3.32Å; L1404-A1406 PolarHBondContact O-N 2.86Å; A1406-F1549 HydrophobicContact CB-CE1 3.87Å; A1406-F1549 HydrophobicContact CB-CZ 3.52Å |
| 1407 | K | 55.8 | Low | 61.5 | Low | 64 Ų | 64 | 23.3 Ų | 23.3 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -116.2 | 5.2 | -172.3 | -61.8 | -58.5 | -148.4 | -159.5 | 0 | 115.8 | Y1403 L1404 Y1409 E1554 | Y1403-K1407 HydrophobicContact CD1-CB 4.3Å; Y1403-K1407 HydrophobicContact CD1-CG 4.49Å; Y1403-K1407 HydrophobicContact CD2-CG 4.3Å; Y1403-K1407 HydrophobicContact CE1-CB 4.11Å; Y1403-K1407 HydrophobicContact CE1-CG 4.15Å; Y1403-K1407 HydrophobicContact CE2-CG 3.92Å; Y1403-K1407 WeakPolarHBondContact O-CA 3.46Å; Y1403-K1407 WeakPolarHBondContact O-CB 3.42Å; Y1403-K1407 PolarHBondContact O-N 2.88Å; L1404-K1407 PolarHBondContact O-N 2.85Å; K1407-Y1409 PolarHBondContact O-N 2.93Å; K1407-E1554 WeakPolarHBondContact CE-OE1 3.15Å; K1407-E1554 VanDerWaalsContact CE-OE2 3.27Å; K1407-E1554 WeakPolarHBondContact CE-OE2 3.43Å; K1407-E1554 IonicContact NZ-OE1 2.83Å; K1407-E1554 PolarHBondContact NZ-OE1 2.9Å; K1407-E1554 IonicContact NZ-OE2 3.29Å; K1407-E1554 PolarHBondContact NZ-OE2 2.86Å |
| 1408 | Q | 46.7 | Very low | 60.1 | Low | 55 Ų | 55 | 24.9 Ų | 24.9 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 66 | -5.1 | 176.6 | -57.3 | -179.6 | -24.7 | 0 | 0 | 119.2 | L1404 V1426 | L1404-Q1408 WeakPolarHBondContact CD1-O 3.3Å; L1404-Q1408 WeakPolarHBondContact O-CA 3.25Å; L1404-Q1408 PolarHBondContact O-N 2.8Å; Q1408-V1426 HydrophobicContact CB-CG2 4.28Å; Q1408-V1426 HydrophobicContact CG-CG2 4.27Å |
| 1409 | Y | 35.2 | Very low | 58.9 | Low | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | trans | -153.6 | 141.3 | -176.7 | -47.7 | -69.8 | 0 | 0 | 0 | 122.4 | F1226 F1230 L1404 K1407 C1423 R1424 D1425 | F1226-Y1409 HydrophobicContact CD1-CE2 4.14Å; F1226-Y1409 HydrophobicContact CE1-CE2 4.49Å; F1226-Y1409 VanDerWaalsContact CE1-OH 3.3Å; F1226-Y1409 WeakPolarHBondContact CE1-OH 3.14Å; F1226-Y1409 WeakPolarHBondContact CZ-OH 3.36Å; F1230-Y1409 AromaticContact CE1-CD2 3.46Å; F1230-Y1409 HydrophobicContact CE1-CD2 3.46Å; F1230-Y1409 VanDerWaalsContact CE1-CD2 3.46Å; F1230-Y1409 HydrophobicContact CE1-CE2 4.27Å; F1230-Y1409 HydrophobicContact CE1-CG 4.06Å; F1230-Y1409 HydrophobicContact CE2-CD2 4.35Å; F1230-Y1409 HydrophobicContact CE2-CG 4.23Å; F1230-Y1409 AromaticContact CZ-CD2 3.23Å; F1230-Y1409 HydrophobicContact CZ-CD2 3.23Å; F1230-Y1409 AromaticContact CZ-CE2 3.98Å; F1230-Y1409 HydrophobicContact CZ-CE2 3.98Å; F1230-Y1409 AromaticContact CZ-CG 3.49Å; F1230-Y1409 HydrophobicContact CZ-CG 3.49Å; F1230-Y1409 VanDerWaalsContact CZ-CG 3.49Å; L1404-Y1409 VanDerWaalsContact CD2-CA 3.44Å; L1404-Y1409 VanDerWaalsContact CD2-N 3.26Å; L1404-Y1409 WeakPolarHBondContact CD2-O 3.44Å; K1407-Y1409 PolarHBondContact O-N 2.93Å; Y1409-C1423 HydrophobicContact CD1-CB 3.32Å; Y1409-C1423 VanDerWaalsContact CD1-SG 3.56Å; Y1409-C1423 HydrophobicContact CE1-CB 3.37Å; Y1409-C1423 HydrophobicContact CG-CB 4.23Å; Y1409-R1424 WeakPolarHBondContact CE1-O 3.06Å; Y1409-R1424 WeakPolarHBondContact OH-CA 3.45Å; Y1409-R1424 PolarHBondContact OH-O 2.98Å; Y1409-D1425 WeakPolarHBondContact OH-CA 3.39Å; Y1409-D1425 PolarHBondContact OH-N 2.95Å | ||
| 1410 | V | 32.7 | Very low | 57.6 | Low | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -139.9 | 158.7 | -156.5 | 106.9 | 0 | 0 | 0 | 0 | 113.5 | G1400 M1401 L1404 I1417 F1420 | G1400-V1410 VanDerWaalsContact C-CG2 3.41Å; G1400-V1410 WeakPolarHBondContact O-CG2 3.46Å; M1401-V1410 HydrophobicContact SD-CB 4Å; M1401-V1410 HydrophobicContact SD-CG1 3.65Å; M1401-V1410 HydrophobicContact SD-CG2 3.93Å; L1404-V1410 HydrophobicContact CD1-CB 3.65Å; L1404-V1410 HydrophobicContact CD1-CG1 4.37Å; L1404-V1410 HydrophobicContact CD1-CG2 4.13Å; L1404-V1410 HydrophobicContact CD2-CB 3.53Å; L1404-V1410 HydrophobicContact CD2-CG2 3.32Å; L1404-V1410 HydrophobicContact CG-CB 3.72Å; L1404-V1410 HydrophobicContact CG-CG2 3.64Å; V1410-I1417 CarbonylContact C-O 3.57Å; V1410-I1417 HydrophobicContact CG1-CB 3.56Å; V1410-I1417 HydrophobicContact CG1-CD1 3.44Å; V1410-I1417 VanDerWaalsContact CG1-CD1 3.44Å; V1410-I1417 HydrophobicContact CG1-CG1 4Å; V1410-I1417 HydrophobicContact CG1-CG2 4.08Å; V1410-F1420 WeakPolarHBondContact O-CD1 3.23Å; V1410-F1420 WeakPolarHBondContact O-CE1 3.3Å; V1410-F1420 WeakPolarHBondContact O-CZ 3.36Å | ||
| 1411 | H | 34.5 | Very low | 56.3 | Low | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | cis | 167.4 | 132.2 | -18.2 | -105.1 | -156.4 | 0 | 0 | 0 | 108.1 | H1234 L1235 G1400 Y1403 K1416 I1417 | H1234-H1411 VanDerWaalsContact C-CG 3.42Å; H1234-H1411 VanDerWaalsContact C-ND1 3.34Å; H1234-H1411 VanDerWaalsContact CB-CE1 3.48Å; H1234-H1411 WeakPolarHBondContact CB-CE1 3.07Å; H1234-H1411 VanDerWaalsContact CB-ND1 3.33Å; H1234-H1411 WeakPolarHBondContact CB-ND1 3.28Å; H1234-H1411 WeakPolarHBondContact O-CB 3.39Å; H1234-H1411 PolarHBondContact O-ND1 2.91Å; L1235-H1411 WeakPolarHBondContact CD1-CD2 3.03Å; L1235-H1411 WeakPolarHBondContact CG-CD2 3.25Å; G1400-H1411 WeakPolarHBondContact CA-ND1 3.19Å; G1400-H1411 PolarHBondContact O-CE1 2.88Å; Y1403-H1411 AromaticContact CD1-NE2 3.16Å; Y1403-H1411 WeakPolarHBondContact CD1-NE2 3.41Å; Y1403-H1411 AromaticContact CE1-NE2 3.92Å; Y1403-H1411 AromaticContact CG-NE2 3.63Å; H1411-K1416 HydrophobicContact CB-CB 3.81Å; H1411-K1416 CarbonylContact O-C 3.48Å; H1411-K1416 WeakPolarHBondContact O-CA 3.34Å; H1411-K1416 WeakPolarHBondContact O-CB 3.47Å; H1411-I1417 CarbonylContact C-O 3.58Å; H1411-I1417 VanDerWaalsContact C-O 3.32Å; H1411-I1417 PolarHBondContact N-O 2.83Å; H1411-I1417 CarbonylContact O-C 3.57Å; H1411-I1417 WeakPolarHBondContact O-CA 3.4Å; H1411-I1417 PolarHBondContact O-N 3.17Å | ||
| 1412 | S | 31.9 | Very low | 54.9 | Low | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | trans | -141.3 | 135.8 | 172.8 | 113.1 | 0 | 0 | 0 | 0 | 125.3 | V1236 M1365 K1416 | V1236-S1412 VanDerWaalsContact CG2-OG 3.3Å; V1236-S1412 WeakPolarHBondContact CG2-OG 3.4Å; M1365-S1412 WeakPolarHBondContact CE-O 3.21Å; M1365-S1412 WeakPolarHBondContact CG-OG 3.33Å; S1412-K1416 VanDerWaalsContact C-CE 3.43Å; S1412-K1416 VanDerWaalsContact CA-C 3.43Å; S1412-K1416 VanDerWaalsContact CA-CB 3.41Å; S1412-K1416 WeakPolarHBondContact CA-O 3.37Å; S1412-K1416 VanDerWaalsContact CB-O 3.23Å; S1412-K1416 WeakPolarHBondContact CB-O 3.21Å; S1412-K1416 WeakPolarHBondContact O-CD 3.3Å; S1412-K1416 WeakPolarHBondContact O-CE 3.48Å; S1412-K1416 PolarHBondContact O-NZ 3.27Å | ||
| 1413 | L | 41.1 | Very low | 53.5 | Low | 43 Ų | 43 | 33.7 Ų | 33.7 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 20.1 | 131.9 | -173 | -77.4 | 130.5 | 0 | 0 | 0 | 122.9 | M1365 G1368 V1415 K1416 | M1365-L1413 HydrophobicContact CE-CB 3.77Å; M1365-L1413 WeakPolarHBondContact CE-O 3.38Å; G1368-L1413 WeakPolarHBondContact O-CD1 3.35Å; L1413-V1415 HydrophobicContact CD2-CB 4.25Å; L1413-V1415 HydrophobicContact CD2-CG1 4.48Å; L1413-V1415 HydrophobicContact CD2-CG2 3.7Å; L1413-K1416 PolarHBondContact N-O 2.76Å; L1413-K1416 VanDerWaalsContact N-O 3.08Å; L1413-K1416 WeakPolarHBondContact O-CE 3.34Å |
| 1414 | T | 52.4 | Low | 52.3 | Low | 44 Ų | 44 | 36 Ų | 36 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | S | Bend | cis | 32.8 | 58.7 | -45.2 | -37.2 | 0 | 0 | 0 | 0 | 119.9 | Y1233 Q1396 K1416 | Y1233-T1414 HydrophobicContact CE1-CG2 4.11Å; Q1396-T1414 WeakPolarHBondContact CB-O 3.41Å; Q1396-T1414 HydrophobicContact CG-CG2 4.1Å; Q1396-T1414 PolarHBondContact OE1-O 2.98Å; T1414-K1416 VanDerWaalsContact C-CG 3.47Å; T1414-K1416 VanDerWaalsContact C-N 3.31Å; T1414-K1416 WeakPolarHBondContact O-CG 3.09Å; T1414-K1416 PolarHBondContact O-N 2.83Å; T1414-K1416 VanDerWaalsContact O-N 3.09Å |
| 1415 | V | 52.5 | Low | 51.1 | Low | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 4.3 | 79.4 | -154.1 | -164.4 | 0 | 0 | 0 | 0 | 115.1 | L1370 W1393 Q1396 I1397 L1413 | L1370-V1415 HydrophobicContact CD1-CG1 4.4Å; L1370-V1415 HydrophobicContact CD1-CG2 4.13Å; L1370-V1415 HydrophobicContact CD2-CG1 3.7Å; L1370-V1415 HydrophobicContact CG-CG1 4.46Å; W1393-V1415 HydrophobicContact CB-CB 4Å; W1393-V1415 HydrophobicContact CB-CG1 4.29Å; W1393-V1415 HydrophobicContact CB-CG2 3.78Å; W1393-V1415 HydrophobicContact CD2-CG2 3.86Å; W1393-V1415 HydrophobicContact CG-CB 4.08Å; W1393-V1415 HydrophobicContact CG-CG2 3.32Å; Q1396-V1415 CarbonylContact C-O 3.59Å; Q1396-V1415 HydrophobicContact CB-CB 4.4Å; Q1396-V1415 WeakPolarHBondContact CB-O 3.28Å; I1397-V1415 HydrophobicContact CD1-CG1 3.63Å; I1397-V1415 HydrophobicContact CG1-CB 4.38Å; I1397-V1415 HydrophobicContact CG1-CG1 3.53Å; I1397-V1415 WeakPolarHBondContact CG1-O 3.42Å; I1397-V1415 PolarHBondContact N-O 2.05Å; L1413-V1415 HydrophobicContact CD2-CB 4.25Å; L1413-V1415 HydrophobicContact CD2-CG1 4.48Å; L1413-V1415 HydrophobicContact CD2-CG2 3.7Å |
| 1416 | K | 68.6 | Low | 50.4 | Low | 11 Ų | 11 | 37.9 Ų | 37.9 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -118.1 | 145.1 | 175.2 | 6 | 145.7 | -156.5 | -172.7 | 0 | 105.5 | Y1233 H1234 L1235 H1411 S1412 L1413 T1414 | Y1233-K1416 PolarHBondContact O-NZ 2.97Å; H1234-K1416 HydrophobicContact CB-CG 4.45Å; H1234-K1416 WeakPolarHBondContact O-CB 3.34Å; H1234-K1416 WeakPolarHBondContact O-CD 3.45Å; H1234-K1416 WeakPolarHBondContact O-CG 3.05Å; L1235-K1416 PolarHBondContact O-NZ 3.32Å; H1411-K1416 HydrophobicContact CB-CB 3.81Å; H1411-K1416 CarbonylContact O-C 3.48Å; H1411-K1416 WeakPolarHBondContact O-CA 3.34Å; H1411-K1416 WeakPolarHBondContact O-CB 3.47Å; S1412-K1416 VanDerWaalsContact C-CE 3.43Å; S1412-K1416 VanDerWaalsContact CA-C 3.43Å; S1412-K1416 VanDerWaalsContact CA-CB 3.41Å; S1412-K1416 WeakPolarHBondContact CA-O 3.37Å; S1412-K1416 VanDerWaalsContact CB-O 3.23Å; S1412-K1416 WeakPolarHBondContact CB-O 3.21Å; S1412-K1416 WeakPolarHBondContact O-CD 3.3Å; S1412-K1416 WeakPolarHBondContact O-CE 3.48Å; S1412-K1416 PolarHBondContact O-NZ 3.27Å; L1413-K1416 PolarHBondContact N-O 2.76Å; L1413-K1416 VanDerWaalsContact N-O 3.08Å; L1413-K1416 WeakPolarHBondContact O-CE 3.34Å; T1414-K1416 VanDerWaalsContact C-CG 3.47Å; T1414-K1416 VanDerWaalsContact C-N 3.31Å; T1414-K1416 WeakPolarHBondContact O-CG 3.09Å; T1414-K1416 PolarHBondContact O-N 2.83Å; T1414-K1416 VanDerWaalsContact O-N 3.09Å | ||
| 1417 | I | 68.9 | Low | 49.1 | Very low | 64 Ų | 64 | 44.1 Ų | 44.1 | 33% | 0.328 | 23% | 0.23 | S | C | . | . | trans | -74.4 | 109.4 | 179.4 | -46.6 | 156.6 | 0 | 0 | 0 | 117.9 | I1397 M1401 V1410 H1411 | I1397-I1417 HydrophobicContact CG2-CD1 3.77Å; I1397-I1417 HydrophobicContact CG2-CG1 3.9Å; M1401-I1417 HydrophobicContact CG-CD1 3.64Å; M1401-I1417 HydrophobicContact SD-CD1 3.51Å; M1401-I1417 VanDerWaalsContact SD-CD1 3.51Å; V1410-I1417 CarbonylContact C-O 3.57Å; V1410-I1417 HydrophobicContact CG1-CB 3.56Å; V1410-I1417 HydrophobicContact CG1-CD1 3.44Å; V1410-I1417 VanDerWaalsContact CG1-CD1 3.44Å; V1410-I1417 HydrophobicContact CG1-CG1 4Å; V1410-I1417 HydrophobicContact CG1-CG2 4.08Å; H1411-I1417 CarbonylContact C-O 3.58Å; H1411-I1417 VanDerWaalsContact C-O 3.32Å; H1411-I1417 PolarHBondContact N-O 2.83Å; H1411-I1417 CarbonylContact O-C 3.57Å; H1411-I1417 WeakPolarHBondContact O-CA 3.4Å; H1411-I1417 PolarHBondContact O-N 3.17Å | ||
| 1418 | G | 56.9 | Low | 48.2 | Very low | 41 Ų | 41 | 43.8 Ų | 43.8 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | trans | -78.2 | 167.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1419 | D | 63 | Low | 47.6 | Very low | 86 Ų | 86 | 42.7 Ų | 42.7 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | trans | 77.2 | 93.8 | 174.8 | -156.7 | 32.1 | 0 | 0 | 0 | 116.1 | K1206 G1421 | K1206-D1419 IonicContact NZ-OD1 3.04Å; K1206-D1419 PolarHBondContact NZ-OD1 3.12Å; D1419-G1421 PolarHBondContact O-N 2.85Å | ||
| 1420 | F | 58.2 | Low | 47.6 | Very low | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -80 | 20.4 | -179.9 | -59.8 | -101.8 | 0 | 0 | 0 | 112.7 | E1223 M1227 F1230 L1235 V1236 V1410 L1422 C1423 | E1223-F1420 HydrophobicContact CG-CB 3.7Å; M1227-F1420 HydrophobicContact CE-CD2 4.2Å; M1227-F1420 HydrophobicContact CE-CE2 3.82Å; M1227-F1420 HydrophobicContact CG-CD1 4.44Å; M1227-F1420 HydrophobicContact CG-CD2 3.61Å; M1227-F1420 HydrophobicContact CG-CE2 3.78Å; M1227-F1420 HydrophobicContact CG-CG 3.99Å; M1227-F1420 HydrophobicContact CG-CZ 4.23Å; M1227-F1420 HydrophobicContact SD-CD2 3.72Å; M1227-F1420 HydrophobicContact SD-CE2 3.96Å; F1230-F1420 HydrophobicContact CD2-CD1 4.06Å; F1230-F1420 AromaticContact CD2-CE1 3.45Å; F1230-F1420 HydrophobicContact CD2-CE1 3.45Å; F1230-F1420 VanDerWaalsContact CD2-CE1 3.45Å; F1230-F1420 HydrophobicContact CD2-CZ 4.08Å; F1230-F1420 AromaticContact CE2-CD1 3.55Å; F1230-F1420 HydrophobicContact CE2-CD1 3.55Å; F1230-F1420 AromaticContact CE2-CE1 3.42Å; F1230-F1420 HydrophobicContact CE2-CE1 3.42Å; F1230-F1420 VanDerWaalsContact CE2-CE1 3.42Å; F1230-F1420 HydrophobicContact CE2-CZ 4.4Å; L1235-F1420 HydrophobicContact CD2-CE1 4.42Å; L1235-F1420 HydrophobicContact CD2-CZ 3.85Å; V1236-F1420 HydrophobicContact CB-CE2 4.03Å; V1236-F1420 HydrophobicContact CB-CZ 4.45Å; V1236-F1420 HydrophobicContact CG2-CE2 4.07Å; V1410-F1420 WeakPolarHBondContact O-CD1 3.23Å; V1410-F1420 WeakPolarHBondContact O-CE1 3.3Å; V1410-F1420 WeakPolarHBondContact O-CZ 3.36Å; F1420-L1422 PolarHBondContact O-N 2.82Å; F1420-L1422 VanDerWaalsContact O-N 3.07Å; F1420-C1423 VanDerWaalsContact CA-SG 3.58Å; F1420-C1423 HydrophobicContact CB-CB 4.09Å; F1420-C1423 WeakPolarHBondContact O-CB 3.37Å; F1420-C1423 PolarHBondContact O-N 3.02Å | ||
| 1421 | G | 51.9 | Low | 47.8 | Very low | 14 Ų | 14 | 47.7 Ų | 47.7 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D1419 | D1419-G1421 PolarHBondContact O-N 2.85Š|
| 1422 | L | 52.1 | Low | 47.9 | Very low | 74 Ų | 74 | 50 Ų | 50 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 0.5 | 171.9 | -62.3 | 177.9 | 0 | 0 | 0 | 112.7 | F1420 R1424 K1434 | F1420-L1422 PolarHBondContact O-N 2.82Å; F1420-L1422 VanDerWaalsContact O-N 3.07Å; L1422-R1424 PolarHBondContact O-N 2.92Å; L1422-K1434 HydrophobicContact CD2-CD 4.29Å |
| 1423 | C | 49.9 | Very low | 48.4 | Very low | 27 Ų | 27 | 51.9 Ų | 51.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | trans | -67.6 | 114.6 | 178.6 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | F1226 Y1409 F1420 | F1226-C1423 WeakPolarHBondContact CE2-O 3.33Å; Y1409-C1423 HydrophobicContact CD1-CB 3.32Å; Y1409-C1423 VanDerWaalsContact CD1-SG 3.56Å; Y1409-C1423 HydrophobicContact CE1-CB 3.37Å; Y1409-C1423 HydrophobicContact CG-CB 4.23Å; F1420-C1423 VanDerWaalsContact CA-SG 3.58Å; F1420-C1423 HydrophobicContact CB-CB 4.09Å; F1420-C1423 WeakPolarHBondContact O-CB 3.37Å; F1420-C1423 PolarHBondContact O-N 3.02Å | ||
| 1424 | R | 49.7 | Very low | 48.6 | Very low | 65 Ų | 65 | 51 Ų | 51 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | trans | -131.1 | 146.6 | 170 | -60.7 | -61.7 | 178.3 | 156 | 9 | 110.1 | D1219 Y1409 L1422 V1426 Y1432 | D1219-R1424 IonicContact OD1-CZ 2.66Å; D1219-R1424 IonicContact OD1-NH1 2.83Å; D1219-R1424 PolarHBondContact OD1-NH1 3.43Å; D1219-R1424 IonicContact OD1-NH2 3.54Å; D1219-R1424 PolarHBondContact OD1-NH2 2.74Å; D1219-R1424 VanDerWaalsContact OD1-NH2 3.08Å; D1219-R1424 IonicContact OD2-CZ 2.67Å; D1219-R1424 IonicContact OD2-NH1 2.69Å; D1219-R1424 IonicContact OD2-NH2 3.59Å; D1219-R1424 PolarHBondContact OD2-NH2 2.92Å; Y1409-R1424 WeakPolarHBondContact CE1-O 3.06Å; Y1409-R1424 WeakPolarHBondContact OH-CA 3.45Å; Y1409-R1424 PolarHBondContact OH-O 2.98Å; L1422-R1424 PolarHBondContact O-N 2.92Å; R1424-V1426 PolarHBondContact O-N 3.23Å; R1424-Y1432 HydrophobicContact CB-CD2 3.81Å; R1424-Y1432 HydrophobicContact CB-CE2 3.98Å; R1424-Y1432 HydrophobicContact CB-CG 4.34Å; R1424-Y1432 HydrophobicContact CG-CD2 3.88Å; R1424-Y1432 HydrophobicContact CG-CE1 4.36Å; R1424-Y1432 HydrophobicContact CG-CE2 3.54Å; R1424-Y1432 HydrophobicContact CG-CG 4.47Å | ||
| 1425 | D | 42.5 | Very low | 48.1 | Very low | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | trans | -71.6 | 121.6 | -170 | -169.5 | -24.3 | 0 | 0 | 0 | 108.5 | F1226 Y1409 Y1427 | F1226-D1425 HydrophobicContact CE1-CB 4.15Å; F1226-D1425 HydrophobicContact CZ-CB 4.38Å; Y1409-D1425 WeakPolarHBondContact OH-CA 3.39Å; Y1409-D1425 PolarHBondContact OH-N 2.95Å; D1425-Y1427 VanDerWaalsContact OD1-CB 3.31Å; D1425-Y1427 WeakPolarHBondContact OD1-CB 3.33Å; D1425-Y1427 WeakPolarHBondContact OD1-CD2 3.35Å; D1425-Y1427 PolarHBondContact OD1-N 2.84Å | ||
| 1426 | V | 49.8 | Very low | 47.4 | Very low | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | trans | -107.5 | 20 | -175.1 | -96.1 | 0 | 0 | 0 | 0 | 112.1 | Q1408 R1424 G1428 H1429 Y1431 | Q1408-V1426 HydrophobicContact CB-CG2 4.28Å; Q1408-V1426 HydrophobicContact CG-CG2 4.27Å; R1424-V1426 PolarHBondContact O-N 3.23Å; V1426-G1428 PolarHBondContact O-N 2.82Å; V1426-G1428 VanDerWaalsContact O-N 3.09Å; V1426-H1429 WeakPolarHBondContact CB-O 3.35Å; V1426-H1429 WeakPolarHBondContact CG1-O 3.28Å; V1426-H1429 CarbonylContact O-C 3.6Å; V1426-H1429 PolarHBondContact O-N 2.81Å; V1426-H1429 VanDerWaalsContact O-N 3.12Å; V1426-Y1431 VanDerWaalsContact CG1-C 3.45Å; V1426-Y1431 WeakPolarHBondContact CG1-O 3.45Å | ||
| 1427 | Y | 37.6 | Very low | 46.3 | Very low | 178 Ų | 178 | 67.4 Ų | 67.4 | 70% | 0.698 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -60.7 | -13.1 | 172.5 | -93.2 | -115.3 | 0 | 0 | 0 | 115.1 | D1425 | D1425-Y1427 VanDerWaalsContact OD1-CB 3.31Å; D1425-Y1427 WeakPolarHBondContact OD1-CB 3.33Å; D1425-Y1427 WeakPolarHBondContact OD1-CD2 3.35Å; D1425-Y1427 PolarHBondContact OD1-N 2.84Å |
| 1428 | G | 35.2 | Very low | 45.3 | Very low | 58 Ų | 58 | 66.7 Ų | 66.7 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -89.6 | -37.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1426 | V1426-G1428 PolarHBondContact O-N 2.82Å; V1426-G1428 VanDerWaalsContact O-N 3.09Å |
| 1429 | H | 34.8 | Very low | 45.3 | Very low | 32 Ų | 32 | 73.9 Ų | 73.9 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | trans | -149.8 | 138.4 | -165.6 | -49 | -62.8 | 0 | 0 | 0 | 110.9 | Q397 S428 V1426 Y1431 | Q397-H1429 PolarHBondContact O-CE1 3.34Å; S428-H1429 PolarHBondContact OG-CE1 3.48Å; S428-H1429 PolarHBondContact OG-ND1 3.04Å; S428-H1429 VanDerWaalsContact OG-ND1 3.12Å; V1426-H1429 WeakPolarHBondContact CB-O 3.35Å; V1426-H1429 WeakPolarHBondContact CG1-O 3.28Å; V1426-H1429 CarbonylContact O-C 3.6Å; V1426-H1429 PolarHBondContact O-N 2.81Å; V1426-H1429 VanDerWaalsContact O-N 3.12Å; H1429-Y1431 HydrophobicContact CB-CD1 4.35Å; H1429-Y1431 HydrophobicContact CB-CD2 4.32Å; H1429-Y1431 HydrophobicContact CB-CE1 3.87Å; H1429-Y1431 HydrophobicContact CB-CE2 3.81Å; H1429-Y1431 AromaticContact CG-CZ 3.99Å; H1429-Y1431 PolarHBondContact O-N 3.07Å | ||
| 1430 | N | 36.1 | Very low | 45.5 | Very low | 112 Ų | 112 | 72.7 Ų | 72.7 | 60% | 0.599 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -71 | 22.8 | -177.8 | -61.4 | -63.7 | 0 | 0 | 0 | 114.8 | ||
| 1431 | Y | 35.8 | Very low | 46.3 | Very low | 12 Ų | 12 | 74.9 Ų | 74.9 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -153.5 | 150 | -178.9 | 54.3 | -98.4 | 0 | 0 | 0 | 111.6 | Q397 R426 V1426 H1429 Y1454 F1455 | Q397-Y1431 WeakPolarHBondContact CG-OH 3.09Å; R426-Y1431 HydrophobicContact CB-CE1 4.14Å; R426-Y1431 HydrophobicContact CB-CE2 4.15Å; R426-Y1431 WeakPolarHBondContact CB-OH 3.48Å; R426-Y1431 HydrophobicContact CG-CD1 4.25Å; R426-Y1431 HydrophobicContact CG-CE1 3.67Å; R426-Y1431 HydrophobicContact CG-CE2 4.23Å; R426-Y1431 VanDerWaalsContact NE-CD1 3.29Å; R426-Y1431 PolarHBondContact O-OH 3.04Å; V1426-Y1431 VanDerWaalsContact CG1-C 3.45Å; V1426-Y1431 WeakPolarHBondContact CG1-O 3.45Å; H1429-Y1431 HydrophobicContact CB-CD1 4.35Å; H1429-Y1431 HydrophobicContact CB-CD2 4.32Å; H1429-Y1431 HydrophobicContact CB-CE1 3.87Å; H1429-Y1431 HydrophobicContact CB-CE2 3.81Å; H1429-Y1431 AromaticContact CG-CZ 3.99Å; H1429-Y1431 PolarHBondContact O-N 3.07Å; Y1431-Y1454 AromaticContact CD2-CD1 3.38Å; Y1431-Y1454 HydrophobicContact CD2-CD1 3.38Å; Y1431-Y1454 AromaticContact CD2-CE1 3.59Å; Y1431-Y1454 HydrophobicContact CD2-CE1 3.59Å; Y1431-Y1454 HydrophobicContact CE2-CD1 4.1Å; Y1431-Y1454 AromaticContact CE2-CE1 3.81Å; Y1431-Y1454 HydrophobicContact CE2-CE1 3.81Å; Y1431-Y1454 AromaticContact CG-CD1 3.89Å; Y1431-Y1454 HydrophobicContact CG-CD1 3.89Å; Y1431-Y1454 HydrophobicContact CG-CE1 4.4Å; Y1431-F1455 CarbonylContact C-O 3.19Å; Y1431-F1455 WeakPolarHBondContact CA-O 3.48Å |
| 1432 | Y | 37.1 | Very low | 47.8 | Very low | 48 Ų | 48 | 76.1 Ų | 76.1 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.4 | 164.7 | 171.9 | -123.5 | 0 | 0 | 0 | 110.7 | R1424 K1434 Y1454 F1455 | R1424-Y1432 HydrophobicContact CB-CD2 3.81Å; R1424-Y1432 HydrophobicContact CB-CE2 3.98Å; R1424-Y1432 HydrophobicContact CB-CG 4.34Å; R1424-Y1432 HydrophobicContact CG-CD2 3.88Å; R1424-Y1432 HydrophobicContact CG-CE1 4.36Å; R1424-Y1432 HydrophobicContact CG-CE2 3.54Å; R1424-Y1432 HydrophobicContact CG-CG 4.47Å; Y1432-K1434 HydrophobicContact CE1-CB 3.9Å; Y1432-K1434 HydrophobicContact CE1-CG 4.21Å; Y1432-Y1454 WeakPolarHBondContact O-CA 3.4Å; Y1432-F1455 AromaticContact CD1-CD2 3.82Å; Y1432-F1455 HydrophobicContact CD1-CD2 3.82Å; Y1432-F1455 HydrophobicContact CD1-CE2 4.42Å; Y1432-F1455 PolarHBondContact N-O 2.84Å; Y1432-F1455 PolarHBondContact O-N 2.85Å |
| 1433 | H | 41.6 | Very low | 49.6 | Very low | 51 Ų | 51 | 73.9 Ų | 73.9 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126 | 173.8 | -172.8 | -127.6 | 0 | 0 | 0 | 111.2 | Y1454 | H1433-Y1454 HydrophobicContact CB-CD1 3.71Å; H1433-Y1454 HydrophobicContact CB-CE1 3.42Å; H1433-Y1454 VanDerWaalsContact CB-CE1 3.42Å; H1433-Y1454 HydrophobicContact CB-CG 4.48Å; H1433-Y1454 AromaticContact CD2-CD1 3.99Å; H1433-Y1454 AromaticContact CD2-CD2 3.7Å; H1433-Y1454 AromaticContact CD2-CE1 3.7Å; H1433-Y1454 AromaticContact CD2-CE2 3.37Å; H1433-Y1454 WeakPolarHBondContact CD2-CE2 3.39Å; H1433-Y1454 AromaticContact CD2-CZ 3.37Å; H1433-Y1454 AromaticContact CG-CE1 3.61Å; H1433-Y1454 AromaticContact CG-CZ 3.59Å; H1433-Y1454 AromaticContact NE2-CE2 3.78Å; H1433-Y1454 AromaticContact NE2-CZ 3.91Å |
| 1434 | K | 46.4 | Very low | 51.5 | Low | 25 Ų | 25 | 76 Ų | 76 | 11% | 0.109 | 39% | 0.391 | C | S | . | . | trans | -99.4 | 99.8 | -174.8 | -163.9 | -175.2 | -166.6 | -174.3 | 0 | 112.3 | L1422 Y1432 A1438 K1439 L1440 F1455 | L1422-K1434 HydrophobicContact CD2-CD 4.29Å; Y1432-K1434 HydrophobicContact CE1-CB 3.9Å; Y1432-K1434 HydrophobicContact CE1-CG 4.21Å; K1434-A1438 PolarHBondContact NZ-O 2.73Å; K1434-K1439 PolarHBondContact NZ-O 2.88Å; K1434-L1440 HydrophobicContact CD-CD2 3.56Å; K1434-L1440 HydrophobicContact CD-CG 4.36Å; K1434-F1455 HydrophobicContact CB-CE2 4.25Å | ||
| 1435 | T | 41 | Very low | 53.3 | Low | 127 Ų | 127 | 73.3 Ų | 73.3 | 78% | 0.779 | 38% | 0.382 | S | S | * | . | trans | -85.7 | 1.1 | -177.6 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1436 | S | 38.8 | Very low | 55.5 | Low | 69 Ų | 69 | 69.1 Ų | 69.1 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -112.4 | 149.5 | -176 | 68 | 0 | 0 | 0 | 0 | 113.5 | A1438 | S1436-A1438 PolarHBondContact O-N 3.22Š|
| 1437 | H | 44.4 | Very low | 57.5 | Low | 210 Ų | 210 | 67.9 Ų | 67.9 | 97% | 0.972 | 35% | 0.352 | S | S | * | . | trans | -64.7 | 12.2 | -178.3 | -64.6 | -71.7 | 0 | 0 | 0 | 115.9 | ||||
| 1438 | A | 48.8 | Very low | 59.8 | Low | 49 Ų | 49 | 60.5 Ų | 60.5 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | trans | -72 | 134.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1434 S1436 | K1434-A1438 PolarHBondContact NZ-O 2.73Å; S1436-A1438 PolarHBondContact O-N 3.22Å | ||
| 1439 | K | 57 | Low | 62 | Low | 192 Ų | 192 | 57.9 Ų | 57.9 | 84% | 0.835 | 30% | 0.296 | S | S | * | . | trans | -44.2 | 143.5 | -174.2 | -62.2 | -178.6 | -179.6 | -179.1 | 0 | 113.5 | K1434 | K1434-K1439 PolarHBondContact NZ-O 2.88Š| ||
| 1440 | L | 66 | Low | 64.3 | Low | 61 Ų | 61 | 57.7 Ų | 57.7 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | trans | -116.5 | 145.1 | -178.7 | -76.6 | 175.4 | 0 | 0 | 0 | 111.6 | K1434 I1442 M1445 F1455 | K1434-L1440 HydrophobicContact CD-CD2 3.56Å; K1434-L1440 HydrophobicContact CD-CG 4.36Å; L1440-I1442 HydrophobicContact CB-CG1 4.29Å; L1440-I1442 PolarHBondContact O-N 3.13Å; L1440-M1445 HydrophobicContact CB-SD 3.95Å; L1440-M1445 HydrophobicContact CD1-CE 4.37Å; L1440-M1445 HydrophobicContact CD2-SD 4.43Å; L1440-F1455 HydrophobicContact CD2-CZ 3.79Å | ||
| 1441 | P | 76.1 | Confident | 66.4 | Low | 51 Ų | 51 | 56.6 Ų | 56.6 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | trans | -83.1 | 60.2 | -178.6 | 36 | -36.2 | 0 | 0 | 0 | 111.7 | R1443 W1444 M1445 | P1441-R1443 PolarHBondContact O-N 3.13Å; P1441-W1444 HydrophobicContact CB-CE3 4.03Å; P1441-W1444 PolarHBondContact O-N 2.68Å; P1441-M1445 HydrophobicContact CG-CG 4.16Å; P1441-M1445 HydrophobicContact CG-SD 4.42Å; P1441-M1445 PolarHBondContact O-N 3.31Å | ||
| 1442 | I | 83.9 | Confident | 68.1 | Low | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -34.8 | -167.9 | -68.5 | 171.3 | 0 | 0 | 0 | 114.2 | L1440 W1444 M1445 L1450 H1484 V1487 V1488 | L1440-I1442 HydrophobicContact CB-CG1 4.29Å; L1440-I1442 PolarHBondContact O-N 3.13Å; I1442-W1444 VanDerWaalsContact C-N 3.31Å; I1442-W1444 PolarHBondContact O-N 3.22Å; I1442-M1445 HydrophobicContact CG1-SD 4.48Å; I1442-L1450 HydrophobicContact CB-CD2 4.49Å; I1442-L1450 HydrophobicContact CG2-CD2 3.96Å; I1442-H1484 HydrophobicContact CD1-CB 3.85Å; I1442-H1484 HydrophobicContact CG2-CB 4.09Å; I1442-V1487 HydrophobicContact CG2-CG1 4.48Å; I1442-V1488 HydrophobicContact CG2-CG2 3.94Å |
| 1443 | R | 88.6 | Confident | 69.6 | Low | 26 Ų | 26 | 56.4 Ų | 56.4 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.9 | -178.5 | -61.7 | 170.4 | -178.4 | -80.3 | -12.4 | 115.2 | P1441 P1478 Y1479 M1482 V1487 | P1441-R1443 PolarHBondContact O-N 3.13Å; R1443-P1478 HydrophobicContact CB-CB 4.32Å; R1443-P1478 WeakPolarHBondContact CD-O 3.32Å; R1443-P1478 PolarHBondContact NH1-O 2.91Å; R1443-Y1479 HydrophobicContact CB-CD2 4.42Å; R1443-Y1479 PolarHBondContact NH1-O 3.36Å; R1443-Y1479 WeakPolarHBondContact O-CE2 2.83Å; R1443-M1482 PolarHBondContact NH2-O 3.17Å; R1443-V1487 HydrophobicContact CG-CG1 4.5Å; R1443-V1487 HydrophobicContact CG-CG2 4.5Å |
| 1444 | W | 90.2 | Very high | 70.6 | Confident | 72 Ų | 72 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -17.4 | 178 | -64.9 | -99 | 0 | 0 | 0 | 112.4 | P1441 I1442 S1463 V1466 E1470 L1477 P1478 | P1441-W1444 HydrophobicContact CB-CE3 4.03Å; P1441-W1444 PolarHBondContact O-N 2.68Å; I1442-W1444 VanDerWaalsContact C-N 3.31Å; I1442-W1444 PolarHBondContact O-N 3.22Å; W1444-S1463 WeakPolarHBondContact O-CA 3.23Å; W1444-S1463 PolarHBondContact O-OG 2.97Å; W1444-S1463 VanDerWaalsContact O-OG 3.09Å; W1444-V1466 HydrophobicContact CG-CB 4.49Å; W1444-V1466 HydrophobicContact CG-CG1 4.11Å; W1444-E1470 PolarHBondContact NE1-OE2 2.65Å; W1444-L1477 HydrophobicContact CH2-CD1 4.39Å; W1444-P1478 HydrophobicContact CZ2-CG 4.06Å |
| 1445 | M | 87.8 | Confident | 71.6 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | trans | -68.7 | 143 | -175.1 | -72.5 | 171.7 | 64.4 | 0 | 0 | 112.8 | L1440 P1441 I1442 S1449 L1450 F1455 W1462 | L1440-M1445 HydrophobicContact CB-SD 3.95Å; L1440-M1445 HydrophobicContact CD1-CE 4.37Å; L1440-M1445 HydrophobicContact CD2-SD 4.43Å; P1441-M1445 HydrophobicContact CG-CG 4.16Å; P1441-M1445 HydrophobicContact CG-SD 4.42Å; P1441-M1445 PolarHBondContact O-N 3.31Å; I1442-M1445 HydrophobicContact CG1-SD 4.48Å; M1445-S1449 VanDerWaalsContact CE-O 3.25Å; M1445-S1449 WeakPolarHBondContact CE-O 3.43Å; M1445-L1450 HydrophobicContact CB-CD2 3.58Å; M1445-L1450 HydrophobicContact CB-CG 3.8Å; M1445-L1450 HydrophobicContact CE-CD2 4.05Å; M1445-L1450 HydrophobicContact CG-CD2 4.43Å; M1445-L1450 HydrophobicContact SD-CD2 4.14Å; M1445-F1455 HydrophobicContact CE-CE1 3.8Å; M1445-F1455 HydrophobicContact CE-CZ 3.8Å; M1445-F1455 HydrophobicContact CG-CE1 4.19Å; M1445-F1455 HydrophobicContact SD-CE1 4.23Å; M1445-F1455 HydrophobicContact SD-CZ 4.47Å; M1445-W1462 PolarHBondContact O-NE1 3.27Å | ||
| 1446 | A | 89.5 | Confident | 73 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -72.9 | 160.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1448 S1449 L1450 W1462 | A1446-E1448 VanDerWaalsContact C-N 3.29Å; A1446-E1448 VanDerWaalsContact CB-CD 3.45Å; A1446-E1448 VanDerWaalsContact CB-OE1 3.25Å; A1446-E1448 WeakPolarHBondContact CB-OE1 3.13Å; A1446-E1448 WeakPolarHBondContact CB-OE2 3.1Å; A1446-E1448 PolarHBondContact O-N 3.34Å; A1446-S1449 CarbonylContact O-C 3.56Å; A1446-S1449 WeakPolarHBondContact O-CA 3.31Å; A1446-S1449 WeakPolarHBondContact O-CB 3.28Å; A1446-S1449 PolarHBondContact O-N 3.45Å; A1446-L1450 WeakPolarHBondContact O-CG 3.27Å; A1446-L1450 PolarHBondContact O-N 3.17Å; A1446-W1462 VanDerWaalsContact CA-CD1 3.47Å; A1446-W1462 HydrophobicContact CB-CB 3.7Å; A1446-W1462 HydrophobicContact CB-CD2 4.1Å; A1446-W1462 HydrophobicContact CB-CG 3.63Å | ||
| 1447 | P | 90.5 | Very high | 74.8 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52 | -44.2 | 178 | -26.8 | 33.7 | 0 | 0 | 0 | 113.4 | S1449 L1450 Q1451 W1462 V1491 L1492 F1520 | P1447-S1449 PolarHBondContact O-N 3Å; P1447-L1450 PolarHBondContact O-N 2.04Å; P1447-Q1451 WeakPolarHBondContact O-CB 3.28Å; P1447-Q1451 WeakPolarHBondContact O-CG 3.49Å; P1447-Q1451 PolarHBondContact O-N 2.62Å; P1447-W1462 HydrophobicContact CG-CE3 4.15Å; P1447-W1462 HydrophobicContact CG-CH2 3.66Å; P1447-W1462 HydrophobicContact CG-CZ2 4.11Å; P1447-W1462 HydrophobicContact CG-CZ3 3.67Å; P1447-V1491 HydrophobicContact CB-CG1 4.49Å; P1447-V1491 HydrophobicContact CG-CG1 3.89Å; P1447-L1492 HydrophobicContact CB-CD2 3.85Å; P1447-L1492 WeakPolarHBondContact O-CD2 3.45Å; P1447-F1520 HydrophobicContact CB-CD2 4.22Å; P1447-F1520 HydrophobicContact CB-CE2 3.66Å; P1447-F1520 HydrophobicContact CB-CZ 3.84Å; P1447-F1520 HydrophobicContact CG-CD2 3.77Å; P1447-F1520 HydrophobicContact CG-CE2 3.63Å; P1447-F1520 HydrophobicContact CG-CZ 4.3Å |
| 1448 | E | 85.3 | Confident | 76.7 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -35.4 | 177.7 | 68.6 | -77.5 | -175.4 | 0 | 0 | 112.7 | A1446 T1452 S1459 P1522 R1525 | A1446-E1448 VanDerWaalsContact C-N 3.29Å; A1446-E1448 VanDerWaalsContact CB-CD 3.45Å; A1446-E1448 VanDerWaalsContact CB-OE1 3.25Å; A1446-E1448 WeakPolarHBondContact CB-OE1 3.13Å; A1446-E1448 WeakPolarHBondContact CB-OE2 3.1Å; A1446-E1448 PolarHBondContact O-N 3.34Å; E1448-T1452 PolarHBondContact O-N 3Å; E1448-T1452 PolarHBondContact O-OG1 3.4Å; E1448-S1459 WeakPolarHBondContact OE1-CA 3.27Å; E1448-S1459 WeakPolarHBondContact OE1-CB 3.29Å; E1448-P1522 HydrophobicContact CG-CG 4.31Å; E1448-R1525 IonicContact OE1-CZ 2.66Å; E1448-R1525 IonicContact OE1-NH1 3.7Å; E1448-R1525 PolarHBondContact OE1-NH1 3.49Å; E1448-R1525 IonicContact OE1-NH2 2.77Å; E1448-R1525 IonicContact OE2-CZ 3.31Å; E1448-R1525 IonicContact OE2-NH1 3.16Å; E1448-R1525 PolarHBondContact OE2-NH1 2.95Å; E1448-R1525 IonicContact OE2-NH2 3.8Å; E1448-R1525 PolarHBondContact OE2-NH2 2.98Å |
| 1449 | S | 81.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.1 | -35.9 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | M1445 A1446 P1447 A1453 Y1454 S1459 | M1445-S1449 VanDerWaalsContact CE-O 3.25Å; M1445-S1449 WeakPolarHBondContact CE-O 3.43Å; A1446-S1449 CarbonylContact O-C 3.56Å; A1446-S1449 WeakPolarHBondContact O-CA 3.31Å; A1446-S1449 WeakPolarHBondContact O-CB 3.28Å; A1446-S1449 PolarHBondContact O-N 3.45Å; P1447-S1449 PolarHBondContact O-N 3Å; S1449-A1453 WeakPolarHBondContact O-CA 3.45Å; S1449-A1453 PolarHBondContact O-N 3.24Å; S1449-Y1454 VanDerWaalsContact CA-O 3.23Å; S1449-Y1454 WeakPolarHBondContact CA-O 3.29Å; S1449-Y1454 WeakPolarHBondContact CB-O 3.43Å; S1449-Y1454 PolarHBondContact OG-O 3.27Å; S1449-S1459 WeakPolarHBondContact OG-CB 3.21Å |
| 1450 | L | 84.9 | Confident | 79.7 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.8 | -38.7 | 175.1 | -69.6 | 177.8 | 0 | 0 | 0 | 112.1 | I1442 M1445 A1446 P1447 V1488 V1491 L1492 | I1442-L1450 HydrophobicContact CB-CD2 4.49Å; I1442-L1450 HydrophobicContact CG2-CD2 3.96Å; M1445-L1450 HydrophobicContact CB-CD2 3.58Å; M1445-L1450 HydrophobicContact CB-CG 3.8Å; M1445-L1450 HydrophobicContact CE-CD2 4.05Å; M1445-L1450 HydrophobicContact CG-CD2 4.43Å; M1445-L1450 HydrophobicContact SD-CD2 4.14Å; A1446-L1450 WeakPolarHBondContact O-CG 3.27Å; A1446-L1450 PolarHBondContact O-N 3.17Å; P1447-L1450 PolarHBondContact O-N 2.04Å; L1450-V1488 HydrophobicContact CD1-CG2 4.43Å; L1450-V1488 HydrophobicContact CD2-CG2 4.06Å; L1450-V1491 HydrophobicContact CD1-CB 4.03Å; L1450-V1491 HydrophobicContact CD1-CG1 3.84Å; L1450-L1492 HydrophobicContact CB-CD2 4.3Å |
| 1451 | Q | 79.6 | Confident | 80.8 | Confident | 89 Ų | 89 | 28.9 Ų | 28.9 | 42% | 0.416 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 175.9 | -76.4 | -179.4 | 7.9 | 0 | 0 | 112.8 | P1447 L1492 | P1447-Q1451 WeakPolarHBondContact O-CB 3.28Å; P1447-Q1451 WeakPolarHBondContact O-CG 3.49Å; P1447-Q1451 PolarHBondContact O-N 2.62Å; Q1451-L1492 HydrophobicContact CG-CD1 3.78Å; Q1451-L1492 HydrophobicContact CG-CD2 3.73Å; Q1451-L1492 HydrophobicContact CG-CG 4.41Å |
| 1452 | T | 71.8 | Confident | 81.5 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -123.3 | -7.8 | -163 | 67.9 | 0 | 0 | 0 | 0 | 115.3 | F459 E1448 Y1454 | F459-T1452 HydrophobicContact CD1-CG2 4.48Å; F459-T1452 HydrophobicContact CE1-CG2 3.92Å; E1448-T1452 PolarHBondContact O-N 3Å; E1448-T1452 PolarHBondContact O-OG1 3.4Å; T1452-Y1454 VanDerWaalsContact C-N 3.29Å; T1452-Y1454 WeakPolarHBondContact O-CD2 3.25Å; T1452-Y1454 VanDerWaalsContact O-CE2 3.24Å; T1452-Y1454 WeakPolarHBondContact O-CE2 3.5Å; T1452-Y1454 PolarHBondContact O-N 2.71Å; T1452-Y1454 WeakPolarHBondContact OG1-CD2 3.12Å |
| 1453 | A | 68.6 | Low | 81.8 | Confident | 28 Ų | 28 | 26.1 Ų | 26.1 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | trans | 62.4 | 28.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | S1449 F1455 | S1449-A1453 WeakPolarHBondContact O-CA 3.45Å; S1449-A1453 PolarHBondContact O-N 3.24Å; A1453-F1455 VanDerWaalsContact O-CE2 3.3Å; A1453-F1455 WeakPolarHBondContact O-CE2 3.2Å | ||
| 1454 | Y | 62.2 | Low | 82 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.4 | 176.3 | -68.2 | -98.2 | 0 | 0 | 0 | 113.3 | Y393 V425 R426 Y1431 Y1432 H1433 S1449 T1452 | Y393-Y1454 PolarHBondContact OH-OH 2.82Å; V425-Y1454 HydrophobicContact CG1-CE2 4.39Å; R426-Y1454 HydrophobicContact CB-CE1 4.47Å; R426-Y1454 VanDerWaalsContact CD-CD1 3.45Å; R426-Y1454 VanDerWaalsContact CD-CZ 3.45Å; R426-Y1454 HydrophobicContact CG-CE1 4.38Å; R426-Y1454 VanDerWaalsContact CZ-CG 3.42Å; Y1431-Y1454 AromaticContact CD2-CD1 3.38Å; Y1431-Y1454 HydrophobicContact CD2-CD1 3.38Å; Y1431-Y1454 AromaticContact CD2-CE1 3.59Å; Y1431-Y1454 HydrophobicContact CD2-CE1 3.59Å; Y1431-Y1454 HydrophobicContact CE2-CD1 4.1Å; Y1431-Y1454 AromaticContact CE2-CE1 3.81Å; Y1431-Y1454 HydrophobicContact CE2-CE1 3.81Å; Y1431-Y1454 AromaticContact CG-CD1 3.89Å; Y1431-Y1454 HydrophobicContact CG-CD1 3.89Å; Y1431-Y1454 HydrophobicContact CG-CE1 4.4Å; Y1432-Y1454 WeakPolarHBondContact O-CA 3.4Å; H1433-Y1454 HydrophobicContact CB-CD1 3.71Å; H1433-Y1454 HydrophobicContact CB-CE1 3.42Å; H1433-Y1454 VanDerWaalsContact CB-CE1 3.42Å; H1433-Y1454 HydrophobicContact CB-CG 4.48Å; H1433-Y1454 AromaticContact CD2-CD1 3.99Å; H1433-Y1454 AromaticContact CD2-CD2 3.7Å; H1433-Y1454 AromaticContact CD2-CE1 3.7Å; H1433-Y1454 AromaticContact CD2-CE2 3.37Å; H1433-Y1454 WeakPolarHBondContact CD2-CE2 3.39Å; H1433-Y1454 AromaticContact CD2-CZ 3.37Å; H1433-Y1454 AromaticContact CG-CE1 3.61Å; H1433-Y1454 AromaticContact CG-CZ 3.59Å; H1433-Y1454 AromaticContact NE2-CE2 3.78Å; H1433-Y1454 AromaticContact NE2-CZ 3.91Å; S1449-Y1454 VanDerWaalsContact CA-O 3.23Å; S1449-Y1454 WeakPolarHBondContact CA-O 3.29Å; S1449-Y1454 WeakPolarHBondContact CB-O 3.43Å; S1449-Y1454 PolarHBondContact OG-O 3.27Å; T1452-Y1454 VanDerWaalsContact C-N 3.29Å; T1452-Y1454 WeakPolarHBondContact O-CD2 3.25Å; T1452-Y1454 VanDerWaalsContact O-CE2 3.24Å; T1452-Y1454 WeakPolarHBondContact O-CE2 3.5Å; T1452-Y1454 PolarHBondContact O-N 2.71Å; T1452-Y1454 WeakPolarHBondContact OG1-CD2 3.12Å |
| 1455 | F | 67.1 | Low | 82.2 | Confident | 29 Ų | 29 | 21.7 Ų | 21.7 | 13% | 0.127 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.4 | -175.6 | -52.2 | -89.9 | 0 | 0 | 0 | 109.9 | Y1431 Y1432 K1434 L1440 M1445 A1453 | Y1431-F1455 CarbonylContact C-O 3.19Å; Y1431-F1455 WeakPolarHBondContact CA-O 3.48Å; Y1432-F1455 AromaticContact CD1-CD2 3.82Å; Y1432-F1455 HydrophobicContact CD1-CD2 3.82Å; Y1432-F1455 HydrophobicContact CD1-CE2 4.42Å; Y1432-F1455 PolarHBondContact N-O 2.84Å; Y1432-F1455 PolarHBondContact O-N 2.85Å; K1434-F1455 HydrophobicContact CB-CE2 4.25Å; L1440-F1455 HydrophobicContact CD2-CZ 3.79Å; M1445-F1455 HydrophobicContact CE-CE1 3.8Å; M1445-F1455 HydrophobicContact CE-CZ 3.8Å; M1445-F1455 HydrophobicContact CG-CE1 4.19Å; M1445-F1455 HydrophobicContact SD-CE1 4.23Å; M1445-F1455 HydrophobicContact SD-CZ 4.47Å; A1453-F1455 VanDerWaalsContact O-CE2 3.3Å; A1453-F1455 WeakPolarHBondContact O-CE2 3.2Å |
| 1456 | T | 71.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 21.3 Ų | 21.3 | 20% | 0.202 | 12% | 0.118 | C | C | . | . | trans | -146.9 | 164.3 | -175.6 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | Q1458 S1459 D1460 | T1456-Q1458 PolarHBondContact O-N 2.88Å; T1456-Q1458 PolarHBondContact OG1-N 3.17Å; T1456-S1459 PolarHBondContact N-OG 2.96Å; T1456-S1459 PolarHBondContact O-N 3.29Å; T1456-S1459 PolarHBondContact O-OG 3.08Å; T1456-S1459 PolarHBondContact OG1-N 2.83Å; T1456-D1460 PolarHBondContact O-N 3.4Å | ||
| 1457 | T | 76 | Confident | 82.5 | Confident | 53 Ų | 53 | 23.1 Ų | 23.1 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -51 | -36 | 173.6 | -39.4 | 0 | 0 | 0 | 0 | 112.6 | D1460 V1461 F1528 | T1457-D1460 WeakPolarHBondContact O-CB 3.25Å; T1457-D1460 PolarHBondContact O-N 2.86Å; T1457-V1461 WeakPolarHBondContact O-CG2 3.05Å; T1457-V1461 PolarHBondContact O-N 2.98Å; T1457-F1528 HydrophobicContact CG2-CD2 3.82Å; T1457-F1528 HydrophobicContact CG2-CE2 3.99Å |
| 1458 | Q | 84.1 | Confident | 82.6 | Confident | 38 Ų | 38 | 23 Ų | 23 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.5 | -25.5 | 179.8 | -57.1 | -57.2 | 95.9 | 0 | 0 | 113.3 | T1456 D1460 W1462 P1522 R1525 | T1456-Q1458 PolarHBondContact O-N 2.88Å; T1456-Q1458 PolarHBondContact OG1-N 3.17Å; Q1458-D1460 VanDerWaalsContact C-N 3.32Å; Q1458-W1462 PolarHBondContact O-N 2.84Å; Q1458-P1522 HydrophobicContact CB-CB 3.81Å; Q1458-P1522 HydrophobicContact CG-CB 4.42Å; Q1458-P1522 PolarHBondContact NE2-O 3.48Å; Q1458-R1525 PolarHBondContact NE2-O 3.14Å; Q1458-R1525 WeakPolarHBondContact O-CD 3.2Å; Q1458-R1525 PolarHBondContact O-NH1 2.83Å |
| 1459 | S | 84.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.4 | -28.9 | 168.8 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | E1448 S1449 T1456 W1462 S1463 | E1448-S1459 WeakPolarHBondContact OE1-CA 3.27Å; E1448-S1459 WeakPolarHBondContact OE1-CB 3.29Å; S1449-S1459 WeakPolarHBondContact OG-CB 3.21Å; T1456-S1459 PolarHBondContact N-OG 2.96Å; T1456-S1459 PolarHBondContact O-N 3.29Å; T1456-S1459 PolarHBondContact O-OG 3.08Å; T1456-S1459 PolarHBondContact OG1-N 2.83Å; S1459-W1462 WeakPolarHBondContact O-CB 3.44Å; S1459-W1462 PolarHBondContact O-N 3.11Å; S1459-S1463 PolarHBondContact O-N 3.38Å; S1459-S1463 PolarHBondContact O-OG 3Å |
| 1460 | D | 84 | Confident | 83.4 | Confident | 51 Ų | 51 | 24.3 Ų | 24.3 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -71.7 | -34.6 | 173.4 | -63 | -9.6 | 0 | 0 | 0 | 111 | M1401 T1456 T1457 Q1458 W1462 S1463 Y1464 F1528 | M1401-D1460 HydrophobicContact CE-CB 3.51Å; M1401-D1460 WeakPolarHBondContact CE-OD2 3.21Å; T1456-D1460 PolarHBondContact O-N 3.4Å; T1457-D1460 WeakPolarHBondContact O-CB 3.25Å; T1457-D1460 PolarHBondContact O-N 2.86Å; Q1458-D1460 VanDerWaalsContact C-N 3.32Å; D1460-W1462 VanDerWaalsContact C-N 3.35Å; D1460-S1463 CarbonylContact O-C 3.55Å; D1460-S1463 WeakPolarHBondContact O-CB 3.03Å; D1460-S1463 PolarHBondContact O-N 3.38Å; D1460-Y1464 WeakPolarHBondContact O-CB 3.46Å; D1460-Y1464 PolarHBondContact O-N 2.76Å; D1460-F1528 HydrophobicContact CB-CE2 4.07Å; D1460-F1528 HydrophobicContact CB-CZ 4.13Å |
| 1461 | V | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 169.8 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | T1457 Y1464 G1465 C1517 R1525 P1526 F1528 L1531 | T1457-V1461 WeakPolarHBondContact O-CG2 3.05Å; T1457-V1461 PolarHBondContact O-N 2.98Å; V1461-Y1464 WeakPolarHBondContact O-CB 3.44Å; V1461-Y1464 PolarHBondContact O-N 3.07Å; V1461-G1465 PolarHBondContact O-N 2.82Å; V1461-C1517 HydrophobicContact CG1-CB 4.09Å; V1461-C1517 WeakPolarHBondContact O-CB 3.33Å; V1461-R1525 HydrophobicContact CG1-CB 3.88Å; V1461-P1526 HydrophobicContact CG1-CG 4.25Å; V1461-P1526 WeakPolarHBondContact CG1-O 2.9Å; V1461-P1526 VanDerWaalsContact CG2-O 3.25Å; V1461-P1526 WeakPolarHBondContact CG2-O 3.43Å; V1461-F1528 HydrophobicContact CB-CZ 4.27Å; V1461-F1528 HydrophobicContact CG2-CD1 4.37Å; V1461-F1528 HydrophobicContact CG2-CD2 3.89Å; V1461-F1528 HydrophobicContact CG2-CE1 4.02Å; V1461-F1528 HydrophobicContact CG2-CE2 3.49Å; V1461-F1528 VanDerWaalsContact CG2-CE2 3.49Å; V1461-F1528 HydrophobicContact CG2-CG 4.33Å; V1461-F1528 HydrophobicContact CG2-CZ 3.58Å; V1461-L1531 HydrophobicContact CG1-CD1 4.4Å |
| 1462 | W | 92.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 172 | 174.8 | -72.1 | 0 | 0 | 0 | 111.8 | M1445 A1446 P1447 Q1458 S1459 D1460 Y1464 G1465 V1466 V1491 T1496 C1517 W1518 | M1445-W1462 PolarHBondContact O-NE1 3.27Å; A1446-W1462 VanDerWaalsContact CA-CD1 3.47Å; A1446-W1462 HydrophobicContact CB-CB 3.7Å; A1446-W1462 HydrophobicContact CB-CD2 4.1Å; A1446-W1462 HydrophobicContact CB-CG 3.63Å; P1447-W1462 HydrophobicContact CG-CE3 4.15Å; P1447-W1462 HydrophobicContact CG-CH2 3.66Å; P1447-W1462 HydrophobicContact CG-CZ2 4.11Å; P1447-W1462 HydrophobicContact CG-CZ3 3.67Å; Q1458-W1462 PolarHBondContact O-N 2.84Å; S1459-W1462 WeakPolarHBondContact O-CB 3.44Å; S1459-W1462 PolarHBondContact O-N 3.11Å; D1460-W1462 VanDerWaalsContact C-N 3.35Å; W1462-Y1464 VanDerWaalsContact C-N 3.31Å; W1462-Y1464 PolarHBondContact O-N 3.06Å; W1462-G1465 WeakPolarHBondContact O-CA 3.17Å; W1462-G1465 PolarHBondContact O-N 2.85Å; W1462-G1465 VanDerWaalsContact O-N 3.12Å; W1462-V1466 PolarHBondContact O-N 3.43Å; W1462-V1491 HydrophobicContact CH2-CG1 4.15Å; W1462-V1491 HydrophobicContact CZ2-CG1 3.67Å; W1462-T1496 HydrophobicContact CH2-CG2 4.27Å; W1462-C1517 WeakPolarHBondContact CA-O 3.46Å; W1462-W1518 AromaticContact CD2-CD1 3.46Å; W1462-W1518 VanDerWaalsContact CD2-CD1 3.46Å; W1462-W1518 HydrophobicContact CD2-CG 4.32Å; W1462-W1518 AromaticContact CE2-CD1 3.64Å; W1462-W1518 HydrophobicContact CE3-CB 4.02Å; W1462-W1518 AromaticContact CE3-CD1 3.78Å; W1462-W1518 HydrophobicContact CE3-CG 4.27Å; W1462-W1518 AromaticContact CG-CD1 3.77Å; W1462-W1518 HydrophobicContact CH2-CB 4.14Å; W1462-W1518 HydrophobicContact CH2-CG 4.43Å; W1462-W1518 HydrophobicContact CZ2-CG 4.49Å; W1462-W1518 HydrophobicContact CZ3-CB 3.8Å; W1462-W1518 HydrophobicContact CZ3-CG 4.33Å; W1462-W1518 WeakPolarHBondContact CZ3-O 3.39Å; W1462-W1518 PolarHBondContact O-NE1 3.46Å; W1462-W1518 VanDerWaalsContact O-NE1 3.12Å |
| 1463 | S | 90.4 | Very high | 84.8 | Confident | 32 Ų | 32 | 19.7 Ų | 19.7 | 22% | 0.224 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 176.2 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | W1444 S1459 D1460 G1465 V1466 V1467 | W1444-S1463 WeakPolarHBondContact O-CA 3.23Å; W1444-S1463 PolarHBondContact O-OG 2.97Å; W1444-S1463 VanDerWaalsContact O-OG 3.09Å; S1459-S1463 PolarHBondContact O-N 3.38Å; S1459-S1463 PolarHBondContact O-OG 3Å; D1460-S1463 CarbonylContact O-C 3.55Å; D1460-S1463 WeakPolarHBondContact O-CB 3.03Å; D1460-S1463 PolarHBondContact O-N 3.38Å; S1463-G1465 VanDerWaalsContact C-N 3.35Å; S1463-V1466 WeakPolarHBondContact O-CA 3.44Å; S1463-V1466 WeakPolarHBondContact O-CB 3.44Å; S1463-V1466 PolarHBondContact O-N 2.68Å; S1463-V1467 PolarHBondContact O-N 3.38Å |
| 1464 | Y | 92.5 | Very high | 85.7 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 172.7 | 171.7 | -93.6 | 0 | 0 | 0 | 112.2 | A1394 I1397 A1398 D1460 V1461 W1462 V1466 V1467 L1468 F1528 L1531 L1535 | A1394-Y1464 PolarHBondContact O-OH 2.84Å; I1397-Y1464 HydrophobicContact CB-CD2 4.31Å; I1397-Y1464 HydrophobicContact CB-CE2 3.95Å; I1397-Y1464 HydrophobicContact CG2-CD2 3.58Å; I1397-Y1464 HydrophobicContact CG2-CE2 3.75Å; A1398-Y1464 HydrophobicContact CB-CE2 4.23Å; D1460-Y1464 WeakPolarHBondContact O-CB 3.46Å; D1460-Y1464 PolarHBondContact O-N 2.76Å; V1461-Y1464 WeakPolarHBondContact O-CB 3.44Å; V1461-Y1464 PolarHBondContact O-N 3.07Å; W1462-Y1464 VanDerWaalsContact C-N 3.31Å; W1462-Y1464 PolarHBondContact O-N 3.06Å; Y1464-V1466 VanDerWaalsContact C-N 3.26Å; Y1464-V1466 PolarHBondContact O-N 2.89Å; Y1464-V1467 CarbonylContact O-C 3.58Å; Y1464-V1467 WeakPolarHBondContact O-CA 3.01Å; Y1464-V1467 PolarHBondContact O-N 2.99Å; Y1464-L1468 HydrophobicContact CD1-CD1 4.25Å; Y1464-L1468 HydrophobicContact CD1-CG 4.25Å; Y1464-L1468 HydrophobicContact CE1-CD1 3.71Å; Y1464-L1468 HydrophobicContact CE1-CD2 4.11Å; Y1464-L1468 HydrophobicContact CE1-CG 3.9Å; Y1464-L1468 HydrophobicContact CE2-CD2 4.42Å; Y1464-L1468 PolarHBondContact O-N 3.06Å; Y1464-F1528 HydrophobicContact CD1-CE1 4.37Å; Y1464-F1528 HydrophobicContact CD2-CE1 4.04Å; Y1464-F1528 AromaticContact CG-CE1 3.85Å; Y1464-F1528 HydrophobicContact CG-CE1 3.85Å; Y1464-L1531 HydrophobicContact CD1-CD1 3.73Å; Y1464-L1531 HydrophobicContact CE1-CD1 3.56Å; Y1464-L1531 HydrophobicContact CE1-CD2 4Å; Y1464-L1531 HydrophobicContact CE1-CG 4.28Å; Y1464-L1535 VanDerWaalsContact OH-CD1 3.28Å; Y1464-L1535 WeakPolarHBondContact OH-CD1 3.27Å |
| 1465 | G | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.4 | -38.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1461 W1462 S1463 L1468 W1469 W1518 | V1461-G1465 PolarHBondContact O-N 2.82Å; W1462-G1465 WeakPolarHBondContact O-CA 3.17Å; W1462-G1465 PolarHBondContact O-N 2.85Å; W1462-G1465 VanDerWaalsContact O-N 3.12Å; S1463-G1465 VanDerWaalsContact C-N 3.35Å; G1465-L1468 PolarHBondContact O-N 3.22Å; G1465-W1469 PolarHBondContact O-N 2.94Å; G1465-W1469 VanDerWaalsContact O-N 3.13Å; G1465-W1518 WeakPolarHBondContact O-CZ2 3.41Å |
| 1466 | V | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | W1444 W1462 S1463 Y1464 W1469 E1470 P1478 L1497 W1518 | W1444-V1466 HydrophobicContact CG-CB 4.49Å; W1444-V1466 HydrophobicContact CG-CG1 4.11Å; W1462-V1466 PolarHBondContact O-N 3.43Å; S1463-V1466 WeakPolarHBondContact O-CA 3.44Å; S1463-V1466 WeakPolarHBondContact O-CB 3.44Å; S1463-V1466 PolarHBondContact O-N 2.68Å; Y1464-V1466 VanDerWaalsContact C-N 3.26Å; Y1464-V1466 PolarHBondContact O-N 2.89Å; V1466-W1469 WeakPolarHBondContact O-CB 3.4Å; V1466-W1469 PolarHBondContact O-N 2.85Å; V1466-E1470 WeakPolarHBondContact O-CG 3.46Å; V1466-E1470 PolarHBondContact O-N 2.84Å; V1466-P1478 HydrophobicContact CG1-CB 3.83Å; V1466-P1478 HydrophobicContact CG1-CG 3.43Å; V1466-P1478 VanDerWaalsContact CG1-CG 3.43Å; V1466-L1497 HydrophobicContact CG1-CD1 4.04Å; V1466-L1497 HydrophobicContact CG2-CD1 4.3Å; V1466-W1518 HydrophobicContact CB-CZ2 4.48Å; V1466-W1518 HydrophobicContact CG2-CZ2 3.98Å |
| 1467 | V | 91.3 | Very high | 88.3 | Confident | 39 Ų | 39 | 22.9 Ų | 22.9 | 24% | 0.236 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | I1397 S1463 Y1464 W1469 E1470 I1471 | I1397-V1467 HydrophobicContact CD1-CG1 3.81Å; S1463-V1467 PolarHBondContact O-N 3.38Å; Y1464-V1467 CarbonylContact O-C 3.58Å; Y1464-V1467 WeakPolarHBondContact O-CA 3.01Å; Y1464-V1467 PolarHBondContact O-N 2.99Å; V1467-W1469 VanDerWaalsContact C-N 3.32Å; V1467-W1469 PolarHBondContact O-N 2.93Å; V1467-E1470 PolarHBondContact O-N 3.02Å; V1467-I1471 HydrophobicContact CG1-CD1 4.24Å; V1467-I1471 VanDerWaalsContact O-CG1 3.32Å; V1467-I1471 WeakPolarHBondContact O-CG1 3.35Å; V1467-I1471 PolarHBondContact O-N 2.72Å |
| 1468 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 171.4 | -66.3 | -174.2 | 0 | 0 | 0 | 111.6 | A1394 Y1464 G1465 I1471 V1472 F1510 L1513 M1514 | A1394-L1468 HydrophobicContact CB-CD2 3.56Å; Y1464-L1468 HydrophobicContact CD1-CD1 4.25Å; Y1464-L1468 HydrophobicContact CD1-CG 4.25Å; Y1464-L1468 HydrophobicContact CE1-CD1 3.71Å; Y1464-L1468 HydrophobicContact CE1-CD2 4.11Å; Y1464-L1468 HydrophobicContact CE1-CG 3.9Å; Y1464-L1468 HydrophobicContact CE2-CD2 4.42Å; Y1464-L1468 PolarHBondContact O-N 3.06Å; G1465-L1468 PolarHBondContact O-N 3.22Å; L1468-I1471 PolarHBondContact O-N 2.91Å; L1468-V1472 PolarHBondContact O-N 2.67Å; L1468-F1510 HydrophobicContact CD2-CD1 4.43Å; L1468-F1510 HydrophobicContact CD2-CE1 3.92Å; L1468-F1510 HydrophobicContact CD2-CE2 4.23Å; L1468-F1510 HydrophobicContact CD2-CZ 3.83Å; L1468-L1513 HydrophobicContact CD1-CB 3.98Å; L1468-M1514 HydrophobicContact CB-CG 3.75Å; L1468-M1514 HydrophobicContact CB-SD 4.26Å; L1468-M1514 HydrophobicContact CD1-CG 4.17Å |
| 1469 | W | 92.1 | Very high | 89 | Confident | 31 Ų | 31 | 19.2 Ų | 19.2 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 175.3 | -170.9 | 91.2 | 0 | 0 | 0 | 112.3 | G1465 V1466 V1467 I1471 V1472 T1473 C1476 P1478 L1497 M1514 W1518 | G1465-W1469 PolarHBondContact O-N 2.94Å; G1465-W1469 VanDerWaalsContact O-N 3.13Å; V1466-W1469 WeakPolarHBondContact O-CB 3.4Å; V1466-W1469 PolarHBondContact O-N 2.85Å; V1467-W1469 VanDerWaalsContact C-N 3.32Å; V1467-W1469 PolarHBondContact O-N 2.93Å; W1469-I1471 VanDerWaalsContact C-N 3.32Å; W1469-I1471 PolarHBondContact O-N 2.67Å; W1469-V1472 WeakPolarHBondContact O-CG2 3.46Å; W1469-V1472 PolarHBondContact O-N 3.35Å; W1469-T1473 HydrophobicContact CD2-CG2 3.87Å; W1469-T1473 HydrophobicContact CE3-CG2 4.14Å; W1469-T1473 HydrophobicContact CG-CG2 4.49Å; W1469-T1473 HydrophobicContact CH2-CG2 4.07Å; W1469-T1473 HydrophobicContact CZ2-CG2 3.8Å; W1469-T1473 HydrophobicContact CZ3-CG2 4.22Å; W1469-T1473 WeakPolarHBondContact CZ3-OG1 3.41Å; W1469-T1473 WeakPolarHBondContact O-CB 3.27Å; W1469-T1473 WeakPolarHBondContact O-CG2 3.38Å; W1469-T1473 PolarHBondContact O-N 2.96Å; W1469-T1473 PolarHBondContact O-OG1 3.13Å; W1469-C1476 HydrophobicContact CH2-CB 4.24Å; W1469-C1476 HydrophobicContact CZ3-CB 4.2Å; W1469-P1478 HydrophobicContact CE3-CG 4.35Å; W1469-P1478 HydrophobicContact CZ3-CB 4.42Å; W1469-P1478 HydrophobicContact CZ3-CG 4.25Å; W1469-L1497 HydrophobicContact CB-CD1 4.13Å; W1469-L1497 HydrophobicContact CD2-CB 4.22Å; W1469-L1497 HydrophobicContact CD2-CD1 3.69Å; W1469-L1497 HydrophobicContact CD2-CG 4.39Å; W1469-L1497 HydrophobicContact CE3-CD1 3.95Å; W1469-L1497 HydrophobicContact CG-CB 4.12Å; W1469-L1497 HydrophobicContact CG-CD1 3.78Å; W1469-L1497 HydrophobicContact CZ2-CD2 4.31Å; W1469-M1514 HydrophobicContact CB-SD 3.67Å; W1469-M1514 HydrophobicContact CG-SD 4.29Å; W1469-W1518 HydrophobicContact CB-CH2 3.84Å; W1469-W1518 HydrophobicContact CB-CZ2 4.19Å; W1469-W1518 AromaticContact CD1-CH2 4Å; W1469-W1518 HydrophobicContact CG-CH2 4.13Å |
| 1470 | E | 91.4 | Very high | 89 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 173.7 | -73.3 | -177.8 | 110.9 | 0 | 0 | 111.9 | W1444 V1466 V1467 T1473 M1474 A1475 P1478 | W1444-E1470 PolarHBondContact NE1-OE2 2.65Å; V1466-E1470 WeakPolarHBondContact O-CG 3.46Å; V1466-E1470 PolarHBondContact O-N 2.84Å; V1467-E1470 PolarHBondContact O-N 3.02Å; E1470-T1473 PolarHBondContact O-N 2.8Å; E1470-M1474 PolarHBondContact O-N 2.94Å; E1470-A1475 WeakPolarHBondContact O-CA 3.19Å; E1470-A1475 PolarHBondContact O-N 2.87Å; E1470-P1478 HydrophobicContact CG-CG 3.94Å |
| 1471 | I | 90 | Very high | 89 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.8 | -70.8 | 164.6 | 0 | 0 | 0 | 111.7 | L1370 L1374 A1390 I1397 V1467 L1468 W1469 F1510 | L1370-I1471 HydrophobicContact CD2-CD1 4.17Å; L1370-I1471 HydrophobicContact CD2-CG1 3.95Å; L1374-I1471 HydrophobicContact CD1-CG1 4.28Å; A1390-I1471 HydrophobicContact CB-CG2 3.88Å; I1397-I1471 HydrophobicContact CD1-CD1 4.02Å; V1467-I1471 HydrophobicContact CG1-CD1 4.24Å; V1467-I1471 VanDerWaalsContact O-CG1 3.32Å; V1467-I1471 WeakPolarHBondContact O-CG1 3.35Å; V1467-I1471 PolarHBondContact O-N 2.72Å; L1468-I1471 PolarHBondContact O-N 2.91Å; W1469-I1471 VanDerWaalsContact C-N 3.32Å; W1469-I1471 PolarHBondContact O-N 2.67Å; I1471-F1510 HydrophobicContact CG2-CE2 4.06Å |
| 1472 | V | 89.2 | Confident | 88.9 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.8 | -25 | 178.9 | -62 | 0 | 0 | 0 | 0 | 113.8 | L1468 W1469 P1503 F1510 M1514 | L1468-V1472 PolarHBondContact O-N 2.67Å; W1469-V1472 WeakPolarHBondContact O-CG2 3.46Å; W1469-V1472 PolarHBondContact O-N 3.35Å; V1472-P1503 HydrophobicContact CG2-CB 4.17Å; V1472-P1503 HydrophobicContact CG2-CG 4.01Å; V1472-F1510 HydrophobicContact CG1-CD2 3.61Å; V1472-F1510 HydrophobicContact CG1-CE2 4.25Å; V1472-M1514 HydrophobicContact CG2-CE 4.47Å |
| 1473 | T | 87.8 | Confident | 88.3 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 18.3 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 114 | W1469 E1470 A1475 C1476 P1503 | W1469-T1473 HydrophobicContact CD2-CG2 3.87Å; W1469-T1473 HydrophobicContact CE3-CG2 4.14Å; W1469-T1473 HydrophobicContact CG-CG2 4.49Å; W1469-T1473 HydrophobicContact CH2-CG2 4.07Å; W1469-T1473 HydrophobicContact CZ2-CG2 3.8Å; W1469-T1473 HydrophobicContact CZ3-CG2 4.22Å; W1469-T1473 WeakPolarHBondContact CZ3-OG1 3.41Å; W1469-T1473 WeakPolarHBondContact O-CB 3.27Å; W1469-T1473 WeakPolarHBondContact O-CG2 3.38Å; W1469-T1473 PolarHBondContact O-N 2.96Å; W1469-T1473 PolarHBondContact O-OG1 3.13Å; E1470-T1473 PolarHBondContact O-N 2.8Å; T1473-A1475 PolarHBondContact O-N 2.93Å; T1473-C1476 PolarHBondContact O-N 3.41Å; T1473-C1476 VanDerWaalsContact O-N 3.07Å; T1473-C1476 PolarHBondContact O-SG 3.39Å; T1473-P1503 HydrophobicContact CG2-CB 3.91Å; T1473-P1503 HydrophobicContact CG2-CG 3.72Å |
| 1474 | M | 87 | Confident | 87.9 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.4 | 179.6 | -50.2 | -58.5 | -67.4 | 0 | 0 | 113.1 | L1374 R1375 L1377 Q1382 V1385 E1470 | L1374-M1474 WeakPolarHBondContact O-CE 3.45Å; R1375-M1474 WeakPolarHBondContact CG-O 3.36Å; L1377-M1474 HydrophobicContact CB-CE 3.79Å; Q1382-M1474 WeakPolarHBondContact O-CE 3.3Å; V1385-M1474 HydrophobicContact CG2-CE 4.27Å; V1385-M1474 HydrophobicContact CG2-SD 3.81Å; E1470-M1474 PolarHBondContact O-N 2.94Å |
| 1475 | A | 85.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 45.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1371 L1374 R1375 E1470 T1473 | A1371-A1475 HydrophobicContact CB-CB 3.67Å; L1374-A1475 HydrophobicContact CB-CB 3.97Å; L1374-A1475 HydrophobicContact CD1-CB 4Å; R1375-A1475 HydrophobicContact CG-CB 4.33Å; R1375-A1475 VanDerWaalsContact CZ-O 3.3Å; R1375-A1475 PolarHBondContact NE-O 2.97Å; R1375-A1475 PolarHBondContact NH2-O 2.81Å; E1470-A1475 WeakPolarHBondContact O-CA 3.19Å; E1470-A1475 PolarHBondContact O-N 2.87Å; T1473-A1475 PolarHBondContact O-N 2.93Å |
| 1476 | C | 84.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 152.8 | 158.5 | -78.7 | 0 | 0 | 0 | 0 | 111.4 | W1469 T1473 P1478 | W1469-C1476 HydrophobicContact CH2-CB 4.24Å; W1469-C1476 HydrophobicContact CZ3-CB 4.2Å; T1473-C1476 PolarHBondContact O-N 3.41Å; T1473-C1476 VanDerWaalsContact O-N 3.07Å; T1473-C1476 PolarHBondContact O-SG 3.39Å; C1476-P1478 WeakPolarHBondContact O-CD 3.44Å |
| 1477 | L | 84.2 | Confident | 87 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 123.9 | 176.9 | -178.4 | 68.5 | 0 | 0 | 0 | 110.7 | W1444 Y1479 R1480 | W1444-L1477 HydrophobicContact CH2-CD1 4.39Å; L1477-Y1479 PolarHBondContact O-N 3.46Å; L1477-R1480 HydrophobicContact CB-CB 4.48Å; L1477-R1480 WeakPolarHBondContact O-CB 3.38Å; L1477-R1480 PolarHBondContact O-N 2.04Å |
| 1478 | P | 88.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 135.8 | 173.6 | -26.7 | 36.6 | 0 | 0 | 0 | 112.1 | R1443 W1444 V1466 W1469 E1470 C1476 R1480 L1497 | R1443-P1478 HydrophobicContact CB-CB 4.32Å; R1443-P1478 WeakPolarHBondContact CD-O 3.32Å; R1443-P1478 PolarHBondContact NH1-O 2.91Å; W1444-P1478 HydrophobicContact CZ2-CG 4.06Å; V1466-P1478 HydrophobicContact CG1-CB 3.83Å; V1466-P1478 HydrophobicContact CG1-CG 3.43Å; V1466-P1478 VanDerWaalsContact CG1-CG 3.43Å; W1469-P1478 HydrophobicContact CE3-CG 4.35Å; W1469-P1478 HydrophobicContact CZ3-CB 4.42Å; W1469-P1478 HydrophobicContact CZ3-CG 4.25Å; E1470-P1478 HydrophobicContact CG-CG 3.94Å; C1476-P1478 WeakPolarHBondContact O-CD 3.44Å; P1478-R1480 VanDerWaalsContact C-N 3.28Å; P1478-R1480 PolarHBondContact O-N 3.49Å; P1478-L1497 HydrophobicContact CB-CD1 4Å; P1478-L1497 HydrophobicContact CB-CD2 4.19Å |
| 1479 | Y | 88.1 | Confident | 86.6 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.6 | -175.9 | -48 | -85.7 | 0 | 0 | 0 | 113.2 | R1443 L1477 G1481 M1482 V1487 Y1490 V1491 L1497 | R1443-Y1479 HydrophobicContact CB-CD2 4.42Å; R1443-Y1479 PolarHBondContact NH1-O 3.36Å; R1443-Y1479 WeakPolarHBondContact O-CE2 2.83Å; L1477-Y1479 PolarHBondContact O-N 3.46Å; Y1479-G1481 PolarHBondContact O-N 2.8Å; Y1479-M1482 HydrophobicContact CD1-SD 4.27Å; Y1479-M1482 PolarHBondContact O-N 2.92Å; Y1479-V1487 VanDerWaalsContact CB-CG2 3.44Å; Y1479-V1487 HydrophobicContact CD2-CG1 3.86Å; Y1479-V1487 HydrophobicContact CD2-CG2 4.22Å; Y1479-V1487 HydrophobicContact CE2-CG1 4.23Å; Y1479-V1487 HydrophobicContact CG-CG1 4.17Å; Y1479-V1487 HydrophobicContact CG-CG2 3.89Å; Y1479-Y1490 AromaticContact CD1-CD1 3.98Å; Y1479-Y1490 HydrophobicContact CD1-CD1 3.98Å; Y1479-Y1490 HydrophobicContact CD1-CE1 4.21Å; Y1479-Y1490 AromaticContact CE1-CD1 3.75Å; Y1479-Y1490 HydrophobicContact CE1-CD1 3.75Å; Y1479-Y1490 AromaticContact CE1-CE1 3.93Å; Y1479-Y1490 HydrophobicContact CE1-CE1 3.93Å; Y1479-V1491 HydrophobicContact CE1-CG2 4.07Å; Y1479-V1491 HydrophobicContact CE2-CG2 4.21Å; Y1479-V1491 WeakPolarHBondContact OH-CG2 3.23Å; Y1479-L1497 HydrophobicContact CD1-CD2 3.61Å; Y1479-L1497 HydrophobicContact CD1-CG 4.45Å; Y1479-L1497 HydrophobicContact CD2-CD2 3.73Å; Y1479-L1497 HydrophobicContact CD2-CG 4.45Å; Y1479-L1497 HydrophobicContact CE1-CD2 3.58Å; Y1479-L1497 HydrophobicContact CE1-CG 3.93Å; Y1479-L1497 HydrophobicContact CE2-CD1 4.3Å; Y1479-L1497 HydrophobicContact CE2-CD2 3.71Å; Y1479-L1497 HydrophobicContact CE2-CG 3.93Å; Y1479-L1497 HydrophobicContact CG-CD2 3.66Å; Y1479-L1497 VanDerWaalsContact N-CD2 3.33Å |
| 1480 | R | 83 | Confident | 86.6 | Confident | 201 Ų | 201 | 55 Ų | 55 | 76% | 0.758 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 127.8 | 178.3 | -175 | 179.3 | -178.7 | -180 | 0.1 | 111.1 | L1477 P1478 | L1477-R1480 HydrophobicContact CB-CB 4.48Å; L1477-R1480 WeakPolarHBondContact O-CB 3.38Å; L1477-R1480 PolarHBondContact O-N 2.04Å; P1478-R1480 VanDerWaalsContact C-N 3.28Å; P1478-R1480 PolarHBondContact O-N 3.49Å |
| 1481 | G | 83.7 | Confident | 86.6 | Confident | 79 Ų | 79 | 54 Ų | 54 | 81% | 0.814 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -30.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1479 | Y1479-G1481 PolarHBondContact O-N 2.8Š|
| 1482 | M | 86.4 | Confident | 86.6 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | trans | -80.1 | 147.5 | 178.8 | -62.8 | 174.2 | -175.3 | 0 | 0 | 112.2 | R1443 Y1479 E1486 V1487 Y1490 | R1443-M1482 PolarHBondContact NH2-O 3.17Å; Y1479-M1482 HydrophobicContact CD1-SD 4.27Å; Y1479-M1482 PolarHBondContact O-N 2.92Å; M1482-E1486 WeakPolarHBondContact CA-OE2 3.25Å; M1482-E1486 HydrophobicContact CB-CB 3.96Å; M1482-E1486 HydrophobicContact CG-CB 4.49Å; M1482-V1487 HydrophobicContact CB-CG2 3.75Å; M1482-V1487 HydrophobicContact SD-CG2 4.38Å; M1482-Y1490 HydrophobicContact CE-CD2 3.66Å; M1482-Y1490 HydrophobicContact CE-CE2 3.75Å; M1482-Y1490 HydrophobicContact CE-CG 4.09Å; M1482-Y1490 HydrophobicContact SD-CD2 4.23Å; M1482-Y1490 HydrophobicContact SD-CG 4.12Å | ||
| 1483 | S | 80.2 | Confident | 86.6 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | trans | -68.2 | 171.6 | 166.6 | 100.2 | 0 | 0 | 0 | 0 | 111.9 | E1485 E1486 V1487 | S1483-E1485 VanDerWaalsContact C-N 3.32Å; S1483-E1485 VanDerWaalsContact CB-OE2 3.3Å; S1483-E1485 WeakPolarHBondContact CB-OE2 3.47Å; S1483-E1485 PolarHBondContact OG-N 3.43Å; S1483-E1485 VanDerWaalsContact OG-N 3.13Å; S1483-E1485 PolarHBondContact OG-OE2 2.99Å; S1483-E1486 PolarHBondContact N-OE2 3.13Å; S1483-E1486 PolarHBondContact O-N 3.07Å; S1483-E1486 PolarHBondContact OG-N 2.85Å; S1483-E1486 VanDerWaalsContact OG-N 3.07Å; S1483-V1487 VanDerWaalsContact O-CG2 3.25Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.5Å; S1483-V1487 PolarHBondContact O-N 2.8Å | ||
| 1484 | H | 81.7 | Confident | 86.6 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.375 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 174.6 | -72.4 | 151.4 | 0 | 0 | 0 | 112.3 | I1442 V1487 V1488 | I1442-H1484 HydrophobicContact CD1-CB 3.85Å; I1442-H1484 HydrophobicContact CG2-CB 4.09Å; H1484-V1487 PolarHBondContact O-N 3.03Å; H1484-V1488 VanDerWaalsContact O-CG2 3.31Å; H1484-V1488 WeakPolarHBondContact O-CG2 3.46Å; H1484-V1488 PolarHBondContact O-N 3.33Å |
| 1485 | E | 82.3 | Confident | 86.8 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.6 | -37.2 | 177.8 | -54 | 67.6 | -144.9 | 0 | 0 | 110.9 | S1483 K1489 | S1483-E1485 VanDerWaalsContact C-N 3.32Å; S1483-E1485 VanDerWaalsContact CB-OE2 3.3Å; S1483-E1485 WeakPolarHBondContact CB-OE2 3.47Å; S1483-E1485 PolarHBondContact OG-N 3.43Å; S1483-E1485 VanDerWaalsContact OG-N 3.13Å; S1483-E1485 PolarHBondContact OG-OE2 2.99Å; E1485-K1489 WeakPolarHBondContact O-CG 3.13Å; E1485-K1489 PolarHBondContact O-N 3.47Å |
| 1486 | E | 89.2 | Confident | 87 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 172.3 | -68.9 | 178.4 | 143 | 0 | 0 | 112 | M1482 S1483 V1488 K1489 Y1490 | M1482-E1486 WeakPolarHBondContact CA-OE2 3.25Å; M1482-E1486 HydrophobicContact CB-CB 3.96Å; M1482-E1486 HydrophobicContact CG-CB 4.49Å; S1483-E1486 PolarHBondContact N-OE2 3.13Å; S1483-E1486 PolarHBondContact O-N 3.07Å; S1483-E1486 PolarHBondContact OG-N 2.85Å; S1483-E1486 VanDerWaalsContact OG-N 3.07Å; E1486-V1488 VanDerWaalsContact C-N 3.34Å; E1486-V1488 PolarHBondContact O-N 3.47Å; E1486-K1489 PolarHBondContact O-N 2.87Å; E1486-Y1490 VanDerWaalsContact O-CB 3.31Å; E1486-Y1490 WeakPolarHBondContact O-CB 3.36Å; E1486-Y1490 PolarHBondContact O-N 3.21Å |
| 1487 | V | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | I1442 R1443 Y1479 M1482 S1483 H1484 Y1490 V1491 | I1442-V1487 HydrophobicContact CG2-CG1 4.48Å; R1443-V1487 HydrophobicContact CG-CG1 4.5Å; R1443-V1487 HydrophobicContact CG-CG2 4.5Å; Y1479-V1487 VanDerWaalsContact CB-CG2 3.44Å; Y1479-V1487 HydrophobicContact CD2-CG1 3.86Å; Y1479-V1487 HydrophobicContact CD2-CG2 4.22Å; Y1479-V1487 HydrophobicContact CE2-CG1 4.23Å; Y1479-V1487 HydrophobicContact CG-CG1 4.17Å; Y1479-V1487 HydrophobicContact CG-CG2 3.89Å; M1482-V1487 HydrophobicContact CB-CG2 3.75Å; M1482-V1487 HydrophobicContact SD-CG2 4.38Å; S1483-V1487 VanDerWaalsContact O-CG2 3.25Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.5Å; S1483-V1487 PolarHBondContact O-N 2.8Å; H1484-V1487 PolarHBondContact O-N 3.03Å; V1487-Y1490 PolarHBondContact O-N 3.24Å; V1487-V1491 HydrophobicContact CG1-CG2 4.22Å; V1487-V1491 WeakPolarHBondContact O-CB 3.18Å; V1487-V1491 WeakPolarHBondContact O-CG2 3.34Å; V1487-V1491 PolarHBondContact O-N 3.06Å |
| 1488 | V | 88 | Confident | 87.6 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 173.3 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | I1442 L1450 H1484 E1486 Y1490 L1492 | I1442-V1488 HydrophobicContact CG2-CG2 3.94Å; L1450-V1488 HydrophobicContact CD1-CG2 4.43Å; L1450-V1488 HydrophobicContact CD2-CG2 4.06Å; H1484-V1488 VanDerWaalsContact O-CG2 3.31Å; H1484-V1488 WeakPolarHBondContact O-CG2 3.46Å; H1484-V1488 PolarHBondContact O-N 3.33Å; E1486-V1488 VanDerWaalsContact C-N 3.34Å; E1486-V1488 PolarHBondContact O-N 3.47Å; V1488-Y1490 PolarHBondContact O-N 3.41Å; V1488-L1492 HydrophobicContact CG1-CD1 3.82Å; V1488-L1492 HydrophobicContact CG1-CG 4.31Å; V1488-L1492 VanDerWaalsContact O-CB 3.27Å; V1488-L1492 WeakPolarHBondContact O-CB 3.4Å; V1488-L1492 WeakPolarHBondContact O-CG 3.39Å; V1488-L1492 PolarHBondContact O-N 3.01Å |
| 1489 | K | 88 | Confident | 87.4 | Confident | 158 Ų | 158 | 62.3 Ų | 62.3 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 178.1 | -72.2 | 172.5 | -179.9 | 179.5 | 0 | 112.6 | E1485 E1486 S1493 | E1485-K1489 WeakPolarHBondContact O-CG 3.13Å; E1485-K1489 PolarHBondContact O-N 3.47Å; E1486-K1489 PolarHBondContact O-N 2.87Å; K1489-S1493 WeakPolarHBondContact O-CB 3.15Å; K1489-S1493 PolarHBondContact O-N 3.24Å; K1489-S1493 PolarHBondContact O-OG 2.98Å |
| 1490 | Y | 91.8 | Very high | 87 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 13% | 0.129 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -50.9 | -178.4 | -169.9 | -89.9 | 0 | 0 | 0 | 111.2 | Y1479 M1482 E1486 V1487 V1488 S1493 K1495 N1500 | Y1479-Y1490 AromaticContact CD1-CD1 3.98Å; Y1479-Y1490 HydrophobicContact CD1-CD1 3.98Å; Y1479-Y1490 HydrophobicContact CD1-CE1 4.21Å; Y1479-Y1490 AromaticContact CE1-CD1 3.75Å; Y1479-Y1490 HydrophobicContact CE1-CD1 3.75Å; Y1479-Y1490 AromaticContact CE1-CE1 3.93Å; Y1479-Y1490 HydrophobicContact CE1-CE1 3.93Å; M1482-Y1490 HydrophobicContact CE-CD2 3.66Å; M1482-Y1490 HydrophobicContact CE-CE2 3.75Å; M1482-Y1490 HydrophobicContact CE-CG 4.09Å; M1482-Y1490 HydrophobicContact SD-CD2 4.23Å; M1482-Y1490 HydrophobicContact SD-CG 4.12Å; E1486-Y1490 VanDerWaalsContact O-CB 3.31Å; E1486-Y1490 WeakPolarHBondContact O-CB 3.36Å; E1486-Y1490 PolarHBondContact O-N 3.21Å; V1487-Y1490 PolarHBondContact O-N 3.24Å; V1488-Y1490 PolarHBondContact O-N 3.41Å; Y1490-S1493 PolarHBondContact O-N 3.05Å; Y1490-S1493 PolarHBondContact O-OG 3.47Å; Y1490-K1495 HydrophobicContact CD1-CB 3.63Å; Y1490-K1495 HydrophobicContact CD2-CB 4.36Å; Y1490-K1495 HydrophobicContact CD2-CD 4.05Å; Y1490-K1495 HydrophobicContact CE1-CB 3.32Å; Y1490-K1495 HydrophobicContact CE1-CD 4.48Å; Y1490-K1495 HydrophobicContact CE2-CB 4.1Å; Y1490-K1495 HydrophobicContact CE2-CD 3.69Å; Y1490-K1495 HydrophobicContact CG-CB 4.15Å; Y1490-K1495 PolarHBondContact O-N 3.39Å; Y1490-N1500 PolarHBondContact OH-OD1 3.47Å |
| 1491 | V | 91.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 178 | 172 | 0 | 0 | 0 | 0 | 111.6 | P1447 L1450 W1462 Y1479 V1487 S1493 G1494 | P1447-V1491 HydrophobicContact CB-CG1 4.49Å; P1447-V1491 HydrophobicContact CG-CG1 3.89Å; L1450-V1491 HydrophobicContact CD1-CB 4.03Å; L1450-V1491 HydrophobicContact CD1-CG1 3.84Å; W1462-V1491 HydrophobicContact CH2-CG1 4.15Å; W1462-V1491 HydrophobicContact CZ2-CG1 3.67Å; Y1479-V1491 HydrophobicContact CE1-CG2 4.07Å; Y1479-V1491 HydrophobicContact CE2-CG2 4.21Å; Y1479-V1491 WeakPolarHBondContact OH-CG2 3.23Å; V1487-V1491 HydrophobicContact CG1-CG2 4.22Å; V1487-V1491 WeakPolarHBondContact O-CB 3.18Å; V1487-V1491 WeakPolarHBondContact O-CG2 3.34Å; V1487-V1491 PolarHBondContact O-N 3.06Å; V1491-S1493 PolarHBondContact O-N 3.25Å; V1491-G1494 PolarHBondContact O-N 2.77Å |
| 1492 | L | 89.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 29% | 0.293 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.4 | -14.6 | 178.5 | -62.1 | -171.2 | 0 | 0 | 0 | 113.6 | P1447 L1450 Q1451 V1488 G1494 | P1447-L1492 HydrophobicContact CB-CD2 3.85Å; P1447-L1492 WeakPolarHBondContact O-CD2 3.45Å; L1450-L1492 HydrophobicContact CB-CD2 4.3Å; Q1451-L1492 HydrophobicContact CG-CD1 3.78Å; Q1451-L1492 HydrophobicContact CG-CD2 3.73Å; Q1451-L1492 HydrophobicContact CG-CG 4.41Å; V1488-L1492 HydrophobicContact CG1-CD1 3.82Å; V1488-L1492 HydrophobicContact CG1-CG 4.31Å; V1488-L1492 VanDerWaalsContact O-CB 3.27Å; V1488-L1492 WeakPolarHBondContact O-CB 3.4Å; V1488-L1492 WeakPolarHBondContact O-CG 3.39Å; V1488-L1492 PolarHBondContact O-N 3.01Å; L1492-G1494 PolarHBondContact O-N 3.25Å |
| 1493 | S | 89.6 | Confident | 86.4 | Confident | 69 Ų | 69 | 59 Ų | 59 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.8 | 167.1 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | K1489 Y1490 V1491 K1495 | K1489-S1493 WeakPolarHBondContact O-CB 3.15Å; K1489-S1493 PolarHBondContact O-N 3.24Å; K1489-S1493 PolarHBondContact O-OG 2.98Å; Y1490-S1493 PolarHBondContact O-N 3.05Å; Y1490-S1493 PolarHBondContact O-OG 3.47Å; V1491-S1493 PolarHBondContact O-N 3.25Å; S1493-K1495 VanDerWaalsContact C-N 3.33Å; S1493-K1495 PolarHBondContact O-N 2.62Å |
| 1494 | G | 87.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 5.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1491 L1492 | V1491-G1494 PolarHBondContact O-N 2.77Å; L1492-G1494 PolarHBondContact O-N 3.25Å |
| 1495 | K | 90.6 | Very high | 85.8 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | trans | -90.6 | 142.9 | -176.6 | -58.7 | -179.5 | -175.8 | -176.8 | 0 | 111.6 | Y1490 S1493 S1499 | Y1490-K1495 HydrophobicContact CD1-CB 3.63Å; Y1490-K1495 HydrophobicContact CD2-CB 4.36Å; Y1490-K1495 HydrophobicContact CD2-CD 4.05Å; Y1490-K1495 HydrophobicContact CE1-CB 3.32Å; Y1490-K1495 HydrophobicContact CE1-CD 4.48Å; Y1490-K1495 HydrophobicContact CE2-CB 4.1Å; Y1490-K1495 HydrophobicContact CE2-CD 3.69Å; Y1490-K1495 HydrophobicContact CG-CB 4.15Å; Y1490-K1495 PolarHBondContact O-N 3.39Å; S1493-K1495 VanDerWaalsContact C-N 3.33Å; S1493-K1495 PolarHBondContact O-N 2.62Å; K1495-S1499 WeakPolarHBondContact CA-OG 3.46Å | ||
| 1496 | T | 90.7 | Very high | 85.7 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.08 | 35% | 0.352 | C | S | . | . | trans | -120.4 | 176.7 | -176.3 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | W1462 L1498 S1499 W1518 | W1462-T1496 HydrophobicContact CH2-CG2 4.27Å; T1496-L1498 PolarHBondContact O-N 3.43Å; T1496-L1498 VanDerWaalsContact O-N 3.1Å; T1496-L1498 PolarHBondContact OG1-N 3.15Å; T1496-S1499 PolarHBondContact N-OG 3.39Å; T1496-S1499 WeakPolarHBondContact O-CB 3.33Å; T1496-S1499 PolarHBondContact O-N 2.85Å; T1496-W1518 HydrophobicContact CG2-CB 3.78Å; T1496-W1518 HydrophobicContact CG2-CE3 4.4Å; T1496-W1518 HydrophobicContact CG2-CG 4.33Å | ||
| 1497 | L | 90.6 | Very high | 85.4 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11 | 175 | -65 | 166.5 | 0 | 0 | 0 | 114 | V1466 W1469 P1478 Y1479 W1518 | V1466-L1497 HydrophobicContact CG1-CD1 4.04Å; V1466-L1497 HydrophobicContact CG2-CD1 4.3Å; W1469-L1497 HydrophobicContact CB-CD1 4.13Å; W1469-L1497 HydrophobicContact CD2-CB 4.22Å; W1469-L1497 HydrophobicContact CD2-CD1 3.69Å; W1469-L1497 HydrophobicContact CD2-CG 4.39Å; W1469-L1497 HydrophobicContact CE3-CD1 3.95Å; W1469-L1497 HydrophobicContact CG-CB 4.12Å; W1469-L1497 HydrophobicContact CG-CD1 3.78Å; W1469-L1497 HydrophobicContact CZ2-CD2 4.31Å; P1478-L1497 HydrophobicContact CB-CD1 4Å; P1478-L1497 HydrophobicContact CB-CD2 4.19Å; Y1479-L1497 HydrophobicContact CD1-CD2 3.61Å; Y1479-L1497 HydrophobicContact CD1-CG 4.45Å; Y1479-L1497 HydrophobicContact CD2-CD2 3.73Å; Y1479-L1497 HydrophobicContact CD2-CG 4.45Å; Y1479-L1497 HydrophobicContact CE1-CD2 3.58Å; Y1479-L1497 HydrophobicContact CE1-CG 3.93Å; Y1479-L1497 HydrophobicContact CE2-CD1 4.3Å; Y1479-L1497 HydrophobicContact CE2-CD2 3.71Å; Y1479-L1497 HydrophobicContact CE2-CG 3.93Å; Y1479-L1497 HydrophobicContact CG-CD2 3.66Å; Y1479-L1497 VanDerWaalsContact N-CD2 3.33Å; L1497-W1518 HydrophobicContact CB-CH2 3.74Å; L1497-W1518 HydrophobicContact CB-CZ2 4.31Å; L1497-W1518 HydrophobicContact CB-CZ3 4.25Å; L1497-W1518 HydrophobicContact CD1-CH2 3.96Å; L1497-W1518 HydrophobicContact CD1-CZ2 3.79Å; L1497-W1518 HydrophobicContact CG-CH2 4.29Å; L1497-W1518 HydrophobicContact CG-CZ2 4.38Å |
| 1498 | L | 90 | Very high | 85.1 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.6 | 174.3 | -65.8 | 169.1 | 0 | 0 | 0 | 113.4 | T1496 N1500 G1501 M1514 L1515 W1518 | T1496-L1498 PolarHBondContact O-N 3.43Å; T1496-L1498 VanDerWaalsContact O-N 3.1Å; T1496-L1498 PolarHBondContact OG1-N 3.15Å; L1498-N1500 PolarHBondContact O-N 2.81Å; L1498-G1501 WeakPolarHBondContact CA-O 3.15Å; L1498-G1501 PolarHBondContact O-N 2.85Å; L1498-M1514 HydrophobicContact CD1-CB 4.03Å; L1498-M1514 HydrophobicContact CD1-CE 4.41Å; L1498-L1515 HydrophobicContact CD1-CD2 3.93Å; L1498-L1515 HydrophobicContact CD1-CG 3.95Å; L1498-W1518 HydrophobicContact CD1-CE3 4.28Å; L1498-W1518 HydrophobicContact CD1-CZ3 3.72Å; L1498-W1518 HydrophobicContact CG-CZ3 3.77Å |
| 1499 | S | 84.7 | Confident | 85 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17 | -179.4 | -67.1 | 0 | 0 | 0 | 0 | 114 | K1495 T1496 | K1495-S1499 WeakPolarHBondContact CA-OG 3.46Å; T1496-S1499 PolarHBondContact N-OG 3.39Å; T1496-S1499 WeakPolarHBondContact O-CB 3.33Å; T1496-S1499 PolarHBondContact O-N 2.85Å |
| 1500 | N | 80.4 | Confident | 85 | Confident | 138 Ų | 138 | 51.3 Ų | 51.3 | 74% | 0.738 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 17.4 | 172.3 | -69.6 | 16.1 | 0 | 0 | 0 | 112.4 | Y1490 L1498 | Y1490-N1500 PolarHBondContact OH-OD1 3.47Å; L1498-N1500 PolarHBondContact O-N 2.81Å |
| 1501 | G | 79.8 | Confident | 84.8 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | trans | 109.3 | 165.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1498 | L1498-G1501 WeakPolarHBondContact CA-O 3.15Å; L1498-G1501 PolarHBondContact O-N 2.85Å | ||
| 1502 | S | 79.7 | Confident | 84.6 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 145.9 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1503 | P | 79.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 142.7 | 170.4 | -25.5 | 34.7 | 0 | 0 | 0 | 112.2 | V1472 T1473 C1506 | V1472-P1503 HydrophobicContact CG2-CB 4.17Å; V1472-P1503 HydrophobicContact CG2-CG 4.01Å; T1473-P1503 HydrophobicContact CG2-CB 3.91Å; T1473-P1503 HydrophobicContact CG2-CG 3.72Å; P1503-C1506 HydrophobicContact CB-CB 4.32Å; P1503-C1506 VanDerWaalsContact O-CB 3.25Å; P1503-C1506 WeakPolarHBondContact O-CB 3.22Å; P1503-C1506 PolarHBondContact O-N 2.96Å |
| 1504 | T | 76.1 | Confident | 84.8 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 138.9 | 172 | 40.4 | 0 | 0 | 0 | 0 | 110.5 | C1506 | T1504-C1506 PolarHBondContact O-N 3Š|
| 1505 | N | 73.2 | Confident | 84.9 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 17.1 | -176.7 | -51.2 | -29.8 | 0 | 0 | 0 | 115.6 | P1507 | N1505-P1507 WeakPolarHBondContact O-CD 3.42Š|
| 1506 | C | 80.7 | Confident | 84.9 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | trans | -62.4 | 123.2 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | P1503 T1504 M1514 | P1503-C1506 HydrophobicContact CB-CB 4.32Å; P1503-C1506 VanDerWaalsContact O-CB 3.25Å; P1503-C1506 WeakPolarHBondContact O-CB 3.22Å; P1503-C1506 PolarHBondContact O-N 2.96Å; T1504-C1506 PolarHBondContact O-N 3Å; C1506-M1514 WeakPolarHBondContact SG-CE 3.43Å | ||
| 1507 | P | 83.6 | Confident | 85 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | trans | -65.5 | 143.6 | 175.5 | -20.2 | 32.9 | 0 | 0 | 0 | 111.8 | Y1391 N1505 L1509 F1510 R1511 | Y1391-P1507 HydrophobicContact CE1-CB 4.17Å; Y1391-P1507 VanDerWaalsContact OH-CB 3.31Å; Y1391-P1507 WeakPolarHBondContact OH-CB 3.39Å; N1505-P1507 WeakPolarHBondContact O-CD 3.42Å; P1507-L1509 VanDerWaalsContact C-N 3.33Å; P1507-L1509 PolarHBondContact O-N 2.96Å; P1507-F1510 WeakPolarHBondContact O-CA 3.18Å; P1507-F1510 WeakPolarHBondContact O-CB 3.28Å; P1507-F1510 PolarHBondContact O-N 3.01Å; P1507-R1511 PolarHBondContact O-N 3.11Å | ||
| 1508 | E | 81.8 | Confident | 85.1 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | -172.2 | -170.7 | 65.8 | 173.6 | 0 | 0 | 113.1 | F1510 R1511 A1512 A1586 | E1508-F1510 VanDerWaalsContact C-N 3.31Å; E1508-F1510 PolarHBondContact O-N 3.47Å; E1508-R1511 VanDerWaalsContact CD-NE 3.28Å; E1508-R1511 WeakPolarHBondContact O-CB 3.36Å; E1508-R1511 PolarHBondContact O-N 3.04Å; E1508-R1511 IonicContact OE1-CZ 2.65Å; E1508-R1511 VanDerWaalsContact OE1-CZ 3.31Å; E1508-R1511 IonicContact OE1-NE 3.89Å; E1508-R1511 PolarHBondContact OE1-NE 3.26Å; E1508-R1511 VanDerWaalsContact OE1-NE 3.16Å; E1508-R1511 IonicContact OE1-NH2 2.66Å; E1508-R1511 PolarHBondContact OE1-NH2 3.39Å; E1508-R1511 WeakPolarHBondContact OE2-CD 3.37Å; E1508-R1511 IonicContact OE2-CZ 3.34Å; E1508-R1511 IonicContact OE2-NE 2.69Å; E1508-R1511 PolarHBondContact OE2-NE 3.22Å; E1508-R1511 IonicContact OE2-NH2 3.08Å; E1508-A1512 PolarHBondContact O-N 2.96Å; E1508-A1586 HydrophobicContact CG-CB 4.18Å |
| 1509 | L | 84.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 170.8 | 177 | 57 | 0 | 0 | 0 | 111.8 | Y1391 P1507 L1513 L1535 C1538 L1589 | Y1391-L1509 HydrophobicContact CD1-CD2 4.29Å; Y1391-L1509 HydrophobicContact CE1-CB 4.22Å; Y1391-L1509 HydrophobicContact CE1-CD2 3.92Å; Y1391-L1509 HydrophobicContact CE1-CG 4.32Å; Y1391-L1509 HydrophobicContact CE2-CD2 4.41Å; P1507-L1509 VanDerWaalsContact C-N 3.33Å; P1507-L1509 PolarHBondContact O-N 2.96Å; L1509-L1513 HydrophobicContact CD1-CD1 3.88Å; L1509-L1513 HydrophobicContact CD1-CG 4.07Å; L1509-L1513 HydrophobicContact CG-CD1 3.95Å; L1509-L1513 WeakPolarHBondContact O-CB 3.39Å; L1509-L1513 WeakPolarHBondContact O-CG 3.46Å; L1509-L1513 PolarHBondContact O-N 3.33Å; L1509-L1535 HydrophobicContact CD2-CD2 4.05Å; L1509-L1535 HydrophobicContact CG-CD2 4.43Å; L1509-C1538 HydrophobicContact CD2-CB 4.25Å; L1509-C1538 VanDerWaalsContact CD2-SG 3.5Å; L1509-L1589 HydrophobicContact CD1-CD1 3.6Å; L1509-L1589 HydrophobicContact CD1-CD2 3.71Å; L1509-L1589 HydrophobicContact CD1-CG 4.27Å |
| 1510 | F | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.5 | -35.6 | 176 | -89.9 | 13.1 | 0 | 0 | 0 | 112.4 | A1390 Y1391 A1394 L1468 I1471 V1472 P1507 E1508 A1512 L1513 M1514 L1535 | A1390-F1510 HydrophobicContact CB-CE2 3.88Å; A1390-F1510 HydrophobicContact CB-CZ 4.08Å; Y1391-F1510 AromaticContact CD1-CD1 3.9Å; Y1391-F1510 HydrophobicContact CD1-CD1 3.9Å; Y1391-F1510 AromaticContact CD1-CE1 3.5Å; Y1391-F1510 HydrophobicContact CD1-CE1 3.5Å; Y1391-F1510 VanDerWaalsContact CD1-CE1 3.5Å; Y1391-F1510 AromaticContact CD1-CZ 3.96Å; Y1391-F1510 HydrophobicContact CD1-CZ 3.96Å; Y1391-F1510 AromaticContact CE1-CD1 3.82Å; Y1391-F1510 HydrophobicContact CE1-CD1 3.82Å; Y1391-F1510 AromaticContact CE1-CE1 3.93Å; Y1391-F1510 HydrophobicContact CE1-CE1 3.93Å; Y1391-F1510 HydrophobicContact CE1-CG 4.34Å; Y1391-F1510 HydrophobicContact CE1-CZ 4.49Å; A1394-F1510 HydrophobicContact CB-CE1 3.74Å; A1394-F1510 HydrophobicContact CB-CZ 3.6Å; L1468-F1510 HydrophobicContact CD2-CD1 4.43Å; L1468-F1510 HydrophobicContact CD2-CE1 3.92Å; L1468-F1510 HydrophobicContact CD2-CE2 4.23Å; L1468-F1510 HydrophobicContact CD2-CZ 3.83Å; I1471-F1510 HydrophobicContact CG2-CE2 4.06Å; V1472-F1510 HydrophobicContact CG1-CD2 3.61Å; V1472-F1510 HydrophobicContact CG1-CE2 4.25Å; P1507-F1510 WeakPolarHBondContact O-CA 3.18Å; P1507-F1510 WeakPolarHBondContact O-CB 3.28Å; P1507-F1510 PolarHBondContact O-N 3.01Å; E1508-F1510 VanDerWaalsContact C-N 3.31Å; E1508-F1510 PolarHBondContact O-N 3.47Å; F1510-A1512 VanDerWaalsContact C-N 3.35Å; F1510-L1513 HydrophobicContact CD1-CD1 4.36Å; F1510-L1513 PolarHBondContact O-N 2.87Å; F1510-M1514 HydrophobicContact CB-CE 4.43Å; F1510-M1514 VanDerWaalsContact O-CB 3.29Å; F1510-M1514 WeakPolarHBondContact O-CB 3.36Å; F1510-M1514 WeakPolarHBondContact O-CE 3.2Å; F1510-M1514 VanDerWaalsContact O-CG 3.31Å; F1510-M1514 WeakPolarHBondContact O-CG 3.03Å; F1510-M1514 PolarHBondContact O-N 3.14Å; F1510-L1535 HydrophobicContact CD1-CD2 4.49Å; F1510-L1535 HydrophobicContact CE1-CD2 3.99Å |
| 1511 | R | 87.4 | Confident | 85.7 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 172.6 | -168 | -171.3 | 67.4 | 74.6 | -1.7 | 110.9 | P1507 E1508 L1515 | P1507-R1511 PolarHBondContact O-N 3.11Å; E1508-R1511 VanDerWaalsContact CD-NE 3.28Å; E1508-R1511 WeakPolarHBondContact O-CB 3.36Å; E1508-R1511 PolarHBondContact O-N 3.04Å; E1508-R1511 IonicContact OE1-CZ 2.65Å; E1508-R1511 VanDerWaalsContact OE1-CZ 3.31Å; E1508-R1511 IonicContact OE1-NE 3.89Å; E1508-R1511 PolarHBondContact OE1-NE 3.26Å; E1508-R1511 VanDerWaalsContact OE1-NE 3.16Å; E1508-R1511 IonicContact OE1-NH2 2.66Å; E1508-R1511 PolarHBondContact OE1-NH2 3.39Å; E1508-R1511 WeakPolarHBondContact OE2-CD 3.37Å; E1508-R1511 IonicContact OE2-CZ 3.34Å; E1508-R1511 IonicContact OE2-NE 2.69Å; E1508-R1511 PolarHBondContact OE2-NE 3.22Å; E1508-R1511 IonicContact OE2-NH2 3.08Å; R1511-L1515 WeakPolarHBondContact O-CG 3.16Å; R1511-L1515 PolarHBondContact O-N 2.78Å |
| 1512 | A | 86.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -53.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1508 F1510 M1514 L1515 H1516 L1589 | E1508-A1512 PolarHBondContact O-N 2.96Å; F1510-A1512 VanDerWaalsContact C-N 3.35Å; A1512-M1514 VanDerWaalsContact C-N 3.31Å; A1512-M1514 PolarHBondContact O-N 3.16Å; A1512-L1515 PolarHBondContact O-N 3.19Å; A1512-H1516 PolarHBondContact O-CD2 3.14Å; A1512-H1516 PolarHBondContact O-N 2.75Å; A1512-L1589 HydrophobicContact CB-CD2 3.69Å |
| 1513 | L | 90.4 | Very high | 86 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -179 | -70.7 | 173 | 0 | 0 | 0 | 112.6 | L1468 L1509 F1510 H1516 C1517 L1531 L1534 L1535 | L1468-L1513 HydrophobicContact CD1-CB 3.98Å; L1509-L1513 HydrophobicContact CD1-CD1 3.88Å; L1509-L1513 HydrophobicContact CD1-CG 4.07Å; L1509-L1513 HydrophobicContact CG-CD1 3.95Å; L1509-L1513 WeakPolarHBondContact O-CB 3.39Å; L1509-L1513 WeakPolarHBondContact O-CG 3.46Å; L1509-L1513 PolarHBondContact O-N 3.33Å; F1510-L1513 HydrophobicContact CD1-CD1 4.36Å; F1510-L1513 PolarHBondContact O-N 2.87Å; L1513-H1516 PolarHBondContact O-N 2.81Å; L1513-C1517 WeakPolarHBondContact O-CB 3.34Å; L1513-C1517 PolarHBondContact O-N 3.32Å; L1513-C1517 PolarHBondContact O-SG 3.05Å; L1513-L1531 HydrophobicContact CD2-CD2 3.82Å; L1513-L1534 HydrophobicContact CD2-CB 4.35Å; L1513-L1534 HydrophobicContact CD2-CD1 3.85Å; L1513-L1535 HydrophobicContact CD1-CD1 4.23Å; L1513-L1535 HydrophobicContact CD1-CD2 3.55Å; L1513-L1535 HydrophobicContact CD1-CG 3.82Å |
| 1514 | M | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 173.6 | -80.2 | -173.1 | -72.2 | 0 | 0 | 112.3 | L1468 W1469 V1472 L1498 C1506 F1510 A1512 H1516 C1517 W1518 | L1468-M1514 HydrophobicContact CB-CG 3.75Å; L1468-M1514 HydrophobicContact CB-SD 4.26Å; L1468-M1514 HydrophobicContact CD1-CG 4.17Å; W1469-M1514 HydrophobicContact CB-SD 3.67Å; W1469-M1514 HydrophobicContact CG-SD 4.29Å; V1472-M1514 HydrophobicContact CG2-CE 4.47Å; L1498-M1514 HydrophobicContact CD1-CB 4.03Å; L1498-M1514 HydrophobicContact CD1-CE 4.41Å; C1506-M1514 WeakPolarHBondContact SG-CE 3.43Å; F1510-M1514 HydrophobicContact CB-CE 4.43Å; F1510-M1514 VanDerWaalsContact O-CB 3.29Å; F1510-M1514 WeakPolarHBondContact O-CB 3.36Å; F1510-M1514 WeakPolarHBondContact O-CE 3.2Å; F1510-M1514 VanDerWaalsContact O-CG 3.31Å; F1510-M1514 WeakPolarHBondContact O-CG 3.03Å; F1510-M1514 PolarHBondContact O-N 3.14Å; A1512-M1514 VanDerWaalsContact C-N 3.31Å; A1512-M1514 PolarHBondContact O-N 3.16Å; M1514-H1516 PolarHBondContact O-N 2.98Å; M1514-C1517 PolarHBondContact O-N 3.29Å; M1514-W1518 HydrophobicContact CB-CE3 4Å; M1514-W1518 HydrophobicContact CB-CH2 4.19Å; M1514-W1518 HydrophobicContact CB-CZ3 3.69Å; M1514-W1518 HydrophobicContact CG-CH2 4.14Å; M1514-W1518 HydrophobicContact CG-CZ3 4.16Å; M1514-W1518 WeakPolarHBondContact O-CB 3.15Å; M1514-W1518 PolarHBondContact O-N 2.95Å; M1514-W1518 HydrophobicContact SD-CH2 3.8Å; M1514-W1518 HydrophobicContact SD-CZ3 4.06Å |
| 1515 | L | 90 | Very high | 86.9 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.5 | -70.7 | 169.2 | 0 | 0 | 0 | 112.6 | L1498 R1511 A1512 W1518 N1519 | L1498-L1515 HydrophobicContact CD1-CD2 3.93Å; L1498-L1515 HydrophobicContact CD1-CG 3.95Å; R1511-L1515 WeakPolarHBondContact O-CG 3.16Å; R1511-L1515 PolarHBondContact O-N 2.78Å; A1512-L1515 PolarHBondContact O-N 3.19Å; L1515-W1518 CarbonylContact O-C 3.33Å; L1515-W1518 PolarHBondContact O-N 3.29Å; L1515-N1519 PolarHBondContact O-N 2.84Å |
| 1516 | H | 89.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.4 | -38.9 | 173.7 | -73.6 | -72.9 | 0 | 0 | 0 | 112.3 | A1512 L1513 M1514 W1518 N1519 R1525 P1526 L1593 | A1512-H1516 PolarHBondContact O-CD2 3.14Å; A1512-H1516 PolarHBondContact O-N 2.75Å; L1513-H1516 PolarHBondContact O-N 2.81Å; M1514-H1516 PolarHBondContact O-N 2.98Å; H1516-W1518 VanDerWaalsContact C-N 3.29Å; H1516-W1518 PolarHBondContact O-N 3.31Å; H1516-N1519 PolarHBondContact O-N 3.31Å; H1516-R1525 WeakPolarHBondContact O-CA 3.44Å; H1516-P1526 HydrophobicContact CB-CG 4.31Å; H1516-P1526 WeakPolarHBondContact O-CD 3.49Å; H1516-L1593 WeakPolarHBondContact NE2-CD1 3.45Å |
| 1517 | C | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -31.5 | 174.1 | -68.8 | 0 | 0 | 0 | 0 | 112.8 | V1461 W1462 L1513 M1514 R1525 | V1461-C1517 HydrophobicContact CG1-CB 4.09Å; V1461-C1517 WeakPolarHBondContact O-CB 3.33Å; W1462-C1517 WeakPolarHBondContact CA-O 3.46Å; L1513-C1517 WeakPolarHBondContact O-CB 3.34Å; L1513-C1517 PolarHBondContact O-N 3.32Å; L1513-C1517 PolarHBondContact O-SG 3.05Å; M1514-C1517 PolarHBondContact O-N 3.29Å; C1517-R1525 VanDerWaalsContact O-CD 3.25Å; C1517-R1525 WeakPolarHBondContact O-CD 3.38Å |
| 1518 | W | 93.8 | Very high | 87.7 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 24.5 | 176.4 | -59.8 | -37.5 | 0 | 0 | 0 | 114.5 | W1462 G1465 V1466 W1469 T1496 L1497 L1498 M1514 L1515 H1516 F1520 | W1462-W1518 AromaticContact CD2-CD1 3.46Å; W1462-W1518 VanDerWaalsContact CD2-CD1 3.46Å; W1462-W1518 HydrophobicContact CD2-CG 4.32Å; W1462-W1518 AromaticContact CE2-CD1 3.64Å; W1462-W1518 HydrophobicContact CE3-CB 4.02Å; W1462-W1518 AromaticContact CE3-CD1 3.78Å; W1462-W1518 HydrophobicContact CE3-CG 4.27Å; W1462-W1518 AromaticContact CG-CD1 3.77Å; W1462-W1518 HydrophobicContact CH2-CB 4.14Å; W1462-W1518 HydrophobicContact CH2-CG 4.43Å; W1462-W1518 HydrophobicContact CZ2-CG 4.49Å; W1462-W1518 HydrophobicContact CZ3-CB 3.8Å; W1462-W1518 HydrophobicContact CZ3-CG 4.33Å; W1462-W1518 WeakPolarHBondContact CZ3-O 3.39Å; W1462-W1518 PolarHBondContact O-NE1 3.46Å; W1462-W1518 VanDerWaalsContact O-NE1 3.12Å; G1465-W1518 WeakPolarHBondContact O-CZ2 3.41Å; V1466-W1518 HydrophobicContact CB-CZ2 4.48Å; V1466-W1518 HydrophobicContact CG2-CZ2 3.98Å; W1469-W1518 HydrophobicContact CB-CH2 3.84Å; W1469-W1518 HydrophobicContact CB-CZ2 4.19Å; W1469-W1518 AromaticContact CD1-CH2 4Å; W1469-W1518 HydrophobicContact CG-CH2 4.13Å; T1496-W1518 HydrophobicContact CG2-CB 3.78Å; T1496-W1518 HydrophobicContact CG2-CE3 4.4Å; T1496-W1518 HydrophobicContact CG2-CG 4.33Å; L1497-W1518 HydrophobicContact CB-CH2 3.74Å; L1497-W1518 HydrophobicContact CB-CZ2 4.31Å; L1497-W1518 HydrophobicContact CB-CZ3 4.25Å; L1497-W1518 HydrophobicContact CD1-CH2 3.96Å; L1497-W1518 HydrophobicContact CD1-CZ2 3.79Å; L1497-W1518 HydrophobicContact CG-CH2 4.29Å; L1497-W1518 HydrophobicContact CG-CZ2 4.38Å; L1498-W1518 HydrophobicContact CD1-CE3 4.28Å; L1498-W1518 HydrophobicContact CD1-CZ3 3.72Å; L1498-W1518 HydrophobicContact CG-CZ3 3.77Å; M1514-W1518 HydrophobicContact CB-CE3 4Å; M1514-W1518 HydrophobicContact CB-CH2 4.19Å; M1514-W1518 HydrophobicContact CB-CZ3 3.69Å; M1514-W1518 HydrophobicContact CG-CH2 4.14Å; M1514-W1518 HydrophobicContact CG-CZ3 4.16Å; M1514-W1518 WeakPolarHBondContact O-CB 3.15Å; M1514-W1518 PolarHBondContact O-N 2.95Å; M1514-W1518 HydrophobicContact SD-CH2 3.8Å; M1514-W1518 HydrophobicContact SD-CZ3 4.06Å; L1515-W1518 CarbonylContact O-C 3.33Å; L1515-W1518 PolarHBondContact O-N 3.29Å; H1516-W1518 VanDerWaalsContact C-N 3.29Å; H1516-W1518 PolarHBondContact O-N 3.31Å; W1518-F1520 PolarHBondContact O-N 3.42Å |
| 1519 | N | 91.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | trans | -59.4 | 127.2 | 166.9 | -160.5 | -61.1 | 0 | 0 | 0 | 109.1 | L1515 H1516 N1521 K1524 R1525 | L1515-N1519 PolarHBondContact O-N 2.84Å; H1516-N1519 PolarHBondContact O-N 3.31Å; N1519-N1521 PolarHBondContact O-N 2.6Å; N1519-N1521 PolarHBondContact OD1-N 3.06Å; N1519-N1521 VanDerWaalsContact OD1-N 3.15Å; N1519-K1524 HydrophobicContact CB-CB 4.1Å; N1519-K1524 VanDerWaalsContact CG-CB 3.45Å; N1519-R1525 HydrophobicContact CB-CG 4.01Å; N1519-R1525 PolarHBondContact O-NE 2.84Å; N1519-R1525 PolarHBondContact O-NH2 2.88Å | ||
| 1520 | F | 89.1 | Confident | 87.5 | Confident | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -62 | -32.3 | -175.7 | -160.8 | -93.9 | 0 | 0 | 0 | 111.5 | P1447 W1518 P1522 R1525 | P1447-F1520 HydrophobicContact CB-CD2 4.22Å; P1447-F1520 HydrophobicContact CB-CE2 3.66Å; P1447-F1520 HydrophobicContact CB-CZ 3.84Å; P1447-F1520 HydrophobicContact CG-CD2 3.77Å; P1447-F1520 HydrophobicContact CG-CE2 3.63Å; P1447-F1520 HydrophobicContact CG-CZ 4.3Å; W1518-F1520 PolarHBondContact O-N 3.42Å; F1520-P1522 WeakPolarHBondContact O-CD 3.29Å; F1520-R1525 PolarHBondContact O-NH2 3.14Å |
| 1521 | N | 86 | Confident | 87.4 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -79.8 | 117.5 | 169.8 | -177.8 | -14.4 | 0 | 0 | 0 | 110.4 | N1519 L1523 K1524 | N1519-N1521 PolarHBondContact O-N 2.6Å; N1519-N1521 PolarHBondContact OD1-N 3.06Å; N1519-N1521 VanDerWaalsContact OD1-N 3.15Å; N1521-L1523 PolarHBondContact O-N 2.77Å; N1521-L1523 VanDerWaalsContact O-N 3.16Å; N1521-L1523 WeakPolarHBondContact OD1-CB 3.47Å; N1521-L1523 PolarHBondContact OD1-N 2.84Å; N1521-K1524 HydrophobicContact CB-CB 4.47Å; N1521-K1524 HydrophobicContact CB-CG 4.42Å; N1521-K1524 PolarHBondContact O-N 3.07Å |
| 1522 | P | 84.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 14% | 0.143 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -57.6 | -29.6 | 179.1 | -23.6 | 33.7 | 0 | 0 | 0 | 114.5 | E1448 Q1458 F1520 K1524 R1525 | E1448-P1522 HydrophobicContact CG-CG 4.31Å; Q1458-P1522 HydrophobicContact CB-CB 3.81Å; Q1458-P1522 HydrophobicContact CG-CB 4.42Å; Q1458-P1522 PolarHBondContact NE2-O 3.48Å; F1520-P1522 WeakPolarHBondContact O-CD 3.29Å; P1522-K1524 VanDerWaalsContact C-N 3.27Å; P1522-K1524 PolarHBondContact O-N 2.8Å; P1522-R1525 PolarHBondContact O-N 3.21Å |
| 1523 | L | 81.2 | Confident | 86.8 | Confident | 129 Ų | 129 | 38.5 Ų | 38.5 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -71.7 | -20.2 | 179.8 | -60.3 | 175.1 | 0 | 0 | 0 | 113.1 | N1521 | N1521-L1523 PolarHBondContact O-N 2.77Å; N1521-L1523 VanDerWaalsContact O-N 3.16Å; N1521-L1523 WeakPolarHBondContact OD1-CB 3.47Å; N1521-L1523 PolarHBondContact OD1-N 2.84Å |
| 1524 | K | 85.4 | Confident | 86.4 | Confident | 143 Ų | 143 | 38.6 Ų | 38.6 | 62% | 0.622 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -94.9 | 7.2 | 177.1 | -67.6 | -168.8 | 175.4 | -170.4 | 0 | 113.2 | N1519 N1521 P1522 | N1519-K1524 HydrophobicContact CB-CB 4.1Å; N1519-K1524 VanDerWaalsContact CG-CB 3.45Å; N1521-K1524 HydrophobicContact CB-CB 4.47Å; N1521-K1524 HydrophobicContact CB-CG 4.42Å; N1521-K1524 PolarHBondContact O-N 3.07Å; P1522-K1524 VanDerWaalsContact C-N 3.27Å; P1522-K1524 PolarHBondContact O-N 2.8Å |
| 1525 | R | 90.6 | Very high | 86 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -90.4 | 141.8 | 173.8 | -56.7 | 176.6 | -166.9 | 152.9 | 11.8 | 110 | E1448 Q1458 V1461 H1516 C1517 N1519 F1520 P1522 | E1448-R1525 IonicContact OE1-CZ 2.66Å; E1448-R1525 IonicContact OE1-NH1 3.7Å; E1448-R1525 PolarHBondContact OE1-NH1 3.49Å; E1448-R1525 IonicContact OE1-NH2 2.77Å; E1448-R1525 IonicContact OE2-CZ 3.31Å; E1448-R1525 IonicContact OE2-NH1 3.16Å; E1448-R1525 PolarHBondContact OE2-NH1 2.95Å; E1448-R1525 IonicContact OE2-NH2 3.8Å; E1448-R1525 PolarHBondContact OE2-NH2 2.98Å; Q1458-R1525 PolarHBondContact NE2-O 3.14Å; Q1458-R1525 WeakPolarHBondContact O-CD 3.2Å; Q1458-R1525 PolarHBondContact O-NH1 2.83Å; V1461-R1525 HydrophobicContact CG1-CB 3.88Å; H1516-R1525 WeakPolarHBondContact O-CA 3.44Å; C1517-R1525 VanDerWaalsContact O-CD 3.25Å; C1517-R1525 WeakPolarHBondContact O-CD 3.38Å; N1519-R1525 HydrophobicContact CB-CG 4.01Å; N1519-R1525 PolarHBondContact O-NE 2.84Å; N1519-R1525 PolarHBondContact O-NH2 2.88Å; F1520-R1525 PolarHBondContact O-NH2 3.14Å; P1522-R1525 PolarHBondContact O-N 3.21Å |
| 1526 | P | 88.2 | Confident | 85.2 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 146.1 | -175.8 | 29.5 | -35.8 | 0 | 0 | 0 | 111.8 | V1461 H1516 L1531 F1597 | V1461-P1526 HydrophobicContact CG1-CG 4.25Å; V1461-P1526 WeakPolarHBondContact CG1-O 2.9Å; V1461-P1526 VanDerWaalsContact CG2-O 3.25Å; V1461-P1526 WeakPolarHBondContact CG2-O 3.43Å; H1516-P1526 HydrophobicContact CB-CG 4.31Å; H1516-P1526 WeakPolarHBondContact O-CD 3.49Å; P1526-L1531 HydrophobicContact CB-CD2 4.13Å; P1526-L1531 HydrophobicContact CB-CG 4.12Å; P1526-L1531 HydrophobicContact CG-CD1 4.33Å; P1526-L1531 HydrophobicContact CG-CD2 3.6Å; P1526-L1531 HydrophobicContact CG-CG 3.91Å; P1526-F1597 HydrophobicContact CB-CE1 3.93Å; P1526-F1597 HydrophobicContact CB-CE2 4.1Å; P1526-F1597 HydrophobicContact CB-CZ 3.43Å; P1526-F1597 VanDerWaalsContact CB-CZ 3.43Å |
| 1527 | T | 82.7 | Confident | 84.3 | Confident | 59 Ų | 59 | 35 Ų | 35 | 36% | 0.362 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 157.6 | 170.9 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | L1529 G1530 L1531 | T1527-L1529 VanDerWaalsContact C-N 3.27Å; T1527-L1529 PolarHBondContact O-N 2.81Å; T1527-G1530 CarbonylContact O-C 3.59Å; T1527-G1530 WeakPolarHBondContact O-CA 3.16Å; T1527-G1530 PolarHBondContact O-N 3.02Å; T1527-G1530 PolarHBondContact OG1-N 2.87Å; T1527-G1530 VanDerWaalsContact OG1-N 3.13Å; T1527-L1531 WeakPolarHBondContact O-CG 3.23Å; T1527-L1531 PolarHBondContact O-N 2.89Å |
| 1528 | F | 83.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -29.1 | 177.5 | -73 | -68.2 | 0 | 0 | 0 | 114 | M1401 A1402 T1457 D1460 V1461 Y1464 L1531 C1532 | M1401-F1528 HydrophobicContact CB-CB 4.11Å; M1401-F1528 HydrophobicContact CB-CD1 3.44Å; M1401-F1528 VanDerWaalsContact CB-CD1 3.44Å; M1401-F1528 HydrophobicContact CB-CD2 3.37Å; M1401-F1528 HydrophobicContact CB-CE1 3.51Å; M1401-F1528 HydrophobicContact CB-CE2 3.43Å; M1401-F1528 VanDerWaalsContact CB-CE2 3.43Å; M1401-F1528 HydrophobicContact CB-CG 3.36Å; M1401-F1528 HydrophobicContact CB-CZ 3.49Å; M1401-F1528 VanDerWaalsContact CB-CZ 3.49Å; M1401-F1528 HydrophobicContact CE-CE2 4.16Å; M1401-F1528 HydrophobicContact CE-CZ 4.21Å; M1401-F1528 HydrophobicContact CG-CD1 4.26Å; M1401-F1528 HydrophobicContact CG-CD2 4.45Å; M1401-F1528 HydrophobicContact CG-CE1 3.85Å; M1401-F1528 HydrophobicContact CG-CE2 4.06Å; M1401-F1528 HydrophobicContact CG-CZ 3.72Å; A1402-F1528 HydrophobicContact CB-CB 4.02Å; T1457-F1528 HydrophobicContact CG2-CD2 3.82Å; T1457-F1528 HydrophobicContact CG2-CE2 3.99Å; D1460-F1528 HydrophobicContact CB-CE2 4.07Å; D1460-F1528 HydrophobicContact CB-CZ 4.13Å; V1461-F1528 HydrophobicContact CB-CZ 4.27Å; V1461-F1528 HydrophobicContact CG2-CD1 4.37Å; V1461-F1528 HydrophobicContact CG2-CD2 3.89Å; V1461-F1528 HydrophobicContact CG2-CE1 4.02Å; V1461-F1528 HydrophobicContact CG2-CE2 3.49Å; V1461-F1528 VanDerWaalsContact CG2-CE2 3.49Å; V1461-F1528 HydrophobicContact CG2-CG 4.33Å; V1461-F1528 HydrophobicContact CG2-CZ 3.58Å; Y1464-F1528 HydrophobicContact CD1-CE1 4.37Å; Y1464-F1528 HydrophobicContact CD2-CE1 4.04Å; Y1464-F1528 AromaticContact CG-CE1 3.85Å; Y1464-F1528 HydrophobicContact CG-CE1 3.85Å; F1528-L1531 HydrophobicContact CD1-CD1 3.58Å; F1528-L1531 HydrophobicContact CE1-CD1 3.93Å; F1528-L1531 HydrophobicContact CG-CD1 4.42Å; F1528-L1531 PolarHBondContact O-N 2.81Å; F1528-C1532 PolarHBondContact O-N 2.87Å; F1528-C1532 PolarHBondContact O-SG 2.72Å |
| 1529 | L | 79.5 | Confident | 81.9 | Confident | 77 Ų | 77 | 36.6 Ų | 36.6 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 169.1 | -71.8 | 169.3 | 0 | 0 | 0 | 111.6 | A1402 T1527 C1532 A1533 F1550 | A1402-L1529 HydrophobicContact CB-CD2 3.79Å; A1402-L1529 HydrophobicContact CB-CG 4.05Å; T1527-L1529 VanDerWaalsContact C-N 3.27Å; T1527-L1529 PolarHBondContact O-N 2.81Å; L1529-C1532 WeakPolarHBondContact O-CB 3.47Å; L1529-C1532 PolarHBondContact O-N 3.22Å; L1529-A1533 PolarHBondContact O-N 3.47Å; L1529-F1550 HydrophobicContact CD2-CD2 3.94Å |
| 1530 | G | 81.9 | Confident | 80 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1527 C1532 A1533 L1534 | T1527-G1530 CarbonylContact O-C 3.59Å; T1527-G1530 WeakPolarHBondContact O-CA 3.16Å; T1527-G1530 PolarHBondContact O-N 3.02Å; T1527-G1530 PolarHBondContact OG1-N 2.87Å; T1527-G1530 VanDerWaalsContact OG1-N 3.13Å; G1530-C1532 VanDerWaalsContact C-N 3.3Å; G1530-C1532 PolarHBondContact O-N 2.97Å; G1530-A1533 PolarHBondContact O-N 3.09Å; G1530-A1533 VanDerWaalsContact O-N 3.15Å; G1530-L1534 WeakPolarHBondContact O-CD1 3.04Å; G1530-L1534 WeakPolarHBondContact O-CG 3.25Å; G1530-L1534 PolarHBondContact O-N 3.19Å |
| 1531 | L | 86.6 | Confident | 79 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -39.3 | 173.4 | -70.4 | 169.7 | 0 | 0 | 0 | 112.2 | A1398 V1461 Y1464 L1513 P1526 T1527 F1528 L1535 | A1398-L1531 HydrophobicContact CB-CB 4.11Å; V1461-L1531 HydrophobicContact CG1-CD1 4.4Å; Y1464-L1531 HydrophobicContact CD1-CD1 3.73Å; Y1464-L1531 HydrophobicContact CE1-CD1 3.56Å; Y1464-L1531 HydrophobicContact CE1-CD2 4Å; Y1464-L1531 HydrophobicContact CE1-CG 4.28Å; L1513-L1531 HydrophobicContact CD2-CD2 3.82Å; P1526-L1531 HydrophobicContact CB-CD2 4.13Å; P1526-L1531 HydrophobicContact CB-CG 4.12Å; P1526-L1531 HydrophobicContact CG-CD1 4.33Å; P1526-L1531 HydrophobicContact CG-CD2 3.6Å; P1526-L1531 HydrophobicContact CG-CG 3.91Å; T1527-L1531 WeakPolarHBondContact O-CG 3.23Å; T1527-L1531 PolarHBondContact O-N 2.89Å; F1528-L1531 HydrophobicContact CD1-CD1 3.58Å; F1528-L1531 HydrophobicContact CE1-CD1 3.93Å; F1528-L1531 HydrophobicContact CG-CD1 4.42Å; F1528-L1531 PolarHBondContact O-N 2.81Å; L1531-L1535 WeakPolarHBondContact O-CB 3.07Å; L1531-L1535 WeakPolarHBondContact O-CG 3.26Å; L1531-L1535 PolarHBondContact O-N 3.29Å; L1531-L1535 VanDerWaalsContact O-N 3.14Å |
| 1532 | C | 83.6 | Confident | 78 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 172 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | D1399 F1528 L1529 G1530 L1534 L1535 S1536 F1550 | D1399-C1532 VanDerWaalsContact CA-SG 3.55Å; D1399-C1532 PolarHBondContact N-SG 2.75Å; F1528-C1532 PolarHBondContact O-N 2.87Å; F1528-C1532 PolarHBondContact O-SG 2.72Å; L1529-C1532 WeakPolarHBondContact O-CB 3.47Å; L1529-C1532 PolarHBondContact O-N 3.22Å; G1530-C1532 VanDerWaalsContact C-N 3.3Å; G1530-C1532 PolarHBondContact O-N 2.97Å; C1532-L1534 VanDerWaalsContact C-N 3.31Å; C1532-L1534 PolarHBondContact O-N 3.28Å; C1532-L1535 PolarHBondContact O-N 3.33Å; C1532-S1536 WeakPolarHBondContact O-CB 3.4Å; C1532-S1536 PolarHBondContact O-N 2.92Å; C1532-S1536 PolarHBondContact O-OG 3.32Å; C1532-S1536 VanDerWaalsContact O-OG 3.13Å; C1532-F1550 HydrophobicContact CB-CB 4.2Å; C1532-F1550 HydrophobicContact CB-CD1 4.41Å; C1532-F1550 HydrophobicContact CB-CD2 3.53Å; C1532-F1550 HydrophobicContact CB-CE2 3.92Å; C1532-F1550 HydrophobicContact CB-CG 3.81Å |
| 1533 | A | 79 | Confident | 77.2 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1529 G1530 S1536 P1537 F1550 | L1529-A1533 PolarHBondContact O-N 3.47Å; G1530-A1533 PolarHBondContact O-N 3.09Å; G1530-A1533 VanDerWaalsContact O-N 3.15Å; A1533-S1536 PolarHBondContact O-OG 3.44Å; A1533-P1537 WeakPolarHBondContact O-CD 3.49Å; A1533-F1550 HydrophobicContact CB-CE2 4.02Å; A1533-F1550 HydrophobicContact CB-CZ 3.95Å |
| 1534 | L | 82.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73 | -31.7 | -179.8 | -63.5 | 162.9 | 0 | 0 | 0 | 113.5 | L1513 G1530 C1532 L1589 L1593 L1596 F1597 | L1513-L1534 HydrophobicContact CD2-CB 4.35Å; L1513-L1534 HydrophobicContact CD2-CD1 3.85Å; G1530-L1534 WeakPolarHBondContact O-CD1 3.04Å; G1530-L1534 WeakPolarHBondContact O-CG 3.25Å; G1530-L1534 PolarHBondContact O-N 3.19Å; C1532-L1534 VanDerWaalsContact C-N 3.31Å; C1532-L1534 PolarHBondContact O-N 3.28Å; L1534-L1589 HydrophobicContact CB-CD1 4.13Å; L1534-L1589 HydrophobicContact CD2-CD1 3.55Å; L1534-L1589 HydrophobicContact CD2-CG 4.26Å; L1534-L1589 HydrophobicContact CG-CD1 4.32Å; L1534-L1593 HydrophobicContact CD1-CD2 3.59Å; L1534-L1593 HydrophobicContact CD2-CD2 3.93Å; L1534-L1593 HydrophobicContact CD2-CG 4.21Å; L1534-L1593 HydrophobicContact CG-CD2 4.42Å; L1534-L1596 HydrophobicContact CD2-CD1 4.18Å; L1534-F1597 HydrophobicContact CD1-CE2 4.33Å |
| 1535 | L | 83.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -93.1 | -27.7 | -178.7 | -72.1 | 164.8 | 0 | 0 | 0 | 113.8 | Y1391 A1394 T1395 Y1464 L1509 F1510 L1513 L1531 C1532 C1538 F1539 | Y1391-L1535 HydrophobicContact CD1-CD2 4.23Å; A1394-L1535 HydrophobicContact CB-CD1 3.8Å; T1395-L1535 HydrophobicContact CG2-CB 4.16Å; T1395-L1535 WeakPolarHBondContact OG1-CB 3.5Å; Y1464-L1535 VanDerWaalsContact OH-CD1 3.28Å; Y1464-L1535 WeakPolarHBondContact OH-CD1 3.27Å; L1509-L1535 HydrophobicContact CD2-CD2 4.05Å; L1509-L1535 HydrophobicContact CG-CD2 4.43Å; F1510-L1535 HydrophobicContact CD1-CD2 4.49Å; F1510-L1535 HydrophobicContact CE1-CD2 3.99Å; L1513-L1535 HydrophobicContact CD1-CD1 4.23Å; L1513-L1535 HydrophobicContact CD1-CD2 3.55Å; L1513-L1535 HydrophobicContact CD1-CG 3.82Å; L1531-L1535 WeakPolarHBondContact O-CB 3.07Å; L1531-L1535 WeakPolarHBondContact O-CG 3.26Å; L1531-L1535 PolarHBondContact O-N 3.29Å; L1531-L1535 VanDerWaalsContact O-N 3.14Å; C1532-L1535 PolarHBondContact O-N 3.33Å; L1535-C1538 WeakPolarHBondContact O-CB 3.37Å; L1535-C1538 PolarHBondContact O-N 2.9Å; L1535-F1539 WeakPolarHBondContact O-CD1 3.3Å; L1535-F1539 WeakPolarHBondContact O-CE1 3.46Å |
| 1536 | S | 73.5 | Confident | 74.9 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -58.6 | -28.7 | -175.2 | 64.4 | 0 | 0 | 0 | 0 | 116.3 | C1532 A1533 C1538 | C1532-S1536 WeakPolarHBondContact O-CB 3.4Å; C1532-S1536 PolarHBondContact O-N 2.92Å; C1532-S1536 PolarHBondContact O-OG 3.32Å; C1532-S1536 VanDerWaalsContact O-OG 3.13Å; A1533-S1536 PolarHBondContact O-OG 3.44Å; S1536-C1538 VanDerWaalsContact C-N 3.27Å; S1536-C1538 PolarHBondContact O-N 3.48Å |
| 1537 | P | 71.4 | Confident | 73.7 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -68.3 | -26.4 | 172.7 | -20.4 | 34.4 | 0 | 0 | 0 | 113 | A1533 F1539 I1579 C1581 | A1533-P1537 WeakPolarHBondContact O-CD 3.49Å; P1537-F1539 VanDerWaalsContact C-N 3.3Å; P1537-F1539 PolarHBondContact O-N 2.89Å; P1537-I1579 HydrophobicContact CB-CB 4.32Å; P1537-I1579 HydrophobicContact CB-CG2 4.47Å; P1537-I1579 HydrophobicContact CG-CB 4.21Å; P1537-C1581 PolarHBondContact O-SG 3.18Å; P1537-C1581 VanDerWaalsContact O-SG 3.41Å |
| 1538 | C | 69 | Low | 73.1 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -84.8 | 6.4 | -166.3 | -56.9 | 0 | 0 | 0 | 0 | 115 | Y1391 L1509 L1535 S1536 | Y1391-C1538 HydrophobicContact CD2-CB 3.59Å; Y1391-C1538 HydrophobicContact CE2-CB 4.07Å; Y1391-C1538 HydrophobicContact CG-CB 4.15Å; L1509-C1538 HydrophobicContact CD2-CB 4.25Å; L1509-C1538 VanDerWaalsContact CD2-SG 3.5Å; L1535-C1538 WeakPolarHBondContact O-CB 3.37Å; L1535-C1538 PolarHBondContact O-N 2.9Å; S1536-C1538 VanDerWaalsContact C-N 3.27Å; S1536-C1538 PolarHBondContact O-N 3.48Å |
| 1539 | F | 66.2 | Low | 72.6 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | trans | -152.1 | 142.7 | 173.3 | 65.9 | -82.9 | 0 | 0 | 0 | 112.8 | L1392 T1395 L1535 P1537 D1541 F1544 | L1392-F1539 HydrophobicContact CB-CB 4.49Å; L1392-F1539 HydrophobicContact CB-CD2 4.27Å; L1392-F1539 HydrophobicContact CB-CG 4.24Å; L1392-F1539 HydrophobicContact CD1-CD2 3.55Å; L1392-F1539 HydrophobicContact CD1-CE2 3.49Å; L1392-F1539 VanDerWaalsContact CD1-CE2 3.49Å; L1392-F1539 HydrophobicContact CD1-CG 4.33Å; L1392-F1539 HydrophobicContact CD1-CZ 4.24Å; L1392-F1539 HydrophobicContact CG-CD2 4.43Å; T1395-F1539 HydrophobicContact CG2-CE1 3.74Å; T1395-F1539 HydrophobicContact CG2-CZ 3.77Å; T1395-F1539 WeakPolarHBondContact OG1-CE1 3.24Å; L1535-F1539 WeakPolarHBondContact O-CD1 3.3Å; L1535-F1539 WeakPolarHBondContact O-CE1 3.46Å; P1537-F1539 VanDerWaalsContact C-N 3.3Å; P1537-F1539 PolarHBondContact O-N 2.89Å; F1539-D1541 HydrophobicContact CD2-CB 3.83Å; F1539-D1541 HydrophobicContact CE2-CB 4.11Å; F1539-D1541 PolarHBondContact O-N 3.45Å; F1539-F1544 HydrophobicContact CE2-CB 3.91Å; F1539-F1544 AromaticContact CE2-CD1 3.67Å; F1539-F1544 HydrophobicContact CE2-CD1 3.67Å; F1539-F1544 HydrophobicContact CE2-CD2 4.49Å; F1539-F1544 HydrophobicContact CE2-CE1 4.36Å; F1539-F1544 AromaticContact CE2-CG 3.75Å; F1539-F1544 HydrophobicContact CE2-CG 3.75Å; F1539-F1544 AromaticContact CZ-CD1 3.62Å; F1539-F1544 HydrophobicContact CZ-CD1 3.62Å; F1539-F1544 HydrophobicContact CZ-CD2 4.47Å; F1539-F1544 AromaticContact CZ-CE1 3.84Å; F1539-F1544 HydrophobicContact CZ-CE1 3.84Å; F1539-F1544 AromaticContact CZ-CG 3.97Å; F1539-F1544 HydrophobicContact CZ-CG 3.97Å; F1539-F1544 HydrophobicContact CZ-CZ 4.35Å | ||
| 1540 | G | 52.1 | Low | 72.5 | Confident | 79 Ų | 79 | 40 Ų | 40 | 81% | 0.814 | 23% | 0.231 | S | C | * | . | trans | -94.3 | 36 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1542 | G1540-A1542 PolarHBondContact O-N 3.11Š| ||
| 1541 | D | 67 | Low | 71.8 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | trans | -85.8 | 105.2 | -175.4 | -172.3 | 12.3 | 0 | 0 | 0 | 113.2 | L1392 F1539 K1543 F1544 R1545 | L1392-D1541 HydrophobicContact CD1-CB 4.02Å; L1392-D1541 HydrophobicContact CD2-CB 4.41Å; F1539-D1541 HydrophobicContact CD2-CB 3.83Å; F1539-D1541 HydrophobicContact CE2-CB 4.11Å; F1539-D1541 PolarHBondContact O-N 3.45Å; D1541-K1543 VanDerWaalsContact C-N 3.26Å; D1541-K1543 PolarHBondContact O-N 3.09Å; D1541-K1543 VanDerWaalsContact OD1-CB 3.3Å; D1541-K1543 WeakPolarHBondContact OD1-CB 3.33Å; D1541-K1543 PolarHBondContact OD1-N 2.99Å; D1541-F1544 HydrophobicContact CB-CB 3.99Å; D1541-F1544 PolarHBondContact O-N 3.16Å; D1541-F1544 PolarHBondContact OD2-N 2.63Å; D1541-R1545 PolarHBondContact O-N 3.43Å | ||
| 1542 | A | 66 | Low | 70.9 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -27.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1540 R1545 L1546 | G1540-A1542 PolarHBondContact O-N 3.11Å; A1542-R1545 PolarHBondContact O-N 2.98Å; A1542-L1546 WeakPolarHBondContact O-CG 3.38Å; A1542-L1546 PolarHBondContact O-N 3.38Å |
| 1543 | K | 66.7 | Low | 69.9 | Low | 164 Ų | 164 | 49.6 Ų | 49.6 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72 | -35.1 | 177.5 | -61.4 | 176.9 | -179.1 | 172.5 | 0 | 111.7 | D1541 A1547 | D1541-K1543 VanDerWaalsContact C-N 3.26Å; D1541-K1543 PolarHBondContact O-N 3.09Å; D1541-K1543 VanDerWaalsContact OD1-CB 3.3Å; D1541-K1543 WeakPolarHBondContact OD1-CB 3.33Å; D1541-K1543 PolarHBondContact OD1-N 2.99Å; K1543-A1547 VanDerWaalsContact O-CB 3.3Å; K1543-A1547 WeakPolarHBondContact O-CB 3.41Å; K1543-A1547 PolarHBondContact O-N 2.89Å |
| 1544 | F | 72.9 | Confident | 68.6 | Low | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 171.5 | 175.7 | -95.8 | 0 | 0 | 0 | 110.6 | H1234 L1392 T1395 Q1396 D1399 F1539 D1541 L1546 A1547 S1548 Y1551 | H1234-F1544 AromaticContact CE1-CD2 3.7Å; H1234-F1544 AromaticContact CE1-CE2 3.75Å; H1234-F1544 AromaticContact NE2-CD2 3.98Å; L1392-F1544 HydrophobicContact CD1-CB 4.33Å; T1395-F1544 HydrophobicContact CG2-CE1 4.1Å; T1395-F1544 HydrophobicContact CG2-CE2 4.17Å; T1395-F1544 HydrophobicContact CG2-CZ 3.61Å; Q1396-F1544 HydrophobicContact CG-CD2 4.01Å; Q1396-F1544 HydrophobicContact CG-CE2 4.29Å; D1399-F1544 HydrophobicContact CB-CE2 3.72Å; D1399-F1544 HydrophobicContact CB-CZ 3.74Å; F1539-F1544 HydrophobicContact CE2-CB 3.91Å; F1539-F1544 AromaticContact CE2-CD1 3.67Å; F1539-F1544 HydrophobicContact CE2-CD1 3.67Å; F1539-F1544 HydrophobicContact CE2-CD2 4.49Å; F1539-F1544 HydrophobicContact CE2-CE1 4.36Å; F1539-F1544 AromaticContact CE2-CG 3.75Å; F1539-F1544 HydrophobicContact CE2-CG 3.75Å; F1539-F1544 AromaticContact CZ-CD1 3.62Å; F1539-F1544 HydrophobicContact CZ-CD1 3.62Å; F1539-F1544 HydrophobicContact CZ-CD2 4.47Å; F1539-F1544 AromaticContact CZ-CE1 3.84Å; F1539-F1544 HydrophobicContact CZ-CE1 3.84Å; F1539-F1544 AromaticContact CZ-CG 3.97Å; F1539-F1544 HydrophobicContact CZ-CG 3.97Å; F1539-F1544 HydrophobicContact CZ-CZ 4.35Å; D1541-F1544 HydrophobicContact CB-CB 3.99Å; D1541-F1544 PolarHBondContact O-N 3.16Å; D1541-F1544 PolarHBondContact OD2-N 2.63Å; F1544-L1546 PolarHBondContact O-N 2.92Å; F1544-A1547 CarbonylContact O-C 3.58Å; F1544-A1547 PolarHBondContact O-N 2.85Å; F1544-A1547 VanDerWaalsContact O-N 3.07Å; F1544-S1548 WeakPolarHBondContact O-CB 3.45Å; F1544-S1548 PolarHBondContact O-N 3.45Å; F1544-Y1551 HydrophobicContact CD1-CE2 4.26Å; F1544-Y1551 HydrophobicContact CE1-CD2 4.28Å; F1544-Y1551 AromaticContact CE1-CE2 3.98Å; F1544-Y1551 HydrophobicContact CE1-CE2 3.98Å |
| 1545 | R | 71 | Confident | 66.8 | Low | 130 Ų | 130 | 62 Ų | 62 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.6 | -51.9 | -179.1 | -59.6 | -174.5 | -167.7 | -173.2 | 2.1 | 112 | D1541 A1542 A1547 S1548 Y1551 H1552 | D1541-R1545 PolarHBondContact O-N 3.43Å; A1542-R1545 PolarHBondContact O-N 2.98Å; R1545-A1547 PolarHBondContact O-N 3.19Å; R1545-A1547 VanDerWaalsContact O-N 3.08Å; R1545-S1548 PolarHBondContact O-N 3.44Å; R1545-Y1551 HydrophobicContact CB-CD2 4.18Å; R1545-Y1551 HydrophobicContact CB-CE2 4.28Å; R1545-Y1551 HydrophobicContact CG-CD2 4.23Å; R1545-Y1551 HydrophobicContact CG-CE2 3.81Å; R1545-H1552 PolarHBondContact O-CD2 2.7Å; R1545-H1552 PolarHBondContact O-NE2 3.21Å |
| 1546 | L | 65.9 | Low | 64.7 | Low | 138 Ų | 138 | 64.8 Ų | 64.8 | 72% | 0.723 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -10.4 | -179.7 | -70.1 | 170 | 0 | 0 | 0 | 115.2 | A1542 F1544 | A1542-L1546 WeakPolarHBondContact O-CG 3.38Å; A1542-L1546 PolarHBondContact O-N 3.38Å; F1544-L1546 PolarHBondContact O-N 2.92Å |
| 1547 | A | 63.6 | Low | 63.1 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1233 K1543 F1544 R1545 | Y1233-A1547 HydrophobicContact CD1-CB 3.47Å; Y1233-A1547 VanDerWaalsContact CD1-CB 3.47Å; Y1233-A1547 HydrophobicContact CD2-CB 4.47Å; Y1233-A1547 HydrophobicContact CE1-CB 4.09Å; Y1233-A1547 HydrophobicContact CG-CB 3.68Å; K1543-A1547 VanDerWaalsContact O-CB 3.3Å; K1543-A1547 WeakPolarHBondContact O-CB 3.41Å; K1543-A1547 PolarHBondContact O-N 2.89Å; F1544-A1547 CarbonylContact O-C 3.58Å; F1544-A1547 PolarHBondContact O-N 2.85Å; F1544-A1547 VanDerWaalsContact O-N 3.07Å; R1545-A1547 PolarHBondContact O-N 3.19Å; R1545-A1547 VanDerWaalsContact O-N 3.08Å |
| 1548 | S | 70.3 | Confident | 61.3 | Low | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | trans | -86.4 | 137.2 | -173.7 | 154.7 | 0 | 0 | 0 | 0 | 111.3 | D1399 F1544 R1545 F1550 Y1551 H1552 | D1399-S1548 WeakPolarHBondContact OD1-CA 3.23Å; D1399-S1548 VanDerWaalsContact OD1-CB 3.32Å; D1399-S1548 WeakPolarHBondContact OD1-CB 3.29Å; D1399-S1548 PolarHBondContact OD1-OG 3.19Å; D1399-S1548 WeakPolarHBondContact OD2-CA 3.44Å; F1544-S1548 WeakPolarHBondContact O-CB 3.45Å; F1544-S1548 PolarHBondContact O-N 3.45Å; R1545-S1548 PolarHBondContact O-N 3.44Å; S1548-F1550 WeakPolarHBondContact OG-CB 3.32Å; S1548-F1550 PolarHBondContact OG-N 3.3Å; S1548-F1550 VanDerWaalsContact OG-N 3.17Å; S1548-Y1551 WeakPolarHBondContact OG-CD2 3.27Å; S1548-Y1551 PolarHBondContact OG-N 3.21Å; S1548-H1552 PolarHBondContact O-N 2.91Å | ||
| 1549 | F | 73 | Confident | 59.4 | Low | 28 Ų | 28 | 78.1 Ų | 78.1 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 171 | 175 | -110.6 | 0 | 0 | 0 | 111.5 | D1399 A1402 Y1403 A1406 Y1551 H1552 G1553 E1554 | D1399-F1549 PolarHBondContact OD1-N 3.46Å; D1399-F1549 PolarHBondContact OD2-N 3.47Å; A1402-F1549 HydrophobicContact CB-CD1 4.31Å; A1402-F1549 WeakPolarHBondContact O-CE1 3.5Å; Y1403-F1549 HydrophobicContact CD2-CB 4.35Å; Y1403-F1549 HydrophobicContact CD2-CD1 4.47Å; Y1403-F1549 AromaticContact CD2-CD2 3.65Å; Y1403-F1549 HydrophobicContact CD2-CD2 3.65Å; Y1403-F1549 HydrophobicContact CD2-CE2 4Å; Y1403-F1549 AromaticContact CD2-CG 3.89Å; Y1403-F1549 HydrophobicContact CD2-CG 3.89Å; Y1403-F1549 HydrophobicContact CE2-CD2 4.38Å; A1406-F1549 HydrophobicContact CB-CE1 3.87Å; A1406-F1549 HydrophobicContact CB-CZ 3.52Å; F1549-Y1551 VanDerWaalsContact C-N 3.25Å; F1549-Y1551 PolarHBondContact O-N 2.96Å; F1549-H1552 PolarHBondContact O-N 3.2Å; F1549-G1553 PolarHBondContact O-N 2.98Å; F1549-E1554 HydrophobicContact CE2-CG 4.19Å |
| 1550 | F | 77 | Confident | 57.7 | Low | 40 Ų | 40 | 88.2 Ų | 88.2 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57 | -32.9 | 177.1 | 172.6 | -94.9 | 0 | 0 | 0 | 113.5 | D1399 L1529 C1532 A1533 S1548 L1574 | D1399-F1550 WeakPolarHBondContact OD1-CB 3.32Å; D1399-F1550 PolarHBondContact OD1-N 2.95Å; L1529-F1550 HydrophobicContact CD2-CD2 3.94Å; C1532-F1550 HydrophobicContact CB-CB 4.2Å; C1532-F1550 HydrophobicContact CB-CD1 4.41Å; C1532-F1550 HydrophobicContact CB-CD2 3.53Å; C1532-F1550 HydrophobicContact CB-CE2 3.92Å; C1532-F1550 HydrophobicContact CB-CG 3.81Å; A1533-F1550 HydrophobicContact CB-CE2 4.02Å; A1533-F1550 HydrophobicContact CB-CZ 3.95Å; S1548-F1550 WeakPolarHBondContact OG-CB 3.32Å; S1548-F1550 PolarHBondContact OG-N 3.3Å; S1548-F1550 VanDerWaalsContact OG-N 3.17Å; F1550-L1574 HydrophobicContact CE1-CD1 4.25Å; F1550-L1574 HydrophobicContact CZ-CD1 3.91Å |
| 1551 | Y | 67.8 | Low | 56.8 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 34% | 0.341 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -91.5 | -21.5 | 178.1 | -76.8 | -71.5 | 0 | 0 | 0 | 115.5 | F1544 R1545 S1548 F1549 | F1544-Y1551 HydrophobicContact CD1-CE2 4.26Å; F1544-Y1551 HydrophobicContact CE1-CD2 4.28Å; F1544-Y1551 AromaticContact CE1-CE2 3.98Å; F1544-Y1551 HydrophobicContact CE1-CE2 3.98Å; R1545-Y1551 HydrophobicContact CB-CD2 4.18Å; R1545-Y1551 HydrophobicContact CB-CE2 4.28Å; R1545-Y1551 HydrophobicContact CG-CD2 4.23Å; R1545-Y1551 HydrophobicContact CG-CE2 3.81Å; S1548-Y1551 WeakPolarHBondContact OG-CD2 3.27Å; S1548-Y1551 PolarHBondContact OG-N 3.21Å; F1549-Y1551 VanDerWaalsContact C-N 3.25Å; F1549-Y1551 PolarHBondContact O-N 2.96Å |
| 1552 | H | 67.4 | Low | 55.3 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 43% | 0.426 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -133.8 | -7 | -167.4 | -66 | -44 | 0 | 0 | 0 | 116.3 | R1545 S1548 F1549 | R1545-H1552 PolarHBondContact O-CD2 2.7Å; R1545-H1552 PolarHBondContact O-NE2 3.21Å; S1548-H1552 PolarHBondContact O-N 2.91Å; F1549-H1552 PolarHBondContact O-N 3.2Å |
| 1553 | G | 61.2 | Low | 53.6 | Low | 30 Ų | 30 | 104.5 Ų | 104.5 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -146.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1549 | F1549-G1553 PolarHBondContact O-N 2.98Š|
| 1554 | E | 52.2 | Low | 51.8 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -19.5 | -175 | -62.2 | -166.1 | -161.3 | 0 | 0 | 115 | K1407 F1549 S1556 | K1407-E1554 WeakPolarHBondContact CE-OE1 3.15Å; K1407-E1554 VanDerWaalsContact CE-OE2 3.27Å; K1407-E1554 WeakPolarHBondContact CE-OE2 3.43Å; K1407-E1554 IonicContact NZ-OE1 2.83Å; K1407-E1554 PolarHBondContact NZ-OE1 2.9Å; K1407-E1554 IonicContact NZ-OE2 3.29Å; K1407-E1554 PolarHBondContact NZ-OE2 2.86Å; F1549-E1554 HydrophobicContact CE2-CG 4.19Å; E1554-S1556 PolarHBondContact O-N 2.79Å; E1554-S1556 VanDerWaalsContact O-N 3.11Å |
| 1555 | Q | 43.8 | Very low | 49.7 | Very low | 159 Ų | 159 | 111.1 Ų | 111.1 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -78 | 3.5 | -166.4 | -66.2 | -176.7 | -13 | 0 | 0 | 114.8 | F1557 | Q1555-F1557 PolarHBondContact O-N 2.93Š|
| 1556 | S | 41.6 | Very low | 47.6 | Very low | 60 Ų | 60 | 111.5 Ų | 111.5 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -80.7 | -4.3 | -163 | 49.8 | 0 | 0 | 0 | 0 | 117.2 | E1554 | E1554-S1556 PolarHBondContact O-N 2.79Å; E1554-S1556 VanDerWaalsContact O-N 3.11Å |
| 1557 | F | 38.9 | Very low | 45.8 | Very low | 99 Ų | 99 | 112.6 Ų | 112.6 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -130.8 | 2.4 | -173.6 | -81.8 | -82 | 0 | 0 | 0 | 117 | Q1555 | Q1555-F1557 PolarHBondContact O-N 2.93Š|
| 1558 | V | 34.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -117.8 | 70.5 | -179.7 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1559 | N | 28.4 | Very low | 41.9 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -173.1 | 119.7 | 148.9 | -100.1 | -30.7 | 0 | 0 | 0 | 110.4 | ||||
| 1560 | R | 31.5 | Very low | 39.7 | Very low | 232 Ų | 232 | 126.6 Ų | 126.6 | 88% | 0.875 | 65% | 0.648 | S | S | * | * | trans | -136.5 | 2.8 | 169.7 | -122.9 | -179.4 | -173.6 | -175.6 | 1.3 | 114.8 | ||||
| 1561 | D | 33.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -122 | 130 | 175.4 | -75.5 | -63.3 | 0 | 0 | 0 | 110.7 | ||
| 1562 | N | 35 | Very low | 35.7 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 47.9 | 91.6 | 159 | -64.3 | -38.7 | 0 | 0 | 0 | 120.7 | ||
| 1563 | R | 29.2 | Very low | 33.9 | Very low | 246 Ų | 246 | 132.2 Ų | 132.2 | 93% | 0.928 | 72% | 0.715 | S | S | * | * | trans | 30.1 | 95.6 | 135.7 | -67.3 | 179.7 | 170.8 | 178.8 | -3.6 | 117.8 | ||||
| 1564 | S | 30.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -161.2 | 133.4 | 144.2 | -87.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1565 | K | 28.9 | Very low | 31.6 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | 22.5 | 117 | 166.4 | -65.3 | -173.4 | 174.8 | -173.5 | 0 | 119.2 | ||||
| 1566 | V | 26.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -64.2 | 142.7 | 158.5 | 179.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1567 | L | 28 | Very low | 30.8 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -133.4 | 128.7 | 167.2 | -108.7 | 152.3 | 0 | 0 | 0 | 106.7 | ||||
| 1568 | E | 26.9 | Very low | 30.5 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -80.8 | 124.1 | -170.5 | -63.6 | 179 | 131.6 | 0 | 0 | 111.2 | ||||
| 1569 | A | 24.9 | Very low | 30.8 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 52% | 0.521 | 73% | 0.734 | S | S | . | * | trans | -87.4 | 144.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1571 | A1569-A1571 PolarHBondContact O-N 2.83Å; A1569-A1571 VanDerWaalsContact O-N 3.11Å | ||
| 1570 | P | 26.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -66.5 | 114.4 | -171.5 | 25.8 | -34.5 | 0 | 0 | 0 | 111.7 | V1572 | P1570-V1572 PolarHBondContact O-N 3.03Š| ||
| 1571 | A | 28.6 | Very low | 31.4 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | trans | -65.8 | 125.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1569 S1573 | A1569-A1571 PolarHBondContact O-N 2.83Å; A1569-A1571 VanDerWaalsContact O-N 3.11Å; A1571-S1573 PolarHBondContact O-N 2.95Å; A1571-S1573 VanDerWaalsContact O-N 3.17Å | ||
| 1572 | V | 32 | Very low | 31.8 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 70% | 0.7 | S | S | * | * | trans | -60.1 | 120.7 | 169.3 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | P1570 L1574 | P1570-V1572 PolarHBondContact O-N 3.03Å; V1572-L1574 VanDerWaalsContact C-N 3.3Å; V1572-L1574 PolarHBondContact O-N 2.79Å | ||
| 1573 | S | 29.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -74.2 | 78.8 | -167.3 | -165.9 | 0 | 0 | 0 | 0 | 112.8 | A1571 G1575 | A1571-S1573 PolarHBondContact O-N 2.95Å; A1571-S1573 VanDerWaalsContact O-N 3.17Å; S1573-G1575 PolarHBondContact O-N 2.68Å | ||
| 1574 | L | 33.6 | Very low | 32.8 | Very low | 84 Ų | 84 | 116.6 Ų | 116.6 | 44% | 0.44 | 68% | 0.677 | S | S | . | * | trans | -73 | 4.3 | 176 | -83.9 | 162 | 0 | 0 | 0 | 113.8 | F1550 V1572 K1576 L1577 | F1550-L1574 HydrophobicContact CE1-CD1 4.25Å; F1550-L1574 HydrophobicContact CZ-CD1 3.91Å; V1572-L1574 VanDerWaalsContact C-N 3.3Å; V1572-L1574 PolarHBondContact O-N 2.79Å; L1574-K1576 PolarHBondContact O-N 2.91Å; L1574-L1577 HydrophobicContact CD2-CD1 4.37Å; L1574-L1577 PolarHBondContact O-N 2.93Å | ||
| 1575 | G | 31 | Very low | 33.2 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 16.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | S1573 | S1573-G1575 PolarHBondContact O-N 2.68Š|
| 1576 | K | 34.8 | Very low | 33.7 | Very low | 200 Ų | 200 | 106.6 Ų | 106.6 | 87% | 0.87 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -9 | 178.3 | -72.4 | -170.7 | 175.8 | -177.9 | 0 | 115.5 | L1574 N1578 | L1574-K1576 PolarHBondContact O-N 2.91Å; K1576-N1578 PolarHBondContact O-N 2.88Å |
| 1577 | L | 34.4 | Very low | 34.7 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 38% | 0.377 | 63% | 0.625 | S | S | . | * | trans | -97.4 | 80.8 | -178.4 | -78.9 | 169.6 | 0 | 0 | 0 | 112.4 | L1574 I1579 A1592 L1596 | L1574-L1577 HydrophobicContact CD2-CD1 4.37Å; L1574-L1577 PolarHBondContact O-N 2.93Å; L1577-I1579 HydrophobicContact CD2-CD1 4.39Å; L1577-I1579 PolarHBondContact O-N 3.43Å; L1577-A1592 HydrophobicContact CD2-CB 4.13Å; L1577-L1596 HydrophobicContact CD1-CD1 3.98Å; L1577-L1596 HydrophobicContact CD1-CD2 4.22Å; L1577-L1596 HydrophobicContact CD1-CG 4.3Å | ||
| 1578 | N | 33.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 101.5 Ų | 101.5 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | trans | -82.3 | 59.8 | 179 | -162.7 | 15.2 | 0 | 0 | 0 | 112.4 | K1576 S1580 | K1576-N1578 PolarHBondContact O-N 2.88Å; N1578-S1580 PolarHBondContact O-N 3.35Å | ||
| 1579 | I | 39.9 | Very low | 36.3 | Very low | 45 Ų | 45 | 94.9 Ų | 94.9 | 23% | 0.231 | 57% | 0.57 | C | S | . | * | trans | -76.9 | 91.4 | -177.6 | -57.1 | 178.3 | 0 | 0 | 0 | 110.2 | P1537 L1577 C1581 A1592 | P1537-I1579 HydrophobicContact CB-CB 4.32Å; P1537-I1579 HydrophobicContact CB-CG2 4.47Å; P1537-I1579 HydrophobicContact CG-CB 4.21Å; L1577-I1579 HydrophobicContact CD2-CD1 4.39Å; L1577-I1579 PolarHBondContact O-N 3.43Å; I1579-C1581 PolarHBondContact O-N 3.44Å; I1579-A1592 HydrophobicContact CD1-CB 4.09Å | ||
| 1580 | S | 35.7 | Very low | 37.2 | Very low | 57 Ų | 57 | 94.3 Ų | 94.3 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | trans | -69.8 | 122.4 | 168 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | N1578 N1582 Q1583 | N1578-S1580 PolarHBondContact O-N 3.35Å; S1580-N1582 PolarHBondContact O-N 2.93Å; S1580-N1582 PolarHBondContact OG-N 2.83Å; S1580-Q1583 PolarHBondContact O-N 2.99Å | ||
| 1581 | C | 37.5 | Very low | 38.1 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 48% | 0.48 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | 4.9 | 178 | -60.9 | 0 | 0 | 0 | 0 | 114.9 | P1537 I1579 | P1537-C1581 PolarHBondContact O-SG 3.18Å; P1537-C1581 VanDerWaalsContact O-SG 3.41Å; I1579-C1581 PolarHBondContact O-N 3.44Å |
| 1582 | N | 40.4 | Very low | 38.7 | Very low | 153 Ų | 153 | 87.5 Ų | 87.5 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 11.5 | 180 | -67.2 | -12 | 0 | 0 | 0 | 113.3 | S1580 | S1580-N1582 PolarHBondContact O-N 2.93Å; S1580-N1582 PolarHBondContact OG-N 2.83Å |
| 1583 | Q | 41.8 | Very low | 39.3 | Very low | 148 Ų | 148 | 82 Ų | 82 | 69% | 0.692 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -126.8 | 160.6 | 173.1 | -72.4 | 179 | -30.2 | 0 | 0 | 109.7 | S1580 P1585 | S1580-Q1583 PolarHBondContact O-N 2.99Å; Q1583-P1585 VanDerWaalsContact O-CD 3.27Å; Q1583-P1585 WeakPolarHBondContact O-CD 3.38Å |
| 1584 | D | 44.7 | Very low | 40.2 | Very low | 100 Ų | 100 | 79.8 Ų | 79.8 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | trans | -51 | 108.3 | -166.4 | -178.1 | -1.9 | 0 | 0 | 0 | 112.3 | A1586 H1587 A1588 | D1584-A1586 PolarHBondContact O-N 3.29Å; D1584-A1586 WeakPolarHBondContact OD1-CB 3.18Å; D1584-A1586 PolarHBondContact OD1-N 3.04Å; D1584-H1587 PolarHBondContact O-N 3.14Å; D1584-A1588 PolarHBondContact O-N 3.22Å; D1584-A1588 VanDerWaalsContact O-N 3.12Å | ||
| 1585 | P | 39 | Very low | 40.6 | Very low | 61 Ų | 61 | 80.5 Ų | 80.5 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.4 | -25.7 | -175.2 | 28.6 | -34.7 | 0 | 0 | 0 | 111.4 | Q1583 L1589 | Q1583-P1585 VanDerWaalsContact O-CD 3.27Å; Q1583-P1585 WeakPolarHBondContact O-CD 3.38Å; P1585-L1589 WeakPolarHBondContact O-CB 3.32Å; P1585-L1589 PolarHBondContact O-N 2.93Å |
| 1586 | A | 38.8 | Very low | 40.9 | Very low | 34 Ų | 34 | 80.2 Ų | 80.2 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1508 D1584 A1590 | E1508-A1586 HydrophobicContact CG-CB 4.18Å; D1584-A1586 PolarHBondContact O-N 3.29Å; D1584-A1586 WeakPolarHBondContact OD1-CB 3.18Å; D1584-A1586 PolarHBondContact OD1-N 3.04Å; A1586-A1590 WeakPolarHBondContact O-CB 3.26Å; A1586-A1590 PolarHBondContact O-N 3.25Å |
| 1587 | H | 47.9 | Very low | 41.1 | Very low | 151 Ų | 151 | 74.6 Ų | 74.6 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -77.8 | -43.2 | -178.3 | -130.1 | 45.2 | 0 | 0 | 0 | 112.4 | D1584 L1589 A1590 S1591 | D1584-H1587 PolarHBondContact O-N 3.14Å; H1587-L1589 VanDerWaalsContact C-N 3.34Å; H1587-L1589 PolarHBondContact O-N 2.87Å; H1587-A1590 PolarHBondContact O-N 2.95Å; H1587-S1591 PolarHBondContact O-N 2.94Å |
| 1588 | A | 42.7 | Very low | 40.9 | Very low | 40 Ų | 40 | 75.6 Ų | 75.6 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1584 A1592 | D1584-A1588 PolarHBondContact O-N 3.22Å; D1584-A1588 VanDerWaalsContact O-N 3.12Å; A1588-A1592 WeakPolarHBondContact O-CB 3.43Å; A1588-A1592 PolarHBondContact O-N 2.63Å |
| 1589 | L | 45.2 | Very low | 40.7 | Very low | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.058 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.4 | -158.9 | 83.3 | 0 | 0 | 0 | 111.2 | L1509 A1512 L1534 P1585 H1587 S1591 A1592 L1593 | L1509-L1589 HydrophobicContact CD1-CD1 3.6Å; L1509-L1589 HydrophobicContact CD1-CD2 3.71Å; L1509-L1589 HydrophobicContact CD1-CG 4.27Å; A1512-L1589 HydrophobicContact CB-CD2 3.69Å; L1534-L1589 HydrophobicContact CB-CD1 4.13Å; L1534-L1589 HydrophobicContact CD2-CD1 3.55Å; L1534-L1589 HydrophobicContact CD2-CG 4.26Å; L1534-L1589 HydrophobicContact CG-CD1 4.32Å; P1585-L1589 WeakPolarHBondContact O-CB 3.32Å; P1585-L1589 PolarHBondContact O-N 2.93Å; H1587-L1589 VanDerWaalsContact C-N 3.34Å; H1587-L1589 PolarHBondContact O-N 2.87Å; L1589-S1591 VanDerWaalsContact C-N 3.33Å; L1589-S1591 PolarHBondContact O-N 3Å; L1589-A1592 PolarHBondContact O-N 3.07Å; L1589-L1593 HydrophobicContact CD2-CD1 3.89Å; L1589-L1593 HydrophobicContact CG-CD1 3.76Å; L1589-L1593 HydrophobicContact CG-CG 4.08Å; L1589-L1593 WeakPolarHBondContact O-CB 3.08Å; L1589-L1593 WeakPolarHBondContact O-CD1 3.31Å; L1589-L1593 WeakPolarHBondContact O-CG 3.45Å; L1589-L1593 PolarHBondContact O-N 2.85Å |
| 1590 | A | 44.2 | Very low | 40.2 | Very low | 52 Ų | 52 | 74.8 Ų | 74.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1586 H1587 S1594 | A1586-A1590 WeakPolarHBondContact O-CB 3.26Å; A1586-A1590 PolarHBondContact O-N 3.25Å; H1587-A1590 PolarHBondContact O-N 2.95Å; A1590-S1594 PolarHBondContact O-N 3.29Å; A1590-S1594 PolarHBondContact O-OG 2.96Å |
| 1591 | S | 44.3 | Very low | 39.8 | Very low | 73 Ų | 73 | 78.5 Ų | 78.5 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.6 | -40 | 176 | 174.9 | 0 | 0 | 0 | 0 | 113 | H1587 L1589 L1593 S1594 T1595 | H1587-S1591 PolarHBondContact O-N 2.94Å; L1589-S1591 VanDerWaalsContact C-N 3.33Å; L1589-S1591 PolarHBondContact O-N 3Å; S1591-L1593 VanDerWaalsContact C-N 3.28Å; S1591-L1593 PolarHBondContact O-N 3.31Å; S1591-S1594 PolarHBondContact O-N 2.85Å; S1591-S1594 PolarHBondContact O-OG 3.33Å; S1591-T1595 WeakPolarHBondContact O-CB 3.18Å; S1591-T1595 PolarHBondContact O-N 2.78Å; S1591-T1595 VanDerWaalsContact O-N 3.1Å; S1591-T1595 PolarHBondContact O-OG1 3.13Å |
| 1592 | A | 42.9 | Very low | 39.4 | Very low | 5 Ų | 5 | 83.7 Ų | 83.7 | 4% | 0.041 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1577 I1579 A1588 L1589 T1595 L1596 | L1577-A1592 HydrophobicContact CD2-CB 4.13Å; I1579-A1592 HydrophobicContact CD1-CB 4.09Å; A1588-A1592 WeakPolarHBondContact O-CB 3.43Å; A1588-A1592 PolarHBondContact O-N 2.63Å; L1589-A1592 PolarHBondContact O-N 3.07Å; A1592-T1595 PolarHBondContact O-N 2.98Å; A1592-L1596 WeakPolarHBondContact O-CB 3.41Å; A1592-L1596 VanDerWaalsContact O-CG 3.29Å; A1592-L1596 WeakPolarHBondContact O-CG 3.38Å; A1592-L1596 PolarHBondContact O-N 3.37Å |
| 1593 | L | 44 | Very low | 38.9 | Very low | 15 Ų | 15 | 83.9 Ų | 83.9 | 8% | 0.079 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 176.9 | -75 | 167.8 | 0 | 0 | 0 | 112.1 | H1516 L1534 L1589 S1591 T1595 L1596 F1597 | H1516-L1593 WeakPolarHBondContact NE2-CD1 3.45Å; L1534-L1593 HydrophobicContact CD1-CD2 3.59Å; L1534-L1593 HydrophobicContact CD2-CD2 3.93Å; L1534-L1593 HydrophobicContact CD2-CG 4.21Å; L1534-L1593 HydrophobicContact CG-CD2 4.42Å; L1589-L1593 HydrophobicContact CD2-CD1 3.89Å; L1589-L1593 HydrophobicContact CG-CD1 3.76Å; L1589-L1593 HydrophobicContact CG-CG 4.08Å; L1589-L1593 WeakPolarHBondContact O-CB 3.08Å; L1589-L1593 WeakPolarHBondContact O-CD1 3.31Å; L1589-L1593 WeakPolarHBondContact O-CG 3.45Å; L1589-L1593 PolarHBondContact O-N 2.85Å; S1591-L1593 VanDerWaalsContact C-N 3.28Å; S1591-L1593 PolarHBondContact O-N 3.31Å; L1593-T1595 PolarHBondContact O-N 3.12Å; L1593-L1596 PolarHBondContact O-N 3.22Å; L1593-F1597 HydrophobicContact CB-CD2 4.48Å; L1593-F1597 HydrophobicContact CD2-CD2 3.7Å; L1593-F1597 HydrophobicContact CD2-CE2 3.58Å; L1593-F1597 WeakPolarHBondContact O-CB 3.32Å; L1593-F1597 WeakPolarHBondContact O-CD2 3.36Å; L1593-F1597 PolarHBondContact O-N 2.96Å |
| 1594 | S | 47 | Very low | 38.2 | Very low | 66 Ų | 66 | 81.6 Ų | 81.6 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 174.1 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | A1590 S1591 C1598 | A1590-S1594 PolarHBondContact O-N 3.29Å; A1590-S1594 PolarHBondContact O-OG 2.96Å; S1591-S1594 PolarHBondContact O-N 2.85Å; S1591-S1594 PolarHBondContact O-OG 3.33Å; S1594-C1598 VanDerWaalsContact O-CB 3.25Å; S1594-C1598 WeakPolarHBondContact O-CB 3.48Å; S1594-C1598 PolarHBondContact O-N 2.83Å; S1594-C1598 VanDerWaalsContact O-N 3.08Å |
| 1595 | T | 42.3 | Very low | 37.5 | Very low | 99 Ų | 99 | 81.2 Ų | 81.2 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.1 | -32.6 | 179.8 | -44.6 | 0 | 0 | 0 | 0 | 113.8 | S1591 A1592 L1593 | S1591-T1595 WeakPolarHBondContact O-CB 3.18Å; S1591-T1595 PolarHBondContact O-N 2.78Å; S1591-T1595 VanDerWaalsContact O-N 3.1Å; S1591-T1595 PolarHBondContact O-OG1 3.13Å; A1592-T1595 PolarHBondContact O-N 2.98Å; L1593-T1595 PolarHBondContact O-N 3.12Å |
| 1596 | L | 37.9 | Very low | 37 | Very low | 72 Ų | 72 | 88.4 Ų | 88.4 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -88.8 | -18.7 | 180 | -75.5 | 167.2 | 0 | 0 | 0 | 113.9 | L1534 L1577 A1592 L1593 | L1534-L1596 HydrophobicContact CD2-CD1 4.18Å; L1577-L1596 HydrophobicContact CD1-CD1 3.98Å; L1577-L1596 HydrophobicContact CD1-CD2 4.22Å; L1577-L1596 HydrophobicContact CD1-CG 4.3Å; A1592-L1596 WeakPolarHBondContact O-CB 3.41Å; A1592-L1596 VanDerWaalsContact O-CG 3.29Å; A1592-L1596 WeakPolarHBondContact O-CG 3.38Å; A1592-L1596 PolarHBondContact O-N 3.37Å; L1593-L1596 PolarHBondContact O-N 3.22Å |
| 1597 | F | 39.8 | Very low | 36.6 | Very low | 82 Ų | 82 | 93.8 Ų | 93.8 | 36% | 0.36 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -114.4 | -1.4 | -178.3 | -67.5 | -76.4 | 0 | 0 | 0 | 114.5 | P1526 L1534 L1593 | P1526-F1597 HydrophobicContact CB-CE1 3.93Å; P1526-F1597 HydrophobicContact CB-CE2 4.1Å; P1526-F1597 HydrophobicContact CB-CZ 3.43Å; P1526-F1597 VanDerWaalsContact CB-CZ 3.43Å; L1534-F1597 HydrophobicContact CD1-CE2 4.33Å; L1593-F1597 HydrophobicContact CB-CD2 4.48Å; L1593-F1597 HydrophobicContact CD2-CD2 3.7Å; L1593-F1597 HydrophobicContact CD2-CE2 3.58Å; L1593-F1597 WeakPolarHBondContact O-CB 3.32Å; L1593-F1597 WeakPolarHBondContact O-CD2 3.36Å; L1593-F1597 PolarHBondContact O-N 2.96Å |
| 1598 | C | 29.5 | Very low | 35.6 | Very low | 94 Ų | 94 | 97.2 Ų | 97.2 | 64% | 0.635 | 55% | 0.55 | S | S | * | * | trans | -119.8 | 99.6 | 165.2 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | S1594 | S1594-C1598 VanDerWaalsContact O-CB 3.25Å; S1594-C1598 WeakPolarHBondContact O-CB 3.48Å; S1594-C1598 PolarHBondContact O-N 2.83Å; S1594-C1598 VanDerWaalsContact O-N 3.08Å | ||
| 1599 | G | 28.4 | Very low | 35 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | trans | -78.3 | 113.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1600 | T | 29.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 34.9 | 111 | 147.9 | 56.2 | 0 | 0 | 0 | 0 | 117 | ||
| 1601 | D | 27.4 | Very low | 33.9 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | cis | -149.6 | 174.6 | 17.8 | -69.2 | -54.5 | 0 | 0 | 0 | 114 | ||||
| 1602 | E | 30.3 | Very low | 33.3 | Very low | 180 Ų | 180 | 115.3 Ų | 115.3 | 84% | 0.841 | 62% | 0.623 | S | S | * | * | trans | -11.3 | 137.6 | 151.2 | -59.2 | 167.3 | 169.4 | 0 | 0 | 114.8 | ||||
| 1603 | D | 30.1 | Very low | 32.8 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 84% | 0.84 | 66% | 0.662 | S | S | * | * | -146.3 | 171.2 | 50.3 | -140.3 | -25.1 | 0 | 0 | 0 | 114.4 | |||||
| 1604 | S | 27.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | trans | -137.2 | 139.1 | -179.9 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1605 | S | 28.3 | Very low | 32 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | 156.6 | 158 | 134.9 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1606 | Y | 28.4 | Very low | 31.8 | Very low | 211 Ų | 211 | 132 Ų | 132 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | trans | 61.3 | 151.4 | 159.6 | -59.3 | -59.1 | 0 | 0 | 0 | 120 | ||||
| 1607 | D | 30.7 | Very low | 31.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | cis | -156.7 | 171.3 | -33.8 | -152.9 | -16.3 | 0 | 0 | 0 | 108.9 | ||||
| 1608 | Y | 27.3 | Very low | 31.4 | Very low | 223 Ų | 223 | 137.7 Ų | 137.7 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | trans | -117 | 98.4 | -165.8 | -161.9 | -79.6 | 0 | 0 | 0 | 114.4 | ||||
| 1609 | S | 29.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -161.1 | 151.3 | 160.5 | 58.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1610 | D | 32.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 57% | 0.572 | 76% | 0.755 | S | S | * | * | cis | -167.4 | 165.9 | 43.7 | -173.7 | 14.5 | 0 | 0 | 0 | 111.5 | ||||
| 1611 | R | 33.9 | Very low | 31.9 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 64.5 | 114.3 | 172.1 | -71.2 | 155.4 | -119.5 | -176.5 | 3.4 | 117.7 | ||||
| 1612 | N | 31.9 | Very low | 32.2 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | 85.5 | 112.7 | 56.2 | -69.4 | -7.8 | 0 | 0 | 0 | 114.3 | |||||
| 1613 | I | 33.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | -177.1 | 144.9 | 126.9 | -92.8 | 155.8 | 0 | 0 | 0 | 108.5 | |||||
| 1614 | D | 33.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -91.7 | 161.2 | -153.7 | -59.3 | -83.3 | 0 | 0 | 0 | 117.1 | ||||
| 1615 | P | 40.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -101.6 | -172.8 | 177.4 | 42.1 | -36.4 | 0 | 0 | 0 | 113.1 | ||||
| 1616 | P | 38.4 | Very low | 32.3 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | trans | -124.1 | 128.7 | 141.4 | 33.8 | -23.8 | 0 | 0 | 0 | 113.4 | ||||
| 1617 | D | 35.1 | Very low | 32.4 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | 61.4 | 141.4 | 125.8 | -45 | -35 | 0 | 0 | 0 | 120.4 | |||||
| 1618 | D | 34.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | cis | -158.4 | 174.1 | 24.7 | -157.1 | -12.8 | 0 | 0 | 0 | 112.8 | ||||
| 1619 | F | 34.4 | Very low | 32.5 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 74.6 | 75 | 165.7 | -66.3 | -69.6 | 0 | 0 | 0 | 122.1 | ||||
| 1620 | S | 32.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | 64.3 | 127.9 | 117.8 | 66.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 1621 | A | 29.9 | Very low | 32.4 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -100.8 | -170 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1622 | P | 35.3 | Very low | 32.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -134 | 178.4 | 114.2 | 36.8 | -26.5 | 0 | 0 | 0 | 113.5 | |||||
| 1623 | S | 29.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 159.9 | -164.6 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1624 | M | 29.4 | Very low | 31.9 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -141.3 | 121.8 | 161.5 | -79.8 | -179.4 | 157.6 | 0 | 0 | 106.7 | ||||
| 1625 | Q | 28.1 | Very low | 31.8 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | 64.3 | 126.5 | 53.1 | -68.4 | -172.5 | -17.2 | 0 | 0 | 113 | |||||
| 1626 | F | 29.4 | Very low | 31.4 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -135.2 | 179.7 | 0.6 | -74.6 | -72.8 | 0 | 0 | 0 | 109.2 | ||||
| 1627 | G | 31 | Very low | 30.9 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | -179.5 | -164 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1628 | A | 27.7 | Very low | 30.5 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -153.9 | 165 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1629 | I | 32.4 | Very low | 30.1 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -166.3 | 147.6 | 149.7 | -102 | 152.9 | 0 | 0 | 0 | 109.6 | ||||
| 1630 | S | 28.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -131.5 | 153.2 | 177 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1631 | R | 32.3 | Very low | 29.7 | Very low | 248 Ų | 248 | 131.4 Ų | 131.4 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -162.4 | 145.3 | 152.3 | -111.6 | 162.9 | -162.9 | -164.9 | 2.7 | 112.7 | ||||
| 1632 | T | 28.9 | Very low | 29.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -102.2 | 151.7 | -178.1 | 43.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1633 | A | 32.1 | Very low | 29.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -155.9 | 142.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1634 | T | 27.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -96.1 | 160.6 | 176.1 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1635 | V | 32 | Very low | 29.4 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | 168.4 | 132.7 | 125 | 155.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1636 | N | 32.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | trans | 11.2 | 128.6 | 158.7 | -61.2 | 44.7 | 0 | 0 | 0 | 123.5 | ||||
| 1637 | E | 26.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | 60.4 | 111.1 | 118.9 | -56.9 | 175.5 | 123.9 | 0 | 0 | 122.3 | |||||
| 1638 | S | 26.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 93.5 | 122.6 | 119 | 77.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1639 | S | 26.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 87.9 | 145.9 | 134.2 | 83.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1640 | I | 29.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | 70.6 | 134.2 | 161.2 | -55.1 | 162.5 | 0 | 0 | 0 | 117.1 | ||||
| 1641 | G | 29.1 | Very low | 29.6 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 135.8 | 80.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1642 | S | 26.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 140.2 | 170.4 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1643 | G | 30.3 | Very low | 29.3 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -154.7 | 99.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1644 | H | 29.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 135 Ų | 135 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -44.9 | 146 | 174.9 | -88.8 | -95.9 | 0 | 0 | 0 | 118.6 | ||||
| 1645 | F | 30.9 | Very low | 29.3 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | -176.9 | 98.7 | 137.2 | -101.3 | -81.2 | 0 | 0 | 0 | 106.7 | ||||
| 1646 | S | 31.5 | Very low | 29.3 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | 56.1 | 140.4 | 83.5 | 78.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1647 | E | 30.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -172.7 | 142.4 | -6.5 | -129 | -158.4 | 147.1 | 0 | 0 | 108.9 | ||||
| 1648 | T | 31.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -169.6 | 102.4 | 143.7 | 17.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1649 | R | 30.5 | Very low | 29.4 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | 30.3 | 122.7 | 140.5 | -58.9 | 176.4 | -173.2 | -179.6 | 1.5 | 120.1 | ||||
| 1650 | L | 28.2 | Very low | 29.4 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | 88.8 | 114.9 | 50.2 | -81.4 | 167.5 | 0 | 0 | 0 | 116 | |||||
| 1651 | V | 28.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 147.1 | 130.2 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1652 | N | 27.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -145.8 | 151.8 | -169.9 | -159.8 | 21.5 | 0 | 0 | 0 | 111.2 | ||||
| 1653 | C | 26.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -167 | 150.4 | 167.1 | -110.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1654 | S | 29.7 | Very low | 29.6 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -151.6 | 177 | -166.5 | 63 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1655 | S | 31.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | 72.5 | 109.7 | 149.7 | 45.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1656 | E | 31.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | 97.9 | 147.7 | 118.1 | -72.4 | 172.4 | 163.4 | 0 | 0 | 124 | |||||
| 1657 | D | 30.4 | Very low | 29.7 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 105 | 145.7 | 147 | -117.8 | -19.2 | 0 | 0 | 0 | 123.7 | ||||
| 1658 | V | 31.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 77 | 136.1 | 174.7 | -166.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1659 | S | 25.4 | Very low | 29.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -141 | 161.8 | -179.1 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1660 | L | 27.6 | Very low | 29.5 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 172.6 | 112.4 | 141.6 | -94 | 161 | 0 | 0 | 0 | 114.9 | ||||
| 1661 | K | 28.6 | Very low | 29.4 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 73% | 0.726 | 77% | 0.769 | S | S | * | * | trans | 57.1 | 118 | 139.1 | -72.6 | -179.2 | 176.7 | -172 | 0 | 124.6 | ||||
| 1662 | Q | 28.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | 70.3 | 105.9 | 121.9 | -66.2 | -177.7 | -90 | 0 | 0 | 121.3 | |||||
| 1663 | N | 30.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | -170.3 | 121.7 | 89.6 | -100.8 | 8.3 | 0 | 0 | 0 | 113.7 | |||||
| 1664 | D | 31.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | 59 | 136.2 | 143.7 | -48.4 | -23.6 | 0 | 0 | 0 | 124.2 | ||||
| 1665 | N | 33.5 | Very low | 29.4 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 65 | 98 | 169.6 | -48.5 | -31.7 | 0 | 0 | 0 | 116.6 | ||||
| 1666 | G | 31.4 | Very low | 29.2 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | 88.1 | 135.5 | 6.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1667 | I | 29.4 | Very low | 28.9 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | cis | -150.8 | 144.8 | 2.8 | -79.5 | 167.8 | 0 | 0 | 0 | 104.7 | ||||
| 1668 | A | 31.3 | Very low | 28.7 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | -164.8 | 152.7 | 64.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1669 | L | 28.1 | Very low | 28.4 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 23.5 | 151.2 | 144.7 | -72.7 | 86.4 | 0 | 0 | 0 | 122.9 | ||||
| 1670 | S | 27.7 | Very low | 28.5 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | cis | 176 | 167 | -39.5 | 44.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1671 | E | 27.2 | Very low | 28.6 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 136.2 | 175.3 | -50.7 | -164.5 | 150.7 | 0 | 0 | 116 | ||||
| 1672 | V | 31.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | cis | -123.7 | 119.9 | -5.8 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | C1674 | V1672-C1674 VanDerWaalsContact C-N 3.35Å; V1672-C1674 HydrophobicContact CG1-CB 4.12Å; V1672-C1674 PolarHBondContact O-N 3.38Å; V1672-C1674 VanDerWaalsContact O-N 3.08Å | ||
| 1673 | Q | 26.4 | Very low | 28.6 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -87.5 | 65 | -178.2 | -164.2 | 176.5 | 15.5 | 0 | 0 | 112.3 | ||||
| 1674 | C | 25.5 | Very low | 28.5 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | trans | -148.4 | 84.6 | -179.9 | -163.5 | 0 | 0 | 0 | 0 | 113.6 | V1672 | V1672-C1674 VanDerWaalsContact C-N 3.35Å; V1672-C1674 HydrophobicContact CG1-CB 4.12Å; V1672-C1674 PolarHBondContact O-N 3.38Å; V1672-C1674 VanDerWaalsContact O-N 3.08Å | ||
| 1675 | L | 27.8 | Very low | 28.4 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -177.9 | -8 | 144.3 | -103.7 | 164.8 | 0 | 0 | 0 | 115.1 | R1677 | L1675-R1677 PolarHBondContact O-N 3.1Š|
| 1676 | L | 26.6 | Very low | 28.3 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -71.8 | 68.4 | 166.1 | -79.6 | 174.2 | 0 | 0 | 0 | 111.6 | ||||
| 1677 | R | 25.2 | Very low | 28.1 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -156.2 | 36 | 172.8 | -123.2 | -176.4 | -159 | -155.7 | 7.3 | 116.2 | L1675 | L1675-R1677 PolarHBondContact O-N 3.1Š| ||
| 1678 | L | 26.2 | Very low | 28.1 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -135.6 | 147 | 161.9 | -73.9 | 177.5 | 0 | 0 | 0 | 110.6 | ||
| 1679 | C | 27 | Very low | 28 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 75 | 41.4 | 171.2 | -58.5 | 0 | 0 | 0 | 0 | 119 | ||
| 1680 | E | 26.9 | Very low | 28 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -142.2 | 149.6 | 142.5 | -120.6 | -168 | -155.4 | 0 | 0 | 108.7 | ||
| 1681 | P | 29.3 | Very low | 28.2 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | -128.6 | 115.1 | -71.9 | 35.3 | -23 | 0 | 0 | 0 | 113.1 | |||||
| 1682 | D | 29.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -108.2 | 112.7 | 174.3 | -113.6 | -45.3 | 0 | 0 | 0 | 112.3 | ||||
| 1683 | S | 27.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 115.4 | 178.5 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1684 | N | 28.4 | Very low | 28.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -148.5 | 156.6 | 168.6 | -99.7 | -57.7 | 0 | 0 | 0 | 111.1 | ||||
| 1685 | L | 29 | Very low | 28.7 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 76 | 96.8 | -172.8 | -70.8 | 81.7 | 0 | 0 | 0 | 118 | ||
| 1686 | A | 30.9 | Very low | 28.7 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 53.7 | 112.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1687 | V | 27.4 | Very low | 29.1 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | 57.4 | 128.2 | 75 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1688 | P | 30.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -127 | -175.6 | 25.2 | 18.9 | 7 | 0 | 0 | 0 | 114.4 | ||||
| 1689 | A | 28.3 | Very low | 29.5 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -175 | -176.8 | -27.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1690 | F | 29.6 | Very low | 29.4 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | 79.8 | 110.1 | 179.2 | -68.2 | -89.3 | 0 | 0 | 0 | 115.3 | ||||
| 1691 | V | 30.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | 86.6 | 121.6 | 73.3 | 155.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1692 | D | 30.5 | Very low | 29.6 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | cis | -150.4 | -175.1 | 8.4 | -122.5 | -11.8 | 0 | 0 | 0 | 115.4 | ||||
| 1693 | S | 27.8 | Very low | 29.5 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -57.2 | 175.4 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1694 | E | 33.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | cis | -152.4 | 166.4 | 35.6 | -60.5 | 178.4 | 119.4 | 0 | 0 | 115.3 | ||||
| 1695 | S | 31.2 | Very low | 29.4 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 44.3 | 119.5 | 152.2 | 58.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1696 | F | 25.9 | Very low | 29.2 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 89% | 0.886 | 73% | 0.729 | S | S | * | * | cis | 67.6 | 155.5 | 18.5 | -105.2 | -37.9 | 0 | 0 | 0 | 115.7 | ||||
| 1697 | P | 35.8 | Very low | 29.3 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 62% | 0.617 | 73% | 0.728 | S | S | * | * | -114.5 | -161.1 | -109.3 | 41.7 | -30.4 | 0 | 0 | 0 | 113.4 | |||||
| 1698 | L | 29.1 | Very low | 29.2 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | 165.9 | 154.9 | 122.5 | -84.8 | 165.7 | 0 | 0 | 0 | 113.4 | |||||
| 1699 | I | 30.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | trans | 42.5 | 113.3 | 142.2 | -65 | 166.8 | 0 | 0 | 0 | 117.5 | ||||
| 1700 | S | 25.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | 71.4 | 153.1 | 59.8 | -162.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1701 | N | 28.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 57% | 0.572 | 73% | 0.725 | S | S | * | * | trans | 77.5 | 102.3 | 178.2 | -55.8 | -36.1 | 0 | 0 | 0 | 119.3 | I1703 | N1701-I1703 HydrophobicContact CB-CD1 3.86Å; N1701-I1703 HydrophobicContact CB-CG1 4.41Å | ||
| 1702 | H | 33.1 | Very low | 29.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | trans | -170.6 | 95.7 | 133.7 | -95 | -60.4 | 0 | 0 | 0 | 106.2 | ||||
| 1703 | I | 27.1 | Very low | 29.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 54% | 0.544 | 72% | 0.723 | S | S | . | * | cis | 74.7 | 103.4 | 39.4 | -54.4 | -175.3 | 0 | 0 | 0 | 113.5 | N1701 | N1701-I1703 HydrophobicContact CB-CD1 3.86Å; N1701-I1703 HydrophobicContact CB-CG1 4.41Å | ||
| 1704 | M | 25.2 | Very low | 29.4 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | 71.1 | 158.5 | 159.1 | -66.8 | 173.8 | -172.9 | 0 | 0 | 116.5 | ||||
| 1705 | K | 28.1 | Very low | 29.2 | Very low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | cis | -158.3 | 133.9 | 23.1 | -149.2 | 165.3 | -174 | -178.5 | 0 | 112.5 | ||||
| 1706 | F | 25.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | trans | 45.2 | 155.4 | 140.2 | -70.4 | -111.6 | 0 | 0 | 0 | 120.5 | T1708 | F1706-T1708 HydrophobicContact CD1-CG2 4.39Š| ||
| 1707 | D | 32 | Very low | 29.1 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | cis | -124.8 | 141 | 10.2 | -76.8 | -48.9 | 0 | 0 | 0 | 108.6 | ||||
| 1708 | T | 26.7 | Very low | 28.9 | Very low | 103 Ų | 103 | 142 Ų | 142 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | 79 | 155.8 | 65.5 | 68.8 | 0 | 0 | 0 | 0 | 116.4 | F1706 | F1706-T1708 HydrophobicContact CD1-CG2 4.39Š| |||
| 1709 | D | 32.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 74.9 | 119.6 | -178.6 | -55.4 | -7.2 | 0 | 0 | 0 | 115.8 | ||||
| 1710 | E | 33.5 | Very low | 28.8 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | cis | -139.2 | 145.4 | -2.3 | -73.7 | -172.9 | 110 | 0 | 0 | 113.3 | ||||
| 1711 | C | 26.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 21.3 | 147.9 | 135.6 | -55.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1712 | T | 27.4 | Very low | 29.1 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -174.5 | 166.5 | -13.5 | 28.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1713 | N | 32.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 79.2 | 138.5 | 163.4 | -50 | -35.1 | 0 | 0 | 0 | 116.9 | ||||
| 1714 | F | 28.7 | Very low | 29 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | cis | -150.8 | 149.4 | -6.1 | -143.2 | -114.2 | 0 | 0 | 0 | 112.1 | ||||
| 1715 | E | 29 | Very low | 29.1 | Very low | 143 Ų | 143 | 150 Ų | 150 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | 15.5 | 125 | 158.3 | -62.9 | -165.5 | 153.7 | 0 | 0 | 121.9 | ||||
| 1716 | L | 26 | Very low | 29.2 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | 74.7 | 97.6 | 70.3 | -87 | 161.8 | 0 | 0 | 0 | 116.3 | |||||
| 1717 | S | 30.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | -166.5 | 141.1 | 127.1 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1718 | R | 30.6 | Very low | 29.3 | Very low | 216 Ų | 216 | 149.4 Ų | 149.4 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | 34 | 122.9 | 142.4 | -62.3 | 169.9 | -176.5 | 166.2 | 1.8 | 117.6 | ||||
| 1719 | T | 29.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | cis | 49.2 | 77.4 | 31.9 | 17.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1720 | R | 28.5 | Very low | 29.2 | Very low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -166.5 | 149.3 | 144.2 | -110.5 | 171.7 | -171.6 | -178.6 | 1 | 110.7 | ||||
| 1721 | N | 32.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 64.8 | 118.1 | 177.2 | -46.7 | 0.8 | 0 | 0 | 0 | 114.6 | ||||
| 1722 | V | 26.9 | Very low | 29.1 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | cis | 64.6 | 113.3 | -1.7 | -178.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1723 | I | 28.9 | Very low | 29.3 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | 75.7 | 79.9 | -179.2 | -52.1 | 160.2 | 0 | 0 | 0 | 113.6 | ||||
| 1724 | A | 28.8 | Very low | 29 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 100% | 1.455 | 84% | 0.842 | S | S | * | * | -138.3 | 0 | 126 | 0 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 1,724 of 1,724 residues in 1757 ms
(Link to these results)