| 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 | 54.5 | Low | 60.2 | Low | 213 Ų | 213 | 124.2 Ų | 124.2 | 100% | 1.049 | 61% | 0.61 | S | S | * | * | 0 | -26.1 | 0 | -72 | -173.3 | 169.3 | 0 | 0 | 113.7 | S3 R4 | M1-S3 PolarHBondContact O-N 2.97Å; M1-R4 PolarHBondContact O-N 2.97Å | |||
| 2 | L | 56.1 | Low | 60.2 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.8 | -36.6 | -179.8 | -147.7 | 91 | 0 | 0 | 0 | 115.3 | R4 L5 L6 | L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.18Å; L2-L5 WeakPolarHBondContact O-CB 3.4Å; L2-L5 PolarHBondContact O-N 3.14Å; L2-L6 HydrophobicContact CD2-CD1 4.12Å; L2-L6 HydrophobicContact CG-CD1 4.49Å; L2-L6 PolarHBondContact O-N 3.01Å |
| 3 | S | 64.4 | Low | 60.2 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.3 | -31.5 | -176.3 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | M1 L5 F7 | M1-S3 PolarHBondContact O-N 2.97Å; S3-L5 VanDerWaalsContact C-N 3.35Å; S3-F7 WeakPolarHBondContact O-CB 3.38Å; S3-F7 PolarHBondContact O-N 3.38Å |
| 4 | R | 56.2 | Low | 60.4 | Low | 210 Ų | 210 | 114.1 Ų | 114.1 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.8 | -39.2 | 174.5 | -81.6 | -177.4 | 151.2 | -166.5 | -6.3 | 111.2 | M1 L2 H8 | M1-R4 PolarHBondContact O-N 2.97Å; L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.18Å; R4-H8 WeakPolarHBondContact O-CB 3.1Å; R4-H8 PolarHBondContact O-N 3.46Å |
| 5 | L | 59 | Low | 60.3 | Low | 102 Ų | 102 | 110.8 Ų | 110.8 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -45.9 | 177.7 | -155.3 | 85.7 | 0 | 0 | 0 | 110.9 | L2 S3 H8 H9 | L2-L5 WeakPolarHBondContact O-CB 3.4Å; L2-L5 PolarHBondContact O-N 3.14Å; S3-L5 VanDerWaalsContact C-N 3.35Å; L5-H8 PolarHBondContact O-N 3.43Å; L5-H9 PolarHBondContact O-N 3.24Å; L5-H9 PolarHBondContact O-ND1 3.41Å |
| 6 | L | 63.7 | Low | 60.1 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.4 | -95.3 | 155.3 | 0 | 0 | 0 | 112.2 | L2 H8 H9 L10 | L2-L6 HydrophobicContact CD2-CD1 4.12Å; L2-L6 HydrophobicContact CG-CD1 4.49Å; L2-L6 PolarHBondContact O-N 3.01Å; L6-H8 VanDerWaalsContact C-N 3.32Å; L6-H8 PolarHBondContact O-N 3.45Å; L6-H9 PolarHBondContact O-N 3.4Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 2.76Å |
| 7 | F | 65.6 | Low | 60 | Low | 143 Ų | 143 | 103.3 Ų | 103.3 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 175.9 | -175.3 | -96.6 | 0 | 0 | 0 | 111.6 | S3 L10 L11 | S3-F7 WeakPolarHBondContact O-CB 3.38Å; S3-F7 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.5Å; F7-L11 HydrophobicContact CE1-CD2 4.49Å; F7-L11 VanDerWaalsContact O-CB 3.29Å; F7-L11 WeakPolarHBondContact O-CB 3.38Å; F7-L11 PolarHBondContact O-N 3.41Å |
| 8 | H | 55.4 | Low | 59.6 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.3 | -158.4 | 74.3 | 0 | 0 | 0 | 111.7 | R4 L5 L6 L11 T12 | R4-H8 WeakPolarHBondContact O-CB 3.1Å; R4-H8 PolarHBondContact O-N 3.46Å; L5-H8 PolarHBondContact O-N 3.43Å; L6-H8 VanDerWaalsContact C-N 3.32Å; L6-H8 PolarHBondContact O-N 3.45Å; H8-L11 PolarHBondContact O-N 2.62Å; H8-T12 WeakPolarHBondContact O-CB 3.35Å; H8-T12 PolarHBondContact O-N 3.49Å; H8-T12 PolarHBondContact O-OG1 3.37Å |
| 9 | H | 58.4 | Low | 59.1 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 40% | 0.398 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.8 | -76.8 | 48.4 | 0 | 0 | 0 | 111.8 | L5 L6 T12 L13 | L5-H9 PolarHBondContact O-N 3.24Å; L5-H9 PolarHBondContact O-ND1 3.41Å; L6-H9 PolarHBondContact O-N 3.4Å; H9-T12 PolarHBondContact O-N 2.86Å; H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.46Å; H9-L13 PolarHBondContact O-N 3.46Å |
| 10 | L | 64.9 | Low | 58.6 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 176.1 | -72 | 171.2 | 0 | 0 | 0 | 111.7 | L6 F7 L13 L14 | L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 2.76Å; F7-L10 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 2.93Å; L10-L14 PolarHBondContact O-N 2.68Å |
| 11 | L | 64.4 | Low | 58 | Low | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 176.3 | -172.2 | 68.2 | 0 | 0 | 0 | 111.2 | F7 H8 L13 L14 V15 | F7-L11 HydrophobicContact CE1-CD2 4.49Å; F7-L11 VanDerWaalsContact O-CB 3.29Å; F7-L11 WeakPolarHBondContact O-CB 3.38Å; F7-L11 PolarHBondContact O-N 3.41Å; H8-L11 PolarHBondContact O-N 2.62Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.17Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.83Å |
| 12 | T | 60.2 | Low | 57.5 | Low | 27 Ų | 27 | 97.5 Ų | 97.5 | 17% | 0.166 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.7 | -57 | 0 | 0 | 0 | 0 | 111.4 | H8 H9 V15 A16 F64 | H8-T12 WeakPolarHBondContact O-CB 3.35Å; H8-T12 PolarHBondContact O-N 3.49Å; H8-T12 PolarHBondContact O-OG1 3.37Å; H9-T12 PolarHBondContact O-N 2.86Å; T12-V15 PolarHBondContact O-N 3.35Å; T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.25Å; T12-F64 HydrophobicContact CG2-CD1 4.29Å; T12-F64 HydrophobicContact CG2-CD2 4.49Å; T12-F64 HydrophobicContact CG2-CE1 4.15Å; T12-F64 HydrophobicContact CG2-CE2 4.38Å; T12-F64 HydrophobicContact CG2-CG 4.45Å; T12-F64 HydrophobicContact CG2-CZ 4.21Å |
| 13 | L | 59.9 | Low | 56.9 | Low | 105 Ų | 105 | 94 Ų | 94 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 174.6 | -162.8 | 96.4 | 0 | 0 | 0 | 111 | H9 L10 L11 A16 I17 | H9-L13 VanDerWaalsContact O-CB 3.26Å; H9-L13 WeakPolarHBondContact O-CB 3.46Å; H9-L13 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 3.07Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.42Å; L13-A16 CarbonylContact O-C 3.58Å; L13-A16 PolarHBondContact O-N 3.28Å; L13-I17 HydrophobicContact CD2-CD1 3.77Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CD1 3.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 3.12Å |
| 14 | L | 62.8 | Low | 55.9 | Low | 100 Ų | 100 | 99.5 Ų | 99.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.5 | -172.6 | 75.9 | 0 | 0 | 0 | 110.7 | L10 L11 A16 I17 V18 | L10-L14 VanDerWaalsContact O-CB 3.28Å; L10-L14 WeakPolarHBondContact O-CB 2.93Å; L10-L14 PolarHBondContact O-N 2.68Å; L11-L14 PolarHBondContact O-N 3.17Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 2.74Å; L14-V18 HydrophobicContact CG-CG2 4.34Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.33Å |
| 15 | V | 58.5 | Low | 55.1 | Low | 64 Ų | 64 | 94.1 Ų | 94.1 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | L11 T12 I17 V18 C19 | L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.83Å; T12-V15 PolarHBondContact O-N 3.35Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.43Å; V15-V18 PolarHBondContact O-N 3.15Å; V15-C19 WeakPolarHBondContact O-CA 3.24Å; V15-C19 WeakPolarHBondContact O-CB 3.07Å; V15-C19 PolarHBondContact O-N 2.86Å; V15-C19 PolarHBondContact O-SG 2.87Å |
| 16 | A | 57.1 | Low | 54.4 | Low | 28 Ų | 28 | 91 Ų | 91 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T12 L13 L14 S20 | T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.19Å; T12-A16 PolarHBondContact O-N 3.25Å; L13-A16 CarbonylContact O-C 3.58Å; L13-A16 PolarHBondContact O-N 3.28Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.13Å; A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 PolarHBondContact O-OG 3.29Å |
| 17 | I | 58.9 | Low | 53.4 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.9 | -47 | 176 | -70 | 164.1 | 0 | 0 | 0 | 110.6 | L13 L14 V15 C19 S20 Q21 | L13-I17 HydrophobicContact CD2-CD1 3.77Å; L13-I17 HydrophobicContact CG-CD1 3.92Å; L13-I17 WeakPolarHBondContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CD1 3.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 3.12Å; L14-I17 PolarHBondContact O-N 2.74Å; V15-I17 VanDerWaalsContact C-N 3.34Å; V15-I17 PolarHBondContact O-N 3.43Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å; I17-S20 CarbonylContact O-C 3.59Å; I17-S20 PolarHBondContact O-N 3.27Å; I17-S20 VanDerWaalsContact O-N 3.12Å; I17-Q21 HydrophobicContact CG2-CG 3.93Å; I17-Q21 WeakPolarHBondContact O-CA 2.93Å; I17-Q21 WeakPolarHBondContact O-CB 3.28Å; I17-Q21 VanDerWaalsContact O-CG 3.23Å; I17-Q21 WeakPolarHBondContact O-CG 3.09Å; I17-Q21 PolarHBondContact O-N 3.39Å |
| 18 | V | 53.6 | Low | 52.4 | Low | 70 Ų | 70 | 84.5 Ų | 84.5 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 109.6 | L14 V15 Q21 H22 | L14-V18 HydrophobicContact CG-CG2 4.34Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.33Å; V15-V18 PolarHBondContact O-N 3.15Å; V18-Q21 PolarHBondContact O-N 3.21Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.42Å |
| 19 | C | 49.3 | Very low | 52 | Low | 53 Ų | 53 | 84.2 Ų | 84.2 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 170.4 | -74.9 | 0 | 0 | 0 | 0 | 109.8 | V15 I17 Q21 H22 L23 | V15-C19 WeakPolarHBondContact O-CA 3.24Å; V15-C19 WeakPolarHBondContact O-CB 3.07Å; V15-C19 PolarHBondContact O-N 2.86Å; V15-C19 PolarHBondContact O-SG 2.87Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å; C19-Q21 VanDerWaalsContact C-N 3.35Å; C19-Q21 PolarHBondContact O-N 3.35Å; C19-H22 CarbonylContact O-C 3.59Å; C19-H22 PolarHBondContact O-N 3.4Å; C19-L23 HydrophobicContact CB-CD1 3.88Å; C19-L23 VanDerWaalsContact O-CA 3.24Å; C19-L23 WeakPolarHBondContact O-CA 3.45Å; C19-L23 WeakPolarHBondContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CD1 3.47Å; C19-L23 WeakPolarHBondContact O-CG 3.42Å; C19-L23 PolarHBondContact O-N 3.36Å |
| 20 | S | 48.6 | Very low | 51.4 | Low | 76 Ų | 76 | 87 Ų | 87 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.1 | -26.5 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 114.5 | A16 I17 L23 R24 | A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.47Å; A16-S20 PolarHBondContact O-OG 3.29Å; I17-S20 CarbonylContact O-C 3.59Å; I17-S20 PolarHBondContact O-N 3.27Å; I17-S20 VanDerWaalsContact O-N 3.12Å; S20-L23 CarbonylContact O-C 3.5Å; S20-R24 PolarHBondContact O-N 3.1Å |
| 21 | Q | 46.2 | Very low | 50.3 | Low | 141 Ų | 141 | 86.7 Ų | 86.7 | 66% | 0.659 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -84.9 | -36.5 | 179.3 | -74.1 | -174.2 | -2.9 | 0 | 0 | 111.3 | I17 V18 C19 | I17-Q21 HydrophobicContact CG2-CG 3.93Å; I17-Q21 WeakPolarHBondContact O-CA 2.93Å; I17-Q21 WeakPolarHBondContact O-CB 3.28Å; I17-Q21 VanDerWaalsContact O-CG 3.23Å; I17-Q21 WeakPolarHBondContact O-CG 3.09Å; I17-Q21 PolarHBondContact O-N 3.39Å; V18-Q21 PolarHBondContact O-N 3.21Å; C19-Q21 VanDerWaalsContact C-N 3.35Å; C19-Q21 PolarHBondContact O-N 3.35Å |
| 22 | H | 44.4 | Very low | 49.3 | Very low | 164 Ų | 164 | 93.5 Ų | 93.5 | 76% | 0.759 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -79.1 | -23.5 | 166.9 | -79.8 | -81.9 | 0 | 0 | 0 | 112.7 | V18 C19 R24 | V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.42Å; C19-H22 CarbonylContact O-C 3.59Å; C19-H22 PolarHBondContact O-N 3.4Å; H22-R24 VanDerWaalsContact C-N 3.3Å |
| 23 | L | 42.7 | Very low | 48.6 | Very low | 59 Ų | 59 | 99.6 Ų | 99.6 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 43.9 | 165.7 | -72.5 | 124.3 | 0 | 0 | 0 | 110.4 | C19 S20 L25 F44 | C19-L23 HydrophobicContact CB-CD1 3.88Å; C19-L23 VanDerWaalsContact O-CA 3.24Å; C19-L23 WeakPolarHBondContact O-CA 3.45Å; C19-L23 WeakPolarHBondContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CD1 3.47Å; C19-L23 WeakPolarHBondContact O-CG 3.42Å; C19-L23 PolarHBondContact O-N 3.36Å; S20-L23 CarbonylContact O-C 3.5Å; L23-L25 PolarHBondContact O-N 3.37Å; L23-F44 HydrophobicContact CD1-CD2 3.95Å; L23-F44 HydrophobicContact CD1-CE2 4.09Å; L23-F44 HydrophobicContact CD1-CG 4.43Å; L23-F44 HydrophobicContact CD2-CD2 3.41Å; L23-F44 VanDerWaalsContact CD2-CD2 3.41Å; L23-F44 HydrophobicContact CD2-CE2 3.64Å; L23-F44 HydrophobicContact CD2-CG 4.47Å; L23-F44 HydrophobicContact CG-CD2 4.34Å; L23-F44 HydrophobicContact CG-CE2 4.41Å |
| 24 | R | 43.2 | Very low | 47.5 | Very low | 211 Ų | 211 | 101 Ų | 101 | 80% | 0.796 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -62.4 | 94.6 | 143 | -97.6 | -174.8 | 172.5 | 179.6 | -1.2 | 106 | S20 H22 | S20-R24 PolarHBondContact O-N 3.1Å; H22-R24 VanDerWaalsContact C-N 3.3Å |
| 25 | L | 39.4 | Very low | 47.2 | Very low | 96 Ų | 96 | 100 Ų | 100 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | S | Bend | trans | 77.8 | 151.6 | 177.4 | -58.8 | 113.7 | 0 | 0 | 0 | 114.6 | L23 A27 | L23-L25 PolarHBondContact O-N 3.37Å; L25-A27 PolarHBondContact O-N 3.48Å |
| 26 | P | 45.4 | Very low | 46.6 | Very low | 37 Ų | 37 | 103.1 Ų | 103.1 | 24% | 0.24 | 54% | 0.539 | C | S | . | . | trans | -58.5 | 92.4 | 159.5 | 27.5 | -32.1 | 0 | 0 | 0 | 105.7 | P28 | P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | A | 41.5 | Very low | 46.2 | Very low | 69 Ų | 69 | 108.7 Ų | 108.7 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | trans | -64.3 | 112.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 104.4 | L25 I29 | L25-A27 PolarHBondContact O-N 3.48Å; A27-I29 PolarHBondContact O-N 3.26Å | ||
| 28 | P | 45.5 | Very low | 45.6 | Very low | 34 Ų | 34 | 106.8 Ų | 106.8 | 22% | 0.221 | 56% | 0.555 | C | S | . | * | trans | -57 | 122.6 | 176.8 | 22.1 | -30.8 | 0 | 0 | 0 | 108.1 | P26 F30 E39 | P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.1Å; P28-F30 HydrophobicContact CB-CE1 4.44Å; P28-F30 HydrophobicContact CB-CE2 4.27Å; P28-F30 HydrophobicContact CB-CZ 4.12Å; P28-F30 HydrophobicContact CG-CE1 4.35Å; P28-F30 HydrophobicContact CG-CE2 3.71Å; P28-F30 HydrophobicContact CG-CZ 3.6Å; P28-F30 WeakPolarHBondContact O-CD2 3.42Å; P28-F30 PolarHBondContact O-N 2.82Å; P28-F30 VanDerWaalsContact O-N 3.14Å; P28-E39 HydrophobicContact CB-CG 3.53Å; P28-E39 WeakPolarHBondContact CB-OE1 3.17Å; P28-E39 WeakPolarHBondContact CG-OE1 3.37Å | ||
| 29 | I | 47.3 | Very low | 45.2 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 104.4 | 170.7 | -58.1 | 177.9 | 0 | 0 | 0 | 104.8 | A27 L31 Y40 | A27-I29 PolarHBondContact O-N 3.26Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 HydrophobicContact CG2-CD2 4.44Å; I29-L31 HydrophobicContact CG2-CG 4.15Å; I29-L31 PolarHBondContact O-N 3.29Å; I29-Y40 PolarHBondContact N-O 3.44Å |
| 30 | F | 45.4 | Very low | 45.1 | Very low | 146 Ų | 146 | 104.8 Ų | 104.8 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 87.4 | 174.1 | -63.1 | -79.1 | 0 | 0 | 0 | 109.3 | P28 R32 | P28-F30 HydrophobicContact CB-CE1 4.44Å; P28-F30 HydrophobicContact CB-CE2 4.27Å; P28-F30 HydrophobicContact CB-CZ 4.12Å; P28-F30 HydrophobicContact CG-CE1 4.35Å; P28-F30 HydrophobicContact CG-CE2 3.71Å; P28-F30 HydrophobicContact CG-CZ 3.6Å; P28-F30 WeakPolarHBondContact O-CD2 3.42Å; P28-F30 PolarHBondContact O-N 2.82Å; P28-F30 VanDerWaalsContact O-N 3.14Å; F30-R32 PolarHBondContact O-N 3.5Å |
| 31 | L | 42.6 | Very low | 45 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 96.5 | 164.4 | -69.8 | 171.9 | 0 | 0 | 0 | 107.7 | I29 R33 Y40 | I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 HydrophobicContact CG2-CD2 4.44Å; I29-L31 HydrophobicContact CG2-CG 4.15Å; I29-L31 PolarHBondContact O-N 3.29Å; L31-R33 PolarHBondContact O-N 2.81Å; L31-Y40 HydrophobicContact CB-CD2 3.81Å; L31-Y40 HydrophobicContact CB-CE2 3.66Å; L31-Y40 HydrophobicContact CD1-CD2 3.95Å; L31-Y40 HydrophobicContact CD1-CE2 3.94Å; L31-Y40 HydrophobicContact CD1-CG 4.28Å; L31-Y40 HydrophobicContact CG-CD2 4.2Å; L31-Y40 HydrophobicContact CG-CE2 4.33Å |
| 32 | R | 43.4 | Very low | 44.9 | Very low | 223 Ų | 223 | 96.2 Ų | 96.2 | 84% | 0.842 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 98.8 | 174.5 | -170.3 | 177.2 | -176.8 | -179.1 | 0.5 | 109 | F30 | F30-R32 PolarHBondContact O-N 3.5Å |
| 33 | R | 44 | Very low | 44.9 | Very low | 156 Ų | 156 | 92.4 Ų | 92.4 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.5 | 156.4 | -96.3 | -176 | -176.9 | 172.3 | 2 | 107.9 | L31 G35 E36 | L31-R33 PolarHBondContact O-N 2.81Å; R33-G35 PolarHBondContact O-N 3.24Å; R33-E36 PolarHBondContact O-N 3.45Å |
| 34 | P | 38.1 | Very low | 45 | Very low | 133 Ų | 133 | 95.2 Ų | 95.2 | 86% | 0.864 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 107.3 | 172.5 | 26.1 | -30.2 | 0 | 0 | 0 | 108.4 | ||
| 35 | G | 55.5 | Low | 45 | Very low | 81 Ų | 81 | 90.6 Ų | 90.6 | 84% | 0.835 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.3 | -18.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R33 | R33-G35 PolarHBondContact O-N 3.24Š|
| 36 | E | 47.1 | Very low | 45.2 | Very low | 128 Ų | 128 | 89.7 Ų | 89.7 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.3 | -179.6 | -73.7 | -177.2 | 148.9 | 0 | 0 | 111.2 | R33 V38 | R33-E36 PolarHBondContact O-N 3.45Å; E36-V38 HydrophobicContact CB-CG2 4.1Å; E36-V38 PolarHBondContact O-N 2.75Å |
| 37 | L | 48.2 | Very low | 45 | Very low | 145 Ų | 145 | 91.2 Ų | 91.2 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 94.9 | 167.9 | -74.7 | 162.7 | 0 | 0 | 0 | 107.9 | ||
| 38 | V | 46.6 | Very low | 45.3 | Very low | 26 Ų | 26 | 94.1 Ų | 94.1 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.1 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | E36 Y40 V72 | E36-V38 HydrophobicContact CB-CG2 4.1Å; E36-V38 PolarHBondContact O-N 2.75Å; V38-Y40 HydrophobicContact CB-CE2 3.97Å; V38-Y40 HydrophobicContact CG1-CD2 4.31Å; V38-Y40 HydrophobicContact CG1-CE2 3.8Å; V38-Y40 WeakPolarHBondContact O-CD2 3.14Å; V38-V72 HydrophobicContact CG1-CG1 3.72Å |
| 39 | E | 45.8 | Very low | 45.6 | Very low | 35 Ų | 35 | 95.7 Ų | 95.7 | 16% | 0.164 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.1 | 175.8 | -165.7 | 170.5 | 173.7 | 0 | 0 | 109.4 | P28 H41 F80 | P28-E39 HydrophobicContact CB-CG 3.53Å; P28-E39 WeakPolarHBondContact CB-OE1 3.17Å; P28-E39 WeakPolarHBondContact CG-OE1 3.37Å; E39-H41 IonicContact OE1-CE1 3.35Å; E39-H41 PolarHBondContact OE1-CE1 2.77Å; E39-H41 IonicContact OE1-NE2 3.62Å; E39-F80 VanDerWaalsContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CZ 3.45Å; E39-F80 WeakPolarHBondContact OE2-CE2 3.41Å |
| 40 | Y | 45.4 | Very low | 45.8 | Very low | 47 Ų | 47 | 98.2 Ų | 98.2 | 18% | 0.184 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.5 | 176.7 | -69.3 | -95.9 | 0 | 0 | 0 | 109.2 | I29 L31 V38 V72 | I29-Y40 PolarHBondContact N-O 3.44Å; L31-Y40 HydrophobicContact CB-CD2 3.81Å; L31-Y40 HydrophobicContact CB-CE2 3.66Å; L31-Y40 HydrophobicContact CD1-CD2 3.95Å; L31-Y40 HydrophobicContact CD1-CE2 3.94Å; L31-Y40 HydrophobicContact CD1-CG 4.28Å; L31-Y40 HydrophobicContact CG-CD2 4.2Å; L31-Y40 HydrophobicContact CG-CE2 4.33Å; V38-Y40 HydrophobicContact CB-CE2 3.97Å; V38-Y40 HydrophobicContact CG1-CD2 4.31Å; V38-Y40 HydrophobicContact CG1-CE2 3.8Å; V38-Y40 WeakPolarHBondContact O-CD2 3.14Å; Y40-V72 HydrophobicContact CD1-CG2 3.69Å; Y40-V72 HydrophobicContact CE1-CG1 4.47Å; Y40-V72 HydrophobicContact CE1-CG2 3.49Å; Y40-V72 VanDerWaalsContact CE1-CG2 3.49Å |
| 41 | H | 46.8 | Very low | 46 | Very low | 20 Ų | 20 | 93.2 Ų | 93.2 | 9% | 0.093 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.1 | 170.2 | -69 | -72.7 | 0 | 0 | 0 | 109.8 | E39 F43 A70 T71 F80 | E39-H41 IonicContact OE1-CE1 3.35Å; E39-H41 PolarHBondContact OE1-CE1 2.77Å; E39-H41 IonicContact OE1-NE2 3.62Å; H41-F43 HydrophobicContact CB-CD2 4.41Å; H41-F43 HydrophobicContact CB-CE2 3.7Å; H41-F43 HydrophobicContact CB-CZ 4.07Å; H41-A70 CarbonylContact O-C 3.07Å; H41-A70 WeakPolarHBondContact O-CA 3.43Å; H41-T71 PolarHBondContact N-O 2.84Å; H41-T71 PolarHBondContact O-N 3.25Å; H41-F80 AromaticContact CE1-CE2 3.51Å; H41-F80 AromaticContact CE1-CZ 3.65Å; H41-F80 AromaticContact NE2-CE2 3.47Å; H41-F80 WeakPolarHBondContact NE2-CE2 3.49Å |
| 42 | C | 44 | Very low | 46.5 | Very low | 17 Ų | 17 | 93 Ų | 93 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.3 | 170.6 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | F44 F68 | C42-F44 HydrophobicContact CB-CE2 4.37Å; C42-F68 HydrophobicContact CB-CD2 4.49Å; C42-F68 HydrophobicContact CB-CE2 3.67Å; C42-F68 HydrophobicContact CB-CZ 4.19Å; C42-F68 WeakPolarHBondContact SG-CE2 3.34Å; C42-F68 WeakPolarHBondContact SG-CZ 3.3Å |
| 43 | F | 45.5 | Very low | 46.9 | Very low | 84 Ų | 84 | 90.8 Ų | 90.8 | 37% | 0.368 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.5 | 171 | -61.1 | -84.7 | 0 | 0 | 0 | 109.3 | H41 F45 V69 | H41-F43 HydrophobicContact CB-CD2 4.41Å; H41-F43 HydrophobicContact CB-CE2 3.7Å; H41-F43 HydrophobicContact CB-CZ 4.07Å; F43-F45 HydrophobicContact CB-CD2 4.21Å; F43-F45 HydrophobicContact CB-CE2 3.55Å; F43-F45 HydrophobicContact CB-CZ 4.12Å; F43-F45 HydrophobicContact CG-CE2 4.45Å; F43-V69 HydrophobicContact CB-CB 4.42Å; F43-V69 PolarHBondContact N-O 3.48Å; F43-V69 PolarHBondContact O-N 3.36Å; F43-V69 VanDerWaalsContact O-N 3.07Å |
| 44 | F | 44.3 | Very low | 47.3 | Very low | 118 Ų | 118 | 90 Ų | 90 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | 172.3 | -66.1 | -92.7 | 0 | 0 | 0 | 108.1 | L23 C42 F68 | L23-F44 HydrophobicContact CD1-CD2 3.95Å; L23-F44 HydrophobicContact CD1-CE2 4.09Å; L23-F44 HydrophobicContact CD1-CG 4.43Å; L23-F44 HydrophobicContact CD2-CD2 3.41Å; L23-F44 VanDerWaalsContact CD2-CD2 3.41Å; L23-F44 HydrophobicContact CD2-CE2 3.64Å; L23-F44 HydrophobicContact CD2-CG 4.47Å; L23-F44 HydrophobicContact CG-CD2 4.34Å; L23-F44 HydrophobicContact CG-CE2 4.41Å; C42-F44 HydrophobicContact CB-CE2 4.37Å; F44-F68 HydrophobicContact CE1-CD2 4.42Å |
| 45 | F | 43.4 | Very low | 48 | Very low | 114 Ų | 114 | 87.1 Ų | 87.1 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 172.3 | -65.7 | -87.2 | 0 | 0 | 0 | 109.2 | F43 Y67 V69 | F43-F45 HydrophobicContact CB-CD2 4.21Å; F43-F45 HydrophobicContact CB-CE2 3.55Å; F43-F45 HydrophobicContact CB-CZ 4.12Å; F43-F45 HydrophobicContact CG-CE2 4.45Å; F45-Y67 PolarHBondContact N-O 2.88Å; F45-Y67 PolarHBondContact O-N 3.43Å; F45-V69 HydrophobicContact CD2-CB 4.46Å; F45-V69 HydrophobicContact CD2-CG2 3.97Å; F45-V69 HydrophobicContact CE2-CB 4.12Å; F45-V69 HydrophobicContact CE2-CG2 3.92Å |
| 46 | L | 44 | Very low | 47.9 | Very low | 77 Ų | 77 | 90.3 Ų | 90.3 | 40% | 0.403 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 106.7 | 166.7 | -79.7 | 154.7 | 0 | 0 | 0 | 107.2 | F48 F66 | L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.31Å; L46-F66 HydrophobicContact CD2-CD1 4.09Å; L46-F66 HydrophobicContact CD2-CE1 3.56Å; L46-F66 HydrophobicContact CD2-CZ 4.2Å |
| 47 | N | 40.6 | Very low | 48.1 | Very low | 69 Ų | 69 | 90.5 Ų | 90.5 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.3 | 169.2 | -166.1 | 12.8 | 0 | 0 | 0 | 109.3 | N49 S65 Y67 | N47-N49 PolarHBondContact ND2-OD1 2.85Å; N47-S65 PolarHBondContact N-O 2.94Å; N47-S65 PolarHBondContact O-N 2.84Å; N47-Y67 HydrophobicContact CB-CD2 4.29Å; N47-Y67 HydrophobicContact CB-CE2 3.9Å |
| 48 | F | 47.2 | Very low | 48.3 | Very low | 130 Ų | 130 | 93.3 Ų | 93.3 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 96.5 | 174.7 | -64 | -91.8 | 0 | 0 | 0 | 107.9 | L46 H50 F64 | L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.31Å; F48-H50 PolarHBondContact O-N 2.92Å; F48-H50 VanDerWaalsContact O-N 3.08Å; F48-F64 AromaticContact CD1-CD1 3.85Å; F48-F64 HydrophobicContact CD1-CD1 3.85Å; F48-F64 AromaticContact CD1-CE1 3.54Å; F48-F64 HydrophobicContact CD1-CE1 3.54Å; F48-F64 AromaticContact CE1-CD1 3.93Å; F48-F64 HydrophobicContact CE1-CD1 3.93Å; F48-F64 AromaticContact CE1-CE1 3.56Å; F48-F64 HydrophobicContact CE1-CE1 3.56Å |
| 49 | N | 52.5 | Low | 48.5 | Very low | 66 Ų | 66 | 98.8 Ų | 98.8 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 97.4 | 168.4 | -75.1 | -14.7 | 0 | 0 | 0 | 107.5 | N47 P51 Q63 | N47-N49 PolarHBondContact ND2-OD1 2.85Å; N49-P51 WeakPolarHBondContact O-CD 3.29Å; N49-Q63 HydrophobicContact CB-CB 4.45Å; N49-Q63 PolarHBondContact N-O 3.44Å |
| 50 | H | 51 | Low | 48.5 | Very low | 147 Ų | 147 | 99.8 Ų | 99.8 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 120.7 | 164.4 | -164.6 | -72.2 | 0 | 0 | 0 | 107.1 | F48 S52 | F48-H50 PolarHBondContact O-N 2.92Å; F48-H50 VanDerWaalsContact O-N 3.08Å; H50-S52 PolarHBondContact O-N 3.39Å; H50-S52 VanDerWaalsContact O-N 3.12Å |
| 51 | P | 50.9 | Low | 48.7 | Very low | 40 Ų | 40 | 101.2 Ų | 101.2 | 26% | 0.26 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 122 | 171.7 | 23.4 | -28.9 | 0 | 0 | 0 | 107.7 | N49 H53 A60 | N49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-H53 PolarHBondContact O-N 3.31Å; P51-A60 HydrophobicContact CB-CB 3.73Å; P51-A60 HydrophobicContact CG-CB 3.45Å; P51-A60 VanDerWaalsContact CG-CB 3.45Å; P51-A60 WeakPolarHBondContact CG-O 3.38Å |
| 52 | S | 52.3 | Low | 48.9 | Very low | 97 Ų | 97 | 102.7 Ų | 102.7 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 132.8 | 174.4 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | H50 D54 | H50-S52 PolarHBondContact O-N 3.39Å; H50-S52 VanDerWaalsContact O-N 3.12Å; S52-D54 PolarHBondContact O-N 2.83Å |
| 53 | H | 52.4 | Low | 48.9 | Very low | 176 Ų | 176 | 108 Ų | 108 | 82% | 0.815 | 58% | 0.582 | S | S | * | * | trans | -72.9 | 57.8 | -173.4 | -161.8 | -68.1 | 0 | 0 | 0 | 110.9 | P51 G55 | P51-H53 PolarHBondContact O-N 3.31Å; H53-G55 PolarHBondContact O-N 2.65Å; H53-G55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | D | 52.3 | Low | 48.9 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | trans | -72.4 | 102 | 161.7 | -83.8 | -22.9 | 0 | 0 | 0 | 106.2 | S52 N56 | S52-D54 PolarHBondContact O-N 2.83Å; D54-N56 PolarHBondContact O-N 2.75Å | ||
| 55 | G | 52.6 | Low | 48.9 | Very low | 72 Ų | 72 | 101.9 Ų | 101.9 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -67.5 | 59 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H53 | H53-G55 PolarHBondContact O-N 2.65Å; H53-G55 VanDerWaalsContact O-N 3.13Å |
| 56 | N | 54.2 | Low | 48.8 | Very low | 148 Ų | 148 | 102.6 Ų | 102.6 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -147.1 | 17.4 | 176.3 | -149.1 | 19.8 | 0 | 0 | 0 | 115.4 | D54 | D54-N56 PolarHBondContact O-N 2.75Š|
| 57 | N | 50.7 | Low | 48.6 | Very low | 132 Ų | 132 | 104.8 Ų | 104.8 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | trans | -142.3 | 101.5 | 174.7 | -96 | -27.4 | 0 | 0 | 0 | 111.3 | N59 A60 | N57-N59 PolarHBondContact O-N 3.44Å; N57-A60 PolarHBondContact O-N 2.88Å | ||
| 58 | E | 52.3 | Low | 48.7 | Very low | 203 Ų | 203 | 107.6 Ų | 107.6 | 95% | 0.949 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 0.5 | 171.5 | -54.7 | -176 | 164.7 | 0 | 0 | 113.3 | ||
| 59 | N | 50.3 | Low | 48.4 | Very low | 142 Ų | 142 | 104.2 Ų | 104.2 | 76% | 0.759 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 25.9 | -178.5 | -77.7 | -22 | 0 | 0 | 0 | 113.8 | N57 A61 | N57-N59 PolarHBondContact O-N 3.44Å; N59-A61 PolarHBondContact O-N 2.88Å |
| 60 | A | 46.8 | Very low | 47.9 | Very low | 55 Ų | 55 | 103.3 Ų | 103.3 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | trans | -68.8 | 79.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P51 N57 T62 | P51-A60 HydrophobicContact CB-CB 3.73Å; P51-A60 HydrophobicContact CG-CB 3.45Å; P51-A60 VanDerWaalsContact CG-CB 3.45Å; P51-A60 WeakPolarHBondContact CG-O 3.38Å; N57-A60 PolarHBondContact O-N 2.88Å; A60-T62 PolarHBondContact O-N 3.28Å | ||
| 61 | A | 49.3 | Very low | 47.5 | Very low | 78 Ų | 78 | 98.7 Ų | 98.7 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 122.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N59 Q63 | N59-A61 PolarHBondContact O-N 2.88Å; A61-Q63 PolarHBondContact O-N 3.49Å; A61-Q63 VanDerWaalsContact O-N 3.13Å |
| 62 | T | 49.7 | Very low | 46.9 | Very low | 51 Ų | 51 | 100.3 Ų | 100.3 | 31% | 0.313 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 117.3 | 169 | -49.3 | 0 | 0 | 0 | 0 | 109.1 | A60 F64 | A60-T62 PolarHBondContact O-N 3.28Å; T62-F64 HydrophobicContact CG2-CE1 3.91Å; T62-F64 HydrophobicContact CG2-CE2 4.13Å; T62-F64 HydrophobicContact CG2-CZ 3.7Å |
| 63 | Q | 43.9 | Very low | 46.6 | Very low | 129 Ų | 129 | 99.5 Ų | 99.5 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.7 | 176.2 | -165.2 | 174.8 | 11.7 | 0 | 0 | 108.5 | N49 A61 | N49-Q63 HydrophobicContact CB-CB 4.45Å; N49-Q63 PolarHBondContact N-O 3.44Å; A61-Q63 PolarHBondContact O-N 3.49Å; A61-Q63 VanDerWaalsContact O-N 3.13Å |
| 64 | F | 47 | Very low | 46.3 | Very low | 47 Ų | 47 | 96.7 Ų | 96.7 | 21% | 0.206 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.2 | 174.1 | -57.3 | -82.4 | 0 | 0 | 0 | 108.7 | T12 F48 T62 F66 | T12-F64 HydrophobicContact CG2-CD1 4.29Å; T12-F64 HydrophobicContact CG2-CD2 4.49Å; T12-F64 HydrophobicContact CG2-CE1 4.15Å; T12-F64 HydrophobicContact CG2-CE2 4.38Å; T12-F64 HydrophobicContact CG2-CG 4.45Å; T12-F64 HydrophobicContact CG2-CZ 4.21Å; F48-F64 AromaticContact CD1-CD1 3.85Å; F48-F64 HydrophobicContact CD1-CD1 3.85Å; F48-F64 AromaticContact CD1-CE1 3.54Å; F48-F64 HydrophobicContact CD1-CE1 3.54Å; F48-F64 AromaticContact CE1-CD1 3.93Å; F48-F64 HydrophobicContact CE1-CD1 3.93Å; F48-F64 AromaticContact CE1-CE1 3.56Å; F48-F64 HydrophobicContact CE1-CE1 3.56Å; T62-F64 HydrophobicContact CG2-CE1 3.91Å; T62-F64 HydrophobicContact CG2-CE2 4.13Å; T62-F64 HydrophobicContact CG2-CZ 3.7Å; F64-F66 HydrophobicContact CB-CE2 4.46Å |
| 65 | S | 44 | Very low | 46 | Very low | 26 Ų | 26 | 93.4 Ų | 93.4 | 18% | 0.182 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.3 | 172 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | N47 Y67 | N47-S65 PolarHBondContact N-O 2.94Å; N47-S65 PolarHBondContact O-N 2.84Å; S65-Y67 VanDerWaalsContact CB-CE2 3.46Å |
| 66 | F | 41.6 | Very low | 45.7 | Very low | 129 Ų | 129 | 94 Ų | 94 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.4 | 172.6 | -64.3 | -88 | 0 | 0 | 0 | 108.6 | L46 F64 | L46-F66 HydrophobicContact CD2-CD1 4.09Å; L46-F66 HydrophobicContact CD2-CE1 3.56Å; L46-F66 HydrophobicContact CD2-CZ 4.2Å; F64-F66 HydrophobicContact CB-CE2 4.46Å |
| 67 | Y | 39.9 | Very low | 45.4 | Very low | 123 Ų | 123 | 91.9 Ų | 91.9 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126 | 172.1 | -61.2 | -86.1 | 0 | 0 | 0 | 109.6 | F45 N47 S65 | F45-Y67 PolarHBondContact N-O 2.88Å; F45-Y67 PolarHBondContact O-N 3.43Å; N47-Y67 HydrophobicContact CB-CD2 4.29Å; N47-Y67 HydrophobicContact CB-CE2 3.9Å; S65-Y67 VanDerWaalsContact CB-CE2 3.46Å |
| 68 | F | 41.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 92.3 Ų | 92.3 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.7 | 170.8 | 177.4 | -98.9 | 0 | 0 | 0 | 108.4 | C42 F44 A70 | C42-F68 HydrophobicContact CB-CD2 4.49Å; C42-F68 HydrophobicContact CB-CE2 3.67Å; C42-F68 HydrophobicContact CB-CZ 4.19Å; C42-F68 WeakPolarHBondContact SG-CE2 3.34Å; C42-F68 WeakPolarHBondContact SG-CZ 3.3Å; F44-F68 HydrophobicContact CE1-CD2 4.42Å; F68-A70 HydrophobicContact CD1-CB 4.36Å; F68-A70 HydrophobicContact CE1-CB 3.49Å; F68-A70 VanDerWaalsContact CE1-CB 3.49Å; F68-A70 HydrophobicContact CZ-CB 3.78Å |
| 69 | V | 41.8 | Very low | 45 | Very low | 58 Ų | 58 | 85.6 Ų | 85.6 | 35% | 0.352 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 101.6 | 171.8 | -179 | 0 | 0 | 0 | 0 | 107.5 | F43 F45 | F43-V69 HydrophobicContact CB-CB 4.42Å; F43-V69 PolarHBondContact N-O 3.48Å; F43-V69 PolarHBondContact O-N 3.36Å; F43-V69 VanDerWaalsContact O-N 3.07Å; F45-V69 HydrophobicContact CD2-CB 4.46Å; F45-V69 HydrophobicContact CD2-CG2 3.97Å; F45-V69 HydrophobicContact CE2-CB 4.12Å; F45-V69 HydrophobicContact CE2-CG2 3.92Å |
| 70 | A | 41.3 | Very low | 44.5 | Very low | 47 Ų | 47 | 81 Ų | 81 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | H41 F68 | H41-A70 CarbonylContact O-C 3.07Å; H41-A70 WeakPolarHBondContact O-CA 3.43Å; F68-A70 HydrophobicContact CD1-CB 4.36Å; F68-A70 HydrophobicContact CE1-CB 3.49Å; F68-A70 VanDerWaalsContact CE1-CB 3.49Å; F68-A70 HydrophobicContact CZ-CB 3.78Å |
| 71 | T | 42 | Very low | 44.2 | Very low | 50 Ų | 50 | 88.4 Ų | 88.4 | 31% | 0.307 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.1 | 170.9 | -45.9 | 0 | 0 | 0 | 0 | 108.4 | H41 L73 | H41-T71 PolarHBondContact N-O 2.84Å; H41-T71 PolarHBondContact O-N 3.25Å; T71-L73 HydrophobicContact CG2-CD1 3.49Å; T71-L73 VanDerWaalsContact CG2-CD1 3.49Å; T71-L73 HydrophobicContact CG2-CG 4.08Å; T71-L73 PolarHBondContact O-N 3.2Å |
| 72 | V | 39.7 | Very low | 43.8 | Very low | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 94.4 | 168.6 | -174 | 0 | 0 | 0 | 0 | 106.7 | V38 Y40 P74 | V38-V72 HydrophobicContact CG1-CG1 3.72Å; Y40-V72 HydrophobicContact CD1-CG2 3.69Å; Y40-V72 HydrophobicContact CE1-CG1 4.47Å; Y40-V72 HydrophobicContact CE1-CG2 3.49Å; Y40-V72 VanDerWaalsContact CE1-CG2 3.49Å; V72-P74 WeakPolarHBondContact O-CD 3.44Å |
| 73 | L | 45.9 | Very low | 43.5 | Very low | 79 Ų | 79 | 93 Ų | 93 | 41% | 0.414 | 48% | 0.482 | S | S | . | . | trans | -95.9 | 112.2 | 167.7 | -89.7 | 127.2 | 0 | 0 | 0 | 107.7 | T71 L75 | T71-L73 HydrophobicContact CG2-CD1 3.49Å; T71-L73 VanDerWaalsContact CG2-CD1 3.49Å; T71-L73 HydrophobicContact CG2-CG 4.08Å; T71-L73 PolarHBondContact O-N 3.2Å; L73-L75 HydrophobicContact CB-CD1 3.87Å; L73-L75 HydrophobicContact CB-CG 4.08Å; L73-L75 HydrophobicContact CD2-CD1 4.14Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD1 4.49Å; L73-L75 PolarHBondContact O-N 3.07Å | ||
| 74 | P | 45.3 | Very low | 43.4 | Very low | 117 Ų | 117 | 91 Ų | 91 | 76% | 0.76 | 48% | 0.475 | S | S | * | . | trans | -72 | 79.1 | 167.2 | 30.3 | -32 | 0 | 0 | 0 | 108.2 | V72 | V72-P74 WeakPolarHBondContact O-CD 3.44Š| ||
| 75 | L | 47.1 | Very low | 43.2 | Very low | 72 Ų | 72 | 96.1 Ų | 96.1 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | trans | -91.4 | 130.1 | 173.7 | -80.7 | 158.6 | 0 | 0 | 0 | 108.9 | L73 V77 T79 | L73-L75 HydrophobicContact CB-CD1 3.87Å; L73-L75 HydrophobicContact CB-CG 4.08Å; L73-L75 HydrophobicContact CD2-CD1 4.14Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD1 4.49Å; L73-L75 PolarHBondContact O-N 3.07Å; L75-V77 PolarHBondContact O-N 3.29Å; L75-T79 HydrophobicContact CD2-CG2 4.13Å | ||
| 76 | P | 46 | Very low | 43.2 | Very low | 85 Ų | 85 | 103.3 Ų | 103.3 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | trans | -62.5 | 135.2 | 170 | 18.1 | -20.2 | 0 | 0 | 0 | 109.1 | N78 T79 | P76-N78 PolarHBondContact O-N 3.36Å; P76-T79 PolarHBondContact O-N 3.4Å; P76-T79 PolarHBondContact O-OG1 2.93Å | ||
| 77 | V | 47.9 | Very low | 43.1 | Very low | 103 Ų | 103 | 103.1 Ų | 103.1 | 62% | 0.624 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -48 | -28.4 | -175.9 | 178.9 | 0 | 0 | 0 | 0 | 113.1 | L75 F80 | L75-V77 PolarHBondContact O-N 3.29Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 2.99Å |
| 78 | N | 45.6 | Very low | 43.1 | Very low | 141 Ų | 141 | 103.6 Ų | 103.6 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.1 | -28.3 | 179.2 | -69.5 | -15.5 | 0 | 0 | 0 | 114.2 | P76 F80 | P76-N78 PolarHBondContact O-N 3.36Å; N78-F80 VanDerWaalsContact C-N 3.28Å; N78-F80 PolarHBondContact O-N 3.23Å |
| 79 | T | 47.4 | Very low | 43 | Very low | 62 Ų | 62 | 104.1 Ų | 104.1 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -26.5 | 177.7 | -46 | 0 | 0 | 0 | 0 | 111.3 | L75 P76 R81 H82 V83 | L75-T79 HydrophobicContact CD2-CG2 4.13Å; P76-T79 PolarHBondContact O-N 3.4Å; P76-T79 PolarHBondContact O-OG1 2.93Å; T79-R81 PolarHBondContact O-N 2.87Å; T79-H82 PolarHBondContact O-N 3.46Å; T79-V83 PolarHBondContact O-N 3.22Å |
| 80 | F | 41.2 | Very low | 43 | Very low | 47 Ų | 47 | 107.5 Ų | 107.5 | 21% | 0.206 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | -174.7 | -151.3 | -99.4 | 0 | 0 | 0 | 113.5 | E39 H41 V77 N78 H82 V83 L84 | E39-F80 VanDerWaalsContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CE2 3.25Å; E39-F80 WeakPolarHBondContact OE1-CZ 3.45Å; E39-F80 WeakPolarHBondContact OE2-CE2 3.41Å; H41-F80 AromaticContact CE1-CE2 3.51Å; H41-F80 AromaticContact CE1-CZ 3.65Å; H41-F80 AromaticContact NE2-CE2 3.47Å; H41-F80 WeakPolarHBondContact NE2-CE2 3.49Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 2.99Å; N78-F80 VanDerWaalsContact C-N 3.28Å; N78-F80 PolarHBondContact O-N 3.23Å; F80-H82 PolarHBondContact O-N 3.25Å; F80-V83 PolarHBondContact O-N 3.04Å; F80-L84 HydrophobicContact CD1-CD1 3.64Å; F80-L84 HydrophobicContact CD1-CG 4.24Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 PolarHBondContact O-N 2.86Å; F80-L84 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 40.6 | Very low | 42.8 | Very low | 209 Ų | 209 | 111.1 Ų | 111.1 | 79% | 0.789 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -28.8 | 179.7 | -139 | 178.9 | -141.3 | -136.8 | 2.9 | 112.8 | T79 K85 | T79-R81 PolarHBondContact O-N 2.87Å; R81-K85 PolarHBondContact O-N 3.22Å |
| 82 | H | 41 | Very low | 43 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.8 | -37.3 | 177 | -85.9 | -90.8 | 0 | 0 | 0 | 112.4 | T79 F80 K85 Y86 | T79-H82 PolarHBondContact O-N 3.46Å; F80-H82 PolarHBondContact O-N 3.25Å; H82-K85 PolarHBondContact O-N 3.36Å; H82-Y86 PolarHBondContact O-N 3.37Å; H82-Y86 VanDerWaalsContact O-N 3.1Å |
| 83 | V | 42.1 | Very low | 43.1 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.9 | -38.8 | 179 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | T79 F80 Y86 R87 | T79-V83 PolarHBondContact O-N 3.22Å; F80-V83 PolarHBondContact O-N 3.04Å; V83-Y86 PolarHBondContact O-N 3.13Å; V83-R87 PolarHBondContact O-N 3.34Å |
| 84 | L | 41.9 | Very low | 43 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 174.6 | -80.7 | 166.7 | 0 | 0 | 0 | 112.6 | F80 Y86 R87 E88 | F80-L84 HydrophobicContact CD1-CD1 3.64Å; F80-L84 HydrophobicContact CD1-CG 4.24Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 PolarHBondContact O-N 2.86Å; F80-L84 VanDerWaalsContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.28Å; L84-Y86 PolarHBondContact O-N 3.31Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-R87 VanDerWaalsContact O-N 3.15Å; L84-E88 PolarHBondContact O-N 3.12Å |
| 85 | K | 42.4 | Very low | 42.9 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 67% | 0.674 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.5 | -36.6 | 175.1 | -98.5 | -173.7 | 171.5 | -173.1 | 0 | 112.9 | R81 H82 R87 H89 | R81-K85 PolarHBondContact O-N 3.22Å; H82-K85 PolarHBondContact O-N 3.36Å; K85-R87 VanDerWaalsContact C-N 3.31Å; K85-H89 PolarHBondContact O-N 2.9Å |
| 86 | Y | 44.2 | Very low | 42.6 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 69% | 0.694 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.1 | -30.7 | 177.8 | -121.1 | -89.7 | 0 | 0 | 0 | 112.7 | H82 V83 L84 L90 | H82-Y86 PolarHBondContact O-N 3.37Å; H82-Y86 VanDerWaalsContact O-N 3.1Å; V83-Y86 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.28Å; L84-Y86 PolarHBondContact O-N 3.31Å; Y86-L90 HydrophobicContact CD1-CD1 4.42Å; Y86-L90 PolarHBondContact O-N 3.32Å |
| 87 | R | 39.6 | Very low | 42.4 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.9 | -33.2 | -177.2 | -147.5 | -177.1 | -176.9 | -164.3 | -0.3 | 113 | V83 L84 K85 H89 L90 L91 | V83-R87 PolarHBondContact O-N 3.34Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-R87 VanDerWaalsContact O-N 3.15Å; K85-R87 VanDerWaalsContact C-N 3.31Å; R87-H89 VanDerWaalsContact C-N 3.3Å; R87-L90 PolarHBondContact O-N 2.75Å; R87-L91 HydrophobicContact CG-CD1 4.44Å; R87-L91 PolarHBondContact O-N 3.29Å |
| 88 | E | 40.7 | Very low | 42.1 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.4 | -37.6 | 170.8 | -72 | -175.9 | 150.5 | 0 | 0 | 111.3 | L84 L90 L91 F92 | L84-E88 PolarHBondContact O-N 3.12Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.76Å; E88-L91 PolarHBondContact O-N 2.74Å; E88-F92 WeakPolarHBondContact O-CD2 3.39Å; E88-F92 PolarHBondContact O-N 3.13Å |
| 89 | H | 40.1 | Very low | 41.8 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.1 | -24.8 | 178.7 | -127.9 | -60.9 | 0 | 0 | 0 | 113.9 | K85 R87 | K85-H89 PolarHBondContact O-N 2.9Å; R87-H89 VanDerWaalsContact C-N 3.3Å |
| 90 | L | 40.2 | Very low | 41.4 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -89.2 | -15.6 | 179.2 | -91.7 | 155.8 | 0 | 0 | 0 | 114 | Y86 R87 E88 | Y86-L90 HydrophobicContact CD1-CD1 4.42Å; Y86-L90 PolarHBondContact O-N 3.32Å; R87-L90 PolarHBondContact O-N 2.75Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.76Å |
| 91 | L | 38 | Very low | 41.5 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -99.7 | -11.3 | -179.8 | -74.6 | 165.2 | 0 | 0 | 0 | 113.2 | R87 E88 | R87-L91 HydrophobicContact CG-CD1 4.44Å; R87-L91 PolarHBondContact O-N 3.29Å; E88-L91 PolarHBondContact O-N 2.74Å |
| 92 | F | 46.3 | Very low | 41.5 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 80% | 0.798 | 66% | 0.656 | S | S | * | * | trans | -128.9 | 16.2 | -176.1 | -68.5 | -80.9 | 0 | 0 | 0 | 114.2 | E88 | E88-F92 WeakPolarHBondContact O-CD2 3.39Å; E88-F92 PolarHBondContact O-N 3.13Å | ||
| 93 | S | 42 | Very low | 41.6 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 100% | 1.021 | 66% | 0.657 | S | S | * | * | trans | -116.4 | 0 | 166.2 | -75.7 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 93 of 93 residues in 73.9 ms
(Link to these results)