| 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 | 57.1 | Low | 75.1 | Confident | 188 Ų | 188 | 124.5 Ų | 124.5 | 93% | 0.926 | 62% | 0.615 | S | S | * | * | 0 | -78.1 | 0 | -71.2 | -51.4 | -172.8 | 0 | 0 | 112.3 | S3 L4 L5 | M1-S3 PolarHBondContact O-N 3.08Å; M1-L4 WeakPolarHBondContact O-CB 3.31Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 2.84Å | |||
| 2 | Q | 70.2 | Confident | 74.1 | Confident | 171 Ų | 171 | 116.7 Ų | 116.7 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -53.3 | -43.5 | -172.9 | -78.7 | 173.7 | -36.5 | 0 | 0 | 114.8 | L4 L5 L6 | Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.13Å; Q2-L5 WeakPolarHBondContact O-CB 3.27Å; Q2-L5 PolarHBondContact O-N 3.17Å; Q2-L6 PolarHBondContact O-N 3.32Å |
| 3 | S | 73.8 | Confident | 73.2 | Confident | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.3 | -31.1 | 177.5 | -35.9 | 0 | 0 | 0 | 0 | 113.8 | M1 L6 I7 | M1-S3 PolarHBondContact O-N 3.08Å; S3-L6 PolarHBondContact O-N 2.82Å; S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.33Å; S3-I7 PolarHBondContact O-N 2.87Å |
| 4 | L | 78.6 | Confident | 72 | Confident | 120 Ų | 120 | 121 Ų | 121 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.2 | -41 | 173.1 | -81.5 | 163.6 | 0 | 0 | 0 | 110.9 | M1 Q2 L6 I7 W8 | M1-L4 WeakPolarHBondContact O-CB 3.31Å; M1-L4 PolarHBondContact O-N 3.4Å; Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 2.93Å; L4-I7 PolarHBondContact O-N 2.72Å; L4-W8 WeakPolarHBondContact O-CB 3.11Å; L4-W8 PolarHBondContact O-N 2.8Å |
| 5 | L | 78.3 | Confident | 70.4 | Confident | 97 Ų | 97 | 121 Ų | 121 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.2 | -41.7 | 170.8 | -87.7 | 160.6 | 0 | 0 | 0 | 111.6 | M1 Q2 W8 F9 | M1-L5 PolarHBondContact O-N 2.84Å; Q2-L5 WeakPolarHBondContact O-CB 3.27Å; Q2-L5 PolarHBondContact O-N 3.17Å; L5-W8 PolarHBondContact O-N 3.5Å; L5-F9 HydrophobicContact CD2-CE2 4.33Å; L5-F9 WeakPolarHBondContact O-CB 3.15Å; L5-F9 VanDerWaalsContact O-CD2 3.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.28Å; L5-F9 PolarHBondContact O-N 3.45Å |
| 6 | L | 80.2 | Confident | 68.9 | Low | 115 Ų | 115 | 121.1 Ų | 121.1 | 60% | 0.602 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.3 | -43.8 | 177.9 | -156 | 86.4 | 0 | 0 | 0 | 111.8 | Q2 S3 L4 W8 F9 I10 | Q2-L6 PolarHBondContact O-N 3.32Å; S3-L6 PolarHBondContact O-N 2.82Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 2.93Å; L6-W8 VanDerWaalsContact C-N 3.33Å; L6-W8 PolarHBondContact O-N 2.89Å; L6-F9 PolarHBondContact O-N 2.76Å; L6-I10 HydrophobicContact CD2-CD1 4.4Å; L6-I10 HydrophobicContact CG-CD1 4.38Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.22Å |
| 7 | I | 84.2 | Confident | 67 | Low | 93 Ų | 93 | 116.8 Ų | 116.8 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -42.4 | 173.3 | -69.2 | 163.8 | 0 | 0 | 0 | 110.5 | S3 L4 F9 I10 I11 | S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.33Å; S3-I7 PolarHBondContact O-N 2.87Å; L4-I7 PolarHBondContact O-N 2.72Å; I7-F9 PolarHBondContact O-N 3.5Å; I7-I10 PolarHBondContact O-N 2.75Å; I7-I11 HydrophobicContact CG2-CD1 3.75Å; I7-I11 HydrophobicContact CG2-CG1 4.43Å; I7-I11 WeakPolarHBondContact O-CB 3.31Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.25Å; I7-I11 PolarHBondContact O-N 3.46Å |
| 8 | W | 81.5 | Confident | 65.4 | Low | 181 Ų | 181 | 114.1 Ų | 114.1 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -36.5 | 177.5 | -146.3 | 82 | 0 | 0 | 0 | 112.3 | L4 L5 L6 A12 | L4-W8 WeakPolarHBondContact O-CB 3.11Å; L4-W8 PolarHBondContact O-N 2.8Å; L5-W8 PolarHBondContact O-N 3.5Å; L6-W8 VanDerWaalsContact C-N 3.33Å; L6-W8 PolarHBondContact O-N 2.89Å; W8-A12 WeakPolarHBondContact O-CB 3.41Å; W8-A12 PolarHBondContact O-N 2.75Å |
| 9 | F | 74 | Confident | 64.4 | Low | 139 Ų | 139 | 112.9 Ų | 112.9 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 171.9 | -88.7 | -66.6 | 0 | 0 | 0 | 112.8 | L5 L6 I7 Y13 | L5-F9 HydrophobicContact CD2-CE2 4.33Å; L5-F9 WeakPolarHBondContact O-CB 3.15Å; L5-F9 VanDerWaalsContact O-CD2 3.26Å; L5-F9 WeakPolarHBondContact O-CD2 3.28Å; L5-F9 PolarHBondContact O-N 3.45Å; L6-F9 PolarHBondContact O-N 2.76Å; I7-F9 PolarHBondContact O-N 3.5Å; F9-Y13 WeakPolarHBondContact O-CB 3.31Å; F9-Y13 PolarHBondContact O-N 3.35Å |
| 10 | I | 74.8 | Confident | 63.6 | Low | 92 Ų | 92 | 111.8 Ų | 111.8 | 47% | 0.472 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.4 | -44.5 | 174.4 | -69.9 | 163.2 | 0 | 0 | 0 | 110.2 | L6 I7 Y13 I14 | L6-I10 HydrophobicContact CD2-CD1 4.4Å; L6-I10 HydrophobicContact CG-CD1 4.38Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.22Å; I7-I10 PolarHBondContact O-N 2.75Å; I10-Y13 PolarHBondContact O-N 2.68Å; I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 WeakPolarHBondContact O-CB 3.09Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.31Å; I10-I14 PolarHBondContact O-N 2.77Å |
| 11 | I | 73.5 | Confident | 63.3 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 43% | 0.431 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62 | -46.3 | 174.8 | -69.8 | 169 | 0 | 0 | 0 | 110.6 | I7 Y13 I14 I15 | I7-I11 HydrophobicContact CG2-CD1 3.75Å; I7-I11 HydrophobicContact CG2-CG1 4.43Å; I7-I11 WeakPolarHBondContact O-CB 3.31Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.25Å; I7-I11 PolarHBondContact O-N 3.46Å; I11-Y13 VanDerWaalsContact C-N 3.35Å; I11-Y13 PolarHBondContact O-N 2.75Å; I11-I14 PolarHBondContact O-N 3.32Å; I11-I15 HydrophobicContact CG2-CD1 3.65Å; I11-I15 HydrophobicContact CG2-CG1 4.47Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.21Å; I11-I15 PolarHBondContact O-N 2.8Å |
| 12 | A | 62.9 | Low | 63.8 | Low | 30 Ų | 30 | 104.8 Ų | 104.8 | 25% | 0.248 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -64.1 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | W8 I15 V16 | W8-A12 WeakPolarHBondContact O-CB 3.41Å; W8-A12 PolarHBondContact O-N 2.75Å; A12-I15 PolarHBondContact O-N 3.3Å; A12-V16 VanDerWaalsContact O-CB 3.25Å; A12-V16 WeakPolarHBondContact O-CB 3.19Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.25Å; A12-V16 PolarHBondContact O-N 2.77Å |
| 13 | Y | 62.3 | Low | 64.4 | Low | 183 Ų | 183 | 97 Ų | 97 | 72% | 0.718 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -33.2 | 176.1 | -170.9 | -100.2 | 0 | 0 | 0 | 112.2 | F9 I10 I11 G17 | F9-Y13 WeakPolarHBondContact O-CB 3.31Å; F9-Y13 PolarHBondContact O-N 3.35Å; I10-Y13 PolarHBondContact O-N 2.68Å; I11-Y13 VanDerWaalsContact C-N 3.35Å; I11-Y13 PolarHBondContact O-N 2.75Å; Y13-G17 WeakPolarHBondContact O-CA 3.21Å; Y13-G17 PolarHBondContact O-N 3.48Å |
| 14 | I | 56.2 | Low | 65 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 57% | 0.569 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.2 | -39 | 170.8 | -69.3 | 165.3 | 0 | 0 | 0 | 110.9 | I10 I11 A18 | I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 WeakPolarHBondContact O-CB 3.09Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.31Å; I10-I14 PolarHBondContact O-N 2.77Å; I11-I14 PolarHBondContact O-N 3.32Å; I14-A18 WeakPolarHBondContact O-CB 3.09Å; I14-A18 PolarHBondContact O-N 2.82Å |
| 15 | I | 48.3 | Very low | 65.5 | Low | 121 Ų | 121 | 95.8 Ų | 95.8 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.9 | -35.2 | -179.9 | -70.3 | 169.6 | 0 | 0 | 0 | 112.7 | I11 A12 | I11-I15 HydrophobicContact CG2-CD1 3.65Å; I11-I15 HydrophobicContact CG2-CG1 4.47Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.21Å; I11-I15 PolarHBondContact O-N 2.8Å; A12-I15 PolarHBondContact O-N 3.3Å |
| 16 | V | 46.1 | Very low | 65.9 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 74% | 0.739 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -100.7 | -27 | -174.8 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | A12 | A12-V16 VanDerWaalsContact O-CB 3.25Å; A12-V16 WeakPolarHBondContact O-CB 3.19Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.25Å; A12-V16 PolarHBondContact O-N 2.77Å |
| 17 | G | 38 | Very low | 66.3 | Low | 48 Ų | 48 | 91.8 Ų | 91.8 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -80.2 | -18 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y13 S19 | Y13-G17 WeakPolarHBondContact O-CA 3.21Å; Y13-G17 PolarHBondContact O-N 3.48Å; G17-S19 VanDerWaalsContact C-N 3.29Å; G17-S19 PolarHBondContact O-N 3.18Å; G17-S19 VanDerWaalsContact O-N 3.12Å |
| 18 | A | 36.9 | Very low | 66.7 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 56% | 0.562 | 48% | 0.479 | S | S | * | . | trans | -82.7 | 72.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I14 S20 | I14-A18 WeakPolarHBondContact O-CB 3.09Å; I14-A18 PolarHBondContact O-N 2.82Å; A18-S20 PolarHBondContact O-N 2.66Å | ||
| 19 | S | 46.4 | Very low | 67.2 | Low | 92 Ų | 92 | 79.9 Ų | 79.9 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | trans | -60.7 | 106.4 | 160.2 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | G17 D21 | G17-S19 VanDerWaalsContact C-N 3.29Å; G17-S19 PolarHBondContact O-N 3.18Å; G17-S19 VanDerWaalsContact O-N 3.12Å; S19-D21 VanDerWaalsContact C-N 3.34Å; S19-D21 PolarHBondContact O-N 2.8Å | ||
| 20 | S | 49.9 | Very low | 68.2 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | trans | -74.7 | 84.6 | -175.2 | 62.4 | 0 | 0 | 0 | 0 | 111 | A18 S22 | A18-S20 PolarHBondContact O-N 2.66Å; S20-S22 PolarHBondContact O-N 2.78Å | ||
| 21 | D | 56.9 | Low | 69.1 | Low | 92 Ų | 92 | 78.8 Ų | 78.8 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | trans | -60 | -9.8 | 171.4 | -85 | -31.9 | 0 | 0 | 0 | 113.5 | S19 | S19-D21 VanDerWaalsContact C-N 3.34Å; S19-D21 PolarHBondContact O-N 2.8Å | ||
| 22 | S | 66.8 | Low | 70 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 43% | 0.427 | 44% | 0.442 | S | S | . | . | trans | -71.9 | 119.2 | 170.2 | 58 | 0 | 0 | 0 | 0 | 112.4 | S20 | S20-S22 PolarHBondContact O-N 2.78Š| ||
| 23 | F | 83.7 | Confident | 71.3 | Confident | 8 Ų | 8 | 80.2 Ų | 80.2 | 4% | 0.035 | 45% | 0.451 | C | S | . | . | trans | -91.9 | 161.7 | 159.3 | 56.9 | -92.5 | 0 | 0 | 0 | 110.4 | V46 T47 I52 A98 N100 F105 T107 | F23-V46 HydrophobicContact CB-CB 4.28Å; F23-V46 HydrophobicContact CB-CG2 4.2Å; F23-V46 HydrophobicContact CD2-CB 3.62Å; F23-V46 HydrophobicContact CD2-CG1 3.6Å; F23-V46 HydrophobicContact CD2-CG2 3.69Å; F23-V46 HydrophobicContact CE2-CB 4.39Å; F23-V46 HydrophobicContact CE2-CG1 3.93Å; F23-V46 HydrophobicContact CE2-CG2 4.34Å; F23-V46 HydrophobicContact CG-CB 4.26Å; F23-V46 HydrophobicContact CG-CG2 4.04Å; F23-T47 WeakPolarHBondContact CA-O 3.43Å; F23-I52 HydrophobicContact CB-CD1 4.45Å; F23-I52 HydrophobicContact CD1-CD1 3.44Å; F23-I52 VanDerWaalsContact CD1-CD1 3.44Å; F23-I52 HydrophobicContact CE1-CD1 3.76Å; F23-I52 HydrophobicContact CG-CD1 3.88Å; F23-I52 HydrophobicContact CZ-CD1 4.44Å; F23-A98 HydrophobicContact CD2-CB 4.48Å; F23-A98 HydrophobicContact CE2-CB 3.5Å; F23-A98 HydrophobicContact CZ-CB 3.84Å; F23-N100 HydrophobicContact CD1-CB 3.99Å; F23-N100 HydrophobicContact CE1-CB 3.66Å; F23-F105 AromaticContact CD1-CD1 3.91Å; F23-F105 HydrophobicContact CD1-CD1 3.91Å; F23-F105 HydrophobicContact CD1-CE1 4.37Å; F23-F105 AromaticContact CE1-CD1 3.53Å; F23-F105 HydrophobicContact CE1-CD1 3.53Å; F23-F105 HydrophobicContact CE1-CE1 4.15Å; F23-F105 HydrophobicContact CZ-CD1 4.01Å; F23-F105 HydrophobicContact CZ-CE1 4.3Å; F23-T107 HydrophobicContact CD2-CG2 3.98Å; F23-T107 HydrophobicContact CE2-CG2 3.28Å; F23-T107 HydrophobicContact CZ-CG2 3.8Å | ||
| 24 | Y | 85.3 | Confident | 72.5 | Confident | 145 Ų | 145 | 72.3 Ų | 72.3 | 57% | 0.569 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.4 | 175.2 | 63.3 | -85.6 | 0 | 0 | 0 | 111.2 | T26 V46 T47 | Y24-T26 HydrophobicContact CD2-CG2 4.26Å; Y24-T26 HydrophobicContact CE2-CG2 3.62Å; Y24-T26 PolarHBondContact O-N 3.34Å; Y24-V46 CarbonylContact O-C 3.55Å; Y24-V46 WeakPolarHBondContact O-CA 3.13Å; Y24-V46 WeakPolarHBondContact O-CB 3.25Å; Y24-T47 VanDerWaalsContact CD1-O 3.3Å; Y24-T47 WeakPolarHBondContact CD1-O 3.27Å; Y24-T47 HydrophobicContact CE1-CG2 4.43Å; Y24-T47 WeakPolarHBondContact CE1-O 3.33Å; Y24-T47 PolarHBondContact N-O 2.68Å; Y24-T47 PolarHBondContact O-N 3.4Å |
| 25 | F | 89.6 | Confident | 73.8 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.7 | 176.8 | -67.6 | -86.8 | 0 | 0 | 0 | 111 | A45 V46 C96 A98 T107 A108 S109 | F25-A45 CarbonylContact C-O 3.55Å; F25-A45 WeakPolarHBondContact CA-O 3.24Å; F25-V46 HydrophobicContact CD1-CG1 3.45Å; F25-V46 VanDerWaalsContact CD1-CG1 3.45Å; F25-V46 HydrophobicContact CD2-CG1 4.41Å; F25-V46 HydrophobicContact CE1-CG1 3.57Å; F25-V46 HydrophobicContact CE2-CG1 4.5Å; F25-V46 HydrophobicContact CG-CG1 3.9Å; F25-V46 HydrophobicContact CZ-CG1 4.11Å; F25-C96 HydrophobicContact CE1-CB 4.44Å; F25-A98 HydrophobicContact CE1-CB 4.23Å; F25-A98 HydrophobicContact CZ-CB 4.04Å; F25-T107 HydrophobicContact CE2-CG2 3.77Å; F25-T107 HydrophobicContact CZ-CG2 4.44Å; F25-A108 WeakPolarHBondContact CE2-O 3.27Å; F25-S109 VanDerWaalsContact CZ-N 3.34Å |
| 26 | T | 86.1 | Confident | 75.3 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -30.5 | 168.4 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | Y24 A45 T47 | Y24-T26 HydrophobicContact CD2-CG2 4.26Å; Y24-T26 HydrophobicContact CE2-CG2 3.62Å; Y24-T26 PolarHBondContact O-N 3.34Å; T26-A45 PolarHBondContact N-O 2.93Å; T26-A45 PolarHBondContact OG1-O 2.97Å; T26-T47 VanDerWaalsContact CG2-OG1 3.3Å; T26-T47 WeakPolarHBondContact CG2-OG1 3.4Å |
| 27 | V | 89.9 | Confident | 76.7 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.8 | 171.4 | -176 | 0 | 0 | 0 | 0 | 108.7 | R43 C44 A45 | V27-R43 HydrophobicContact CG1-CB 3.72Å; V27-C44 WeakPolarHBondContact O-CA 3.3Å; V27-A45 HydrophobicContact CB-CB 3.92Å; V27-A45 HydrophobicContact CG2-CB 4.02Å; V27-A45 PolarHBondContact N-O 3.01Å; V27-A45 VanDerWaalsContact N-O 3.16Å; V27-A45 PolarHBondContact O-N 2.84Å |
| 28 | S | 91 | Very high | 78.8 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | trans | -104.1 | 157.4 | 165.1 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | R43 | S28-R43 CarbonylContact C-O 3.54Å; S28-R43 VanDerWaalsContact C-O 3.27Å | ||
| 29 | P | 93.6 | Very high | 81 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.019 | 34% | 0.344 | C | S | . | . | trans | -64.6 | 156.5 | 165 | 31.7 | -36.7 | 0 | 0 | 0 | 110.1 | L42 R43 W56 S109 A112 | P29-L42 HydrophobicContact CB-CB 4.29Å; P29-R43 WeakPolarHBondContact CA-O 3.42Å; P29-W56 HydrophobicContact CB-CH2 3.94Å; P29-W56 HydrophobicContact CB-CZ3 4.01Å; P29-W56 HydrophobicContact CG-CH2 4.08Å; P29-W56 HydrophobicContact CG-CZ3 3.93Å; P29-S109 WeakPolarHBondContact CD-OG 3.47Å; P29-A112 HydrophobicContact CB-CB 3.61Å; P29-A112 HydrophobicContact CG-CB 3.89Å | ||
| 30 | N | 93.5 | Very high | 83 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | trans | -124.8 | 156.9 | 171.3 | -57.7 | -42.2 | 0 | 0 | 0 | 107.7 | A112 | N30-A112 VanDerWaalsContact C-CB 3.46Å; N30-A112 WeakPolarHBondContact O-CB 3.41Å | ||
| 31 | D | 94.9 | Very high | 85 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | trans | -52.6 | 140.7 | 175.1 | -66.6 | 10.7 | 0 | 0 | 0 | 111.7 | A112 K113 | D31-A112 WeakPolarHBondContact OD1-CA 3.48Å; D31-K113 CarbonylContact C-O 3.55Å; D31-K113 WeakPolarHBondContact CA-O 3.49Å; D31-K113 WeakPolarHBondContact CB-O 3.2Å; D31-K113 PolarHBondContact OD1-N 2.85Å | ||
| 32 | Q | 92.5 | Very high | 86.7 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 128.9 | 179 | -72.6 | -175.8 | 45.7 | 0 | 0 | 111.6 | V34 L40 R41 L42 K113 V114 N115 | Q32-V34 HydrophobicContact CB-CG2 4.26Å; Q32-L40 HydrophobicContact CB-CD1 3.99Å; Q32-L40 HydrophobicContact CG-CD1 4.45Å; Q32-L40 VanDerWaalsContact OE1-CD1 3.24Å; Q32-R41 PolarHBondContact NE2-O 3.33Å; Q32-L42 HydrophobicContact CG-CD2 4.46Å; Q32-K113 PolarHBondContact N-O 3.42Å; Q32-V114 WeakPolarHBondContact O-CA 3.48Å; Q32-N115 PolarHBondContact O-N 3.41Å |
| 33 | D | 89 | Confident | 88 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.7 | 169.7 | -72.2 | -7.2 | 0 | 0 | 0 | 108.3 | N115 Y117 | D33-N115 WeakPolarHBondContact CA-O 3.43Å; D33-N115 WeakPolarHBondContact OD1-CB 3.3Å; D33-N115 PolarHBondContact OD1-ND2 3.19Å; D33-Y117 HydrophobicContact CB-CD1 4.24Å; D33-Y117 HydrophobicContact CB-CE1 3.6Å; D33-Y117 HydrophobicContact CB-CE2 4.21Å; D33-Y117 VanDerWaalsContact CG-CE1 3.48Å; D33-Y117 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y117 VanDerWaalsContact OD2-CZ 3.25Å; D33-Y117 PolarHBondContact OD2-OH 3.49Å |
| 34 | V | 88.5 | Confident | 88.4 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.8 | -171.7 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | Q32 Q38 L40 A85 N115 I116 Y117 | Q32-V34 HydrophobicContact CB-CG2 4.26Å; V34-Q38 HydrophobicContact CG1-CB 3.79Å; V34-L40 HydrophobicContact CG1-CB 4.42Å; V34-L40 HydrophobicContact CG2-CB 4.29Å; V34-L40 HydrophobicContact CG2-CD1 4.06Å; V34-A85 HydrophobicContact CG1-CB 4.11Å; V34-N115 PolarHBondContact N-O 2.84Å; V34-N115 VanDerWaalsContact N-O 3.14Å; V34-I116 HydrophobicContact CB-CD1 4.43Å; V34-I116 CarbonylContact O-C 3.6Å; V34-I116 VanDerWaalsContact O-CA 3.25Å; V34-I116 WeakPolarHBondContact O-CA 3.3Å; V34-Y117 PolarHBondContact O-N 2.92Å |
| 35 | E | 82 | Confident | 88.6 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 149.7 | 178.5 | -61 | 173.6 | -176.3 | 0 | 0 | 112.5 | G37 Q38 A85 Y117 A201 S365 | E35-G37 PolarHBondContact O-N 3.2Å; E35-Q38 HydrophobicContact CB-CG 3.91Å; E35-Q38 WeakPolarHBondContact O-CB 3.23Å; E35-Q38 PolarHBondContact O-N 2.87Å; E35-Q38 VanDerWaalsContact O-N 3.15Å; E35-A85 WeakPolarHBondContact O-CB 3.49Å; E35-Y117 WeakPolarHBondContact CA-O 3.25Å; E35-A201 HydrophobicContact CG-CB 4.34Å; E35-S365 WeakPolarHBondContact OE2-CB 3.26Å; E35-S365 PolarHBondContact OE2-OG 3.49Å |
| 36 | E | 81.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.6 | 174.7 | -173.7 | -179.2 | -162.9 | 0 | 0 | 111.7 | Q38 R87 I116 Y117 W118 R421 | E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 2.76Å; E36-R87 VanDerWaalsContact CD-NE 3.25Å; E36-R87 HydrophobicContact CG-CB 4.39Å; E36-R87 WeakPolarHBondContact OE1-CG 3.46Å; E36-R87 IonicContact OE1-CZ 3.48Å; E36-R87 IonicContact OE1-NE 2.7Å; E36-R87 PolarHBondContact OE1-NE 3.21Å; E36-R87 VanDerWaalsContact OE1-NE 3.16Å; E36-R87 IonicContact OE1-NH2 3.5Å; E36-R87 IonicContact OE2-CZ 2.71Å; E36-R87 IonicContact OE2-NE 3.7Å; E36-R87 PolarHBondContact OE2-NE 3.43Å; E36-R87 IonicContact OE2-NH2 3.58Å; E36-R87 PolarHBondContact OE2-NH2 2.76Å; E36-I116 HydrophobicContact CB-CG2 4.08Å; E36-Y117 PolarHBondContact N-O 2.79Å; E36-W118 HydrophobicContact CB-CB 4.33Å; E36-R421 IonicContact OE1-CZ 2.69Å; E36-R421 VanDerWaalsContact OE1-CZ 3.3Å; E36-R421 IonicContact OE1-NH1 3.49Å; E36-R421 PolarHBondContact OE1-NH1 3.39Å; E36-R421 IonicContact OE1-NH2 3.51Å; E36-R421 PolarHBondContact OE1-NH2 2.79Å; E36-R421 IonicContact OE2-NH2 3.12Å |
| 37 | G | 75.4 | Confident | 88.6 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -21.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E35 H84 A85 | E35-G37 PolarHBondContact O-N 3.2Å; G37-H84 PolarHBondContact O-ND1 3.31Å; G37-A85 PolarHBondContact N-O 3.46Å |
| 38 | Q | 81.2 | Confident | 88.3 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -73.8 | 156.6 | 178 | -65.4 | -64.1 | -16.7 | 0 | 0 | 112.5 | V34 E35 E36 A85 | V34-Q38 HydrophobicContact CG1-CB 3.79Å; E35-Q38 HydrophobicContact CB-CG 3.91Å; E35-Q38 WeakPolarHBondContact O-CB 3.23Å; E35-Q38 PolarHBondContact O-N 2.87Å; E35-Q38 VanDerWaalsContact O-N 3.15Å; E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 2.76Å; Q38-A85 WeakPolarHBondContact O-CB 3.39Å; Q38-A85 PolarHBondContact O-N 2.84Å |
| 39 | P | 84.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | trans | -80.8 | 141.9 | 177.5 | 32.4 | -34.4 | 0 | 0 | 0 | 112.5 | I82 | P39-I82 WeakPolarHBondContact CA-O 3.44Š| ||
| 40 | L | 87.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133 | -178.4 | 158.5 | 62.2 | 0 | 0 | 0 | 109.7 | Q32 V34 L42 Q81 I82 V114 | Q32-L40 HydrophobicContact CB-CD1 3.99Å; Q32-L40 HydrophobicContact CG-CD1 4.45Å; Q32-L40 VanDerWaalsContact OE1-CD1 3.24Å; V34-L40 HydrophobicContact CG1-CB 4.42Å; V34-L40 HydrophobicContact CG2-CB 4.29Å; V34-L40 HydrophobicContact CG2-CD1 4.06Å; L40-L42 HydrophobicContact CD1-CD2 3.89Å; L40-L42 HydrophobicContact CD1-CG 4.15Å; L40-Q81 WeakPolarHBondContact O-CA 3.33Å; L40-I82 HydrophobicContact CB-CB 4.23Å; L40-I82 HydrophobicContact CD2-CD1 4.03Å; L40-I82 HydrophobicContact CG-CB 4.5Å; L40-I82 PolarHBondContact N-O 2.88Å; L40-I82 PolarHBondContact O-N 3.29Å; L40-V114 HydrophobicContact CD2-CG1 3.6Å; L40-V114 HydrophobicContact CD2-CG2 4.06Å |
| 41 | R | 91.6 | Very high | 86.5 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 104 | 179.5 | -177.3 | 169.9 | 179.5 | -160.7 | 1.1 | 111.2 | Q32 E75 N79 L80 Q81 | Q32-R41 PolarHBondContact NE2-O 3.33Å; R41-E75 IonicContact CZ-OE1 3.7Å; R41-E75 IonicContact CZ-OE2 3.9Å; R41-E75 IonicContact NE-OE1 2.7Å; R41-E75 IonicContact NE-OE2 3.52Å; R41-E75 PolarHBondContact NE-OE2 3.5Å; R41-E75 IonicContact NH2-OE1 2.72Å; R41-E75 PolarHBondContact NH2-OE1 2.82Å; R41-E75 IonicContact NH2-OE2 3.42Å; R41-E75 PolarHBondContact NH2-OE2 2.81Å; R41-N79 HydrophobicContact CG-CB 4.47Å; R41-L80 WeakPolarHBondContact CA-O 3.17Å; R41-Q81 HydrophobicContact CB-CG 4.28Å; R41-Q81 HydrophobicContact CG-CG 3.87Å |
| 42 | L | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.6 | 173.2 | -60.8 | -179.7 | 0 | 0 | 0 | 109.3 | P29 Q32 L40 W56 N79 L80 Y94 V114 | P29-L42 HydrophobicContact CB-CB 4.29Å; Q32-L42 HydrophobicContact CG-CD2 4.46Å; L40-L42 HydrophobicContact CD1-CD2 3.89Å; L40-L42 HydrophobicContact CD1-CG 4.15Å; L42-W56 HydrophobicContact CB-CH2 3.57Å; L42-W56 HydrophobicContact CB-CZ2 4.38Å; L42-W56 HydrophobicContact CB-CZ3 3.79Å; L42-W56 HydrophobicContact CD1-CZ3 3.98Å; L42-N79 CarbonylContact O-C 3.54Å; L42-N79 VanDerWaalsContact O-CA 3.3Å; L42-N79 WeakPolarHBondContact O-CA 3.42Å; L42-N79 WeakPolarHBondContact O-CB 3.42Å; L42-L80 HydrophobicContact CB-CB 4.39Å; L42-L80 HydrophobicContact CD1-CD2 4.46Å; L42-L80 PolarHBondContact N-O 3.45Å; L42-L80 PolarHBondContact O-N 3.34Å; L42-Y94 VanDerWaalsContact CD1-CB 3.47Å; L42-Y94 HydrophobicContact CD1-CD1 3.8Å; L42-Y94 HydrophobicContact CD1-CD2 3.89Å; L42-Y94 HydrophobicContact CD1-CE1 4.48Å; L42-Y94 HydrophobicContact CD1-CG 3.45Å; L42-Y94 VanDerWaalsContact CD1-CG 3.45Å; L42-V114 HydrophobicContact CD1-CG2 4.13Å; L42-V114 HydrophobicContact CD2-CG2 4.07Å |
| 43 | R | 92.7 | Very high | 85.8 | Confident | 141 Ų | 141 | 52.9 Ų | 52.9 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | trans | -92.1 | 146.7 | -176.1 | -61.2 | -170.6 | -173.2 | -171.9 | 2.3 | 113 | V27 S28 P29 N79 | V27-R43 HydrophobicContact CG1-CB 3.72Å; S28-R43 CarbonylContact C-O 3.54Å; S28-R43 VanDerWaalsContact C-O 3.27Å; P29-R43 WeakPolarHBondContact CA-O 3.42Å; R43-N79 WeakPolarHBondContact CA-OD1 3.08Å; R43-N79 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 44 | C | 92.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | trans | -148.4 | 145.9 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | V27 W56 D77 S78 N79 C96 | V27-C44 WeakPolarHBondContact O-CA 3.3Å; C44-W56 HydrophobicContact CB-CH2 4.05Å; C44-W56 HydrophobicContact CB-CZ2 3.53Å; C44-D77 VanDerWaalsContact O-O 3.09Å; C44-S78 PolarHBondContact O-OG 3.33Å; C44-N79 PolarHBondContact N-OD1 2.8Å; C44-N79 VanDerWaalsContact N-OD1 3.12Å; C44-N79 PolarHBondContact O-OD1 2.77Å; C44-C96 HydrophobicContact CB-CB 3.71Å; C44-C96 WeakPolarHBondContact CB-SG 3.27Å; C44-C96 WeakPolarHBondContact SG-CB 3.28Å; C44-C96 CovalentContact SG-SG 2.04Å; C44-C96 PolarHBondContact SG-SG 2.89Å | ||
| 45 | A | 90.8 | Very high | 85.9 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 147.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F25 T26 V27 | F25-A45 CarbonylContact C-O 3.55Å; F25-A45 WeakPolarHBondContact CA-O 3.24Å; T26-A45 PolarHBondContact N-O 2.93Å; T26-A45 PolarHBondContact OG1-O 2.97Å; V27-A45 HydrophobicContact CB-CB 3.92Å; V27-A45 HydrophobicContact CG2-CB 4.02Å; V27-A45 PolarHBondContact N-O 3.01Å; V27-A45 VanDerWaalsContact N-O 3.16Å; V27-A45 PolarHBondContact O-N 2.84Å |
| 46 | V | 89 | Confident | 86.4 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 163.9 | 170.1 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | F23 Y24 F25 I52 Y54 A98 | F23-V46 HydrophobicContact CB-CB 4.28Å; F23-V46 HydrophobicContact CB-CG2 4.2Å; F23-V46 HydrophobicContact CD2-CB 3.62Å; F23-V46 HydrophobicContact CD2-CG1 3.6Å; F23-V46 HydrophobicContact CD2-CG2 3.69Å; F23-V46 HydrophobicContact CE2-CB 4.39Å; F23-V46 HydrophobicContact CE2-CG1 3.93Å; F23-V46 HydrophobicContact CE2-CG2 4.34Å; F23-V46 HydrophobicContact CG-CB 4.26Å; F23-V46 HydrophobicContact CG-CG2 4.04Å; Y24-V46 CarbonylContact O-C 3.55Å; Y24-V46 WeakPolarHBondContact O-CA 3.13Å; Y24-V46 WeakPolarHBondContact O-CB 3.25Å; F25-V46 HydrophobicContact CD1-CG1 3.45Å; F25-V46 VanDerWaalsContact CD1-CG1 3.45Å; F25-V46 HydrophobicContact CD2-CG1 4.41Å; F25-V46 HydrophobicContact CE1-CG1 3.57Å; F25-V46 HydrophobicContact CE2-CG1 4.5Å; F25-V46 HydrophobicContact CG-CG1 3.9Å; F25-V46 HydrophobicContact CZ-CG1 4.11Å; V46-I52 HydrophobicContact CG2-CB 4.39Å; V46-I52 HydrophobicContact CG2-CD1 4.21Å; V46-I52 HydrophobicContact CG2-CG1 3.75Å; V46-I52 HydrophobicContact CG2-CG2 3.98Å; V46-Y54 HydrophobicContact CG1-CE1 4.19Å; V46-Y54 HydrophobicContact CG2-CE1 4.14Å; V46-Y54 PolarHBondContact N-OH 3.42Å; V46-A98 HydrophobicContact CG1-CB 4.01Å |
| 47 | T | 86.2 | Confident | 86.9 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134 | 172 | -67.1 | 0 | 0 | 0 | 0 | 110.1 | F23 Y24 T26 | F23-T47 WeakPolarHBondContact CA-O 3.43Å; Y24-T47 VanDerWaalsContact CD1-O 3.3Å; Y24-T47 WeakPolarHBondContact CD1-O 3.27Å; Y24-T47 HydrophobicContact CE1-CG2 4.43Å; Y24-T47 WeakPolarHBondContact CE1-O 3.33Å; Y24-T47 PolarHBondContact N-O 2.68Å; Y24-T47 PolarHBondContact O-N 3.4Å; T26-T47 VanDerWaalsContact CG2-OG1 3.3Å; T26-T47 WeakPolarHBondContact CG2-OG1 3.4Å |
| 48 | P | 83.7 | Confident | 87.8 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -63.1 | 149.3 | -10.4 | 29.6 | -36 | 0 | 0 | 0 | 112.4 | ||
| 49 | S | 79.1 | Confident | 88.3 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 58% | 0.58 | 25% | 0.25 | S | C | * | . | trans | -91.9 | -4.8 | -176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | I52 | S49-I52 WeakPolarHBondContact O-CG1 3.5Š| ||
| 50 | K | 81.2 | Confident | 88.5 | Confident | 155 Ų | 155 | 47.7 Ų | 47.7 | 67% | 0.674 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 139.2 | -177.1 | -169.9 | -172.7 | 171.6 | -170.1 | 0 | 111.6 | I52 | K50-I52 PolarHBondContact O-N 2.88Å; K50-I52 VanDerWaalsContact O-N 3.1Å |
| 51 | D | 79.4 | Confident | 88.6 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19 | 177.3 | -53.5 | -33 | 0 | 0 | 0 | 114.8 | R101 S102 | D51-R101 WeakPolarHBondContact O-CB 3.22Å; D51-R101 VanDerWaalsContact O-CG 3.26Å; D51-R101 WeakPolarHBondContact O-CG 3.04Å; D51-R101 PolarHBondContact O-N 2.61Å; D51-S102 WeakPolarHBondContact CB-OG 3.44Å; D51-S102 PolarHBondContact OD2-OG 2.61Å |
| 52 | I | 85.4 | Confident | 88.3 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 145.4 | 177.2 | -52.7 | -58.7 | 0 | 0 | 0 | 111 | F23 V46 S49 K50 Y54 A98 L99 N100 R101 | F23-I52 HydrophobicContact CB-CD1 4.45Å; F23-I52 HydrophobicContact CD1-CD1 3.44Å; F23-I52 VanDerWaalsContact CD1-CD1 3.44Å; F23-I52 HydrophobicContact CE1-CD1 3.76Å; F23-I52 HydrophobicContact CG-CD1 3.88Å; F23-I52 HydrophobicContact CZ-CD1 4.44Å; V46-I52 HydrophobicContact CG2-CB 4.39Å; V46-I52 HydrophobicContact CG2-CD1 4.21Å; V46-I52 HydrophobicContact CG2-CG1 3.75Å; V46-I52 HydrophobicContact CG2-CG2 3.98Å; S49-I52 WeakPolarHBondContact O-CG1 3.5Å; K50-I52 PolarHBondContact O-N 2.88Å; K50-I52 VanDerWaalsContact O-N 3.1Å; I52-Y54 HydrophobicContact CB-CE2 4.03Å; I52-Y54 HydrophobicContact CG2-CD1 4.22Å; I52-Y54 HydrophobicContact CG2-CD2 3.84Å; I52-Y54 HydrophobicContact CG2-CE1 3.99Å; I52-Y54 HydrophobicContact CG2-CE2 3.59Å; I52-Y54 HydrophobicContact CG2-CG 4.18Å; I52-A98 HydrophobicContact CG2-CB 4Å; I52-L99 CarbonylContact C-O 3.54Å; I52-L99 WeakPolarHBondContact CA-O 3.48Å; I52-N100 HydrophobicContact CD1-CB 4Å; I52-R101 PolarHBondContact O-NH2 3.46Å |
| 53 | Y | 86.9 | Confident | 88 | Confident | 79 Ų | 79 | 54 Ų | 54 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.1 | 164.6 | 170.8 | -80.1 | 0 | 0 | 0 | 107.9 | R62 A98 L99 | Y53-R62 PolarHBondContact OH-NH2 2.84Å; Y53-R62 VanDerWaalsContact OH-NH2 3.09Å; Y53-A98 CarbonylContact O-C 3.59Å; Y53-A98 WeakPolarHBondContact O-CA 3.46Å; Y53-L99 HydrophobicContact CD1-CB 4.37Å; Y53-L99 HydrophobicContact CD1-CD2 4.28Å; Y53-L99 PolarHBondContact N-O 2.87Å; Y53-L99 PolarHBondContact O-N 3.29Å |
| 54 | Y | 90.1 | Very high | 87.2 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.8 | -178.9 | -61.4 | -96.4 | 0 | 0 | 0 | 111.4 | V46 I52 S78 Q97 A98 | V46-Y54 HydrophobicContact CG1-CE1 4.19Å; V46-Y54 HydrophobicContact CG2-CE1 4.14Å; V46-Y54 PolarHBondContact N-OH 3.42Å; I52-Y54 HydrophobicContact CB-CE2 4.03Å; I52-Y54 HydrophobicContact CG2-CD1 4.22Å; I52-Y54 HydrophobicContact CG2-CD2 3.84Å; I52-Y54 HydrophobicContact CG2-CE1 3.99Å; I52-Y54 HydrophobicContact CG2-CE2 3.59Å; I52-Y54 HydrophobicContact CG2-CG 4.18Å; Y54-S78 VanDerWaalsContact CD1-CB 3.41Å; Y54-S78 WeakPolarHBondContact CE1-OG 3.28Å; Y54-Q97 CarbonylContact C-O 3.57Å; Y54-Q97 WeakPolarHBondContact CA-O 3.4Å; Y54-A98 HydrophobicContact CD1-CB 3.88Å; Y54-A98 HydrophobicContact CE1-CB 4.12Å |
| 55 | S | 90.1 | Very high | 86.1 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.5 | 174.8 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | R62 Q97 | S55-R62 VanDerWaalsContact CB-CZ 3.44Å; S55-R62 PolarHBondContact OG-NH1 3.29Å; S55-Q97 PolarHBondContact N-O 2.81Å; S55-Q97 PolarHBondContact O-N 3.31Å; S55-Q97 VanDerWaalsContact O-O 3.11Å |
| 56 | W | 93.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.7 | -177.7 | -74 | 78.5 | 0 | 0 | 0 | 111.8 | P29 L42 C44 L63 L74 S78 L80 Q95 C96 | P29-W56 HydrophobicContact CB-CH2 3.94Å; P29-W56 HydrophobicContact CB-CZ3 4.01Å; P29-W56 HydrophobicContact CG-CH2 4.08Å; P29-W56 HydrophobicContact CG-CZ3 3.93Å; L42-W56 HydrophobicContact CB-CH2 3.57Å; L42-W56 HydrophobicContact CB-CZ2 4.38Å; L42-W56 HydrophobicContact CB-CZ3 3.79Å; L42-W56 HydrophobicContact CD1-CZ3 3.98Å; C44-W56 HydrophobicContact CB-CH2 4.05Å; C44-W56 HydrophobicContact CB-CZ2 3.53Å; W56-L63 HydrophobicContact CB-CD1 3.97Å; W56-L63 PolarHBondContact O-N 2.8Å; W56-L74 VanDerWaalsContact CD1-CD1 3.47Å; W56-S78 PolarHBondContact NE1-O 3.49Å; W56-L80 HydrophobicContact CB-CD2 4.28Å; W56-L80 HydrophobicContact CD2-CB 3.77Å; W56-L80 HydrophobicContact CD2-CD2 4.12Å; W56-L80 HydrophobicContact CE3-CB 4.28Å; W56-L80 HydrophobicContact CE3-CD2 4.21Å; W56-L80 HydrophobicContact CG-CB 4.09Å; W56-L80 HydrophobicContact CG-CD2 4.16Å; W56-L80 HydrophobicContact CH2-CB 4.42Å; W56-L80 HydrophobicContact CZ2-CB 3.93Å; W56-Q95 CarbonylContact C-O 3.4Å; W56-Q95 WeakPolarHBondContact CA-O 3.29Å; W56-C96 HydrophobicContact CD2-CB 4.17Å; W56-C96 HydrophobicContact CE3-CB 4.21Å; W56-C96 HydrophobicContact CH2-CB 4Å; W56-C96 HydrophobicContact CZ2-CB 3.95Å; W56-C96 HydrophobicContact CZ3-CB 4.13Å |
| 57 | L | 91.7 | Very high | 83.3 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.2 | 164.3 | -53.3 | -178.7 | 0 | 0 | 0 | 109.5 | T61 R62 Y94 Q95 Q97 | L57-T61 CarbonylContact C-O 3.52Å; L57-T61 VanDerWaalsContact CA-O 3.23Å; L57-T61 WeakPolarHBondContact CA-O 3.3Å; L57-R62 HydrophobicContact CD2-CB 3.88Å; L57-R62 HydrophobicContact CD2-CG 4.47Å; L57-Y94 VanDerWaalsContact O-CA 3.3Å; L57-Y94 WeakPolarHBondContact O-CA 3.31Å; L57-Q95 HydrophobicContact CB-CB 4.21Å; L57-Q95 HydrophobicContact CD1-CB 4.3Å; L57-Q95 HydrophobicContact CG-CB 4.5Å; L57-Q95 PolarHBondContact N-O 3.5Å; L57-Q95 PolarHBondContact O-N 2.8Å; L57-Q95 VanDerWaalsContact O-N 3.1Å; L57-Q97 HydrophobicContact CD1-CG 4.29Å; L57-Q97 HydrophobicContact CD2-CG 4.48Å; L57-Q97 HydrophobicContact CG-CG 4.13Å |
| 58 | H | 93.8 | Very high | 82 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122.8 | 164.5 | 175 | -130.5 | 0 | 0 | 0 | 108 | G60 T61 L63 L89 P91 T93 Y94 | H58-G60 PolarHBondContact O-N 3.47Å; H58-T61 PolarHBondContact N-O 2.83Å; H58-T61 PolarHBondContact O-N 3.4Å; H58-T61 PolarHBondContact O-OG1 3.44Å; H58-L63 HydrophobicContact CB-CD1 4.21Å; H58-L63 HydrophobicContact CB-CD2 3.58Å; H58-L63 HydrophobicContact CB-CG 3.92Å; H58-L89 PolarHBondContact CE1-O 3.25Å; H58-P91 PolarHBondContact NE2-O 2.84Å; H58-P91 VanDerWaalsContact NE2-O 3.13Å; H58-T93 CarbonylContact C-O 3.57Å; H58-T93 WeakPolarHBondContact CA-O 3.3Å; H58-Y94 HydrophobicContact CB-CD1 4.11Å; H58-Y94 HydrophobicContact CB-CE1 3.85Å; H58-Y94 AromaticContact CD2-CD2 3.92Å; H58-Y94 AromaticContact CD2-CE1 3.74Å; H58-Y94 AromaticContact CD2-CE2 3.4Å; H58-Y94 WeakPolarHBondContact CD2-CE2 3.47Å; H58-Y94 AromaticContact CD2-CZ 3.29Å; H58-Y94 AromaticContact CG-CE1 3.9Å; H58-Y94 AromaticContact CG-CZ 3.83Å; H58-Y94 AromaticContact NE2-CE2 3.85Å; H58-Y94 AromaticContact NE2-CZ 3.8Å |
| 59 | N | 92.1 | Very high | 80.8 | Confident | 89 Ų | 89 | 69 Ų | 69 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 41.5 | -173.1 | -62.4 | -35.1 | 0 | 0 | 0 | 112.7 | T61 G92 T93 | N59-T61 PolarHBondContact O-N 3.04Å; N59-G92 WeakPolarHBondContact OD1-CA 3.31Å; N59-T93 PolarHBondContact N-O 3.43Å; N59-T93 PolarHBondContact OD1-N 2.8Å |
| 60 | G | 87.2 | Confident | 80 | Confident | 59 Ų | 59 | 67 Ų | 67 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -11.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H58 | H58-G60 PolarHBondContact O-N 3.47Š|
| 61 | T | 89.4 | Confident | 80 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 137.4 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | L57 H58 N59 L63 | L57-T61 CarbonylContact C-O 3.52Å; L57-T61 VanDerWaalsContact CA-O 3.23Å; L57-T61 WeakPolarHBondContact CA-O 3.3Å; H58-T61 PolarHBondContact N-O 2.83Å; H58-T61 PolarHBondContact O-N 3.4Å; H58-T61 PolarHBondContact O-OG1 3.44Å; N59-T61 PolarHBondContact O-N 3.04Å; T61-L63 PolarHBondContact O-N 2.83Å |
| 62 | R | 86.2 | Confident | 80.2 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.8 | -178.1 | -177.4 | 170.2 | 169.5 | 144.7 | -14 | 111.4 | Y53 S55 L57 Q64 | Y53-R62 PolarHBondContact OH-NH2 2.84Å; Y53-R62 VanDerWaalsContact OH-NH2 3.09Å; S55-R62 VanDerWaalsContact CB-CZ 3.44Å; S55-R62 PolarHBondContact OG-NH1 3.29Å; L57-R62 HydrophobicContact CD2-CB 3.88Å; L57-R62 HydrophobicContact CD2-CG 4.47Å; R62-Q64 PolarHBondContact O-N 2.83Å |
| 63 | L | 86.5 | Confident | 79.9 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -63 | 120.9 | 178.8 | -67.3 | -179.2 | 0 | 0 | 0 | 111 | W56 H58 T61 L65 R72 L80 Y94 | W56-L63 HydrophobicContact CB-CD1 3.97Å; W56-L63 PolarHBondContact O-N 2.8Å; H58-L63 HydrophobicContact CB-CD1 4.21Å; H58-L63 HydrophobicContact CB-CD2 3.58Å; H58-L63 HydrophobicContact CB-CG 3.92Å; T61-L63 PolarHBondContact O-N 2.83Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 HydrophobicContact CB-CD2 3.97Å; L63-L65 HydrophobicContact CB-CG 4.14Å; L63-L65 HydrophobicContact CD1-CD2 4.25Å; L63-L65 PolarHBondContact O-N 2.82Å; L63-R72 VanDerWaalsContact CD2-NH1 3.33Å; L63-L80 HydrophobicContact CD1-CD1 4.43Å; L63-L80 HydrophobicContact CD1-CD2 3.72Å; L63-Y94 HydrophobicContact CD1-CD1 4.36Å; L63-Y94 HydrophobicContact CD1-CE1 4.03Å |
| 64 | Q | 76.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 59.9 Ų | 59.9 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | trans | -92.1 | 67.4 | 176.4 | -63.8 | 180 | 9.6 | 0 | 0 | 109 | R62 E66 R67 E68 | R62-Q64 PolarHBondContact O-N 2.83Å; Q64-E66 PolarHBondContact O-N 3.37Å; Q64-R67 HydrophobicContact CB-CB 4.39Å; Q64-R67 HydrophobicContact CB-CG 4.49Å; Q64-R67 WeakPolarHBondContact O-CA 3.26Å; Q64-R67 PolarHBondContact O-N 3.41Å; Q64-E68 PolarHBondContact O-N 3.26Å | ||
| 65 | L | 70.4 | Confident | 78.8 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.4 | -175.1 | -58.5 | 174.9 | 0 | 0 | 0 | 113 | L63 R67 E68 R72 L74 L80 | L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 HydrophobicContact CB-CD2 3.97Å; L63-L65 HydrophobicContact CB-CG 4.14Å; L63-L65 HydrophobicContact CD1-CD2 4.25Å; L63-L65 PolarHBondContact O-N 2.82Å; L65-R67 PolarHBondContact O-N 3.17Å; L65-E68 PolarHBondContact O-N 2.83Å; L65-R72 HydrophobicContact CD2-CB 3.67Å; L65-L74 HydrophobicContact CD1-CB 4.01Å; L65-L74 HydrophobicContact CD1-CD1 4.46Å; L65-L80 HydrophobicContact CD1-CD1 3.94Å; L65-L80 HydrophobicContact CD2-CD1 3.86Å |
| 66 | E | 61.9 | Low | 77.9 | Confident | 146 Ų | 146 | 65.3 Ų | 65.3 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.2 | 172.6 | -62 | -176.3 | -133.3 | 0 | 0 | 115 | Q64 K543 | Q64-E66 PolarHBondContact O-N 3.37Å; E66-K543 IonicContact OE2-NZ 3.66Å; E66-K543 PolarHBondContact OE2-NZ 2.78Å |
| 67 | R | 57.8 | Low | 76.7 | Confident | 189 Ų | 189 | 69.8 Ų | 69.8 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -14.7 | 176.7 | -64.7 | -176 | 177.1 | 176 | -14.2 | 113 | Q64 L65 | Q64-R67 HydrophobicContact CB-CB 4.39Å; Q64-R67 HydrophobicContact CB-CG 4.49Å; Q64-R67 WeakPolarHBondContact O-CA 3.26Å; Q64-R67 PolarHBondContact O-N 3.41Å; L65-R67 PolarHBondContact O-N 3.17Å |
| 68 | E | 60.6 | Low | 76.4 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -73.7 | 150.7 | 173.9 | -69.8 | -160.4 | -148.3 | 0 | 0 | 110.7 | Q64 L65 G70 R72 | Q64-E68 PolarHBondContact O-N 3.26Å; L65-E68 PolarHBondContact O-N 2.83Å; E68-G70 PolarHBondContact O-N 2.81Å; E68-R72 IonicContact OE1-CZ 3.05Å; E68-R72 IonicContact OE1-NH1 3.13Å; E68-R72 PolarHBondContact OE1-NH1 3.15Å; E68-R72 WeakPolarHBondContact OE2-CB 3.48Å; E68-R72 VanDerWaalsContact OE2-CD 3.29Å; E68-R72 WeakPolarHBondContact OE2-CD 3.4Å; E68-R72 WeakPolarHBondContact OE2-CG 3.38Å; E68-R72 IonicContact OE2-NE 3.12Å; E68-R72 IonicContact OE2-NH1 3.46Å |
| 69 | S | 56.8 | Low | 76.2 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | trans | -75.9 | 40.4 | -172.5 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | R71 P338 | S69-R71 PolarHBondContact O-N 2.86Å; S69-R71 VanDerWaalsContact O-N 3.14Å; S69-P338 WeakPolarHBondContact O-CA 3.3Å; S69-P338 WeakPolarHBondContact O-CB 3.17Å | ||
| 70 | G | 64.1 | Low | 76.2 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 66 | 8.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E68 | E68-G70 PolarHBondContact O-N 2.81Š|
| 71 | R | 79.4 | Confident | 76.2 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -70.3 | -46 | 178.8 | -161.8 | -179.9 | 69.8 | 82.8 | 2.3 | 112.1 | S69 I82 L83 H84 D90 S337 Y359 | S69-R71 PolarHBondContact O-N 2.86Å; S69-R71 VanDerWaalsContact O-N 3.14Å; R71-I82 WeakPolarHBondContact O-CA 3.41Å; R71-L83 PolarHBondContact O-N 2.95Å; R71-H84 PolarHBondContact NH1-O 2.91Å; R71-D90 IonicContact CZ-OD1 2.92Å; R71-D90 IonicContact CZ-OD2 2.7Å; R71-D90 IonicContact NH1-OD1 2.73Å; R71-D90 PolarHBondContact NH1-OD1 2.91Å; R71-D90 IonicContact NH1-OD2 3.57Å; R71-D90 PolarHBondContact NH1-OD2 3.06Å; R71-D90 IonicContact NH2-OD1 2.89Å; R71-D90 PolarHBondContact NH2-OD1 3.41Å; R71-D90 IonicContact NH2-OD2 2.72Å; R71-D90 PolarHBondContact NH2-OD2 3.43Å; R71-S337 WeakPolarHBondContact CB-OG 3.25Å; R71-S337 VanDerWaalsContact CG-OG 3.26Å; R71-S337 WeakPolarHBondContact CG-OG 3.22Å; R71-Y359 WeakPolarHBondContact CD-OH 3.45Å |
| 72 | R | 83.6 | Confident | 76.2 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.4 | 169.5 | -55.8 | -171.9 | -178.6 | 137.9 | -14.6 | 108.2 | L63 L65 E68 L80 Q81 I82 L89 D90 Y94 | L63-R72 VanDerWaalsContact CD2-NH1 3.33Å; L65-R72 HydrophobicContact CD2-CB 3.67Å; E68-R72 IonicContact OE1-CZ 3.05Å; E68-R72 IonicContact OE1-NH1 3.13Å; E68-R72 PolarHBondContact OE1-NH1 3.15Å; E68-R72 WeakPolarHBondContact OE2-CB 3.48Å; E68-R72 VanDerWaalsContact OE2-CD 3.29Å; E68-R72 WeakPolarHBondContact OE2-CD 3.4Å; E68-R72 WeakPolarHBondContact OE2-CG 3.38Å; E68-R72 IonicContact OE2-NE 3.12Å; E68-R72 IonicContact OE2-NH1 3.46Å; R72-L80 HydrophobicContact CB-CD1 4.27Å; R72-Q81 CarbonylContact C-O 3.58Å; R72-Q81 VanDerWaalsContact CA-O 3.28Å; R72-Q81 WeakPolarHBondContact CA-O 3.26Å; R72-I82 HydrophobicContact CB-CG1 4.42Å; R72-I82 HydrophobicContact CG-CB 4.46Å; R72-I82 HydrophobicContact CG-CD1 3.96Å; R72-I82 HydrophobicContact CG-CG1 3.88Å; R72-I82 HydrophobicContact CG-CG2 4.16Å; R72-L89 PolarHBondContact NH2-O 2.78Å; R72-D90 IonicContact CZ-OD1 2.84Å; R72-D90 VanDerWaalsContact CZ-OD1 3.26Å; R72-D90 IonicContact NE-OD1 2.61Å; R72-D90 PolarHBondContact NE-OD1 2.82Å; R72-D90 IonicContact NH2-OD1 3.94Å; R72-D90 PolarHBondContact NH2-OD1 3.05Å; R72-Y94 PolarHBondContact NH2-OH 3.42Å |
| 73 | Y | 80.2 | Confident | 75.8 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.5 | 172 | 57.2 | -100.9 | 0 | 0 | 0 | 111.8 | Q81 L83 | Y73-Q81 HydrophobicContact CD2-CB 4.11Å; Y73-Q81 HydrophobicContact CE1-CB 4.48Å; Y73-Q81 HydrophobicContact CE2-CB 3.58Å; Y73-Q81 HydrophobicContact CE2-CG 4.11Å; Y73-Q81 PolarHBondContact N-O 2.84Å; Y73-Q81 PolarHBondContact O-N 2.87Å; Y73-Q81 PolarHBondContact OH-OE1 3.48Å; Y73-L83 HydrophobicContact CE1-CD1 3.97Å; Y73-L83 HydrophobicContact CE1-CD2 3.85Å; Y73-L83 HydrophobicContact CE1-CG 3.72Å |
| 74 | L | 78.8 | Confident | 75.5 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.3 | 172.5 | -159 | 72.3 | 0 | 0 | 0 | 108.7 | W56 L65 S78 | W56-L74 VanDerWaalsContact CD1-CD1 3.47Å; L65-L74 HydrophobicContact CD1-CB 4.01Å; L65-L74 HydrophobicContact CD1-CD1 4.46Å; L74-S78 WeakPolarHBondContact CD1-O 3.27Å |
| 75 | E | 75.8 | Confident | 75.9 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | trans | -71.9 | 157.8 | 166.3 | -169.5 | 169.3 | -143.9 | 0 | 0 | 109.9 | R41 D77 S78 N79 Q81 | R41-E75 IonicContact CZ-OE1 3.7Å; R41-E75 IonicContact CZ-OE2 3.9Å; R41-E75 IonicContact NE-OE1 2.7Å; R41-E75 IonicContact NE-OE2 3.52Å; R41-E75 PolarHBondContact NE-OE2 3.5Å; R41-E75 IonicContact NH2-OE1 2.72Å; R41-E75 PolarHBondContact NH2-OE1 2.82Å; R41-E75 IonicContact NH2-OE2 3.42Å; R41-E75 PolarHBondContact NH2-OE2 2.81Å; E75-D77 PolarHBondContact O-N 2.8Å; E75-D77 VanDerWaalsContact O-N 3.09Å; E75-S78 PolarHBondContact O-N 3.28Å; E75-N79 HydrophobicContact CB-CB 4.14Å; E75-N79 WeakPolarHBondContact CB-O 3.35Å; E75-N79 PolarHBondContact N-O 3.4Å; E75-N79 VanDerWaalsContact OE2-CB 3.32Å; E75-N79 WeakPolarHBondContact OE2-CB 3.25Å; E75-N79 PolarHBondContact OE2-ND2 2.85Å; E75-Q81 PolarHBondContact OE1-NE2 3.26Å; E75-Q81 PolarHBondContact OE2-NE2 2.88Å | ||
| 76 | V | 69.4 | Low | 76.5 | Confident | 114 Ų | 114 | 47.5 Ų | 47.5 | 69% | 0.691 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.3 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | S78 L1087 | V76-S78 PolarHBondContact O-N 3.35Å; V76-L1087 HydrophobicContact CG1-CD2 4.2Å; V76-L1087 HydrophobicContact CG2-CD2 4.04Å |
| 77 | D | 69.7 | Low | 77.5 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 20.7 | -179.6 | -36.1 | -52.7 | 0 | 0 | 0 | 113.9 | C44 E75 N79 | C44-D77 VanDerWaalsContact O-O 3.09Å; E75-D77 PolarHBondContact O-N 2.8Å; E75-D77 VanDerWaalsContact O-N 3.09Å; D77-N79 VanDerWaalsContact C-N 3.27Å; D77-N79 PolarHBondContact O-N 3.46Å |
| 78 | S | 83.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 70.4 | -1 | -179.2 | 83.3 | 0 | 0 | 0 | 0 | 118.2 | C44 Y54 W56 L74 E75 V76 | C44-S78 PolarHBondContact O-OG 3.33Å; Y54-S78 VanDerWaalsContact CD1-CB 3.41Å; Y54-S78 WeakPolarHBondContact CE1-OG 3.28Å; W56-S78 PolarHBondContact NE1-O 3.49Å; L74-S78 WeakPolarHBondContact CD1-O 3.27Å; E75-S78 PolarHBondContact O-N 3.28Å; V76-S78 PolarHBondContact O-N 3.35Å |
| 79 | N | 90 | Very high | 79.7 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | trans | -64.8 | 138.5 | 174.4 | -47.4 | -60 | 0 | 0 | 0 | 110.5 | R41 L42 R43 C44 E75 D77 | R41-N79 HydrophobicContact CG-CB 4.47Å; L42-N79 CarbonylContact O-C 3.54Å; L42-N79 VanDerWaalsContact O-CA 3.3Å; L42-N79 WeakPolarHBondContact O-CA 3.42Å; L42-N79 WeakPolarHBondContact O-CB 3.42Å; R43-N79 WeakPolarHBondContact CA-OD1 3.08Å; R43-N79 WeakPolarHBondContact CB-OD1 3.32Å; C44-N79 PolarHBondContact N-OD1 2.8Å; C44-N79 VanDerWaalsContact N-OD1 3.12Å; C44-N79 PolarHBondContact O-OD1 2.77Å; E75-N79 HydrophobicContact CB-CB 4.14Å; E75-N79 WeakPolarHBondContact CB-O 3.35Å; E75-N79 PolarHBondContact N-O 3.4Å; E75-N79 VanDerWaalsContact OE2-CB 3.32Å; E75-N79 WeakPolarHBondContact OE2-CB 3.25Å; E75-N79 PolarHBondContact OE2-ND2 2.85Å; D77-N79 VanDerWaalsContact C-N 3.27Å; D77-N79 PolarHBondContact O-N 3.46Å | ||
| 80 | L | 91.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.3 | 170.6 | -179.6 | 65.3 | 0 | 0 | 0 | 109 | R41 L42 W56 L63 L65 R72 I82 Y94 | R41-L80 WeakPolarHBondContact CA-O 3.17Å; L42-L80 HydrophobicContact CB-CB 4.39Å; L42-L80 HydrophobicContact CD1-CD2 4.46Å; L42-L80 PolarHBondContact N-O 3.45Å; L42-L80 PolarHBondContact O-N 3.34Å; W56-L80 HydrophobicContact CB-CD2 4.28Å; W56-L80 HydrophobicContact CD2-CB 3.77Å; W56-L80 HydrophobicContact CD2-CD2 4.12Å; W56-L80 HydrophobicContact CE3-CB 4.28Å; W56-L80 HydrophobicContact CE3-CD2 4.21Å; W56-L80 HydrophobicContact CG-CB 4.09Å; W56-L80 HydrophobicContact CG-CD2 4.16Å; W56-L80 HydrophobicContact CH2-CB 4.42Å; W56-L80 HydrophobicContact CZ2-CB 3.93Å; L63-L80 HydrophobicContact CD1-CD1 4.43Å; L63-L80 HydrophobicContact CD1-CD2 3.72Å; L65-L80 HydrophobicContact CD1-CD1 3.94Å; L65-L80 HydrophobicContact CD2-CD1 3.86Å; R72-L80 HydrophobicContact CB-CD1 4.27Å; L80-I82 HydrophobicContact CD2-CD1 4.44Å; L80-I82 HydrophobicContact CG-CG1 4.35Å; L80-Y94 HydrophobicContact CD2-CD1 3.74Å; L80-Y94 HydrophobicContact CD2-CE1 3.74Å |
| 81 | Q | 88.8 | Confident | 82.6 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.1 | 170.8 | -68.3 | -171.8 | 15.6 | 0 | 0 | 110.3 | L40 R41 R72 Y73 E75 | L40-Q81 WeakPolarHBondContact O-CA 3.33Å; R41-Q81 HydrophobicContact CB-CG 4.28Å; R41-Q81 HydrophobicContact CG-CG 3.87Å; R72-Q81 CarbonylContact C-O 3.58Å; R72-Q81 VanDerWaalsContact CA-O 3.28Å; R72-Q81 WeakPolarHBondContact CA-O 3.26Å; Y73-Q81 HydrophobicContact CD2-CB 4.11Å; Y73-Q81 HydrophobicContact CE1-CB 4.48Å; Y73-Q81 HydrophobicContact CE2-CB 3.58Å; Y73-Q81 HydrophobicContact CE2-CG 4.11Å; Y73-Q81 PolarHBondContact N-O 2.84Å; Y73-Q81 PolarHBondContact O-N 2.87Å; Y73-Q81 PolarHBondContact OH-OE1 3.48Å; E75-Q81 PolarHBondContact OE1-NE2 3.26Å; E75-Q81 PolarHBondContact OE2-NE2 2.88Å |
| 82 | I | 88.1 | Confident | 83.3 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.3 | 176.1 | -51 | -166.8 | 0 | 0 | 0 | 106.6 | P39 L40 R71 R72 L80 H84 Y94 | P39-I82 WeakPolarHBondContact CA-O 3.44Å; L40-I82 HydrophobicContact CB-CB 4.23Å; L40-I82 HydrophobicContact CD2-CD1 4.03Å; L40-I82 HydrophobicContact CG-CB 4.5Å; L40-I82 PolarHBondContact N-O 2.88Å; L40-I82 PolarHBondContact O-N 3.29Å; R71-I82 WeakPolarHBondContact O-CA 3.41Å; R72-I82 HydrophobicContact CB-CG1 4.42Å; R72-I82 HydrophobicContact CG-CB 4.46Å; R72-I82 HydrophobicContact CG-CD1 3.96Å; R72-I82 HydrophobicContact CG-CG1 3.88Å; R72-I82 HydrophobicContact CG-CG2 4.16Å; L80-I82 HydrophobicContact CD2-CD1 4.44Å; L80-I82 HydrophobicContact CG-CG1 4.35Å; I82-H84 PolarHBondContact O-N 3.48Å; I82-Y94 HydrophobicContact CD1-CE1 4.36Å |
| 83 | L | 78.3 | Confident | 83.9 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -71 | -31.3 | -170.2 | -72.3 | 177.5 | 0 | 0 | 0 | 114.2 | R71 Y73 | R71-L83 PolarHBondContact O-N 2.95Å; Y73-L83 HydrophobicContact CE1-CD1 3.97Å; Y73-L83 HydrophobicContact CE1-CD2 3.85Å; Y73-L83 HydrophobicContact CE1-CG 3.72Å |
| 84 | H | 79.7 | Confident | 84.6 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -143.3 | 111.4 | -179.9 | -64.7 | -70.4 | 0 | 0 | 0 | 108 | G37 R71 I82 D86 S334 R339 Y359 | G37-H84 PolarHBondContact O-ND1 3.31Å; R71-H84 PolarHBondContact NH1-O 2.91Å; I82-H84 PolarHBondContact O-N 3.48Å; H84-D86 PolarHBondContact O-N 3.48Å; H84-S334 PolarHBondContact NE2-O 3.31Å; H84-R339 PolarHBondContact CE1-NH2 3.07Å; H84-R339 VanDerWaalsContact CE1-NH2 3.27Å; H84-R339 PolarHBondContact NE2-NE 3.46Å; H84-R339 PolarHBondContact NE2-NH2 2.89Å; H84-Y359 HydrophobicContact CB-CD1 4.09Å; H84-Y359 HydrophobicContact CB-CD2 3.64Å; H84-Y359 HydrophobicContact CB-CE1 4.36Å; H84-Y359 HydrophobicContact CB-CE2 3.9Å; H84-Y359 HydrophobicContact CB-CG 3.72Å; H84-Y359 AromaticContact CG-CD2 3.83Å |
| 85 | A | 84.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -62.9 | 123.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V34 E35 G37 Q38 D90 I116 | V34-A85 HydrophobicContact CG1-CB 4.11Å; E35-A85 WeakPolarHBondContact O-CB 3.49Å; G37-A85 PolarHBondContact N-O 3.46Å; Q38-A85 WeakPolarHBondContact O-CB 3.39Å; Q38-A85 PolarHBondContact O-N 2.84Å; A85-D90 WeakPolarHBondContact CA-OD2 3.3Å; A85-I116 HydrophobicContact CB-CD1 3.8Å; A85-I116 HydrophobicContact CB-CG1 4.41Å; A85-I116 HydrophobicContact CB-CG2 4.23Å | ||
| 86 | D | 83.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -107.2 | 124.1 | -175.5 | -176 | -64.6 | 0 | 0 | 0 | 110.1 | H84 E88 L89 D90 P91 R357 Y359 | H84-D86 PolarHBondContact O-N 3.48Å; D86-E88 PolarHBondContact O-N 2.83Å; D86-E88 PolarHBondContact OD1-N 3.12Å; D86-L89 HydrophobicContact CB-CB 4.02Å; D86-L89 HydrophobicContact CB-CG 4.4Å; D86-L89 PolarHBondContact O-N 3.01Å; D86-L89 PolarHBondContact OD1-N 3.18Å; D86-D90 PolarHBondContact N-OD2 3.37Å; D86-D90 PolarHBondContact O-N 2.75Å; D86-D90 VanDerWaalsContact O-N 3.13Å; D86-P91 WeakPolarHBondContact O-CD 3.16Å; D86-R357 IonicContact OD1-NH1 3.85Å; D86-R357 PolarHBondContact OD1-NH1 3.48Å; D86-R357 WeakPolarHBondContact OD2-CD 3.31Å; D86-R357 IonicContact OD2-CZ 2.75Å; D86-R357 IonicContact OD2-NE 3.74Å; D86-R357 IonicContact OD2-NH1 3.76Å; D86-R357 PolarHBondContact OD2-NH1 2.83Å; D86-Y359 HydrophobicContact CB-CE1 3.97Å; D86-Y359 WeakPolarHBondContact OD2-CE1 3.47Å; D86-Y359 PolarHBondContact OD2-OH 3.14Å | ||
| 87 | R | 83.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 13% | 0.125 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10 | -173.6 | 73.9 | 162.3 | 75.6 | 174.5 | 2.5 | 114.9 | E36 I116 W118 | E36-R87 VanDerWaalsContact CD-NE 3.25Å; E36-R87 HydrophobicContact CG-CB 4.39Å; E36-R87 WeakPolarHBondContact OE1-CG 3.46Å; E36-R87 IonicContact OE1-CZ 3.48Å; E36-R87 IonicContact OE1-NE 2.7Å; E36-R87 PolarHBondContact OE1-NE 3.21Å; E36-R87 VanDerWaalsContact OE1-NE 3.16Å; E36-R87 IonicContact OE1-NH2 3.5Å; E36-R87 IonicContact OE2-CZ 2.71Å; E36-R87 IonicContact OE2-NE 3.7Å; E36-R87 PolarHBondContact OE2-NE 3.43Å; E36-R87 IonicContact OE2-NH2 3.58Å; E36-R87 PolarHBondContact OE2-NH2 2.76Å; R87-I116 HydrophobicContact CB-CG2 4.31Å; R87-W118 HydrophobicContact CB-CG 4.27Å; R87-W118 VanDerWaalsContact CZ-CD2 3.5Å |
| 88 | E | 79.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 23.3 Ų | 23.3 | 39% | 0.388 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -37.8 | 176.9 | -55.9 | -172.7 | 154.2 | 0 | 0 | 112.6 | D86 R419 | D86-E88 PolarHBondContact O-N 2.83Å; D86-E88 PolarHBondContact OD1-N 3.12Å; E88-R419 IonicContact OE1-CZ 3.79Å; E88-R419 IonicContact OE1-NH1 3.65Å; E88-R419 PolarHBondContact OE1-NH1 2.92Å; E88-R419 IonicContact OE1-NH2 2.78Å; E88-R419 PolarHBondContact OE1-NH2 2.8Å |
| 89 | L | 84.4 | Confident | 88.6 | Confident | 65 Ų | 65 | 25.9 Ų | 25.9 | 34% | 0.34 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -30.2 | -172.3 | -60.9 | -179.2 | 0 | 0 | 0 | 114.5 | H58 R72 D86 | H58-L89 PolarHBondContact CE1-O 3.25Å; R72-L89 PolarHBondContact NH2-O 2.78Å; D86-L89 HydrophobicContact CB-CB 4.02Å; D86-L89 HydrophobicContact CB-CG 4.4Å; D86-L89 PolarHBondContact O-N 3.01Å; D86-L89 PolarHBondContact OD1-N 3.18Å |
| 90 | D | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -99.2 | -21.8 | -171.8 | -62.3 | -41.1 | 0 | 0 | 0 | 117.6 | R71 R72 A85 D86 G92 Y94 I116 | R71-D90 IonicContact CZ-OD1 2.92Å; R71-D90 IonicContact CZ-OD2 2.7Å; R71-D90 IonicContact NH1-OD1 2.73Å; R71-D90 PolarHBondContact NH1-OD1 2.91Å; R71-D90 IonicContact NH1-OD2 3.57Å; R71-D90 PolarHBondContact NH1-OD2 3.06Å; R71-D90 IonicContact NH2-OD1 2.89Å; R71-D90 PolarHBondContact NH2-OD1 3.41Å; R71-D90 IonicContact NH2-OD2 2.72Å; R71-D90 PolarHBondContact NH2-OD2 3.43Å; R72-D90 IonicContact CZ-OD1 2.84Å; R72-D90 VanDerWaalsContact CZ-OD1 3.26Å; R72-D90 IonicContact NE-OD1 2.61Å; R72-D90 PolarHBondContact NE-OD1 2.82Å; R72-D90 IonicContact NH2-OD1 3.94Å; R72-D90 PolarHBondContact NH2-OD1 3.05Å; A85-D90 WeakPolarHBondContact CA-OD2 3.3Å; D86-D90 PolarHBondContact N-OD2 3.37Å; D86-D90 PolarHBondContact O-N 2.75Å; D86-D90 VanDerWaalsContact O-N 3.13Å; D90-G92 PolarHBondContact O-N 3.41Å; D90-Y94 VanDerWaalsContact O-CE2 3.32Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 2.89Å; D90-Y94 PolarHBondContact OD1-OH 3.3Å; D90-I116 HydrophobicContact CB-CD1 4.16Å; D90-I116 HydrophobicContact CB-CG1 3.99Å |
| 91 | P | 91.9 | Very high | 87.8 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | trans | -55.4 | 135.7 | 173.1 | -26.6 | 35.1 | 0 | 0 | 0 | 112.3 | H58 D86 V114 I116 | H58-P91 PolarHBondContact NE2-O 2.84Å; H58-P91 VanDerWaalsContact NE2-O 3.13Å; D86-P91 WeakPolarHBondContact O-CD 3.16Å; P91-V114 WeakPolarHBondContact CA-O 3.26Å; P91-I116 HydrophobicContact CG-CB 4.25Å; P91-I116 HydrophobicContact CG-CG1 4.03Å | ||
| 92 | G | 93.4 | Very high | 87.3 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | -168.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N59 D90 K113 V114 | N59-G92 WeakPolarHBondContact OD1-CA 3.31Å; D90-G92 PolarHBondContact O-N 3.41Å; G92-K113 WeakPolarHBondContact O-CA 3.18Å; G92-V114 PolarHBondContact N-O 3.07Å; G92-V114 VanDerWaalsContact N-O 3.12Å; G92-V114 PolarHBondContact O-N 2.82Å |
| 93 | T | 96 | Very high | 86.8 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 140.2 | 170.4 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | H58 N59 E111 A112 | H58-T93 CarbonylContact C-O 3.57Å; H58-T93 WeakPolarHBondContact CA-O 3.3Å; N59-T93 PolarHBondContact N-O 3.43Å; N59-T93 PolarHBondContact OD1-N 2.8Å; T93-E111 VanDerWaalsContact CB-OE2 3.29Å; T93-E111 WeakPolarHBondContact CB-OE2 3.39Å; T93-E111 PolarHBondContact OG1-OE2 3.06Å; T93-A112 CarbonylContact C-O 3.52Å; T93-A112 WeakPolarHBondContact CA-O 3.27Å |
| 94 | Y | 96.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.4 | 177.3 | -74.2 | -97.3 | 0 | 0 | 0 | 110.7 | L42 L57 H58 L63 R72 L80 I82 D90 E111 A112 V114 | L42-Y94 VanDerWaalsContact CD1-CB 3.47Å; L42-Y94 HydrophobicContact CD1-CD1 3.8Å; L42-Y94 HydrophobicContact CD1-CD2 3.89Å; L42-Y94 HydrophobicContact CD1-CE1 4.48Å; L42-Y94 HydrophobicContact CD1-CG 3.45Å; L42-Y94 VanDerWaalsContact CD1-CG 3.45Å; L57-Y94 VanDerWaalsContact O-CA 3.3Å; L57-Y94 WeakPolarHBondContact O-CA 3.31Å; H58-Y94 HydrophobicContact CB-CD1 4.11Å; H58-Y94 HydrophobicContact CB-CE1 3.85Å; H58-Y94 AromaticContact CD2-CD2 3.92Å; H58-Y94 AromaticContact CD2-CE1 3.74Å; H58-Y94 AromaticContact CD2-CE2 3.4Å; H58-Y94 WeakPolarHBondContact CD2-CE2 3.47Å; H58-Y94 AromaticContact CD2-CZ 3.29Å; H58-Y94 AromaticContact CG-CE1 3.9Å; H58-Y94 AromaticContact CG-CZ 3.83Å; H58-Y94 AromaticContact NE2-CE2 3.85Å; H58-Y94 AromaticContact NE2-CZ 3.8Å; L63-Y94 HydrophobicContact CD1-CD1 4.36Å; L63-Y94 HydrophobicContact CD1-CE1 4.03Å; R72-Y94 PolarHBondContact NH2-OH 3.42Å; L80-Y94 HydrophobicContact CD2-CD1 3.74Å; L80-Y94 HydrophobicContact CD2-CE1 3.74Å; I82-Y94 HydrophobicContact CD1-CE1 4.36Å; D90-Y94 VanDerWaalsContact O-CE2 3.32Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 2.89Å; D90-Y94 PolarHBondContact OD1-OH 3.3Å; Y94-E111 CarbonylContact O-C 3.59Å; Y94-E111 WeakPolarHBondContact O-CA 3.29Å; Y94-A112 PolarHBondContact N-O 2.82Å; Y94-A112 PolarHBondContact O-N 2.92Å; Y94-V114 HydrophobicContact CD2-CB 3.96Å; Y94-V114 HydrophobicContact CD2-CG2 3.54Å; Y94-V114 HydrophobicContact CE2-CB 3.77Å; Y94-V114 HydrophobicContact CE2-CG1 4.33Å; Y94-V114 HydrophobicContact CE2-CG2 3.69Å |
| 95 | Q | 94.3 | Very high | 86.8 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 135.1 | 178.4 | -159.1 | -177 | 32.8 | 0 | 0 | 110.7 | W56 L57 A108 S109 E111 | W56-Q95 CarbonylContact C-O 3.4Å; W56-Q95 WeakPolarHBondContact CA-O 3.29Å; L57-Q95 HydrophobicContact CB-CB 4.21Å; L57-Q95 HydrophobicContact CD1-CB 4.3Å; L57-Q95 HydrophobicContact CG-CB 4.5Å; L57-Q95 PolarHBondContact N-O 3.5Å; L57-Q95 PolarHBondContact O-N 2.8Å; L57-Q95 VanDerWaalsContact O-N 3.1Å; Q95-A108 HydrophobicContact CG-CB 4.22Å; Q95-S109 WeakPolarHBondContact CG-O 3.34Å; Q95-S109 PolarHBondContact NE2-O 2.89Å; Q95-E111 HydrophobicContact CB-CG 4.24Å; Q95-E111 HydrophobicContact CG-CG 4.15Å |
| 96 | C | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.9 | 176 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | F25 C44 W56 A108 S109 | F25-C96 HydrophobicContact CE1-CB 4.44Å; C44-C96 HydrophobicContact CB-CB 3.71Å; C44-C96 WeakPolarHBondContact CB-SG 3.27Å; C44-C96 WeakPolarHBondContact SG-CB 3.28Å; C44-C96 CovalentContact SG-SG 2.04Å; C44-C96 PolarHBondContact SG-SG 2.89Å; W56-C96 HydrophobicContact CD2-CB 4.17Å; W56-C96 HydrophobicContact CE3-CB 4.21Å; W56-C96 HydrophobicContact CH2-CB 4Å; W56-C96 HydrophobicContact CZ2-CB 3.95Å; W56-C96 HydrophobicContact CZ3-CB 4.13Å; C96-A108 CarbonylContact O-C 3.57Å; C96-A108 WeakPolarHBondContact O-CA 3.34Å; C96-S109 PolarHBondContact N-OG 2.8Å; C96-S109 PolarHBondContact O-N 2.79Å |
| 97 | Q | 92.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.1 | 170.2 | -70.9 | -174.1 | -22.4 | 0 | 0 | 110.1 | Y54 S55 L57 A108 | Y54-Q97 CarbonylContact C-O 3.57Å; Y54-Q97 WeakPolarHBondContact CA-O 3.4Å; S55-Q97 PolarHBondContact N-O 2.81Å; S55-Q97 PolarHBondContact O-N 3.31Å; S55-Q97 VanDerWaalsContact O-O 3.11Å; L57-Q97 HydrophobicContact CD1-CG 4.29Å; L57-Q97 HydrophobicContact CD2-CG 4.48Å; L57-Q97 HydrophobicContact CG-CG 4.13Å; Q97-A108 HydrophobicContact CG-CB 4.18Å |
| 98 | A | 90.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F23 F25 V46 I52 Y53 Y54 T106 T107 | F23-A98 HydrophobicContact CD2-CB 4.48Å; F23-A98 HydrophobicContact CE2-CB 3.5Å; F23-A98 HydrophobicContact CZ-CB 3.84Å; F25-A98 HydrophobicContact CE1-CB 4.23Å; F25-A98 HydrophobicContact CZ-CB 4.04Å; V46-A98 HydrophobicContact CG1-CB 4.01Å; I52-A98 HydrophobicContact CG2-CB 4Å; Y53-A98 CarbonylContact O-C 3.59Å; Y53-A98 WeakPolarHBondContact O-CA 3.46Å; Y54-A98 HydrophobicContact CD1-CB 3.88Å; Y54-A98 HydrophobicContact CE1-CB 4.12Å; A98-T106 WeakPolarHBondContact O-CA 3.24Å; A98-T107 PolarHBondContact N-O 2.81Å; A98-T107 PolarHBondContact O-N 3.34Å; A98-T107 VanDerWaalsContact O-N 3.07Å |
| 99 | L | 88.1 | Confident | 88.1 | Confident | 54 Ų | 54 | 48.5 Ų | 48.5 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.2 | -176.1 | 164 | 65.2 | 0 | 0 | 0 | 109 | I52 Y53 R101 F105 T106 | I52-L99 CarbonylContact C-O 3.54Å; I52-L99 WeakPolarHBondContact CA-O 3.48Å; Y53-L99 HydrophobicContact CD1-CB 4.37Å; Y53-L99 HydrophobicContact CD1-CD2 4.28Å; Y53-L99 PolarHBondContact N-O 2.87Å; Y53-L99 PolarHBondContact O-N 3.29Å; L99-R101 PolarHBondContact O-N 2.89Å; L99-F105 WeakPolarHBondContact CA-O 3.06Å; L99-T106 HydrophobicContact CB-CG2 4.01Å; L99-T106 HydrophobicContact CD1-CG2 3.49Å; L99-T106 VanDerWaalsContact CD1-CG2 3.49Å; L99-T106 HydrophobicContact CG-CG2 4.3Å |
| 100 | N | 84.6 | Confident | 88.5 | Confident | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.1 | 166.7 | 177.9 | -18.5 | 0 | 0 | 0 | 108.4 | F23 I52 S102 S103 T104 F105 | F23-N100 HydrophobicContact CD1-CB 3.99Å; F23-N100 HydrophobicContact CE1-CB 3.66Å; I52-N100 HydrophobicContact CD1-CB 4Å; N100-S102 PolarHBondContact O-N 2.81Å; N100-S102 WeakPolarHBondContact OD1-CA 3.46Å; N100-S102 WeakPolarHBondContact OD1-CB 3.44Å; N100-S102 PolarHBondContact OD1-N 3.33Å; N100-S103 WeakPolarHBondContact CB-OG 3.26Å; N100-S103 PolarHBondContact ND2-OG 3.22Å; N100-S103 VanDerWaalsContact ND2-OG 3.12Å; N100-S103 PolarHBondContact OD1-N 2.72Å; N100-T104 WeakPolarHBondContact O-CA 3.25Å; N100-T104 PolarHBondContact O-N 3.2Å; N100-F105 PolarHBondContact N-O 2.91Å |
| 101 | R | 80 | Confident | 88.7 | Confident | 166 Ų | 166 | 58.3 Ų | 58.3 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -27.5 | -178.3 | -62.7 | 176.9 | -153.3 | -150.8 | 6.1 | 112.7 | D51 I52 L99 | D51-R101 WeakPolarHBondContact O-CB 3.22Å; D51-R101 VanDerWaalsContact O-CG 3.26Å; D51-R101 WeakPolarHBondContact O-CG 3.04Å; D51-R101 PolarHBondContact O-N 2.61Å; I52-R101 PolarHBondContact O-NH2 3.46Å; L99-R101 PolarHBondContact O-N 2.89Å |
| 102 | S | 78.8 | Confident | 88.9 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -33.8 | -172.9 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | D51 N100 | D51-S102 WeakPolarHBondContact CB-OG 3.44Å; D51-S102 PolarHBondContact OD2-OG 2.61Å; N100-S102 PolarHBondContact O-N 2.81Å; N100-S102 WeakPolarHBondContact OD1-CA 3.46Å; N100-S102 WeakPolarHBondContact OD1-CB 3.44Å; N100-S102 PolarHBondContact OD1-N 3.33Å |
| 103 | S | 77.1 | Confident | 89 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -9.1 | 179.1 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | N100 F105 | N100-S103 WeakPolarHBondContact CB-OG 3.26Å; N100-S103 PolarHBondContact ND2-OG 3.22Å; N100-S103 VanDerWaalsContact ND2-OG 3.12Å; N100-S103 PolarHBondContact OD1-N 2.72Å; S103-F105 PolarHBondContact O-N 2.93Å; S103-F105 WeakPolarHBondContact OG-CB 3.35Å; S103-F105 PolarHBondContact OG-N 2.93Å |
| 104 | T | 76.4 | Confident | 89 | Confident | 110 Ų | 110 | 58 Ų | 58 | 68% | 0.675 | 29% | 0.294 | S | S | * | . | trans | 60.2 | 6.9 | -169 | 71.1 | 0 | 0 | 0 | 0 | 116 | N100 T106 | N100-T104 WeakPolarHBondContact O-CA 3.25Å; N100-T104 PolarHBondContact O-N 3.2Å; T104-T106 PolarHBondContact O-N 2.8Å | ||
| 105 | F | 81.7 | Confident | 88.7 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | trans | -61.5 | 131.7 | 174.3 | 179.8 | -105.1 | 0 | 0 | 0 | 112 | F23 L99 N100 S103 T107 | F23-F105 AromaticContact CD1-CD1 3.91Å; F23-F105 HydrophobicContact CD1-CD1 3.91Å; F23-F105 HydrophobicContact CD1-CE1 4.37Å; F23-F105 AromaticContact CE1-CD1 3.53Å; F23-F105 HydrophobicContact CE1-CD1 3.53Å; F23-F105 HydrophobicContact CE1-CE1 4.15Å; F23-F105 HydrophobicContact CZ-CD1 4.01Å; F23-F105 HydrophobicContact CZ-CE1 4.3Å; L99-F105 WeakPolarHBondContact CA-O 3.06Å; N100-F105 PolarHBondContact N-O 2.91Å; S103-F105 PolarHBondContact O-N 2.93Å; S103-F105 WeakPolarHBondContact OG-CB 3.35Å; S103-F105 PolarHBondContact OG-N 2.93Å; F105-T107 HydrophobicContact CE1-CG2 3.99Å; F105-T107 HydrophobicContact CZ-CG2 4.48Å | ||
| 106 | T | 84.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 57% | 0.571 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.8 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | A98 L99 T104 | A98-T106 WeakPolarHBondContact O-CA 3.24Å; L99-T106 HydrophobicContact CB-CG2 4.01Å; L99-T106 HydrophobicContact CD1-CG2 3.49Å; L99-T106 VanDerWaalsContact CD1-CG2 3.49Å; L99-T106 HydrophobicContact CG-CG2 4.3Å; T104-T106 PolarHBondContact O-N 2.8Å |
| 107 | T | 89.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 163.6 | 168 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | F23 F25 A98 F105 | F23-T107 HydrophobicContact CD2-CG2 3.98Å; F23-T107 HydrophobicContact CE2-CG2 3.28Å; F23-T107 HydrophobicContact CZ-CG2 3.8Å; F25-T107 HydrophobicContact CE2-CG2 3.77Å; F25-T107 HydrophobicContact CZ-CG2 4.44Å; A98-T107 PolarHBondContact N-O 2.81Å; A98-T107 PolarHBondContact O-N 3.34Å; A98-T107 VanDerWaalsContact O-N 3.07Å; F105-T107 HydrophobicContact CE1-CG2 3.99Å; F105-T107 HydrophobicContact CZ-CG2 4.48Å |
| 108 | A | 91.6 | Very high | 87.8 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F25 Q95 C96 Q97 | F25-A108 WeakPolarHBondContact CE2-O 3.27Å; Q95-A108 HydrophobicContact CG-CB 4.22Å; C96-A108 CarbonylContact O-C 3.57Å; C96-A108 WeakPolarHBondContact O-CA 3.34Å; Q97-A108 HydrophobicContact CG-CB 4.18Å |
| 109 | S | 93.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | trans | -70.7 | 176.4 | 179.7 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | F25 P29 Q95 C96 | F25-S109 VanDerWaalsContact CZ-N 3.34Å; P29-S109 WeakPolarHBondContact CD-OG 3.47Å; Q95-S109 WeakPolarHBondContact CG-O 3.34Å; Q95-S109 PolarHBondContact NE2-O 2.89Å; C96-S109 PolarHBondContact N-OG 2.8Å; C96-S109 PolarHBondContact O-N 2.79Å | ||
| 110 | R | 93.5 | Very high | 87 | Confident | 161 Ų | 161 | 59.6 Ų | 59.6 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | trans | -57.4 | 147.8 | 156.6 | -64 | -178.9 | -66.1 | 165.9 | 9.1 | 109.7 | ||||
| 111 | E | 93.5 | Very high | 86.5 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | trans | -71.3 | 152.5 | 167.9 | -67.5 | -174.5 | -145.1 | 0 | 0 | 110.3 | T93 Y94 Q95 | T93-E111 VanDerWaalsContact CB-OE2 3.29Å; T93-E111 WeakPolarHBondContact CB-OE2 3.39Å; T93-E111 PolarHBondContact OG1-OE2 3.06Å; Y94-E111 CarbonylContact O-C 3.59Å; Y94-E111 WeakPolarHBondContact O-CA 3.29Å; Q95-E111 HydrophobicContact CB-CG 4.24Å; Q95-E111 HydrophobicContact CG-CG 4.15Å | ||
| 112 | A | 95.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P29 N30 D31 T93 Y94 | P29-A112 HydrophobicContact CB-CB 3.61Å; P29-A112 HydrophobicContact CG-CB 3.89Å; N30-A112 VanDerWaalsContact C-CB 3.46Å; N30-A112 WeakPolarHBondContact O-CB 3.41Å; D31-A112 WeakPolarHBondContact OD1-CA 3.48Å; T93-A112 CarbonylContact C-O 3.52Å; T93-A112 WeakPolarHBondContact CA-O 3.27Å; Y94-A112 PolarHBondContact N-O 2.82Å; Y94-A112 PolarHBondContact O-N 2.92Å |
| 113 | K | 95.8 | Very high | 86.4 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130 | 176.1 | -163.1 | -174.4 | -176.2 | -143.3 | 0 | 110.9 | D31 Q32 G92 N115 | D31-K113 CarbonylContact C-O 3.55Å; D31-K113 WeakPolarHBondContact CA-O 3.49Å; D31-K113 WeakPolarHBondContact CB-O 3.2Å; D31-K113 PolarHBondContact OD1-N 2.85Å; Q32-K113 PolarHBondContact N-O 3.42Å; G92-K113 WeakPolarHBondContact O-CA 3.18Å; K113-N115 WeakPolarHBondContact CE-OD1 3.47Å; K113-N115 PolarHBondContact NZ-OD1 2.87Å |
| 114 | V | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 108.8 | Q32 L40 L42 P91 G92 Y94 I116 | Q32-V114 WeakPolarHBondContact O-CA 3.48Å; L40-V114 HydrophobicContact CD2-CG1 3.6Å; L40-V114 HydrophobicContact CD2-CG2 4.06Å; L42-V114 HydrophobicContact CD1-CG2 4.13Å; L42-V114 HydrophobicContact CD2-CG2 4.07Å; P91-V114 WeakPolarHBondContact CA-O 3.26Å; G92-V114 PolarHBondContact N-O 3.07Å; G92-V114 VanDerWaalsContact N-O 3.12Å; G92-V114 PolarHBondContact O-N 2.82Å; Y94-V114 HydrophobicContact CD2-CB 3.96Å; Y94-V114 HydrophobicContact CD2-CG2 3.54Å; Y94-V114 HydrophobicContact CE2-CB 3.77Å; Y94-V114 HydrophobicContact CE2-CG1 4.33Å; Y94-V114 HydrophobicContact CE2-CG2 3.69Å; V114-I116 HydrophobicContact CG1-CD1 3.58Å; V114-I116 HydrophobicContact CG1-CG1 4.44Å |
| 115 | N | 91.7 | Very high | 87.5 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.5 | 172.5 | -44.5 | -83.2 | 0 | 0 | 0 | 109.1 | Q32 D33 V34 K113 | Q32-N115 PolarHBondContact O-N 3.41Å; D33-N115 WeakPolarHBondContact CA-O 3.43Å; D33-N115 WeakPolarHBondContact OD1-CB 3.3Å; D33-N115 PolarHBondContact OD1-ND2 3.19Å; V34-N115 PolarHBondContact N-O 2.84Å; V34-N115 VanDerWaalsContact N-O 3.14Å; K113-N115 WeakPolarHBondContact CE-OD1 3.47Å; K113-N115 PolarHBondContact NZ-OD1 2.87Å |
| 116 | I | 90.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.5 | -179.6 | -54.6 | -46.1 | 0 | 0 | 0 | 110.4 | V34 E36 A85 R87 D90 P91 V114 N151 | V34-I116 HydrophobicContact CB-CD1 4.43Å; V34-I116 CarbonylContact O-C 3.6Å; V34-I116 VanDerWaalsContact O-CA 3.25Å; V34-I116 WeakPolarHBondContact O-CA 3.3Å; E36-I116 HydrophobicContact CB-CG2 4.08Å; A85-I116 HydrophobicContact CB-CD1 3.8Å; A85-I116 HydrophobicContact CB-CG1 4.41Å; A85-I116 HydrophobicContact CB-CG2 4.23Å; R87-I116 HydrophobicContact CB-CG2 4.31Å; D90-I116 HydrophobicContact CB-CD1 4.16Å; D90-I116 HydrophobicContact CB-CG1 3.99Å; P91-I116 HydrophobicContact CG-CB 4.25Å; P91-I116 HydrophobicContact CG-CG1 4.03Å; V114-I116 HydrophobicContact CG1-CD1 3.58Å; V114-I116 HydrophobicContact CG1-CG1 4.44Å; I116-N151 PolarHBondContact O-ND2 2.93Å |
| 117 | Y | 88.1 | Confident | 88.1 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.9 | -176.9 | -78.1 | 15.8 | 0 | 0 | 0 | 111.4 | D33 V34 E35 E36 N151 P152 A200 | D33-Y117 HydrophobicContact CB-CD1 4.24Å; D33-Y117 HydrophobicContact CB-CE1 3.6Å; D33-Y117 HydrophobicContact CB-CE2 4.21Å; D33-Y117 VanDerWaalsContact CG-CE1 3.48Å; D33-Y117 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y117 VanDerWaalsContact OD2-CZ 3.25Å; D33-Y117 PolarHBondContact OD2-OH 3.49Å; V34-Y117 PolarHBondContact O-N 2.92Å; E35-Y117 WeakPolarHBondContact CA-O 3.25Å; E36-Y117 PolarHBondContact N-O 2.79Å; Y117-N151 VanDerWaalsContact CA-O 3.26Å; Y117-N151 WeakPolarHBondContact CA-O 2.99Å; Y117-P152 HydrophobicContact CE1-CG 4.37Å; Y117-A200 HydrophobicContact CD2-CB 3.42Å; Y117-A200 VanDerWaalsContact CD2-CB 3.42Å; Y117-A200 HydrophobicContact CE2-CB 3.58Å |
| 118 | W | 83.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 20% | 0.197 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 160.5 | 178.2 | 58.3 | -97 | 0 | 0 | 0 | 113 | E36 R87 K149 A150 N151 H199 | E36-W118 HydrophobicContact CB-CB 4.33Å; R87-W118 HydrophobicContact CB-CG 4.27Å; R87-W118 VanDerWaalsContact CZ-CD2 3.5Å; W118-K149 HydrophobicContact CH2-CB 4.29Å; W118-K149 HydrophobicContact CZ3-CB 3.95Å; W118-K149 WeakPolarHBondContact CZ3-O 3.5Å; W118-A150 CarbonylContact O-C 3.49Å; W118-A150 VanDerWaalsContact O-CA 3.28Å; W118-A150 WeakPolarHBondContact O-CA 3.18Å; W118-A150 WeakPolarHBondContact O-CB 3.31Å; W118-N151 HydrophobicContact CD2-CB 4.06Å; W118-N151 HydrophobicContact CG-CB 4.24Å; W118-N151 HydrophobicContact CZ2-CB 3.96Å; W118-N151 PolarHBondContact N-O 2.64Å; W118-N151 VanDerWaalsContact NE1-CB 3.32Å; W118-N151 PolarHBondContact O-N 2.98Å; W118-H199 PolarHBondContact O-CE1 2.9Å; W118-H199 PolarHBondContact O-ND1 2.81Å |
| 119 | M | 82.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.5 | 169.2 | -173.7 | 161.3 | 59.7 | 0 | 0 | 109.2 | V148 K149 A150 L154 A197 H199 G202 L204 P364 | M119-V148 HydrophobicContact CG-CG2 3.62Å; M119-V148 HydrophobicContact SD-CG2 3.76Å; M119-K149 CarbonylContact C-O 3.48Å; M119-K149 WeakPolarHBondContact CA-O 3.41Å; M119-A150 HydrophobicContact CB-CB 4.3Å; M119-A150 HydrophobicContact CG-CB 4.23Å; M119-L154 HydrophobicContact SD-CD1 4.2Å; M119-A197 HydrophobicContact CE-CB 4.41Å; M119-A197 HydrophobicContact SD-CB 3.71Å; M119-H199 HydrophobicContact CB-CB 4.35Å; M119-H199 HydrophobicContact CE-CB 3.88Å; M119-H199 HydrophobicContact SD-CB 3.65Å; M119-G202 WeakPolarHBondContact CE-O 3.41Å; M119-L204 HydrophobicContact CE-CB 4.18Å; M119-L204 HydrophobicContact CE-CD1 3.92Å; M119-L204 HydrophobicContact CE-CG 3.87Å; M119-L204 HydrophobicContact CG-CD1 4.36Å; M119-P364 HydrophobicContact CB-CG 4.46Å; M119-P364 HydrophobicContact CE-CB 4.09Å; M119-P364 HydrophobicContact CE-CG 4.01Å |
| 120 | D | 79.2 | Confident | 87.7 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | trans | -89.1 | 134.9 | 178.8 | -156.5 | -52.2 | 0 | 0 | 0 | 110.7 | D122 K149 L204 | D120-D122 PolarHBondContact O-N 2.82Å; D120-D122 PolarHBondContact OD1-N 2.98Å; D120-D122 VanDerWaalsContact OD1-N 3.16Å; D120-K149 HydrophobicContact CB-CB 4Å; D120-K149 WeakPolarHBondContact CB-O 3.29Å; D120-K149 PolarHBondContact N-O 3.3Å; D120-L204 WeakPolarHBondContact O-CD1 3.33Å | ||
| 121 | P | 73.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 25% | 0.247 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -65.7 | -18.7 | 176.1 | 26.4 | -36 | 0 | 0 | 0 | 114.7 | V123 T377 | P121-V123 PolarHBondContact O-N 2.9Å; P121-T377 HydrophobicContact CB-CG2 4.45Å |
| 122 | D | 74.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 47.4 Ų | 47.4 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | trans | -78.4 | 96.9 | 170.3 | -177.4 | 13.7 | 0 | 0 | 0 | 110.4 | D120 H124 | D120-D122 PolarHBondContact O-N 2.82Å; D120-D122 PolarHBondContact OD1-N 2.98Å; D120-D122 VanDerWaalsContact OD1-N 3.16Å; D122-H124 IonicContact OD1-CE1 3.98Å; D122-H124 IonicContact OD1-CG 2.88Å; D122-H124 IonicContact OD1-ND1 3.41Å; D122-H124 PolarHBondContact OD1-ND1 3.42Å; D122-H124 IonicContact OD2-CE1 3.57Å; D122-H124 IonicContact OD2-ND1 3.7Å | ||
| 123 | V | 83.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | trans | -115.1 | 120.5 | 169.1 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | P121 N147 V148 L204 S206 R207 | P121-V123 PolarHBondContact O-N 2.9Å; V123-N147 WeakPolarHBondContact CA-O 3.39Å; V123-V148 HydrophobicContact CG1-CB 4.26Å; V123-V148 HydrophobicContact CG2-CB 3.97Å; V123-V148 HydrophobicContact CG2-CG2 3.86Å; V123-L204 HydrophobicContact CG2-CB 3.71Å; V123-L204 HydrophobicContact CG2-CD1 3.71Å; V123-L204 HydrophobicContact CG2-CG 4.39Å; V123-S206 CarbonylContact O-C 3.59Å; V123-S206 VanDerWaalsContact O-CA 3.22Å; V123-S206 WeakPolarHBondContact O-CA 3.36Å; V123-R207 PolarHBondContact O-N 3Å | ||
| 124 | H | 85.8 | Confident | 85 | Confident | 61 Ų | 61 | 48 Ų | 48 | 28% | 0.282 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.1 | 176.7 | 57.3 | -96.4 | 0 | 0 | 0 | 111.3 | D122 N147 | D122-H124 IonicContact OD1-CE1 3.98Å; D122-H124 IonicContact OD1-CG 2.88Å; D122-H124 IonicContact OD1-ND1 3.41Å; D122-H124 PolarHBondContact OD1-ND1 3.42Å; D122-H124 IonicContact OD2-CE1 3.57Å; D122-H124 IonicContact OD2-ND1 3.7Å; H124-N147 PolarHBondContact CD2-ND2 2.8Å; H124-N147 PolarHBondContact N-O 3.21Å; H124-N147 WeakPolarHBondContact NE2-CB 3.45Å; H124-N147 PolarHBondContact NE2-ND2 3.46Å; H124-N147 WeakPolarHBondContact O-CB 3.13Å; H124-N147 PolarHBondContact O-N 3.21Å |
| 125 | V | 90.2 | Very high | 84.4 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.2 | 172.7 | 169.6 | 0 | 0 | 0 | 0 | 108.8 | L144 T145 W161 C195 F210 | V125-L144 HydrophobicContact CG1-CB 4.17Å; V125-L144 HydrophobicContact CG1-CD1 4.37Å; V125-L144 HydrophobicContact CG1-CD2 4.42Å; V125-T145 WeakPolarHBondContact CA-O 3.38Å; V125-W161 HydrophobicContact CB-CZ3 4.34Å; V125-W161 HydrophobicContact CG1-CH2 3.92Å; V125-W161 HydrophobicContact CG1-CZ3 3.77Å; V125-W161 HydrophobicContact CG2-CH2 3.94Å; V125-W161 HydrophobicContact CG2-CZ3 3.56Å; V125-C195 HydrophobicContact CG2-CB 3.84Å; V125-F210 HydrophobicContact CB-CB 3.7Å; V125-F210 HydrophobicContact CB-CG 4.41Å; V125-F210 HydrophobicContact CG1-CB 3.48Å; V125-F210 VanDerWaalsContact CG1-CB 3.48Å; V125-F210 HydrophobicContact CG1-CD1 4.4Å; V125-F210 HydrophobicContact CG1-CD2 4.21Å; V125-F210 HydrophobicContact CG1-CG 3.8Å |
| 126 | S | 89.7 | Confident | 84.1 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.4 | 174.9 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | L144 T145 N147 | S126-L144 WeakPolarHBondContact O-CA 3.29Å; S126-T145 PolarHBondContact N-O 3.25Å; S126-T145 PolarHBondContact O-N 2.87Å; S126-T145 VanDerWaalsContact OG-CG2 3.24Å; S126-T145 WeakPolarHBondContact OG-CG2 3.49Å; S126-N147 WeakPolarHBondContact CB-ND2 3.41Å; S126-N147 PolarHBondContact OG-ND2 2.85Å; S126-N147 PolarHBondContact OG-OD1 2.92Å |
| 127 | L | 90 | Very high | 83.7 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.5 | -179.8 | -167.4 | 69.6 | 0 | 0 | 0 | 110.1 | K129 P130 R132 I136 V142 L144 F210 | L127-K129 VanDerWaalsContact CD1-O 3.29Å; L127-K129 WeakPolarHBondContact CD1-O 3.43Å; L127-P130 HydrophobicContact CD2-CG 4.38Å; L127-P130 WeakPolarHBondContact CD2-O 3.29Å; L127-P130 VanDerWaalsContact CG-O 3.24Å; L127-P130 WeakPolarHBondContact CG-O 3.39Å; L127-R132 VanDerWaalsContact CD2-O 3.3Å; L127-R132 WeakPolarHBondContact CD2-O 3.44Å; L127-I136 HydrophobicContact CD1-CD1 4.19Å; L127-I136 HydrophobicContact CD2-CD1 3.99Å; L127-I136 HydrophobicContact CD2-CG1 4.22Å; L127-V142 HydrophobicContact CD1-CG1 3.9Å; L127-L144 HydrophobicContact CD1-CD2 3.63Å; L127-F210 HydrophobicContact CB-CE2 4.19Å; L127-F210 HydrophobicContact CB-CZ 3.85Å; L127-F210 HydrophobicContact CD1-CE1 4.48Å; L127-F210 HydrophobicContact CD1-CZ 4.19Å; L127-F210 HydrophobicContact CG-CZ 4.44Å |
| 128 | V | 90.4 | Very high | 83.4 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -37.2 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | E143 T145 | V128-E143 HydrophobicContact CB-CB 4.26Å; V128-E143 HydrophobicContact CB-CG 4.24Å; V128-E143 PolarHBondContact N-O 3.12Å; V128-T145 HydrophobicContact CG2-CG2 3.47Å; V128-T145 VanDerWaalsContact CG2-CG2 3.47Å |
| 129 | K | 87.3 | Confident | 83.4 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 135.8 | 179 | -168.1 | 178.9 | 176.5 | 177 | 0 | 110.4 | L127 E141 V142 E143 | L127-K129 VanDerWaalsContact CD1-O 3.29Å; L127-K129 WeakPolarHBondContact CD1-O 3.43Å; K129-E141 HydrophobicContact CD-CB 4.37Å; K129-E141 HydrophobicContact CD-CG 4.23Å; K129-E141 IonicContact NZ-OE2 2.8Å; K129-E141 PolarHBondContact NZ-OE2 3.03Å; K129-V142 CarbonylContact O-C 3.58Å; K129-V142 VanDerWaalsContact O-CA 3.32Å; K129-V142 WeakPolarHBondContact O-CA 3.38Å; K129-E143 HydrophobicContact CB-CB 3.95Å; K129-E143 PolarHBondContact N-O 2.79Å; K129-E143 PolarHBondContact O-N 3.13Å |
| 130 | P | 87.7 | Confident | 83.6 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | S | Bend | cis | -59.4 | 171.7 | -16 | 27.9 | -34.8 | 0 | 0 | 0 | 111.8 | L127 R132 D135 I136 | L127-P130 HydrophobicContact CD2-CG 4.38Å; L127-P130 WeakPolarHBondContact CD2-O 3.29Å; L127-P130 VanDerWaalsContact CG-O 3.24Å; L127-P130 WeakPolarHBondContact CG-O 3.39Å; P130-R132 PolarHBondContact O-N 3.2Å; P130-D135 HydrophobicContact CB-CB 3.72Å; P130-D135 HydrophobicContact CG-CB 3.79Å; P130-I136 HydrophobicContact CG-CG1 3.77Å |
| 131 | S | 82.6 | Confident | 84.1 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -75.8 | -5.6 | -172 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 132 | R | 82.3 | Confident | 85 | Confident | 148 Ų | 148 | 56.4 Ų | 56.4 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -138.8 | 154.1 | 176.7 | -44.9 | -179.8 | -166.2 | 177.3 | 7.5 | 109.8 | L127 P130 E134 D135 | L127-R132 VanDerWaalsContact CD2-O 3.3Å; L127-R132 WeakPolarHBondContact CD2-O 3.44Å; P130-R132 PolarHBondContact O-N 3.2Å; R132-E134 WeakPolarHBondContact CD-OE2 3.45Å; R132-D135 WeakPolarHBondContact CB-OD2 3.34Å; R132-D135 WeakPolarHBondContact CG-OD2 3.28Å; R132-D135 PolarHBondContact O-N 2.92Å |
| 133 | Y | 81 | Confident | 85.9 | Confident | 27 Ų | 27 | 53 Ų | 53 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -66.7 | -42.9 | 176.7 | -175.5 | -100.3 | 0 | 0 | 0 | 110.2 | D135 I136 F210 L211 L222 I223 M224 V227 | Y133-D135 PolarHBondContact O-N 3.31Å; Y133-I136 HydrophobicContact CD2-CD1 3.89Å; Y133-I136 HydrophobicContact CE2-CD1 4.22Å; Y133-I136 WeakPolarHBondContact O-CG1 3.41Å; Y133-I136 PolarHBondContact O-N 3.4Å; Y133-I136 VanDerWaalsContact O-N 3.13Å; Y133-F210 HydrophobicContact CD2-CE1 4.49Å; Y133-F210 HydrophobicContact CD2-CZ 4Å; Y133-F210 HydrophobicContact CE2-CZ 4.41Å; Y133-L211 VanDerWaalsContact CE2-O 3.24Å; Y133-L211 WeakPolarHBondContact CE2-O 3.27Å; Y133-L211 PolarHBondContact OH-O 3.12Å; Y133-L222 HydrophobicContact CD1-CD2 3.34Å; Y133-L222 HydrophobicContact CD1-CG 4.21Å; Y133-L222 HydrophobicContact CD2-CD2 4.21Å; Y133-L222 HydrophobicContact CE1-CD1 4.43Å; Y133-L222 HydrophobicContact CE1-CD2 3.27Å; Y133-L222 HydrophobicContact CE1-CG 3.62Å; Y133-L222 HydrophobicContact CE2-CD2 4.11Å; Y133-L222 HydrophobicContact CG-CD2 3.85Å; Y133-L222 WeakPolarHBondContact O-CD2 3.42Å; Y133-I223 WeakPolarHBondContact CE1-O 3.16Å; Y133-I223 PolarHBondContact OH-O 3.16Å; Y133-M224 HydrophobicContact CD1-CE 3.64Å; Y133-M224 HydrophobicContact CD1-CG 4.13Å; Y133-M224 HydrophobicContact CD1-SD 3.44Å; Y133-M224 WeakPolarHBondContact CD1-SD 3.3Å; Y133-M224 HydrophobicContact CE1-CG 4.13Å; Y133-M224 HydrophobicContact CE1-SD 3.79Å; Y133-M224 HydrophobicContact CG-CE 4.43Å; Y133-V227 HydrophobicContact CE1-CG2 4.39Å |
| 134 | E | 77.1 | Confident | 86.4 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -50.7 | -25.3 | 178.1 | -49.3 | 83.9 | -90 | 0 | 0 | 114.7 | R132 R137 M224 | R132-E134 WeakPolarHBondContact CD-OE2 3.45Å; E134-R137 VanDerWaalsContact O-CZ 3.24Å; E134-R137 PolarHBondContact O-NH1 3.09Å; E134-R137 PolarHBondContact O-NH2 2.87Å; E134-M224 HydrophobicContact CG-CE 3.69Å; E134-M224 WeakPolarHBondContact OE1-CE 3.35Å |
| 135 | D | 82.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -85.4 | -12.9 | -172.6 | -65.8 | -29.4 | 0 | 0 | 0 | 113.2 | P130 R132 Y133 R137 | P130-D135 HydrophobicContact CB-CB 3.72Å; P130-D135 HydrophobicContact CG-CB 3.79Å; R132-D135 WeakPolarHBondContact CB-OD2 3.34Å; R132-D135 WeakPolarHBondContact CG-OD2 3.28Å; R132-D135 PolarHBondContact O-N 2.92Å; Y133-D135 PolarHBondContact O-N 3.31Å; D135-R137 PolarHBondContact O-N 2.94Å |
| 136 | I | 84.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -63.4 | 123.6 | -175.9 | -61.9 | 169.4 | 0 | 0 | 0 | 111.9 | L127 P130 Y133 V142 F185 I212 L222 | L127-I136 HydrophobicContact CD1-CD1 4.19Å; L127-I136 HydrophobicContact CD2-CD1 3.99Å; L127-I136 HydrophobicContact CD2-CG1 4.22Å; P130-I136 HydrophobicContact CG-CG1 3.77Å; Y133-I136 HydrophobicContact CD2-CD1 3.89Å; Y133-I136 HydrophobicContact CE2-CD1 4.22Å; Y133-I136 WeakPolarHBondContact O-CG1 3.41Å; Y133-I136 PolarHBondContact O-N 3.4Å; Y133-I136 VanDerWaalsContact O-N 3.13Å; I136-V142 HydrophobicContact CG1-CG2 4.39Å; I136-V142 HydrophobicContact CG2-CG2 3.98Å; I136-F185 HydrophobicContact CG2-CD1 3.92Å; I136-F185 HydrophobicContact CG2-CE1 3.82Å; I136-F185 HydrophobicContact CG2-CG 4.46Å; I136-F185 HydrophobicContact CG2-CZ 4.29Å; I136-I212 HydrophobicContact CD1-CG2 4.39Å; I136-I212 HydrophobicContact CG2-CG2 4.46Å; I136-L222 HydrophobicContact CB-CD1 4.22Å; I136-L222 HydrophobicContact CB-CD2 4.09Å; I136-L222 HydrophobicContact CD1-CD2 4.38Å; I136-L222 HydrophobicContact CG2-CD1 4.26Å | ||
| 137 | R | 82 | Confident | 86.9 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | trans | -128.7 | 156.1 | 175.7 | -57.3 | -63.4 | 170.9 | -95.6 | -10.6 | 111.8 | E134 D135 E140 | E134-R137 VanDerWaalsContact O-CZ 3.24Å; E134-R137 PolarHBondContact O-NH1 3.09Å; E134-R137 PolarHBondContact O-NH2 2.87Å; D135-R137 PolarHBondContact O-N 2.94Å; R137-E140 HydrophobicContact CB-CG 4.16Å; R137-E140 PolarHBondContact O-N 3.31Å | ||
| 138 | L | 82.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 139 | 167.6 | -67.8 | -171.7 | 0 | 0 | 0 | 110.3 | E140 F185 I187 M214 P220 | L138-E140 VanDerWaalsContact C-N 3.34Å; L138-F185 HydrophobicContact CD2-CD1 4.03Å; L138-F185 HydrophobicContact CD2-CE1 4.14Å; L138-I187 HydrophobicContact CD1-CG1 4.21Å; L138-I187 HydrophobicContact CD2-CG1 4.23Å; L138-M214 HydrophobicContact CD2-SD 3.62Å; L138-M214 HydrophobicContact CG-CE 4.29Å; L138-M214 HydrophobicContact CG-SD 3.95Å; L138-P220 HydrophobicContact CD1-CG 3.51Å; L138-P220 HydrophobicContact CG-CG 3.91Å |
| 139 | G | 83.3 | Confident | 86.6 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -13.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F185 | G139-F185 PolarHBondContact N-O 2.93Š|
| 140 | E | 87.2 | Confident | 86.7 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -85.3 | 165.3 | -179.1 | -69.6 | -164.8 | -170.2 | 0 | 0 | 113.8 | R137 L138 F185 | R137-E140 HydrophobicContact CB-CG 4.16Å; R137-E140 PolarHBondContact O-N 3.31Å; L138-E140 VanDerWaalsContact C-N 3.34Å; E140-F185 VanDerWaalsContact O-CB 3.24Å; E140-F185 WeakPolarHBondContact O-CB 3.44Å; E140-F185 PolarHBondContact O-N 2.03Å |
| 141 | E | 89.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -86.4 | 113 | 175.7 | -179.2 | -179.1 | -147.8 | 0 | 0 | 110.4 | K129 R175 R181 I182 | K129-E141 HydrophobicContact CD-CB 4.37Å; K129-E141 HydrophobicContact CD-CG 4.23Å; K129-E141 IonicContact NZ-OE2 2.8Å; K129-E141 PolarHBondContact NZ-OE2 3.03Å; E141-R175 IonicContact OE1-CZ 2.68Å; E141-R175 IonicContact OE1-NH1 3.85Å; E141-R175 IonicContact OE1-NH2 2.84Å; E141-R175 PolarHBondContact OE1-NH2 2.91Å; E141-R181 HydrophobicContact CG-CG 4.49Å; E141-R181 IonicContact OE1-CZ 2.82Å; E141-R181 IonicContact OE1-NE 2.67Å; E141-R181 PolarHBondContact OE1-NE 3.39Å; E141-R181 IonicContact OE1-NH2 2.77Å; E141-R181 PolarHBondContact OE1-NH2 2.84Å; E141-I182 WeakPolarHBondContact CA-O 3.39Å | ||
| 142 | V | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | L127 K129 I136 L144 I182 F185 I212 | L127-V142 HydrophobicContact CD1-CG1 3.9Å; K129-V142 CarbonylContact O-C 3.58Å; K129-V142 VanDerWaalsContact O-CA 3.32Å; K129-V142 WeakPolarHBondContact O-CA 3.38Å; I136-V142 HydrophobicContact CG1-CG2 4.39Å; I136-V142 HydrophobicContact CG2-CG2 3.98Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å; V142-L144 HydrophobicContact CG1-CG 4.37Å; V142-I182 HydrophobicContact CB-CB 4.15Å; V142-I182 HydrophobicContact CB-CD1 4.21Å; V142-I182 HydrophobicContact CB-CG1 4.33Å; V142-I182 HydrophobicContact CG1-CD1 4.12Å; V142-I182 HydrophobicContact CG1-CG1 4.49Å; V142-I182 PolarHBondContact N-O 3.11Å; V142-I182 VanDerWaalsContact N-O 3.09Å; V142-I182 PolarHBondContact O-N 2.92Å; V142-F185 HydrophobicContact CB-CD2 4.34Å; V142-F185 HydrophobicContact CG2-CB 3.97Å; V142-F185 HydrophobicContact CG2-CD2 3.9Å; V142-F185 HydrophobicContact CG2-CG 3.93Å; V142-I212 HydrophobicContact CG1-CD1 4.27Å |
| 143 | E | 93.4 | Very high | 87.3 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.6 | 174.7 | -171.4 | 172.1 | 149.4 | 0 | 0 | 110.7 | V128 K129 R175 N179 L180 | V128-E143 HydrophobicContact CB-CB 4.26Å; V128-E143 HydrophobicContact CB-CG 4.24Å; V128-E143 PolarHBondContact N-O 3.12Å; K129-E143 HydrophobicContact CB-CB 3.95Å; K129-E143 PolarHBondContact N-O 2.79Å; K129-E143 PolarHBondContact O-N 3.13Å; E143-R175 IonicContact OE1-NE 2.69Å; E143-R175 IonicContact OE2-CZ 3.82Å; E143-R175 IonicContact OE2-NE 3.53Å; E143-R175 PolarHBondContact OE2-NE 2.66Å; E143-R175 IonicContact OE2-NH2 3.48Å; E143-R175 PolarHBondContact OE2-NH2 2.91Å; E143-N179 HydrophobicContact CG-CB 3.97Å; E143-N179 WeakPolarHBondContact OE1-CB 3.34Å; E143-N179 PolarHBondContact OE1-ND2 2.56Å; E143-L180 WeakPolarHBondContact CA-O 3.19Å |
| 144 | L | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.3 | 178.7 | -58.1 | 177.8 | 0 | 0 | 0 | 110.3 | V125 S126 L127 V142 W161 N179 L180 Y193 F210 I212 | V125-L144 HydrophobicContact CG1-CB 4.17Å; V125-L144 HydrophobicContact CG1-CD1 4.37Å; V125-L144 HydrophobicContact CG1-CD2 4.42Å; S126-L144 WeakPolarHBondContact O-CA 3.29Å; L127-L144 HydrophobicContact CD1-CD2 3.63Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å; V142-L144 HydrophobicContact CG1-CG 4.37Å; L144-W161 HydrophobicContact CB-CH2 3.76Å; L144-W161 HydrophobicContact CB-CZ3 4.09Å; L144-N179 CarbonylContact O-C 3.51Å; L144-N179 VanDerWaalsContact O-CA 3.32Å; L144-N179 WeakPolarHBondContact O-CA 3.3Å; L144-N179 WeakPolarHBondContact O-CB 3.49Å; L144-L180 HydrophobicContact CB-CB 4.44Å; L144-L180 PolarHBondContact N-O 3.19Å; L144-L180 PolarHBondContact O-N 2.7Å; L144-Y193 HydrophobicContact CD1-CD1 3.87Å; L144-Y193 HydrophobicContact CD1-CD2 4Å; L144-Y193 HydrophobicContact CD1-CE1 4.3Å; L144-Y193 HydrophobicContact CD1-CE2 4.43Å; L144-Y193 HydrophobicContact CD1-CG 3.7Å; L144-F210 HydrophobicContact CD1-CD1 4.29Å; L144-F210 HydrophobicContact CD2-CD1 3.77Å; L144-F210 HydrophobicContact CD2-CE1 3.47Å; L144-F210 VanDerWaalsContact CD2-CE1 3.47Å; L144-F210 HydrophobicContact CD2-CG 4.49Å; L144-F210 HydrophobicContact CD2-CZ 3.98Å; L144-I212 HydrophobicContact CD1-CD1 4.43Å |
| 145 | T | 93 | Very high | 88.2 | Confident | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.6 | 173.5 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | V125 S126 V128 N147 N179 | V125-T145 WeakPolarHBondContact CA-O 3.38Å; S126-T145 PolarHBondContact N-O 3.25Å; S126-T145 PolarHBondContact O-N 2.87Å; S126-T145 VanDerWaalsContact OG-CG2 3.24Å; S126-T145 WeakPolarHBondContact OG-CG2 3.49Å; V128-T145 HydrophobicContact CG2-CG2 3.47Å; V128-T145 VanDerWaalsContact CG2-CG2 3.47Å; T145-N147 VanDerWaalsContact CG2-OD1 3.31Å; T145-N147 WeakPolarHBondContact CG2-OD1 3.13Å; T145-N179 WeakPolarHBondContact CB-OD1 3.35Å; T145-N179 PolarHBondContact OG1-OD1 3.43Å |
| 146 | C | 93.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 98.8 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | V148 I159 W161 C195 | C146-V148 PolarHBondContact O-N 3.39Å; C146-I159 HydrophobicContact CB-CD1 4.32Å; C146-I159 HydrophobicContact CB-CG2 3.98Å; C146-W161 HydrophobicContact CB-CH2 4.39Å; C146-W161 HydrophobicContact CB-CZ2 4.03Å; C146-C195 VanDerWaalsContact CA-SG 3.53Å; C146-C195 HydrophobicContact CB-CB 3.58Å; C146-C195 WeakPolarHBondContact CB-SG 3.02Å; C146-C195 WeakPolarHBondContact SG-CB 3.34Å; C146-C195 CovalentContact SG-SG 2.03Å; C146-C195 PolarHBondContact SG-SG 3.4Å |
| 147 | N | 90.1 | Very high | 88.5 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.5 | 178.5 | -71.9 | -12 | 0 | 0 | 0 | 109 | V123 H124 S126 T145 | V123-N147 WeakPolarHBondContact CA-O 3.39Å; H124-N147 PolarHBondContact CD2-ND2 2.8Å; H124-N147 PolarHBondContact N-O 3.21Å; H124-N147 WeakPolarHBondContact NE2-CB 3.45Å; H124-N147 PolarHBondContact NE2-ND2 3.46Å; H124-N147 WeakPolarHBondContact O-CB 3.13Å; H124-N147 PolarHBondContact O-N 3.21Å; S126-N147 WeakPolarHBondContact CB-ND2 3.41Å; S126-N147 PolarHBondContact OG-ND2 2.85Å; S126-N147 PolarHBondContact OG-OD1 2.92Å; T145-N147 VanDerWaalsContact CG2-OD1 3.31Å; T145-N147 WeakPolarHBondContact CG2-OD1 3.13Å |
| 148 | V | 87.7 | Confident | 88.9 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | trans | -159.3 | 131.8 | 176.1 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | M119 V123 C146 L154 A197 | M119-V148 HydrophobicContact CG-CG2 3.62Å; M119-V148 HydrophobicContact SD-CG2 3.76Å; V123-V148 HydrophobicContact CG1-CB 4.26Å; V123-V148 HydrophobicContact CG2-CB 3.97Å; V123-V148 HydrophobicContact CG2-CG2 3.86Å; C146-V148 PolarHBondContact O-N 3.39Å; V148-L154 HydrophobicContact CB-CD1 4.15Å; V148-L154 HydrophobicContact CG1-CD1 3.34Å; V148-L154 HydrophobicContact CG2-CD1 3.7Å; V148-A197 HydrophobicContact CG1-CB 4.17Å; V148-A197 HydrophobicContact CG2-CB 4.26Å | ||
| 149 | K | 86.6 | Confident | 89.4 | Confident | 148 Ų | 148 | 46.3 Ų | 46.3 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | trans | -95.7 | 128.9 | 177.4 | -65.1 | 171.1 | -176.5 | 170.7 | 0 | 108.8 | W118 M119 D120 | W118-K149 HydrophobicContact CH2-CB 4.29Å; W118-K149 HydrophobicContact CZ3-CB 3.95Å; W118-K149 WeakPolarHBondContact CZ3-O 3.5Å; M119-K149 CarbonylContact C-O 3.48Å; M119-K149 WeakPolarHBondContact CA-O 3.41Å; D120-K149 HydrophobicContact CB-CB 4Å; D120-K149 WeakPolarHBondContact CB-O 3.29Å; D120-K149 PolarHBondContact N-O 3.3Å | ||
| 150 | A | 88.1 | Confident | 89.7 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W118 M119 P152 L154 | W118-A150 CarbonylContact O-C 3.49Å; W118-A150 VanDerWaalsContact O-CA 3.28Å; W118-A150 WeakPolarHBondContact O-CA 3.18Å; W118-A150 WeakPolarHBondContact O-CB 3.31Å; M119-A150 HydrophobicContact CB-CB 4.3Å; M119-A150 HydrophobicContact CG-CB 4.23Å; A150-P152 CarbonylContact C-O 3.27Å; A150-P152 CarbonylContact O-C 3.55Å; A150-L154 HydrophobicContact CB-CD1 4.11Å; A150-L154 HydrophobicContact CB-CG 4.08Å |
| 151 | N | 88.6 | Confident | 90 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.3 | 166.8 | -177.4 | 60.3 | 0 | 0 | 0 | 109.7 | I116 Y117 W118 H199 | I116-N151 PolarHBondContact O-ND2 2.93Å; Y117-N151 VanDerWaalsContact CA-O 3.26Å; Y117-N151 WeakPolarHBondContact CA-O 2.99Å; W118-N151 HydrophobicContact CD2-CB 4.06Å; W118-N151 HydrophobicContact CG-CB 4.24Å; W118-N151 HydrophobicContact CZ2-CB 3.96Å; W118-N151 PolarHBondContact N-O 2.64Å; W118-N151 VanDerWaalsContact NE1-CB 3.32Å; W118-N151 PolarHBondContact O-N 2.98Å; N151-H199 PolarHBondContact O-CE1 2.75Å |
| 152 | P | 88.3 | Confident | 90.1 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | S | Bend | cis | -57.3 | 158 | -10.7 | 25.7 | -36.5 | 0 | 0 | 0 | 113.1 | Y117 A150 H199 | Y117-P152 HydrophobicContact CE1-CG 4.37Å; A150-P152 CarbonylContact C-O 3.27Å; A150-P152 CarbonylContact O-C 3.55Å; P152-H199 WeakPolarHBondContact CD-NE2 3.47Å; P152-H199 PolarHBondContact O-NE2 2.89Å |
| 153 | P | 88.4 | Confident | 90 | Very high | 110 Ų | 110 | 44 Ų | 44 | 71% | 0.714 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 139.9 | 172.5 | -25.2 | 35.2 | 0 | 0 | 0 | 111.7 | ||
| 154 | L | 88.2 | Confident | 89.6 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 134 | -178.3 | -76.2 | 153.4 | 0 | 0 | 0 | 111.7 | M119 V148 A150 N158 A197 H199 | M119-L154 HydrophobicContact SD-CD1 4.2Å; V148-L154 HydrophobicContact CB-CD1 4.15Å; V148-L154 HydrophobicContact CG1-CD1 3.34Å; V148-L154 HydrophobicContact CG2-CD1 3.7Å; A150-L154 HydrophobicContact CB-CD1 4.11Å; A150-L154 HydrophobicContact CB-CG 4.08Å; L154-N158 HydrophobicContact CB-CB 4.43Å; L154-N158 HydrophobicContact CD2-CB 3.45Å; L154-N158 VanDerWaalsContact CD2-CB 3.45Å; L154-A197 HydrophobicContact CD1-CB 4Å; L154-H199 HydrophobicContact CD2-CB 3.99Å |
| 155 | S | 88.7 | Confident | 89 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 161.7 | 170.6 | 88.1 | 0 | 0 | 0 | 0 | 111.1 | A157 N158 | S155-A157 PolarHBondContact O-N 2.82Å; S155-A157 VanDerWaalsContact O-N 3.08Å; S155-A157 PolarHBondContact OG-N 2.85Å; S155-N158 VanDerWaalsContact CB-OD1 3.31Å; S155-N158 WeakPolarHBondContact CB-OD1 3.28Å; S155-N158 PolarHBondContact N-OD1 2.61Å; S155-N158 VanDerWaalsContact N-OD1 3.14Å; S155-N158 WeakPolarHBondContact O-CB 3.33Å; S155-N158 PolarHBondContact O-N 2.03Å; S155-N158 PolarHBondContact OG-OD1 2.89Å |
| 156 | P | 87.2 | Confident | 88.6 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -55.4 | -29.1 | 175.2 | -25.2 | 33.9 | 0 | 0 | 0 | 113.7 | N158 I159 S176 | P156-N158 VanDerWaalsContact C-N 3.26Å; P156-N158 PolarHBondContact O-N 3.49Å; P156-I159 PolarHBondContact O-N 2.68Å; P156-S176 WeakPolarHBondContact CG-O 3.4Å |
| 157 | A | 86.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 56% | 0.562 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -70.4 | -22.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S155 K160 | S155-A157 PolarHBondContact O-N 2.82Å; S155-A157 VanDerWaalsContact O-N 3.08Å; S155-A157 PolarHBondContact OG-N 2.85Å; A157-K160 WeakPolarHBondContact O-CE 3.5Å; A157-K160 PolarHBondContact O-NZ 3.03Å |
| 158 | N | 90.2 | Very high | 87.7 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -83.8 | -12.9 | 179.4 | -60.6 | 97.9 | 0 | 0 | 0 | 113.2 | L154 S155 P156 I198 | L154-N158 HydrophobicContact CB-CB 4.43Å; L154-N158 HydrophobicContact CD2-CB 3.45Å; L154-N158 VanDerWaalsContact CD2-CB 3.45Å; S155-N158 VanDerWaalsContact CB-OD1 3.31Å; S155-N158 WeakPolarHBondContact CB-OD1 3.28Å; S155-N158 PolarHBondContact N-OD1 2.61Å; S155-N158 VanDerWaalsContact N-OD1 3.14Å; S155-N158 WeakPolarHBondContact O-CB 3.33Å; S155-N158 PolarHBondContact O-N 2.03Å; S155-N158 PolarHBondContact OG-OD1 2.89Å; P156-N158 VanDerWaalsContact C-N 3.26Å; P156-N158 PolarHBondContact O-N 3.49Å; N158-I198 VanDerWaalsContact CB-O 3.29Å; N158-I198 WeakPolarHBondContact CB-O 3.49Å; N158-I198 PolarHBondContact ND2-O 2.85Å; N158-I198 PolarHBondContact O-N 2.79Å |
| 159 | I | 92.4 | Very high | 87.7 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.4 | 178.1 | -56.4 | 172 | 0 | 0 | 0 | 108.5 | C146 P156 C195 R196 | C146-I159 HydrophobicContact CB-CD1 4.32Å; C146-I159 HydrophobicContact CB-CG2 3.98Å; P156-I159 PolarHBondContact O-N 2.68Å; I159-C195 HydrophobicContact CG2-CB 4.36Å; I159-R196 WeakPolarHBondContact CA-O 3.07Å |
| 160 | K | 91.3 | Very high | 87.6 | Confident | 90 Ų | 90 | 51 Ų | 51 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.6 | 168.9 | -54.2 | -63 | 163.5 | -141.5 | 0 | 109.4 | A157 F162 C195 R196 I198 | A157-K160 WeakPolarHBondContact O-CE 3.5Å; A157-K160 PolarHBondContact O-NZ 3.03Å; K160-F162 HydrophobicContact CB-CE2 3.88Å; K160-F162 HydrophobicContact CB-CZ 4.15Å; K160-C195 CarbonylContact O-C 3.58Å; K160-C195 WeakPolarHBondContact O-CA 3.22Å; K160-R196 HydrophobicContact CB-CB 4.2Å; K160-R196 HydrophobicContact CB-CG 4.47Å; K160-R196 PolarHBondContact N-O 3.39Å; K160-R196 PolarHBondContact O-N 3.18Å; K160-I198 HydrophobicContact CG-CD1 3.82Å |
| 161 | W | 93.1 | Very high | 87.6 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145.6 | -179.9 | -74.5 | 98.4 | 0 | 0 | 0 | 110.4 | V125 L144 C146 L169 F174 G178 L180 C195 | V125-W161 HydrophobicContact CB-CZ3 4.34Å; V125-W161 HydrophobicContact CG1-CH2 3.92Å; V125-W161 HydrophobicContact CG1-CZ3 3.77Å; V125-W161 HydrophobicContact CG2-CH2 3.94Å; V125-W161 HydrophobicContact CG2-CZ3 3.56Å; L144-W161 HydrophobicContact CB-CH2 3.76Å; L144-W161 HydrophobicContact CB-CZ3 4.09Å; C146-W161 HydrophobicContact CB-CH2 4.39Å; C146-W161 HydrophobicContact CB-CZ2 4.03Å; W161-L169 HydrophobicContact CB-CD1 3.86Å; W161-L169 HydrophobicContact CB-CD2 4.39Å; W161-F174 HydrophobicContact CB-CE1 4.35Å; W161-F174 AromaticContact CD1-CE1 3.75Å; W161-F174 HydrophobicContact CG-CE1 4.32Å; W161-G178 PolarHBondContact NE1-O 3.13Å; W161-L180 HydrophobicContact CB-CD2 4.36Å; W161-L180 HydrophobicContact CD2-CB 3.82Å; W161-L180 HydrophobicContact CD2-CD2 4.06Å; W161-L180 HydrophobicContact CE3-CB 4.23Å; W161-L180 HydrophobicContact CE3-CD2 3.95Å; W161-L180 HydrophobicContact CG-CB 4.2Å; W161-L180 HydrophobicContact CG-CD2 4.27Å; W161-L180 HydrophobicContact CH2-CB 4.37Å; W161-L180 HydrophobicContact CZ2-CB 3.98Å; W161-L180 HydrophobicContact CZ3-CB 4.48Å; W161-C195 HydrophobicContact CD2-CB 4.09Å; W161-C195 HydrophobicContact CE3-CB 3.91Å; W161-C195 HydrophobicContact CH2-CB 4.19Å; W161-C195 HydrophobicContact CZ2-CB 4.34Å; W161-C195 HydrophobicContact CZ3-CB 3.98Å |
| 162 | F | 90.9 | Very high | 87.7 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.5 | 177.2 | -58 | -94 | 0 | 0 | 0 | 110 | K160 N166 A167 Y193 H194 R196 L269 | K160-F162 HydrophobicContact CB-CE2 3.88Å; K160-F162 HydrophobicContact CB-CZ 4.15Å; F162-N166 CarbonylContact C-O 3.56Å; F162-N166 VanDerWaalsContact CA-O 3.25Å; F162-N166 WeakPolarHBondContact CA-O 3.4Å; F162-A167 HydrophobicContact CD1-CB 4.05Å; F162-A167 HydrophobicContact CE1-CB 3.84Å; F162-Y193 WeakPolarHBondContact O-CA 3.43Å; F162-H194 PolarHBondContact N-O 2.95Å; F162-H194 PolarHBondContact O-N 3.19Å; F162-R196 HydrophobicContact CD2-CB 4.49Å; F162-R196 HydrophobicContact CE2-CB 3.75Å; F162-R196 HydrophobicContact CE2-CG 4.45Å; F162-L269 HydrophobicContact CD1-CB 3.79Å; F162-L269 HydrophobicContact CD2-CB 4.23Å; F162-L269 HydrophobicContact CD2-CD1 4.19Å; F162-L269 VanDerWaalsContact CE1-C 3.47Å; F162-L269 HydrophobicContact CE1-CB 3.86Å; F162-L269 WeakPolarHBondContact CE1-O 3.48Å; F162-L269 HydrophobicContact CE2-CB 4.3Å; F162-L269 HydrophobicContact CG-CB 4Å; F162-L269 HydrophobicContact CG-CD1 4.48Å; F162-L269 HydrophobicContact CZ-CB 4.14Å |
| 163 | H | 90.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.1 | 174.9 | 175.7 | -116.7 | 0 | 0 | 0 | 108.9 | G165 N166 L169 P170 E188 T190 S192 Y193 | H163-G165 PolarHBondContact O-N 2.8Å; H163-G165 VanDerWaalsContact O-N 3.13Å; H163-N166 PolarHBondContact N-O 3.06Å; H163-N166 WeakPolarHBondContact O-CB 3.08Å; H163-N166 PolarHBondContact O-N 3.3Å; H163-L169 HydrophobicContact CB-CD2 3.71Å; H163-P170 WeakPolarHBondContact ND1-CD 3.39Å; H163-E188 PolarHBondContact CE1-O 2.8Å; H163-T190 PolarHBondContact CE1-O 2.89Å; H163-T190 VanDerWaalsContact CE1-O 3.29Å; H163-T190 PolarHBondContact NE2-O 3.02Å; H163-S192 CarbonylContact C-O 3.49Å; H163-S192 WeakPolarHBondContact CA-O 3.4Å; H163-Y193 HydrophobicContact CB-CD1 4.41Å; H163-Y193 HydrophobicContact CB-CE1 4.18Å; H163-Y193 AromaticContact CD2-CE1 3.7Å; H163-Y193 AromaticContact CD2-CE2 3.69Å; H163-Y193 AromaticContact CD2-CZ 3.42Å; H163-Y193 VanDerWaalsContact CD2-CZ 3.42Å; H163-Y193 AromaticContact NE2-CZ 3.97Å |
| 164 | N | 85.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 37.2 | -171.7 | -62.5 | -35.8 | 0 | 0 | 0 | 112.4 | N166 G191 S192 I318 | N164-N166 PolarHBondContact O-N 3.32Å; N164-N166 PolarHBondContact O-ND2 3.47Å; N164-G191 WeakPolarHBondContact OD1-CA 3.42Å; N164-S192 PolarHBondContact N-O 3.34Å; N164-S192 PolarHBondContact OD1-N 2.84Å; N164-I318 HydrophobicContact CB-CB 4.36Å; N164-I318 HydrophobicContact CB-CD1 4.22Å; N164-I318 HydrophobicContact CB-CG2 4.03Å |
| 165 | G | 81.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -14.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H163 G270 | H163-G165 PolarHBondContact O-N 2.8Å; H163-G165 VanDerWaalsContact O-N 3.13Å; G165-G270 PolarHBondContact O-N 2.86Å |
| 166 | N | 83.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -80.1 | 139.8 | 179.9 | -67.6 | -73.1 | 0 | 0 | 0 | 112 | F162 H163 N164 R168 | F162-N166 CarbonylContact C-O 3.56Å; F162-N166 VanDerWaalsContact CA-O 3.25Å; F162-N166 WeakPolarHBondContact CA-O 3.4Å; H163-N166 PolarHBondContact N-O 3.06Å; H163-N166 WeakPolarHBondContact O-CB 3.08Å; H163-N166 PolarHBondContact O-N 3.3Å; N164-N166 PolarHBondContact O-N 3.32Å; N164-N166 PolarHBondContact O-ND2 3.47Å; N166-R168 VanDerWaalsContact C-N 3.25Å |
| 167 | A | 83.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -75.9 | -14.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | F162 L169 | F162-A167 HydrophobicContact CD1-CB 4.05Å; F162-A167 HydrophobicContact CE1-CB 3.84Å; A167-L169 PolarHBondContact O-N 3.27Å |
| 168 | R | 82.5 | Confident | 87.3 | Confident | 223 Ų | 223 | 62.2 Ų | 62.2 | 84% | 0.842 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -86.2 | 105.3 | 171.1 | -179.1 | -179.7 | 179.8 | 173.9 | 0.6 | 108.7 | N166 | N166-R168 VanDerWaalsContact C-N 3.25Š|
| 169 | L | 86.6 | Confident | 87.4 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | trans | -78.4 | 161.8 | 175.5 | -52.7 | -178.8 | 0 | 0 | 0 | 111.5 | W161 H163 A167 T172 F174 L180 | W161-L169 HydrophobicContact CB-CD1 3.86Å; W161-L169 HydrophobicContact CB-CD2 4.39Å; H163-L169 HydrophobicContact CB-CD2 3.71Å; A167-L169 PolarHBondContact O-N 3.27Å; L169-T172 WeakPolarHBondContact CB-OG1 3.34Å; L169-F174 HydrophobicContact CD1-CE1 3.93Å; L169-F174 HydrophobicContact CD1-CZ 3.69Å; L169-L180 HydrophobicContact CD1-CD1 3.56Å; L169-L180 HydrophobicContact CD1-CD2 4.13Å | ||
| 170 | P | 85.2 | Confident | 87.5 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -66.8 | -163.2 | 164.5 | 27.8 | -34.5 | 0 | 0 | 0 | 112 | H163 T172 E188 H189 | H163-P170 WeakPolarHBondContact ND1-CD 3.39Å; P170-T172 VanDerWaalsContact C-N 3.27Å; P170-T172 HydrophobicContact CG-CG2 4.12Å; P170-T172 PolarHBondContact O-N 3.05Å; P170-T172 PolarHBondContact O-OG1 2.93Å; P170-E188 HydrophobicContact CB-CG 4.12Å; P170-H189 VanDerWaalsContact CG-CD2 3.49Å; P170-H189 WeakPolarHBondContact CG-CD2 3.35Å |
| 171 | N | 88.2 | Confident | 87.5 | Confident | 133 Ų | 133 | 57.6 Ų | 57.6 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -70.8 | 75.6 | -173.8 | -73.8 | -34.4 | 0 | 0 | 0 | 112.7 | H189 | N171-H189 PolarHBondContact N-NE2 3.04Å; N171-H189 PolarHBondContact O-NE2 3.4Å |
| 172 | T | 90.3 | Very high | 87.6 | Confident | 27 Ų | 27 | 57 Ų | 57 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | trans | -126.1 | 149.3 | -171 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | L169 P170 L180 R181 I182 | L169-T172 WeakPolarHBondContact CB-OG1 3.34Å; P170-T172 VanDerWaalsContact C-N 3.27Å; P170-T172 HydrophobicContact CG-CG2 4.12Å; P170-T172 PolarHBondContact O-N 3.05Å; P170-T172 PolarHBondContact O-OG1 2.93Å; T172-L180 HydrophobicContact CG2-CD1 4.28Å; T172-R181 CarbonylContact C-O 3.53Å; T172-R181 WeakPolarHBondContact CA-O 3.44Å; T172-I182 HydrophobicContact CG2-CG1 3.98Å | ||
| 173 | E | 88.7 | Confident | 87.5 | Confident | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.6 | 178.9 | -62.5 | 170.9 | -165.2 | 0 | 0 | 110.8 | R181 | E173-R181 HydrophobicContact CB-CB 4.3Å; E173-R181 VanDerWaalsContact CD-NH1 3.25Å; E173-R181 PolarHBondContact N-O 2.88Å; E173-R181 PolarHBondContact O-N 2.95Å; E173-R181 IonicContact OE1-NH1 3.11Å; E173-R181 PolarHBondContact OE1-NH1 2.85Å; E173-R181 VanDerWaalsContact OE1-NH1 3.12Å; E173-R181 WeakPolarHBondContact OE2-CD 3.26Å; E173-R181 IonicContact OE2-CZ 3.74Å; E173-R181 IonicContact OE2-NE 2.66Å; E173-R181 IonicContact OE2-NH1 3.73Å; E173-R181 PolarHBondContact OE2-NH1 3.06Å |
| 174 | F | 89.2 | Confident | 87.4 | Confident | 134 Ų | 134 | 61.8 Ų | 61.8 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124 | 170.1 | -58.8 | -73.3 | 0 | 0 | 0 | 110 | W161 L169 L180 | W161-F174 HydrophobicContact CB-CE1 4.35Å; W161-F174 AromaticContact CD1-CE1 3.75Å; W161-F174 HydrophobicContact CG-CE1 4.32Å; L169-F174 HydrophobicContact CD1-CE1 3.93Å; L169-F174 HydrophobicContact CD1-CZ 3.69Å; F174-L180 HydrophobicContact CD1-CD1 4.13Å; F174-L180 HydrophobicContact CE1-CD1 3.79Å; F174-L180 HydrophobicContact CZ-CD1 4.47Å |
| 175 | R | 87.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 61 Ų | 61 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | trans | -69 | 159.1 | 170 | -68.9 | -83.2 | -160 | -130.7 | -5.3 | 110.2 | E141 E143 N177 G178 N179 R181 | E141-R175 IonicContact OE1-CZ 2.68Å; E141-R175 IonicContact OE1-NH1 3.85Å; E141-R175 IonicContact OE1-NH2 2.84Å; E141-R175 PolarHBondContact OE1-NH2 2.91Å; E143-R175 IonicContact OE1-NE 2.69Å; E143-R175 IonicContact OE2-CZ 3.82Å; E143-R175 IonicContact OE2-NE 3.53Å; E143-R175 PolarHBondContact OE2-NE 2.66Å; E143-R175 IonicContact OE2-NH2 3.48Å; E143-R175 PolarHBondContact OE2-NH2 2.91Å; R175-N177 WeakPolarHBondContact CB-OD1 3.35Å; R175-N177 PolarHBondContact O-N 3.45Å; R175-N177 VanDerWaalsContact O-N 3.07Å; R175-G178 PolarHBondContact O-N 3.01Å; R175-N179 HydrophobicContact CB-CB 4.03Å; R175-N179 HydrophobicContact CG-CB 4.08Å; R175-N179 PolarHBondContact N-O 2.93Å; R175-R181 HydrophobicContact CG-CB 4.18Å; R175-R181 VanDerWaalsContact NH1-NE 3.19Å | ||
| 176 | S | 81.4 | Confident | 87.8 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 85% | 0.853 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | P156 | P156-S176 WeakPolarHBondContact CG-O 3.4Š|
| 177 | N | 83.7 | Confident | 87.6 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.9 | 171.7 | 64.9 | -6.5 | 0 | 0 | 0 | 113.6 | R175 N179 | R175-N177 WeakPolarHBondContact CB-OD1 3.35Å; R175-N177 PolarHBondContact O-N 3.45Å; R175-N177 VanDerWaalsContact O-N 3.07Å; N177-N179 VanDerWaalsContact ND2-CG 3.31Å; N177-N179 PolarHBondContact ND2-ND2 3.1Å; N177-N179 VanDerWaalsContact OD1-CB 3.31Å; N177-N179 WeakPolarHBondContact OD1-CB 3.34Å; N177-N179 VanDerWaalsContact OD1-CG 3.28Å; N177-N179 PolarHBondContact OD1-N 3.48Å |
| 178 | G | 87.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 90.3 | 0.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W161 R175 | W161-G178 PolarHBondContact NE1-O 3.13Å; R175-G178 PolarHBondContact O-N 3.01Å |
| 179 | N | 92.8 | Very high | 87.7 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | trans | -63.7 | 143.7 | 171.7 | -68 | 0.1 | 0 | 0 | 0 | 111 | E143 L144 T145 R175 N177 | E143-N179 HydrophobicContact CG-CB 3.97Å; E143-N179 WeakPolarHBondContact OE1-CB 3.34Å; E143-N179 PolarHBondContact OE1-ND2 2.56Å; L144-N179 CarbonylContact O-C 3.51Å; L144-N179 VanDerWaalsContact O-CA 3.32Å; L144-N179 WeakPolarHBondContact O-CA 3.3Å; L144-N179 WeakPolarHBondContact O-CB 3.49Å; T145-N179 WeakPolarHBondContact CB-OD1 3.35Å; T145-N179 PolarHBondContact OG1-OD1 3.43Å; R175-N179 HydrophobicContact CB-CB 4.03Å; R175-N179 HydrophobicContact CG-CB 4.08Å; R175-N179 PolarHBondContact N-O 2.93Å; N177-N179 VanDerWaalsContact ND2-CG 3.31Å; N177-N179 PolarHBondContact ND2-ND2 3.1Å; N177-N179 VanDerWaalsContact OD1-CB 3.31Å; N177-N179 WeakPolarHBondContact OD1-CB 3.34Å; N177-N179 VanDerWaalsContact OD1-CG 3.28Å; N177-N179 PolarHBondContact OD1-N 3.48Å | ||
| 180 | L | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.5 | 173 | -177.7 | 63.8 | 0 | 0 | 0 | 109.3 | E143 L144 W161 L169 T172 F174 Y193 | E143-L180 WeakPolarHBondContact CA-O 3.19Å; L144-L180 HydrophobicContact CB-CB 4.44Å; L144-L180 PolarHBondContact N-O 3.19Å; L144-L180 PolarHBondContact O-N 2.7Å; W161-L180 HydrophobicContact CB-CD2 4.36Å; W161-L180 HydrophobicContact CD2-CB 3.82Å; W161-L180 HydrophobicContact CD2-CD2 4.06Å; W161-L180 HydrophobicContact CE3-CB 4.23Å; W161-L180 HydrophobicContact CE3-CD2 3.95Å; W161-L180 HydrophobicContact CG-CB 4.2Å; W161-L180 HydrophobicContact CG-CD2 4.27Å; W161-L180 HydrophobicContact CH2-CB 4.37Å; W161-L180 HydrophobicContact CZ2-CB 3.98Å; W161-L180 HydrophobicContact CZ3-CB 4.48Å; L169-L180 HydrophobicContact CD1-CD1 3.56Å; L169-L180 HydrophobicContact CD1-CD2 4.13Å; T172-L180 HydrophobicContact CG2-CD1 4.28Å; F174-L180 HydrophobicContact CD1-CD1 4.13Å; F174-L180 HydrophobicContact CE1-CD1 3.79Å; F174-L180 HydrophobicContact CZ-CD1 4.47Å; L180-Y193 HydrophobicContact CD2-CD1 3.78Å; L180-Y193 HydrophobicContact CD2-CE1 3.74Å |
| 181 | R | 93.3 | Very high | 87.5 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.6 | -177.5 | -175.6 | -140 | -172.3 | -152.5 | -9.3 | 110.3 | E141 T172 E173 R175 | E141-R181 HydrophobicContact CG-CG 4.49Å; E141-R181 IonicContact OE1-CZ 2.82Å; E141-R181 IonicContact OE1-NE 2.67Å; E141-R181 PolarHBondContact OE1-NE 3.39Å; E141-R181 IonicContact OE1-NH2 2.77Å; E141-R181 PolarHBondContact OE1-NH2 2.84Å; T172-R181 CarbonylContact C-O 3.53Å; T172-R181 WeakPolarHBondContact CA-O 3.44Å; E173-R181 HydrophobicContact CB-CB 4.3Å; E173-R181 VanDerWaalsContact CD-NH1 3.25Å; E173-R181 PolarHBondContact N-O 2.88Å; E173-R181 PolarHBondContact O-N 2.95Å; E173-R181 IonicContact OE1-NH1 3.11Å; E173-R181 PolarHBondContact OE1-NH1 2.85Å; E173-R181 VanDerWaalsContact OE1-NH1 3.12Å; E173-R181 WeakPolarHBondContact OE2-CD 3.26Å; E173-R181 IonicContact OE2-CZ 3.74Å; E173-R181 IonicContact OE2-NE 2.66Å; E173-R181 IonicContact OE2-NH1 3.73Å; E173-R181 PolarHBondContact OE2-NH1 3.06Å; R175-R181 HydrophobicContact CG-CB 4.18Å; R175-R181 VanDerWaalsContact NH1-NE 3.19Å |
| 182 | I | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105 | 171.3 | -44.2 | -174.8 | 0 | 0 | 0 | 106.3 | E141 V142 T172 V184 F185 H189 | E141-I182 WeakPolarHBondContact CA-O 3.39Å; V142-I182 HydrophobicContact CB-CB 4.15Å; V142-I182 HydrophobicContact CB-CD1 4.21Å; V142-I182 HydrophobicContact CB-CG1 4.33Å; V142-I182 HydrophobicContact CG1-CD1 4.12Å; V142-I182 HydrophobicContact CG1-CG1 4.49Å; V142-I182 PolarHBondContact N-O 3.11Å; V142-I182 VanDerWaalsContact N-O 3.09Å; V142-I182 PolarHBondContact O-N 2.92Å; T172-I182 HydrophobicContact CG2-CG1 3.98Å; I182-V184 VanDerWaalsContact C-N 3.32Å; I182-V184 PolarHBondContact O-N 2.84Å; I182-F185 HydrophobicContact CD1-CD2 4.07Å; I182-F185 HydrophobicContact CD1-CE2 4.42Å; I182-F185 HydrophobicContact CG2-CB 4.43Å; I182-F185 HydrophobicContact CG2-CD2 4.29Å; I182-H189 HydrophobicContact CD1-CB 4.11Å; I182-H189 HydrophobicContact CG2-CB 4.4Å; I182-H189 WeakPolarHBondContact CG2-CD2 3.36Å |
| 183 | A | 89.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -70.3 | -30.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 184 | V | 89.5 | Confident | 87.5 | Confident | 97 Ų | 97 | 41.4 Ų | 41.4 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -141.3 | 107.8 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | I182 | I182-V184 VanDerWaalsContact C-N 3.32Å; I182-V184 PolarHBondContact O-N 2.84Å |
| 185 | F | 88.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | trans | -70.8 | 136.4 | -178.1 | -175.9 | -105.3 | 0 | 0 | 0 | 111.3 | I136 L138 G139 E140 V142 I182 H189 T190 I212 M214 | I136-F185 HydrophobicContact CG2-CD1 3.92Å; I136-F185 HydrophobicContact CG2-CE1 3.82Å; I136-F185 HydrophobicContact CG2-CG 4.46Å; I136-F185 HydrophobicContact CG2-CZ 4.29Å; L138-F185 HydrophobicContact CD2-CD1 4.03Å; L138-F185 HydrophobicContact CD2-CE1 4.14Å; G139-F185 PolarHBondContact N-O 2.93Å; E140-F185 VanDerWaalsContact O-CB 3.24Å; E140-F185 WeakPolarHBondContact O-CB 3.44Å; E140-F185 PolarHBondContact O-N 2.03Å; V142-F185 HydrophobicContact CB-CD2 4.34Å; V142-F185 HydrophobicContact CG2-CB 3.97Å; V142-F185 HydrophobicContact CG2-CD2 3.9Å; V142-F185 HydrophobicContact CG2-CG 3.93Å; I182-F185 HydrophobicContact CD1-CD2 4.07Å; I182-F185 HydrophobicContact CD1-CE2 4.42Å; I182-F185 HydrophobicContact CG2-CB 4.43Å; I182-F185 HydrophobicContact CG2-CD2 4.29Å; F185-H189 HydrophobicContact CD2-CB 3.69Å; F185-H189 HydrophobicContact CE2-CB 3.48Å; F185-H189 VanDerWaalsContact CE2-CB 3.48Å; F185-H189 HydrophobicContact CZ-CB 4.38Å; F185-T190 HydrophobicContact CZ-CG2 4.24Å; F185-I212 HydrophobicContact CE1-CG2 4.39Å; F185-I212 HydrophobicContact CE2-CD1 4.38Å; F185-I212 HydrophobicContact CE2-CG2 3.98Å; F185-I212 HydrophobicContact CZ-CG2 3.51Å; F185-M214 HydrophobicContact CE1-CG 4.5Å; F185-M214 HydrophobicContact CE1-SD 3.71Å | ||
| 186 | G | 85 | Confident | 87.7 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | trans | -145.2 | 168.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112 | E188 H189 | G186-E188 WeakPolarHBondContact CA-OE2 3.19Å; G186-E188 PolarHBondContact O-N 2.85Å; G186-H189 PolarHBondContact N-ND1 2.8Å; G186-H189 VanDerWaalsContact O-CB 3.28Å; G186-H189 WeakPolarHBondContact O-CB 3.3Å; G186-H189 PolarHBondContact O-N 2.93Å | ||
| 187 | I | 79.2 | Confident | 88.1 | Confident | 109 Ų | 109 | 26.3 Ų | 26.3 | 56% | 0.559 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -61.4 | -33.3 | -176.7 | -59.6 | 173.1 | 0 | 0 | 0 | 111.2 | L138 H189 T190 | L138-I187 HydrophobicContact CD1-CG1 4.21Å; L138-I187 HydrophobicContact CD2-CG1 4.23Å; I187-H189 PolarHBondContact O-N 2.69Å; I187-T190 WeakPolarHBondContact O-CB 3.48Å; I187-T190 PolarHBondContact O-N 3.44Å; I187-T190 VanDerWaalsContact O-N 3.11Å; I187-T190 PolarHBondContact O-OG1 3.04Å |
| 188 | E | 80.9 | Confident | 88.3 | Confident | 100 Ų | 100 | 25.4 Ų | 25.4 | 47% | 0.467 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -66.2 | -13.2 | 175.4 | 80 | -79.9 | -148.2 | 0 | 0 | 114.2 | H163 P170 G186 | H163-E188 PolarHBondContact CE1-O 2.8Å; P170-E188 HydrophobicContact CB-CG 4.12Å; G186-E188 WeakPolarHBondContact CA-OE2 3.19Å; G186-E188 PolarHBondContact O-N 2.85Å |
| 189 | H | 88.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -92.8 | -4.4 | 176.4 | -59.1 | 91.3 | 0 | 0 | 0 | 113 | P170 N171 I182 F185 G186 I187 Y193 | P170-H189 VanDerWaalsContact CG-CD2 3.49Å; P170-H189 WeakPolarHBondContact CG-CD2 3.35Å; N171-H189 PolarHBondContact N-NE2 3.04Å; N171-H189 PolarHBondContact O-NE2 3.4Å; I182-H189 HydrophobicContact CD1-CB 4.11Å; I182-H189 HydrophobicContact CG2-CB 4.4Å; I182-H189 WeakPolarHBondContact CG2-CD2 3.36Å; F185-H189 HydrophobicContact CD2-CB 3.69Å; F185-H189 HydrophobicContact CE2-CB 3.48Å; F185-H189 VanDerWaalsContact CE2-CB 3.48Å; F185-H189 HydrophobicContact CZ-CB 4.38Å; G186-H189 PolarHBondContact N-ND1 2.8Å; G186-H189 VanDerWaalsContact O-CB 3.28Å; G186-H189 WeakPolarHBondContact O-CB 3.3Å; G186-H189 PolarHBondContact O-N 2.93Å; I187-H189 PolarHBondContact O-N 2.69Å; H189-Y193 WeakPolarHBondContact O-CE2 3.24Å; H189-Y193 PolarHBondContact O-OH 2.86Å |
| 190 | T | 84.1 | Confident | 87.4 | Confident | 25 Ų | 25 | 28 Ų | 28 | 15% | 0.153 | 16% | 0.159 | C | C | . | . | trans | -70.6 | 149.5 | 172.2 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | H163 F185 I187 I212 M214 | H163-T190 PolarHBondContact CE1-O 2.89Å; H163-T190 VanDerWaalsContact CE1-O 3.29Å; H163-T190 PolarHBondContact NE2-O 3.02Å; F185-T190 HydrophobicContact CZ-CG2 4.24Å; I187-T190 WeakPolarHBondContact O-CB 3.48Å; I187-T190 PolarHBondContact O-N 3.44Å; I187-T190 VanDerWaalsContact O-N 3.11Å; I187-T190 PolarHBondContact O-OG1 3.04Å; T190-I212 CarbonylContact C-O 3.56Å; T190-I212 VanDerWaalsContact CA-O 3.26Å; T190-I212 WeakPolarHBondContact CA-O 3.2Å; T190-I212 WeakPolarHBondContact CB-O 3.42Å; T190-M214 HydrophobicContact CG2-CB 4.46Å; T190-M214 HydrophobicContact CG2-CG 4.12Å | ||
| 191 | G | 83.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | -161.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N164 L211 I212 | N164-G191 WeakPolarHBondContact OD1-CA 3.42Å; G191-L211 WeakPolarHBondContact O-CA 3.46Å; G191-I212 PolarHBondContact N-O 3.27Å; G191-I212 PolarHBondContact O-N 2.92Å |
| 192 | S | 85.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.4 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | H163 N164 P209 | H163-S192 CarbonylContact C-O 3.49Å; H163-S192 WeakPolarHBondContact CA-O 3.4Å; N164-S192 PolarHBondContact N-O 3.34Å; N164-S192 PolarHBondContact OD1-N 2.84Å; S192-P209 WeakPolarHBondContact OG-CB 3.27Å |
| 193 | Y | 90.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.6 | 174 | -69.6 | -91.8 | 0 | 0 | 0 | 111.4 | L144 F162 H163 L180 H189 F210 I212 | L144-Y193 HydrophobicContact CD1-CD1 3.87Å; L144-Y193 HydrophobicContact CD1-CD2 4Å; L144-Y193 HydrophobicContact CD1-CE1 4.3Å; L144-Y193 HydrophobicContact CD1-CE2 4.43Å; L144-Y193 HydrophobicContact CD1-CG 3.7Å; F162-Y193 WeakPolarHBondContact O-CA 3.43Å; H163-Y193 HydrophobicContact CB-CD1 4.41Å; H163-Y193 HydrophobicContact CB-CE1 4.18Å; H163-Y193 AromaticContact CD2-CE1 3.7Å; H163-Y193 AromaticContact CD2-CE2 3.69Å; H163-Y193 AromaticContact CD2-CZ 3.42Å; H163-Y193 VanDerWaalsContact CD2-CZ 3.42Å; H163-Y193 AromaticContact NE2-CZ 3.97Å; L180-Y193 HydrophobicContact CD2-CD1 3.78Å; L180-Y193 HydrophobicContact CD2-CE1 3.74Å; H189-Y193 WeakPolarHBondContact O-CE2 3.24Å; H189-Y193 PolarHBondContact O-OH 2.86Å; Y193-F210 PolarHBondContact N-O 3.41Å; Y193-F210 PolarHBondContact O-N 2.94Å; Y193-I212 HydrophobicContact CD2-CD1 4.14Å; Y193-I212 HydrophobicContact CD2-CG1 4.23Å; Y193-I212 HydrophobicContact CE2-CD1 3.83Å; Y193-I212 HydrophobicContact CE2-CG1 4.18Å |
| 194 | H | 89.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.1 | 164.9 | -72.8 | -105.3 | 0 | 0 | 0 | 110.6 | F162 S206 L269 L320 | F162-H194 PolarHBondContact N-O 2.95Å; F162-H194 PolarHBondContact O-N 3.19Å; H194-S206 VanDerWaalsContact CA-OG 3.31Å; H194-S206 WeakPolarHBondContact CA-OG 3.35Å; H194-S206 PolarHBondContact ND1-O 3.19Å; H194-L269 HydrophobicContact CB-CD1 4.21Å; H194-L320 VanDerWaalsContact CD2-CD2 3.48Å; H194-L320 WeakPolarHBondContact CD2-CD2 3.36Å; H194-L320 WeakPolarHBondContact NE2-CD2 3.39Å |
| 195 | C | 91.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 156.1 | 160.5 | 73.9 | 0 | 0 | 0 | 0 | 111 | V125 C146 I159 K160 W161 S206 | V125-C195 HydrophobicContact CG2-CB 3.84Å; C146-C195 VanDerWaalsContact CA-SG 3.53Å; C146-C195 HydrophobicContact CB-CB 3.58Å; C146-C195 WeakPolarHBondContact CB-SG 3.02Å; C146-C195 WeakPolarHBondContact SG-CB 3.34Å; C146-C195 CovalentContact SG-SG 2.03Å; C146-C195 PolarHBondContact SG-SG 3.4Å; I159-C195 HydrophobicContact CG2-CB 4.36Å; K160-C195 CarbonylContact O-C 3.58Å; K160-C195 WeakPolarHBondContact O-CA 3.22Å; W161-C195 HydrophobicContact CD2-CB 4.09Å; W161-C195 HydrophobicContact CE3-CB 3.91Å; W161-C195 HydrophobicContact CH2-CB 4.19Å; W161-C195 HydrophobicContact CZ2-CB 4.34Å; W161-C195 HydrophobicContact CZ3-CB 3.98Å; C195-S206 PolarHBondContact N-OG 2.9Å; C195-S206 WeakPolarHBondContact O-CB 3.49Å; C195-S206 PolarHBondContact O-N 2.85Å; C195-S206 PolarHBondContact O-OG 3.46Å |
| 196 | R | 89.8 | Confident | 84.3 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 113.7 | -178.9 | 164.9 | 174.4 | -77 | 169.2 | -3.1 | 107.9 | I159 K160 F162 I198 K203 L204 D205 L269 | I159-R196 WeakPolarHBondContact CA-O 3.07Å; K160-R196 HydrophobicContact CB-CB 4.2Å; K160-R196 HydrophobicContact CB-CG 4.47Å; K160-R196 PolarHBondContact N-O 3.39Å; K160-R196 PolarHBondContact O-N 3.18Å; F162-R196 HydrophobicContact CD2-CB 4.49Å; F162-R196 HydrophobicContact CE2-CB 3.75Å; F162-R196 HydrophobicContact CE2-CG 4.45Å; R196-I198 HydrophobicContact CG-CD1 4.32Å; R196-I198 HydrophobicContact CG-CG1 4.02Å; R196-K203 HydrophobicContact CG-CG 4.4Å; R196-K203 VanDerWaalsContact NE-CE 3.27Å; R196-L204 CarbonylContact C-O 3.52Å; R196-L204 VanDerWaalsContact CA-O 3.32Å; R196-L204 WeakPolarHBondContact CA-O 3.35Å; R196-D205 VanDerWaalsContact CB-OD1 3.31Å; R196-D205 WeakPolarHBondContact CB-OD1 3.19Å; R196-D205 WeakPolarHBondContact CD-OD1 3.42Å; R196-D205 WeakPolarHBondContact CG-OD1 3.37Å; R196-D205 IonicContact CZ-OD1 2.7Å; R196-D205 IonicContact CZ-OD2 3.04Å; R196-D205 IonicContact NE-OD1 3.19Å; R196-D205 PolarHBondContact NE-OD1 2.91Å; R196-D205 IonicContact NE-OD2 2.78Å; R196-D205 PolarHBondContact NE-OD2 2.78Å; R196-D205 IonicContact NH2-OD1 2.79Å; R196-D205 PolarHBondContact NH2-OD1 2.91Å; R196-D205 IonicContact NH2-OD2 3.24Å; R196-D205 PolarHBondContact NH2-OD2 2.84Å; R196-L269 PolarHBondContact NH1-O 2.75Å |
| 197 | A | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | M119 V148 L154 K203 L204 | M119-A197 HydrophobicContact CE-CB 4.41Å; M119-A197 HydrophobicContact SD-CB 3.71Å; V148-A197 HydrophobicContact CG1-CB 4.17Å; V148-A197 HydrophobicContact CG2-CB 4.26Å; L154-A197 HydrophobicContact CD1-CB 4Å; A197-K203 VanDerWaalsContact O-CA 3.29Å; A197-K203 WeakPolarHBondContact O-CA 3.41Å; A197-L204 PolarHBondContact N-O 3.47Å; A197-L204 PolarHBondContact O-N 3.31Å |
| 198 | I | 87.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 25.3 Ų | 25.3 | 33% | 0.328 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 84.6 | -179.4 | -50.8 | 177.5 | 0 | 0 | 0 | 108 | N158 K160 R196 K203 | N158-I198 VanDerWaalsContact CB-O 3.29Å; N158-I198 WeakPolarHBondContact CB-O 3.49Å; N158-I198 PolarHBondContact ND2-O 2.85Å; N158-I198 PolarHBondContact O-N 2.79Å; K160-I198 HydrophobicContact CG-CD1 3.82Å; R196-I198 HydrophobicContact CG-CD1 4.32Å; R196-I198 HydrophobicContact CG-CG1 4.02Å; I198-K203 HydrophobicContact CG1-CG 4.41Å |
| 199 | H | 84.8 | Confident | 83.3 | Confident | 17 Ų | 17 | 21.1 Ų | 21.1 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 173.1 | 178 | -168.4 | -123.6 | 0 | 0 | 0 | 111.7 | W118 M119 N151 P152 L154 A201 G202 | W118-H199 PolarHBondContact O-CE1 2.9Å; W118-H199 PolarHBondContact O-ND1 2.81Å; M119-H199 HydrophobicContact CB-CB 4.35Å; M119-H199 HydrophobicContact CE-CB 3.88Å; M119-H199 HydrophobicContact SD-CB 3.65Å; N151-H199 PolarHBondContact O-CE1 2.75Å; P152-H199 WeakPolarHBondContact CD-NE2 3.47Å; P152-H199 PolarHBondContact O-NE2 2.89Å; L154-H199 HydrophobicContact CD2-CB 3.99Å; H199-A201 PolarHBondContact ND1-N 3.43Å; H199-A201 VanDerWaalsContact ND1-N 3.19Å; H199-G202 WeakPolarHBondContact CA-O 3.29Å; H199-G202 PolarHBondContact N-O 2.96Å; H199-G202 PolarHBondContact O-N 2.6Å |
| 200 | A | 77.5 | Confident | 83.2 | Confident | 53 Ų | 53 | 22.7 Ų | 22.7 | 44% | 0.438 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -45.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y117 G202 | Y117-A200 HydrophobicContact CD2-CB 3.42Å; Y117-A200 VanDerWaalsContact CD2-CB 3.42Å; Y117-A200 HydrophobicContact CE2-CB 3.58Å; A200-G202 PolarHBondContact O-N 3.3Å |
| 201 | A | 74.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 42.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E35 H199 P364 S365 | E35-A201 HydrophobicContact CG-CB 4.34Å; H199-A201 PolarHBondContact ND1-N 3.43Å; H199-A201 VanDerWaalsContact ND1-N 3.19Å; A201-P364 CarbonylContact O-C 3.58Å; A201-P364 WeakPolarHBondContact O-CB 3.37Å; A201-P364 VanDerWaalsContact O-CD 3.25Å; A201-P364 WeakPolarHBondContact O-CD 3.33Å; A201-S365 WeakPolarHBondContact CA-OG 3.49Å; A201-S365 PolarHBondContact O-N 3.13Å |
| 202 | G | 76.6 | Confident | 83.2 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.4 | -157.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | M119 H199 A200 P364 S365 | M119-G202 WeakPolarHBondContact CE-O 3.41Å; H199-G202 WeakPolarHBondContact CA-O 3.29Å; H199-G202 PolarHBondContact N-O 2.96Å; H199-G202 PolarHBondContact O-N 2.6Å; A200-G202 PolarHBondContact O-N 3.3Å; G202-P364 WeakPolarHBondContact CA-O 3.45Å; G202-S365 VanDerWaalsContact CA-CA 3.45Å |
| 203 | K | 80.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 22 Ų | 22 | 24% | 0.243 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.8 | -159.3 | 173.2 | -177.4 | 159.5 | -174.3 | 0 | 112.3 | R196 A197 I198 P364 S367 | R196-K203 HydrophobicContact CG-CG 4.4Å; R196-K203 VanDerWaalsContact NE-CE 3.27Å; A197-K203 VanDerWaalsContact O-CA 3.29Å; A197-K203 WeakPolarHBondContact O-CA 3.41Å; I198-K203 HydrophobicContact CG1-CG 4.41Å; K203-P364 PolarHBondContact N-O 3.03Å; K203-S367 PolarHBondContact O-OG 2.84Å |
| 204 | L | 81.1 | Confident | 82 | Confident | 27 Ų | 27 | 22.8 Ų | 22.8 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.4 | 176.1 | -69.1 | 174.9 | 0 | 0 | 0 | 111.3 | M119 D120 V123 R196 A197 P364 | M119-L204 HydrophobicContact CE-CB 4.18Å; M119-L204 HydrophobicContact CE-CD1 3.92Å; M119-L204 HydrophobicContact CE-CG 3.87Å; M119-L204 HydrophobicContact CG-CD1 4.36Å; D120-L204 WeakPolarHBondContact O-CD1 3.33Å; V123-L204 HydrophobicContact CG2-CB 3.71Å; V123-L204 HydrophobicContact CG2-CD1 3.71Å; V123-L204 HydrophobicContact CG2-CG 4.39Å; R196-L204 CarbonylContact C-O 3.52Å; R196-L204 VanDerWaalsContact CA-O 3.32Å; R196-L204 WeakPolarHBondContact CA-O 3.35Å; A197-L204 PolarHBondContact N-O 3.47Å; A197-L204 PolarHBondContact O-N 3.31Å; L204-P364 HydrophobicContact CD1-CB 4.32Å; L204-P364 HydrophobicContact CD1-CG 3.65Å; L204-P364 HydrophobicContact CD2-CB 4.02Å; L204-P364 HydrophobicContact CD2-CG 4.02Å; L204-P364 HydrophobicContact CG-CB 3.84Å; L204-P364 HydrophobicContact CG-CG 3.73Å |
| 205 | D | 83.5 | Confident | 81 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 145.8 | 174.8 | -66.6 | -15 | 0 | 0 | 0 | 110 | R196 L269 | R196-D205 VanDerWaalsContact CB-OD1 3.31Å; R196-D205 WeakPolarHBondContact CB-OD1 3.19Å; R196-D205 WeakPolarHBondContact CD-OD1 3.42Å; R196-D205 WeakPolarHBondContact CG-OD1 3.37Å; R196-D205 IonicContact CZ-OD1 2.7Å; R196-D205 IonicContact CZ-OD2 3.04Å; R196-D205 IonicContact NE-OD1 3.19Å; R196-D205 PolarHBondContact NE-OD1 2.91Å; R196-D205 IonicContact NE-OD2 2.78Å; R196-D205 PolarHBondContact NE-OD2 2.78Å; R196-D205 IonicContact NH2-OD1 2.79Å; R196-D205 PolarHBondContact NH2-OD1 2.91Å; R196-D205 IonicContact NH2-OD2 3.24Å; R196-D205 PolarHBondContact NH2-OD2 2.84Å; D205-L269 HydrophobicContact CB-CD1 4.44Å |
| 206 | S | 85.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -71.4 | 133.7 | -174.2 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | V123 H194 C195 | V123-S206 CarbonylContact O-C 3.59Å; V123-S206 VanDerWaalsContact O-CA 3.22Å; V123-S206 WeakPolarHBondContact O-CA 3.36Å; H194-S206 VanDerWaalsContact CA-OG 3.31Å; H194-S206 WeakPolarHBondContact CA-OG 3.35Å; H194-S206 PolarHBondContact ND1-O 3.19Å; C195-S206 PolarHBondContact N-OG 2.9Å; C195-S206 WeakPolarHBondContact O-CB 3.49Å; C195-S206 PolarHBondContact O-N 2.85Å; C195-S206 PolarHBondContact O-OG 3.46Å | ||
| 207 | R | 76 | Confident | 78.3 | Confident | 57 Ų | 57 | 30.5 Ų | 30.5 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -136.4 | 128.4 | -176.7 | -66.6 | 173.4 | -65.7 | -175.5 | 5.6 | 110.7 | V123 Q322 | V123-R207 PolarHBondContact O-N 3Å; R207-Q322 VanDerWaalsContact CG-OE1 3.3Å |
| 208 | P | 72.4 | Confident | 77 | Confident | 74 Ų | 74 | 38.1 Ų | 38.1 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | S | Bend | cis | -68.3 | 173.6 | -10.9 | 32.3 | -36.8 | 0 | 0 | 0 | 112.4 | ||
| 209 | P | 76.6 | Confident | 75.5 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -52.9 | 150 | 159.3 | 19.5 | -31.7 | 0 | 0 | 0 | 113 | S192 F231 | S192-P209 WeakPolarHBondContact OG-CB 3.27Å; P209-F231 HydrophobicContact CG-CB 3.76Å; P209-F231 HydrophobicContact CG-CD2 3.87Å; P209-F231 HydrophobicContact CG-CG 3.86Å | ||
| 210 | F | 85.6 | Confident | 74.6 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 106.6 | 165.8 | -171.6 | -86.2 | 0 | 0 | 0 | 109.1 | V125 L127 Y133 L144 Y193 I212 | V125-F210 HydrophobicContact CB-CB 3.7Å; V125-F210 HydrophobicContact CB-CG 4.41Å; V125-F210 HydrophobicContact CG1-CB 3.48Å; V125-F210 VanDerWaalsContact CG1-CB 3.48Å; V125-F210 HydrophobicContact CG1-CD1 4.4Å; V125-F210 HydrophobicContact CG1-CD2 4.21Å; V125-F210 HydrophobicContact CG1-CG 3.8Å; L127-F210 HydrophobicContact CB-CE2 4.19Å; L127-F210 HydrophobicContact CB-CZ 3.85Å; L127-F210 HydrophobicContact CD1-CE1 4.48Å; L127-F210 HydrophobicContact CD1-CZ 4.19Å; L127-F210 HydrophobicContact CG-CZ 4.44Å; Y133-F210 HydrophobicContact CD2-CE1 4.49Å; Y133-F210 HydrophobicContact CD2-CZ 4Å; Y133-F210 HydrophobicContact CE2-CZ 4.41Å; L144-F210 HydrophobicContact CD1-CD1 4.29Å; L144-F210 HydrophobicContact CD2-CD1 3.77Å; L144-F210 HydrophobicContact CD2-CE1 3.47Å; L144-F210 VanDerWaalsContact CD2-CE1 3.47Å; L144-F210 HydrophobicContact CD2-CG 4.49Å; L144-F210 HydrophobicContact CD2-CZ 3.98Å; Y193-F210 PolarHBondContact N-O 3.41Å; Y193-F210 PolarHBondContact O-N 2.94Å; F210-I212 HydrophobicContact CD1-CD1 4.26Å; F210-I212 HydrophobicContact CD1-CG1 3.86Å; F210-I212 HydrophobicContact CE1-CD1 3.87Å; F210-I212 HydrophobicContact CE1-CG1 3.6Å |
| 211 | L | 84 | Confident | 74 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 142.4 | 177.4 | -67 | 173.4 | 0 | 0 | 0 | 110.8 | Y133 G191 L226 F231 F319 | Y133-L211 VanDerWaalsContact CE2-O 3.24Å; Y133-L211 WeakPolarHBondContact CE2-O 3.27Å; Y133-L211 PolarHBondContact OH-O 3.12Å; G191-L211 WeakPolarHBondContact O-CA 3.46Å; L211-L226 HydrophobicContact CD1-CB 4.18Å; L211-F231 HydrophobicContact CD1-CE2 3.57Å; L211-F231 HydrophobicContact CD1-CZ 3.64Å; L211-F231 HydrophobicContact CG-CE2 4.45Å; L211-F319 HydrophobicContact CD1-CD1 4.38Å; L211-F319 HydrophobicContact CD1-CE1 4.32Å; L211-F319 HydrophobicContact CD2-CD1 4.38Å |
| 212 | I | 84.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 112.9 | 162.8 | -48.7 | 180 | 0 | 0 | 0 | 107.5 | I136 V142 L144 F185 T190 G191 Y193 F210 L222 | I136-I212 HydrophobicContact CD1-CG2 4.39Å; I136-I212 HydrophobicContact CG2-CG2 4.46Å; V142-I212 HydrophobicContact CG1-CD1 4.27Å; L144-I212 HydrophobicContact CD1-CD1 4.43Å; F185-I212 HydrophobicContact CE1-CG2 4.39Å; F185-I212 HydrophobicContact CE2-CD1 4.38Å; F185-I212 HydrophobicContact CE2-CG2 3.98Å; F185-I212 HydrophobicContact CZ-CG2 3.51Å; T190-I212 CarbonylContact C-O 3.56Å; T190-I212 VanDerWaalsContact CA-O 3.26Å; T190-I212 WeakPolarHBondContact CA-O 3.2Å; T190-I212 WeakPolarHBondContact CB-O 3.42Å; G191-I212 PolarHBondContact N-O 3.27Å; G191-I212 PolarHBondContact O-N 2.92Å; Y193-I212 HydrophobicContact CD2-CD1 4.14Å; Y193-I212 HydrophobicContact CD2-CG1 4.23Å; Y193-I212 HydrophobicContact CE2-CD1 3.83Å; Y193-I212 HydrophobicContact CE2-CG1 4.18Å; F210-I212 HydrophobicContact CD1-CD1 4.26Å; F210-I212 HydrophobicContact CD1-CG1 3.86Å; F210-I212 HydrophobicContact CE1-CD1 3.87Å; F210-I212 HydrophobicContact CE1-CG1 3.6Å; I212-L222 HydrophobicContact CG2-CD1 3.95Å |
| 213 | Q | 77.6 | Confident | 73.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | trans | -135.2 | 143.9 | -177.6 | -64.6 | -169.3 | 2.6 | 0 | 0 | 111 | L222 I223 Y317 | Q213-L222 WeakPolarHBondContact O-CA 3.37Å; Q213-L222 WeakPolarHBondContact O-CD1 3.48Å; Q213-I223 HydrophobicContact CB-CB 4.29Å; Q213-I223 HydrophobicContact CB-CD1 4.36Å; Q213-I223 PolarHBondContact O-N 3.01Å; Q213-Y317 HydrophobicContact CB-CD1 4.01Å; Q213-Y317 HydrophobicContact CB-CE1 4.21Å; Q213-Y317 HydrophobicContact CG-CD1 4.05Å | ||
| 214 | M | 73.6 | Confident | 72.6 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 147.9 | -179.4 | -57.1 | -168.4 | 87 | 0 | 0 | 111.2 | L138 F185 T190 P220 K221 L222 Y317 | L138-M214 HydrophobicContact CD2-SD 3.62Å; L138-M214 HydrophobicContact CG-CE 4.29Å; L138-M214 HydrophobicContact CG-SD 3.95Å; F185-M214 HydrophobicContact CE1-CG 4.5Å; F185-M214 HydrophobicContact CE1-SD 3.71Å; T190-M214 HydrophobicContact CG2-CB 4.46Å; T190-M214 HydrophobicContact CG2-CG 4.12Å; M214-P220 HydrophobicContact CB-CB 4.45Å; M214-P220 HydrophobicContact CE-CB 3.96Å; M214-P220 HydrophobicContact CE-CG 4.08Å; M214-P220 VanDerWaalsContact CE-O 3.23Å; M214-P220 WeakPolarHBondContact CE-O 3.34Å; M214-P220 HydrophobicContact SD-CB 4.49Å; M214-K221 CarbonylContact C-O 3.53Å; M214-K221 WeakPolarHBondContact CA-O 3.46Å; M214-L222 HydrophobicContact CG-CD1 4.24Å; M214-Y317 WeakPolarHBondContact O-CE1 3.45Å; M214-Y317 PolarHBondContact O-OH 2.87Å; M214-Y317 VanDerWaalsContact O-OH 3.06Å |
| 215 | T | 67.4 | Low | 72 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -78.4 | 152.3 | 169.1 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | D217 P220 K221 I223 | T215-D217 WeakPolarHBondContact CB-OD2 3.29Å; T215-D217 PolarHBondContact O-N 2.71Å; T215-D217 WeakPolarHBondContact OG1-CB 3.23Å; T215-D217 VanDerWaalsContact OG1-CG 3.31Å; T215-D217 PolarHBondContact OG1-OD2 3.24Å; T215-P220 WeakPolarHBondContact O-CA 3.38Å; T215-P220 WeakPolarHBondContact O-CB 3.48Å; T215-K221 PolarHBondContact N-O 2.84Å; T215-K221 PolarHBondContact OG1-N 2.83Å; T215-K221 VanDerWaalsContact OG1-N 3.08Å; T215-K221 PolarHBondContact OG1-O 3.06Å; T215-I223 HydrophobicContact CG2-CD1 3.95Å; T215-I223 HydrophobicContact CG2-CG1 3.83Å | ||
| 216 | N | 62 | Low | 71.2 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.4 | 24.5 | 165.8 | -100.4 | -26.3 | 0 | 0 | 0 | 114.2 | S313 S314 D315 | N216-S313 PolarHBondContact ND2-OG 3.33Å; N216-S314 PolarHBondContact ND2-OG 3.34Å; N216-D315 PolarHBondContact ND2-OD2 3.04Å |
| 217 | D | 63.2 | Low | 70.2 | Confident | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -64.3 | 160.5 | 167.8 | -75.5 | -72 | 0 | 0 | 0 | 110.9 | T215 P219 P220 K221 | T215-D217 WeakPolarHBondContact CB-OD2 3.29Å; T215-D217 PolarHBondContact O-N 2.71Å; T215-D217 WeakPolarHBondContact OG1-CB 3.23Å; T215-D217 VanDerWaalsContact OG1-CG 3.31Å; T215-D217 PolarHBondContact OG1-OD2 3.24Å; D217-P219 WeakPolarHBondContact CB-O 3.48Å; D217-P219 CarbonylContact O-C 3.54Å; D217-P219 VanDerWaalsContact O-C 3.22Å; D217-P220 WeakPolarHBondContact O-CA 3.32Å; D217-P220 WeakPolarHBondContact O-CD 3.43Å; D217-K221 HydrophobicContact CB-CG 4.11Å; D217-K221 IonicContact OD1-NZ 3.68Å; D217-K221 PolarHBondContact OD1-NZ 3.39Å; D217-K221 IonicContact OD2-NZ 4Å; D217-K221 PolarHBondContact OD2-NZ 2.82Å | ||
| 218 | D | 63.4 | Low | 69.6 | Low | 161 Ų | 161 | 59.1 Ų | 59.1 | 86% | 0.861 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -116.5 | 112.6 | 163.6 | -171.2 | 12.6 | 0 | 0 | 0 | 110.2 | ||
| 219 | P | 55.5 | Low | 69.6 | Low | 97 Ų | 97 | 59.7 Ų | 59.7 | 63% | 0.63 | 32% | 0.319 | S | S | * | . | S | Bend | cis | -72.4 | 150.9 | -6.8 | 31.8 | -35.7 | 0 | 0 | 0 | 112.2 | D217 K221 | D217-P219 WeakPolarHBondContact CB-O 3.48Å; D217-P219 CarbonylContact O-C 3.54Å; D217-P219 VanDerWaalsContact O-C 3.22Å; P219-K221 PolarHBondContact O-N 2.82Å |
| 220 | P | 65.3 | Low | 69.7 | Low | 36 Ų | 36 | 65 Ų | 65 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | trans | -65.9 | 134.1 | -174.9 | 23 | -32.5 | 0 | 0 | 0 | 111.6 | L138 M214 T215 D217 | L138-P220 HydrophobicContact CD1-CG 3.51Å; L138-P220 HydrophobicContact CG-CG 3.91Å; M214-P220 HydrophobicContact CB-CB 4.45Å; M214-P220 HydrophobicContact CE-CB 3.96Å; M214-P220 HydrophobicContact CE-CG 4.08Å; M214-P220 VanDerWaalsContact CE-O 3.23Å; M214-P220 WeakPolarHBondContact CE-O 3.34Å; M214-P220 HydrophobicContact SD-CB 4.49Å; T215-P220 WeakPolarHBondContact O-CA 3.38Å; T215-P220 WeakPolarHBondContact O-CB 3.48Å; D217-P220 WeakPolarHBondContact O-CA 3.32Å; D217-P220 WeakPolarHBondContact O-CD 3.43Å | ||
| 221 | K | 65.8 | Low | 69.7 | Low | 118 Ų | 118 | 63.6 Ų | 63.6 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | trans | -104.6 | 139.9 | -173.6 | -51.5 | -168 | -158.8 | 94.7 | 0 | 110.8 | M214 T215 D217 P219 | M214-K221 CarbonylContact C-O 3.53Å; M214-K221 WeakPolarHBondContact CA-O 3.46Å; T215-K221 PolarHBondContact N-O 2.84Å; T215-K221 PolarHBondContact OG1-N 2.83Å; T215-K221 VanDerWaalsContact OG1-N 3.08Å; T215-K221 PolarHBondContact OG1-O 3.06Å; D217-K221 HydrophobicContact CB-CG 4.11Å; D217-K221 IonicContact OD1-NZ 3.68Å; D217-K221 PolarHBondContact OD1-NZ 3.39Å; D217-K221 IonicContact OD2-NZ 4Å; D217-K221 PolarHBondContact OD2-NZ 2.82Å; P219-K221 PolarHBondContact O-N 2.82Å | ||
| 222 | L | 68.9 | Low | 69.7 | Low | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 131 | 178.3 | -165.6 | 76.6 | 0 | 0 | 0 | 110.9 | Y133 I136 I212 Q213 M214 | Y133-L222 HydrophobicContact CD1-CD2 3.34Å; Y133-L222 HydrophobicContact CD1-CG 4.21Å; Y133-L222 HydrophobicContact CD2-CD2 4.21Å; Y133-L222 HydrophobicContact CE1-CD1 4.43Å; Y133-L222 HydrophobicContact CE1-CD2 3.27Å; Y133-L222 HydrophobicContact CE1-CG 3.62Å; Y133-L222 HydrophobicContact CE2-CD2 4.11Å; Y133-L222 HydrophobicContact CG-CD2 3.85Å; Y133-L222 WeakPolarHBondContact O-CD2 3.42Å; I136-L222 HydrophobicContact CB-CD1 4.22Å; I136-L222 HydrophobicContact CB-CD2 4.09Å; I136-L222 HydrophobicContact CD1-CD2 4.38Å; I136-L222 HydrophobicContact CG2-CD1 4.26Å; I212-L222 HydrophobicContact CG2-CD1 3.95Å; Q213-L222 WeakPolarHBondContact O-CA 3.37Å; Q213-L222 WeakPolarHBondContact O-CD1 3.48Å; M214-L222 HydrophobicContact CG-CD1 4.24Å |
| 223 | I | 68.2 | Low | 69.9 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | trans | -85.8 | 121.3 | 180 | -51.7 | -178.9 | 0 | 0 | 0 | 109.2 | Y133 Q213 T215 L226 P248 Y317 | Y133-I223 WeakPolarHBondContact CE1-O 3.16Å; Y133-I223 PolarHBondContact OH-O 3.16Å; Q213-I223 HydrophobicContact CB-CB 4.29Å; Q213-I223 HydrophobicContact CB-CD1 4.36Å; Q213-I223 PolarHBondContact O-N 3.01Å; T215-I223 HydrophobicContact CG2-CD1 3.95Å; T215-I223 HydrophobicContact CG2-CG1 3.83Å; I223-L226 HydrophobicContact CB-CD1 4.36Å; I223-L226 HydrophobicContact CG2-CD1 3.66Å; I223-L226 HydrophobicContact CG2-CG 4.02Å; I223-P248 HydrophobicContact CD1-CB 3.79Å; I223-Y317 HydrophobicContact CD1-CD1 4.5Å; I223-Y317 HydrophobicContact CD1-CE1 3.66Å | ||
| 224 | M | 65.6 | Low | 70.4 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 38% | 0.384 | 36% | 0.358 | S | S | . | . | trans | -99.8 | -34.8 | -177.3 | -97.9 | -71.2 | -155.2 | 0 | 0 | 113.5 | Y133 E134 L226 V227 | Y133-M224 HydrophobicContact CD1-CE 3.64Å; Y133-M224 HydrophobicContact CD1-CG 4.13Å; Y133-M224 HydrophobicContact CD1-SD 3.44Å; Y133-M224 WeakPolarHBondContact CD1-SD 3.3Å; Y133-M224 HydrophobicContact CE1-CG 4.13Å; Y133-M224 HydrophobicContact CE1-SD 3.79Å; Y133-M224 HydrophobicContact CG-CE 4.43Å; E134-M224 HydrophobicContact CG-CE 3.69Å; E134-M224 WeakPolarHBondContact OE1-CE 3.35Å; M224-L226 PolarHBondContact O-N 3.03Å; M224-V227 WeakPolarHBondContact O-CG2 3.5Å; M224-V227 PolarHBondContact O-N 2.89Å; M224-V227 VanDerWaalsContact O-N 3.14Å | ||
| 225 | D | 66.9 | Low | 71.2 | Confident | 132 Ų | 132 | 67.9 Ų | 67.9 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -56.4 | -28.9 | -166.9 | -51.9 | -27 | 0 | 0 | 0 | 113.4 | V227 | D225-V227 PolarHBondContact O-N 2.98Š|
| 226 | L | 68.1 | Low | 72.2 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -77.9 | -16.5 | -172.9 | -61.6 | 166.3 | 0 | 0 | 0 | 114.8 | L211 I223 M224 N228 H229 P246 P248 F319 | L211-L226 HydrophobicContact CD1-CB 4.18Å; I223-L226 HydrophobicContact CB-CD1 4.36Å; I223-L226 HydrophobicContact CG2-CD1 3.66Å; I223-L226 HydrophobicContact CG2-CG 4.02Å; M224-L226 PolarHBondContact O-N 3.03Å; L226-N228 PolarHBondContact O-N 3.22Å; L226-N228 VanDerWaalsContact O-N 3.11Å; L226-H229 PolarHBondContact O-N 3.08Å; L226-H229 VanDerWaalsContact O-N 3.17Å; L226-P246 HydrophobicContact CD2-CB 3.38Å; L226-P246 HydrophobicContact CD2-CG 4.3Å; L226-P248 HydrophobicContact CD1-CB 4.25Å; L226-F319 HydrophobicContact CD1-CE1 3.88Å; L226-F319 HydrophobicContact CD1-CZ 3.88Å; L226-F319 HydrophobicContact CD2-CE1 4.03Å; L226-F319 HydrophobicContact CD2-CZ 4.07Å; L226-F319 HydrophobicContact CG-CE1 4.41Å |
| 227 | V | 64.8 | Low | 73.4 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -62.5 | -20.5 | -177.2 | 177.3 | 0 | 0 | 0 | 0 | 112 | Y133 M224 D225 | Y133-V227 HydrophobicContact CE1-CG2 4.39Å; M224-V227 WeakPolarHBondContact O-CG2 3.5Å; M224-V227 PolarHBondContact O-N 2.89Å; M224-V227 VanDerWaalsContact O-N 3.14Å; D225-V227 PolarHBondContact O-N 2.98Å |
| 228 | N | 63.4 | Low | 74.6 | Confident | 149 Ų | 149 | 72.9 Ų | 72.9 | 80% | 0.797 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -89.4 | -0.2 | -179.5 | -60.8 | -60.7 | 0 | 0 | 0 | 114.8 | L226 | L226-N228 PolarHBondContact O-N 3.22Å; L226-N228 VanDerWaalsContact O-N 3.11Å |
| 229 | H | 71.4 | Confident | 76 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | trans | -78.5 | 139.6 | -179.9 | -75.6 | -67.3 | 0 | 0 | 0 | 113 | L226 F231 | L226-H229 PolarHBondContact O-N 3.08Å; L226-H229 VanDerWaalsContact O-N 3.17Å; H229-F231 HydrophobicContact CB-CD2 4.29Å; H229-F231 HydrophobicContact CB-CE1 4.26Å; H229-F231 HydrophobicContact CB-CE2 3.56Å; H229-F231 HydrophobicContact CB-CZ 3.53Å; H229-F231 WeakPolarHBondContact O-CD2 3.29Å; H229-F231 WeakPolarHBondContact O-CE2 3.19Å; H229-F231 PolarHBondContact O-N 2.82Å | ||
| 230 | E | 78.4 | Confident | 77.8 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | trans | -83.1 | 93.8 | 176.4 | -175.3 | -173.9 | -139.9 | 0 | 0 | 110.9 | S232 K233 | E230-S232 WeakPolarHBondContact CG-O 3.46Å; E230-K233 HydrophobicContact CG-CD 4.28Å; E230-K233 VanDerWaalsContact O-CE 3.25Å; E230-K233 WeakPolarHBondContact O-CE 3.42Å; E230-K233 IonicContact OE2-NZ 2.74Å; E230-K233 PolarHBondContact OE2-NZ 3.18Å | ||
| 231 | F | 84.9 | Confident | 79.1 | Confident | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | trans | -81.3 | -21.4 | 178.8 | -65.4 | -73.7 | 0 | 0 | 0 | 114.4 | P209 L211 H229 P246 F319 F321 Q322 | P209-F231 HydrophobicContact CG-CB 3.76Å; P209-F231 HydrophobicContact CG-CD2 3.87Å; P209-F231 HydrophobicContact CG-CG 3.86Å; L211-F231 HydrophobicContact CD1-CE2 3.57Å; L211-F231 HydrophobicContact CD1-CZ 3.64Å; L211-F231 HydrophobicContact CG-CE2 4.45Å; H229-F231 HydrophobicContact CB-CD2 4.29Å; H229-F231 HydrophobicContact CB-CE1 4.26Å; H229-F231 HydrophobicContact CB-CE2 3.56Å; H229-F231 HydrophobicContact CB-CZ 3.53Å; H229-F231 WeakPolarHBondContact O-CD2 3.29Å; H229-F231 WeakPolarHBondContact O-CE2 3.19Å; H229-F231 PolarHBondContact O-N 2.82Å; F231-P246 HydrophobicContact CE1-CG 4.17Å; F231-P246 HydrophobicContact CZ-CG 4.29Å; F231-F319 HydrophobicContact CE1-CB 4.08Å; F231-F319 AromaticContact CE1-CD1 3.72Å; F231-F319 HydrophobicContact CE1-CD1 3.72Å; F231-F319 HydrophobicContact CE1-CG 4.3Å; F231-F319 AromaticContact CZ-CD1 3.85Å; F231-F319 HydrophobicContact CZ-CD1 3.85Å; F231-F319 HydrophobicContact CZ-CE1 4.41Å; F231-F321 AromaticContact CD1-CD1 3.95Å; F231-F321 HydrophobicContact CD1-CD1 3.95Å; F231-F321 AromaticContact CD1-CE1 3.84Å; F231-F321 HydrophobicContact CD1-CE1 3.84Å; F231-F321 HydrophobicContact CD1-CG 4.49Å; F231-F321 HydrophobicContact CD1-CZ 4.29Å; F231-F321 HydrophobicContact CE1-CE1 4.22Å; F231-F321 HydrophobicContact CE1-CZ 4.35Å; F231-F321 CarbonylContact O-C 3.58Å; F231-F321 WeakPolarHBondContact O-CA 3.48Å; F231-Q322 PolarHBondContact O-N 3.03Å | ||
| 232 | S | 85.3 | Confident | 80.4 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.2 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | E230 Q322 | E230-S232 WeakPolarHBondContact CG-O 3.46Å; S232-Q322 CarbonylContact C-O 3.49Å; S232-Q322 WeakPolarHBondContact CA-O 3.49Å |
| 233 | K | 88.9 | Confident | 81.6 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.3 | -178.7 | -63.3 | -66.1 | -172.4 | 178.2 | 0 | 110.7 | E230 V241 L243 Q322 V323 E324 | E230-K233 HydrophobicContact CG-CD 4.28Å; E230-K233 VanDerWaalsContact O-CE 3.25Å; E230-K233 WeakPolarHBondContact O-CE 3.42Å; E230-K233 IonicContact OE2-NZ 2.74Å; E230-K233 PolarHBondContact OE2-NZ 3.18Å; K233-V241 HydrophobicContact CB-CG2 4.34Å; K233-L243 HydrophobicContact CB-CD2 4.47Å; K233-L243 HydrophobicContact CG-CD2 3.86Å; K233-Q322 PolarHBondContact N-O 2.82Å; K233-V323 HydrophobicContact CB-CG1 4.31Å; K233-V323 HydrophobicContact CB-CG2 4.35Å; K233-V323 WeakPolarHBondContact O-CA 3.44Å; K233-E324 PolarHBondContact O-N 3.39Å |
| 234 | F | 88 | Confident | 82.6 | Confident | 44 Ų | 44 | 74 Ų | 74 | 19% | 0.193 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116 | 179.9 | -56.4 | -82 | 0 | 0 | 0 | 110.6 | E324 A326 N375 P376 T443 | F234-E324 CarbonylContact C-O 3.58Å; F234-E324 WeakPolarHBondContact CA-O 3.3Å; F234-E324 HydrophobicContact CD1-CB 4.13Å; F234-E324 HydrophobicContact CE1-CB 4.34Å; F234-E324 WeakPolarHBondContact CE1-OE2 3.49Å; F234-A326 HydrophobicContact CB-CB 4.32Å; F234-N375 WeakPolarHBondContact CE1-OD1 3.32Å; F234-P376 HydrophobicContact CB-CG 4.25Å; F234-P376 HydrophobicContact CD1-CB 4Å; F234-P376 HydrophobicContact CD1-CG 4.18Å; F234-P376 HydrophobicContact CD2-CB 3.94Å; F234-P376 HydrophobicContact CD2-CG 3.83Å; F234-P376 HydrophobicContact CE1-CB 3.89Å; F234-P376 HydrophobicContact CE2-CB 3.84Å; F234-P376 HydrophobicContact CE2-CG 4.23Å; F234-P376 HydrophobicContact CG-CB 4.02Å; F234-P376 HydrophobicContact CG-CG 3.81Å; F234-P376 HydrophobicContact CZ-CB 3.82Å; F234-T443 HydrophobicContact CB-CG2 4.22Å; F234-T443 VanDerWaalsContact CB-OG1 3.29Å; F234-T443 WeakPolarHBondContact CB-OG1 3.47Å |
| 235 | V | 89.8 | Confident | 83.7 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.2 | -161.9 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | R239 V241 F296 V323 E324 A326 | V235-R239 HydrophobicContact CG1-CB 4.27Å; V235-V241 HydrophobicContact CB-CB 4.4Å; V235-V241 HydrophobicContact CG1-CB 3.86Å; V235-V241 HydrophobicContact CG1-CG1 4.22Å; V235-V241 HydrophobicContact CG2-CB 3.6Å; V235-V241 HydrophobicContact CG2-CG1 3.89Å; V235-V241 HydrophobicContact CG2-CG2 3.66Å; V235-F296 HydrophobicContact CB-CB 4.27Å; V235-F296 HydrophobicContact CB-CD1 3.67Å; V235-F296 HydrophobicContact CB-CD2 4.27Å; V235-F296 HydrophobicContact CB-CE1 4.04Å; V235-F296 HydrophobicContact CB-CG 3.8Å; V235-F296 HydrophobicContact CB-CZ 4.48Å; V235-F296 HydrophobicContact CG1-CB 3.55Å; V235-F296 HydrophobicContact CG1-CD1 3.92Å; V235-F296 HydrophobicContact CG1-CD2 4.25Å; V235-F296 HydrophobicContact CG1-CG 3.64Å; V235-F296 HydrophobicContact CG2-CD1 4.49Å; V235-F296 HydrophobicContact CG2-CD2 4.37Å; V235-F296 HydrophobicContact CG2-CE2 4.44Å; V235-F296 HydrophobicContact CG2-CG 4.4Å; V235-V323 HydrophobicContact CG2-CG1 3.8Å; V235-E324 PolarHBondContact N-O 2.89Å; V235-A326 PolarHBondContact O-N 2.73Å |
| 236 | M | 87.8 | Confident | 84.5 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | trans | -63.5 | 142 | 173.5 | -79.6 | 179.5 | -85.7 | 0 | 0 | 111.3 | G238 R239 A326 A444 | M236-G238 PolarHBondContact O-N 3.05Å; M236-R239 HydrophobicContact CB-CG 3.75Å; M236-R239 WeakPolarHBondContact O-CB 3.27Å; M236-R239 PolarHBondContact O-N 3.42Å; M236-A326 HydrophobicContact CG-CB 4.25Å; M236-A444 HydrophobicContact CG-CB 4.45Å | ||
| 237 | R | 87.8 | Confident | 85 | Confident | 173 Ų | 173 | 67.9 Ų | 67.9 | 65% | 0.653 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.3 | 176.2 | -159 | -179.7 | -166.9 | -166.1 | 0.6 | 111.6 | R239 F296 D297 L325 | R237-R239 VanDerWaalsContact C-N 3.29Å; R237-R239 PolarHBondContact O-N 3.06Å; R237-F296 CarbonylContact C-O 3.58Å; R237-F296 WeakPolarHBondContact CA-O 3.4Å; R237-D297 IonicContact CZ-OD1 2.8Å; R237-D297 VanDerWaalsContact CZ-OD1 3.24Å; R237-D297 IonicContact CZ-OD2 3.84Å; R237-D297 IonicContact NE-OD1 3.96Å; R237-D297 PolarHBondContact NE-OD1 2.91Å; R237-D297 IonicContact NE-OD2 2.66Å; R237-D297 VanDerWaalsContact NH2-CG 3.31Å; R237-D297 IonicContact NH2-OD1 3.75Å; R237-D297 PolarHBondContact NH2-OD1 2.77Å; R237-D297 IonicContact NH2-OD2 2.93Å; R237-D297 PolarHBondContact NH2-OD2 3.01Å; R237-L325 HydrophobicContact CB-CD1 4.05Å; R237-L325 HydrophobicContact CG-CD1 4.42Å |
| 238 | G | 88.7 | Confident | 85.1 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 2.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | M236 F296 | M236-G238 PolarHBondContact O-N 3.05Å; G238-F296 PolarHBondContact N-O 3.45Å |
| 239 | R | 92 | Very high | 84.9 | Confident | 155 Ų | 155 | 60.6 Ų | 60.6 | 59% | 0.585 | 31% | 0.31 | S | S | * | . | trans | -86 | 151.9 | 167.7 | -61.6 | -59.4 | -173.2 | 151.6 | 0.7 | 110.4 | V235 M236 R237 F296 | V235-R239 HydrophobicContact CG1-CB 4.27Å; M236-R239 HydrophobicContact CB-CG 3.75Å; M236-R239 WeakPolarHBondContact O-CB 3.27Å; M236-R239 PolarHBondContact O-N 3.42Å; R237-R239 VanDerWaalsContact C-N 3.29Å; R237-R239 PolarHBondContact O-N 3.06Å; R239-F296 WeakPolarHBondContact O-CB 2.98Å; R239-F296 PolarHBondContact O-N 3.33Å | ||
| 240 | S | 92.8 | Very high | 84.1 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | trans | -78.4 | 148.2 | 163.9 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | I293 N294 | S240-I293 CarbonylContact C-O 3.59Å; S240-I293 WeakPolarHBondContact CA-O 3.46Å; S240-N294 WeakPolarHBondContact OG-CA 3.49Å; S240-N294 PolarHBondContact OG-OD1 3.23Å | ||
| 241 | V | 93.6 | Very high | 82.7 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.9 | 168.9 | 57 | 0 | 0 | 0 | 0 | 109.4 | K233 V235 L243 V292 I293 F296 V323 | K233-V241 HydrophobicContact CB-CG2 4.34Å; V235-V241 HydrophobicContact CB-CB 4.4Å; V235-V241 HydrophobicContact CG1-CB 3.86Å; V235-V241 HydrophobicContact CG1-CG1 4.22Å; V235-V241 HydrophobicContact CG2-CB 3.6Å; V235-V241 HydrophobicContact CG2-CG1 3.89Å; V235-V241 HydrophobicContact CG2-CG2 3.66Å; V241-L243 HydrophobicContact CG2-CD2 4.06Å; V241-V292 WeakPolarHBondContact O-CA 3.32Å; V241-I293 HydrophobicContact CG1-CB 3.78Å; V241-I293 HydrophobicContact CG1-CD1 3.94Å; V241-I293 HydrophobicContact CG1-CG1 4.23Å; V241-I293 PolarHBondContact N-O 2.56Å; V241-I293 PolarHBondContact O-N 2.79Å; V241-F296 HydrophobicContact CG1-CD2 3.71Å; V241-F296 HydrophobicContact CG1-CE2 4.29Å; V241-F296 HydrophobicContact CG1-CG 4.47Å; V241-V323 HydrophobicContact CG1-CG1 4.26Å |
| 242 | E | 92.9 | Very high | 80.7 | Confident | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.4 | 177.7 | -53.1 | -166.8 | 122.7 | 0 | 0 | 109.2 | K290 V292 | E242-K290 VanDerWaalsContact OE1-CE 3.23Å; E242-K290 WeakPolarHBondContact OE1-CE 3.39Å; E242-K290 IonicContact OE1-NZ 2.66Å; E242-K290 PolarHBondContact OE1-NZ 3.12Å; E242-K290 WeakPolarHBondContact OE2-CE 3.41Å; E242-K290 IonicContact OE2-NZ 2.83Å; E242-K290 PolarHBondContact OE2-NZ 2.79Å; E242-V292 HydrophobicContact CG-CG1 4.36Å; E242-V292 HydrophobicContact CG-CG2 4.17Å |
| 243 | L | 93.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.4 | 172.4 | -48.4 | -179.5 | 0 | 0 | 0 | 107.6 | K233 V241 W263 K290 L291 Y304 F321 V323 | K233-L243 HydrophobicContact CB-CD2 4.47Å; K233-L243 HydrophobicContact CG-CD2 3.86Å; V241-L243 HydrophobicContact CG2-CD2 4.06Å; L243-W263 HydrophobicContact CB-CH2 3.6Å; L243-W263 HydrophobicContact CB-CZ3 3.9Å; L243-W263 HydrophobicContact CD1-CZ3 4.09Å; L243-W263 WeakPolarHBondContact O-CH2 3.48Å; L243-W263 WeakPolarHBondContact O-CZ2 3.47Å; L243-K290 CarbonylContact O-C 3.6Å; L243-K290 WeakPolarHBondContact O-CA 3.37Å; L243-L291 HydrophobicContact CB-CB 4.39Å; L243-L291 HydrophobicContact CD1-CD2 4.2Å; L243-L291 PolarHBondContact N-O 3.15Å; L243-L291 PolarHBondContact O-N 3.45Å; L243-Y304 HydrophobicContact CD1-CD2 4.12Å; L243-Y304 HydrophobicContact CD1-CG 3.89Å; L243-F321 HydrophobicContact CD1-CB 4.3Å; L243-F321 HydrophobicContact CD1-CG 4.34Å; L243-F321 HydrophobicContact CD2-CD1 4.33Å; L243-V323 HydrophobicContact CD1-CG2 3.77Å; L243-V323 HydrophobicContact CD2-CG2 3.72Å; L243-V323 HydrophobicContact CG-CG2 4.37Å |
| 244 | E | 90.2 | Very high | 77.2 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.2 | 175.8 | -172.4 | 178.4 | 162.1 | 0 | 0 | 108.4 | P246 F321 | E244-P246 WeakPolarHBondContact O-CD 3.49Å; E244-F321 WeakPolarHBondContact O-CZ 3.48Å |
| 245 | C | 88.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 119.4 | 176.6 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | T261 W263 T289 C306 | C245-T261 HydrophobicContact CB-CG2 3.98Å; C245-W263 HydrophobicContact CB-CH2 4.16Å; C245-W263 HydrophobicContact CB-CZ2 3.73Å; C245-T289 WeakPolarHBondContact CB-O 3.11Å; C245-T289 PolarHBondContact N-O 2.76Å; C245-C306 VanDerWaalsContact CA-SG 3.58Å; C245-C306 HydrophobicContact CB-CB 3.8Å; C245-C306 WeakPolarHBondContact CB-SG 3.45Å; C245-C306 WeakPolarHBondContact SG-CB 3.35Å; C245-C306 CovalentContact SG-SG 2.04Å; C245-C306 PolarHBondContact SG-SG 2.87Å |
| 246 | P | 84 | Confident | 74 | Confident | 5 Ų | 5 | 89 Ų | 89 | 3% | 0.032 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.8 | -177.2 | -24 | 34.6 | 0 | 0 | 0 | 112.1 | L226 F231 E244 P248 F319 | L226-P246 HydrophobicContact CD2-CB 3.38Å; L226-P246 HydrophobicContact CD2-CG 4.3Å; F231-P246 HydrophobicContact CE1-CG 4.17Å; F231-P246 HydrophobicContact CZ-CG 4.29Å; E244-P246 WeakPolarHBondContact O-CD 3.49Å; P246-P248 WeakPolarHBondContact O-CD 3.48Å; P246-F319 HydrophobicContact CB-CD1 4.43Å; P246-F319 HydrophobicContact CB-CE1 3.94Å; P246-F319 HydrophobicContact CB-CE2 4.16Å; P246-F319 HydrophobicContact CB-CZ 3.8Å; P246-F319 HydrophobicContact CG-CD1 3.92Å; P246-F319 HydrophobicContact CG-CD2 4.44Å; P246-F319 HydrophobicContact CG-CE1 3.91Å; P246-F319 HydrophobicContact CG-CE2 4.43Å; P246-F319 HydrophobicContact CG-CG 4.19Å; P246-F319 HydrophobicContact CG-CZ 4.18Å; P246-F319 WeakPolarHBondContact O-CE2 3.27Å |
| 247 | Q | 77.7 | Confident | 72.9 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | trans | -107.1 | 83.4 | -178.9 | -61.1 | -174.8 | 9.2 | 0 | 0 | 110.9 | V250 T289 I308 | Q247-V250 HydrophobicContact CB-CG2 3.84Å; Q247-T289 PolarHBondContact NE2-OG1 2.97Å; Q247-I308 HydrophobicContact CG-CD1 4.28Å | ||
| 248 | P | 67.6 | Low | 72 | Confident | 9 Ų | 9 | 86 Ų | 86 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 143.2 | 173.4 | 21.6 | -29.1 | 0 | 0 | 0 | 111.4 | I223 L226 P246 V250 W310 Y317 F319 | I223-P248 HydrophobicContact CD1-CB 3.79Å; L226-P248 HydrophobicContact CD1-CB 4.25Å; P246-P248 WeakPolarHBondContact O-CD 3.48Å; P248-V250 PolarHBondContact O-N 2.95Å; P248-W310 HydrophobicContact CG-CH2 4.15Å; P248-Y317 HydrophobicContact CG-CD1 4.2Å; P248-Y317 HydrophobicContact CG-CD2 3.58Å; P248-Y317 HydrophobicContact CG-CE1 4.42Å; P248-Y317 HydrophobicContact CG-CE2 3.88Å; P248-Y317 HydrophobicContact CG-CG 3.77Å; P248-F319 HydrophobicContact CG-CZ 4.38Å |
| 249 | G | 59.7 | Low | 71.5 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 73% | 0.732 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -0.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q251 | G249-Q251 PolarHBondContact O-N 2.88Š|
| 250 | V | 53.8 | Low | 71.1 | Confident | 79 Ų | 79 | 82 Ų | 82 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | trans | -75.1 | 71.9 | 179.1 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | Q247 P248 | Q247-V250 HydrophobicContact CB-CG2 3.84Å; P248-V250 PolarHBondContact O-N 2.95Å | ||
| 251 | Q | 48.5 | Very low | 70.8 | Confident | 164 Ų | 164 | 79.6 Ų | 79.6 | 77% | 0.766 | 45% | 0.449 | S | S | * | . | trans | -65.1 | 141.8 | 156.5 | -63 | -163.5 | 11.4 | 0 | 0 | 108.8 | G249 S253 | G249-Q251 PolarHBondContact O-N 2.88Å; Q251-S253 PolarHBondContact O-N 3.21Å; Q251-S253 PolarHBondContact O-OG 3.38Å | ||
| 252 | K | 44.6 | Very low | 70.6 | Confident | 213 Ų | 213 | 82.3 Ų | 82.3 | 93% | 0.926 | 47% | 0.465 | S | S | * | . | trans | -79.8 | 46.2 | -170.5 | -63.4 | -177.8 | 178 | 179.3 | 0 | 113.8 | ||||
| 253 | S | 45.8 | Very low | 70.6 | Confident | 94 Ų | 94 | 78 Ų | 78 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | trans | -70.9 | 129.3 | 162 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | Q251 D255 | Q251-S253 PolarHBondContact O-N 3.21Å; Q251-S253 PolarHBondContact O-OG 3.38Å; S253-D255 VanDerWaalsContact C-N 3.3Å; S253-D255 PolarHBondContact O-N 3.27Å | ||
| 254 | A | 53.3 | Low | 70.5 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 78% | 0.777 | 45% | 0.445 | S | S | * | . | trans | -81 | 2.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 255 | D | 52.7 | Low | 70.6 | Confident | 154 Ų | 154 | 72 Ų | 72 | 82% | 0.824 | 42% | 0.417 | S | S | * | . | trans | -84.3 | 126.9 | -178 | -70 | -52.1 | 0 | 0 | 0 | 111.8 | S253 I257 | S253-D255 VanDerWaalsContact C-N 3.3Å; S253-D255 PolarHBondContact O-N 3.27Å; D255-I257 PolarHBondContact O-N 3.35Å | ||
| 256 | T | 57.9 | Low | 70.5 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 83% | 0.828 | 42% | 0.417 | S | S | * | . | trans | -92.3 | 99.9 | -155.3 | 55 | 0 | 0 | 0 | 0 | 114 | ||||
| 257 | I | 65.7 | Low | 70.5 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 54% | 0.538 | 43% | 0.434 | S | S | . | . | trans | -118.3 | 104 | 160.7 | -60 | 179.7 | 0 | 0 | 0 | 108.5 | D255 W310 P311 | D255-I257 PolarHBondContact O-N 3.35Å; I257-W310 HydrophobicContact CG2-CB 4.45Å; I257-P311 HydrophobicContact CG2-CB 4.29Å; I257-P311 HydrophobicContact CG2-CG 4.23Å | ||
| 258 | T | 69.2 | Low | 70.8 | Confident | 81 Ų | 81 | 76 Ų | 76 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 126.9 | 173.9 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | P311 | T258-P311 WeakPolarHBondContact O-CD 3.47Š|
| 259 | P | 77 | Confident | 71.5 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 143.5 | 175.3 | 29.3 | -33.9 | 0 | 0 | 0 | 110.9 | I308 S309 W310 | P259-I308 HydrophobicContact CB-CD1 3.83Å; P259-I308 HydrophobicContact CB-CG1 3.7Å; P259-I308 HydrophobicContact CG-CD1 4Å; P259-I308 HydrophobicContact CG-CG1 4.38Å; P259-S309 CarbonylContact C-O 3.18Å; P259-S309 WeakPolarHBondContact CA-O 3.4Å; P259-W310 HydrophobicContact CB-CD2 4.43Å; P259-W310 HydrophobicContact CB-CG 4.49Å; P259-W310 HydrophobicContact CB-CZ2 4.42Å |
| 260 | I | 83.3 | Confident | 72.5 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 116.3 | 170 | -59.2 | 172.7 | 0 | 0 | 0 | 107.2 | V262 I308 S309 P311 | I260-V262 HydrophobicContact CG2-CG2 4.08Å; I260-I308 WeakPolarHBondContact O-CA 3.43Å; I260-S309 PolarHBondContact N-O 2.92Å; I260-S309 PolarHBondContact O-N 2.85Å; I260-P311 HydrophobicContact CD1-CG 4.07Å; I260-P311 HydrophobicContact CG1-CG 4.14Å |
| 261 | T | 87.6 | Confident | 73.9 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.1 | 172.8 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | C245 C306 E307 | C245-T261 HydrophobicContact CB-CG2 3.98Å; T261-C306 HydrophobicContact CG2-CB 4.04Å; T261-E307 CarbonylContact C-O 3.58Å; T261-E307 WeakPolarHBondContact CA-O 3.42Å |
| 262 | V | 89.5 | Confident | 75.4 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.8 | 179 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | I260 C306 E307 | I260-V262 HydrophobicContact CG2-CG2 4.08Å; V262-C306 WeakPolarHBondContact O-CA 3.3Å; V262-E307 HydrophobicContact CB-CB 4.48Å; V262-E307 PolarHBondContact N-O 3.07Å; V262-E307 PolarHBondContact O-N 3.33Å |
| 263 | W | 93.4 | Very high | 77.2 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.5 | 178.4 | -70.3 | 92.1 | 0 | 0 | 0 | 112.7 | L243 C245 V276 F284 D288 L291 T305 C306 F321 | L243-W263 HydrophobicContact CB-CH2 3.6Å; L243-W263 HydrophobicContact CB-CZ3 3.9Å; L243-W263 HydrophobicContact CD1-CZ3 4.09Å; L243-W263 WeakPolarHBondContact O-CH2 3.48Å; L243-W263 WeakPolarHBondContact O-CZ2 3.47Å; C245-W263 HydrophobicContact CB-CH2 4.16Å; C245-W263 HydrophobicContact CB-CZ2 3.73Å; W263-V276 HydrophobicContact CB-CB 4.37Å; W263-V276 HydrophobicContact CB-CG2 3.88Å; W263-F284 HydrophobicContact CB-CE1 3.95Å; W263-F284 AromaticContact CD1-CD1 3.89Å; W263-F284 AromaticContact CD1-CE1 3.6Å; W263-F284 AromaticContact CG-CE1 3.9Å; W263-F284 HydrophobicContact CG-CE1 3.9Å; W263-D288 PolarHBondContact NE1-O 3.35Å; W263-L291 HydrophobicContact CB-CD2 4.5Å; W263-L291 HydrophobicContact CD2-CB 3.66Å; W263-L291 HydrophobicContact CD2-CD2 3.88Å; W263-L291 HydrophobicContact CD2-CG 4.39Å; W263-L291 HydrophobicContact CE3-CB 3.86Å; W263-L291 HydrophobicContact CE3-CD2 3.53Å; W263-L291 HydrophobicContact CE3-CG 4.34Å; W263-L291 HydrophobicContact CG-CB 4.28Å; W263-L291 HydrophobicContact CG-CD2 4.32Å; W263-L291 HydrophobicContact CH2-CB 3.89Å; W263-L291 HydrophobicContact CZ2-CB 3.67Å; W263-L291 HydrophobicContact CZ3-CB 3.97Å; W263-L291 HydrophobicContact CZ3-CD2 4.02Å; W263-T305 CarbonylContact C-O 3.58Å; W263-T305 VanDerWaalsContact CA-O 3.32Å; W263-T305 WeakPolarHBondContact CA-O 3.41Å; W263-C306 HydrophobicContact CD2-CB 3.84Å; W263-C306 HydrophobicContact CE3-CB 3.78Å; W263-C306 HydrophobicContact CH2-CB 3.94Å; W263-C306 HydrophobicContact CZ2-CB 4Å; W263-C306 HydrophobicContact CZ3-CB 3.83Å; W263-F321 HydrophobicContact CH2-CD2 4.36Å; W263-F321 AromaticContact CH2-CE2 3.78Å; W263-F321 HydrophobicContact CH2-CE2 3.78Å; W263-F321 HydrophobicContact CH2-CZ 4.37Å; W263-F321 AromaticContact CZ3-CD2 3.94Å; W263-F321 HydrophobicContact CZ3-CD2 3.94Å; W263-F321 AromaticContact CZ3-CE2 3.78Å; W263-F321 HydrophobicContact CZ3-CE2 3.78Å |
| 264 | G | 91.3 | Very high | 79.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 167.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q274 V276 Y304 T305 | G264-Q274 CarbonylContact C-O 3.57Å; G264-Q274 WeakPolarHBondContact CA-O 3.42Å; G264-V276 VanDerWaalsContact C-CG2 3.42Å; G264-V276 WeakPolarHBondContact O-CG2 3.24Å; G264-Y304 CarbonylContact O-C 3.22Å; G264-Y304 WeakPolarHBondContact O-CA 3.3Å; G264-T305 WeakPolarHBondContact CA-OG1 3.27Å; G264-T305 PolarHBondContact N-O 3.36Å; G264-T305 PolarHBondContact O-N 2.74Å; G264-T305 PolarHBondContact O-OG1 2.95Å |
| 265 | L | 91.8 | Very high | 81 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.8 | 168.5 | 80 | 105.1 | 0 | 0 | 0 | 110.4 | P267 Q273 Q274 V276 T278 L279 S302 F303 Y304 | L265-P267 HydrophobicContact CD1-CG 4.11Å; L265-Q273 CarbonylContact O-C 3.59Å; L265-Q273 WeakPolarHBondContact O-CA 3.3Å; L265-Q274 HydrophobicContact CD2-CB 4.46Å; L265-Q274 HydrophobicContact CG-CB 4.21Å; L265-Q274 PolarHBondContact N-O 2.83Å; L265-Q274 PolarHBondContact O-N 2.97Å; L265-V276 HydrophobicContact CB-CG2 4.29Å; L265-V276 HydrophobicContact CD2-CG2 4.49Å; L265-T278 WeakPolarHBondContact CD2-OG1 3.38Å; L265-L279 HydrophobicContact CD2-CD1 3.83Å; L265-L279 HydrophobicContact CD2-CG 3.95Å; L265-S302 WeakPolarHBondContact CD1-OG 3.42Å; L265-F303 CarbonylContact C-O 3.54Å; L265-F303 VanDerWaalsContact CA-O 3.31Å; L265-F303 WeakPolarHBondContact CA-O 3.23Å; L265-Y304 HydrophobicContact CB-CD1 4.16Å; L265-Y304 HydrophobicContact CB-CE1 4.2Å |
| 266 | M | 86.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 119.8 | 165.6 | 61.8 | -171.8 | 68.2 | 0 | 0 | 108.3 | R268 L269 S302 F303 T305 | M266-R268 PolarHBondContact O-N 3.36Å; M266-R268 VanDerWaalsContact O-N 3.1Å; M266-L269 HydrophobicContact SD-CD2 4.31Å; M266-S302 PolarHBondContact O-OG 2.73Å; M266-S302 VanDerWaalsContact O-OG 3.12Å; M266-F303 HydrophobicContact CG-CB 3.69Å; M266-F303 PolarHBondContact N-O 3.33Å; M266-F303 PolarHBondContact O-N 3.34Å; M266-F303 VanDerWaalsContact O-N 3.09Å; M266-T305 HydrophobicContact CE-CG2 3.79Å |
| 267 | P | 84 | Confident | 84 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -59.7 | -26.2 | -177.9 | -23.9 | 34.4 | 0 | 0 | 0 | 112.6 | L265 | L265-P267 HydrophobicContact CD1-CG 4.11Š|
| 268 | R | 83.6 | Confident | 84.9 | Confident | 114 Ų | 114 | 56.1 Ų | 56.1 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -144.1 | 144.9 | 171 | -48.1 | -175.1 | -173.8 | 126.7 | -11 | 111 | M266 G270 E271 | M266-R268 PolarHBondContact O-N 3.36Å; M266-R268 VanDerWaalsContact O-N 3.1Å; R268-G270 PolarHBondContact O-N 2.8Å; R268-E271 HydrophobicContact CB-CG 4.12Å; R268-E271 VanDerWaalsContact CD-OE1 3.24Å; R268-E271 WeakPolarHBondContact CD-OE1 3.4Å; R268-E271 WeakPolarHBondContact CG-OE1 3.45Å; R268-E271 IonicContact CZ-OE1 2.68Å; R268-E271 PolarHBondContact N-OE2 3.31Å; R268-E271 IonicContact NE-OE1 3.66Å; R268-E271 IonicContact NH1-OE1 3.68Å; R268-E271 PolarHBondContact NH1-OE1 2.97Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 2.93Å |
| 269 | L | 82.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 126.7 | 166.7 | -56.5 | 173.8 | 0 | 0 | 0 | 110.5 | F162 H194 R196 D205 M266 F303 L320 | F162-L269 HydrophobicContact CD1-CB 3.79Å; F162-L269 HydrophobicContact CD2-CB 4.23Å; F162-L269 HydrophobicContact CD2-CD1 4.19Å; F162-L269 VanDerWaalsContact CE1-C 3.47Å; F162-L269 HydrophobicContact CE1-CB 3.86Å; F162-L269 WeakPolarHBondContact CE1-O 3.48Å; F162-L269 HydrophobicContact CE2-CB 4.3Å; F162-L269 HydrophobicContact CG-CB 4Å; F162-L269 HydrophobicContact CG-CD1 4.48Å; F162-L269 HydrophobicContact CZ-CB 4.14Å; H194-L269 HydrophobicContact CB-CD1 4.21Å; R196-L269 PolarHBondContact NH1-O 2.75Å; D205-L269 HydrophobicContact CB-CD1 4.44Å; M266-L269 HydrophobicContact SD-CD2 4.31Å; L269-F303 HydrophobicContact CD1-CE1 4.01Å; L269-F303 HydrophobicContact CD1-CZ 4.08Å; L269-F303 HydrophobicContact CD2-CD1 3.6Å; L269-F303 HydrophobicContact CD2-CD2 4.36Å; L269-F303 HydrophobicContact CD2-CE1 3.76Å; L269-F303 HydrophobicContact CD2-CG 3.92Å; L269-F303 HydrophobicContact CD2-CZ 4.24Å; L269-F303 HydrophobicContact CG-CD1 4.04Å; L269-F303 HydrophobicContact CG-CD2 4.28Å; L269-F303 HydrophobicContact CG-CE1 3.74Å; L269-F303 HydrophobicContact CG-CE2 4.02Å; L269-F303 HydrophobicContact CG-CG 4.31Å; L269-F303 HydrophobicContact CG-CZ 3.74Å; L269-L320 HydrophobicContact CD2-CD2 3.87Å |
| 270 | G | 80.2 | Confident | 86.2 | Confident | 36 Ų | 36 | 63 Ų | 63 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -11.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | G165 R268 | G165-G270 PolarHBondContact O-N 2.86Å; R268-G270 PolarHBondContact O-N 2.8Å |
| 271 | E | 83.4 | Confident | 86.5 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -84.6 | 159.3 | 174.1 | -66.5 | 177.3 | 179.3 | 0 | 0 | 111.4 | R268 Q273 | R268-E271 HydrophobicContact CB-CG 4.12Å; R268-E271 VanDerWaalsContact CD-OE1 3.24Å; R268-E271 WeakPolarHBondContact CD-OE1 3.4Å; R268-E271 WeakPolarHBondContact CG-OE1 3.45Å; R268-E271 IonicContact CZ-OE1 2.68Å; R268-E271 PolarHBondContact N-OE2 3.31Å; R268-E271 IonicContact NE-OE1 3.66Å; R268-E271 IonicContact NH1-OE1 3.68Å; R268-E271 PolarHBondContact NH1-OE1 2.97Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 2.93Å; E271-Q273 PolarHBondContact O-N 2.83Å |
| 272 | Q | 79.9 | Confident | 86.7 | Confident | 170 Ų | 170 | 63.3 Ų | 63.3 | 79% | 0.794 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 127 | -179.8 | -179.4 | 177.4 | -13.8 | 0 | 0 | 111 | Q274 | Q272-Q274 PolarHBondContact O-N 3.15Š|
| 273 | Q | 83.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 132.3 | 175 | -178 | 178.7 | -21.8 | 0 | 0 | 111.7 | L265 E271 T305 | L265-Q273 CarbonylContact O-C 3.59Å; L265-Q273 WeakPolarHBondContact O-CA 3.3Å; E271-Q273 PolarHBondContact O-N 2.83Å; Q273-T305 PolarHBondContact NE2-OG1 3.03Å; Q273-T305 VanDerWaalsContact NE2-OG1 3.15Å |
| 274 | Q | 88.8 | Confident | 86.6 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.6 | 178.4 | -56.9 | -179.1 | 23.8 | 0 | 0 | 110 | G264 L265 Q272 | G264-Q274 CarbonylContact C-O 3.57Å; G264-Q274 WeakPolarHBondContact CA-O 3.42Å; L265-Q274 HydrophobicContact CD2-CB 4.46Å; L265-Q274 HydrophobicContact CG-CB 4.21Å; L265-Q274 PolarHBondContact N-O 2.83Å; L265-Q274 PolarHBondContact O-N 2.97Å; Q272-Q274 PolarHBondContact O-N 3.15Å |
| 275 | P | 88.7 | Confident | 86.4 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.1 | 176.6 | 29.4 | -33.6 | 0 | 0 | 0 | 110.9 | S277 T278 | P275-S277 PolarHBondContact O-N 2.89Å; P275-S277 VanDerWaalsContact O-N 3.12Å; P275-T278 HydrophobicContact CG-CG2 4.25Å; P275-T278 WeakPolarHBondContact O-CG2 3.45Å; P275-T278 PolarHBondContact O-N 2.89Å; P275-T278 VanDerWaalsContact O-N 3.13Å; P275-T278 PolarHBondContact O-OG1 3.34Å |
| 276 | V | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.012 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -62.5 | -21 | -176.9 | 176 | 0 | 0 | 0 | 0 | 113.3 | W263 G264 L265 T278 L279 I282 F284 L291 Y304 | W263-V276 HydrophobicContact CB-CB 4.37Å; W263-V276 HydrophobicContact CB-CG2 3.88Å; G264-V276 VanDerWaalsContact C-CG2 3.42Å; G264-V276 WeakPolarHBondContact O-CG2 3.24Å; L265-V276 HydrophobicContact CB-CG2 4.29Å; L265-V276 HydrophobicContact CD2-CG2 4.49Å; V276-T278 PolarHBondContact O-N 2.86Å; V276-L279 PolarHBondContact O-N 3.06Å; V276-L279 VanDerWaalsContact O-N 3.08Å; V276-I282 HydrophobicContact CG1-CD1 3.71Å; V276-I282 HydrophobicContact CG1-CG1 4.38Å; V276-I282 HydrophobicContact CG1-CG2 4.04Å; V276-F284 HydrophobicContact CB-CZ 4.46Å; V276-F284 HydrophobicContact CG1-CZ 4.43Å; V276-L291 HydrophobicContact CG1-CD1 3.89Å; V276-L291 HydrophobicContact CG1-CD2 3.93Å; V276-L291 HydrophobicContact CG2-CD2 4.32Å; V276-Y304 HydrophobicContact CG1-CE1 4.4Å; V276-Y304 HydrophobicContact CG2-CD1 4.09Å; V276-Y304 HydrophobicContact CG2-CE1 4.39Å |
| 277 | S | 83.5 | Confident | 85.6 | Confident | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -63.2 | -4 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 115.6 | P275 | P275-S277 PolarHBondContact O-N 2.89Å; P275-S277 VanDerWaalsContact O-N 3.12Å |
| 278 | T | 84 | Confident | 85.6 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -77 | -22.6 | 170.1 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | L265 P275 V276 | L265-T278 WeakPolarHBondContact CD2-OG1 3.38Å; P275-T278 HydrophobicContact CG-CG2 4.25Å; P275-T278 WeakPolarHBondContact O-CG2 3.45Å; P275-T278 PolarHBondContact O-N 2.89Å; P275-T278 VanDerWaalsContact O-N 3.13Å; P275-T278 PolarHBondContact O-OG1 3.34Å; V276-T278 PolarHBondContact O-N 2.86Å |
| 279 | L | 86.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 23% | 0.225 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -91.3 | 166.1 | 179.4 | -68.1 | 176.3 | 0 | 0 | 0 | 111.9 | L265 V276 I282 H299 Y304 | L265-L279 HydrophobicContact CD2-CD1 3.83Å; L265-L279 HydrophobicContact CD2-CG 3.95Å; V276-L279 PolarHBondContact O-N 3.06Å; V276-L279 VanDerWaalsContact O-N 3.08Å; L279-I282 HydrophobicContact CB-CD1 3.39Å; L279-I282 HydrophobicContact CD1-CD1 4.01Å; L279-I282 HydrophobicContact CG-CD1 4.35Å; L279-H299 WeakPolarHBondContact CD2-O 3.38Å; L279-Y304 HydrophobicContact CD1-CE1 4.05Å; L279-Y304 VanDerWaalsContact CD1-OH 3.26Å; L279-Y304 WeakPolarHBondContact CD1-OH 3.35Å |
| 280 | R | 88.7 | Confident | 86.3 | Confident | 202 Ų | 202 | 79.4 Ų | 79.4 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -101.2 | 174.4 | 179.4 | -61.9 | -172.4 | -176.2 | -164.6 | 1.6 | 111.1 | I282 H300 | R280-I282 PolarHBondContact O-N 2.96Å; R280-H300 PolarHBondContact O-NE2 3.1Å |
| 281 | D | 89.4 | Confident | 86.9 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 56.1 | 10.4 | 174.3 | -56.6 | -9 | 0 | 0 | 0 | 116.1 | N294 N295 | D281-N294 HydrophobicContact CB-CB 4.37Å; D281-N294 WeakPolarHBondContact CB-O 3.2Å; D281-N294 VanDerWaalsContact O-CB 3.28Å; D281-N294 WeakPolarHBondContact O-CB 3.35Å; D281-N294 PolarHBondContact O-N 2.87Å; D281-N294 PolarHBondContact O-ND2 2.87Å; D281-N294 VanDerWaalsContact O-ND2 3.16Å; D281-N295 PolarHBondContact OD2-ND2 3.07Å; D281-N295 VanDerWaalsContact OD2-ND2 3.12Å |
| 282 | I | 91.3 | Very high | 87.4 | Confident | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 143.3 | -179.7 | -83.9 | 146.2 | 0 | 0 | 0 | 112.7 | V276 L279 R280 F284 L291 V292 I293 | V276-I282 HydrophobicContact CG1-CD1 3.71Å; V276-I282 HydrophobicContact CG1-CG1 4.38Å; V276-I282 HydrophobicContact CG1-CG2 4.04Å; L279-I282 HydrophobicContact CB-CD1 3.39Å; L279-I282 HydrophobicContact CD1-CD1 4.01Å; L279-I282 HydrophobicContact CG-CD1 4.35Å; R280-I282 PolarHBondContact O-N 2.96Å; I282-F284 HydrophobicContact CG2-CE2 4.39Å; I282-F284 HydrophobicContact CG2-CZ 4.37Å; I282-L291 HydrophobicContact CB-CD1 4.46Å; I282-L291 HydrophobicContact CG1-CD1 4.19Å; I282-L291 HydrophobicContact CG2-CD1 3.53Å; I282-V292 CarbonylContact C-O 3.56Å; I282-V292 WeakPolarHBondContact CA-O 3.24Å; I282-I293 HydrophobicContact CD1-CG1 4.31Å; I282-I293 HydrophobicContact CG1-CB 4.22Å; I282-I293 HydrophobicContact CG1-CG1 3.82Å; I282-I293 HydrophobicContact CG1-CG2 4.2Å |
| 283 | Q | 90.3 | Very high | 88.1 | Confident | 119 Ų | 119 | 67 Ų | 67 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.2 | 173.3 | -66.6 | 169.4 | -6.3 | 0 | 0 | 109.1 | V292 N294 | Q283-V292 HydrophobicContact CB-CB 4.42Å; Q283-V292 PolarHBondContact N-O 3.24Å; Q283-V292 PolarHBondContact O-N 2.96Å; Q283-N294 VanDerWaalsContact CD-ND2 3.32Å; Q283-N294 PolarHBondContact OE1-ND2 2.91Å |
| 284 | F | 90.9 | Very high | 88.5 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 142.4 | 169 | -61.9 | -76.6 | 0 | 0 | 0 | 109.3 | W263 V276 I282 D288 L291 | W263-F284 HydrophobicContact CB-CE1 3.95Å; W263-F284 AromaticContact CD1-CD1 3.89Å; W263-F284 AromaticContact CD1-CE1 3.6Å; W263-F284 AromaticContact CG-CE1 3.9Å; W263-F284 HydrophobicContact CG-CE1 3.9Å; V276-F284 HydrophobicContact CB-CZ 4.46Å; V276-F284 HydrophobicContact CG1-CZ 4.43Å; I282-F284 HydrophobicContact CG2-CE2 4.39Å; I282-F284 HydrophobicContact CG2-CZ 4.37Å; F284-D288 VanDerWaalsContact CB-OD1 3.25Å; F284-D288 WeakPolarHBondContact CB-OD1 3.42Å; F284-L291 HydrophobicContact CD1-CD1 4.2Å; F284-L291 HydrophobicContact CE1-CD1 3.83Å; F284-L291 HydrophobicContact CZ-CD1 4.42Å |
| 285 | A | 86.4 | Confident | 88.6 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q287 D288 T289 K290 V292 | A285-Q287 PolarHBondContact O-N 2.92Å; A285-D288 PolarHBondContact O-N 2.9Å; A285-D288 VanDerWaalsContact O-N 3.16Å; A285-T289 PolarHBondContact O-N 3.43Å; A285-K290 HydrophobicContact CB-CB 4.11Å; A285-K290 HydrophobicContact CB-CD 4.2Å; A285-K290 HydrophobicContact CB-CG 4.35Å; A285-K290 PolarHBondContact N-O 2.89Å; A285-K290 PolarHBondContact O-N 3.07Å; A285-K290 VanDerWaalsContact O-N 3.13Å; A285-V292 HydrophobicContact CB-CG2 4.18Å |
| 286 | D | 83.4 | Confident | 88.8 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 57 | 172.1 | -55.8 | -40.9 | 0 | 0 | 0 | 113.6 | D288 T289 K290 | D286-D288 PolarHBondContact O-N 2.94Å; D286-T289 WeakPolarHBondContact O-CB 3.26Å; D286-T289 WeakPolarHBondContact O-CG2 3.44Å; D286-T289 PolarHBondContact O-N 3.09Å; D286-T289 VanDerWaalsContact O-N 3.13Å; D286-T289 PolarHBondContact O-OG1 3.43Å; D286-K290 HydrophobicContact CB-CB 4.16Å; D286-K290 WeakPolarHBondContact OD2-CD 3.27Å |
| 287 | Q | 79.6 | Confident | 88.7 | Confident | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 45.4 | -178.1 | -57.1 | -178.1 | -7.7 | 0 | 0 | 113.3 | A285 T289 | A285-Q287 PolarHBondContact O-N 2.92Å; Q287-T289 PolarHBondContact O-N 3.38Å |
| 288 | D | 84.1 | Confident | 88.8 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 3.4 | -175.1 | -53.4 | -34.2 | 0 | 0 | 0 | 115 | W263 F284 A285 D286 K290 | W263-D288 PolarHBondContact NE1-O 3.35Å; F284-D288 VanDerWaalsContact CB-OD1 3.25Å; F284-D288 WeakPolarHBondContact CB-OD1 3.42Å; A285-D288 PolarHBondContact O-N 2.9Å; A285-D288 VanDerWaalsContact O-N 3.16Å; D286-D288 PolarHBondContact O-N 2.94Å; D288-K290 PolarHBondContact O-N 3.43Å |
| 289 | T | 87.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.6 | 175.6 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | C245 Q247 A285 D286 Q287 | C245-T289 WeakPolarHBondContact CB-O 3.11Å; C245-T289 PolarHBondContact N-O 2.76Å; Q247-T289 PolarHBondContact NE2-OG1 2.97Å; A285-T289 PolarHBondContact O-N 3.43Å; D286-T289 WeakPolarHBondContact O-CB 3.26Å; D286-T289 WeakPolarHBondContact O-CG2 3.44Å; D286-T289 PolarHBondContact O-N 3.09Å; D286-T289 VanDerWaalsContact O-N 3.13Å; D286-T289 PolarHBondContact O-OG1 3.43Å; Q287-T289 PolarHBondContact O-N 3.38Å |
| 290 | K | 91.1 | Very high | 89.1 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.6 | 179.9 | -172.8 | 178.7 | -178 | -175.2 | 0 | 111.7 | E242 L243 A285 D286 D288 V292 | E242-K290 VanDerWaalsContact OE1-CE 3.23Å; E242-K290 WeakPolarHBondContact OE1-CE 3.39Å; E242-K290 IonicContact OE1-NZ 2.66Å; E242-K290 PolarHBondContact OE1-NZ 3.12Å; E242-K290 WeakPolarHBondContact OE2-CE 3.41Å; E242-K290 IonicContact OE2-NZ 2.83Å; E242-K290 PolarHBondContact OE2-NZ 2.79Å; L243-K290 CarbonylContact O-C 3.6Å; L243-K290 WeakPolarHBondContact O-CA 3.37Å; A285-K290 HydrophobicContact CB-CB 4.11Å; A285-K290 HydrophobicContact CB-CD 4.2Å; A285-K290 HydrophobicContact CB-CG 4.35Å; A285-K290 PolarHBondContact N-O 2.89Å; A285-K290 PolarHBondContact O-N 3.07Å; A285-K290 VanDerWaalsContact O-N 3.13Å; D286-K290 HydrophobicContact CB-CB 4.16Å; D286-K290 WeakPolarHBondContact OD2-CD 3.27Å; D288-K290 PolarHBondContact O-N 3.43Å; K290-V292 HydrophobicContact CG-CG2 4.37Å |
| 291 | L | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.9 | 175.1 | 170 | 58.6 | 0 | 0 | 0 | 109.9 | L243 W263 V276 I282 F284 I293 Y304 | L243-L291 HydrophobicContact CB-CB 4.39Å; L243-L291 HydrophobicContact CD1-CD2 4.2Å; L243-L291 PolarHBondContact N-O 3.15Å; L243-L291 PolarHBondContact O-N 3.45Å; W263-L291 HydrophobicContact CB-CD2 4.5Å; W263-L291 HydrophobicContact CD2-CB 3.66Å; W263-L291 HydrophobicContact CD2-CD2 3.88Å; W263-L291 HydrophobicContact CD2-CG 4.39Å; W263-L291 HydrophobicContact CE3-CB 3.86Å; W263-L291 HydrophobicContact CE3-CD2 3.53Å; W263-L291 HydrophobicContact CE3-CG 4.34Å; W263-L291 HydrophobicContact CG-CB 4.28Å; W263-L291 HydrophobicContact CG-CD2 4.32Å; W263-L291 HydrophobicContact CH2-CB 3.89Å; W263-L291 HydrophobicContact CZ2-CB 3.67Å; W263-L291 HydrophobicContact CZ3-CB 3.97Å; W263-L291 HydrophobicContact CZ3-CD2 4.02Å; V276-L291 HydrophobicContact CG1-CD1 3.89Å; V276-L291 HydrophobicContact CG1-CD2 3.93Å; V276-L291 HydrophobicContact CG2-CD2 4.32Å; I282-L291 HydrophobicContact CB-CD1 4.46Å; I282-L291 HydrophobicContact CG1-CD1 4.19Å; I282-L291 HydrophobicContact CG2-CD1 3.53Å; F284-L291 HydrophobicContact CD1-CD1 4.2Å; F284-L291 HydrophobicContact CE1-CD1 3.83Å; F284-L291 HydrophobicContact CZ-CD1 4.42Å; L291-I293 HydrophobicContact CG-CG1 4.46Å; L291-Y304 HydrophobicContact CD2-CD1 3.66Å; L291-Y304 HydrophobicContact CD2-CE1 4.13Å; L291-Y304 HydrophobicContact CD2-CG 4.43Å |
| 292 | V | 93.8 | Very high | 89.2 | Confident | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.3 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 109 | V241 E242 I282 Q283 A285 K290 | V241-V292 WeakPolarHBondContact O-CA 3.32Å; E242-V292 HydrophobicContact CG-CG1 4.36Å; E242-V292 HydrophobicContact CG-CG2 4.17Å; I282-V292 CarbonylContact C-O 3.56Å; I282-V292 WeakPolarHBondContact CA-O 3.24Å; Q283-V292 HydrophobicContact CB-CB 4.42Å; Q283-V292 PolarHBondContact N-O 3.24Å; Q283-V292 PolarHBondContact O-N 2.96Å; A285-V292 HydrophobicContact CB-CG2 4.18Å; K290-V292 HydrophobicContact CG-CG2 4.37Å |
| 293 | I | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.3 | 170.9 | -51.7 | 165.2 | 0 | 0 | 0 | 106.7 | S240 V241 I282 L291 F296 H300 Y304 | S240-I293 CarbonylContact C-O 3.59Å; S240-I293 WeakPolarHBondContact CA-O 3.46Å; V241-I293 HydrophobicContact CG1-CB 3.78Å; V241-I293 HydrophobicContact CG1-CD1 3.94Å; V241-I293 HydrophobicContact CG1-CG1 4.23Å; V241-I293 PolarHBondContact N-O 2.56Å; V241-I293 PolarHBondContact O-N 2.79Å; I282-I293 HydrophobicContact CD1-CG1 4.31Å; I282-I293 HydrophobicContact CG1-CB 4.22Å; I282-I293 HydrophobicContact CG1-CG1 3.82Å; I282-I293 HydrophobicContact CG1-CG2 4.2Å; L291-I293 HydrophobicContact CG-CG1 4.46Å; I293-F296 HydrophobicContact CB-CD2 4.49Å; I293-F296 HydrophobicContact CD1-CD2 4.36Å; I293-F296 HydrophobicContact CD1-CE2 4.3Å; I293-F296 HydrophobicContact CG2-CD2 4.04Å; I293-H300 HydrophobicContact CG2-CB 4.04Å; I293-Y304 HydrophobicContact CD1-CE1 3.99Å; I293-Y304 HydrophobicContact CD1-CE2 3.9Å; I293-Y304 WeakPolarHBondContact CD1-OH 3.17Å |
| 294 | N | 92.1 | Very high | 89.2 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | trans | -81.7 | 156.2 | 173.4 | -63.2 | -77.8 | 0 | 0 | 0 | 110.8 | S240 D281 Q283 F296 | S240-N294 WeakPolarHBondContact OG-CA 3.49Å; S240-N294 PolarHBondContact OG-OD1 3.23Å; D281-N294 HydrophobicContact CB-CB 4.37Å; D281-N294 WeakPolarHBondContact CB-O 3.2Å; D281-N294 VanDerWaalsContact O-CB 3.28Å; D281-N294 WeakPolarHBondContact O-CB 3.35Å; D281-N294 PolarHBondContact O-N 2.87Å; D281-N294 PolarHBondContact O-ND2 2.87Å; D281-N294 VanDerWaalsContact O-ND2 3.16Å; Q283-N294 VanDerWaalsContact CD-ND2 3.32Å; Q283-N294 PolarHBondContact OE1-ND2 2.91Å; N294-F296 VanDerWaalsContact C-N 3.34Å; N294-F296 PolarHBondContact O-N 3.42Å | ||
| 295 | N | 90.8 | Very high | 89.2 | Confident | 88 Ų | 88 | 43 Ų | 43 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 51.1 | 50.3 | 170.4 | -177.5 | 51.1 | 0 | 0 | 0 | 113.1 | D281 D297 | D281-N295 PolarHBondContact OD2-ND2 3.07Å; D281-N295 VanDerWaalsContact OD2-ND2 3.12Å; N295-D297 PolarHBondContact O-N 3.47Å |
| 296 | F | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -56.2 | 137.9 | -172.2 | -170 | -87 | 0 | 0 | 0 | 112.5 | V235 R237 G238 R239 V241 I293 N294 H300 V301 V323 L325 | V235-F296 HydrophobicContact CB-CB 4.27Å; V235-F296 HydrophobicContact CB-CD1 3.67Å; V235-F296 HydrophobicContact CB-CD2 4.27Å; V235-F296 HydrophobicContact CB-CE1 4.04Å; V235-F296 HydrophobicContact CB-CG 3.8Å; V235-F296 HydrophobicContact CB-CZ 4.48Å; V235-F296 HydrophobicContact CG1-CB 3.55Å; V235-F296 HydrophobicContact CG1-CD1 3.92Å; V235-F296 HydrophobicContact CG1-CD2 4.25Å; V235-F296 HydrophobicContact CG1-CG 3.64Å; V235-F296 HydrophobicContact CG2-CD1 4.49Å; V235-F296 HydrophobicContact CG2-CD2 4.37Å; V235-F296 HydrophobicContact CG2-CE2 4.44Å; V235-F296 HydrophobicContact CG2-CG 4.4Å; R237-F296 CarbonylContact C-O 3.58Å; R237-F296 WeakPolarHBondContact CA-O 3.4Å; G238-F296 PolarHBondContact N-O 3.45Å; R239-F296 WeakPolarHBondContact O-CB 2.98Å; R239-F296 PolarHBondContact O-N 3.33Å; V241-F296 HydrophobicContact CG1-CD2 3.71Å; V241-F296 HydrophobicContact CG1-CE2 4.29Å; V241-F296 HydrophobicContact CG1-CG 4.47Å; I293-F296 HydrophobicContact CB-CD2 4.49Å; I293-F296 HydrophobicContact CD1-CD2 4.36Å; I293-F296 HydrophobicContact CD1-CE2 4.3Å; I293-F296 HydrophobicContact CG2-CD2 4.04Å; N294-F296 VanDerWaalsContact C-N 3.34Å; N294-F296 PolarHBondContact O-N 3.42Å; F296-H300 HydrophobicContact CD2-CB 3.6Å; F296-H300 HydrophobicContact CE2-CB 3.48Å; F296-H300 VanDerWaalsContact CE2-CB 3.48Å; F296-H300 VanDerWaalsContact CE2-O 3.3Å; F296-H300 WeakPolarHBondContact CE2-O 3.26Å; F296-H300 HydrophobicContact CG-CB 4.25Å; F296-H300 HydrophobicContact CZ-CB 4.05Å; F296-V301 HydrophobicContact CE1-CG2 3.91Å; F296-V301 HydrophobicContact CZ-CG2 3.93Å; F296-V323 HydrophobicContact CD2-CG1 4.38Å; F296-V323 HydrophobicContact CE2-CB 4.48Å; F296-V323 HydrophobicContact CE2-CG1 3.49Å; F296-V323 VanDerWaalsContact CE2-CG1 3.49Å; F296-V323 HydrophobicContact CZ-CG1 3.83Å; F296-L325 HydrophobicContact CD1-CD1 3.83Å; F296-L325 HydrophobicContact CE1-CB 4.2Å; F296-L325 HydrophobicContact CE1-CD1 3.95Å | ||
| 297 | D | 88.2 | Confident | 89.6 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | trans | -149.4 | 174.9 | -176.5 | -162.8 | 9.3 | 0 | 0 | 0 | 110.1 | R237 N295 H299 H300 | R237-D297 IonicContact CZ-OD1 2.8Å; R237-D297 VanDerWaalsContact CZ-OD1 3.24Å; R237-D297 IonicContact CZ-OD2 3.84Å; R237-D297 IonicContact NE-OD1 3.96Å; R237-D297 PolarHBondContact NE-OD1 2.91Å; R237-D297 IonicContact NE-OD2 2.66Å; R237-D297 VanDerWaalsContact NH2-CG 3.31Å; R237-D297 IonicContact NH2-OD1 3.75Å; R237-D297 PolarHBondContact NH2-OD1 2.77Å; R237-D297 IonicContact NH2-OD2 2.93Å; R237-D297 PolarHBondContact NH2-OD2 3.01Å; N295-D297 PolarHBondContact O-N 3.47Å; D297-H299 PolarHBondContact O-N 2.89Å; D297-H299 VanDerWaalsContact O-N 3.08Å; D297-H300 PolarHBondContact N-ND1 3.4Å; D297-H300 WeakPolarHBondContact O-CA 3.33Å; D297-H300 WeakPolarHBondContact O-CB 3.45Å; D297-H300 PolarHBondContact O-N 3.49Å | ||
| 298 | I | 84.8 | Confident | 89.9 | Confident | 98 Ų | 98 | 32 Ų | 32 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -51.4 | -33.4 | -178.9 | -167.6 | 167.9 | 0 | 0 | 0 | 113.9 | H300 V301 | I298-H300 PolarHBondContact O-N 3.24Å; I298-V301 WeakPolarHBondContact O-CB 3.38Å; I298-V301 PolarHBondContact O-N 3.3Å |
| 299 | H | 86.3 | Confident | 89.8 | Confident | 145 Ų | 145 | 29 Ų | 29 | 67% | 0.671 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -69.8 | -15.9 | 176.7 | -55.9 | 100.3 | 0 | 0 | 0 | 114.1 | L279 D297 | L279-H299 WeakPolarHBondContact CD2-O 3.38Å; D297-H299 PolarHBondContact O-N 2.89Å; D297-H299 VanDerWaalsContact O-N 3.08Å |
| 300 | H | 91 | Very high | 89.5 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -97.8 | -2.4 | 178.3 | -56.1 | 139.4 | 0 | 0 | 0 | 112.4 | R280 I293 F296 D297 I298 S302 Y304 | R280-H300 PolarHBondContact O-NE2 3.1Å; I293-H300 HydrophobicContact CG2-CB 4.04Å; F296-H300 HydrophobicContact CD2-CB 3.6Å; F296-H300 HydrophobicContact CE2-CB 3.48Å; F296-H300 VanDerWaalsContact CE2-CB 3.48Å; F296-H300 VanDerWaalsContact CE2-O 3.3Å; F296-H300 WeakPolarHBondContact CE2-O 3.26Å; F296-H300 HydrophobicContact CG-CB 4.25Å; F296-H300 HydrophobicContact CZ-CB 4.05Å; D297-H300 PolarHBondContact N-ND1 3.4Å; D297-H300 WeakPolarHBondContact O-CA 3.33Å; D297-H300 WeakPolarHBondContact O-CB 3.45Å; D297-H300 PolarHBondContact O-N 3.49Å; I298-H300 PolarHBondContact O-N 3.24Å; H300-S302 PolarHBondContact O-N 2.83Å; H300-Y304 WeakPolarHBondContact O-CE2 3.46Å; H300-Y304 PolarHBondContact O-OH 2.73Å |
| 301 | V | 89.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 33% | 0.327 | 17% | 0.172 | S | C | . | . | trans | -70.1 | 112.2 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | F296 I298 V323 E324 L325 | F296-V301 HydrophobicContact CE1-CG2 3.91Å; F296-V301 HydrophobicContact CZ-CG2 3.93Å; I298-V301 WeakPolarHBondContact O-CB 3.38Å; I298-V301 PolarHBondContact O-N 3.3Å; V301-V323 WeakPolarHBondContact CA-O 3.34Å; V301-E324 HydrophobicContact CG1-CG 4.31Å; V301-L325 HydrophobicContact CG2-CB 3.8Å | ||
| 302 | S | 90.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 164.8 | -173 | -162.6 | 0 | 0 | 0 | 0 | 110.9 | L265 M266 H300 Y304 V323 | L265-S302 WeakPolarHBondContact CD1-OG 3.42Å; M266-S302 PolarHBondContact O-OG 2.73Å; M266-S302 VanDerWaalsContact O-OG 3.12Å; H300-S302 PolarHBondContact O-N 2.83Å; S302-Y304 WeakPolarHBondContact O-CD2 3.35Å; S302-V323 PolarHBondContact N-O 3.26Å; S302-V323 VanDerWaalsContact N-O 3.11Å; S302-V323 PolarHBondContact O-N 2.87Å |
| 303 | F | 90.2 | Very high | 86.7 | Confident | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.9 | 162.9 | -63.3 | -97.8 | 0 | 0 | 0 | 108.5 | L265 M266 L269 L320 F321 Q322 | L265-F303 CarbonylContact C-O 3.54Å; L265-F303 VanDerWaalsContact CA-O 3.31Å; L265-F303 WeakPolarHBondContact CA-O 3.23Å; M266-F303 HydrophobicContact CG-CB 3.69Å; M266-F303 PolarHBondContact N-O 3.33Å; M266-F303 PolarHBondContact O-N 3.34Å; M266-F303 VanDerWaalsContact O-N 3.09Å; L269-F303 HydrophobicContact CD1-CE1 4.01Å; L269-F303 HydrophobicContact CD1-CZ 4.08Å; L269-F303 HydrophobicContact CD2-CD1 3.6Å; L269-F303 HydrophobicContact CD2-CD2 4.36Å; L269-F303 HydrophobicContact CD2-CE1 3.76Å; L269-F303 HydrophobicContact CD2-CG 3.92Å; L269-F303 HydrophobicContact CD2-CZ 4.24Å; L269-F303 HydrophobicContact CG-CD1 4.04Å; L269-F303 HydrophobicContact CG-CD2 4.28Å; L269-F303 HydrophobicContact CG-CE1 3.74Å; L269-F303 HydrophobicContact CG-CE2 4.02Å; L269-F303 HydrophobicContact CG-CG 4.31Å; L269-F303 HydrophobicContact CG-CZ 3.74Å; F303-L320 HydrophobicContact CB-CD1 3.94Å; F303-L320 HydrophobicContact CD1-CD1 4.49Å; F303-F321 CarbonylContact C-O 3.57Å; F303-F321 WeakPolarHBondContact CA-O 3.4Å; F303-Q322 HydrophobicContact CD1-CB 3.86Å; F303-Q322 HydrophobicContact CD1-CG 4.06Å; F303-Q322 HydrophobicContact CE1-CB 3.8Å; F303-Q322 HydrophobicContact CE1-CG 3.61Å; F303-Q322 HydrophobicContact CZ-CG 4.09Å |
| 304 | Y | 92.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.3 | -179.6 | -67.9 | -96 | 0 | 0 | 0 | 109.9 | L243 G264 L265 V276 L279 L291 I293 H300 S302 F321 V323 | L243-Y304 HydrophobicContact CD1-CD2 4.12Å; L243-Y304 HydrophobicContact CD1-CG 3.89Å; G264-Y304 CarbonylContact O-C 3.22Å; G264-Y304 WeakPolarHBondContact O-CA 3.3Å; L265-Y304 HydrophobicContact CB-CD1 4.16Å; L265-Y304 HydrophobicContact CB-CE1 4.2Å; V276-Y304 HydrophobicContact CG1-CE1 4.4Å; V276-Y304 HydrophobicContact CG2-CD1 4.09Å; V276-Y304 HydrophobicContact CG2-CE1 4.39Å; L279-Y304 HydrophobicContact CD1-CE1 4.05Å; L279-Y304 VanDerWaalsContact CD1-OH 3.26Å; L279-Y304 WeakPolarHBondContact CD1-OH 3.35Å; L291-Y304 HydrophobicContact CD2-CD1 3.66Å; L291-Y304 HydrophobicContact CD2-CE1 4.13Å; L291-Y304 HydrophobicContact CD2-CG 4.43Å; I293-Y304 HydrophobicContact CD1-CE1 3.99Å; I293-Y304 HydrophobicContact CD1-CE2 3.9Å; I293-Y304 WeakPolarHBondContact CD1-OH 3.17Å; H300-Y304 WeakPolarHBondContact O-CE2 3.46Å; H300-Y304 PolarHBondContact O-OH 2.73Å; S302-Y304 WeakPolarHBondContact O-CD2 3.35Å; Y304-F321 PolarHBondContact N-O 3.42Å; Y304-F321 PolarHBondContact O-N 3.17Å; Y304-V323 HydrophobicContact CD2-CB 3.93Å; Y304-V323 HydrophobicContact CD2-CG2 3.61Å; Y304-V323 HydrophobicContact CE2-CB 3.91Å; Y304-V323 HydrophobicContact CE2-CG2 4.06Å |
| 305 | T | 90.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.5 | 173.2 | 43.5 | 0 | 0 | 0 | 0 | 110.4 | W263 G264 M266 Q273 I318 F319 L320 | W263-T305 CarbonylContact C-O 3.58Å; W263-T305 VanDerWaalsContact CA-O 3.32Å; W263-T305 WeakPolarHBondContact CA-O 3.41Å; G264-T305 WeakPolarHBondContact CA-OG1 3.27Å; G264-T305 PolarHBondContact N-O 3.36Å; G264-T305 PolarHBondContact O-N 2.74Å; G264-T305 PolarHBondContact O-OG1 2.95Å; M266-T305 HydrophobicContact CE-CG2 3.79Å; Q273-T305 PolarHBondContact NE2-OG1 3.03Å; Q273-T305 VanDerWaalsContact NE2-OG1 3.15Å; T305-I318 HydrophobicContact CG2-CG2 4.44Å; T305-F319 VanDerWaalsContact CA-O 3.3Å; T305-F319 WeakPolarHBondContact CA-O 3.46Å; T305-L320 HydrophobicContact CG2-CD1 3.8Å |
| 306 | C | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.4 | 156.7 | 72 | 0 | 0 | 0 | 0 | 109.5 | C245 T261 V262 W263 I318 F319 | C245-C306 VanDerWaalsContact CA-SG 3.58Å; C245-C306 HydrophobicContact CB-CB 3.8Å; C245-C306 WeakPolarHBondContact CB-SG 3.45Å; C245-C306 WeakPolarHBondContact SG-CB 3.35Å; C245-C306 CovalentContact SG-SG 2.04Å; C245-C306 PolarHBondContact SG-SG 2.87Å; T261-C306 HydrophobicContact CG2-CB 4.04Å; V262-C306 WeakPolarHBondContact O-CA 3.3Å; W263-C306 HydrophobicContact CD2-CB 3.84Å; W263-C306 HydrophobicContact CE3-CB 3.78Å; W263-C306 HydrophobicContact CH2-CB 3.94Å; W263-C306 HydrophobicContact CZ2-CB 4Å; W263-C306 HydrophobicContact CZ3-CB 3.83Å; C306-I318 WeakPolarHBondContact O-CA 3.14Å; C306-F319 PolarHBondContact N-O 3.12Å; C306-F319 PolarHBondContact O-N 3.17Å |
| 307 | E | 87.3 | Confident | 82.8 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.7 | 168.3 | 179.7 | 178.1 | -179.7 | 0 | 0 | 107.6 | T261 V262 R316 Y317 I318 | T261-E307 CarbonylContact C-O 3.58Å; T261-E307 WeakPolarHBondContact CA-O 3.42Å; V262-E307 HydrophobicContact CB-CB 4.48Å; V262-E307 PolarHBondContact N-O 3.07Å; V262-E307 PolarHBondContact O-N 3.33Å; E307-R316 WeakPolarHBondContact OE1-CD 3.39Å; E307-R316 IonicContact OE1-CZ 3.76Å; E307-R316 IonicContact OE1-NE 3.92Å; E307-R316 IonicContact OE1-NH1 2.77Å; E307-R316 PolarHBondContact OE1-NH1 2.82Å; E307-Y317 WeakPolarHBondContact CA-O 3.25Å; E307-I318 HydrophobicContact CB-CG1 4.17Å; E307-I318 HydrophobicContact CG-CG1 4.06Å |
| 308 | I | 87.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.2 | 177.3 | -170 | 175.1 | 0 | 0 | 0 | 110.1 | Q247 P259 I260 W310 R316 Y317 F319 | Q247-I308 HydrophobicContact CG-CD1 4.28Å; P259-I308 HydrophobicContact CB-CD1 3.83Å; P259-I308 HydrophobicContact CB-CG1 3.7Å; P259-I308 HydrophobicContact CG-CD1 4Å; P259-I308 HydrophobicContact CG-CG1 4.38Å; I260-I308 WeakPolarHBondContact O-CA 3.43Å; I308-W310 HydrophobicContact CD1-CH2 4.21Å; I308-W310 HydrophobicContact CD1-CZ2 4.18Å; I308-W310 HydrophobicContact CG1-CH2 4.11Å; I308-W310 HydrophobicContact CG1-CZ2 4.38Å; I308-W310 HydrophobicContact CG2-CH2 4.14Å; I308-R316 WeakPolarHBondContact O-CA 3.5Å; I308-Y317 HydrophobicContact CG2-CD2 4.27Å; I308-Y317 PolarHBondContact N-O 2.88Å; I308-Y317 PolarHBondContact O-N 3.44Å; I308-F319 HydrophobicContact CG2-CD2 4.5Å; I308-F319 HydrophobicContact CG2-CE2 3.98Å |
| 309 | S | 82.3 | Confident | 82.6 | Confident | 25 Ų | 25 | 43 Ų | 43 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 152.2 | -178.1 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | P259 I260 | P259-S309 CarbonylContact C-O 3.18Å; P259-S309 WeakPolarHBondContact CA-O 3.4Å; I260-S309 PolarHBondContact N-O 2.92Å; I260-S309 PolarHBondContact O-N 2.85Å |
| 310 | W | 80.7 | Confident | 82.6 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | trans | -107.1 | 130.4 | -178.4 | -66.4 | -104.2 | 0 | 0 | 0 | 110.5 | P248 I257 P259 I308 G312 S313 D315 Y317 | P248-W310 HydrophobicContact CG-CH2 4.15Å; I257-W310 HydrophobicContact CG2-CB 4.45Å; P259-W310 HydrophobicContact CB-CD2 4.43Å; P259-W310 HydrophobicContact CB-CG 4.49Å; P259-W310 HydrophobicContact CB-CZ2 4.42Å; I308-W310 HydrophobicContact CD1-CH2 4.21Å; I308-W310 HydrophobicContact CD1-CZ2 4.18Å; I308-W310 HydrophobicContact CG1-CH2 4.11Å; I308-W310 HydrophobicContact CG1-CZ2 4.38Å; I308-W310 HydrophobicContact CG2-CH2 4.14Å; W310-G312 PolarHBondContact O-N 2.95Å; W310-S313 PolarHBondContact O-N 2.75Å; W310-D315 HydrophobicContact CE3-CB 3.72Å; W310-D315 HydrophobicContact CZ3-CB 3.92Å; W310-Y317 HydrophobicContact CE3-CE2 4.48Å; W310-Y317 AromaticContact CH2-CD2 3.57Å; W310-Y317 HydrophobicContact CH2-CD2 3.57Å; W310-Y317 AromaticContact CH2-CE2 3.63Å; W310-Y317 HydrophobicContact CH2-CE2 3.63Å; W310-Y317 AromaticContact CZ3-CD2 3.44Å; W310-Y317 HydrophobicContact CZ3-CD2 3.44Å; W310-Y317 VanDerWaalsContact CZ3-CD2 3.44Å; W310-Y317 AromaticContact CZ3-CE2 3.41Å; W310-Y317 HydrophobicContact CZ3-CE2 3.41Å; W310-Y317 VanDerWaalsContact CZ3-CE2 3.41Å | ||
| 311 | P | 75.2 | Confident | 82.6 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 111.3 | 170.9 | -29.2 | 35.1 | 0 | 0 | 0 | 112.3 | I257 T258 I260 | I257-P311 HydrophobicContact CG2-CB 4.29Å; I257-P311 HydrophobicContact CG2-CG 4.23Å; T258-P311 WeakPolarHBondContact O-CD 3.47Å; I260-P311 HydrophobicContact CD1-CG 4.07Å; I260-P311 HydrophobicContact CG1-CG 4.14Å |
| 312 | G | 72.6 | Confident | 82.5 | Confident | 91 Ų | 91 | 33.7 Ų | 33.7 | 94% | 0.938 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.6 | -9.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | W310 | W310-G312 PolarHBondContact O-N 2.95Š|
| 313 | S | 72.7 | Confident | 82.5 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | trans | -94.3 | 159.4 | 169 | -164.7 | 0 | 0 | 0 | 0 | 112.3 | N216 W310 D315 | N216-S313 PolarHBondContact ND2-OG 3.33Å; W310-S313 PolarHBondContact O-N 2.75Å; S313-D315 VanDerWaalsContact C-N 3.34Å; S313-D315 PolarHBondContact OG-N 2.9Å; S313-D315 VanDerWaalsContact OG-N 3.11Å; S313-D315 PolarHBondContact OG-OD2 2.91Å | ||
| 314 | S | 66.2 | Low | 82.3 | Confident | 92 Ų | 92 | 34.2 Ų | 34.2 | 64% | 0.643 | 20% | 0.201 | S | C | * | . | trans | -81.6 | -13.7 | 162.4 | 56.8 | 0 | 0 | 0 | 0 | 113 | N216 R316 | N216-S314 PolarHBondContact ND2-OG 3.34Å; S314-R316 PolarHBondContact O-N 2.86Å | ||
| 315 | D | 68.6 | Low | 82 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | trans | -54.3 | 127 | 179.3 | -75.6 | -80.7 | 0 | 0 | 0 | 112 | N216 W310 S313 Y317 | N216-D315 PolarHBondContact ND2-OD2 3.04Å; W310-D315 HydrophobicContact CE3-CB 3.72Å; W310-D315 HydrophobicContact CZ3-CB 3.92Å; S313-D315 VanDerWaalsContact C-N 3.34Å; S313-D315 PolarHBondContact OG-N 2.9Å; S313-D315 VanDerWaalsContact OG-N 3.11Å; S313-D315 PolarHBondContact OG-OD2 2.91Å; D315-Y317 HydrophobicContact CB-CE2 3.93Å; D315-Y317 PolarHBondContact OD1-OH 2.81Å | ||
| 316 | R | 73.8 | Confident | 81.7 | Confident | 162 Ų | 162 | 36.6 Ų | 36.6 | 61% | 0.611 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.4 | 168.6 | -60.9 | -179.9 | -177 | -138.3 | 8.2 | 108.8 | E307 I308 S314 | E307-R316 WeakPolarHBondContact OE1-CD 3.39Å; E307-R316 IonicContact OE1-CZ 3.76Å; E307-R316 IonicContact OE1-NE 3.92Å; E307-R316 IonicContact OE1-NH1 2.77Å; E307-R316 PolarHBondContact OE1-NH1 2.82Å; I308-R316 WeakPolarHBondContact O-CA 3.5Å; S314-R316 PolarHBondContact O-N 2.86Å |
| 317 | Y | 78.9 | Confident | 81.2 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.8 | 172 | -52.2 | -90.3 | 0 | 0 | 0 | 108.5 | Q213 M214 I223 P248 E307 I308 W310 D315 | Q213-Y317 HydrophobicContact CB-CD1 4.01Å; Q213-Y317 HydrophobicContact CB-CE1 4.21Å; Q213-Y317 HydrophobicContact CG-CD1 4.05Å; M214-Y317 WeakPolarHBondContact O-CE1 3.45Å; M214-Y317 PolarHBondContact O-OH 2.87Å; M214-Y317 VanDerWaalsContact O-OH 3.06Å; I223-Y317 HydrophobicContact CD1-CD1 4.5Å; I223-Y317 HydrophobicContact CD1-CE1 3.66Å; P248-Y317 HydrophobicContact CG-CD1 4.2Å; P248-Y317 HydrophobicContact CG-CD2 3.58Å; P248-Y317 HydrophobicContact CG-CE1 4.42Å; P248-Y317 HydrophobicContact CG-CE2 3.88Å; P248-Y317 HydrophobicContact CG-CG 3.77Å; E307-Y317 WeakPolarHBondContact CA-O 3.25Å; I308-Y317 HydrophobicContact CG2-CD2 4.27Å; I308-Y317 PolarHBondContact N-O 2.88Å; I308-Y317 PolarHBondContact O-N 3.44Å; W310-Y317 HydrophobicContact CE3-CE2 4.48Å; W310-Y317 AromaticContact CH2-CD2 3.57Å; W310-Y317 HydrophobicContact CH2-CD2 3.57Å; W310-Y317 AromaticContact CH2-CE2 3.63Å; W310-Y317 HydrophobicContact CH2-CE2 3.63Å; W310-Y317 AromaticContact CZ3-CD2 3.44Å; W310-Y317 HydrophobicContact CZ3-CD2 3.44Å; W310-Y317 VanDerWaalsContact CZ3-CD2 3.44Å; W310-Y317 AromaticContact CZ3-CE2 3.41Å; W310-Y317 HydrophobicContact CZ3-CE2 3.41Å; W310-Y317 VanDerWaalsContact CZ3-CE2 3.41Å; D315-Y317 HydrophobicContact CB-CE2 3.93Å; D315-Y317 PolarHBondContact OD1-OH 2.81Å |
| 318 | I | 82.8 | Confident | 80.8 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.2 | 176.5 | -58.5 | 174.7 | 0 | 0 | 0 | 108 | N164 T305 C306 E307 | N164-I318 HydrophobicContact CB-CB 4.36Å; N164-I318 HydrophobicContact CB-CD1 4.22Å; N164-I318 HydrophobicContact CB-CG2 4.03Å; T305-I318 HydrophobicContact CG2-CG2 4.44Å; C306-I318 WeakPolarHBondContact O-CA 3.14Å; E307-I318 HydrophobicContact CB-CG1 4.17Å; E307-I318 HydrophobicContact CG-CG1 4.06Å |
| 319 | F | 85.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.8 | 172.5 | -58.7 | -85.4 | 0 | 0 | 0 | 109.8 | L211 L226 F231 P246 P248 T305 C306 I308 F321 | L211-F319 HydrophobicContact CD1-CD1 4.38Å; L211-F319 HydrophobicContact CD1-CE1 4.32Å; L211-F319 HydrophobicContact CD2-CD1 4.38Å; L226-F319 HydrophobicContact CD1-CE1 3.88Å; L226-F319 HydrophobicContact CD1-CZ 3.88Å; L226-F319 HydrophobicContact CD2-CE1 4.03Å; L226-F319 HydrophobicContact CD2-CZ 4.07Å; L226-F319 HydrophobicContact CG-CE1 4.41Å; F231-F319 HydrophobicContact CE1-CB 4.08Å; F231-F319 AromaticContact CE1-CD1 3.72Å; F231-F319 HydrophobicContact CE1-CD1 3.72Å; F231-F319 HydrophobicContact CE1-CG 4.3Å; F231-F319 AromaticContact CZ-CD1 3.85Å; F231-F319 HydrophobicContact CZ-CD1 3.85Å; F231-F319 HydrophobicContact CZ-CE1 4.41Å; P246-F319 HydrophobicContact CB-CD1 4.43Å; P246-F319 HydrophobicContact CB-CE1 3.94Å; P246-F319 HydrophobicContact CB-CE2 4.16Å; P246-F319 HydrophobicContact CB-CZ 3.8Å; P246-F319 HydrophobicContact CG-CD1 3.92Å; P246-F319 HydrophobicContact CG-CD2 4.44Å; P246-F319 HydrophobicContact CG-CE1 3.91Å; P246-F319 HydrophobicContact CG-CE2 4.43Å; P246-F319 HydrophobicContact CG-CG 4.19Å; P246-F319 HydrophobicContact CG-CZ 4.18Å; P246-F319 WeakPolarHBondContact O-CE2 3.27Å; P248-F319 HydrophobicContact CG-CZ 4.38Å; T305-F319 VanDerWaalsContact CA-O 3.3Å; T305-F319 WeakPolarHBondContact CA-O 3.46Å; C306-F319 PolarHBondContact N-O 3.12Å; C306-F319 PolarHBondContact O-N 3.17Å; I308-F319 HydrophobicContact CG2-CD2 4.5Å; I308-F319 HydrophobicContact CG2-CE2 3.98Å; F319-F321 HydrophobicContact CB-CE2 4.29Å |
| 320 | L | 87.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 111.6 | -174.9 | 178.4 | 56.4 | 0 | 0 | 0 | 109 | H194 L269 F303 T305 | H194-L320 VanDerWaalsContact CD2-CD2 3.48Å; H194-L320 WeakPolarHBondContact CD2-CD2 3.36Å; H194-L320 WeakPolarHBondContact NE2-CD2 3.39Å; L269-L320 HydrophobicContact CD2-CD2 3.87Å; F303-L320 HydrophobicContact CB-CD1 3.94Å; F303-L320 HydrophobicContact CD1-CD1 4.49Å; T305-L320 HydrophobicContact CG2-CD1 3.8Å |
| 321 | F | 89.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 144.6 | 175.3 | -58.3 | -91.8 | 0 | 0 | 0 | 110.1 | F231 L243 E244 W263 F303 Y304 F319 V323 | F231-F321 AromaticContact CD1-CD1 3.95Å; F231-F321 HydrophobicContact CD1-CD1 3.95Å; F231-F321 AromaticContact CD1-CE1 3.84Å; F231-F321 HydrophobicContact CD1-CE1 3.84Å; F231-F321 HydrophobicContact CD1-CG 4.49Å; F231-F321 HydrophobicContact CD1-CZ 4.29Å; F231-F321 HydrophobicContact CE1-CE1 4.22Å; F231-F321 HydrophobicContact CE1-CZ 4.35Å; F231-F321 CarbonylContact O-C 3.58Å; F231-F321 WeakPolarHBondContact O-CA 3.48Å; L243-F321 HydrophobicContact CD1-CB 4.3Å; L243-F321 HydrophobicContact CD1-CG 4.34Å; L243-F321 HydrophobicContact CD2-CD1 4.33Å; E244-F321 WeakPolarHBondContact O-CZ 3.48Å; W263-F321 HydrophobicContact CH2-CD2 4.36Å; W263-F321 AromaticContact CH2-CE2 3.78Å; W263-F321 HydrophobicContact CH2-CE2 3.78Å; W263-F321 HydrophobicContact CH2-CZ 4.37Å; W263-F321 AromaticContact CZ3-CD2 3.94Å; W263-F321 HydrophobicContact CZ3-CD2 3.94Å; W263-F321 AromaticContact CZ3-CE2 3.78Å; W263-F321 HydrophobicContact CZ3-CE2 3.78Å; F303-F321 CarbonylContact C-O 3.57Å; F303-F321 WeakPolarHBondContact CA-O 3.4Å; Y304-F321 PolarHBondContact N-O 3.42Å; Y304-F321 PolarHBondContact O-N 3.17Å; F319-F321 HydrophobicContact CB-CE2 4.29Å; F321-V323 HydrophobicContact CB-CG2 4.21Å |
| 322 | Q | 87.6 | Confident | 80.9 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 113.3 | 169.7 | 177.5 | 175.5 | 10.2 | 0 | 0 | 107.4 | R207 F231 S232 K233 F303 E324 | R207-Q322 VanDerWaalsContact CG-OE1 3.3Å; F231-Q322 PolarHBondContact O-N 3.03Å; S232-Q322 CarbonylContact C-O 3.49Å; S232-Q322 WeakPolarHBondContact CA-O 3.49Å; K233-Q322 PolarHBondContact N-O 2.82Å; F303-Q322 HydrophobicContact CD1-CB 3.86Å; F303-Q322 HydrophobicContact CD1-CG 4.06Å; F303-Q322 HydrophobicContact CE1-CB 3.8Å; F303-Q322 HydrophobicContact CE1-CG 3.61Å; F303-Q322 HydrophobicContact CZ-CG 4.09Å; Q322-E324 HydrophobicContact CG-CG 3.95Å; Q322-E324 VanDerWaalsContact NE2-CD 3.27Å; Q322-E324 PolarHBondContact NE2-OE1 3.46Å; Q322-E324 PolarHBondContact NE2-OE2 3.3Å |
| 323 | V | 90.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115 | -174.7 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | K233 V235 V241 L243 F296 V301 S302 Y304 F321 | K233-V323 HydrophobicContact CB-CG1 4.31Å; K233-V323 HydrophobicContact CB-CG2 4.35Å; K233-V323 WeakPolarHBondContact O-CA 3.44Å; V235-V323 HydrophobicContact CG2-CG1 3.8Å; V241-V323 HydrophobicContact CG1-CG1 4.26Å; L243-V323 HydrophobicContact CD1-CG2 3.77Å; L243-V323 HydrophobicContact CD2-CG2 3.72Å; L243-V323 HydrophobicContact CG-CG2 4.37Å; F296-V323 HydrophobicContact CD2-CG1 4.38Å; F296-V323 HydrophobicContact CE2-CB 4.48Å; F296-V323 HydrophobicContact CE2-CG1 3.49Å; F296-V323 VanDerWaalsContact CE2-CG1 3.49Å; F296-V323 HydrophobicContact CZ-CG1 3.83Å; V301-V323 WeakPolarHBondContact CA-O 3.34Å; S302-V323 PolarHBondContact N-O 3.26Å; S302-V323 VanDerWaalsContact N-O 3.11Å; S302-V323 PolarHBondContact O-N 2.87Å; Y304-V323 HydrophobicContact CD2-CB 3.93Å; Y304-V323 HydrophobicContact CD2-CG2 3.61Å; Y304-V323 HydrophobicContact CE2-CB 3.91Å; Y304-V323 HydrophobicContact CE2-CG2 4.06Å; F321-V323 HydrophobicContact CB-CG2 4.21Å |
| 324 | E | 86.7 | Confident | 81.6 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.7 | -167.4 | -62.4 | -178.6 | 148.1 | 0 | 0 | 111.7 | K233 F234 V235 V301 Q322 A326 N375 | K233-E324 PolarHBondContact O-N 3.39Å; F234-E324 CarbonylContact C-O 3.58Å; F234-E324 WeakPolarHBondContact CA-O 3.3Å; F234-E324 HydrophobicContact CD1-CB 4.13Å; F234-E324 HydrophobicContact CE1-CB 4.34Å; F234-E324 WeakPolarHBondContact CE1-OE2 3.49Å; V235-E324 PolarHBondContact N-O 2.89Å; V301-E324 HydrophobicContact CG1-CG 4.31Å; Q322-E324 HydrophobicContact CG-CG 3.95Å; Q322-E324 VanDerWaalsContact NE2-CD 3.27Å; Q322-E324 PolarHBondContact NE2-OE1 3.46Å; Q322-E324 PolarHBondContact NE2-OE2 3.3Å; E324-A326 PolarHBondContact O-N 2.97Å; E324-N375 WeakPolarHBondContact CB-ND2 3.42Å; E324-N375 PolarHBondContact OE2-ND2 2.7Å |
| 325 | L | 85.2 | Confident | 82.3 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 122.6 | 179.7 | -169.9 | 72.6 | 0 | 0 | 0 | 109.4 | R237 F296 V301 A327 | R237-L325 HydrophobicContact CB-CD1 4.05Å; R237-L325 HydrophobicContact CG-CD1 4.42Å; F296-L325 HydrophobicContact CD1-CD1 3.83Å; F296-L325 HydrophobicContact CE1-CB 4.2Å; F296-L325 HydrophobicContact CE1-CD1 3.95Å; V301-L325 HydrophobicContact CG2-CB 3.8Å; L325-A327 PolarHBondContact O-N 2.8Å |
| 326 | A | 84.3 | Confident | 83 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | trans | -70.1 | 116.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F234 V235 M236 E324 N375 T443 A444 | F234-A326 HydrophobicContact CB-CB 4.32Å; V235-A326 PolarHBondContact O-N 2.73Å; M236-A326 HydrophobicContact CG-CB 4.25Å; E324-A326 PolarHBondContact O-N 2.97Å; A326-N375 WeakPolarHBondContact CA-O 3.45Å; A326-T443 WeakPolarHBondContact CB-OG1 3.34Å; A326-A444 HydrophobicContact CB-CB 3.94Å | ||
| 327 | A | 79.4 | Confident | 83.3 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 34% | 0.339 | 16% | 0.155 | S | C | . | . | B | Isolated β-bridge | trans | -133 | 142 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L325 S374 N375 N442 | L325-A327 PolarHBondContact O-N 2.8Å; A327-S374 WeakPolarHBondContact O-CA 3.09Å; A327-S374 WeakPolarHBondContact O-CB 3.34Å; A327-N375 PolarHBondContact N-O 2.87Å; A327-N375 PolarHBondContact O-N 3.43Å; A327-N375 VanDerWaalsContact O-N 3.14Å; A327-N442 PolarHBondContact O-ND2 3.35Å |
| 328 | L | 79.2 | Confident | 83.2 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | trans | -133.2 | 115.9 | 176.6 | -176.4 | 59.2 | 0 | 0 | 0 | 109.9 | S374 P378 L440 A444 G445 A447 | L328-S374 WeakPolarHBondContact CA-OG 3.16Å; L328-P378 HydrophobicContact CD1-CB 4Å; L328-L440 HydrophobicContact CD1-CB 4.06Å; L328-A444 HydrophobicContact CB-CB 4.04Å; L328-G445 WeakPolarHBondContact CD2-O 3.38Å; L328-A447 HydrophobicContact CD2-CB 3.95Å; L328-A447 HydrophobicContact CG-CB 4.14Å | ||
| 329 | Y | 78.8 | Confident | 82.7 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 156.8 | 170.4 | 68.6 | -110.3 | 0 | 0 | 0 | 110.5 | Y358 S360 Q372 S374 L440 | Y329-Y358 WeakPolarHBondContact CE2-OH 3.33Å; Y329-Y358 PolarHBondContact OH-OH 2.79Å; Y329-S360 WeakPolarHBondContact CE2-OG 3.27Å; Y329-S360 VanDerWaalsContact CZ-OG 3.26Å; Y329-S360 PolarHBondContact OH-OG 2.72Å; Y329-Q372 WeakPolarHBondContact CD1-O 3.13Å; Y329-S374 WeakPolarHBondContact CD1-OG 3.42Å; Y329-S374 WeakPolarHBondContact CE1-OG 3.31Å; Y329-S374 PolarHBondContact N-OG 2.86Å; Y329-L440 HydrophobicContact CD2-CD1 4.07Å; Y329-L440 HydrophobicContact CE2-CD1 3.29Å |
| 330 | Y | 80.3 | Confident | 82.1 | Confident | 168 Ų | 168 | 36.1 Ų | 36.1 | 66% | 0.659 | 17% | 0.172 | S | C | * | . | P | Polyproline II helix | trans | -96.8 | 126.6 | 172.4 | -72.6 | -98.6 | 0 | 0 | 0 | 109.9 | A447 | Y330-A447 HydrophobicContact CD1-CB 3.79Å; Y330-A447 HydrophobicContact CE1-CB 4Å; Y330-A447 HydrophobicContact CG-CB 4.28Å |
| 331 | P | 84.8 | Confident | 81.5 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -70 | 137.9 | -179.8 | 28.3 | -32.5 | 0 | 0 | 0 | 110.5 | F336 Y358 M438 L440 I449 | P331-F336 HydrophobicContact CB-CE2 4.42Å; P331-Y358 HydrophobicContact CB-CE2 4.07Å; P331-M438 HydrophobicContact CB-CE 3.81Å; P331-M438 HydrophobicContact CG-CE 3.98Å; P331-L440 HydrophobicContact CB-CD1 4.18Å; P331-L440 HydrophobicContact CG-CD1 3.98Å; P331-L440 HydrophobicContact CG-CG 4.33Å; P331-I449 HydrophobicContact CB-CG2 4.05Å; P331-I449 HydrophobicContact CG-CB 4.06Å; P331-I449 HydrophobicContact CG-CG2 3.65Å |
| 332 | K | 83.2 | Confident | 80.8 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | trans | -110.5 | 152.5 | -174.7 | -51.2 | 148.5 | -169.6 | 158.5 | 0 | 109.5 | S334 D335 F336 | K332-S334 VanDerWaalsContact CB-OG 3.23Å; K332-S334 WeakPolarHBondContact CB-OG 3.48Å; K332-S334 PolarHBondContact O-N 3.27Å; K332-S334 VanDerWaalsContact O-N 3.1Å; K332-D335 WeakPolarHBondContact CA-OD2 3.3Å; K332-D335 WeakPolarHBondContact CB-OD2 3.38Å; K332-D335 PolarHBondContact N-OD2 3.3Å; K332-D335 WeakPolarHBondContact O-CB 3.45Å; K332-D335 VanDerWaalsContact O-CG 3.3Å; K332-D335 PolarHBondContact O-N 3.06Å; K332-F336 VanDerWaalsContact O-CD2 3.25Å; K332-F336 WeakPolarHBondContact O-CD2 3.23Å; K332-F336 WeakPolarHBondContact O-CE2 3.36Å | ||
| 333 | R | 83.2 | Confident | 80.1 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -63.9 | -13.8 | 175.8 | -71.3 | -164 | 173.2 | -155.2 | -7.3 | 114 | D335 L340 K341 Q344 I449 V450 F451 | R333-D335 VanDerWaalsContact C-N 3.26Å; R333-L340 WeakPolarHBondContact CB-O 3.48Å; R333-L340 WeakPolarHBondContact CD-O 3.22Å; R333-K341 PolarHBondContact NH1-O 2.72Å; R333-Q344 PolarHBondContact NH1-O 3.06Å; R333-I449 HydrophobicContact CG-CD1 3.78Å; R333-V450 PolarHBondContact NH2-O 3.3Å; R333-F451 HydrophobicContact CG-CE1 3.97Å; R333-F451 HydrophobicContact CG-CZ 4.48Å |
| 334 | S | 77.6 | Confident | 79.6 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -66.3 | -26.7 | 170.5 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | H84 K332 F336 R339 | H84-S334 PolarHBondContact NE2-O 3.31Å; K332-S334 VanDerWaalsContact CB-OG 3.23Å; K332-S334 WeakPolarHBondContact CB-OG 3.48Å; K332-S334 PolarHBondContact O-N 3.27Å; K332-S334 VanDerWaalsContact O-N 3.1Å; S334-F336 PolarHBondContact O-N 2.8Å; S334-R339 PolarHBondContact O-NE 3.09Å; S334-R339 VanDerWaalsContact O-NE 3.09Å |
| 335 | D | 80 | Confident | 79.6 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -90.9 | 12 | -165.2 | -40.9 | -19 | 0 | 0 | 0 | 111.4 | K332 R333 Y358 Y359 | K332-D335 WeakPolarHBondContact CA-OD2 3.3Å; K332-D335 WeakPolarHBondContact CB-OD2 3.38Å; K332-D335 PolarHBondContact N-OD2 3.3Å; K332-D335 WeakPolarHBondContact O-CB 3.45Å; K332-D335 VanDerWaalsContact O-CG 3.3Å; K332-D335 PolarHBondContact O-N 3.06Å; R333-D335 VanDerWaalsContact C-N 3.26Å; D335-Y358 HydrophobicContact CB-CD2 4.38Å; D335-Y358 HydrophobicContact CB-CE2 4.07Å; D335-Y359 PolarHBondContact O-N 3.02Å |
| 336 | F | 84.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.3 | -174.7 | -67.3 | -102.8 | 0 | 0 | 0 | 110.6 | P331 K332 S334 P338 R339 L356 R357 Y358 W382 M438 I449 F451 | P331-F336 HydrophobicContact CB-CE2 4.42Å; K332-F336 VanDerWaalsContact O-CD2 3.25Å; K332-F336 WeakPolarHBondContact O-CD2 3.23Å; K332-F336 WeakPolarHBondContact O-CE2 3.36Å; S334-F336 PolarHBondContact O-N 2.8Å; F336-P338 CarbonylContact C-O 3.58Å; F336-P338 CarbonylContact O-C 3.54Å; F336-R339 WeakPolarHBondContact O-CG 3.39Å; F336-R339 PolarHBondContact O-N 3.18Å; F336-L356 HydrophobicContact CB-CD1 4.14Å; F336-L356 HydrophobicContact CD1-CD1 4.09Å; F336-L356 HydrophobicContact CD1-CG 4.09Å; F336-R357 CarbonylContact C-O 3.53Å; F336-R357 VanDerWaalsContact CA-O 3.26Å; F336-R357 WeakPolarHBondContact CA-O 3.38Å; F336-Y358 HydrophobicContact CD1-CD2 4.11Å; F336-Y358 HydrophobicContact CD2-CD2 4.02Å; F336-Y358 AromaticContact CE1-CD2 3.62Å; F336-Y358 HydrophobicContact CE1-CD2 3.62Å; F336-Y358 HydrophobicContact CE1-CG 4.07Å; F336-Y358 AromaticContact CE2-CD2 3.52Å; F336-Y358 HydrophobicContact CE2-CD2 3.52Å; F336-Y358 AromaticContact CE2-CE2 3.8Å; F336-Y358 HydrophobicContact CE2-CE2 3.8Å; F336-Y358 HydrophobicContact CG-CD2 4.3Å; F336-Y358 AromaticContact CZ-CD2 3.3Å; F336-Y358 HydrophobicContact CZ-CD2 3.3Å; F336-Y358 AromaticContact CZ-CE2 3.81Å; F336-Y358 HydrophobicContact CZ-CE2 3.81Å; F336-Y358 HydrophobicContact CZ-CG 4.12Å; F336-W382 AromaticContact CE1-CH2 3.92Å; F336-W382 HydrophobicContact CE1-CH2 3.92Å; F336-W382 HydrophobicContact CE1-CZ2 4.05Å; F336-M438 HydrophobicContact CE1-CE 4.42Å; F336-M438 HydrophobicContact CE1-SD 3.81Å; F336-M438 HydrophobicContact CZ-CE 3.7Å; F336-M438 HydrophobicContact CZ-SD 3.7Å; F336-I449 HydrophobicContact CE2-CD1 4.17Å; F336-I449 HydrophobicContact CE2-CG2 4.2Å; F336-I449 HydrophobicContact CZ-CG2 3.8Å; F336-F451 HydrophobicContact CB-CZ 4.45Å; F336-F451 AromaticContact CD1-CE2 3.88Å; F336-F451 HydrophobicContact CD1-CE2 3.88Å; F336-F451 AromaticContact CD1-CZ 3.67Å; F336-F451 HydrophobicContact CD1-CZ 3.67Å; F336-F451 HydrophobicContact CD2-CE1 4.45Å; F336-F451 HydrophobicContact CD2-CE2 4.38Å; F336-F451 AromaticContact CD2-CZ 3.6Å; F336-F451 HydrophobicContact CD2-CZ 3.6Å; F336-F451 AromaticContact CE1-CE2 3.47Å; F336-F451 HydrophobicContact CE1-CE2 3.47Å; F336-F451 VanDerWaalsContact CE1-CE2 3.47Å; F336-F451 AromaticContact CE1-CZ 3.65Å; F336-F451 HydrophobicContact CE1-CZ 3.65Å; F336-F451 HydrophobicContact CE2-CE2 4.04Å; F336-F451 AromaticContact CE2-CZ 3.6Å; F336-F451 HydrophobicContact CE2-CZ 3.6Å; F336-F451 HydrophobicContact CG-CE1 4.33Å; F336-F451 HydrophobicContact CG-CE2 4.31Å; F336-F451 AromaticContact CG-CZ 3.64Å; F336-F451 HydrophobicContact CG-CZ 3.64Å; F336-F451 AromaticContact CZ-CE2 3.56Å; F336-F451 HydrophobicContact CZ-CE2 3.56Å; F336-F451 AromaticContact CZ-CZ 3.61Å; F336-F451 HydrophobicContact CZ-CZ 3.61Å |
| 337 | S | 78.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.3 | 164 | -162.1 | 0 | 0 | 0 | 0 | 110.3 | R71 R357 | R71-S337 WeakPolarHBondContact CB-OG 3.25Å; R71-S337 VanDerWaalsContact CG-OG 3.26Å; R71-S337 WeakPolarHBondContact CG-OG 3.22Å; S337-R357 PolarHBondContact N-O 2.68Å; S337-R357 PolarHBondContact O-N 2.8Å |
| 338 | P | 77.6 | Confident | 80.4 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | S | Bend | cis | -61.1 | 149 | -1.9 | 24.8 | -34.1 | 0 | 0 | 0 | 113.8 | S69 F336 L340 F346 L356 | S69-P338 WeakPolarHBondContact O-CA 3.3Å; S69-P338 WeakPolarHBondContact O-CB 3.17Å; F336-P338 CarbonylContact C-O 3.58Å; F336-P338 CarbonylContact O-C 3.54Å; P338-L340 HydrophobicContact CB-CD2 4.39Å; P338-L340 HydrophobicContact CB-CG 4.49Å; P338-L340 HydrophobicContact CG-CD1 4.45Å; P338-L340 HydrophobicContact CG-CD2 4.14Å; P338-L340 HydrophobicContact CG-CG 4.21Å; P338-L340 PolarHBondContact O-N 3.5Å; P338-F346 HydrophobicContact CG-CD2 3.69Å; P338-F346 HydrophobicContact CG-CE2 3.61Å; P338-F346 HydrophobicContact CG-CG 4.21Å; P338-F346 HydrophobicContact CG-CZ 4.04Å; P338-L356 HydrophobicContact CG-CD1 4.49Å |
| 339 | R | 72.9 | Confident | 80.9 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | trans | -78 | 102.1 | 171 | -78.6 | -169.9 | 179.2 | 166.1 | 5.7 | 109.5 | H84 S334 F336 | H84-R339 PolarHBondContact CE1-NH2 3.07Å; H84-R339 VanDerWaalsContact CE1-NH2 3.27Å; H84-R339 PolarHBondContact NE2-NE 3.46Å; H84-R339 PolarHBondContact NE2-NH2 2.89Å; S334-R339 PolarHBondContact O-NE 3.09Å; S334-R339 VanDerWaalsContact O-NE 3.09Å; F336-R339 WeakPolarHBondContact O-CG 3.39Å; F336-R339 PolarHBondContact O-N 3.18Å | ||
| 340 | L | 73.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 129.9 | -175.4 | -62.4 | 162 | 0 | 0 | 0 | 110.6 | R333 P338 F346 L356 F451 | R333-L340 WeakPolarHBondContact CB-O 3.48Å; R333-L340 WeakPolarHBondContact CD-O 3.22Å; P338-L340 HydrophobicContact CB-CD2 4.39Å; P338-L340 HydrophobicContact CB-CG 4.49Å; P338-L340 HydrophobicContact CG-CD1 4.45Å; P338-L340 HydrophobicContact CG-CD2 4.14Å; P338-L340 HydrophobicContact CG-CG 4.21Å; P338-L340 PolarHBondContact O-N 3.5Å; L340-F346 HydrophobicContact CD1-CB 3.86Å; L340-F346 HydrophobicContact CD1-CG 4.5Å; L340-F346 HydrophobicContact CD2-CB 4.15Å; L340-L356 HydrophobicContact CD1-CD1 4.18Å; L340-F451 HydrophobicContact CD1-CD1 3.66Å; L340-F451 HydrophobicContact CD1-CE1 4.15Å |
| 341 | K | 75.4 | Confident | 81.8 | Confident | 161 Ų | 161 | 61.7 Ų | 61.7 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 161 | 173.6 | -63.8 | -177.5 | 179.9 | -178.3 | 0 | 110.5 | R333 N343 Q344 | R333-K341 PolarHBondContact NH1-O 2.72Å; K341-N343 PolarHBondContact O-N 3.18Å; K341-Q344 HydrophobicContact CB-CB 4.03Å; K341-Q344 WeakPolarHBondContact O-CB 3.41Å; K341-Q344 PolarHBondContact O-N 3.08Å; K341-Q344 VanDerWaalsContact O-N 3.09Å |
| 342 | K | 73.9 | Confident | 81.9 | Confident | 184 Ų | 184 | 65 Ų | 65 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.7 | 174.4 | -173.7 | 173.8 | 179.9 | -179.6 | 0 | 109.5 | Q344 | K342-Q344 PolarHBondContact O-N 3.05Å; K342-Q344 VanDerWaalsContact O-N 3.17Å |
| 343 | N | 73.2 | Confident | 82.1 | Confident | 135 Ų | 135 | 64.2 Ų | 64.2 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 7.6 | -174 | -54.8 | 5.7 | 0 | 0 | 0 | 115.9 | K341 | K341-N343 PolarHBondContact O-N 3.18Š|
| 344 | Q | 80.5 | Confident | 82.4 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | trans | -84.2 | 132.8 | 170 | -170 | 179.9 | 9.6 | 0 | 0 | 109.8 | R333 K341 K342 | R333-Q344 PolarHBondContact NH1-O 3.06Å; K341-Q344 HydrophobicContact CB-CB 4.03Å; K341-Q344 WeakPolarHBondContact O-CB 3.41Å; K341-Q344 PolarHBondContact O-N 3.08Å; K341-Q344 VanDerWaalsContact O-N 3.09Å; K342-Q344 PolarHBondContact O-N 3.05Å; K342-Q344 VanDerWaalsContact O-N 3.17Å | ||
| 345 | P | 85.6 | Confident | 83 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | trans | -78.9 | 156.5 | 171.8 | 32.3 | -34.4 | 0 | 0 | 0 | 111.9 | I347 D452 L454 | P345-I347 HydrophobicContact CG-CD1 4.46Å; P345-I347 HydrophobicContact CG-CG1 4.09Å; P345-I347 PolarHBondContact O-N 2.93Å; P345-D452 CarbonylContact C-O 3.57Å; P345-D452 WeakPolarHBondContact CA-O 3.3Å; P345-D452 HydrophobicContact CB-CB 4.26Å; P345-D452 WeakPolarHBondContact CB-O 3.38Å; P345-L454 HydrophobicContact CB-CB 3.96Å; P345-L454 HydrophobicContact CG-CB 4.34Å; P345-L454 HydrophobicContact CG-CD2 4.19Å | ||
| 346 | F | 89.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.3 | 165.7 | -177.4 | -162.7 | 0 | 0 | 0 | 108.8 | P338 L340 V348 A354 L356 D452 I453 L454 | P338-F346 HydrophobicContact CG-CD2 3.69Å; P338-F346 HydrophobicContact CG-CE2 3.61Å; P338-F346 HydrophobicContact CG-CG 4.21Å; P338-F346 HydrophobicContact CG-CZ 4.04Å; L340-F346 HydrophobicContact CD1-CB 3.86Å; L340-F346 HydrophobicContact CD1-CG 4.5Å; L340-F346 HydrophobicContact CD2-CB 4.15Å; F346-V348 HydrophobicContact CD1-CG2 4.1Å; F346-V348 HydrophobicContact CD2-CG2 3.79Å; F346-V348 HydrophobicContact CE1-CG2 3.92Å; F346-V348 HydrophobicContact CE2-CG2 3.57Å; F346-V348 HydrophobicContact CG-CG2 4.05Å; F346-V348 HydrophobicContact CZ-CG2 3.65Å; F346-A354 HydrophobicContact CE1-CB 3.99Å; F346-A354 HydrophobicContact CZ-CB 4.47Å; F346-L356 HydrophobicContact CD1-CB 4.28Å; F346-L356 HydrophobicContact CE1-CB 4.11Å; F346-D452 PolarHBondContact N-O 2.98Å; F346-I453 HydrophobicContact CB-CG1 4.36Å; F346-I453 HydrophobicContact CD1-CD1 4.35Å; F346-I453 HydrophobicContact CD1-CG1 4.33Å; F346-L454 PolarHBondContact O-N 3.22Å |
| 347 | I | 87 | Confident | 83.5 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.5 | -179.5 | -50.8 | -176.2 | 0 | 0 | 0 | 109.3 | P345 L454 N456 D540 | P345-I347 HydrophobicContact CG-CD1 4.46Å; P345-I347 HydrophobicContact CG-CG1 4.09Å; P345-I347 PolarHBondContact O-N 2.93Å; I347-L454 WeakPolarHBondContact CA-O 3.48Å; I347-L454 HydrophobicContact CD1-CD2 4.48Å; I347-L454 HydrophobicContact CG1-CB 4.39Å; I347-L454 HydrophobicContact CG1-CD2 4.32Å; I347-N456 HydrophobicContact CG2-CB 4.19Å; I347-N456 WeakPolarHBondContact CG2-ND2 3.27Å; I347-D540 HydrophobicContact CD1-CB 3.56Å; I347-D540 HydrophobicContact CG2-CB 4.19Å |
| 348 | V | 89 | Confident | 83.8 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.1 | -179.4 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | F346 E352 A354 V428 L454 V455 N456 | F346-V348 HydrophobicContact CD1-CG2 4.1Å; F346-V348 HydrophobicContact CD2-CG2 3.79Å; F346-V348 HydrophobicContact CE1-CG2 3.92Å; F346-V348 HydrophobicContact CE2-CG2 3.57Å; F346-V348 HydrophobicContact CG-CG2 4.05Å; F346-V348 HydrophobicContact CZ-CG2 3.65Å; V348-E352 HydrophobicContact CG1-CB 4.35Å; V348-A354 HydrophobicContact CB-CB 4.48Å; V348-A354 HydrophobicContact CG1-CB 4.17Å; V348-A354 HydrophobicContact CG2-CB 3.85Å; V348-V428 HydrophobicContact CG1-CB 4.47Å; V348-V428 HydrophobicContact CG1-CG2 4.14Å; V348-L454 PolarHBondContact N-O 3.37Å; V348-V455 WeakPolarHBondContact O-CA 3.32Å; V348-N456 PolarHBondContact O-N 3.17Å |
| 349 | R | 89.7 | Confident | 83.5 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 147.7 | 176.6 | -55.9 | -173.8 | -169 | 114.1 | 5.3 | 110.9 | N351 E352 N456 G541 Y542 | R349-N351 PolarHBondContact O-N 2.91Å; R349-E352 HydrophobicContact CB-CB 4.36Å; R349-E352 HydrophobicContact CB-CG 3.97Å; R349-E352 WeakPolarHBondContact CB-OE2 3.43Å; R349-E352 WeakPolarHBondContact CD-OE2 3.29Å; R349-E352 WeakPolarHBondContact CG-OE2 3.44Å; R349-E352 IonicContact CZ-OE1 3.8Å; R349-E352 IonicContact CZ-OE2 2.92Å; R349-E352 IonicContact NH1-OE1 3.44Å; R349-E352 PolarHBondContact NH1-OE1 2.86Å; R349-E352 IonicContact NH1-OE2 2.85Å; R349-E352 PolarHBondContact NH1-OE2 2.9Å; R349-E352 PolarHBondContact O-N 3.41Å; R349-E352 VanDerWaalsContact O-N 3.15Å; R349-N456 CarbonylContact C-O 3.59Å; R349-N456 WeakPolarHBondContact CA-O 3.49Å; R349-G541 VanDerWaalsContact CZ-O 3.25Å; R349-G541 PolarHBondContact NE-O 3.44Å; R349-G541 PolarHBondContact NH2-O 2.83Å; R349-Y542 HydrophobicContact CB-CE2 4.39Å; R349-Y542 HydrophobicContact CG-CE1 4.25Å; R349-Y542 HydrophobicContact CG-CE2 3.92Å |
| 350 | I | 89.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 22% | 0.221 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 136.6 | 169.8 | -163.5 | 173.7 | 0 | 0 | 0 | 110.9 | E352 E430 V455 N456 F457 | I350-E352 VanDerWaalsContact C-N 3.25Å; I350-E352 PolarHBondContact O-N 3.22Å; I350-E430 HydrophobicContact CD1-CG 4.11Å; I350-V455 HydrophobicContact CB-CG1 4.34Å; I350-N456 PolarHBondContact N-O 2.82Å; I350-F457 HydrophobicContact CB-CB 4.18Å; I350-F457 HydrophobicContact CD1-CB 4.36Å; I350-F457 HydrophobicContact CG2-CB 3.75Å |
| 351 | N | 88.7 | Confident | 82.1 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -0.4 | -173.5 | -45.4 | -71.3 | 0 | 0 | 0 | 117.1 | R349 V428 | R349-N351 PolarHBondContact O-N 2.91Å; N351-V428 PolarHBondContact N-O 3.15Å |
| 352 | E | 86.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -84.2 | 171.3 | 166.6 | -67.9 | -175.3 | 164.4 | 0 | 0 | 111.2 | V348 R349 I350 V428 | V348-E352 HydrophobicContact CG1-CB 4.35Å; R349-E352 HydrophobicContact CB-CB 4.36Å; R349-E352 HydrophobicContact CB-CG 3.97Å; R349-E352 WeakPolarHBondContact CB-OE2 3.43Å; R349-E352 WeakPolarHBondContact CD-OE2 3.29Å; R349-E352 WeakPolarHBondContact CG-OE2 3.44Å; R349-E352 IonicContact CZ-OE1 3.8Å; R349-E352 IonicContact CZ-OE2 2.92Å; R349-E352 IonicContact NH1-OE1 3.44Å; R349-E352 PolarHBondContact NH1-OE1 2.86Å; R349-E352 IonicContact NH1-OE2 2.85Å; R349-E352 PolarHBondContact NH1-OE2 2.9Å; R349-E352 PolarHBondContact O-N 3.41Å; R349-E352 VanDerWaalsContact O-N 3.15Å; I350-E352 VanDerWaalsContact C-N 3.25Å; I350-E352 PolarHBondContact O-N 3.22Å; E352-V428 VanDerWaalsContact O-CB 3.29Å; E352-V428 WeakPolarHBondContact O-CB 3.21Å; E352-V428 WeakPolarHBondContact O-CG2 3.45Å; E352-V428 PolarHBondContact O-N 2.99Å |
| 353 | D | 87.6 | Confident | 79.6 | Confident | 78 Ų | 78 | 43.8 Ų | 43.8 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | trans | -100.2 | 112.1 | -178.1 | -71.7 | -9.3 | 0 | 0 | 0 | 111.9 | N355 I425 H426 S427 | D353-N355 PolarHBondContact O-N 2.65Å; D353-N355 PolarHBondContact O-ND2 3.18Å; D353-I425 CarbonylContact C-O 3.54Å; D353-I425 VanDerWaalsContact CA-O 3.31Å; D353-I425 WeakPolarHBondContact CA-O 3.29Å; D353-H426 VanDerWaalsContact OD1-CA 3.27Å; D353-H426 WeakPolarHBondContact OD1-CA 3.37Å; D353-H426 IonicContact OD2-ND1 2.73Å; D353-S427 PolarHBondContact OD1-N 2.92Å | ||
| 354 | A | 89.3 | Confident | 78.3 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F346 V348 V424 I425 V428 | F346-A354 HydrophobicContact CE1-CB 3.99Å; F346-A354 HydrophobicContact CZ-CB 4.47Å; V348-A354 HydrophobicContact CB-CB 4.48Å; V348-A354 HydrophobicContact CG1-CB 4.17Å; V348-A354 HydrophobicContact CG2-CB 3.85Å; A354-V424 WeakPolarHBondContact O-CA 3.22Å; A354-I425 HydrophobicContact CB-CB 4Å; A354-I425 HydrophobicContact CB-CD1 4.2Å; A354-I425 HydrophobicContact CB-CG1 4.29Å; A354-I425 PolarHBondContact N-O 2.85Å; A354-I425 PolarHBondContact O-N 3.33Å; A354-V428 HydrophobicContact CB-CG2 3.73Å |
| 355 | N | 89 | Confident | 76.6 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 105.9 | 177.5 | -78.1 | -102.9 | 0 | 0 | 0 | 108.9 | D353 | D353-N355 PolarHBondContact O-N 2.65Å; D353-N355 PolarHBondContact O-ND2 3.18Å |
| 356 | L | 89.2 | Confident | 74.3 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 97.8 | 175.5 | -178.4 | 59.7 | 0 | 0 | 0 | 109 | F336 P338 L340 F346 W382 L423 F451 | F336-L356 HydrophobicContact CB-CD1 4.14Å; F336-L356 HydrophobicContact CD1-CD1 4.09Å; F336-L356 HydrophobicContact CD1-CG 4.09Å; P338-L356 HydrophobicContact CG-CD1 4.49Å; L340-L356 HydrophobicContact CD1-CD1 4.18Å; F346-L356 HydrophobicContact CD1-CB 4.28Å; F346-L356 HydrophobicContact CE1-CB 4.11Å; L356-W382 HydrophobicContact CD2-CH2 3.74Å; L356-W382 HydrophobicContact CD2-CZ3 4.1Å; L356-W382 HydrophobicContact CG-CH2 4.1Å; L356-L423 HydrophobicContact CB-CB 4.38Å; L356-L423 PolarHBondContact N-O 3.4Å; L356-L423 PolarHBondContact O-N 3.15Å; L356-F451 HydrophobicContact CD2-CB 3.93Å; L356-F451 HydrophobicContact CD2-CD1 4.18Å; L356-F451 HydrophobicContact CD2-CD2 3.71Å; L356-F451 HydrophobicContact CD2-CE2 4.21Å; L356-F451 HydrophobicContact CD2-CG 3.68Å |
| 357 | R | 86 | Confident | 72 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.7 | -170.1 | -62.4 | -166.5 | 170.9 | -125.6 | -8.8 | 111.4 | D86 F336 S337 Y359 H422 | D86-R357 IonicContact OD1-NH1 3.85Å; D86-R357 PolarHBondContact OD1-NH1 3.48Å; D86-R357 WeakPolarHBondContact OD2-CD 3.31Å; D86-R357 IonicContact OD2-CZ 2.75Å; D86-R357 IonicContact OD2-NE 3.74Å; D86-R357 IonicContact OD2-NH1 3.76Å; D86-R357 PolarHBondContact OD2-NH1 2.83Å; F336-R357 CarbonylContact C-O 3.53Å; F336-R357 VanDerWaalsContact CA-O 3.26Å; F336-R357 WeakPolarHBondContact CA-O 3.38Å; S337-R357 PolarHBondContact N-O 2.68Å; S337-R357 PolarHBondContact O-N 2.8Å; R357-Y359 HydrophobicContact CB-CD2 4.25Å; R357-Y359 HydrophobicContact CB-CE2 3.41Å; R357-Y359 VanDerWaalsContact CB-CE2 3.41Å; R357-Y359 WeakPolarHBondContact CB-OH 3.29Å; R357-Y359 WeakPolarHBondContact CD-OH 3.31Å; R357-Y359 VanDerWaalsContact O-CD2 3.22Å; R357-Y359 WeakPolarHBondContact O-CD2 3.41Å; R357-Y359 WeakPolarHBondContact O-CE2 3.41Å; R357-H422 WeakPolarHBondContact CA-ND1 3.32Å; R357-H422 HydrophobicContact CB-CB 4.27Å; R357-H422 HydrophobicContact CG-CB 4Å |
| 358 | Y | 85.7 | Confident | 69.7 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.4 | 172.2 | -178.8 | -121.7 | 0 | 0 | 0 | 112.7 | Y329 P331 D335 F336 S360 I380 R421 H422 M438 | Y329-Y358 WeakPolarHBondContact CE2-OH 3.33Å; Y329-Y358 PolarHBondContact OH-OH 2.79Å; P331-Y358 HydrophobicContact CB-CE2 4.07Å; D335-Y358 HydrophobicContact CB-CD2 4.38Å; D335-Y358 HydrophobicContact CB-CE2 4.07Å; F336-Y358 HydrophobicContact CD1-CD2 4.11Å; F336-Y358 HydrophobicContact CD2-CD2 4.02Å; F336-Y358 AromaticContact CE1-CD2 3.62Å; F336-Y358 HydrophobicContact CE1-CD2 3.62Å; F336-Y358 HydrophobicContact CE1-CG 4.07Å; F336-Y358 AromaticContact CE2-CD2 3.52Å; F336-Y358 HydrophobicContact CE2-CD2 3.52Å; F336-Y358 AromaticContact CE2-CE2 3.8Å; F336-Y358 HydrophobicContact CE2-CE2 3.8Å; F336-Y358 HydrophobicContact CG-CD2 4.3Å; F336-Y358 AromaticContact CZ-CD2 3.3Å; F336-Y358 HydrophobicContact CZ-CD2 3.3Å; F336-Y358 AromaticContact CZ-CE2 3.81Å; F336-Y358 HydrophobicContact CZ-CE2 3.81Å; F336-Y358 HydrophobicContact CZ-CG 4.12Å; Y358-S360 WeakPolarHBondContact OH-CB 3.29Å; Y358-S360 PolarHBondContact OH-OG 2.7Å; Y358-I380 HydrophobicContact CD1-CD1 4.05Å; Y358-I380 HydrophobicContact CE1-CD1 4.03Å; Y358-R421 WeakPolarHBondContact CB-O 3.38Å; Y358-H422 PolarHBondContact N-ND1 3.13Å; Y358-H422 PolarHBondContact O-CE1 3.15Å; Y358-H422 PolarHBondContact O-ND1 3.18Å; Y358-H422 VanDerWaalsContact O-ND1 3.14Å; Y358-M438 HydrophobicContact CD1-CE 4.26Å; Y358-M438 HydrophobicContact CD1-SD 3.97Å; Y358-M438 HydrophobicContact CD2-CE 4.02Å; Y358-M438 HydrophobicContact CD2-SD 4.06Å; Y358-M438 HydrophobicContact CE1-CE 4.05Å; Y358-M438 HydrophobicContact CE1-SD 4.35Å; Y358-M438 HydrophobicContact CE2-CE 3.76Å; Y358-M438 HydrophobicContact CE2-SD 4.4Å; Y358-M438 HydrophobicContact CG-CE 4.23Å; Y358-M438 HydrophobicContact CG-SD 3.8Å |
| 359 | Y | 71.7 | Confident | 67.3 | Low | 13 Ų | 13 | 46.3 Ų | 46.3 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | trans | -141.9 | 21.2 | -173.3 | -59.3 | -80.9 | 0 | 0 | 0 | 114.7 | R71 H84 D86 D335 R357 | R71-Y359 WeakPolarHBondContact CD-OH 3.45Å; H84-Y359 HydrophobicContact CB-CD1 4.09Å; H84-Y359 HydrophobicContact CB-CD2 3.64Å; H84-Y359 HydrophobicContact CB-CE1 4.36Å; H84-Y359 HydrophobicContact CB-CE2 3.9Å; H84-Y359 HydrophobicContact CB-CG 3.72Å; H84-Y359 AromaticContact CG-CD2 3.83Å; D86-Y359 HydrophobicContact CB-CE1 3.97Å; D86-Y359 WeakPolarHBondContact OD2-CE1 3.47Å; D86-Y359 PolarHBondContact OD2-OH 3.14Å; D335-Y359 PolarHBondContact O-N 3.02Å; R357-Y359 HydrophobicContact CB-CD2 4.25Å; R357-Y359 HydrophobicContact CB-CE2 3.41Å; R357-Y359 VanDerWaalsContact CB-CE2 3.41Å; R357-Y359 WeakPolarHBondContact CB-OH 3.29Å; R357-Y359 WeakPolarHBondContact CD-OH 3.31Å; R357-Y359 VanDerWaalsContact O-CD2 3.22Å; R357-Y359 WeakPolarHBondContact O-CD2 3.41Å; R357-Y359 WeakPolarHBondContact O-CE2 3.41Å | ||
| 360 | S | 64.3 | Low | 64.7 | Low | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | trans | -63.4 | 153.2 | 170.3 | 131.4 | 0 | 0 | 0 | 0 | 110.6 | Y329 Y358 E362 | Y329-S360 WeakPolarHBondContact CE2-OG 3.27Å; Y329-S360 VanDerWaalsContact CZ-OG 3.26Å; Y329-S360 PolarHBondContact OH-OG 2.72Å; Y358-S360 WeakPolarHBondContact OH-CB 3.29Å; Y358-S360 PolarHBondContact OH-OG 2.7Å; S360-E362 VanDerWaalsContact C-N 3.34Å; S360-E362 PolarHBondContact O-N 2.81Å | ||
| 361 | D | 51.1 | Low | 62.4 | Low | 39 Ų | 39 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -71.6 | 73.1 | -159.2 | 48.6 | -39.9 | 0 | 0 | 0 | 114.8 | S363 N366 | D361-S363 PolarHBondContact O-N 2.88Å; D361-N366 PolarHBondContact OD2-ND2 3.08Å |
| 362 | E | 50.3 | Low | 60.5 | Low | 45 Ų | 45 | 50.8 Ų | 50.8 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | trans | -73.7 | -5.2 | 158.2 | -65.2 | -170.2 | 151.8 | 0 | 0 | 112.8 | S360 P364 R421 | S360-E362 VanDerWaalsContact C-N 3.34Å; S360-E362 PolarHBondContact O-N 2.81Å; E362-P364 VanDerWaalsContact O-CD 3.24Å; E362-P364 WeakPolarHBondContact O-CD 3.13Å; E362-R421 WeakPolarHBondContact OE2-CD 3.28Å; E362-R421 IonicContact OE2-NE 3.17Å | ||
| 363 | S | 48.1 | Very low | 58.8 | Low | 14 Ų | 14 | 49.5 Ų | 49.5 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -61.9 | 116.8 | 169.9 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | D361 S365 | D361-S363 PolarHBondContact O-N 2.88Å; S363-S365 PolarHBondContact O-N 2.9Å |
| 364 | P | 45.6 | Very low | 57.3 | Low | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64 | -3.1 | -175 | -24 | 34.1 | 0 | 0 | 0 | 116 | M119 A201 G202 K203 L204 E362 N366 S367 | M119-P364 HydrophobicContact CB-CG 4.46Å; M119-P364 HydrophobicContact CE-CB 4.09Å; M119-P364 HydrophobicContact CE-CG 4.01Å; A201-P364 CarbonylContact O-C 3.58Å; A201-P364 WeakPolarHBondContact O-CB 3.37Å; A201-P364 VanDerWaalsContact O-CD 3.25Å; A201-P364 WeakPolarHBondContact O-CD 3.33Å; G202-P364 WeakPolarHBondContact CA-O 3.45Å; K203-P364 PolarHBondContact N-O 3.03Å; L204-P364 HydrophobicContact CD1-CB 4.32Å; L204-P364 HydrophobicContact CD1-CG 3.65Å; L204-P364 HydrophobicContact CD2-CB 4.02Å; L204-P364 HydrophobicContact CD2-CG 4.02Å; L204-P364 HydrophobicContact CG-CB 3.84Å; L204-P364 HydrophobicContact CG-CG 3.73Å; E362-P364 VanDerWaalsContact O-CD 3.24Å; E362-P364 WeakPolarHBondContact O-CD 3.13Å; P364-N366 VanDerWaalsContact C-N 3.25Å; P364-N366 PolarHBondContact O-N 2.77Å; P364-S367 WeakPolarHBondContact O-CB 3.4Å; P364-S367 PolarHBondContact O-N 3.39Å; P364-S367 VanDerWaalsContact O-N 3.12Å; P364-S367 PolarHBondContact O-OG 2.98Å |
| 365 | S | 43.6 | Very low | 56.2 | Low | 30 Ų | 30 | 47.6 Ų | 47.6 | 21% | 0.21 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -50.8 | -40.9 | -177 | -24.9 | 0 | 0 | 0 | 0 | 113.6 | E35 A201 G202 S363 S367 | E35-S365 WeakPolarHBondContact OE2-CB 3.26Å; E35-S365 PolarHBondContact OE2-OG 3.49Å; A201-S365 WeakPolarHBondContact CA-OG 3.49Å; A201-S365 PolarHBondContact O-N 3.13Å; G202-S365 VanDerWaalsContact CA-CA 3.45Å; S363-S365 PolarHBondContact O-N 2.9Å; S365-S367 VanDerWaalsContact C-N 3.33Å; S365-S367 PolarHBondContact O-N 2.74Å |
| 366 | N | 37.8 | Very low | 55.2 | Low | 48 Ų | 48 | 46.7 Ų | 46.7 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -85.9 | 2.3 | -175.1 | -77.6 | -17 | 0 | 0 | 0 | 114.3 | D361 P364 F368 V369 T370 I373 | D361-N366 PolarHBondContact OD2-ND2 3.08Å; P364-N366 VanDerWaalsContact C-N 3.25Å; P364-N366 PolarHBondContact O-N 2.77Å; N366-F368 PolarHBondContact O-N 3.33Å; N366-V369 PolarHBondContact O-N 3.24Å; N366-V369 VanDerWaalsContact O-N 3.09Å; N366-T370 PolarHBondContact O-N 2.84Å; N366-I373 HydrophobicContact CB-CD1 4.25Å |
| 367 | S | 40.7 | Very low | 54.4 | Low | 52 Ų | 52 | 49.3 Ų | 49.3 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 13.7 | -171.4 | 81.9 | 0 | 0 | 0 | 0 | 116 | K203 P364 S365 | K203-S367 PolarHBondContact O-OG 2.84Å; P364-S367 WeakPolarHBondContact O-CB 3.4Å; P364-S367 PolarHBondContact O-N 3.39Å; P364-S367 VanDerWaalsContact O-N 3.12Å; P364-S367 PolarHBondContact O-OG 2.98Å; S365-S367 VanDerWaalsContact C-N 3.33Å; S365-S367 PolarHBondContact O-N 2.74Å |
| 368 | F | 39.4 | Very low | 54.1 | Low | 136 Ų | 136 | 48.5 Ų | 48.5 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.8 | 2.8 | 174.6 | -126.3 | -89.7 | 0 | 0 | 0 | 115 | N366 | N366-F368 PolarHBondContact O-N 3.33Š|
| 369 | V | 38.1 | Very low | 53.9 | Low | 124 Ų | 124 | 55.3 Ų | 55.3 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | -20.6 | -170.5 | -170.4 | 0 | 0 | 0 | 0 | 114.4 | N366 | N366-V369 PolarHBondContact O-N 3.24Å; N366-V369 VanDerWaalsContact O-N 3.09Å |
| 370 | T | 35.1 | Very low | 54.7 | Low | 60 Ų | 60 | 55.5 Ų | 55.5 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | trans | -141.4 | 135.3 | 178.4 | 53.1 | 0 | 0 | 0 | 0 | 114 | N366 Q372 | N366-T370 PolarHBondContact O-N 2.84Å; T370-Q372 PolarHBondContact O-N 3.25Å | ||
| 371 | D | 43.2 | Very low | 55.9 | Low | 168 Ų | 168 | 56.8 Ų | 56.8 | 90% | 0.898 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 26.2 | -178.2 | -50.9 | -74.4 | 0 | 0 | 0 | 115.7 | ||
| 372 | Q | 47.2 | Very low | 57.9 | Low | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -7.9 | -170.1 | -75.2 | -173 | 85.1 | 0 | 0 | 115.5 | Y329 T370 | Y329-Q372 WeakPolarHBondContact CD1-O 3.13Å; T370-Q372 PolarHBondContact O-N 3.25Å |
| 373 | I | 52.8 | Low | 59.9 | Low | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.9 | 124.2 | 172.7 | -57.8 | -177.4 | 0 | 0 | 0 | 109.8 | N366 | N366-I373 HydrophobicContact CB-CD1 4.25Š|
| 374 | S | 54.7 | Low | 62 | Low | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -68.9 | 130.3 | 174 | -73.2 | 0 | 0 | 0 | 0 | 110.6 | A327 L328 Y329 P376 T377 | A327-S374 WeakPolarHBondContact O-CA 3.09Å; A327-S374 WeakPolarHBondContact O-CB 3.34Å; L328-S374 WeakPolarHBondContact CA-OG 3.16Å; Y329-S374 WeakPolarHBondContact CD1-OG 3.42Å; Y329-S374 WeakPolarHBondContact CE1-OG 3.31Å; Y329-S374 PolarHBondContact N-OG 2.86Å; S374-P376 CarbonylContact C-O 3.59Å; S374-P376 CarbonylContact O-C 3.51Å; S374-T377 PolarHBondContact O-N 2.93Å | ||
| 375 | N | 66.6 | Low | 63.4 | Low | 37 Ų | 37 | 60.2 Ų | 60.2 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -124.2 | 123.9 | 177.2 | -157.9 | 19.2 | 0 | 0 | 0 | 109.7 | F234 E324 A326 A327 | F234-N375 WeakPolarHBondContact CE1-OD1 3.32Å; E324-N375 WeakPolarHBondContact CB-ND2 3.42Å; E324-N375 PolarHBondContact OE2-ND2 2.7Å; A326-N375 WeakPolarHBondContact CA-O 3.45Å; A327-N375 PolarHBondContact N-O 2.87Å; A327-N375 PolarHBondContact O-N 3.43Å; A327-N375 VanDerWaalsContact O-N 3.14Å |
| 376 | P | 68.7 | Low | 65.1 | Low | 24 Ų | 24 | 66.4 Ų | 66.4 | 16% | 0.156 | 35% | 0.345 | C | S | . | . | S | Bend | cis | -67.6 | 162.2 | -6.1 | 29.9 | -29 | 0 | 0 | 0 | 111.1 | F234 S374 N442 T443 | F234-P376 HydrophobicContact CB-CG 4.25Å; F234-P376 HydrophobicContact CD1-CB 4Å; F234-P376 HydrophobicContact CD1-CG 4.18Å; F234-P376 HydrophobicContact CD2-CB 3.94Å; F234-P376 HydrophobicContact CD2-CG 3.83Å; F234-P376 HydrophobicContact CE1-CB 3.89Å; F234-P376 HydrophobicContact CE2-CB 3.84Å; F234-P376 HydrophobicContact CE2-CG 4.23Å; F234-P376 HydrophobicContact CG-CB 4.02Å; F234-P376 HydrophobicContact CG-CG 3.81Å; F234-P376 HydrophobicContact CZ-CB 3.82Å; S374-P376 CarbonylContact C-O 3.59Å; S374-P376 CarbonylContact O-C 3.51Å; P376-N442 HydrophobicContact CG-CB 4.12Å; P376-N442 PolarHBondContact O-ND2 3.38Å; P376-T443 WeakPolarHBondContact CD-OG1 3.48Å; P376-T443 HydrophobicContact CG-CG2 4.27Å |
| 377 | T | 71.6 | Confident | 67.2 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 125.2 | 175.1 | -50 | 0 | 0 | 0 | 0 | 109.8 | P121 S374 | P121-T377 HydrophobicContact CB-CG2 4.45Å; S374-T377 PolarHBondContact O-N 2.93Å |
| 378 | P | 79.4 | Confident | 68.9 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 5% | 0.045 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 136.5 | -167.3 | 30 | -32.5 | 0 | 0 | 0 | 111.1 | L328 I380 L440 N442 | L328-P378 HydrophobicContact CD1-CB 4Å; P378-I380 PolarHBondContact O-N 3.37Å; P378-L440 HydrophobicContact CB-CB 4.07Å; P378-L440 HydrophobicContact CB-CD2 4.49Å; P378-L440 HydrophobicContact CG-CD1 4.45Å; P378-L440 HydrophobicContact CG-CD2 4.3Å; P378-N442 HydrophobicContact CB-CB 4.35Å |
| 379 | K | 82.7 | Confident | 71 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117.7 | 169.9 | -177.3 | 177.8 | -179.9 | 177.4 | 0 | 108.8 | I381 T441 | K379-I381 HydrophobicContact CD-CD1 4.18Å; K379-I381 HydrophobicContact CD-CG1 4.35Å; K379-I381 HydrophobicContact CG-CD1 4.35Å; K379-I381 HydrophobicContact CG-CG1 4.03Å; K379-T441 PolarHBondContact N-O 3.07Å; K379-T441 PolarHBondContact O-N 3.41Å; K379-T441 PolarHBondContact O-OG1 2.84Å |
| 380 | I | 87.6 | Confident | 73.4 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.1 | 176 | -44.7 | -180 | 0 | 0 | 0 | 108.9 | Y358 P378 G420 R421 M438 I439 L440 | Y358-I380 HydrophobicContact CD1-CD1 4.05Å; Y358-I380 HydrophobicContact CE1-CD1 4.03Å; P378-I380 PolarHBondContact O-N 3.37Å; I380-G420 VanDerWaalsContact CG2-O 3.31Å; I380-G420 WeakPolarHBondContact CG2-O 3.47Å; I380-R421 HydrophobicContact CD1-CB 4.43Å; I380-R421 HydrophobicContact CD1-CG 3.59Å; I380-M438 HydrophobicContact CG2-CG 3.77Å; I380-M438 HydrophobicContact CG2-SD 3.91Å; I380-I439 CarbonylContact C-O 3.49Å; I380-I439 WeakPolarHBondContact CA-O 3.34Å; I380-L440 HydrophobicContact CB-CD2 4.26Å; I380-L440 HydrophobicContact CD1-CD2 4.41Å; I380-L440 HydrophobicContact CG1-CD2 3.72Å; I380-L440 HydrophobicContact CG2-CD2 4.15Å |
| 381 | I | 90.4 | Very high | 76.1 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 21% | 0.205 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 122.1 | 177.6 | -42.9 | 178.3 | 0 | 0 | 0 | 109.2 | K379 H383 I439 | K379-I381 HydrophobicContact CD-CD1 4.18Å; K379-I381 HydrophobicContact CD-CG1 4.35Å; K379-I381 HydrophobicContact CG-CD1 4.35Å; K379-I381 HydrophobicContact CG-CG1 4.03Å; I381-H383 WeakPolarHBondContact CG2-CE1 3.49Å; I381-I439 PolarHBondContact N-O 2.92Å; I381-I439 WeakPolarHBondContact O-CB 3.35Å; I381-I439 PolarHBondContact O-N 2.94Å |
| 382 | W | 93.4 | Very high | 78.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.9 | 174.2 | -75.2 | 89.6 | 0 | 0 | 0 | 110.9 | F336 L356 S390 I391 A417 G420 R421 L423 M438 F451 | F336-W382 AromaticContact CE1-CH2 3.92Å; F336-W382 HydrophobicContact CE1-CH2 3.92Å; F336-W382 HydrophobicContact CE1-CZ2 4.05Å; L356-W382 HydrophobicContact CD2-CH2 3.74Å; L356-W382 HydrophobicContact CD2-CZ3 4.1Å; L356-W382 HydrophobicContact CG-CH2 4.1Å; W382-S390 WeakPolarHBondContact O-CA 3.49Å; W382-I391 HydrophobicContact CB-CB 4.04Å; W382-I391 HydrophobicContact CB-CD1 4.26Å; W382-I391 PolarHBondContact O-N 3.07Å; W382-A417 HydrophobicContact CB-CB 4.5Å; W382-A417 HydrophobicContact CG-CB 4.32Å; W382-G420 VanDerWaalsContact CD1-O 3.25Å; W382-G420 PolarHBondContact NE1-O 2.75Å; W382-R421 PolarHBondContact NE1-O 3.07Å; W382-L423 HydrophobicContact CD2-CB 3.81Å; W382-L423 HydrophobicContact CE3-CB 3.85Å; W382-L423 HydrophobicContact CE3-CD2 3.8Å; W382-L423 HydrophobicContact CE3-CG 4.31Å; W382-L423 HydrophobicContact CG-CB 4.46Å; W382-L423 HydrophobicContact CH2-CB 3.92Å; W382-L423 HydrophobicContact CH2-CD2 4.46Å; W382-L423 HydrophobicContact CZ2-CB 3.88Å; W382-L423 HydrophobicContact CZ3-CB 3.9Å; W382-L423 HydrophobicContact CZ3-CD2 3.76Å; W382-L423 HydrophobicContact CZ3-CG 4.46Å; W382-M438 HydrophobicContact CD2-CB 3.94Å; W382-M438 HydrophobicContact CD2-CG 3.96Å; W382-M438 HydrophobicContact CE3-CB 3.88Å; W382-M438 HydrophobicContact CE3-CG 4.42Å; W382-M438 HydrophobicContact CG-CG 4.46Å; W382-M438 HydrophobicContact CH2-CB 3.82Å; W382-M438 HydrophobicContact CH2-CG 4.26Å; W382-M438 HydrophobicContact CH2-SD 4.42Å; W382-M438 HydrophobicContact CZ2-CB 3.85Å; W382-M438 HydrophobicContact CZ2-CG 3.75Å; W382-M438 HydrophobicContact CZ2-SD 3.73Å; W382-M438 HydrophobicContact CZ3-CB 3.83Å; W382-F451 HydrophobicContact CH2-CD2 4.35Å; W382-F451 HydrophobicContact CH2-CE2 4.41Å; W382-F451 HydrophobicContact CZ3-CD2 4.34Å |
| 383 | H | 91 | Very high | 80 | Confident | 47 Ų | 47 | 65 Ų | 65 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.8 | 169.4 | -62 | 79.4 | 0 | 0 | 0 | 109.3 | I381 Y436 E437 I439 | I381-H383 WeakPolarHBondContact CG2-CE1 3.49Å; H383-Y436 CarbonylContact O-C 3.57Å; H383-Y436 WeakPolarHBondContact O-CA 3.43Å; H383-E437 PolarHBondContact N-O 3.05Å; H383-E437 PolarHBondContact O-N 3.01Å; H383-I439 WeakPolarHBondContact ND1-CD1 3.4Å |
| 384 | K | 91.4 | Very high | 81.3 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.8 | 155.9 | -175 | 174.7 | 161.9 | -159 | 0 | 106.7 | E387 L431 Y436 | K384-E387 HydrophobicContact CB-CB 4.37Å; K384-E387 VanDerWaalsContact CD-OE1 3.32Å; K384-E387 WeakPolarHBondContact CD-OE1 3.45Å; K384-E387 WeakPolarHBondContact CE-OE1 3.06Å; K384-E387 IonicContact NZ-OE1 3.66Å; K384-E387 PolarHBondContact NZ-OE1 3.29Å; K384-E387 PolarHBondContact O-N 2.55Å; K384-L431 PolarHBondContact NZ-O 2.92Å; K384-Y436 HydrophobicContact CB-CD1 3.97Å; K384-Y436 HydrophobicContact CB-CE1 3.8Å; K384-Y436 HydrophobicContact CD-CE1 4.09Å; K384-Y436 HydrophobicContact CD-CE2 4.23Å; K384-Y436 HydrophobicContact CG-CD1 4.35Å; K384-Y436 HydrophobicContact CG-CD2 4.48Å; K384-Y436 HydrophobicContact CG-CE1 4.02Å; K384-Y436 HydrophobicContact CG-CE2 4.13Å |
| 385 | K | 77 | Confident | 82.3 | Confident | 100 Ų | 100 | 67 Ų | 67 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 156.4 | 173 | -97.1 | -176.6 | 170.7 | -177.5 | 0 | 109.8 | E387 S435 | K385-E387 PolarHBondContact O-N 3.23Å; K385-S435 WeakPolarHBondContact CB-O 3.45Å; K385-S435 PolarHBondContact N-O 3.44Å |
| 386 | D | 77.3 | Confident | 82.7 | Confident | 160 Ų | 160 | 68.6 Ų | 68.6 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -25.2 | -171.5 | -44.6 | -39.1 | 0 | 0 | 0 | 114.5 | H388 | D386-H388 PolarHBondContact O-ND1 3.18Š|
| 387 | E | 83.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | trans | -85.7 | 132.9 | 172.4 | -68.8 | 176.3 | -160.2 | 0 | 0 | 112.2 | K384 K385 | K384-E387 HydrophobicContact CB-CB 4.37Å; K384-E387 VanDerWaalsContact CD-OE1 3.32Å; K384-E387 WeakPolarHBondContact CD-OE1 3.45Å; K384-E387 WeakPolarHBondContact CE-OE1 3.06Å; K384-E387 IonicContact NZ-OE1 3.66Å; K384-E387 PolarHBondContact NZ-OE1 3.29Å; K384-E387 PolarHBondContact O-N 2.55Å; K385-E387 PolarHBondContact O-N 3.23Å | ||
| 388 | H | 76.1 | Confident | 81.8 | Confident | 187 Ų | 187 | 74.7 Ų | 74.7 | 87% | 0.866 | 40% | 0.398 | S | S | * | . | trans | -86.6 | -8.1 | -175.1 | -73.3 | 45.4 | 0 | 0 | 0 | 114.2 | D386 | D386-H388 PolarHBondContact O-ND1 3.18Š| ||
| 389 | Q | 83.6 | Confident | 80.1 | Confident | 162 Ų | 162 | 78.8 Ų | 78.8 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -100.4 | 139.2 | -179.3 | -65.2 | -174.8 | 0.9 | 0 | 0 | 110.2 | ||
| 390 | S | 87.3 | Confident | 78.2 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 143.7 | 169.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | W382 | W382-S390 WeakPolarHBondContact O-CA 3.49Å |
| 391 | I | 92 | Very high | 76.2 | Confident | 14 Ų | 14 | 81.6 Ų | 81.6 | 7% | 0.072 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 127.5 | 175.4 | -69.9 | 173.4 | 0 | 0 | 0 | 108.4 | W382 I415 Y416 A417 L423 Y436 | W382-I391 HydrophobicContact CB-CB 4.04Å; W382-I391 HydrophobicContact CB-CD1 4.26Å; W382-I391 PolarHBondContact O-N 3.07Å; I391-I415 HydrophobicContact CD1-CG2 3.95Å; I391-I415 HydrophobicContact CG1-CG2 4.15Å; I391-I415 HydrophobicContact CG2-CG2 3.9Å; I391-Y416 VanDerWaalsContact CG2-CA 3.5Å; I391-A417 HydrophobicContact CG2-CB 4.46Å; I391-L423 HydrophobicContact CD1-CD1 3.72Å; I391-L423 HydrophobicContact CG2-CD1 4.24Å; I391-Y436 HydrophobicContact CD1-CD1 3.74Å; I391-Y436 HydrophobicContact CD1-CE1 3.77Å |
| 392 | P | 88.5 | Confident | 73.7 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 143.7 | -171.8 | 26.4 | -35.4 | 0 | 0 | 0 | 111.7 | P413 Y416 A417 | P392-P413 HydrophobicContact CG-CB 4.35Å; P392-P413 HydrophobicContact CG-CG 4.22Å; P392-Y416 CarbonylContact O-C 3.46Å; P392-Y416 WeakPolarHBondContact O-CA 3.32Å; P392-Y416 VanDerWaalsContact O-CB 3.3Å; P392-Y416 WeakPolarHBondContact O-CB 3.37Å; P392-A417 PolarHBondContact O-N 3.05Å |
| 393 | T | 84.7 | Confident | 71.1 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 33% | 0.325 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 141.9 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | A417 | T393-A417 WeakPolarHBondContact CA-O 3.37Å; T393-A417 HydrophobicContact CG2-CB 4.37Å |
| 394 | W | 80.8 | Confident | 68.7 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 18% | 0.178 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.1 | 177.6 | -167.2 | -91.8 | 0 | 0 | 0 | 112.3 | P396 G410 R412 Y416 A417 L418 R419 | W394-P396 HydrophobicContact CE3-CG 4.24Å; W394-P396 HydrophobicContact CZ3-CG 4.12Å; W394-G410 WeakPolarHBondContact CH2-O 3.44Å; W394-R412 HydrophobicContact CD2-CG 4.38Å; W394-R412 HydrophobicContact CG-CG 4.39Å; W394-Y416 HydrophobicContact CB-CD2 3.62Å; W394-Y416 HydrophobicContact CB-CE2 4.4Å; W394-Y416 HydrophobicContact CB-CG 4.01Å; W394-Y416 HydrophobicContact CG-CD2 4.47Å; W394-A417 PolarHBondContact N-O 3.16Å; W394-L418 CarbonylContact O-C 3.54Å; W394-L418 WeakPolarHBondContact O-CA 3.13Å; W394-R419 PolarHBondContact O-N 3.35Å |
| 395 | P | 74.7 | Confident | 66.8 | Low | 53 Ų | 53 | 101.4 Ų | 101.4 | 34% | 0.344 | 57% | 0.571 | S | S | . | * | S | Bend | cis | -59.5 | 159 | -11.5 | 28.9 | -36.1 | 0 | 0 | 0 | 111.3 | L408 | P395-L408 HydrophobicContact CB-CD1 4.12Å; P395-L408 HydrophobicContact CB-CD2 4.36Å |
| 396 | P | 74.5 | Confident | 65.5 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -58 | 145.7 | 175 | -22.3 | 34.1 | 0 | 0 | 0 | 110.8 | W394 S398 | W394-P396 HydrophobicContact CE3-CG 4.24Å; W394-P396 HydrophobicContact CZ3-CG 4.12Å; P396-S398 PolarHBondContact O-N 3.36Å |
| 397 | P | 65 | Low | 64.1 | Low | 102 Ų | 102 | 100.2 Ų | 100.2 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.2 | 176.1 | 26.1 | -33.8 | 0 | 0 | 0 | 110.2 | S399 | P397-S399 PolarHBondContact O-N 2.93Š|
| 398 | S | 57 | Low | 62.7 | Low | 106 Ų | 106 | 100 Ų | 100 | 74% | 0.741 | 57% | 0.567 | S | S | * | * | trans | -69.8 | 91.1 | -176 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | P396 S400 | P396-S398 PolarHBondContact O-N 3.36Å; S398-S400 PolarHBondContact O-N 3.42Å | ||
| 399 | S | 44 | Very low | 61.5 | Low | 92 Ų | 92 | 97.9 Ų | 97.9 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | trans | -61.2 | 113.8 | 171.3 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | P397 V403 | P397-S399 PolarHBondContact O-N 2.93Å; S399-V403 WeakPolarHBondContact O-CG2 3.26Å | ||
| 400 | S | 41.8 | Very low | 60.4 | Low | 92 Ų | 92 | 91.9 Ų | 91.9 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 49.5 | 86.8 | 170.1 | 54.7 | 0 | 0 | 0 | 0 | 117.1 | S398 I402 | S398-S400 PolarHBondContact O-N 3.42Å; S400-I402 VanDerWaalsContact C-N 3.27Å; S400-I402 PolarHBondContact O-N 2.82Å |
| 401 | S | 46.4 | Very low | 59.6 | Low | 128 Ų | 128 | 94.8 Ų | 94.8 | 90% | 0.895 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 56.4 | -31 | 145.1 | -45.9 | 0 | 0 | 0 | 0 | 122.1 | ||
| 402 | I | 37 | Very low | 59 | Low | 160 Ų | 160 | 99.7 Ų | 99.7 | 82% | 0.821 | 58% | 0.579 | S | S | * | * | trans | -137.6 | 75 | -177.8 | -48.1 | 179.7 | 0 | 0 | 0 | 109.3 | S400 | S400-I402 VanDerWaalsContact C-N 3.27Å; S400-I402 PolarHBondContact O-N 2.82Å | ||
| 403 | V | 40.5 | Very low | 58.9 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | -117.2 | 107.7 | 167.5 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | S399 E405 | S399-V403 WeakPolarHBondContact O-CG2 3.26Å; V403-E405 PolarHBondContact O-N 2.85Å | ||
| 404 | D | 40.7 | Very low | 59.2 | Low | 110 Ų | 110 | 100.7 Ų | 100.7 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -57.4 | 127 | 176.4 | -174.2 | 29.4 | 0 | 0 | 0 | 110.9 | S406 K407 | D404-S406 VanDerWaalsContact CG-OG 3.24Å; D404-S406 PolarHBondContact O-N 2.92Å; D404-S406 VanDerWaalsContact OD2-CB 3.3Å; D404-S406 WeakPolarHBondContact OD2-CB 3.33Å; D404-S406 PolarHBondContact OD2-OG 3.41Å; D404-K407 PolarHBondContact O-N 3.32Å | ||
| 405 | E | 51.2 | Low | 59.7 | Low | 171 Ų | 171 | 100.2 Ų | 100.2 | 80% | 0.799 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -61.8 | -17.4 | -174.7 | -67.3 | -169 | 142.4 | 0 | 0 | 112.4 | V403 K407 L408 | V403-E405 PolarHBondContact O-N 2.85Å; E405-K407 PolarHBondContact O-N 3.05Å; E405-K407 VanDerWaalsContact O-N 3.09Å; E405-L408 WeakPolarHBondContact O-CB 3.4Å; E405-L408 PolarHBondContact O-N 3.19Å |
| 406 | S | 48.6 | Very low | 60.5 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -53.2 | -25 | 168.9 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | D404 N409 | D404-S406 VanDerWaalsContact CG-OG 3.24Å; D404-S406 PolarHBondContact O-N 2.92Å; D404-S406 VanDerWaalsContact OD2-CB 3.3Å; D404-S406 WeakPolarHBondContact OD2-CB 3.33Å; D404-S406 PolarHBondContact OD2-OG 3.41Å; S406-N409 PolarHBondContact O-ND2 3.39Å |
| 407 | K | 48.6 | Very low | 61.3 | Low | 171 Ų | 171 | 94.6 Ų | 94.6 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -87.5 | -0.4 | 177.5 | -71.2 | -174.4 | 178.2 | 176.3 | 0 | 114.5 | D404 E405 N409 | D404-K407 PolarHBondContact O-N 3.32Å; E405-K407 PolarHBondContact O-N 3.05Å; E405-K407 VanDerWaalsContact O-N 3.09Å; K407-N409 PolarHBondContact O-N 2.87Å |
| 408 | L | 52.9 | Low | 62.1 | Low | 94 Ų | 94 | 90.1 Ų | 90.1 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -71.6 | -6.7 | 173.2 | -141.1 | 77.2 | 0 | 0 | 0 | 113.2 | P395 E405 G410 | P395-L408 HydrophobicContact CB-CD1 4.12Å; P395-L408 HydrophobicContact CB-CD2 4.36Å; E405-L408 WeakPolarHBondContact O-CB 3.4Å; E405-L408 PolarHBondContact O-N 3.19Å; L408-G410 PolarHBondContact O-N 2.79Å |
| 409 | N | 51.6 | Low | 63 | Low | 143 Ų | 143 | 90.4 Ų | 90.4 | 77% | 0.765 | 49% | 0.493 | S | S | * | . | trans | -69.2 | 25.7 | -179.7 | -72.8 | -54.6 | 0 | 0 | 0 | 115.6 | S406 K407 | S406-N409 PolarHBondContact O-ND2 3.39Å; K407-N409 PolarHBondContact O-N 2.87Å | ||
| 410 | G | 61.6 | Low | 64.8 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -74.5 | 144.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W394 L408 R412 | W394-G410 WeakPolarHBondContact CH2-O 3.44Å; L408-G410 PolarHBondContact O-N 2.79Å; G410-R412 PolarHBondContact O-N 3.24Å |
| 411 | P | 69.8 | Low | 66.7 | Low | 126 Ų | 126 | 83 Ų | 83 | 82% | 0.818 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 124.7 | 175.6 | 26.6 | -33.4 | 0 | 0 | 0 | 110.1 | ||
| 412 | R | 79.9 | Confident | 68.7 | Low | 118 Ų | 118 | 77 Ų | 77 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 128.8 | 176.8 | -166.8 | -168.1 | -145.1 | 174.4 | 11.6 | 109.7 | W394 G410 Y416 H426 | W394-R412 HydrophobicContact CD2-CG 4.38Å; W394-R412 HydrophobicContact CG-CG 4.39Å; G410-R412 PolarHBondContact O-N 3.24Å; R412-Y416 HydrophobicContact CG-CD1 4.21Å; R412-Y416 HydrophobicContact CG-CE1 4Å; R412-Y416 VanDerWaalsContact CZ-CZ 3.48Å; R412-Y416 VanDerWaalsContact NE-CZ 3.25Å; R412-Y416 PolarHBondContact NE-OH 3.38Å; R412-Y416 PolarHBondContact NH1-OH 3.38Å; R412-Y416 PolarHBondContact NH2-OH 3.18Å; R412-H426 PolarHBondContact NH1-CE1 3.06Å; R412-H426 PolarHBondContact NH1-NE2 3.24Å |
| 413 | P | 85.4 | Confident | 71.4 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 157.3 | 173.2 | -24.4 | 34.3 | 0 | 0 | 0 | 112.1 | P392 I415 Y416 | P392-P413 HydrophobicContact CG-CB 4.35Å; P392-P413 HydrophobicContact CG-CG 4.22Å; P413-I415 WeakPolarHBondContact CB-O 3.28Å; P413-Y416 WeakPolarHBondContact O-CD1 3.36Å |
| 414 | R | 90.5 | Very high | 73.8 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 37% | 0.366 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -71.9 | -34.8 | 173.4 | -167.3 | -178.8 | 69.3 | 83.4 | 0.8 | 112.4 | I425 H426 S427 D432 | R414-I425 WeakPolarHBondContact O-CA 3.14Å; R414-H426 VanDerWaalsContact CD-O 3.28Å; R414-H426 WeakPolarHBondContact CD-O 3.05Å; R414-H426 HydrophobicContact CG-CB 4.08Å; R414-H426 WeakPolarHBondContact CG-O 3.38Å; R414-H426 PolarHBondContact NH1-O 2.87Å; R414-H426 PolarHBondContact O-N 2.89Å; R414-S427 PolarHBondContact NH1-O 3.4Å; R414-D432 IonicContact CZ-OD1 2.96Å; R414-D432 IonicContact CZ-OD2 2.79Å; R414-D432 IonicContact NH1-OD1 2.75Å; R414-D432 IonicContact NH1-OD2 3.9Å; R414-D432 PolarHBondContact NH1-OD2 2.94Å; R414-D432 VanDerWaalsContact NH2-CG 3.29Å; R414-D432 IonicContact NH2-OD1 2.69Å; R414-D432 PolarHBondContact NH2-OD1 3.42Å; R414-D432 IonicContact NH2-OD2 2.69Å; R414-D432 PolarHBondContact NH2-OD2 3.26Å |
| 415 | I | 92.4 | Very high | 76.3 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.6 | 175.6 | -49.8 | -174.2 | 0 | 0 | 0 | 108.1 | I391 P413 L423 V424 I425 D432 | I391-I415 HydrophobicContact CD1-CG2 3.95Å; I391-I415 HydrophobicContact CG1-CG2 4.15Å; I391-I415 HydrophobicContact CG2-CG2 3.9Å; P413-I415 WeakPolarHBondContact CB-O 3.28Å; I415-L423 HydrophobicContact CG2-CD1 4.3Å; I415-V424 WeakPolarHBondContact CA-O 3.19Å; I415-I425 HydrophobicContact CG1-CG2 4.17Å; I415-I425 HydrophobicContact CG2-CG1 4.25Å; I415-D432 WeakPolarHBondContact CD1-OD1 3.41Å |
| 416 | Y | 92 | Very high | 78.2 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.2 | 179.1 | 61.5 | -85.3 | 0 | 0 | 0 | 111.4 | I391 P392 W394 R412 P413 L418 V424 H426 | I391-Y416 VanDerWaalsContact CG2-CA 3.5Å; P392-Y416 CarbonylContact O-C 3.46Å; P392-Y416 WeakPolarHBondContact O-CA 3.32Å; P392-Y416 VanDerWaalsContact O-CB 3.3Å; P392-Y416 WeakPolarHBondContact O-CB 3.37Å; W394-Y416 HydrophobicContact CB-CD2 3.62Å; W394-Y416 HydrophobicContact CB-CE2 4.4Å; W394-Y416 HydrophobicContact CB-CG 4.01Å; W394-Y416 HydrophobicContact CG-CD2 4.47Å; R412-Y416 HydrophobicContact CG-CD1 4.21Å; R412-Y416 HydrophobicContact CG-CE1 4Å; R412-Y416 VanDerWaalsContact CZ-CZ 3.48Å; R412-Y416 VanDerWaalsContact NE-CZ 3.25Å; R412-Y416 PolarHBondContact NE-OH 3.38Å; R412-Y416 PolarHBondContact NH1-OH 3.38Å; R412-Y416 PolarHBondContact NH2-OH 3.18Å; P413-Y416 WeakPolarHBondContact O-CD1 3.36Å; Y416-L418 HydrophobicContact CD2-CB 4.45Å; Y416-L418 HydrophobicContact CE2-CB 4.03Å; Y416-L418 HydrophobicContact CE2-CD1 4.32Å; Y416-V424 HydrophobicContact CE1-CB 4.13Å; Y416-V424 HydrophobicContact CE1-CG1 4.32Å; Y416-V424 HydrophobicContact CE2-CB 3.87Å; Y416-V424 HydrophobicContact CE2-CG2 4.03Å; Y416-V424 PolarHBondContact N-O 3.28Å; Y416-V424 VanDerWaalsContact N-O 3.1Å; Y416-V424 PolarHBondContact O-N 3.13Å; Y416-V424 WeakPolarHBondContact OH-CB 3.37Å; Y416-V424 VanDerWaalsContact OH-CG1 3.29Å; Y416-V424 WeakPolarHBondContact OH-CG1 3.36Å; Y416-H426 AromaticContact CE1-CE1 4Å; Y416-H426 PolarHBondContact OH-CE1 2.97Å |
| 417 | A | 90.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 107.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W382 I391 P392 T393 W394 R419 G420 H422 | W382-A417 HydrophobicContact CB-CB 4.5Å; W382-A417 HydrophobicContact CG-CB 4.32Å; I391-A417 HydrophobicContact CG2-CB 4.46Å; P392-A417 PolarHBondContact O-N 3.05Å; T393-A417 WeakPolarHBondContact CA-O 3.37Å; T393-A417 HydrophobicContact CG2-CB 4.37Å; W394-A417 PolarHBondContact N-O 3.16Å; A417-R419 PolarHBondContact O-N 2.72Å; A417-G420 PolarHBondContact O-N 2.89Å; A417-H422 CarbonylContact C-O 3.54Å; A417-H422 WeakPolarHBondContact CA-O 3.16Å |
| 418 | L | 83.1 | Confident | 82.2 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 115.8 | -179.4 | -172.6 | 58.6 | 0 | 0 | 0 | 110.2 | W394 Y416 G420 R421 H422 V424 | W394-L418 CarbonylContact O-C 3.54Å; W394-L418 WeakPolarHBondContact O-CA 3.13Å; Y416-L418 HydrophobicContact CD2-CB 4.45Å; Y416-L418 HydrophobicContact CE2-CB 4.03Å; Y416-L418 HydrophobicContact CE2-CD1 4.32Å; L418-G420 PolarHBondContact O-N 2.86Å; L418-G420 VanDerWaalsContact O-N 3.11Å; L418-R421 PolarHBondContact O-N 3.21Å; L418-H422 HydrophobicContact CB-CB 4.21Å; L418-H422 PolarHBondContact N-O 2.88Å; L418-H422 PolarHBondContact O-N 3.05Å; L418-H422 VanDerWaalsContact O-N 3.16Å; L418-V424 HydrophobicContact CB-CG2 4.38Å |
| 419 | R | 75.9 | Confident | 84.1 | Confident | 112 Ų | 112 | 44 Ų | 44 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 29.1 | -166.4 | -58.3 | -167 | -173.3 | 80.3 | 11.5 | 113.7 | E88 W394 A417 R421 | E88-R419 IonicContact OE1-CZ 3.79Å; E88-R419 IonicContact OE1-NH1 3.65Å; E88-R419 PolarHBondContact OE1-NH1 2.92Å; E88-R419 IonicContact OE1-NH2 2.78Å; E88-R419 PolarHBondContact OE1-NH2 2.8Å; W394-R419 PolarHBondContact O-N 3.35Å; A417-R419 PolarHBondContact O-N 2.72Å; R419-R421 PolarHBondContact O-N 3.04Å |
| 420 | G | 80.5 | Confident | 85.9 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -24.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I380 W382 A417 L418 | I380-G420 VanDerWaalsContact CG2-O 3.31Å; I380-G420 WeakPolarHBondContact CG2-O 3.47Å; W382-G420 VanDerWaalsContact CD1-O 3.25Å; W382-G420 PolarHBondContact NE1-O 2.75Å; A417-G420 PolarHBondContact O-N 2.89Å; L418-G420 PolarHBondContact O-N 2.86Å; L418-G420 VanDerWaalsContact O-N 3.11Å |
| 421 | R | 82.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -57.5 | -177.7 | -75.1 | -165.8 | -86.3 | 137.1 | -14.6 | 113.4 | E36 Y358 E362 I380 W382 L418 R419 | E36-R421 IonicContact OE1-CZ 2.69Å; E36-R421 VanDerWaalsContact OE1-CZ 3.3Å; E36-R421 IonicContact OE1-NH1 3.49Å; E36-R421 PolarHBondContact OE1-NH1 3.39Å; E36-R421 IonicContact OE1-NH2 3.51Å; E36-R421 PolarHBondContact OE1-NH2 2.79Å; E36-R421 IonicContact OE2-NH2 3.12Å; Y358-R421 WeakPolarHBondContact CB-O 3.38Å; E362-R421 WeakPolarHBondContact OE2-CD 3.28Å; E362-R421 IonicContact OE2-NE 3.17Å; I380-R421 HydrophobicContact CD1-CB 4.43Å; I380-R421 HydrophobicContact CD1-CG 3.59Å; W382-R421 PolarHBondContact NE1-O 3.07Å; L418-R421 PolarHBondContact O-N 3.21Å; R419-R421 PolarHBondContact O-N 3.04Å |
| 422 | H | 87.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.2 | -167.3 | -39.7 | -61.8 | 0 | 0 | 0 | 112 | R357 Y358 A417 L418 | R357-H422 WeakPolarHBondContact CA-ND1 3.32Å; R357-H422 HydrophobicContact CB-CB 4.27Å; R357-H422 HydrophobicContact CG-CB 4Å; Y358-H422 PolarHBondContact N-ND1 3.13Å; Y358-H422 PolarHBondContact O-CE1 3.15Å; Y358-H422 PolarHBondContact O-ND1 3.18Å; Y358-H422 VanDerWaalsContact O-ND1 3.14Å; A417-H422 CarbonylContact C-O 3.54Å; A417-H422 WeakPolarHBondContact CA-O 3.16Å; L418-H422 HydrophobicContact CB-CB 4.21Å; L418-H422 PolarHBondContact N-O 2.88Å; L418-H422 PolarHBondContact O-N 3.05Å; L418-H422 VanDerWaalsContact O-N 3.16Å |
| 423 | L | 93.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128 | 172 | 172.6 | 63.4 | 0 | 0 | 0 | 109.8 | L356 W382 I391 I415 I425 Y436 I453 | L356-L423 HydrophobicContact CB-CB 4.38Å; L356-L423 PolarHBondContact N-O 3.4Å; L356-L423 PolarHBondContact O-N 3.15Å; W382-L423 HydrophobicContact CD2-CB 3.81Å; W382-L423 HydrophobicContact CE3-CB 3.85Å; W382-L423 HydrophobicContact CE3-CD2 3.8Å; W382-L423 HydrophobicContact CE3-CG 4.31Å; W382-L423 HydrophobicContact CG-CB 4.46Å; W382-L423 HydrophobicContact CH2-CB 3.92Å; W382-L423 HydrophobicContact CH2-CD2 4.46Å; W382-L423 HydrophobicContact CZ2-CB 3.88Å; W382-L423 HydrophobicContact CZ3-CB 3.9Å; W382-L423 HydrophobicContact CZ3-CD2 3.76Å; W382-L423 HydrophobicContact CZ3-CG 4.46Å; I391-L423 HydrophobicContact CD1-CD1 3.72Å; I391-L423 HydrophobicContact CG2-CD1 4.24Å; I415-L423 HydrophobicContact CG2-CD1 4.3Å; L423-I425 HydrophobicContact CD1-CG1 4.48Å; L423-Y436 HydrophobicContact CD1-CD1 4.44Å; L423-Y436 HydrophobicContact CD2-CD1 3.58Å; L423-Y436 HydrophobicContact CD2-CE1 4.17Å; L423-Y436 HydrophobicContact CD2-CG 3.93Å; L423-I453 HydrophobicContact CD2-CD1 3.97Å |
| 424 | V | 91.5 | Very high | 89 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.2 | 174.4 | -168.5 | 0 | 0 | 0 | 0 | 110.8 | A354 I415 Y416 L418 | A354-V424 WeakPolarHBondContact O-CA 3.22Å; I415-V424 WeakPolarHBondContact CA-O 3.19Å; Y416-V424 HydrophobicContact CE1-CB 4.13Å; Y416-V424 HydrophobicContact CE1-CG1 4.32Å; Y416-V424 HydrophobicContact CE2-CB 3.87Å; Y416-V424 HydrophobicContact CE2-CG2 4.03Å; Y416-V424 PolarHBondContact N-O 3.28Å; Y416-V424 VanDerWaalsContact N-O 3.1Å; Y416-V424 PolarHBondContact O-N 3.13Å; Y416-V424 WeakPolarHBondContact OH-CB 3.37Å; Y416-V424 VanDerWaalsContact OH-CG1 3.29Å; Y416-V424 WeakPolarHBondContact OH-CG1 3.36Å; L418-V424 HydrophobicContact CB-CG2 4.38Å |
| 425 | I | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 110.6 | 174.5 | -51.8 | 175.5 | 0 | 0 | 0 | 106.5 | D353 A354 R414 I415 L423 V428 D432 Y436 I453 | D353-I425 CarbonylContact C-O 3.54Å; D353-I425 VanDerWaalsContact CA-O 3.31Å; D353-I425 WeakPolarHBondContact CA-O 3.29Å; A354-I425 HydrophobicContact CB-CB 4Å; A354-I425 HydrophobicContact CB-CD1 4.2Å; A354-I425 HydrophobicContact CB-CG1 4.29Å; A354-I425 PolarHBondContact N-O 2.85Å; A354-I425 PolarHBondContact O-N 3.33Å; R414-I425 WeakPolarHBondContact O-CA 3.14Å; I415-I425 HydrophobicContact CG1-CG2 4.17Å; I415-I425 HydrophobicContact CG2-CG1 4.25Å; L423-I425 HydrophobicContact CD1-CG1 4.48Å; I425-V428 HydrophobicContact CB-CG2 3.95Å; I425-V428 HydrophobicContact CG2-CB 4.47Å; I425-V428 HydrophobicContact CG2-CG2 3.64Å; I425-D432 HydrophobicContact CD1-CB 4.46Å; I425-D432 HydrophobicContact CG2-CB 4.35Å; I425-Y436 HydrophobicContact CD1-CE1 4.14Å; I425-Y436 HydrophobicContact CD1-CE2 4.44Å; I425-Y436 WeakPolarHBondContact CD1-OH 3.3Å; I425-I453 HydrophobicContact CD1-CD1 3.96Å |
| 426 | H | 90 | Very high | 89.2 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77.9 | 141.6 | 172.5 | -72.4 | 9.9 | 0 | 0 | 0 | 110.7 | D353 R412 R414 Y416 | D353-H426 VanDerWaalsContact OD1-CA 3.27Å; D353-H426 WeakPolarHBondContact OD1-CA 3.37Å; D353-H426 IonicContact OD2-ND1 2.73Å; R412-H426 PolarHBondContact NH1-CE1 3.06Å; R412-H426 PolarHBondContact NH1-NE2 3.24Å; R414-H426 VanDerWaalsContact CD-O 3.28Å; R414-H426 WeakPolarHBondContact CD-O 3.05Å; R414-H426 HydrophobicContact CG-CB 4.08Å; R414-H426 WeakPolarHBondContact CG-O 3.38Å; R414-H426 PolarHBondContact NH1-O 2.87Å; R414-H426 PolarHBondContact O-N 2.89Å; Y416-H426 AromaticContact CE1-CE1 4Å; Y416-H426 PolarHBondContact OH-CE1 2.97Å |
| 427 | S | 89.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 32.6 Ų | 32.6 | 45% | 0.448 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 45 | 70.4 | 174.6 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | D353 R414 | D353-S427 PolarHBondContact OD1-N 2.92Å; R414-S427 PolarHBondContact NH1-O 3.4Å |
| 428 | V | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -63.1 | 136.9 | -169.9 | 174 | 0 | 0 | 0 | 0 | 112 | V348 N351 E352 A354 I425 D432 V455 | V348-V428 HydrophobicContact CG1-CB 4.47Å; V348-V428 HydrophobicContact CG1-CG2 4.14Å; N351-V428 PolarHBondContact N-O 3.15Å; E352-V428 VanDerWaalsContact O-CB 3.29Å; E352-V428 WeakPolarHBondContact O-CB 3.21Å; E352-V428 WeakPolarHBondContact O-CG2 3.45Å; E352-V428 PolarHBondContact O-N 2.99Å; A354-V428 HydrophobicContact CB-CG2 3.73Å; I425-V428 HydrophobicContact CB-CG2 3.95Å; I425-V428 HydrophobicContact CG2-CB 4.47Å; I425-V428 HydrophobicContact CG2-CG2 3.64Å; V428-D432 HydrophobicContact CG1-CB 4.16Å; V428-V455 HydrophobicContact CG1-CB 4.12Å; V428-V455 HydrophobicContact CG1-CG1 3.67Å; V428-V455 HydrophobicContact CG1-CG2 3.33Å | ||
| 429 | T | 91.7 | Very high | 89.7 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 30% | 0.301 | 18% | 0.18 | S | C | . | . | trans | -118.5 | 161.7 | -177.5 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | L431 D432 | T429-L431 PolarHBondContact O-N 3.4Å; T429-L431 VanDerWaalsContact O-N 3.08Å; T429-D432 PolarHBondContact N-OD2 3Å; T429-D432 WeakPolarHBondContact O-CB 3.37Å; T429-D432 PolarHBondContact O-N 3.3Å; T429-D432 PolarHBondContact OG1-OD2 3.06Å | ||
| 430 | E | 88.9 | Confident | 90.3 | Very high | 84 Ų | 84 | 27.3 Ų | 27.3 | 39% | 0.393 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -54.8 | -30.6 | 178.7 | -65.6 | 175 | -143 | 0 | 0 | 113.1 | I350 D432 S433 F457 K486 | I350-E430 HydrophobicContact CD1-CG 4.11Å; E430-D432 VanDerWaalsContact C-N 3.27Å; E430-D432 PolarHBondContact O-N 3.36Å; E430-S433 WeakPolarHBondContact O-CB 3.15Å; E430-S433 PolarHBondContact O-N 3.35Å; E430-F457 HydrophobicContact CG-CD1 3.91Å; E430-F457 HydrophobicContact CG-CE1 4.08Å; E430-K486 IonicContact OE1-NZ 3.62Å; E430-K486 PolarHBondContact OE1-NZ 3.21Å; E430-K486 IonicContact OE2-NZ 3.47Å; E430-K486 PolarHBondContact OE2-NZ 3.34Å |
| 431 | L | 88.6 | Confident | 90.6 | Very high | 144 Ų | 144 | 29.1 Ų | 29.1 | 75% | 0.754 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -75.4 | -9.9 | 178.1 | -60.8 | 176.4 | 0 | 0 | 0 | 114.3 | K384 T429 S433 | K384-L431 PolarHBondContact NZ-O 2.92Å; T429-L431 PolarHBondContact O-N 3.4Å; T429-L431 VanDerWaalsContact O-N 3.08Å; L431-S433 VanDerWaalsContact C-N 3.32Å |
| 432 | D | 92.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -86.4 | -4.4 | 172.2 | -58.4 | -52.9 | 0 | 0 | 0 | 112.3 | R414 I415 I425 V428 T429 E430 Y436 V455 | R414-D432 IonicContact CZ-OD1 2.96Å; R414-D432 IonicContact CZ-OD2 2.79Å; R414-D432 IonicContact NH1-OD1 2.75Å; R414-D432 IonicContact NH1-OD2 3.9Å; R414-D432 PolarHBondContact NH1-OD2 2.94Å; R414-D432 VanDerWaalsContact NH2-CG 3.29Å; R414-D432 IonicContact NH2-OD1 2.69Å; R414-D432 PolarHBondContact NH2-OD1 3.42Å; R414-D432 IonicContact NH2-OD2 2.69Å; R414-D432 PolarHBondContact NH2-OD2 3.26Å; I415-D432 WeakPolarHBondContact CD1-OD1 3.41Å; I425-D432 HydrophobicContact CD1-CB 4.46Å; I425-D432 HydrophobicContact CG2-CB 4.35Å; V428-D432 HydrophobicContact CG1-CB 4.16Å; T429-D432 PolarHBondContact N-OD2 3Å; T429-D432 WeakPolarHBondContact O-CB 3.37Å; T429-D432 PolarHBondContact O-N 3.3Å; T429-D432 PolarHBondContact OG1-OD2 3.06Å; E430-D432 VanDerWaalsContact C-N 3.27Å; E430-D432 PolarHBondContact O-N 3.36Å; D432-Y436 WeakPolarHBondContact O-CE2 3.42Å; D432-Y436 PolarHBondContact O-OH 2.85Å; D432-Y436 VanDerWaalsContact O-OH 3.14Å; D432-V455 HydrophobicContact CB-CG2 4.35Å |
| 433 | S | 91 | Very high | 90.3 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | trans | -72.2 | 135.6 | 172 | -150.2 | 0 | 0 | 0 | 0 | 110.4 | E430 L431 I453 L454 V455 | E430-S433 WeakPolarHBondContact O-CB 3.15Å; E430-S433 PolarHBondContact O-N 3.35Å; L431-S433 VanDerWaalsContact C-N 3.32Å; S433-I453 CarbonylContact C-O 3.46Å; S433-I453 WeakPolarHBondContact CA-O 3.35Å; S433-I453 PolarHBondContact OG-O 3.29Å; S433-L454 WeakPolarHBondContact OG-CA 3.06Å; S433-V455 PolarHBondContact OG-N 3.38Å | ||
| 434 | G | 90.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y436 I453 | G434-Y436 WeakPolarHBondContact O-CD2 3.43Å; G434-I453 PolarHBondContact N-O 3.17Å; G434-I453 PolarHBondContact O-N 3.37Å |
| 435 | S | 92.7 | Very high | 89.4 | Confident | 37 Ų | 37 | 35.5 Ų | 35.5 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.7 | 176.8 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | K385 F451 D452 | K385-S435 WeakPolarHBondContact CB-O 3.45Å; K385-S435 PolarHBondContact N-O 3.44Å; S435-F451 CarbonylContact C-O 3.55Å; S435-F451 WeakPolarHBondContact CA-O 3.47Å; S435-D452 WeakPolarHBondContact CB-OD1 3.45Å; S435-D452 PolarHBondContact OG-OD1 3.25Å |
| 436 | Y | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.1 | 172.6 | -71.1 | -106.8 | 0 | 0 | 0 | 109.5 | H383 K384 I391 L423 I425 D432 G434 V450 F451 I453 | H383-Y436 CarbonylContact O-C 3.57Å; H383-Y436 WeakPolarHBondContact O-CA 3.43Å; K384-Y436 HydrophobicContact CB-CD1 3.97Å; K384-Y436 HydrophobicContact CB-CE1 3.8Å; K384-Y436 HydrophobicContact CD-CE1 4.09Å; K384-Y436 HydrophobicContact CD-CE2 4.23Å; K384-Y436 HydrophobicContact CG-CD1 4.35Å; K384-Y436 HydrophobicContact CG-CD2 4.48Å; K384-Y436 HydrophobicContact CG-CE1 4.02Å; K384-Y436 HydrophobicContact CG-CE2 4.13Å; I391-Y436 HydrophobicContact CD1-CD1 3.74Å; I391-Y436 HydrophobicContact CD1-CE1 3.77Å; L423-Y436 HydrophobicContact CD1-CD1 4.44Å; L423-Y436 HydrophobicContact CD2-CD1 3.58Å; L423-Y436 HydrophobicContact CD2-CE1 4.17Å; L423-Y436 HydrophobicContact CD2-CG 3.93Å; I425-Y436 HydrophobicContact CD1-CE1 4.14Å; I425-Y436 HydrophobicContact CD1-CE2 4.44Å; I425-Y436 WeakPolarHBondContact CD1-OH 3.3Å; D432-Y436 WeakPolarHBondContact O-CE2 3.42Å; D432-Y436 PolarHBondContact O-OH 2.85Å; D432-Y436 VanDerWaalsContact O-OH 3.14Å; G434-Y436 WeakPolarHBondContact O-CD2 3.43Å; Y436-V450 CarbonylContact O-C 3.56Å; Y436-V450 WeakPolarHBondContact O-CA 3.47Å; Y436-F451 PolarHBondContact N-O 3.42Å; Y436-F451 PolarHBondContact O-N 3.06Å; Y436-I453 HydrophobicContact CD2-CB 4.05Å; Y436-I453 HydrophobicContact CD2-CD1 3.55Å; Y436-I453 HydrophobicContact CD2-CG1 3.66Å; Y436-I453 HydrophobicContact CE2-CB 3.99Å; Y436-I453 HydrophobicContact CE2-CD1 3.71Å; Y436-I453 HydrophobicContact CE2-CG1 3.99Å; Y436-I453 HydrophobicContact CG-CD1 4.03Å; Y436-I453 HydrophobicContact CG-CG1 4.43Å |
| 437 | E | 92.8 | Very high | 89.1 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.1 | 179.3 | -171.1 | 176.9 | 157.5 | 0 | 0 | 110 | H383 I439 R446 S448 I449 V450 | H383-E437 PolarHBondContact N-O 3.05Å; H383-E437 PolarHBondContact O-N 3.01Å; E437-I439 HydrophobicContact CG-CG1 3.88Å; E437-R446 IonicContact OE1-CZ 2.76Å; E437-R446 IonicContact OE1-NH2 2.68Å; E437-R446 PolarHBondContact OE1-NH2 3Å; E437-R446 IonicContact OE2-NH2 3.48Å; E437-S448 WeakPolarHBondContact OE1-CB 3.34Å; E437-S448 PolarHBondContact OE1-OG 3.2Å; E437-I449 WeakPolarHBondContact CA-O 3.28Å; E437-V450 HydrophobicContact CB-CG2 4.17Å; E437-V450 HydrophobicContact CG-CG2 3.97Å |
| 438 | M | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.8 | 164.2 | -167.6 | -168.4 | 80.8 | 0 | 0 | 108.5 | P331 F336 Y358 I380 W382 L440 S448 I449 | P331-M438 HydrophobicContact CB-CE 3.81Å; P331-M438 HydrophobicContact CG-CE 3.98Å; F336-M438 HydrophobicContact CE1-CE 4.42Å; F336-M438 HydrophobicContact CE1-SD 3.81Å; F336-M438 HydrophobicContact CZ-CE 3.7Å; F336-M438 HydrophobicContact CZ-SD 3.7Å; Y358-M438 HydrophobicContact CD1-CE 4.26Å; Y358-M438 HydrophobicContact CD1-SD 3.97Å; Y358-M438 HydrophobicContact CD2-CE 4.02Å; Y358-M438 HydrophobicContact CD2-SD 4.06Å; Y358-M438 HydrophobicContact CE1-CE 4.05Å; Y358-M438 HydrophobicContact CE1-SD 4.35Å; Y358-M438 HydrophobicContact CE2-CE 3.76Å; Y358-M438 HydrophobicContact CE2-SD 4.4Å; Y358-M438 HydrophobicContact CG-CE 4.23Å; Y358-M438 HydrophobicContact CG-SD 3.8Å; I380-M438 HydrophobicContact CG2-CG 3.77Å; I380-M438 HydrophobicContact CG2-SD 3.91Å; W382-M438 HydrophobicContact CD2-CB 3.94Å; W382-M438 HydrophobicContact CD2-CG 3.96Å; W382-M438 HydrophobicContact CE3-CB 3.88Å; W382-M438 HydrophobicContact CE3-CG 4.42Å; W382-M438 HydrophobicContact CG-CG 4.46Å; W382-M438 HydrophobicContact CH2-CB 3.82Å; W382-M438 HydrophobicContact CH2-CG 4.26Å; W382-M438 HydrophobicContact CH2-SD 4.42Å; W382-M438 HydrophobicContact CZ2-CB 3.85Å; W382-M438 HydrophobicContact CZ2-CG 3.75Å; W382-M438 HydrophobicContact CZ2-SD 3.73Å; W382-M438 HydrophobicContact CZ3-CB 3.83Å; M438-L440 HydrophobicContact CE-CD1 4.47Å; M438-L440 HydrophobicContact CE-CD2 3.8Å; M438-L440 HydrophobicContact CE-CG 4.03Å; M438-S448 CarbonylContact O-C 3.58Å; M438-S448 WeakPolarHBondContact O-CA 3.17Å; M438-S448 WeakPolarHBondContact O-CB 3.13Å; M438-I449 HydrophobicContact CB-CG2 4.03Å; M438-I449 HydrophobicContact CE-CG2 4.1Å; M438-I449 PolarHBondContact N-O 2.92Å; M438-I449 PolarHBondContact O-N 3.2Å |
| 439 | I | 91.4 | Very high | 89.1 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.4 | -179.3 | -50.3 | 177.3 | 0 | 0 | 0 | 109 | I380 I381 H383 E437 T441 R446 | I380-I439 CarbonylContact C-O 3.49Å; I380-I439 WeakPolarHBondContact CA-O 3.34Å; I381-I439 PolarHBondContact N-O 2.92Å; I381-I439 WeakPolarHBondContact O-CB 3.35Å; I381-I439 PolarHBondContact O-N 2.94Å; H383-I439 WeakPolarHBondContact ND1-CD1 3.4Å; E437-I439 HydrophobicContact CG-CG1 3.88Å; I439-T441 HydrophobicContact CG2-CG2 3.85Å; I439-R446 HydrophobicContact CG2-CG 3.59Å |
| 440 | L | 88.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.3 | 165.9 | -58 | -175.4 | 0 | 0 | 0 | 108.7 | L328 Y329 P331 P378 I380 M438 R446 A447 | L328-L440 HydrophobicContact CD1-CB 4.06Å; Y329-L440 HydrophobicContact CD2-CD1 4.07Å; Y329-L440 HydrophobicContact CE2-CD1 3.29Å; P331-L440 HydrophobicContact CB-CD1 4.18Å; P331-L440 HydrophobicContact CG-CD1 3.98Å; P331-L440 HydrophobicContact CG-CG 4.33Å; P378-L440 HydrophobicContact CB-CB 4.07Å; P378-L440 HydrophobicContact CB-CD2 4.49Å; P378-L440 HydrophobicContact CG-CD1 4.45Å; P378-L440 HydrophobicContact CG-CD2 4.3Å; I380-L440 HydrophobicContact CB-CD2 4.26Å; I380-L440 HydrophobicContact CD1-CD2 4.41Å; I380-L440 HydrophobicContact CG1-CD2 3.72Å; I380-L440 HydrophobicContact CG2-CD2 4.15Å; M438-L440 HydrophobicContact CE-CD1 4.47Å; M438-L440 HydrophobicContact CE-CD2 3.8Å; M438-L440 HydrophobicContact CE-CG 4.03Å; L440-R446 WeakPolarHBondContact O-CA 3.48Å; L440-A447 PolarHBondContact N-O 3.02Å; L440-A447 PolarHBondContact O-N 3.22Å; L440-A447 VanDerWaalsContact O-O 3.14Å |
| 441 | T | 86.4 | Confident | 89.3 | Confident | 44 Ų | 44 | 36 Ų | 36 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.5 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | K379 I439 G445 R446 | K379-T441 PolarHBondContact N-O 3.07Å; K379-T441 PolarHBondContact O-N 3.41Å; K379-T441 PolarHBondContact O-OG1 2.84Å; I439-T441 HydrophobicContact CG2-CG2 3.85Å; T441-G445 WeakPolarHBondContact CA-O 3.42Å; T441-R446 HydrophobicContact CG2-CB 4.2Å; T441-R446 HydrophobicContact CG2-CG 4.21Å |
| 442 | N | 83.3 | Confident | 89.4 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -169.6 | 167.9 | 77 | -0.4 | 0 | 0 | 0 | 110.6 | A327 P376 P378 A444 G445 | A327-N442 PolarHBondContact O-ND2 3.35Å; P376-N442 HydrophobicContact CG-CB 4.12Å; P376-N442 PolarHBondContact O-ND2 3.38Å; P378-N442 HydrophobicContact CB-CB 4.35Å; N442-A444 PolarHBondContact O-N 2.93Å; N442-A444 WeakPolarHBondContact OD1-CB 3.47Å; N442-A444 PolarHBondContact OD1-N 3.09Å; N442-G445 PolarHBondContact N-O 3.38Å; N442-G445 PolarHBondContact O-N 3.44Å; N442-G445 VanDerWaalsContact O-N 3.1Å; N442-G445 VanDerWaalsContact O-O 3.13Å |
| 443 | T | 80.1 | Confident | 89.4 | Confident | 68 Ų | 68 | 31.8 Ų | 31.8 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.2 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | F234 A326 P376 | F234-T443 HydrophobicContact CB-CG2 4.22Å; F234-T443 VanDerWaalsContact CB-OG1 3.29Å; F234-T443 WeakPolarHBondContact CB-OG1 3.47Å; A326-T443 WeakPolarHBondContact CB-OG1 3.34Å; P376-T443 WeakPolarHBondContact CD-OG1 3.48Å; P376-T443 HydrophobicContact CG-CG2 4.27Å |
| 444 | A | 80.6 | Confident | 89.5 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -17.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M236 A326 L328 N442 | M236-A444 HydrophobicContact CG-CB 4.45Å; A326-A444 HydrophobicContact CB-CB 3.94Å; L328-A444 HydrophobicContact CB-CB 4.04Å; N442-A444 PolarHBondContact O-N 2.93Å; N442-A444 WeakPolarHBondContact OD1-CB 3.47Å; N442-A444 PolarHBondContact OD1-N 3.09Å |
| 445 | G | 85.6 | Confident | 89.5 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.9 | -143.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L328 T441 N442 | L328-G445 WeakPolarHBondContact CD2-O 3.38Å; T441-G445 WeakPolarHBondContact CA-O 3.42Å; N442-G445 PolarHBondContact N-O 3.38Å; N442-G445 PolarHBondContact O-N 3.44Å; N442-G445 VanDerWaalsContact O-N 3.1Å; N442-G445 VanDerWaalsContact O-O 3.13Å |
| 446 | R | 89.5 | Confident | 89.5 | Confident | 147 Ų | 147 | 27.7 Ų | 27.7 | 56% | 0.555 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.7 | 179.6 | 173.6 | 177.2 | 165.8 | -177.2 | -2.2 | 110.2 | E437 I439 L440 T441 | E437-R446 IonicContact OE1-CZ 2.76Å; E437-R446 IonicContact OE1-NH2 2.68Å; E437-R446 PolarHBondContact OE1-NH2 3Å; E437-R446 IonicContact OE2-NH2 3.48Å; I439-R446 HydrophobicContact CG2-CG 3.59Å; L440-R446 WeakPolarHBondContact O-CA 3.48Å; T441-R446 HydrophobicContact CG2-CB 4.2Å; T441-R446 HydrophobicContact CG2-CG 4.21Å |
| 447 | A | 88.1 | Confident | 89.4 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L328 Y330 L440 | L328-A447 HydrophobicContact CD2-CB 3.95Å; L328-A447 HydrophobicContact CG-CB 4.14Å; Y330-A447 HydrophobicContact CD1-CB 3.79Å; Y330-A447 HydrophobicContact CE1-CB 4Å; Y330-A447 HydrophobicContact CG-CB 4.28Å; L440-A447 PolarHBondContact N-O 3.02Å; L440-A447 PolarHBondContact O-N 3.22Å; L440-A447 VanDerWaalsContact O-O 3.14Å |
| 448 | S | 90.9 | Very high | 89.4 | Confident | 49 Ų | 49 | 30 Ų | 30 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 162.2 | 174.9 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | E437 M438 | E437-S448 WeakPolarHBondContact OE1-CB 3.34Å; E437-S448 PolarHBondContact OE1-OG 3.2Å; M438-S448 CarbonylContact O-C 3.58Å; M438-S448 WeakPolarHBondContact O-CA 3.17Å; M438-S448 WeakPolarHBondContact O-CB 3.13Å |
| 449 | I | 91.6 | Very high | 89.4 | Confident | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137 | -179.2 | -177.1 | 164.5 | 0 | 0 | 0 | 109.5 | P331 R333 F336 E437 M438 F451 | P331-I449 HydrophobicContact CB-CG2 4.05Å; P331-I449 HydrophobicContact CG-CB 4.06Å; P331-I449 HydrophobicContact CG-CG2 3.65Å; R333-I449 HydrophobicContact CG-CD1 3.78Å; F336-I449 HydrophobicContact CE2-CD1 4.17Å; F336-I449 HydrophobicContact CE2-CG2 4.2Å; F336-I449 HydrophobicContact CZ-CG2 3.8Å; E437-I449 WeakPolarHBondContact CA-O 3.28Å; M438-I449 HydrophobicContact CB-CG2 4.03Å; M438-I449 HydrophobicContact CE-CG2 4.1Å; M438-I449 PolarHBondContact N-O 2.92Å; M438-I449 PolarHBondContact O-N 3.2Å; I449-F451 HydrophobicContact CB-CE2 4.41Å; I449-F451 HydrophobicContact CD1-CE1 4.4Å; I449-F451 HydrophobicContact CD1-CE2 4.21Å; I449-F451 HydrophobicContact CD1-CZ 3.72Å; I449-F451 HydrophobicContact CG1-CE2 3.89Å; I449-F451 HydrophobicContact CG1-CZ 3.86Å; I449-F451 HydrophobicContact CG2-CE2 3.79Å; I449-F451 HydrophobicContact CG2-CZ 4.32Å |
| 450 | V | 91.7 | Very high | 89.3 | Confident | 41 Ų | 41 | 33.6 Ų | 33.6 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.1 | -176.5 | -177 | 0 | 0 | 0 | 0 | 110.4 | R333 Y436 E437 | R333-V450 PolarHBondContact NH2-O 3.3Å; Y436-V450 CarbonylContact O-C 3.56Å; Y436-V450 WeakPolarHBondContact O-CA 3.47Å; E437-V450 HydrophobicContact CB-CG2 4.17Å; E437-V450 HydrophobicContact CG-CG2 3.97Å |
| 451 | F | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.2 | 175.4 | -61.4 | -82.9 | 0 | 0 | 0 | 110 | R333 F336 L340 L356 W382 S435 Y436 I449 | R333-F451 HydrophobicContact CG-CE1 3.97Å; R333-F451 HydrophobicContact CG-CZ 4.48Å; F336-F451 HydrophobicContact CB-CZ 4.45Å; F336-F451 AromaticContact CD1-CE2 3.88Å; F336-F451 HydrophobicContact CD1-CE2 3.88Å; F336-F451 AromaticContact CD1-CZ 3.67Å; F336-F451 HydrophobicContact CD1-CZ 3.67Å; F336-F451 HydrophobicContact CD2-CE1 4.45Å; F336-F451 HydrophobicContact CD2-CE2 4.38Å; F336-F451 AromaticContact CD2-CZ 3.6Å; F336-F451 HydrophobicContact CD2-CZ 3.6Å; F336-F451 AromaticContact CE1-CE2 3.47Å; F336-F451 HydrophobicContact CE1-CE2 3.47Å; F336-F451 VanDerWaalsContact CE1-CE2 3.47Å; F336-F451 AromaticContact CE1-CZ 3.65Å; F336-F451 HydrophobicContact CE1-CZ 3.65Å; F336-F451 HydrophobicContact CE2-CE2 4.04Å; F336-F451 AromaticContact CE2-CZ 3.6Å; F336-F451 HydrophobicContact CE2-CZ 3.6Å; F336-F451 HydrophobicContact CG-CE1 4.33Å; F336-F451 HydrophobicContact CG-CE2 4.31Å; F336-F451 AromaticContact CG-CZ 3.64Å; F336-F451 HydrophobicContact CG-CZ 3.64Å; F336-F451 AromaticContact CZ-CE2 3.56Å; F336-F451 HydrophobicContact CZ-CE2 3.56Å; F336-F451 AromaticContact CZ-CZ 3.61Å; F336-F451 HydrophobicContact CZ-CZ 3.61Å; L340-F451 HydrophobicContact CD1-CD1 3.66Å; L340-F451 HydrophobicContact CD1-CE1 4.15Å; L356-F451 HydrophobicContact CD2-CB 3.93Å; L356-F451 HydrophobicContact CD2-CD1 4.18Å; L356-F451 HydrophobicContact CD2-CD2 3.71Å; L356-F451 HydrophobicContact CD2-CE2 4.21Å; L356-F451 HydrophobicContact CD2-CG 3.68Å; W382-F451 HydrophobicContact CH2-CD2 4.35Å; W382-F451 HydrophobicContact CH2-CE2 4.41Å; W382-F451 HydrophobicContact CZ3-CD2 4.34Å; S435-F451 CarbonylContact C-O 3.55Å; S435-F451 WeakPolarHBondContact CA-O 3.47Å; Y436-F451 PolarHBondContact N-O 3.42Å; Y436-F451 PolarHBondContact O-N 3.06Å; I449-F451 HydrophobicContact CB-CE2 4.41Å; I449-F451 HydrophobicContact CD1-CE1 4.4Å; I449-F451 HydrophobicContact CD1-CE2 4.21Å; I449-F451 HydrophobicContact CD1-CZ 3.72Å; I449-F451 HydrophobicContact CG1-CE2 3.89Å; I449-F451 HydrophobicContact CG1-CZ 3.86Å; I449-F451 HydrophobicContact CG2-CE2 3.79Å; I449-F451 HydrophobicContact CG2-CZ 4.32Å |
| 452 | D | 91.5 | Very high | 89.7 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.9 | 177.1 | -49 | -66.6 | 0 | 0 | 0 | 108.2 | P345 F346 S435 | P345-D452 CarbonylContact C-O 3.57Å; P345-D452 WeakPolarHBondContact CA-O 3.3Å; P345-D452 HydrophobicContact CB-CB 4.26Å; P345-D452 WeakPolarHBondContact CB-O 3.38Å; F346-D452 PolarHBondContact N-O 2.98Å; S435-D452 WeakPolarHBondContact CB-OD1 3.45Å; S435-D452 PolarHBondContact OG-OD1 3.25Å |
| 453 | I | 92.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.7 | 175 | -58.7 | -171.8 | 0 | 0 | 0 | 108.1 | F346 L423 I425 S433 G434 Y436 V455 | F346-I453 HydrophobicContact CB-CG1 4.36Å; F346-I453 HydrophobicContact CD1-CD1 4.35Å; F346-I453 HydrophobicContact CD1-CG1 4.33Å; L423-I453 HydrophobicContact CD2-CD1 3.97Å; I425-I453 HydrophobicContact CD1-CD1 3.96Å; S433-I453 CarbonylContact C-O 3.46Å; S433-I453 WeakPolarHBondContact CA-O 3.35Å; S433-I453 PolarHBondContact OG-O 3.29Å; G434-I453 PolarHBondContact N-O 3.17Å; G434-I453 PolarHBondContact O-N 3.37Å; Y436-I453 HydrophobicContact CD2-CB 4.05Å; Y436-I453 HydrophobicContact CD2-CD1 3.55Å; Y436-I453 HydrophobicContact CD2-CG1 3.66Å; Y436-I453 HydrophobicContact CE2-CB 3.99Å; Y436-I453 HydrophobicContact CE2-CD1 3.71Å; Y436-I453 HydrophobicContact CE2-CG1 3.99Å; Y436-I453 HydrophobicContact CG-CD1 4.03Å; Y436-I453 HydrophobicContact CG-CG1 4.43Å; I453-V455 HydrophobicContact CG2-CG2 4.46Å |
| 454 | L | 91.3 | Very high | 89.5 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.9 | -179.3 | -177.9 | 58.6 | 0 | 0 | 0 | 109.8 | P345 F346 I347 V348 S433 P490 | P345-L454 HydrophobicContact CB-CB 3.96Å; P345-L454 HydrophobicContact CG-CB 4.34Å; P345-L454 HydrophobicContact CG-CD2 4.19Å; F346-L454 PolarHBondContact O-N 3.22Å; I347-L454 WeakPolarHBondContact CA-O 3.48Å; I347-L454 HydrophobicContact CD1-CD2 4.48Å; I347-L454 HydrophobicContact CG1-CB 4.39Å; I347-L454 HydrophobicContact CG1-CD2 4.32Å; V348-L454 PolarHBondContact N-O 3.37Å; S433-L454 WeakPolarHBondContact OG-CA 3.06Å; L454-P490 HydrophobicContact CD1-CG 3.83Å; L454-P490 HydrophobicContact CD2-CB 4.41Å; L454-P490 HydrophobicContact CD2-CG 4.02Å |
| 455 | V | 92.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 107.9 | -178 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | V348 I350 V428 D432 S433 I453 | V348-V455 WeakPolarHBondContact O-CA 3.32Å; I350-V455 HydrophobicContact CB-CG1 4.34Å; V428-V455 HydrophobicContact CG1-CB 4.12Å; V428-V455 HydrophobicContact CG1-CG1 3.67Å; V428-V455 HydrophobicContact CG1-CG2 3.33Å; D432-V455 HydrophobicContact CB-CG2 4.35Å; S433-V455 PolarHBondContact OG-N 3.38Å; I453-V455 HydrophobicContact CG2-CG2 4.46Å |
| 456 | N | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.6 | -177.8 | -84.8 | 5.1 | 0 | 0 | 0 | 112.1 | I347 V348 R349 I350 S488 G491 T539 D540 Y542 | I347-N456 HydrophobicContact CG2-CB 4.19Å; I347-N456 WeakPolarHBondContact CG2-ND2 3.27Å; V348-N456 PolarHBondContact O-N 3.17Å; R349-N456 CarbonylContact C-O 3.59Å; R349-N456 WeakPolarHBondContact CA-O 3.49Å; I350-N456 PolarHBondContact N-O 2.82Å; N456-S488 WeakPolarHBondContact CA-OG 3.34Å; N456-S488 WeakPolarHBondContact OD1-CB 3.46Å; N456-G491 PolarHBondContact ND2-O 3.49Å; N456-T539 HydrophobicContact CB-CG2 3.79Å; N456-D540 WeakPolarHBondContact ND2-CB 3.5Å; N456-D540 PolarHBondContact ND2-N 3.48Å; N456-D540 PolarHBondContact ND2-O 3.45Å; N456-Y542 HydrophobicContact CB-CE2 4.23Å; N456-Y542 PolarHBondContact O-OH 3.35Å |
| 457 | F | 91.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | trans | -132.7 | 154.4 | 177.2 | 55.8 | -89.8 | 0 | 0 | 0 | 110.7 | I350 E430 K486 R487 S488 | I350-F457 HydrophobicContact CB-CB 4.18Å; I350-F457 HydrophobicContact CD1-CB 4.36Å; I350-F457 HydrophobicContact CG2-CB 3.75Å; E430-F457 HydrophobicContact CG-CD1 3.91Å; E430-F457 HydrophobicContact CG-CE1 4.08Å; F457-K486 HydrophobicContact CE2-CD 3.66Å; F457-K486 HydrophobicContact CE2-CG 3.86Å; F457-K486 HydrophobicContact CZ-CD 4.1Å; F457-K486 HydrophobicContact CZ-CG 4.23Å; F457-R487 VanDerWaalsContact CZ-C 3.49Å; F457-R487 WeakPolarHBondContact CZ-O 3.47Å; F457-S488 WeakPolarHBondContact CD1-OG 3.39Å; F457-S488 PolarHBondContact N-OG 3.33Å; F457-S488 PolarHBondContact O-OG 3.11Å | ||
| 458 | P | 91.4 | Very high | 89.3 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 147.7 | 178.2 | -23.4 | 36.2 | 0 | 0 | 0 | 112.3 | Y542 W546 | P458-Y542 HydrophobicContact CG-CE1 3.98Å; P458-W546 HydrophobicContact CB-CH2 4.1Å; P458-W546 HydrophobicContact CB-CZ2 3.72Å; P458-W546 HydrophobicContact CG-CH2 4.45Å; P458-W546 HydrophobicContact CG-CZ2 4.19Å |
| 459 | P | 92.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 137.2 | 176.1 | 29.2 | -34.3 | 0 | 0 | 0 | 111.9 | F461 K486 R487 V537 W546 | P459-F461 HydrophobicContact CB-CE2 3.94Å; P459-F461 HydrophobicContact CB-CZ 4.2Å; P459-F461 HydrophobicContact CG-CE2 3.83Å; P459-F461 HydrophobicContact CG-CZ 4.16Å; P459-K486 CarbonylContact C-O 3.55Å; P459-K486 WeakPolarHBondContact CA-O 3.35Å; P459-R487 HydrophobicContact CB-CB 4.21Å; P459-V537 HydrophobicContact CB-CB 4.28Å; P459-V537 HydrophobicContact CB-CG1 3.98Å; P459-V537 HydrophobicContact CB-CG2 4.48Å; P459-V537 HydrophobicContact CG-CB 3.97Å; P459-V537 HydrophobicContact CG-CG1 3.93Å; P459-W546 VanDerWaalsContact CD-CD2 3.49Å; P459-W546 HydrophobicContact CG-CB 3.71Å; P459-W546 HydrophobicContact CG-CD2 3.65Å; P459-W546 HydrophobicContact CG-CE3 3.68Å; P459-W546 HydrophobicContact CG-CG 3.67Å |
| 460 | E | 90.8 | Very high | 89.3 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140.5 | 166.1 | -60.1 | 178.8 | -127.2 | 0 | 0 | 109.5 | K485 K486 | E460-K485 HydrophobicContact CB-CB 4.24Å; E460-K485 HydrophobicContact CB-CD 4.29Å; E460-K485 WeakPolarHBondContact O-CA 3.43Å; E460-K485 PolarHBondContact O-N 3.25Å; E460-K485 IonicContact OE2-NZ 3.4Å; E460-K485 PolarHBondContact OE2-NZ 3.46Å; E460-K486 HydrophobicContact CB-CB 3.97Å; E460-K486 HydrophobicContact CG-CB 4.17Å; E460-K486 PolarHBondContact N-O 3.08Å; E460-K486 PolarHBondContact O-N 3.46Å; E460-K486 VanDerWaalsContact O-N 3.07Å; E460-K486 VanDerWaalsContact OE1-CD 3.25Å; E460-K486 WeakPolarHBondContact OE1-CD 3.38Å |
| 461 | F | 92.2 | Very high | 89.2 | Confident | 28 Ų | 28 | 57 Ų | 57 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 154.6 | 175 | -61.7 | -96.3 | 0 | 0 | 0 | 110.9 | P459 Q463 L465 G483 I484 V537 W546 | P459-F461 HydrophobicContact CB-CE2 3.94Å; P459-F461 HydrophobicContact CB-CZ 4.2Å; P459-F461 HydrophobicContact CG-CE2 3.83Å; P459-F461 HydrophobicContact CG-CZ 4.16Å; F461-Q463 PolarHBondContact O-N 2.96Å; F461-L465 HydrophobicContact CB-CD1 3.92Å; F461-L465 HydrophobicContact CB-CD2 4.07Å; F461-L465 HydrophobicContact CB-CG 4.19Å; F461-L465 HydrophobicContact CD1-CD1 4.44Å; F461-L465 HydrophobicContact CD1-CD2 4.38Å; F461-L465 HydrophobicContact CG-CD1 4.06Å; F461-L465 HydrophobicContact CG-CD2 4.49Å; F461-G483 CarbonylContact C-O 3.51Å; F461-G483 VanDerWaalsContact CA-O 3.28Å; F461-G483 WeakPolarHBondContact CA-O 3.41Å; F461-G483 WeakPolarHBondContact CB-O 3.05Å; F461-I484 HydrophobicContact CD1-CG1 3.96Å; F461-I484 HydrophobicContact CE1-CG1 3.65Å; F461-I484 HydrophobicContact CZ-CG1 4.47Å; F461-V537 HydrophobicContact CE1-CG2 4.02Å; F461-V537 HydrophobicContact CZ-CB 4.39Å; F461-V537 HydrophobicContact CZ-CG2 3.72Å; F461-W546 HydrophobicContact CE2-CB 3.74Å; F461-W546 HydrophobicContact CE2-CG 4.47Å; F461-W546 HydrophobicContact CZ-CB 3.9Å |
| 462 | Y | 89.3 | Confident | 89.2 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 121.7 | 166.9 | -65.9 | -71 | 0 | 0 | 0 | 109.1 | G483 I484 K485 | Y462-G483 PolarHBondContact N-O 3.24Å; Y462-I484 WeakPolarHBondContact CE2-O 3.01Å; Y462-K485 HydrophobicContact CD1-CB 4Å; Y462-K485 HydrophobicContact CD1-CG 4.15Å; Y462-K485 HydrophobicContact CD2-CB 4.08Å; Y462-K485 HydrophobicContact CE1-CB 3.91Å; Y462-K485 HydrophobicContact CE1-CD 4.44Å; Y462-K485 HydrophobicContact CE1-CG 3.76Å; Y462-K485 HydrophobicContact CE2-CB 4Å; Y462-K485 HydrophobicContact CG-CB 4.08Å |
| 463 | Q | 82.4 | Confident | 89 | Confident | 180 Ų | 180 | 59.9 Ų | 59.9 | 84% | 0.841 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -97.6 | 144.8 | 176.9 | -67 | -173.7 | -0.5 | 0 | 0 | 110.7 | F461 | F461-Q463 PolarHBondContact O-N 2.96Š|
| 464 | P | 76.9 | Confident | 88.7 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | cis | -80.7 | 145.8 | 0.8 | 33.9 | -35.6 | 0 | 0 | 0 | 113.1 | T466 | P464-T466 HydrophobicContact CB-CG2 4.17Å; P464-T466 HydrophobicContact CG-CG2 4.06Å; P464-T466 PolarHBondContact O-N 3.23Å |
| 465 | L | 79.3 | Confident | 88.4 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | trans | -81.2 | 70.9 | 167.2 | -72.4 | 173.1 | 0 | 0 | 0 | 109.6 | F461 R549 | F461-L465 HydrophobicContact CB-CD1 3.92Å; F461-L465 HydrophobicContact CB-CD2 4.07Å; F461-L465 HydrophobicContact CB-CG 4.19Å; F461-L465 HydrophobicContact CD1-CD1 4.44Å; F461-L465 HydrophobicContact CD1-CD2 4.38Å; F461-L465 HydrophobicContact CG-CD1 4.06Å; F461-L465 HydrophobicContact CG-CD2 4.49Å; L465-R549 HydrophobicContact CD2-CB 4.03Å | ||
| 466 | T | 83.2 | Confident | 88.3 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | trans | -75.7 | 140.1 | 174.2 | 42.4 | 0 | 0 | 0 | 0 | 111.6 | P464 R549 | P464-T466 HydrophobicContact CB-CG2 4.17Å; P464-T466 HydrophobicContact CG-CG2 4.06Å; P464-T466 PolarHBondContact O-N 3.23Å; T466-R549 WeakPolarHBondContact O-CD 3.23Å; T466-R549 WeakPolarHBondContact O-CG 3.49Å | ||
| 467 | H | 88.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | trans | -60.9 | 134 | 166.6 | 174.7 | 97 | 0 | 0 | 0 | 110.8 | E469 E550 T552 | H467-E469 IonicContact CD2-OE1 3.72Å; H467-E469 IonicContact CE1-OE1 2.75Å; H467-E469 VanDerWaalsContact NE2-CG 3.29Å; H467-E469 WeakPolarHBondContact NE2-CG 3.4Å; H467-E469 IonicContact NE2-OE1 2.64Å; H467-E469 PolarHBondContact NE2-OE1 3.15Å; H467-E550 WeakPolarHBondContact CA-O 3.23Å; H467-E550 IonicContact ND1-OE1 2.68Å; H467-T552 PolarHBondContact CE1-OG1 3.42Å | ||
| 468 | E | 89.1 | Confident | 88.2 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144 | 176.8 | -68.6 | 176.8 | -162.7 | 0 | 0 | 111.3 | H470 R549 E550 Q551 T552 | E468-H470 IonicContact OE2-CE1 2.74Å; E468-H470 PolarHBondContact OE2-CE1 2.72Å; E468-H470 IonicContact OE2-NE2 3.95Å; E468-H470 PolarHBondContact OE2-NE2 3.09Å; E468-R549 WeakPolarHBondContact OE1-CD 3.33Å; E468-R549 IonicContact OE1-CZ 2.68Å; E468-R549 IonicContact OE1-NE 2.73Å; E468-R549 IonicContact OE1-NH1 2.72Å; E468-R549 PolarHBondContact OE1-NH1 2.88Å; E468-R549 IonicContact OE2-NH1 3.87Å; E468-E550 PolarHBondContact N-O 2.9Å; E468-E550 VanDerWaalsContact N-O 3.08Å; E468-Q551 HydrophobicContact CB-CG 4.02Å; E468-Q551 CarbonylContact O-C 3.58Å; E468-Q551 WeakPolarHBondContact O-CA 3.18Å; E468-T552 PolarHBondContact O-N 2.84Å |
| 469 | E | 90.6 | Very high | 88.3 | Confident | 132 Ų | 132 | 69.1 Ų | 69.1 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.5 | 178.1 | -59.2 | -163.1 | 162.7 | 0 | 0 | 111.5 | H467 | H467-E469 IonicContact CD2-OE1 3.72Å; H467-E469 IonicContact CE1-OE1 2.75Å; H467-E469 VanDerWaalsContact NE2-CG 3.29Å; H467-E469 WeakPolarHBondContact NE2-CG 3.4Å; H467-E469 IonicContact NE2-OE1 2.64Å; H467-E469 PolarHBondContact NE2-OE1 3.15Å |
| 470 | H | 91.6 | Very high | 88.3 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 93.9 | -172 | -69.4 | -71.9 | 0 | 0 | 0 | 110.1 | E468 I478 T552 L553 I554 | E468-H470 IonicContact OE2-CE1 2.74Å; E468-H470 PolarHBondContact OE2-CE1 2.72Å; E468-H470 IonicContact OE2-NE2 3.95Å; E468-H470 PolarHBondContact OE2-NE2 3.09Å; H470-I478 HydrophobicContact CB-CD1 3.51Å; H470-I478 VanDerWaalsContact CG-CD1 3.48Å; H470-T552 PolarHBondContact N-O 2.96Å; H470-L553 HydrophobicContact CB-CD1 4.4Å; H470-I554 PolarHBondContact O-N 3Å |
| 471 | A | 89.8 | Confident | 88.4 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 95.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I554 K556 | A471-I554 CarbonylContact C-O 3.52Å; A471-I554 WeakPolarHBondContact CA-O 3.3Å; A471-I554 HydrophobicContact CB-CB 4.18Å; A471-K556 WeakPolarHBondContact O-CE 3.34Å; A471-K556 PolarHBondContact O-NZ 3.42Å |
| 472 | L | 92.5 | Very high | 88.4 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 162.4 | -170.4 | -65 | 178.3 | 0 | 0 | 0 | 112.9 | I478 L525 I554 K556 | L472-I478 HydrophobicContact CD1-CB 3.8Å; L472-I478 HydrophobicContact CD1-CD1 3.88Å; L472-I478 HydrophobicContact CD1-CG1 4.23Å; L472-I478 HydrophobicContact CD1-CG2 4.41Å; L472-L525 HydrophobicContact CB-CD1 3.87Å; L472-L525 HydrophobicContact CD1-CD1 3.71Å; L472-L525 HydrophobicContact CG-CD1 4.43Å; L472-I554 PolarHBondContact N-O 2.66Å; L472-K556 WeakPolarHBondContact O-CB 3.27Å; L472-K556 VanDerWaalsContact O-CG 3.31Å; L472-K556 WeakPolarHBondContact O-CG 3.39Å; L472-K556 PolarHBondContact O-N 2.95Å |
| 473 | D | 88.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 153.1 | 172.6 | -85.3 | -45.4 | 0 | 0 | 0 | 111.3 | S476 Y638 K639 | D473-S476 WeakPolarHBondContact O-CB 3.22Å; D473-S476 PolarHBondContact O-N 2.92Å; D473-S476 PolarHBondContact O-OG 3.24Å; D473-Y638 PolarHBondContact OD1-OH 2.92Å; D473-K639 IonicContact OD1-NZ 2.78Å; D473-K639 PolarHBondContact OD1-NZ 2.73Å; D473-K639 IonicContact OD2-NZ 3.76Å; D473-K639 PolarHBondContact OD2-NZ 2.87Å |
| 474 | E | 85.8 | Confident | 88.9 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 148.9 | 171.6 | -171.6 | 175.8 | 160.8 | 0 | 0 | 112 | S476 P527 V555 K556 A557 K558 | E474-S476 PolarHBondContact O-N 3.03Å; E474-P527 VanDerWaalsContact CD-CD 3.47Å; E474-P527 HydrophobicContact CG-CG 3.86Å; E474-P527 WeakPolarHBondContact OE2-CG 3.41Å; E474-V555 HydrophobicContact CB-CG1 4.38Å; E474-K556 PolarHBondContact N-O 3.33Å; E474-A557 VanDerWaalsContact OE2-CA 3.27Å; E474-A557 WeakPolarHBondContact OE2-CA 3.27Å; E474-K558 HydrophobicContact CB-CD 4.49Å; E474-K558 HydrophobicContact CG-CD 4.21Å; E474-K558 WeakPolarHBondContact OE1-CE 3.38Å; E474-K558 IonicContact OE1-NZ 3.76Å; E474-K558 PolarHBondContact OE1-NZ 3Å; E474-K558 WeakPolarHBondContact OE2-CG 3.45Å; E474-K558 PolarHBondContact OE2-N 2.96Å |
| 475 | D | 85.2 | Confident | 89.5 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 9.2 | -176.4 | -50 | -49.8 | 0 | 0 | 0 | 115.3 | L525 K526 K558 | D475-L525 PolarHBondContact N-O 3.04Å; D475-K526 IonicContact OD1-NZ 2.71Å; D475-K526 PolarHBondContact OD1-NZ 2.04Å; D475-K558 IonicContact OD1-NZ 3.84Å; D475-K558 IonicContact OD2-NZ 3.24Å; D475-K558 PolarHBondContact OD2-NZ 3.29Å |
| 476 | S | 90.6 | Very high | 90 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | trans | -86 | 171 | 168.8 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | D473 E474 L525 | D473-S476 WeakPolarHBondContact O-CB 3.22Å; D473-S476 PolarHBondContact O-N 2.92Å; D473-S476 PolarHBondContact O-OG 3.24Å; E474-S476 PolarHBondContact O-N 3.03Å; S476-L525 WeakPolarHBondContact O-CB 3.46Å; S476-L525 WeakPolarHBondContact O-CG 3.44Å; S476-L525 PolarHBondContact O-N 3.28Å | ||
| 477 | S | 89.4 | Confident | 90.4 | Very high | 78 Ų | 78 | 50 Ų | 50 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | trans | -116.4 | 149.5 | -177.7 | 61 | 0 | 0 | 0 | 0 | 113.1 | F522 P523 | S477-F522 VanDerWaalsContact CA-O 3.24Å; S477-F522 WeakPolarHBondContact CA-O 3.28Å; S477-F522 VanDerWaalsContact CB-O 3.3Å; S477-F522 WeakPolarHBondContact CB-O 3.49Å; S477-P523 WeakPolarHBondContact CB-O 3.33Å | ||
| 478 | I | 93.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 150.8 | 176.1 | -170.8 | 171.3 | 0 | 0 | 0 | 110.8 | H470 L472 L480 R521 F522 L525 L553 | H470-I478 HydrophobicContact CB-CD1 3.51Å; H470-I478 VanDerWaalsContact CG-CD1 3.48Å; L472-I478 HydrophobicContact CD1-CB 3.8Å; L472-I478 HydrophobicContact CD1-CD1 3.88Å; L472-I478 HydrophobicContact CD1-CG1 4.23Å; L472-I478 HydrophobicContact CD1-CG2 4.41Å; I478-L480 HydrophobicContact CD1-CD2 3.68Å; I478-L480 HydrophobicContact CG1-CD2 4.13Å; I478-R521 CarbonylContact O-C 3.57Å; I478-R521 WeakPolarHBondContact O-CA 3.17Å; I478-F522 HydrophobicContact CG2-CB 4.09Å; I478-F522 HydrophobicContact CG2-CD2 3.85Å; I478-F522 HydrophobicContact CG2-CG 4.32Å; I478-F522 PolarHBondContact N-O 2.94Å; I478-F522 VanDerWaalsContact N-O 3.12Å; I478-F522 PolarHBondContact O-N 3.31Å; I478-L525 HydrophobicContact CB-CD1 4.46Å; I478-L525 HydrophobicContact CG2-CD1 3.87Å; I478-L525 HydrophobicContact CG2-CD2 3.9Å; I478-L525 HydrophobicContact CG2-CG 4.12Å; I478-L553 HydrophobicContact CD1-CD1 4.47Å; I478-L553 HydrophobicContact CG2-CD1 4.35Å |
| 479 | T | 92.2 | Very high | 90 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.2 | 163.6 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | T519 L520 R521 | T479-T519 HydrophobicContact CG2-CG2 4.22Å; T479-L520 WeakPolarHBondContact CA-O 3.15Å; T479-R521 HydrophobicContact CG2-CB 4.18Å; T479-R521 WeakPolarHBondContact OG1-CG 3.41Å |
| 480 | L | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 141.9 | 171.9 | -54.1 | -177.4 | 0 | 0 | 0 | 109.7 | I478 W496 T519 L520 F522 Y533 Q551 | I478-L480 HydrophobicContact CD1-CD2 3.68Å; I478-L480 HydrophobicContact CG1-CD2 4.13Å; L480-W496 HydrophobicContact CB-CH2 3.78Å; L480-W496 HydrophobicContact CB-CZ3 3.99Å; L480-W496 HydrophobicContact CD1-CZ3 4.38Å; L480-T519 CarbonylContact O-C 3.47Å; L480-T519 VanDerWaalsContact O-CA 3.25Å; L480-T519 WeakPolarHBondContact O-CA 3.29Å; L480-L520 HydrophobicContact CB-CB 4.33Å; L480-L520 PolarHBondContact N-O 2.86Å; L480-L520 PolarHBondContact O-N 3.19Å; L480-F522 HydrophobicContact CD1-CE2 4.18Å; L480-F522 HydrophobicContact CG-CE2 4.49Å; L480-Y533 HydrophobicContact CD1-CD1 4.08Å; L480-Y533 HydrophobicContact CD1-CD2 4.26Å; L480-Y533 HydrophobicContact CD1-CG 3.75Å; L480-Q551 VanDerWaalsContact CA-OE1 3.28Å; L480-Q551 HydrophobicContact CD1-CB 4.43Å; L480-Q551 HydrophobicContact CD2-CB 4.16Å; L480-Q551 HydrophobicContact CD2-CG 4.46Å |
| 481 | D | 92 | Very high | 89.1 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.2 | -177.8 | 167.6 | 33.1 | 0 | 0 | 0 | 110.7 | G483 T519 R549 Q551 | D481-G483 VanDerWaalsContact CG-N 3.34Å; D481-G483 PolarHBondContact O-N 3.21Å; D481-G483 PolarHBondContact OD1-N 3Å; D481-T519 HydrophobicContact CB-CG2 4.46Å; D481-R549 IonicContact OD2-CZ 2.66Å; D481-R549 IonicContact OD2-NH1 3.33Å; D481-R549 IonicContact OD2-NH2 3.84Å; D481-R549 PolarHBondContact OD2-NH2 3.03Å; D481-Q551 PolarHBondContact O-NE2 3.22Å |
| 482 | C | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -68.5 | -24.1 | 176.6 | -175 | 0 | 0 | 0 | 0 | 113.1 | I484 W496 E518 C535 R549 | C482-I484 HydrophobicContact CB-CD1 3.99Å; C482-I484 HydrophobicContact CB-CG1 4.28Å; C482-I484 WeakPolarHBondContact SG-CD1 3.47Å; C482-W496 HydrophobicContact CB-CH2 4.35Å; C482-W496 HydrophobicContact CB-CZ2 3.9Å; C482-E518 WeakPolarHBondContact CB-O 3.27Å; C482-E518 PolarHBondContact N-O 2.89Å; C482-C535 WeakPolarHBondContact CA-SG 3.37Å; C482-C535 HydrophobicContact CB-CB 3.64Å; C482-C535 WeakPolarHBondContact CB-SG 3.33Å; C482-C535 PolarHBondContact O-SG 2.97Å; C482-C535 WeakPolarHBondContact SG-CB 3.34Å; C482-C535 CovalentContact SG-SG 2.01Å; C482-C535 PolarHBondContact SG-SG 2.77Å; C482-R549 PolarHBondContact O-N 2.99Å | ||
| 483 | G | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | 78.1 | 22.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F461 Y462 D481 | F461-G483 CarbonylContact C-O 3.51Å; F461-G483 VanDerWaalsContact CA-O 3.28Å; F461-G483 WeakPolarHBondContact CA-O 3.41Å; F461-G483 WeakPolarHBondContact CB-O 3.05Å; Y462-G483 PolarHBondContact N-O 3.24Å; D481-G483 VanDerWaalsContact CG-N 3.34Å; D481-G483 PolarHBondContact O-N 3.21Å; D481-G483 PolarHBondContact OD1-N 3Å | ||
| 484 | I | 92.3 | Very high | 88.9 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.7 | 177.7 | -67.1 | 155 | 0 | 0 | 0 | 110 | F461 Y462 C482 R487 V494 E518 V537 | F461-I484 HydrophobicContact CD1-CG1 3.96Å; F461-I484 HydrophobicContact CE1-CG1 3.65Å; F461-I484 HydrophobicContact CZ-CG1 4.47Å; Y462-I484 WeakPolarHBondContact CE2-O 3.01Å; C482-I484 HydrophobicContact CB-CD1 3.99Å; C482-I484 HydrophobicContact CB-CG1 4.28Å; C482-I484 WeakPolarHBondContact SG-CD1 3.47Å; I484-R487 HydrophobicContact CG2-CB 4.18Å; I484-R487 HydrophobicContact CG2-CG 4.15Å; I484-V494 HydrophobicContact CD1-CG1 4.33Å; I484-V494 HydrophobicContact CD1-CG2 3.61Å; I484-E518 HydrophobicContact CD1-CG 3.91Å; I484-V537 HydrophobicContact CD1-CG2 3.69Å; I484-V537 HydrophobicContact CG1-CG2 4.03Å |
| 485 | K | 89.4 | Confident | 89.1 | Confident | 112 Ų | 112 | 44.6 Ų | 44.6 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -41 | 174.1 | 175.5 | -167.7 | 169.4 | -145.9 | 0 | 111.9 | E460 Y462 | E460-K485 HydrophobicContact CB-CB 4.24Å; E460-K485 HydrophobicContact CB-CD 4.29Å; E460-K485 WeakPolarHBondContact O-CA 3.43Å; E460-K485 PolarHBondContact O-N 3.25Å; E460-K485 IonicContact OE2-NZ 3.4Å; E460-K485 PolarHBondContact OE2-NZ 3.46Å; Y462-K485 HydrophobicContact CD1-CB 4Å; Y462-K485 HydrophobicContact CD1-CG 4.15Å; Y462-K485 HydrophobicContact CD2-CB 4.08Å; Y462-K485 HydrophobicContact CE1-CB 3.91Å; Y462-K485 HydrophobicContact CE1-CD 4.44Å; Y462-K485 HydrophobicContact CE1-CG 3.76Å; Y462-K485 HydrophobicContact CE2-CB 4Å; Y462-K485 HydrophobicContact CG-CB 4.08Å |
| 486 | K | 90 | Very high | 89.4 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 143.1 | 179.1 | -161.4 | -165.5 | 178.9 | -170.8 | 0 | 109.5 | E430 F457 P459 E460 | E430-K486 IonicContact OE1-NZ 3.62Å; E430-K486 PolarHBondContact OE1-NZ 3.21Å; E430-K486 IonicContact OE2-NZ 3.47Å; E430-K486 PolarHBondContact OE2-NZ 3.34Å; F457-K486 HydrophobicContact CE2-CD 3.66Å; F457-K486 HydrophobicContact CE2-CG 3.86Å; F457-K486 HydrophobicContact CZ-CD 4.1Å; F457-K486 HydrophobicContact CZ-CG 4.23Å; P459-K486 CarbonylContact C-O 3.55Å; P459-K486 WeakPolarHBondContact CA-O 3.35Å; E460-K486 HydrophobicContact CB-CB 3.97Å; E460-K486 HydrophobicContact CG-CB 4.17Å; E460-K486 PolarHBondContact N-O 3.08Å; E460-K486 PolarHBondContact O-N 3.46Å; E460-K486 VanDerWaalsContact O-N 3.07Å; E460-K486 VanDerWaalsContact OE1-CD 3.25Å; E460-K486 WeakPolarHBondContact OE1-CD 3.38Å |
| 487 | R | 91.2 | Very high | 89.4 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 9% | 0.087 | 22% | 0.218 | C | C | . | . | trans | -151.9 | 165.3 | 171.1 | 65.4 | -179.3 | 176.6 | 124.5 | -16.5 | 111.1 | F457 P459 I484 I489 S492 N516 E518 | F457-R487 VanDerWaalsContact CZ-C 3.49Å; F457-R487 WeakPolarHBondContact CZ-O 3.47Å; P459-R487 HydrophobicContact CB-CB 4.21Å; I484-R487 HydrophobicContact CG2-CB 4.18Å; I484-R487 HydrophobicContact CG2-CG 4.15Å; R487-I489 HydrophobicContact CG-CD1 4.04Å; R487-I489 HydrophobicContact CG-CG1 3.87Å; R487-I489 PolarHBondContact O-N 3.4Å; R487-S492 WeakPolarHBondContact CD-OG 3.31Å; R487-S492 WeakPolarHBondContact CG-OG 3.34Å; R487-S492 PolarHBondContact NH1-O 2.82Å; R487-S492 PolarHBondContact NH1-OG 3.21Å; R487-N516 PolarHBondContact NH2-O 2.89Å; R487-N516 VanDerWaalsContact NH2-O 3.1Å; R487-E518 IonicContact CZ-OE1 3.47Å; R487-E518 IonicContact NE-OE1 3.52Å; R487-E518 PolarHBondContact NE-OE1 2.83Å; R487-E518 IonicContact NH2-OE1 3.3Å; R487-E518 PolarHBondContact NH2-OE1 2.82Å | ||
| 488 | S | 89.2 | Confident | 89.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -70.8 | 119.5 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | N456 F457 P490 S492 | N456-S488 WeakPolarHBondContact CA-OG 3.34Å; N456-S488 WeakPolarHBondContact OD1-CB 3.46Å; F457-S488 WeakPolarHBondContact CD1-OG 3.39Å; F457-S488 PolarHBondContact N-OG 3.33Å; F457-S488 PolarHBondContact O-OG 3.11Å; S488-P490 CarbonylContact C-O 3.52Å; S488-P490 CarbonylContact O-C 3.59Å; S488-S492 WeakPolarHBondContact O-CB 3.44Å; S488-S492 PolarHBondContact O-N 2.96Å; S488-S492 PolarHBondContact O-OG 2.82Å | ||
| 489 | I | 81.2 | Confident | 89.2 | Confident | 109 Ų | 109 | 41.1 Ų | 41.1 | 56% | 0.559 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | 117.6 | 176.5 | -54.7 | -177.6 | 0 | 0 | 0 | 109.1 | R487 | R487-I489 HydrophobicContact CG-CD1 4.04Å; R487-I489 HydrophobicContact CG-CG1 3.87Å; R487-I489 PolarHBondContact O-N 3.4Å |
| 490 | P | 79.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 46 Ų | 46 | 59% | 0.591 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -65.4 | -179.6 | -8.7 | 30.9 | -35.3 | 0 | 0 | 0 | 112.1 | L454 S488 | L454-P490 HydrophobicContact CD1-CG 3.83Å; L454-P490 HydrophobicContact CD2-CB 4.41Å; L454-P490 HydrophobicContact CD2-CG 4.02Å; S488-P490 CarbonylContact C-O 3.52Å; S488-P490 CarbonylContact O-C 3.59Å |
| 491 | G | 81.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | 4.4 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | N456 T539 D540 | N456-G491 PolarHBondContact ND2-O 3.49Å; G491-T539 CarbonylContact O-C 3.55Å; G491-T539 WeakPolarHBondContact O-CA 3.25Å; G491-T539 WeakPolarHBondContact O-CG2 3.24Å; G491-D540 WeakPolarHBondContact CA-OD2 3.38Å; G491-D540 PolarHBondContact O-N 3.11Å |
| 492 | S | 89.1 | Confident | 88 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.7 | 163.3 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | R487 S488 Q538 | R487-S492 WeakPolarHBondContact CD-OG 3.31Å; R487-S492 WeakPolarHBondContact CG-OG 3.34Å; R487-S492 PolarHBondContact NH1-O 2.82Å; R487-S492 PolarHBondContact NH1-OG 3.21Å; S488-S492 WeakPolarHBondContact O-CB 3.44Å; S488-S492 PolarHBondContact O-N 2.96Å; S488-S492 PolarHBondContact O-OG 2.82Å; S492-Q538 CarbonylContact C-O 3.58Å; S492-Q538 VanDerWaalsContact CA-O 3.28Å; S492-Q538 WeakPolarHBondContact CA-O 2.97Å |
| 493 | I | 88.9 | Confident | 87.4 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.4 | 173.6 | 60.3 | 173.2 | 0 | 0 | 0 | 109.8 | V537 Q538 | I493-V537 WeakPolarHBondContact O-CA 3.48Å; I493-Q538 HydrophobicContact CD1-CB 4.26Å; I493-Q538 HydrophobicContact CG1-CB 3.8Å; I493-Q538 PolarHBondContact N-O 3.03Å; I493-Q538 PolarHBondContact O-N 2.79Å |
| 494 | V | 90.5 | Very high | 86.2 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.4 | 167.8 | -172.9 | 0 | 0 | 0 | 0 | 107.3 | I484 G517 E518 C535 F536 V537 | I484-V494 HydrophobicContact CD1-CG1 4.33Å; I484-V494 HydrophobicContact CD1-CG2 3.61Å; V494-G517 VanDerWaalsContact CG1-O 3.3Å; V494-G517 WeakPolarHBondContact CG1-O 3.49Å; V494-E518 HydrophobicContact CG2-CG 4.33Å; V494-C535 HydrophobicContact CG1-CB 4.22Å; V494-F536 WeakPolarHBondContact CA-O 3.1Å; V494-V537 HydrophobicContact CG2-CG2 4.28Å |
| 495 | Y | 90.1 | Very high | 84.3 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.2 | 167.5 | 61.8 | -85.1 | 0 | 0 | 0 | 109.2 | E497 V502 C535 F536 Q538 R545 | Y495-E497 HydrophobicContact CD2-CG 4.31Å; Y495-E497 HydrophobicContact CE2-CG 4.13Å; Y495-V502 HydrophobicContact CD2-CG1 4.06Å; Y495-V502 HydrophobicContact CD2-CG2 4.05Å; Y495-V502 HydrophobicContact CE2-CG2 4.02Å; Y495-C535 CarbonylContact O-C 3.57Å; Y495-C535 WeakPolarHBondContact O-CA 3.25Å; Y495-F536 HydrophobicContact CD1-CB 4.33Å; Y495-F536 HydrophobicContact CD2-CB 4.13Å; Y495-F536 HydrophobicContact CE1-CB 3.84Å; Y495-F536 HydrophobicContact CE2-CB 3.63Å; Y495-F536 HydrophobicContact CE2-CD2 4.22Å; Y495-F536 HydrophobicContact CE2-CG 4.12Å; Y495-F536 HydrophobicContact CG-CB 4.47Å; Y495-F536 VanDerWaalsContact CZ-CB 3.47Å; Y495-F536 PolarHBondContact N-O 2.93Å; Y495-F536 PolarHBondContact O-N 3.45Å; Y495-Q538 HydrophobicContact CE1-CB 4.23Å; Y495-R545 WeakPolarHBondContact OH-CD 3.38Å; Y495-R545 PolarHBondContact OH-NH1 3.34Å; Y495-R545 VanDerWaalsContact OH-NH1 3.15Å |
| 496 | W | 91 | Very high | 82.6 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.4 | 178.2 | -72.2 | 77.5 | 0 | 0 | 0 | 109.2 | L480 C482 L503 G517 L520 C535 | L480-W496 HydrophobicContact CB-CH2 3.78Å; L480-W496 HydrophobicContact CB-CZ3 3.99Å; L480-W496 HydrophobicContact CD1-CZ3 4.38Å; C482-W496 HydrophobicContact CB-CH2 4.35Å; C482-W496 HydrophobicContact CB-CZ2 3.9Å; W496-L503 HydrophobicContact CB-CD1 3.84Å; W496-L503 WeakPolarHBondContact O-CB 3.45Å; W496-L503 PolarHBondContact O-N 2.83Å; W496-G517 PolarHBondContact NE1-O 2.67Å; W496-L520 HydrophobicContact CB-CD2 4.25Å; W496-L520 HydrophobicContact CD2-CB 3.99Å; W496-L520 HydrophobicContact CD2-CD2 3.89Å; W496-L520 HydrophobicContact CD2-CG 4.44Å; W496-L520 HydrophobicContact CE3-CB 4.39Å; W496-L520 HydrophobicContact CE3-CD2 4.01Å; W496-L520 HydrophobicContact CG-CB 4.48Å; W496-L520 HydrophobicContact CG-CD1 4.43Å; W496-L520 HydrophobicContact CG-CD2 4.01Å; W496-L520 HydrophobicContact CH2-CB 4.27Å; W496-L520 HydrophobicContact CZ2-CB 3.86Å; W496-C535 HydrophobicContact CD2-CB 3.71Å; W496-C535 HydrophobicContact CE3-CB 3.93Å; W496-C535 HydrophobicContact CG-CB 4.26Å; W496-C535 HydrophobicContact CH2-CB 4.12Å; W496-C535 HydrophobicContact CZ2-CB 3.89Å; W496-C535 HydrophobicContact CZ3-CB 4.13Å |
| 497 | E | 90.7 | Very high | 80.6 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.093 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.6 | 166 | -61.1 | -171 | 157.2 | 0 | 0 | 109.4 | Y495 R501 V502 Y533 Q534 F536 R545 | Y495-E497 HydrophobicContact CD2-CG 4.31Å; Y495-E497 HydrophobicContact CE2-CG 4.13Å; E497-R501 CarbonylContact C-O 3.59Å; E497-R501 WeakPolarHBondContact CA-O 3.4Å; E497-V502 HydrophobicContact CG-CG2 4.07Å; E497-Y533 WeakPolarHBondContact O-CA 3.47Å; E497-Q534 PolarHBondContact N-O 2.82Å; E497-Q534 PolarHBondContact O-N 3.09Å; E497-F536 HydrophobicContact CB-CD2 4.22Å; E497-F536 HydrophobicContact CB-CE2 3.9Å; E497-F536 HydrophobicContact CG-CD2 3.7Å; E497-F536 HydrophobicContact CG-CE2 3.7Å; E497-F536 WeakPolarHBondContact OE2-CE2 3.16Å; E497-R545 VanDerWaalsContact CD-NH1 3.35Å; E497-R545 IonicContact OE1-CZ 3.81Å; E497-R545 IonicContact OE1-NH1 2.73Å; E497-R545 PolarHBondContact OE1-NH1 3.24Å; E497-R545 IonicContact OE1-NH2 3.6Å; E497-R545 PolarHBondContact OE1-NH2 3.44Å; E497-R545 IonicContact OE2-CZ 3.34Å; E497-R545 IonicContact OE2-NH1 2.75Å; E497-R545 IonicContact OE2-NH2 3.66Å; E497-R545 PolarHBondContact OE2-NH2 3.26Å |
| 498 | K | 89.6 | Confident | 78.3 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.6 | 167.4 | 179.9 | -171.5 | -170.4 | -69.5 | 0 | 107.9 | Q500 R501 L503 E528 Q530 Q532 Y533 | K498-Q500 PolarHBondContact O-N 3.22Å; K498-R501 PolarHBondContact N-O 2.64Å; K498-R501 WeakPolarHBondContact O-CB 3.49Å; K498-R501 PolarHBondContact O-N 3.39Å; K498-L503 HydrophobicContact CB-CD1 4.17Å; K498-L503 HydrophobicContact CB-CD2 3.59Å; K498-L503 HydrophobicContact CB-CG 3.9Å; K498-L503 HydrophobicContact CD-CD2 4.18Å; K498-E528 WeakPolarHBondContact CE-O 3.47Å; K498-E528 PolarHBondContact NZ-O 2.96Å; K498-Q530 WeakPolarHBondContact CE-O 3.44Å; K498-Q530 PolarHBondContact NZ-O 2.91Å; K498-Q532 CarbonylContact C-O 3.58Å; K498-Q532 VanDerWaalsContact CA-O 3.3Å; K498-Q532 WeakPolarHBondContact CA-O 3.24Å; K498-Y533 HydrophobicContact CB-CD1 4.29Å; K498-Y533 HydrophobicContact CB-CE1 4.03Å; K498-Y533 HydrophobicContact CD-CE1 4.16Å; K498-Y533 HydrophobicContact CD-CE2 4.13Å; K498-Y533 VanDerWaalsContact CD-OH 3.27Å; K498-Y533 WeakPolarHBondContact CD-OH 3.16Å; K498-Y533 WeakPolarHBondContact CE-OH 3.35Å; K498-Y533 HydrophobicContact CG-CD2 4.43Å; K498-Y533 HydrophobicContact CG-CE1 4.07Å; K498-Y533 HydrophobicContact CG-CE2 3.88Å |
| 499 | D | 87.3 | Confident | 76.7 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 43.3 | 179.3 | -49.6 | -47.7 | 0 | 0 | 0 | 112.5 | R501 G531 Q532 | D499-R501 VanDerWaalsContact C-N 3.29Å; D499-R501 PolarHBondContact O-N 2.85Å; D499-G531 WeakPolarHBondContact OD1-CA 3.33Å; D499-Q532 PolarHBondContact N-O 2.86Å; D499-Q532 PolarHBondContact OD1-N 3.22Å |
| 500 | Q | 84 | Confident | 75.9 | Confident | 167 Ų | 167 | 84.2 Ų | 84.2 | 78% | 0.78 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 24.8 | -175.4 | -52.2 | 176.3 | 8.1 | 0 | 0 | 115 | K498 | K498-Q500 PolarHBondContact O-N 3.22Š|
| 501 | R | 85.4 | Confident | 75.8 | Confident | 197 Ų | 197 | 81 Ų | 81 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.6 | 174.8 | -59 | 178.2 | 179.4 | -172.5 | -1.3 | 110.8 | E497 K498 D499 L503 | E497-R501 CarbonylContact C-O 3.59Å; E497-R501 WeakPolarHBondContact CA-O 3.4Å; K498-R501 PolarHBondContact N-O 2.64Å; K498-R501 WeakPolarHBondContact O-CB 3.49Å; K498-R501 PolarHBondContact O-N 3.39Å; D499-R501 VanDerWaalsContact C-N 3.29Å; D499-R501 PolarHBondContact O-N 2.85Å; R501-L503 PolarHBondContact O-N 3.44Å |
| 502 | V | 84.3 | Confident | 75.7 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 131.2 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | Y495 E497 E504 | Y495-V502 HydrophobicContact CD2-CG1 4.06Å; Y495-V502 HydrophobicContact CD2-CG2 4.05Å; Y495-V502 HydrophobicContact CE2-CG2 4.02Å; E497-V502 HydrophobicContact CG-CG2 4.07Å; V502-E504 PolarHBondContact O-N 2.96Å |
| 503 | L | 78.3 | Confident | 75.5 | Confident | 34 Ų | 34 | 86.4 Ų | 86.4 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | trans | -77.8 | 110.8 | 173.6 | -71.6 | 174.2 | 0 | 0 | 0 | 110.2 | W496 K498 R501 M511 L520 Y533 | W496-L503 HydrophobicContact CB-CD1 3.84Å; W496-L503 WeakPolarHBondContact O-CB 3.45Å; W496-L503 PolarHBondContact O-N 2.83Å; K498-L503 HydrophobicContact CB-CD1 4.17Å; K498-L503 HydrophobicContact CB-CD2 3.59Å; K498-L503 HydrophobicContact CB-CG 3.9Å; K498-L503 HydrophobicContact CD-CD2 4.18Å; R501-L503 PolarHBondContact O-N 3.44Å; L503-M511 HydrophobicContact CD1-CE 4.38Å; L503-M511 HydrophobicContact CD1-SD 4.4Å; L503-L520 HydrophobicContact CD1-CD2 3.89Å; L503-Y533 HydrophobicContact CD1-CD1 3.84Å; L503-Y533 HydrophobicContact CD1-CE1 3.61Å | ||
| 504 | E | 65.9 | Low | 75.2 | Confident | 127 Ų | 127 | 84.2 Ų | 84.2 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | trans | -71.1 | 154.8 | 167.7 | -59.4 | -168.8 | 153.4 | 0 | 0 | 110.6 | V502 Y506 | V502-E504 PolarHBondContact O-N 2.96Å; E504-Y506 PolarHBondContact O-N 2.8Å | ||
| 505 | K | 53.7 | Low | 74.8 | Confident | 180 Ų | 180 | 88.1 Ų | 88.1 | 78% | 0.783 | 44% | 0.437 | S | S | * | . | trans | -75.9 | 97.3 | -173.6 | -70.3 | -179.5 | 179.3 | 176.2 | 0 | 111.5 | P507 L513 | K505-P507 VanDerWaalsContact O-CD 3.23Å; K505-P507 WeakPolarHBondContact O-CD 3.4Å; K505-L513 HydrophobicContact CG-CD1 4.33Å | ||
| 506 | Y | 53.4 | Low | 74.2 | Confident | 159 Ų | 159 | 92.1 Ų | 92.1 | 62% | 0.624 | 46% | 0.461 | S | S | * | . | trans | -56.6 | 119.3 | 167.7 | -72.5 | -80.6 | 0 | 0 | 0 | 111.3 | E504 N508 M511 | E504-Y506 PolarHBondContact O-N 2.8Å; Y506-N508 VanDerWaalsContact C-N 3.33Å; Y506-N508 PolarHBondContact O-N 3Å; Y506-M511 HydrophobicContact CD2-CE 4.15Å | ||
| 507 | P | 46.6 | Very low | 73.8 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | trans | -76 | -14.6 | -175.8 | -20.9 | 35.1 | 0 | 0 | 0 | 115.3 | K505 C1194 | K505-P507 VanDerWaalsContact O-CD 3.23Å; K505-P507 WeakPolarHBondContact O-CD 3.4Å; P507-C1194 HydrophobicContact CG-CB 4.03Å | ||
| 508 | N | 44.7 | Very low | 73.7 | Confident | 129 Ų | 129 | 93.7 Ų | 93.7 | 69% | 0.69 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -120.2 | 90.7 | -165.3 | -72.1 | -30.5 | 0 | 0 | 0 | 113.1 | Y506 L510 | Y506-N508 VanDerWaalsContact C-N 3.33Å; Y506-N508 PolarHBondContact O-N 3Å; N508-L510 PolarHBondContact O-N 2.78Å |
| 509 | S | 54.7 | Low | 73.8 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 77% | 0.769 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 53.9 | -10.6 | 152.5 | -154.8 | 0 | 0 | 0 | 0 | 121.9 | ||
| 510 | L | 65.3 | Low | 73.9 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 40% | 0.403 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -83.7 | -26.5 | -175.4 | -68.4 | 169.5 | 0 | 0 | 0 | 113.5 | N508 P523 K526 | N508-L510 PolarHBondContact O-N 2.78Å; L510-P523 WeakPolarHBondContact O-CD 3.29Å; L510-K526 HydrophobicContact CD2-CG 4.18Å |
| 511 | M | 77.3 | Confident | 74.2 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 12% | 0.118 | 43% | 0.432 | C | S | . | . | trans | -146.7 | 139.9 | -179.1 | -171.5 | -176.5 | 69.4 | 0 | 0 | 109.6 | L503 Y506 L520 R521 F522 | L503-M511 HydrophobicContact CD1-CE 4.38Å; L503-M511 HydrophobicContact CD1-SD 4.4Å; Y506-M511 HydrophobicContact CD2-CE 4.15Å; M511-L520 HydrophobicContact CE-CD1 3.9Å; M511-L520 HydrophobicContact CG-CD1 3.93Å; M511-L520 HydrophobicContact CG-CG 4.12Å; M511-L520 HydrophobicContact SD-CD1 3.63Å; M511-L520 HydrophobicContact SD-CD2 3.85Å; M511-L520 HydrophobicContact SD-CG 3.8Å; M511-R521 CarbonylContact C-O 3.59Å; M511-R521 VanDerWaalsContact CA-O 3.31Å; M511-R521 WeakPolarHBondContact CA-O 3.33Å; M511-F522 HydrophobicContact CB-CD1 4.24Å; M511-F522 HydrophobicContact CB-CE1 4.18Å; M511-F522 HydrophobicContact CG-CD1 4.06Å; M511-F522 HydrophobicContact CG-CE1 3.76Å; M511-F522 HydrophobicContact CG-CE2 4.38Å; M511-F522 HydrophobicContact CG-CG 4.49Å; M511-F522 HydrophobicContact CG-CZ 3.92Å; M511-F522 HydrophobicContact SD-CD1 4.46Å; M511-F522 HydrophobicContact SD-CE1 3.58Å; M511-F522 VanDerWaalsContact SD-CE1 3.58Å; M511-F522 HydrophobicContact SD-CE2 4.3Å; M511-F522 HydrophobicContact SD-CZ 3.47Å; M511-F522 WeakPolarHBondContact SD-CZ 3.45Å | ||
| 512 | V | 79.8 | Confident | 74.4 | Confident | 60 Ų | 60 | 77 Ų | 77 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.3 | -174.6 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | E514 R521 P523 | V512-E514 HydrophobicContact CG1-CG 3.98Å; V512-E514 PolarHBondContact O-N 2.94Å; V512-R521 HydrophobicContact CB-CB 4.42Å; V512-R521 PolarHBondContact N-O 3.4Å; V512-R521 PolarHBondContact O-N 2.77Å; V512-P523 HydrophobicContact CG2-CG 4.17Å |
| 513 | L | 84.2 | Confident | 74.6 | Confident | 75 Ų | 75 | 75.7 Ų | 75.7 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 104.1 | 169.2 | -76.3 | 150.6 | 0 | 0 | 0 | 108.7 | K505 L520 | K505-L513 HydrophobicContact CG-CD1 4.33Å; L513-L520 HydrophobicContact CD2-CD1 3.54Å; L513-L520 HydrophobicContact CG-CD1 3.83Å |
| 514 | E | 82.1 | Confident | 74.9 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 167.6 | 175 | -67.3 | 178.2 | 159.8 | 0 | 0 | 110.1 | V512 N516 G517 E518 T519 R521 | V512-E514 HydrophobicContact CG1-CG 3.98Å; V512-E514 PolarHBondContact O-N 2.94Å; E514-N516 PolarHBondContact O-N 2.68Å; E514-G517 PolarHBondContact O-N 2.7Å; E514-E518 PolarHBondContact O-N 3.15Å; E514-T519 WeakPolarHBondContact CB-OG1 3.41Å; E514-T519 PolarHBondContact N-O 3.05Å; E514-T519 PolarHBondContact O-OG1 3.09Å; E514-R521 VanDerWaalsContact CD-CD 3.49Å; E514-R521 WeakPolarHBondContact OE1-CD 3.49Å; E514-R521 IonicContact OE1-CZ 3.62Å; E514-R521 IonicContact OE1-NE 2.74Å; E514-R521 IonicContact OE1-NH1 3.82Å; E514-R521 PolarHBondContact OE1-NH1 2.83Å; E514-R521 IonicContact OE2-NH1 2.76Å |
| 515 | N | 81.8 | Confident | 76 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | 47.8 | 53.7 | 172.6 | -57.4 | -42.9 | 0 | 0 | 0 | 115.2 | G517 E518 T519 | N515-G517 PolarHBondContact O-N 3.35Å; N515-G517 VanDerWaalsContact O-N 3.08Å; N515-E518 HydrophobicContact CB-CB 4.13Å; N515-E518 VanDerWaalsContact O-CB 3.29Å; N515-E518 WeakPolarHBondContact O-CB 3.12Å; N515-E518 VanDerWaalsContact O-CG 3.24Å; N515-E518 WeakPolarHBondContact O-CG 3.3Å; N515-E518 PolarHBondContact O-N 3.39Å; N515-T519 PolarHBondContact ND2-OG1 3.39Å |
| 516 | N | 77.9 | Confident | 77.5 | Confident | 132 Ų | 132 | 66.1 Ų | 66.1 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | 52.2 | 32.8 | -178.5 | -65.1 | -28.7 | 0 | 0 | 0 | 114.1 | R487 E514 | R487-N516 PolarHBondContact NH2-O 2.89Å; R487-N516 VanDerWaalsContact NH2-O 3.1Å; E514-N516 PolarHBondContact O-N 2.68Å |
| 517 | G | 83.5 | Confident | 79 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | 90.8 | -1.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V494 W496 E514 N515 T519 | V494-G517 VanDerWaalsContact CG1-O 3.3Å; V494-G517 WeakPolarHBondContact CG1-O 3.49Å; W496-G517 PolarHBondContact NE1-O 2.67Å; E514-G517 PolarHBondContact O-N 2.7Å; N515-G517 PolarHBondContact O-N 3.35Å; N515-G517 VanDerWaalsContact O-N 3.08Å; G517-T519 VanDerWaalsContact C-N 3.27Å; G517-T519 PolarHBondContact O-N 2.68Å |
| 518 | E | 89 | Confident | 80.7 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.9 | -178.4 | -65.9 | 166.4 | -165.5 | 0 | 0 | 113.1 | C482 I484 R487 V494 E514 N515 | C482-E518 WeakPolarHBondContact CB-O 3.27Å; C482-E518 PolarHBondContact N-O 2.89Å; I484-E518 HydrophobicContact CD1-CG 3.91Å; R487-E518 IonicContact CZ-OE1 3.47Å; R487-E518 IonicContact NE-OE1 3.52Å; R487-E518 PolarHBondContact NE-OE1 2.83Å; R487-E518 IonicContact NH2-OE1 3.3Å; R487-E518 PolarHBondContact NH2-OE1 2.82Å; V494-E518 HydrophobicContact CG2-CG 4.33Å; E514-E518 PolarHBondContact O-N 3.15Å; N515-E518 HydrophobicContact CB-CB 4.13Å; N515-E518 VanDerWaalsContact O-CB 3.29Å; N515-E518 WeakPolarHBondContact O-CB 3.12Å; N515-E518 VanDerWaalsContact O-CG 3.24Å; N515-E518 WeakPolarHBondContact O-CG 3.3Å; N515-E518 PolarHBondContact O-N 3.39Å |
| 519 | T | 90 | Very high | 82.8 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.5 | -179.8 | 42.8 | 0 | 0 | 0 | 0 | 111.2 | T479 L480 D481 E514 N515 G517 | T479-T519 HydrophobicContact CG2-CG2 4.22Å; L480-T519 CarbonylContact O-C 3.47Å; L480-T519 VanDerWaalsContact O-CA 3.25Å; L480-T519 WeakPolarHBondContact O-CA 3.29Å; D481-T519 HydrophobicContact CB-CG2 4.46Å; E514-T519 WeakPolarHBondContact CB-OG1 3.41Å; E514-T519 PolarHBondContact N-O 3.05Å; E514-T519 PolarHBondContact O-OG1 3.09Å; N515-T519 PolarHBondContact ND2-OG1 3.39Å; G517-T519 VanDerWaalsContact C-N 3.27Å; G517-T519 PolarHBondContact O-N 2.68Å |
| 520 | L | 90.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.1 | -175.7 | -168.7 | 72.1 | 0 | 0 | 0 | 110.3 | T479 L480 W496 L503 M511 L513 F522 Y533 | T479-L520 WeakPolarHBondContact CA-O 3.15Å; L480-L520 HydrophobicContact CB-CB 4.33Å; L480-L520 PolarHBondContact N-O 2.86Å; L480-L520 PolarHBondContact O-N 3.19Å; W496-L520 HydrophobicContact CB-CD2 4.25Å; W496-L520 HydrophobicContact CD2-CB 3.99Å; W496-L520 HydrophobicContact CD2-CD2 3.89Å; W496-L520 HydrophobicContact CD2-CG 4.44Å; W496-L520 HydrophobicContact CE3-CB 4.39Å; W496-L520 HydrophobicContact CE3-CD2 4.01Å; W496-L520 HydrophobicContact CG-CB 4.48Å; W496-L520 HydrophobicContact CG-CD1 4.43Å; W496-L520 HydrophobicContact CG-CD2 4.01Å; W496-L520 HydrophobicContact CH2-CB 4.27Å; W496-L520 HydrophobicContact CZ2-CB 3.86Å; L503-L520 HydrophobicContact CD1-CD2 3.89Å; M511-L520 HydrophobicContact CE-CD1 3.9Å; M511-L520 HydrophobicContact CG-CD1 3.93Å; M511-L520 HydrophobicContact CG-CG 4.12Å; M511-L520 HydrophobicContact SD-CD1 3.63Å; M511-L520 HydrophobicContact SD-CD2 3.85Å; M511-L520 HydrophobicContact SD-CG 3.8Å; L513-L520 HydrophobicContact CD2-CD1 3.54Å; L513-L520 HydrophobicContact CG-CD1 3.83Å; L520-F522 HydrophobicContact CD2-CE2 4.06Å; L520-F522 HydrophobicContact CD2-CZ 4.12Å; L520-F522 HydrophobicContact CG-CE2 4.14Å; L520-F522 HydrophobicContact CG-CZ 4.45Å; L520-Y533 HydrophobicContact CD2-CD1 3.66Å; L520-Y533 HydrophobicContact CD2-CE1 3.92Å |
| 521 | R | 89.6 | Confident | 85.7 | Confident | 104 Ų | 104 | 51.8 Ų | 51.8 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.2 | -171.9 | -178.8 | 175 | -176.1 | 179.6 | 2.8 | 112.5 | I478 T479 M511 V512 E514 | I478-R521 CarbonylContact O-C 3.57Å; I478-R521 WeakPolarHBondContact O-CA 3.17Å; T479-R521 HydrophobicContact CG2-CB 4.18Å; T479-R521 WeakPolarHBondContact OG1-CG 3.41Å; M511-R521 CarbonylContact C-O 3.59Å; M511-R521 VanDerWaalsContact CA-O 3.31Å; M511-R521 WeakPolarHBondContact CA-O 3.33Å; V512-R521 HydrophobicContact CB-CB 4.42Å; V512-R521 PolarHBondContact N-O 3.4Å; V512-R521 PolarHBondContact O-N 2.77Å; E514-R521 VanDerWaalsContact CD-CD 3.49Å; E514-R521 WeakPolarHBondContact OE1-CD 3.49Å; E514-R521 IonicContact OE1-CZ 3.62Å; E514-R521 IonicContact OE1-NE 2.74Å; E514-R521 IonicContact OE1-NH1 3.82Å; E514-R521 PolarHBondContact OE1-NH1 2.83Å; E514-R521 IonicContact OE2-NH1 2.76Å |
| 522 | F | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.7 | 170.7 | -61.5 | -96.6 | 0 | 0 | 0 | 108.3 | S477 I478 L480 M511 L520 L525 D529 Y533 L553 | S477-F522 VanDerWaalsContact CA-O 3.24Å; S477-F522 WeakPolarHBondContact CA-O 3.28Å; S477-F522 VanDerWaalsContact CB-O 3.3Å; S477-F522 WeakPolarHBondContact CB-O 3.49Å; I478-F522 HydrophobicContact CG2-CB 4.09Å; I478-F522 HydrophobicContact CG2-CD2 3.85Å; I478-F522 HydrophobicContact CG2-CG 4.32Å; I478-F522 PolarHBondContact N-O 2.94Å; I478-F522 VanDerWaalsContact N-O 3.12Å; I478-F522 PolarHBondContact O-N 3.31Å; L480-F522 HydrophobicContact CD1-CE2 4.18Å; L480-F522 HydrophobicContact CG-CE2 4.49Å; M511-F522 HydrophobicContact CB-CD1 4.24Å; M511-F522 HydrophobicContact CB-CE1 4.18Å; M511-F522 HydrophobicContact CG-CD1 4.06Å; M511-F522 HydrophobicContact CG-CE1 3.76Å; M511-F522 HydrophobicContact CG-CE2 4.38Å; M511-F522 HydrophobicContact CG-CG 4.49Å; M511-F522 HydrophobicContact CG-CZ 3.92Å; M511-F522 HydrophobicContact SD-CD1 4.46Å; M511-F522 HydrophobicContact SD-CE1 3.58Å; M511-F522 VanDerWaalsContact SD-CE1 3.58Å; M511-F522 HydrophobicContact SD-CE2 4.3Å; M511-F522 HydrophobicContact SD-CZ 3.47Å; M511-F522 WeakPolarHBondContact SD-CZ 3.45Å; L520-F522 HydrophobicContact CD2-CE2 4.06Å; L520-F522 HydrophobicContact CD2-CZ 4.12Å; L520-F522 HydrophobicContact CG-CE2 4.14Å; L520-F522 HydrophobicContact CG-CZ 4.45Å; F522-L525 HydrophobicContact CB-CD2 3.64Å; F522-L525 HydrophobicContact CB-CG 4.08Å; F522-L525 HydrophobicContact CD1-CD2 4Å; F522-L525 HydrophobicContact CD2-CD2 4.26Å; F522-L525 HydrophobicContact CG-CD2 3.7Å; F522-D529 HydrophobicContact CD1-CB 4.06Å; F522-D529 HydrophobicContact CE1-CB 3.81Å; F522-Y533 HydrophobicContact CE2-CE1 4.32Å; F522-Y533 HydrophobicContact CZ-CD1 4.45Å; F522-Y533 AromaticContact CZ-CE1 3.61Å; F522-Y533 HydrophobicContact CZ-CE1 3.61Å; F522-Y533 AromaticContact CZ-CZ 3.75Å; F522-L553 HydrophobicContact CD2-CD2 4.28Å; F522-L553 HydrophobicContact CE2-CD2 4Å; F522-L553 HydrophobicContact CZ-CD2 4.2Å |
| 523 | P | 87.4 | Confident | 87.1 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -70.9 | -33.5 | 175.4 | -21.1 | 35.5 | 0 | 0 | 0 | 113.1 | S477 L510 V512 | S477-P523 WeakPolarHBondContact CB-O 3.33Å; L510-P523 WeakPolarHBondContact O-CD 3.29Å; V512-P523 HydrophobicContact CG2-CG 4.17Å |
| 524 | E | 85.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 50.3 Ų | 50.3 | 48% | 0.477 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -140.2 | 107.2 | 173.3 | -68.2 | -178.3 | -165.6 | 0 | 0 | 109.6 | K526 | E524-K526 PolarHBondContact O-N 2.81Å; E524-K526 WeakPolarHBondContact OE2-CE 3.5Å; E524-K526 IonicContact OE2-NZ 3.37Å; E524-K526 PolarHBondContact OE2-NZ 2.93Å |
| 525 | L | 88.1 | Confident | 88 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -67.1 | 120.7 | 178.7 | -77.8 | 171.3 | 0 | 0 | 0 | 111.9 | L472 D475 S476 I478 F522 D529 L553 V555 | L472-L525 HydrophobicContact CB-CD1 3.87Å; L472-L525 HydrophobicContact CD1-CD1 3.71Å; L472-L525 HydrophobicContact CG-CD1 4.43Å; D475-L525 PolarHBondContact N-O 3.04Å; S476-L525 WeakPolarHBondContact O-CB 3.46Å; S476-L525 WeakPolarHBondContact O-CG 3.44Å; S476-L525 PolarHBondContact O-N 3.28Å; I478-L525 HydrophobicContact CB-CD1 4.46Å; I478-L525 HydrophobicContact CG2-CD1 3.87Å; I478-L525 HydrophobicContact CG2-CD2 3.9Å; I478-L525 HydrophobicContact CG2-CG 4.12Å; F522-L525 HydrophobicContact CB-CD2 3.64Å; F522-L525 HydrophobicContact CB-CG 4.08Å; F522-L525 HydrophobicContact CD1-CD2 4Å; F522-L525 HydrophobicContact CD2-CD2 4.26Å; F522-L525 HydrophobicContact CG-CD2 3.7Å; L525-D529 HydrophobicContact CD2-CB 4.11Å; L525-L553 HydrophobicContact CD1-CD1 4.1Å; L525-L553 HydrophobicContact CD2-CD1 4.02Å; L525-L553 HydrophobicContact CD2-CD2 3.68Å; L525-L553 HydrophobicContact CD2-CG 4.28Å; L525-V555 HydrophobicContact CB-CG1 4.26Å; L525-V555 HydrophobicContact CB-CG2 4.33Å; L525-V555 HydrophobicContact CD2-CG2 4.17Å | ||
| 526 | K | 86 | Confident | 88.6 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | trans | -100.6 | 153 | 173 | -53 | -56.1 | 164.8 | -176.5 | 0 | 110.5 | D475 L510 E524 E528 D529 | D475-K526 IonicContact OD1-NZ 2.71Å; D475-K526 PolarHBondContact OD1-NZ 2.04Å; L510-K526 HydrophobicContact CD2-CG 4.18Å; E524-K526 PolarHBondContact O-N 2.81Å; E524-K526 WeakPolarHBondContact OE2-CE 3.5Å; E524-K526 IonicContact OE2-NZ 3.37Å; E524-K526 PolarHBondContact OE2-NZ 2.93Å; K526-E528 HydrophobicContact CB-CG 4.32Å; K526-E528 PolarHBondContact O-N 3.29Å; K526-D529 PolarHBondContact N-OD2 3.01Å; K526-D529 WeakPolarHBondContact O-CB 3.37Å; K526-D529 PolarHBondContact O-N 3.17Å | ||
| 527 | P | 83.9 | Confident | 89.3 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 3.4 | -175.6 | -29.2 | 41.5 | 0 | 0 | 0 | 116.9 | E474 A557 R583 | E474-P527 VanDerWaalsContact CD-CD 3.47Å; E474-P527 HydrophobicContact CG-CG 3.86Å; E474-P527 WeakPolarHBondContact OE2-CG 3.41Å; P527-A557 HydrophobicContact CB-CB 3.69Å; P527-A557 HydrophobicContact CG-CB 3.59Å; P527-R583 VanDerWaalsContact C-NH2 3.29Å; P527-R583 PolarHBondContact O-NH2 3.19Å |
| 528 | E | 83.2 | Confident | 89.6 | Confident | 126 Ų | 126 | 37.4 Ų | 37.4 | 59% | 0.589 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -14.6 | 172.4 | 57.2 | -140.3 | 175 | 0 | 0 | 113.4 | K498 K526 Q530 | K498-E528 WeakPolarHBondContact CE-O 3.47Å; K498-E528 PolarHBondContact NZ-O 2.96Å; K526-E528 HydrophobicContact CB-CG 4.32Å; K526-E528 PolarHBondContact O-N 3.29Å; E528-Q530 PolarHBondContact O-N 3.48Å |
| 529 | D | 88.2 | Confident | 89.7 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -72.5 | -1.3 | 167.8 | -55.9 | -46.3 | 0 | 0 | 0 | 112.4 | F522 L525 K526 G531 Y533 L553 V555 | F522-D529 HydrophobicContact CD1-CB 4.06Å; F522-D529 HydrophobicContact CE1-CB 3.81Å; L525-D529 HydrophobicContact CD2-CB 4.11Å; K526-D529 PolarHBondContact N-OD2 3.01Å; K526-D529 WeakPolarHBondContact O-CB 3.37Å; K526-D529 PolarHBondContact O-N 3.17Å; D529-G531 PolarHBondContact O-N 3.12Å; D529-Y533 WeakPolarHBondContact O-CE2 3.3Å; D529-Y533 PolarHBondContact O-OH 3.24Å; D529-L553 HydrophobicContact CB-CD2 4.35Å; D529-L553 VanDerWaalsContact O-CD2 3.27Å; D529-L553 WeakPolarHBondContact O-CD2 3.42Å; D529-L553 WeakPolarHBondContact O-CG 3.22Å; D529-V555 HydrophobicContact CB-CG2 4.39Å |
| 530 | Q | 90 | Very high | 89.4 | Confident | 90 Ų | 90 | 37.5 Ų | 37.5 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | trans | -69.4 | 124.1 | 171.7 | 172.4 | 169.4 | -61.3 | 0 | 0 | 110.6 | K498 E528 L553 V555 | K498-Q530 WeakPolarHBondContact CE-O 3.44Å; K498-Q530 PolarHBondContact NZ-O 2.91Å; E528-Q530 PolarHBondContact O-N 3.48Å; Q530-L553 CarbonylContact C-O 3.57Å; Q530-L553 VanDerWaalsContact CA-O 3.29Å; Q530-L553 WeakPolarHBondContact CA-O 3.29Å; Q530-L553 WeakPolarHBondContact CG-O 3.37Å; Q530-V555 HydrophobicContact CB-CB 4.29Å; Q530-V555 HydrophobicContact CB-CG2 4.26Å | ||
| 531 | G | 91.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D499 D529 Y533 L553 | D499-G531 WeakPolarHBondContact OD1-CA 3.33Å; D529-G531 PolarHBondContact O-N 3.12Å; G531-Y533 WeakPolarHBondContact O-CD2 3.43Å; G531-L553 PolarHBondContact N-O 3.3Å; G531-L553 PolarHBondContact O-N 2.94Å |
| 532 | Q | 93.2 | Very high | 88.3 | Confident | 82 Ų | 82 | 36.5 Ų | 36.5 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.4 | 169.6 | -61.1 | -170.5 | -79.2 | 0 | 0 | 109.7 | K498 D499 E550 T552 | K498-Q532 CarbonylContact C-O 3.58Å; K498-Q532 VanDerWaalsContact CA-O 3.3Å; K498-Q532 WeakPolarHBondContact CA-O 3.24Å; D499-Q532 PolarHBondContact N-O 2.86Å; D499-Q532 PolarHBondContact OD1-N 3.22Å; Q532-E550 PolarHBondContact NE2-OE1 3.38Å; Q532-E550 VanDerWaalsContact NE2-OE1 3.08Å; Q532-T552 HydrophobicContact CG-CG2 4.38Å |
| 533 | Y | 93.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.9 | 179.4 | -71.6 | -104.9 | 0 | 0 | 0 | 110.4 | L480 E497 K498 L503 L520 F522 D529 G531 Q551 L553 | L480-Y533 HydrophobicContact CD1-CD1 4.08Å; L480-Y533 HydrophobicContact CD1-CD2 4.26Å; L480-Y533 HydrophobicContact CD1-CG 3.75Å; E497-Y533 WeakPolarHBondContact O-CA 3.47Å; K498-Y533 HydrophobicContact CB-CD1 4.29Å; K498-Y533 HydrophobicContact CB-CE1 4.03Å; K498-Y533 HydrophobicContact CD-CE1 4.16Å; K498-Y533 HydrophobicContact CD-CE2 4.13Å; K498-Y533 VanDerWaalsContact CD-OH 3.27Å; K498-Y533 WeakPolarHBondContact CD-OH 3.16Å; K498-Y533 WeakPolarHBondContact CE-OH 3.35Å; K498-Y533 HydrophobicContact CG-CD2 4.43Å; K498-Y533 HydrophobicContact CG-CE1 4.07Å; K498-Y533 HydrophobicContact CG-CE2 3.88Å; L503-Y533 HydrophobicContact CD1-CD1 3.84Å; L503-Y533 HydrophobicContact CD1-CE1 3.61Å; L520-Y533 HydrophobicContact CD2-CD1 3.66Å; L520-Y533 HydrophobicContact CD2-CE1 3.92Å; F522-Y533 HydrophobicContact CE2-CE1 4.32Å; F522-Y533 HydrophobicContact CZ-CD1 4.45Å; F522-Y533 AromaticContact CZ-CE1 3.61Å; F522-Y533 HydrophobicContact CZ-CE1 3.61Å; F522-Y533 AromaticContact CZ-CZ 3.75Å; D529-Y533 WeakPolarHBondContact O-CE2 3.3Å; D529-Y533 PolarHBondContact O-OH 3.24Å; G531-Y533 WeakPolarHBondContact O-CD2 3.43Å; Y533-Q551 WeakPolarHBondContact CA-O 3.3Å; Y533-Q551 WeakPolarHBondContact CB-O 3.41Å; Y533-Q551 PolarHBondContact N-O 2.69Å; Y533-Q551 PolarHBondContact O-N 3.04Å; Y533-L553 HydrophobicContact CD2-CB 3.93Å; Y533-L553 HydrophobicContact CD2-CD2 4.39Å; Y533-L553 HydrophobicContact CE2-CB 3.95Å; Y533-L553 HydrophobicContact CE2-CD2 3.89Å; Y533-L553 HydrophobicContact CE2-CG 4.45Å |
| 534 | Q | 93.4 | Very high | 87.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.2 | 171 | -178.3 | 166.5 | 68.6 | 0 | 0 | 109.6 | E497 F536 S547 G548 | E497-Q534 PolarHBondContact N-O 2.82Å; E497-Q534 PolarHBondContact O-N 3.09Å; Q534-F536 HydrophobicContact CB-CE2 3.97Å; Q534-F536 HydrophobicContact CB-CZ 4.45Å; Q534-F536 HydrophobicContact CG-CD2 4.44Å; Q534-F536 HydrophobicContact CG-CE2 3.83Å; Q534-F536 HydrophobicContact CG-CZ 4.01Å; Q534-F536 WeakPolarHBondContact O-CD2 3.46Å; Q534-S547 PolarHBondContact OE1-OG 3.27Å; Q534-G548 PolarHBondContact NE2-O 3.22Å |
| 535 | C | 93 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 149.8 | 170.6 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | C482 V494 Y495 W496 G548 | C482-C535 WeakPolarHBondContact CA-SG 3.37Å; C482-C535 HydrophobicContact CB-CB 3.64Å; C482-C535 WeakPolarHBondContact CB-SG 3.33Å; C482-C535 PolarHBondContact O-SG 2.97Å; C482-C535 WeakPolarHBondContact SG-CB 3.34Å; C482-C535 CovalentContact SG-SG 2.01Å; C482-C535 PolarHBondContact SG-SG 2.77Å; V494-C535 HydrophobicContact CG1-CB 4.22Å; Y495-C535 CarbonylContact O-C 3.57Å; Y495-C535 WeakPolarHBondContact O-CA 3.25Å; W496-C535 HydrophobicContact CD2-CB 3.71Å; W496-C535 HydrophobicContact CE3-CB 3.93Å; W496-C535 HydrophobicContact CG-CB 4.26Å; W496-C535 HydrophobicContact CH2-CB 4.12Å; W496-C535 HydrophobicContact CZ2-CB 3.89Å; W496-C535 HydrophobicContact CZ3-CB 4.13Å; C535-G548 PolarHBondContact O-N 3.12Å; C535-G548 WeakPolarHBondContact SG-CA 3.47Å |
| 536 | F | 93.2 | Very high | 87.9 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136 | 174.1 | -69.5 | -92 | 0 | 0 | 0 | 109.8 | V494 Y495 E497 Q534 R545 W546 S547 | V494-F536 WeakPolarHBondContact CA-O 3.1Å; Y495-F536 HydrophobicContact CD1-CB 4.33Å; Y495-F536 HydrophobicContact CD2-CB 4.13Å; Y495-F536 HydrophobicContact CE1-CB 3.84Å; Y495-F536 HydrophobicContact CE2-CB 3.63Å; Y495-F536 HydrophobicContact CE2-CD2 4.22Å; Y495-F536 HydrophobicContact CE2-CG 4.12Å; Y495-F536 HydrophobicContact CG-CB 4.47Å; Y495-F536 VanDerWaalsContact CZ-CB 3.47Å; Y495-F536 PolarHBondContact N-O 2.93Å; Y495-F536 PolarHBondContact O-N 3.45Å; E497-F536 HydrophobicContact CB-CD2 4.22Å; E497-F536 HydrophobicContact CB-CE2 3.9Å; E497-F536 HydrophobicContact CG-CD2 3.7Å; E497-F536 HydrophobicContact CG-CE2 3.7Å; E497-F536 WeakPolarHBondContact OE2-CE2 3.16Å; Q534-F536 HydrophobicContact CB-CE2 3.97Å; Q534-F536 HydrophobicContact CB-CZ 4.45Å; Q534-F536 HydrophobicContact CG-CD2 4.44Å; Q534-F536 HydrophobicContact CG-CE2 3.83Å; Q534-F536 HydrophobicContact CG-CZ 4.01Å; Q534-F536 WeakPolarHBondContact O-CD2 3.46Å; F536-R545 HydrophobicContact CD1-CG 3.89Å; F536-R545 HydrophobicContact CE1-CG 4.4Å; F536-R545 VanDerWaalsContact CE1-NE 3.33Å; F536-R545 VanDerWaalsContact CE1-NH2 3.33Å; F536-R545 VanDerWaalsContact CZ-NH2 3.27Å; F536-W546 WeakPolarHBondContact CA-O 3.45Å; F536-S547 WeakPolarHBondContact CE1-OG 3.36Å |
| 537 | V | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.4 | 175 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | P459 F461 I484 I493 V494 W546 | P459-V537 HydrophobicContact CB-CB 4.28Å; P459-V537 HydrophobicContact CB-CG1 3.98Å; P459-V537 HydrophobicContact CB-CG2 4.48Å; P459-V537 HydrophobicContact CG-CB 3.97Å; P459-V537 HydrophobicContact CG-CG1 3.93Å; F461-V537 HydrophobicContact CE1-CG2 4.02Å; F461-V537 HydrophobicContact CZ-CB 4.39Å; F461-V537 HydrophobicContact CZ-CG2 3.72Å; I484-V537 HydrophobicContact CD1-CG2 3.69Å; I484-V537 HydrophobicContact CG1-CG2 4.03Å; I493-V537 WeakPolarHBondContact O-CA 3.48Å; V494-V537 HydrophobicContact CG2-CG2 4.28Å; V537-W546 PolarHBondContact N-O 3.11Å; V537-W546 PolarHBondContact O-N 2.94Å |
| 538 | Q | 90.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.1 | 168.4 | -167.9 | 67.7 | 51.7 | 0 | 0 | 107.9 | S492 I493 Y495 Y542 E544 | S492-Q538 CarbonylContact C-O 3.58Å; S492-Q538 VanDerWaalsContact CA-O 3.28Å; S492-Q538 WeakPolarHBondContact CA-O 2.97Å; I493-Q538 HydrophobicContact CD1-CB 4.26Å; I493-Q538 HydrophobicContact CG1-CB 3.8Å; I493-Q538 PolarHBondContact N-O 3.03Å; I493-Q538 PolarHBondContact O-N 2.79Å; Y495-Q538 HydrophobicContact CE1-CB 4.23Å; Q538-Y542 PolarHBondContact NE2-O 2.83Å; Q538-E544 PolarHBondContact NE2-O 3.04Å |
| 539 | T | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.5 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | N456 G491 Y542 | N456-T539 HydrophobicContact CB-CG2 3.79Å; G491-T539 CarbonylContact O-C 3.55Å; G491-T539 WeakPolarHBondContact O-CA 3.25Å; G491-T539 WeakPolarHBondContact O-CG2 3.24Å; T539-Y542 HydrophobicContact CG2-CD2 3.8Å; T539-Y542 HydrophobicContact CG2-CE2 4.1Å; T539-Y542 WeakPolarHBondContact O-CB 3.3Å; T539-Y542 PolarHBondContact O-N 3.47Å |
| 540 | D | 83.9 | Confident | 89.2 | Confident | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 142.2 | -177.9 | -61 | -41.5 | 0 | 0 | 0 | 110.8 | I347 N456 G491 Y542 | I347-D540 HydrophobicContact CD1-CB 3.56Å; I347-D540 HydrophobicContact CG2-CB 4.19Å; N456-D540 WeakPolarHBondContact ND2-CB 3.5Å; N456-D540 PolarHBondContact ND2-N 3.48Å; N456-D540 PolarHBondContact ND2-O 3.45Å; G491-D540 WeakPolarHBondContact CA-OD2 3.38Å; G491-D540 PolarHBondContact O-N 3.11Å; D540-Y542 PolarHBondContact O-N 3.17Å |
| 541 | G | 76.3 | Confident | 89.4 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -14.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | R349 | R349-G541 VanDerWaalsContact CZ-O 3.25Å; R349-G541 PolarHBondContact NE-O 3.44Å; R349-G541 PolarHBondContact NH2-O 2.83Å |
| 542 | Y | 81.4 | Confident | 89.5 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | trans | -103.4 | 137 | 171.7 | -63.3 | -97 | 0 | 0 | 0 | 110.5 | R349 N456 P458 Q538 T539 D540 W546 | R349-Y542 HydrophobicContact CB-CE2 4.39Å; R349-Y542 HydrophobicContact CG-CE1 4.25Å; R349-Y542 HydrophobicContact CG-CE2 3.92Å; N456-Y542 HydrophobicContact CB-CE2 4.23Å; N456-Y542 PolarHBondContact O-OH 3.35Å; P458-Y542 HydrophobicContact CG-CE1 3.98Å; Q538-Y542 PolarHBondContact NE2-O 2.83Å; T539-Y542 HydrophobicContact CG2-CD2 3.8Å; T539-Y542 HydrophobicContact CG2-CE2 4.1Å; T539-Y542 WeakPolarHBondContact O-CB 3.3Å; T539-Y542 PolarHBondContact O-N 3.47Å; D540-Y542 PolarHBondContact O-N 3.17Å; Y542-W546 AromaticContact CD1-CH2 3.73Å; Y542-W546 HydrophobicContact CD1-CH2 3.73Å; Y542-W546 HydrophobicContact CD1-CZ2 4.44Å; Y542-W546 HydrophobicContact CD2-CH2 4.38Å; Y542-W546 HydrophobicContact CE1-CH2 4.47Å; Y542-W546 AromaticContact CG-CH2 3.67Å; Y542-W546 HydrophobicContact CG-CH2 3.67Å; Y542-W546 HydrophobicContact CG-CZ3 4.28Å | ||
| 543 | K | 74.1 | Confident | 89.5 | Confident | 151 Ų | 151 | 40.5 Ų | 40.5 | 66% | 0.657 | 20% | 0.199 | S | C | * | . | trans | -82.4 | -25.5 | 175.9 | -64.6 | -169.3 | -175.9 | -175.7 | 0 | 112.9 | E66 | E66-K543 IonicContact OE2-NZ 3.66Å; E66-K543 PolarHBondContact OE2-NZ 2.78Å | ||
| 544 | E | 83.1 | Confident | 89.4 | Confident | 135 Ų | 135 | 42.4 Ų | 42.4 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | trans | -74.1 | 148.9 | 179.9 | -71.1 | 164.7 | -153.7 | 0 | 0 | 110.7 | Q538 W546 | Q538-E544 PolarHBondContact NE2-O 3.04Å; E544-W546 HydrophobicContact CB-CZ2 4.43Å | ||
| 545 | R | 90.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 40.5 Ų | 40.5 | 40% | 0.4 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.4 | 169.6 | 72.9 | -180 | -164.1 | 161.6 | 7.8 | 108.9 | Y495 E497 F536 | Y495-R545 WeakPolarHBondContact OH-CD 3.38Å; Y495-R545 PolarHBondContact OH-NH1 3.34Å; Y495-R545 VanDerWaalsContact OH-NH1 3.15Å; E497-R545 VanDerWaalsContact CD-NH1 3.35Å; E497-R545 IonicContact OE1-CZ 3.81Å; E497-R545 IonicContact OE1-NH1 2.73Å; E497-R545 PolarHBondContact OE1-NH1 3.24Å; E497-R545 IonicContact OE1-NH2 3.6Å; E497-R545 PolarHBondContact OE1-NH2 3.44Å; E497-R545 IonicContact OE2-CZ 3.34Å; E497-R545 IonicContact OE2-NH1 2.75Å; E497-R545 IonicContact OE2-NH2 3.66Å; E497-R545 PolarHBondContact OE2-NH2 3.26Å; F536-R545 HydrophobicContact CD1-CG 3.89Å; F536-R545 HydrophobicContact CE1-CG 4.4Å; F536-R545 VanDerWaalsContact CE1-NE 3.33Å; F536-R545 VanDerWaalsContact CE1-NH2 3.33Å; F536-R545 VanDerWaalsContact CZ-NH2 3.27Å |
| 546 | W | 93.3 | Very high | 89.1 | Confident | 55 Ų | 55 | 42.8 Ų | 42.8 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.1 | 177.2 | -67.5 | -90 | 0 | 0 | 0 | 110.9 | P458 P459 F461 F536 V537 Y542 E544 | P458-W546 HydrophobicContact CB-CH2 4.1Å; P458-W546 HydrophobicContact CB-CZ2 3.72Å; P458-W546 HydrophobicContact CG-CH2 4.45Å; P458-W546 HydrophobicContact CG-CZ2 4.19Å; P459-W546 VanDerWaalsContact CD-CD2 3.49Å; P459-W546 HydrophobicContact CG-CB 3.71Å; P459-W546 HydrophobicContact CG-CD2 3.65Å; P459-W546 HydrophobicContact CG-CE3 3.68Å; P459-W546 HydrophobicContact CG-CG 3.67Å; F461-W546 HydrophobicContact CE2-CB 3.74Å; F461-W546 HydrophobicContact CE2-CG 4.47Å; F461-W546 HydrophobicContact CZ-CB 3.9Å; F536-W546 WeakPolarHBondContact CA-O 3.45Å; V537-W546 PolarHBondContact N-O 3.11Å; V537-W546 PolarHBondContact O-N 2.94Å; Y542-W546 AromaticContact CD1-CH2 3.73Å; Y542-W546 HydrophobicContact CD1-CH2 3.73Å; Y542-W546 HydrophobicContact CD1-CZ2 4.44Å; Y542-W546 HydrophobicContact CD2-CH2 4.38Å; Y542-W546 HydrophobicContact CE1-CH2 4.47Å; Y542-W546 AromaticContact CG-CH2 3.67Å; Y542-W546 HydrophobicContact CG-CH2 3.67Å; Y542-W546 HydrophobicContact CG-CZ3 4.28Å; E544-W546 HydrophobicContact CB-CZ2 4.43Å |
| 547 | S | 92.3 | Very high | 88.7 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.2 | 168.6 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | Q534 F536 | Q534-S547 PolarHBondContact OE1-OG 3.27Å; F536-S547 WeakPolarHBondContact CE1-OG 3.36Å |
| 548 | G | 91.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -153.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q534 C535 E550 | Q534-G548 PolarHBondContact NE2-O 3.22Å; C535-G548 PolarHBondContact O-N 3.12Å; C535-G548 WeakPolarHBondContact SG-CA 3.47Å; G548-E550 PolarHBondContact O-N 3.25Å |
| 549 | R | 92.7 | Very high | 88.5 | Confident | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124 | -170.3 | -160.3 | -175.8 | -52.4 | 143.8 | 21.7 | 112.3 | L465 T466 E468 D481 C482 Q551 | L465-R549 HydrophobicContact CD2-CB 4.03Å; T466-R549 WeakPolarHBondContact O-CD 3.23Å; T466-R549 WeakPolarHBondContact O-CG 3.49Å; E468-R549 WeakPolarHBondContact OE1-CD 3.33Å; E468-R549 IonicContact OE1-CZ 2.68Å; E468-R549 IonicContact OE1-NE 2.73Å; E468-R549 IonicContact OE1-NH1 2.72Å; E468-R549 PolarHBondContact OE1-NH1 2.88Å; E468-R549 IonicContact OE2-NH1 3.87Å; D481-R549 IonicContact OD2-CZ 2.66Å; D481-R549 IonicContact OD2-NH1 3.33Å; D481-R549 IonicContact OD2-NH2 3.84Å; D481-R549 PolarHBondContact OD2-NH2 3.03Å; C482-R549 PolarHBondContact O-N 2.99Å; R549-Q551 PolarHBondContact O-NE2 3.33Å |
| 550 | E | 91.9 | Very high | 88.3 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.9 | 170.9 | -165.2 | 173 | 164.8 | 0 | 0 | 110.2 | H467 E468 Q532 G548 | H467-E550 WeakPolarHBondContact CA-O 3.23Å; H467-E550 IonicContact ND1-OE1 2.68Å; E468-E550 PolarHBondContact N-O 2.9Å; E468-E550 VanDerWaalsContact N-O 3.08Å; Q532-E550 PolarHBondContact NE2-OE1 3.38Å; Q532-E550 VanDerWaalsContact NE2-OE1 3.08Å; G548-E550 PolarHBondContact O-N 3.25Å |
| 551 | Q | 94.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 114.2 | -175.7 | -81.2 | 149 | 104.5 | 0 | 0 | 109.4 | E468 L480 D481 Y533 R549 | E468-Q551 HydrophobicContact CB-CG 4.02Å; E468-Q551 CarbonylContact O-C 3.58Å; E468-Q551 WeakPolarHBondContact O-CA 3.18Å; L480-Q551 VanDerWaalsContact CA-OE1 3.28Å; L480-Q551 HydrophobicContact CD1-CB 4.43Å; L480-Q551 HydrophobicContact CD2-CB 4.16Å; L480-Q551 HydrophobicContact CD2-CG 4.46Å; D481-Q551 PolarHBondContact O-NE2 3.22Å; Y533-Q551 WeakPolarHBondContact CA-O 3.3Å; Y533-Q551 WeakPolarHBondContact CB-O 3.41Å; Y533-Q551 PolarHBondContact N-O 2.69Å; Y533-Q551 PolarHBondContact O-N 3.04Å; R549-Q551 PolarHBondContact O-NE2 3.33Å |
| 552 | T | 94.1 | Very high | 89 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.6 | 176.2 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | H467 E468 H470 Q532 I554 | H467-T552 PolarHBondContact CE1-OG1 3.42Å; E468-T552 PolarHBondContact O-N 2.84Å; H470-T552 PolarHBondContact N-O 2.96Å; Q532-T552 HydrophobicContact CG-CG2 4.38Å; T552-I554 HydrophobicContact CG2-CG1 4.14Å |
| 553 | L | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.6 | -179.6 | 176.5 | 53.6 | 0 | 0 | 0 | 109.4 | H470 I478 F522 L525 D529 Q530 G531 Y533 V555 | H470-L553 HydrophobicContact CB-CD1 4.4Å; I478-L553 HydrophobicContact CD1-CD1 4.47Å; I478-L553 HydrophobicContact CG2-CD1 4.35Å; F522-L553 HydrophobicContact CD2-CD2 4.28Å; F522-L553 HydrophobicContact CE2-CD2 4Å; F522-L553 HydrophobicContact CZ-CD2 4.2Å; L525-L553 HydrophobicContact CD1-CD1 4.1Å; L525-L553 HydrophobicContact CD2-CD1 4.02Å; L525-L553 HydrophobicContact CD2-CD2 3.68Å; L525-L553 HydrophobicContact CD2-CG 4.28Å; D529-L553 HydrophobicContact CB-CD2 4.35Å; D529-L553 VanDerWaalsContact O-CD2 3.27Å; D529-L553 WeakPolarHBondContact O-CD2 3.42Å; D529-L553 WeakPolarHBondContact O-CG 3.22Å; Q530-L553 CarbonylContact C-O 3.57Å; Q530-L553 VanDerWaalsContact CA-O 3.29Å; Q530-L553 WeakPolarHBondContact CA-O 3.29Å; Q530-L553 WeakPolarHBondContact CG-O 3.37Å; G531-L553 PolarHBondContact N-O 3.3Å; G531-L553 PolarHBondContact O-N 2.94Å; Y533-L553 HydrophobicContact CD2-CB 3.93Å; Y533-L553 HydrophobicContact CD2-CD2 4.39Å; Y533-L553 HydrophobicContact CE2-CB 3.95Å; Y533-L553 HydrophobicContact CE2-CD2 3.89Å; Y533-L553 HydrophobicContact CE2-CG 4.45Å; L553-V555 HydrophobicContact CD1-CG2 4.3Å; L553-V555 HydrophobicContact CG-CG2 4.17Å |
| 554 | I | 91.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.7 | 179.6 | -57 | 177 | 0 | 0 | 0 | 108.5 | H470 A471 L472 T552 Y585 | H470-I554 PolarHBondContact O-N 3Å; A471-I554 CarbonylContact C-O 3.52Å; A471-I554 WeakPolarHBondContact CA-O 3.3Å; A471-I554 HydrophobicContact CB-CB 4.18Å; L472-I554 PolarHBondContact N-O 2.66Å; T552-I554 HydrophobicContact CG2-CG1 4.14Å; I554-Y585 HydrophobicContact CG2-CE2 3.85Å |
| 555 | V | 90.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.9 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | E474 L525 D529 Q530 L553 A557 | E474-V555 HydrophobicContact CB-CG1 4.38Å; L525-V555 HydrophobicContact CB-CG1 4.26Å; L525-V555 HydrophobicContact CB-CG2 4.33Å; L525-V555 HydrophobicContact CD2-CG2 4.17Å; D529-V555 HydrophobicContact CB-CG2 4.39Å; Q530-V555 HydrophobicContact CB-CB 4.29Å; Q530-V555 HydrophobicContact CB-CG2 4.26Å; L553-V555 HydrophobicContact CD1-CG2 4.3Å; L553-V555 HydrophobicContact CG-CG2 4.17Å; V555-A557 VanDerWaalsContact C-N 3.29Å; V555-A557 PolarHBondContact O-N 2.97Å |
| 556 | K | 88.5 | Confident | 89.1 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 80.8 | -179.1 | -58.1 | 159.8 | -176 | 161.9 | 0 | 109.7 | A471 L472 E474 K558 Y585 Y638 | A471-K556 WeakPolarHBondContact O-CE 3.34Å; A471-K556 PolarHBondContact O-NZ 3.42Å; L472-K556 WeakPolarHBondContact O-CB 3.27Å; L472-K556 VanDerWaalsContact O-CG 3.31Å; L472-K556 WeakPolarHBondContact O-CG 3.39Å; L472-K556 PolarHBondContact O-N 2.95Å; E474-K556 PolarHBondContact N-O 3.33Å; K556-K558 PolarHBondContact O-N 3.49Å; K556-Y585 HydrophobicContact CB-CD1 4.33Å; K556-Y585 HydrophobicContact CB-CD2 4.15Å; K556-Y585 HydrophobicContact CB-CG 3.96Å; K556-Y585 HydrophobicContact CG-CD1 4.17Å; K556-Y585 HydrophobicContact CG-CD2 4.03Å; K556-Y585 HydrophobicContact CG-CE1 4.19Å; K556-Y585 HydrophobicContact CG-CE2 4.04Å; K556-Y585 HydrophobicContact CG-CG 4.08Å; K556-Y638 HydrophobicContact CB-CE1 3.93Å; K556-Y638 HydrophobicContact CD-CE2 4.44Å |
| 557 | A | 85.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | trans | -48.6 | 134 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E474 P527 V555 Y585 | E474-A557 VanDerWaalsContact OE2-CA 3.27Å; E474-A557 WeakPolarHBondContact OE2-CA 3.27Å; P527-A557 HydrophobicContact CB-CB 3.69Å; P527-A557 HydrophobicContact CG-CB 3.59Å; V555-A557 VanDerWaalsContact C-N 3.29Å; V555-A557 PolarHBondContact O-N 2.97Å; A557-Y585 PolarHBondContact O-N 3.34Å | ||
| 558 | K | 87.6 | Confident | 88.4 | Confident | 83 Ų | 83 | 59.5 Ų | 59.5 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | trans | -68.5 | 148.2 | 173.3 | 69.8 | -145.2 | -179.9 | -141.4 | 0 | 110.5 | E474 D475 K556 Q560 G584 | E474-K558 HydrophobicContact CB-CD 4.49Å; E474-K558 HydrophobicContact CG-CD 4.21Å; E474-K558 WeakPolarHBondContact OE1-CE 3.38Å; E474-K558 IonicContact OE1-NZ 3.76Å; E474-K558 PolarHBondContact OE1-NZ 3Å; E474-K558 WeakPolarHBondContact OE2-CG 3.45Å; E474-K558 PolarHBondContact OE2-N 2.96Å; D475-K558 IonicContact OD1-NZ 3.84Å; D475-K558 IonicContact OD2-NZ 3.24Å; D475-K558 PolarHBondContact OD2-NZ 3.29Å; K556-K558 PolarHBondContact O-N 3.49Å; K558-Q560 PolarHBondContact O-N 3.16Å; K558-G584 WeakPolarHBondContact O-CA 3.32Å | ||
| 559 | L | 90.2 | Very high | 88 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | trans | -74.1 | 111 | 177.8 | -179.2 | 62.3 | 0 | 0 | 0 | 109 | A582 R583 V588 A634 A641 I643 | L559-A582 HydrophobicContact CD1-CB 4.41Å; L559-R583 WeakPolarHBondContact CA-O 3.47Å; L559-V588 HydrophobicContact CD1-CG1 4.04Å; L559-V588 HydrophobicContact CD1-CG2 4.25Å; L559-A634 HydrophobicContact CD1-CB 4.4Å; L559-A641 HydrophobicContact CB-CB 4.01Å; L559-A641 VanDerWaalsContact CD2-C 3.47Å; L559-A641 HydrophobicContact CD2-CB 3.7Å; L559-A641 VanDerWaalsContact CD2-O 3.23Å; L559-A641 WeakPolarHBondContact CD2-O 3.34Å; L559-I643 HydrophobicContact CD1-CD1 4.45Å; L559-I643 HydrophobicContact CD2-CG1 4.13Å; L559-I643 HydrophobicContact CD2-CG2 4.34Å; L559-I643 HydrophobicContact CG-CD1 3.94Å; L559-I643 HydrophobicContact CG-CG1 3.94Å; L559-I643 HydrophobicContact CG-CG2 4.3Å | ||
| 560 | Q | 87.9 | Confident | 87.8 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.8 | -178.8 | 65 | -172.3 | 7.5 | 0 | 0 | 111.5 | K558 A582 R583 | K558-Q560 PolarHBondContact O-N 3.16Å; Q560-A582 CarbonylContact O-C 3.48Å; Q560-A582 WeakPolarHBondContact O-CA 3.46Å; Q560-R583 PolarHBondContact N-O 2.84Å; Q560-R583 PolarHBondContact O-N 3.43Å |
| 561 | F | 89.3 | Confident | 87.4 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 141.2 | 173.1 | -64.8 | -70.7 | 0 | 0 | 0 | 110.6 | R563 E564 C580 A582 A634 I643 M645 | F561-R563 VanDerWaalsContact C-N 3.25Å; F561-R563 PolarHBondContact O-N 3.38Å; F561-E564 HydrophobicContact CB-CG 3.77Å; F561-E564 HydrophobicContact CD2-CG 4.19Å; F561-E564 HydrophobicContact CG-CG 4.41Å; F561-C580 WeakPolarHBondContact CE1-SG 3.35Å; F561-A582 HydrophobicContact CD1-CB 4.02Å; F561-A582 HydrophobicContact CE1-CB 4.42Å; F561-A634 HydrophobicContact CD1-CB 4.41Å; F561-A634 HydrophobicContact CE1-CB 3.67Å; F561-A634 HydrophobicContact CZ-CB 4.15Å; F561-I643 HydrophobicContact CD1-CD1 4.19Å; F561-I643 HydrophobicContact CD2-CD1 3.54Å; F561-I643 HydrophobicContact CD2-CG1 4.18Å; F561-I643 HydrophobicContact CE1-CD1 4.16Å; F561-I643 HydrophobicContact CE1-CG1 4.23Å; F561-I643 HydrophobicContact CE2-CB 4.03Å; F561-I643 HydrophobicContact CE2-CD1 3.49Å; F561-I643 VanDerWaalsContact CE2-CD1 3.49Å; F561-I643 HydrophobicContact CE2-CG1 3.58Å; F561-I643 HydrophobicContact CG-CD1 3.91Å; F561-I643 HydrophobicContact CZ-CB 4.38Å; F561-I643 HydrophobicContact CZ-CD1 3.83Å; F561-I643 HydrophobicContact CZ-CG1 3.63Å; F561-M645 HydrophobicContact CB-CE 3.62Å; F561-M645 HydrophobicContact CD1-CE 3.55Å; F561-M645 HydrophobicContact CD2-CB 4.08Å; F561-M645 HydrophobicContact CD2-CE 3.68Å; F561-M645 HydrophobicContact CE1-CB 4.37Å; F561-M645 HydrophobicContact CE1-CE 4.09Å; F561-M645 HydrophobicContact CE2-CB 3.63Å; F561-M645 HydrophobicContact CE2-CE 4.2Å; F561-M645 HydrophobicContact CG-CE 3.32Å; F561-M645 HydrophobicContact CZ-CB 3.78Å; F561-M645 HydrophobicContact CZ-CE 4.38Å |
| 562 | L | 84.1 | Confident | 87 | Confident | 106 Ų | 106 | 60 Ų | 60 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -72.1 | -20.5 | 177.6 | -72 | -178.7 | 0 | 0 | 0 | 113.2 | K581 R583 | L562-K581 HydrophobicContact CB-CB 4.34Å; L562-K581 HydrophobicContact CD1-CB 3.95Å; L562-K581 HydrophobicContact CG-CB 4.43Å; L562-K581 PolarHBondContact N-O 3.5Å; L562-R583 HydrophobicContact CD2-CB 3.78Å; L562-R583 HydrophobicContact CG-CB 4.33Å |
| 563 | R | 82.4 | Confident | 86.5 | Confident | 184 Ų | 184 | 62.9 Ų | 62.9 | 69% | 0.694 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -155.3 | 116.8 | 173.5 | 177.6 | -178.7 | 173.2 | 168 | -1.9 | 108 | F561 F565 M645 | F561-R563 VanDerWaalsContact C-N 3.25Å; F561-R563 PolarHBondContact O-N 3.38Å; R563-F565 HydrophobicContact CG-CD1 4.24Å; R563-M645 WeakPolarHBondContact O-CE 3.28Å |
| 564 | E | 79.9 | Confident | 86.1 | Confident | 141 Ų | 141 | 67.7 Ų | 67.7 | 66% | 0.659 | 31% | 0.306 | S | S | * | . | trans | -91.8 | 140.3 | 171.2 | -62.4 | -166.5 | 179.5 | 0 | 0 | 110.7 | F561 M645 | F561-E564 HydrophobicContact CB-CG 3.77Å; F561-E564 HydrophobicContact CD2-CG 4.19Å; F561-E564 HydrophobicContact CG-CG 4.41Å; E564-M645 HydrophobicContact CG-CE 4.22Å | ||
| 565 | F | 82.7 | Confident | 86.1 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | trans | -152.8 | 142.5 | 175.8 | 53.8 | -75.7 | 0 | 0 | 0 | 108.9 | R563 H568 I578 P579 M645 V647 | R563-F565 HydrophobicContact CG-CD1 4.24Å; F565-H568 HydrophobicContact CD2-CB 4.09Å; F565-H568 AromaticContact CD2-ND1 3.97Å; F565-H568 HydrophobicContact CE2-CB 3.89Å; F565-H568 AromaticContact CE2-CG 3.97Å; F565-H568 AromaticContact CE2-ND1 3.5Å; F565-I578 HydrophobicContact CE2-CG2 3.84Å; F565-I578 HydrophobicContact CZ-CG2 3.98Å; F565-P579 WeakPolarHBondContact CE1-O 3.45Å; F565-P579 WeakPolarHBondContact CZ-O 3.3Å; F565-M645 HydrophobicContact CD1-SD 3.9Å; F565-M645 HydrophobicContact CE1-SD 3.95Å; F565-M645 HydrophobicContact CG-SD 4.4Å; F565-V647 HydrophobicContact CD2-CG1 3.9Å; F565-V647 HydrophobicContact CD2-CG2 4.03Å; F565-V647 HydrophobicContact CE2-CB 4.4Å; F565-V647 HydrophobicContact CE2-CG1 3.69Å; F565-V647 HydrophobicContact CE2-CG2 3.76Å; F565-V647 HydrophobicContact CZ-CG2 4.19Å | ||
| 566 | R | 86.7 | Confident | 85.9 | Confident | 216 Ų | 216 | 71 Ų | 71 | 82% | 0.815 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -101.3 | -23.7 | -176.1 | -64.6 | -174.1 | -179.6 | -165.9 | -0 | 113.6 | S648 | R566-S648 PolarHBondContact O-N 2.8Š|
| 567 | E | 83.4 | Confident | 86.1 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.6 | 175.6 | -65.6 | -172.9 | -173.3 | 0 | 0 | 109.7 | S648 I650 H805 | E567-S648 WeakPolarHBondContact CA-O 3.5Å; E567-I650 HydrophobicContact CB-CD1 4.43Å; E567-I650 HydrophobicContact CG-CD1 4.22Å; E567-I650 WeakPolarHBondContact OE2-CD1 3.31Å; E567-H805 IonicContact OE2-CE1 3.83Å; E567-H805 IonicContact OE2-ND1 3.47Å |
| 568 | H | 87.8 | Confident | 86.4 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 118.1 | 171.9 | -165.9 | 91.6 | 0 | 0 | 0 | 110.2 | F565 R577 I578 V647 S648 V649 I650 | F565-H568 HydrophobicContact CD2-CB 4.09Å; F565-H568 AromaticContact CD2-ND1 3.97Å; F565-H568 HydrophobicContact CE2-CB 3.89Å; F565-H568 AromaticContact CE2-CG 3.97Å; F565-H568 AromaticContact CE2-ND1 3.5Å; H568-R577 PolarHBondContact NE2-O 3.11Å; H568-I578 HydrophobicContact CB-CG2 4.38Å; H568-V647 HydrophobicContact CB-CG1 3.51Å; H568-S648 PolarHBondContact N-O 3.39Å; H568-V649 WeakPolarHBondContact O-CA 3.2Å; H568-I650 PolarHBondContact O-N 2.78Å |
| 569 | F | 84 | Confident | 86.5 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.4 | 177.5 | -177.2 | -84 | 0 | 0 | 0 | 111 | E571 I650 G652 H805 I807 | F569-E571 HydrophobicContact CE1-CB 4.18Å; F569-I650 CarbonylContact C-O 3.49Å; F569-I650 VanDerWaalsContact CA-O 3.3Å; F569-I650 WeakPolarHBondContact CA-O 3.48Å; F569-I650 HydrophobicContact CD2-CG2 4.5Å; F569-G652 VanDerWaalsContact CZ-C 3.49Å; F569-H805 HydrophobicContact CB-CB 4.16Å; F569-H805 HydrophobicContact CD2-CB 4.07Å; F569-H805 AromaticContact CD2-CD2 3.61Å; F569-H805 AromaticContact CD2-CG 3.91Å; F569-H805 HydrophobicContact CG-CB 4.35Å; F569-I807 HydrophobicContact CB-CD1 4.33Å; F569-I807 HydrophobicContact CD1-CD1 3.23Å; F569-I807 HydrophobicContact CD2-CD1 4.15Å; F569-I807 HydrophobicContact CE1-CD1 3.33Å; F569-I807 HydrophobicContact CE2-CD1 4.23Å; F569-I807 HydrophobicContact CG-CD1 3.65Å; F569-I807 HydrophobicContact CZ-CD1 3.84Å |
| 570 | L | 88.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.7 | 169.7 | -61.7 | -179.3 | 0 | 0 | 0 | 110.3 | I578 I619 V622 V649 I650 V651 G652 | L570-I578 HydrophobicContact CD1-CD1 4.15Å; L570-I578 HydrophobicContact CD1-CG1 4.2Å; L570-I578 HydrophobicContact CD2-CG1 4.26Å; L570-I619 HydrophobicContact CD1-CD1 3.84Å; L570-V622 HydrophobicContact CB-CG1 3.78Å; L570-V622 HydrophobicContact CB-CG2 4.05Å; L570-V622 HydrophobicContact CD1-CG1 4.5Å; L570-V622 HydrophobicContact CD1-CG2 3.93Å; L570-V649 HydrophobicContact CD1-CG1 3.6Å; L570-V649 HydrophobicContact CG-CG1 4Å; L570-I650 PolarHBondContact N-O 3.25Å; L570-V651 HydrophobicContact CB-CG2 4.46Å; L570-V651 WeakPolarHBondContact O-CA 3.2Å; L570-G652 PolarHBondContact O-N 2.95Å |
| 571 | E | 83.1 | Confident | 86.7 | Confident | 46 Ų | 46 | 74 Ų | 74 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.8 | 176 | -165.7 | 176.1 | 161.2 | 0 | 0 | 110.8 | F569 M574 V622 G652 K654 | F569-E571 HydrophobicContact CE1-CB 4.18Å; E571-M574 HydrophobicContact CB-CB 4.48Å; E571-M574 HydrophobicContact CB-CG 4.41Å; E571-M574 HydrophobicContact CB-SD 4.03Å; E571-M574 VanDerWaalsContact CD-SD 3.54Å; E571-M574 HydrophobicContact CG-CG 4.47Å; E571-M574 HydrophobicContact CG-SD 4.07Å; E571-M574 PolarHBondContact O-N 3.41Å; E571-V622 WeakPolarHBondContact O-CB 3.28Å; E571-G652 WeakPolarHBondContact CA-O 3.15Å; E571-K654 IonicContact OE1-NZ 2.89Å; E571-K654 PolarHBondContact OE1-NZ 2.79Å; E571-K654 WeakPolarHBondContact OE2-CD 3.13Å; E571-K654 IonicContact OE2-NZ 3.55Å; E571-K654 PolarHBondContact OE2-NZ 2.95Å |
| 572 | I | 84.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 147.5 | 179.2 | -160.6 | 177.7 | 0 | 0 | 0 | 111.9 | M574 K624 V651 G652 E653 | I572-M574 PolarHBondContact O-N 2.84Å; I572-K624 HydrophobicContact CD1-CD 4.47Å; I572-K624 HydrophobicContact CD1-CG 3.74Å; I572-V651 HydrophobicContact CB-CG1 4.13Å; I572-V651 HydrophobicContact CG1-CG1 4.28Å; I572-G652 PolarHBondContact N-O 3.38Å; I572-E653 HydrophobicContact CG2-CG 3.5Å; I572-E653 VanDerWaalsContact CG2-CG 3.5Å |
| 573 | N | 84.3 | Confident | 86.9 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 5.9 | -178.5 | -49.3 | -46.9 | 0 | 0 | 0 | 114.9 | Y621 V622 Q623 | N573-Y621 HydrophobicContact CB-CE2 3.82Å; N573-Y621 WeakPolarHBondContact CB-OH 3.44Å; N573-Y621 VanDerWaalsContact O-CE2 3.31Å; N573-Y621 WeakPolarHBondContact O-CE2 3.2Å; N573-Y621 PolarHBondContact OD1-OH 2.73Å; N573-V622 PolarHBondContact N-O 2.84Å; N573-Q623 PolarHBondContact OD1-NE2 2.8Å |
| 574 | M | 85.7 | Confident | 87.1 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 49% | 0.493 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -104.2 | 168.5 | 172.9 | -65.6 | -169.2 | 64 | 0 | 0 | 111.6 | E571 I572 G576 V622 | E571-M574 HydrophobicContact CB-CB 4.48Å; E571-M574 HydrophobicContact CB-CG 4.41Å; E571-M574 HydrophobicContact CB-SD 4.03Å; E571-M574 VanDerWaalsContact CD-SD 3.54Å; E571-M574 HydrophobicContact CG-CG 4.47Å; E571-M574 HydrophobicContact CG-SD 4.07Å; E571-M574 PolarHBondContact O-N 3.41Å; I572-M574 PolarHBondContact O-N 2.84Å; M574-G576 PolarHBondContact O-N 3.13Å; M574-V622 WeakPolarHBondContact O-CB 3.35Å; M574-V622 VanDerWaalsContact O-CG2 3.29Å; M574-V622 WeakPolarHBondContact O-CG2 2.99Å; M574-V622 PolarHBondContact O-N 3.41Å |
| 575 | Q | 89.9 | Confident | 87.4 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | trans | -78 | 114.6 | 171 | -175.9 | -179.5 | 19.2 | 0 | 0 | 110 | I618 I619 | Q575-I618 HydrophobicContact CG-CG2 4.09Å; Q575-I618 VanDerWaalsContact NE2-CG2 3.29Å; Q575-I619 CarbonylContact C-O 3.58Å; Q575-I619 WeakPolarHBondContact CA-O 3.43Å | ||
| 576 | G | 88.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 138.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M574 I618 I619 | M574-G576 PolarHBondContact O-N 3.13Å; G576-I618 WeakPolarHBondContact O-CA 3.46Å; G576-I619 PolarHBondContact N-O 2.99Å; G576-I619 PolarHBondContact O-N 2.79Å |
| 577 | R | 91.7 | Very high | 87.5 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123 | 171.5 | -58.5 | -172.5 | 75.8 | 98.9 | -1.9 | 109.4 | H568 E613 T616 L617 I618 | H568-R577 PolarHBondContact NE2-O 3.11Å; R577-E613 IonicContact CZ-OE2 2.75Å; R577-E613 IonicContact NH1-OE2 3.16Å; R577-E613 IonicContact NH2-OE2 3.82Å; R577-E613 PolarHBondContact NH2-OE2 2.92Å; R577-T616 HydrophobicContact CB-CG2 3.98Å; R577-L617 CarbonylContact C-O 3.59Å; R577-L617 WeakPolarHBondContact CA-O 3.33Å; R577-I618 HydrophobicContact CG-CG1 4.3Å |
| 578 | I | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 101.3 | -179.6 | -47.8 | 159.4 | 0 | 0 | 0 | 107.3 | F565 H568 L570 C580 W592 T616 L617 I619 V647 V649 | F565-I578 HydrophobicContact CE2-CG2 3.84Å; F565-I578 HydrophobicContact CZ-CG2 3.98Å; H568-I578 HydrophobicContact CB-CG2 4.38Å; L570-I578 HydrophobicContact CD1-CD1 4.15Å; L570-I578 HydrophobicContact CD1-CG1 4.2Å; L570-I578 HydrophobicContact CD2-CG1 4.26Å; I578-C580 PolarHBondContact O-N 3.43Å; I578-W592 HydrophobicContact CB-CH2 4.19Å; I578-W592 HydrophobicContact CB-CZ2 4.14Å; I578-W592 HydrophobicContact CG2-CH2 3.43Å; I578-W592 VanDerWaalsContact CG2-CH2 3.43Å; I578-W592 HydrophobicContact CG2-CZ2 3.74Å; I578-W592 HydrophobicContact CG2-CZ3 4.37Å; I578-W592 WeakPolarHBondContact O-CZ2 3.22Å; I578-T616 WeakPolarHBondContact O-CA 3.46Å; I578-L617 HydrophobicContact CB-CB 4.32Å; I578-L617 HydrophobicContact CD1-CB 4.48Å; I578-L617 HydrophobicContact CD1-CD2 3.79Å; I578-L617 HydrophobicContact CD1-CG 4.08Å; I578-L617 PolarHBondContact N-O 3.12Å; I578-L617 PolarHBondContact O-N 2.8Å; I578-I619 HydrophobicContact CD1-CD1 4.28Å; I578-V647 HydrophobicContact CG2-CG1 4.25Å; I578-V649 HydrophobicContact CD1-CG2 3.49Å; I578-V649 VanDerWaalsContact CD1-CG2 3.49Å; I578-V649 HydrophobicContact CG1-CG2 4.42Å |
| 579 | P | 89.7 | Confident | 87.8 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.5 | -171.3 | 31.4 | -32.7 | 0 | 0 | 0 | 111.7 | F565 T616 | F565-P579 WeakPolarHBondContact CE1-O 3.45Å; F565-P579 WeakPolarHBondContact CZ-O 3.3Å; P579-T616 HydrophobicContact CB-CG2 4.5Å |
| 580 | C | 92.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | trans | -110.7 | 128.2 | 165.7 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | F561 I578 V590 W592 G615 C632 | F561-C580 WeakPolarHBondContact CE1-SG 3.35Å; I578-C580 PolarHBondContact O-N 3.43Å; C580-V590 HydrophobicContact CB-CG1 4.06Å; C580-W592 HydrophobicContact CB-CH2 4.36Å; C580-W592 HydrophobicContact CB-CZ2 3.45Å; C580-W592 VanDerWaalsContact CB-CZ2 3.45Å; C580-G615 WeakPolarHBondContact CA-O 3.37Å; C580-G615 WeakPolarHBondContact CB-O 3.38Å; C580-G615 PolarHBondContact N-O 2.01Å; C580-G615 CarbonylContact O-C 3.57Å; C580-G615 VanDerWaalsContact O-C 3.26Å; C580-G615 WeakPolarHBondContact O-CA 3.44Å; C580-C632 HydrophobicContact CB-CB 3.71Å; C580-C632 WeakPolarHBondContact CB-SG 3.48Å; C580-C632 WeakPolarHBondContact SG-CB 3.21Å; C580-C632 CovalentContact SG-SG 2.03Å; C580-C632 PolarHBondContact SG-SG 2.86Å | ||
| 581 | K | 90.2 | Very high | 88.2 | Confident | 130 Ų | 130 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | trans | -136.8 | 135.1 | 174 | -63.4 | -175.2 | 178.7 | -177.9 | 0 | 108.6 | L562 | L562-K581 HydrophobicContact CB-CB 4.34Å; L562-K581 HydrophobicContact CD1-CB 3.95Å; L562-K581 HydrophobicContact CG-CB 4.43Å; L562-K581 PolarHBondContact N-O 3.5Å | ||
| 582 | A | 89.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L559 Q560 F561 V588 V590 A634 | L559-A582 HydrophobicContact CD1-CB 4.41Å; Q560-A582 CarbonylContact O-C 3.48Å; Q560-A582 WeakPolarHBondContact O-CA 3.46Å; F561-A582 HydrophobicContact CD1-CB 4.02Å; F561-A582 HydrophobicContact CE1-CB 4.42Å; A582-V588 HydrophobicContact CB-CG1 3.94Å; A582-V590 HydrophobicContact CB-CG2 4.37Å; A582-A634 HydrophobicContact CB-CB 3.45Å; A582-A634 VanDerWaalsContact CB-CB 3.45Å |
| 583 | R | 86.9 | Confident | 89 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.9 | 172 | -173.2 | -179.2 | -169.4 | 172.3 | 5.9 | 108 | P527 L559 Q560 L562 | P527-R583 VanDerWaalsContact C-NH2 3.29Å; P527-R583 PolarHBondContact O-NH2 3.19Å; L559-R583 WeakPolarHBondContact CA-O 3.47Å; Q560-R583 PolarHBondContact N-O 2.84Å; Q560-R583 PolarHBondContact O-N 3.43Å; L562-R583 HydrophobicContact CD2-CB 3.78Å; L562-R583 HydrophobicContact CG-CB 4.33Å |
| 584 | G | 86.4 | Confident | 89.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | 173.7 | 161.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K558 | K558-G584 WeakPolarHBondContact O-CA 3.32Š| ||
| 585 | Y | 87.2 | Confident | 89.1 | Confident | 87 Ų | 87 | 57 Ų | 57 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -70 | 155.8 | 170.1 | -169.2 | -99.3 | 0 | 0 | 0 | 110.3 | I554 K556 A557 S636 Y638 | I554-Y585 HydrophobicContact CG2-CE2 3.85Å; K556-Y585 HydrophobicContact CB-CD1 4.33Å; K556-Y585 HydrophobicContact CB-CD2 4.15Å; K556-Y585 HydrophobicContact CB-CG 3.96Å; K556-Y585 HydrophobicContact CG-CD1 4.17Å; K556-Y585 HydrophobicContact CG-CD2 4.03Å; K556-Y585 HydrophobicContact CG-CE1 4.19Å; K556-Y585 HydrophobicContact CG-CE2 4.04Å; K556-Y585 HydrophobicContact CG-CG 4.08Å; A557-Y585 PolarHBondContact O-N 3.34Å; Y585-S636 PolarHBondContact O-OG 2.89Å; Y585-Y638 HydrophobicContact CD1-CD1 4.08Å; Y585-Y638 AromaticContact CD1-CD2 3.62Å; Y585-Y638 HydrophobicContact CD1-CD2 3.62Å; Y585-Y638 HydrophobicContact CD1-CE2 4.16Å; Y585-Y638 AromaticContact CD1-CG 3.61Å; Y585-Y638 HydrophobicContact CD1-CG 3.61Å; Y585-Y638 HydrophobicContact CE1-CD2 4.14Å; Y585-Y638 HydrophobicContact CE1-CE2 4.48Å; Y585-Y638 HydrophobicContact CG-CD1 4.46Å; Y585-Y638 HydrophobicContact CG-CG 4.36Å; Y585-Y638 VanDerWaalsContact O-CB 3.24Å; Y585-Y638 WeakPolarHBondContact O-CB 3.48Å |
| 586 | G | 86.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 79.3 | -170.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V588 | G586-V588 PolarHBondContact O-N 3.04Š|
| 587 | T | 83.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | trans | -82.9 | 105 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | T637 | T587-T637 PolarHBondContact N-OG1 3.45Å; T587-T637 VanDerWaalsContact N-OG1 3.13Å; T587-T637 WeakPolarHBondContact OG1-CG2 3.28Å; T587-T637 PolarHBondContact OG1-OG1 3.13Å | ||
| 588 | V | 89.1 | Confident | 85.8 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.3 | 176.9 | -177 | 0 | 0 | 0 | 0 | 110.3 | L559 A582 G586 K635 | L559-V588 HydrophobicContact CD1-CG1 4.04Å; L559-V588 HydrophobicContact CD1-CG2 4.25Å; A582-V588 HydrophobicContact CB-CG1 3.94Å; G586-V588 PolarHBondContact O-N 3.04Å; V588-K635 CarbonylContact C-O 3.5Å; V588-K635 VanDerWaalsContact CA-O 3.29Å; V588-K635 WeakPolarHBondContact CA-O 3.49Å |
| 589 | T | 89.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 68 Ų | 68 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.4 | 172 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | A634 K635 | T589-A634 VanDerWaalsContact O-CA 3.31Å; T589-A634 WeakPolarHBondContact O-CA 3.48Å; T589-K635 PolarHBondContact N-O 3.33Å; T589-K635 PolarHBondContact O-N 2.85Å |
| 590 | V | 91.5 | Very high | 82.7 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.1 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 109 | C580 A582 C632 A634 | C580-V590 HydrophobicContact CB-CG1 4.06Å; A582-V590 HydrophobicContact CB-CG2 4.37Å; V590-C632 VanDerWaalsContact CG1-SG 3.5Å; V590-A634 HydrophobicContact CG2-CB 4.41Å |
| 591 | E | 90.1 | Very high | 80.7 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.8 | 179 | -66.8 | 168.3 | -163.8 | 0 | 0 | 109.7 | F593 C632 V633 K635 | E591-F593 HydrophobicContact CB-CE2 3.64Å; E591-F593 HydrophobicContact CB-CZ 4.07Å; E591-F593 VanDerWaalsContact OE2-CZ 3.29Å; E591-F593 WeakPolarHBondContact OE2-CZ 3.41Å; E591-C632 WeakPolarHBondContact O-CA 3.35Å; E591-V633 PolarHBondContact N-O 2.96Å; E591-V633 PolarHBondContact O-N 2.88Å; E591-K635 IonicContact OE1-NZ 3.35Å; E591-K635 PolarHBondContact OE1-NZ 3.25Å; E591-K635 WeakPolarHBondContact OE2-CE 3.39Å; E591-K635 IonicContact OE2-NZ 2.72Å; E591-K635 PolarHBondContact OE2-NZ 3.38Å |
| 592 | W | 92.5 | Very high | 79.6 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 3% | 0.034 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.3 | 171.5 | -80.7 | 94.9 | 0 | 0 | 0 | 111.2 | I578 C580 I606 V612 G615 L617 C632 V647 | I578-W592 HydrophobicContact CB-CH2 4.19Å; I578-W592 HydrophobicContact CB-CZ2 4.14Å; I578-W592 HydrophobicContact CG2-CH2 3.43Å; I578-W592 VanDerWaalsContact CG2-CH2 3.43Å; I578-W592 HydrophobicContact CG2-CZ2 3.74Å; I578-W592 HydrophobicContact CG2-CZ3 4.37Å; I578-W592 WeakPolarHBondContact O-CZ2 3.22Å; C580-W592 HydrophobicContact CB-CH2 4.36Å; C580-W592 HydrophobicContact CB-CZ2 3.45Å; C580-W592 VanDerWaalsContact CB-CZ2 3.45Å; W592-I606 HydrophobicContact CB-CD1 4.39Å; W592-I606 HydrophobicContact CB-CG1 3.94Å; W592-I606 WeakPolarHBondContact O-CG1 3.44Å; W592-V612 HydrophobicContact CB-CG2 3.89Å; W592-V612 HydrophobicContact CG-CG2 4.32Å; W592-G615 PolarHBondContact NE1-O 2.85Å; W592-L617 HydrophobicContact CB-CB 4.33Å; W592-L617 HydrophobicContact CB-CD2 4.37Å; W592-L617 HydrophobicContact CD2-CB 3.68Å; W592-L617 HydrophobicContact CD2-CD2 3.98Å; W592-L617 HydrophobicContact CD2-CG 4.47Å; W592-L617 HydrophobicContact CE3-CB 4.37Å; W592-L617 HydrophobicContact CE3-CD2 3.89Å; W592-L617 HydrophobicContact CG-CB 3.69Å; W592-L617 HydrophobicContact CG-CD2 4.26Å; W592-L617 HydrophobicContact CG-CG 4.49Å; W592-L617 HydrophobicContact CZ2-CB 4.19Å; W592-L617 HydrophobicContact CZ3-CD2 4.43Å; W592-C632 HydrophobicContact CD2-CB 3.96Å; W592-C632 HydrophobicContact CE3-CB 3.91Å; W592-C632 HydrophobicContact CH2-CB 3.95Å; W592-C632 HydrophobicContact CZ2-CB 4.01Å; W592-C632 HydrophobicContact CZ3-CB 3.89Å; W592-V647 HydrophobicContact CH2-CB 4.41Å; W592-V647 HydrophobicContact CH2-CG2 3.97Å; W592-V647 HydrophobicContact CZ3-CB 4.43Å; W592-V647 HydrophobicContact CZ3-CG2 4.28Å |
| 593 | F | 90.8 | Very high | 79 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.4 | 174.8 | -57.2 | -91 | 0 | 0 | 0 | 109.5 | E591 L603 Q604 I605 Y630 V631 V633 | E591-F593 HydrophobicContact CB-CE2 3.64Å; E591-F593 HydrophobicContact CB-CZ 4.07Å; E591-F593 VanDerWaalsContact OE2-CZ 3.29Å; E591-F593 WeakPolarHBondContact OE2-CZ 3.41Å; F593-L603 HydrophobicContact CB-CB 3.76Å; F593-L603 HydrophobicContact CB-CD1 4.48Å; F593-L603 HydrophobicContact CB-CD2 4.22Å; F593-L603 HydrophobicContact CB-CG 4.37Å; F593-L603 HydrophobicContact CD1-CB 3.83Å; F593-L603 HydrophobicContact CD2-CD1 4.19Å; F593-L603 HydrophobicContact CG-CB 3.79Å; F593-L603 HydrophobicContact CG-CD1 4.24Å; F593-Q604 CarbonylContact C-O 3.58Å; F593-Q604 VanDerWaalsContact CA-O 3.26Å; F593-Q604 WeakPolarHBondContact CA-O 3.37Å; F593-I605 HydrophobicContact CD1-CG1 4.49Å; F593-I605 HydrophobicContact CE1-CG1 4.32Å; F593-Y630 CarbonylContact O-C 3.5Å; F593-Y630 WeakPolarHBondContact O-CA 3.36Å; F593-V631 PolarHBondContact N-O 3.17Å; F593-V631 PolarHBondContact O-N 3.44Å; F593-V633 HydrophobicContact CD2-CB 4.47Å; F593-V633 HydrophobicContact CD2-CG2 3.81Å; F593-V633 HydrophobicContact CE2-CB 4.1Å; F593-V633 HydrophobicContact CE2-CG2 3.8Å |
| 594 | R | 88.2 | Confident | 78.8 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 30% | 0.302 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128 | 161.4 | -168.6 | 177 | -174.2 | 167.2 | 5.9 | 107.7 | G596 Q604 I606 H625 A627 Y630 | R594-G596 PolarHBondContact O-N 3.06Å; R594-Q604 HydrophobicContact CB-CB 4.49Å; R594-Q604 PolarHBondContact N-O 2.96Å; R594-Q604 PolarHBondContact O-N 2.59Å; R594-I606 HydrophobicContact CB-CD1 4.43Å; R594-H625 PolarHBondContact NH1-O 2.96Å; R594-H625 PolarHBondContact NH2-O 3.29Å; R594-A627 PolarHBondContact NH2-O 2.93Å; R594-Y630 HydrophobicContact CB-CD1 4.08Å; R594-Y630 HydrophobicContact CB-CE1 3.94Å; R594-Y630 HydrophobicContact CG-CD1 4.25Å; R594-Y630 HydrophobicContact CG-CE1 3.93Å; R594-Y630 HydrophobicContact CG-CE2 4.45Å |
| 595 | K | 83.4 | Confident | 78.6 | Confident | 95 Ų | 95 | 79.2 Ų | 79.2 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.1 | 169.9 | -172.4 | 172.2 | 156.4 | -159.8 | 0 | 106.8 | D629 V631 T646 | K595-D629 HydrophobicContact CB-CB 3.69Å; K595-D629 WeakPolarHBondContact CB-O 3.05Å; K595-D629 HydrophobicContact CD-CB 3.68Å; K595-D629 WeakPolarHBondContact CD-OD2 3.5Å; K595-D629 WeakPolarHBondContact CE-OD2 3.48Å; K595-D629 HydrophobicContact CG-CB 4.22Å; K595-D629 PolarHBondContact N-O 2.89Å; K595-D629 IonicContact NZ-OD2 2.79Å; K595-D629 PolarHBondContact NZ-OD2 2.87Å; K595-V631 HydrophobicContact CB-CG2 4.14Å; K595-V631 HydrophobicContact CD-CG2 4.4Å; K595-T646 HydrophobicContact CD-CG2 4.3Å |
| 596 | G | 73.6 | Confident | 78.5 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 165.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R594 S600 | R594-G596 PolarHBondContact O-N 3.06Å; G596-S600 VanDerWaalsContact CA-OG 3.25Å; G596-S600 WeakPolarHBondContact CA-OG 3.21Å |
| 597 | D | 66.1 | Low | 78.3 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 154.7 | 167.4 | -61.8 | -63.9 | 0 | 0 | 0 | 110.6 | H599 S600 | D597-H599 PolarHBondContact O-N 3.37Å; D597-S600 PolarHBondContact N-OG 3.42Å; D597-S600 VanDerWaalsContact N-OG 3.14Å; D597-S600 PolarHBondContact O-N 2.82Å; D597-S600 PolarHBondContact O-OG 3.36Å |
| 598 | P | 62 | Low | 78.1 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 80% | 0.799 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.1 | -173.9 | -28.1 | 35.6 | 0 | 0 | 0 | 116.3 | ||
| 599 | H | 60.2 | Low | 77.8 | Confident | 192 Ų | 192 | 85.9 Ų | 85.9 | 89% | 0.889 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10 | 175.9 | -70.6 | 55.5 | 0 | 0 | 0 | 113.4 | D597 | D597-H599 PolarHBondContact O-N 3.37Š|
| 600 | S | 56.9 | Low | 77.7 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -107.8 | 97.1 | -179.9 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | G596 D597 G602 | G596-S600 VanDerWaalsContact CA-OG 3.25Å; G596-S600 WeakPolarHBondContact CA-OG 3.21Å; D597-S600 PolarHBondContact N-OG 3.42Å; D597-S600 VanDerWaalsContact N-OG 3.14Å; D597-S600 PolarHBondContact O-N 2.82Å; D597-S600 PolarHBondContact O-OG 3.36Å; S600-G602 VanDerWaalsContact C-N 3.28Å; S600-G602 PolarHBondContact O-N 2.9Å |
| 601 | N | 51.6 | Low | 77.5 | Confident | 175 Ų | 175 | 86.1 Ų | 86.1 | 94% | 0.936 | 45% | 0.453 | S | S | * | . | trans | -67.7 | 80.5 | 176 | -83.8 | -23.4 | 0 | 0 | 0 | 111.5 | ||||
| 602 | G | 66.1 | Low | 77.3 | Confident | 42 Ų | 42 | 85.8 Ų | 85.8 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -178.9 | 136.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S600 Q604 | S600-G602 VanDerWaalsContact C-N 3.28Å; S600-G602 PolarHBondContact O-N 2.9Å; G602-Q604 PolarHBondContact O-N 3.49Å |
| 603 | L | 77.9 | Confident | 76.9 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 110.9 | 157.5 | -71 | -176.8 | 0 | 0 | 0 | 108 | F593 V631 V633 | F593-L603 HydrophobicContact CB-CB 3.76Å; F593-L603 HydrophobicContact CB-CD1 4.48Å; F593-L603 HydrophobicContact CB-CD2 4.22Å; F593-L603 HydrophobicContact CB-CG 4.37Å; F593-L603 HydrophobicContact CD1-CB 3.83Å; F593-L603 HydrophobicContact CD2-CD1 4.19Å; F593-L603 HydrophobicContact CG-CB 3.79Å; F593-L603 HydrophobicContact CG-CD1 4.24Å; L603-V631 HydrophobicContact CD2-CB 3.9Å; L603-V631 HydrophobicContact CD2-CG1 4.43Å; L603-V631 HydrophobicContact CD2-CG2 3.68Å; L603-V633 HydrophobicContact CD1-CG2 4.31Å |
| 604 | Q | 82 | Confident | 76.4 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 32% | 0.318 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.5 | -177.8 | -55.7 | -168.5 | 26.3 | 0 | 0 | 110.2 | F593 R594 G602 I606 | F593-Q604 CarbonylContact C-O 3.58Å; F593-Q604 VanDerWaalsContact CA-O 3.26Å; F593-Q604 WeakPolarHBondContact CA-O 3.37Å; R594-Q604 HydrophobicContact CB-CB 4.49Å; R594-Q604 PolarHBondContact N-O 2.96Å; R594-Q604 PolarHBondContact O-N 2.59Å; G602-Q604 PolarHBondContact O-N 3.49Å; Q604-I606 PolarHBondContact O-N 3.28Å |
| 605 | I | 82.4 | Confident | 76.3 | Confident | 132 Ų | 132 | 87.8 Ų | 87.8 | 68% | 0.677 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 136.2 | 174.5 | -58.6 | 173.1 | 0 | 0 | 0 | 109.2 | F593 R607 | F593-I605 HydrophobicContact CD1-CG1 4.49Å; F593-I605 HydrophobicContact CE1-CG1 4.32Å; I605-R607 PolarHBondContact O-N 2.93Å |
| 606 | I | 85.1 | Confident | 76.5 | Confident | 25 Ų | 25 | 84.1 Ų | 84.1 | 13% | 0.128 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 123.6 | 175.1 | -55.7 | -61.6 | 0 | 0 | 0 | 109.3 | W592 R594 Q604 N610 L617 Y630 | W592-I606 HydrophobicContact CB-CD1 4.39Å; W592-I606 HydrophobicContact CB-CG1 3.94Å; W592-I606 WeakPolarHBondContact O-CG1 3.44Å; R594-I606 HydrophobicContact CB-CD1 4.43Å; Q604-I606 PolarHBondContact O-N 3.28Å; I606-N610 HydrophobicContact CG2-CB 3.7Å; I606-L617 HydrophobicContact CB-CD1 4.43Å; I606-L617 HydrophobicContact CD1-CD1 3.99Å; I606-L617 HydrophobicContact CD1-CD2 3.97Å; I606-L617 HydrophobicContact CG1-CD1 3.94Å; I606-L617 HydrophobicContact CG2-CD1 3.7Å; I606-Y630 HydrophobicContact CD1-CD1 3.77Å; I606-Y630 HydrophobicContact CD1-CE1 3.87Å |
| 607 | R | 82.1 | Confident | 77.4 | Confident | 179 Ų | 179 | 83.5 Ų | 83.5 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 142.1 | -178.3 | -57.4 | -175.4 | -170.4 | 177.1 | 5.5 | 110.7 | I605 N610 | I605-R607 PolarHBondContact O-N 2.93Å; R607-N610 WeakPolarHBondContact O-CB 3.44Å; R607-N610 PolarHBondContact O-N 3.12Å |
| 608 | P | 80.4 | Confident | 78.6 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 146.2 | 167.5 | -26.7 | 35.6 | 0 | 0 | 0 | 111.7 | N610 | P608-N610 VanDerWaalsContact C-N 3.33Š|
| 609 | P | 81.8 | Confident | 80 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -77.8 | -5.7 | 9.7 | 32.7 | -37.6 | 0 | 0 | 0 | 115.1 | Q620 | P609-Q620 HydrophobicContact CB-CB 4.46Å; P609-Q620 HydrophobicContact CB-CG 4.37Å; P609-Q620 WeakPolarHBondContact O-CG 3.39Å; P609-Q620 PolarHBondContact O-NE2 3.28Å |
| 610 | N | 87.3 | Confident | 81.2 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.15 | 38% | 0.379 | C | S | . | . | trans | -72.9 | 140.7 | -179.5 | -59.1 | -19.1 | 0 | 0 | 0 | 110.4 | I606 R607 P608 I618 I619 Q620 | I606-N610 HydrophobicContact CG2-CB 3.7Å; R607-N610 WeakPolarHBondContact O-CB 3.44Å; R607-N610 PolarHBondContact O-N 3.12Å; P608-N610 VanDerWaalsContact C-N 3.33Å; N610-I618 CarbonylContact C-O 3.47Å; N610-I618 VanDerWaalsContact CA-O 3.26Å; N610-I618 WeakPolarHBondContact CA-O 3.46Å; N610-I618 WeakPolarHBondContact CB-O 3.46Å; N610-I619 VanDerWaalsContact OD1-CA 3.31Å; N610-I619 WeakPolarHBondContact OD1-CA 3.48Å; N610-Q620 PolarHBondContact OD1-N 2.87Å; N610-Q620 VanDerWaalsContact OD1-N 3.15Å | ||
| 611 | Q | 87.9 | Confident | 82.6 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164.5 | -169.8 | 69.7 | -167.9 | 27.1 | 0 | 0 | 112.5 | E613 I618 | Q611-E613 PolarHBondContact NE2-OE1 2.84Å; Q611-I618 HydrophobicContact CG-CB 4.22Å; Q611-I618 HydrophobicContact CG-CD1 4.37Å; Q611-I618 PolarHBondContact N-O 3.06Å; Q611-I618 PolarHBondContact O-N 2.74Å |
| 612 | V | 85 | Confident | 84.4 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.6 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | W592 T616 L617 | W592-V612 HydrophobicContact CB-CG2 3.89Å; W592-V612 HydrophobicContact CG-CG2 4.32Å; V612-T616 CarbonylContact C-O 3.39Å; V612-T616 WeakPolarHBondContact CA-O 3.44Å; V612-L617 HydrophobicContact CG2-CD1 4.34Å |
| 613 | E | 84.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114 | 175.7 | -72.8 | 166.5 | -158.8 | 0 | 0 | 109.6 | R577 Q611 G615 T616 I618 | R577-E613 IonicContact CZ-OE2 2.75Å; R577-E613 IonicContact NH1-OE2 3.16Å; R577-E613 IonicContact NH2-OE2 3.82Å; R577-E613 PolarHBondContact NH2-OE2 2.92Å; Q611-E613 PolarHBondContact NE2-OE1 2.84Å; E613-G615 VanDerWaalsContact C-N 3.28Å; E613-G615 PolarHBondContact O-N 3.04Å; E613-T616 PolarHBondContact N-O 3.46Å; E613-T616 WeakPolarHBondContact O-CA 3.42Å; E613-T616 VanDerWaalsContact O-CB 3.29Å; E613-T616 WeakPolarHBondContact O-CB 3.27Å; E613-T616 PolarHBondContact O-N 3.48Å; E613-I618 HydrophobicContact CB-CD1 3.73Å; E613-I618 HydrophobicContact CG-CD1 3.55Å; E613-I618 VanDerWaalsContact OE1-CD1 3.24Å; E613-I618 WeakPolarHBondContact OE1-CD1 3.48Å; E613-I618 WeakPolarHBondContact OE2-CD1 3.49Å |
| 614 | G | 80.3 | Confident | 85.7 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 79% | 0.794 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T616 | G614-T616 VanDerWaalsContact C-N 3.28Å; G614-T616 PolarHBondContact O-N 2.99Å |
| 615 | G | 85.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -2.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | C580 W592 E613 | C580-G615 WeakPolarHBondContact CA-O 3.37Å; C580-G615 WeakPolarHBondContact CB-O 3.38Å; C580-G615 PolarHBondContact N-O 2.01Å; C580-G615 CarbonylContact O-C 3.57Å; C580-G615 VanDerWaalsContact O-C 3.26Å; C580-G615 WeakPolarHBondContact O-CA 3.44Å; W592-G615 PolarHBondContact NE1-O 2.85Å; E613-G615 VanDerWaalsContact C-N 3.28Å; E613-G615 PolarHBondContact O-N 3.04Å |
| 616 | T | 88.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.4 | 173 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | R577 I578 P579 V612 E613 G614 I618 | R577-T616 HydrophobicContact CB-CG2 3.98Å; I578-T616 WeakPolarHBondContact O-CA 3.46Å; P579-T616 HydrophobicContact CB-CG2 4.5Å; V612-T616 CarbonylContact C-O 3.39Å; V612-T616 WeakPolarHBondContact CA-O 3.44Å; E613-T616 PolarHBondContact N-O 3.46Å; E613-T616 WeakPolarHBondContact O-CA 3.42Å; E613-T616 VanDerWaalsContact O-CB 3.29Å; E613-T616 WeakPolarHBondContact O-CB 3.27Å; E613-T616 PolarHBondContact O-N 3.48Å; G614-T616 VanDerWaalsContact C-N 3.28Å; G614-T616 PolarHBondContact O-N 2.99Å; T616-I618 HydrophobicContact CG2-CG1 4.25Å |
| 617 | L | 92.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.6 | 168.4 | 169 | 58.9 | 0 | 0 | 0 | 109.3 | R577 I578 W592 I606 V612 Y630 | R577-L617 CarbonylContact C-O 3.59Å; R577-L617 WeakPolarHBondContact CA-O 3.33Å; I578-L617 HydrophobicContact CB-CB 4.32Å; I578-L617 HydrophobicContact CD1-CB 4.48Å; I578-L617 HydrophobicContact CD1-CD2 3.79Å; I578-L617 HydrophobicContact CD1-CG 4.08Å; I578-L617 PolarHBondContact N-O 3.12Å; I578-L617 PolarHBondContact O-N 2.8Å; W592-L617 HydrophobicContact CB-CB 4.33Å; W592-L617 HydrophobicContact CB-CD2 4.37Å; W592-L617 HydrophobicContact CD2-CB 3.68Å; W592-L617 HydrophobicContact CD2-CD2 3.98Å; W592-L617 HydrophobicContact CD2-CG 4.47Å; W592-L617 HydrophobicContact CE3-CB 4.37Å; W592-L617 HydrophobicContact CE3-CD2 3.89Å; W592-L617 HydrophobicContact CG-CB 3.69Å; W592-L617 HydrophobicContact CG-CD2 4.26Å; W592-L617 HydrophobicContact CG-CG 4.49Å; W592-L617 HydrophobicContact CZ2-CB 4.19Å; W592-L617 HydrophobicContact CZ3-CD2 4.43Å; I606-L617 HydrophobicContact CB-CD1 4.43Å; I606-L617 HydrophobicContact CD1-CD1 3.99Å; I606-L617 HydrophobicContact CD1-CD2 3.97Å; I606-L617 HydrophobicContact CG1-CD1 3.94Å; I606-L617 HydrophobicContact CG2-CD1 3.7Å; V612-L617 HydrophobicContact CG2-CD1 4.34Å; L617-Y630 HydrophobicContact CD2-CD1 3.39Å; L617-Y630 HydrophobicContact CD2-CE1 3.87Å; L617-Y630 HydrophobicContact CD2-CG 4.04Å |
| 618 | I | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.8 | -177.9 | -62.6 | 163 | 0 | 0 | 0 | 108.6 | Q575 G576 R577 N610 Q611 E613 T616 | Q575-I618 HydrophobicContact CG-CG2 4.09Å; Q575-I618 VanDerWaalsContact NE2-CG2 3.29Å; G576-I618 WeakPolarHBondContact O-CA 3.46Å; R577-I618 HydrophobicContact CG-CG1 4.3Å; N610-I618 CarbonylContact C-O 3.47Å; N610-I618 VanDerWaalsContact CA-O 3.26Å; N610-I618 WeakPolarHBondContact CA-O 3.46Å; N610-I618 WeakPolarHBondContact CB-O 3.46Å; Q611-I618 HydrophobicContact CG-CB 4.22Å; Q611-I618 HydrophobicContact CG-CD1 4.37Å; Q611-I618 PolarHBondContact N-O 3.06Å; Q611-I618 PolarHBondContact O-N 2.74Å; E613-I618 HydrophobicContact CB-CD1 3.73Å; E613-I618 HydrophobicContact CG-CD1 3.55Å; E613-I618 VanDerWaalsContact OE1-CD1 3.24Å; E613-I618 WeakPolarHBondContact OE1-CD1 3.48Å; E613-I618 WeakPolarHBondContact OE2-CD1 3.49Å; T616-I618 HydrophobicContact CG2-CG1 4.25Å |
| 619 | I | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.2 | 172.8 | -59.5 | -174.8 | 0 | 0 | 0 | 106.3 | L570 Q575 G576 I578 N610 Y621 V622 D626 | L570-I619 HydrophobicContact CD1-CD1 3.84Å; Q575-I619 CarbonylContact C-O 3.58Å; Q575-I619 WeakPolarHBondContact CA-O 3.43Å; G576-I619 PolarHBondContact N-O 2.99Å; G576-I619 PolarHBondContact O-N 2.79Å; I578-I619 HydrophobicContact CD1-CD1 4.28Å; N610-I619 VanDerWaalsContact OD1-CA 3.31Å; N610-I619 WeakPolarHBondContact OD1-CA 3.48Å; I619-Y621 PolarHBondContact O-N 2.8Å; I619-V622 HydrophobicContact CB-CG2 3.92Å; I619-V622 HydrophobicContact CG2-CB 4.35Å; I619-V622 HydrophobicContact CG2-CG2 3.65Å; I619-D626 HydrophobicContact CD1-CB 4.24Å; I619-D626 HydrophobicContact CG2-CB 4.38Å |
| 620 | Q | 85.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -66.9 | -38 | -167.1 | -72.9 | -161.6 | 34.2 | 0 | 0 | 113.1 | P609 N610 | P609-Q620 HydrophobicContact CB-CB 4.46Å; P609-Q620 HydrophobicContact CB-CG 4.37Å; P609-Q620 WeakPolarHBondContact O-CG 3.39Å; P609-Q620 PolarHBondContact O-NE2 3.28Å; N610-Q620 PolarHBondContact OD1-N 2.87Å; N610-Q620 VanDerWaalsContact OD1-N 3.15Å |
| 621 | Y | 85.8 | Confident | 87.8 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -141.3 | 94 | 179 | -172.1 | -103.4 | 0 | 0 | 0 | 108.6 | N573 I619 Q623 | N573-Y621 HydrophobicContact CB-CE2 3.82Å; N573-Y621 WeakPolarHBondContact CB-OH 3.44Å; N573-Y621 VanDerWaalsContact O-CE2 3.31Å; N573-Y621 WeakPolarHBondContact O-CE2 3.2Å; N573-Y621 PolarHBondContact OD1-OH 2.73Å; I619-Y621 PolarHBondContact O-N 2.8Å; Y621-Q623 HydrophobicContact CD1-CG 4.04Å; Y621-Q623 HydrophobicContact CE1-CG 4.26Å; Y621-Q623 PolarHBondContact O-N 2.83Å |
| 622 | V | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -66 | 126 | -172 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L570 E571 N573 M574 I619 V651 | L570-V622 HydrophobicContact CB-CG1 3.78Å; L570-V622 HydrophobicContact CB-CG2 4.05Å; L570-V622 HydrophobicContact CD1-CG1 4.5Å; L570-V622 HydrophobicContact CD1-CG2 3.93Å; E571-V622 WeakPolarHBondContact O-CB 3.28Å; N573-V622 PolarHBondContact N-O 2.84Å; M574-V622 WeakPolarHBondContact O-CB 3.35Å; M574-V622 VanDerWaalsContact O-CG2 3.29Å; M574-V622 WeakPolarHBondContact O-CG2 2.99Å; M574-V622 PolarHBondContact O-N 3.41Å; I619-V622 HydrophobicContact CB-CG2 3.92Å; I619-V622 HydrophobicContact CG2-CB 4.35Å; I619-V622 HydrophobicContact CG2-CG2 3.65Å; V622-V651 HydrophobicContact CG1-CB 4.17Å; V622-V651 HydrophobicContact CG1-CG1 3.47Å; V622-V651 VanDerWaalsContact CG1-CG1 3.47Å; V622-V651 HydrophobicContact CG1-CG2 3.62Å | ||
| 623 | Q | 88.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | trans | -123.4 | 161.4 | 174.9 | -66.5 | -62.9 | -87.2 | 0 | 0 | 111.4 | N573 Y621 H625 D626 | N573-Q623 PolarHBondContact OD1-NE2 2.8Å; Y621-Q623 HydrophobicContact CD1-CG 4.04Å; Y621-Q623 HydrophobicContact CE1-CG 4.26Å; Y621-Q623 PolarHBondContact O-N 2.83Å; Q623-H625 VanDerWaalsContact CB-CE1 3.46Å; Q623-H625 WeakPolarHBondContact CB-CE1 3.48Å; Q623-H625 WeakPolarHBondContact CB-NE2 3.36Å; Q623-H625 PolarHBondContact O-N 3.3Å; Q623-D626 PolarHBondContact N-OD2 2.8Å; Q623-D626 WeakPolarHBondContact O-CB 3.41Å; Q623-D626 PolarHBondContact O-N 3.05Å | ||
| 624 | K | 83.6 | Confident | 88.9 | Confident | 107 Ų | 107 | 36 Ų | 36 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -58.5 | -24.6 | 179.8 | -63.5 | -160.9 | 179.7 | -171.1 | 0 | 113.5 | I572 D626 A627 V651 D681 | I572-K624 HydrophobicContact CD1-CD 4.47Å; I572-K624 HydrophobicContact CD1-CG 3.74Å; K624-D626 VanDerWaalsContact C-N 3.26Å; K624-D626 PolarHBondContact O-N 3.1Å; K624-A627 WeakPolarHBondContact O-CB 3.06Å; K624-A627 PolarHBondContact O-N 3.21Å; K624-V651 HydrophobicContact CG-CG1 4.41Å; K624-D681 WeakPolarHBondContact CE-OD2 3.25Å; K624-D681 IonicContact NZ-OD2 3.7Å; K624-D681 PolarHBondContact NZ-OD2 2.61Å |
| 625 | H | 83.9 | Confident | 89.4 | Confident | 130 Ų | 130 | 35.4 Ų | 35.4 | 60% | 0.602 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -75.6 | -6.4 | 173.5 | 62.8 | 53.4 | 0 | 0 | 0 | 114.9 | R594 Q623 | R594-H625 PolarHBondContact NH1-O 2.96Å; R594-H625 PolarHBondContact NH2-O 3.29Å; Q623-H625 VanDerWaalsContact CB-CE1 3.46Å; Q623-H625 WeakPolarHBondContact CB-CE1 3.48Å; Q623-H625 WeakPolarHBondContact CB-NE2 3.36Å; Q623-H625 PolarHBondContact O-N 3.3Å |
| 626 | D | 88.6 | Confident | 89.6 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -91.2 | -1.7 | 173.1 | -55.9 | -35.2 | 0 | 0 | 0 | 112.2 | I619 Q623 K624 Y630 V651 | I619-D626 HydrophobicContact CD1-CB 4.24Å; I619-D626 HydrophobicContact CG2-CB 4.38Å; Q623-D626 PolarHBondContact N-OD2 2.8Å; Q623-D626 WeakPolarHBondContact O-CB 3.41Å; Q623-D626 PolarHBondContact O-N 3.05Å; K624-D626 VanDerWaalsContact C-N 3.26Å; K624-D626 PolarHBondContact O-N 3.1Å; D626-Y630 VanDerWaalsContact O-CE2 3.27Å; D626-Y630 WeakPolarHBondContact O-CE2 3.39Å; D626-Y630 PolarHBondContact O-OH 3.17Å; D626-Y630 VanDerWaalsContact O-OH 3.06Å; D626-V651 HydrophobicContact CB-CG2 4.45Å |
| 627 | A | 86.7 | Confident | 89.6 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | trans | -67.5 | 158.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R594 K624 V649 V651 | R594-A627 PolarHBondContact NH2-O 2.93Å; K624-A627 WeakPolarHBondContact O-CB 3.06Å; K624-A627 PolarHBondContact O-N 3.21Å; A627-V649 CarbonylContact C-O 3.56Å; A627-V649 VanDerWaalsContact CA-O 3.28Å; A627-V649 WeakPolarHBondContact CA-O 3.42Å; A627-V651 HydrophobicContact CB-CB 4.23Å; A627-V651 HydrophobicContact CB-CG2 4.08Å | ||
| 628 | G | 89.4 | Confident | 89.2 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.8 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y630 V649 | G628-Y630 WeakPolarHBondContact O-CD2 3.3Å; G628-V649 PolarHBondContact N-O 2.97Å; G628-V649 WeakPolarHBondContact O-CB 3.36Å; G628-V649 PolarHBondContact O-N 3.07Å |
| 629 | D | 91 | Very high | 88.9 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.9 | -173.3 | -77.2 | -4.5 | 0 | 0 | 0 | 112.9 | K595 T646 S648 | K595-D629 HydrophobicContact CB-CB 3.69Å; K595-D629 WeakPolarHBondContact CB-O 3.05Å; K595-D629 HydrophobicContact CD-CB 3.68Å; K595-D629 WeakPolarHBondContact CD-OD2 3.5Å; K595-D629 WeakPolarHBondContact CE-OD2 3.48Å; K595-D629 HydrophobicContact CG-CB 4.22Å; K595-D629 PolarHBondContact N-O 2.89Å; K595-D629 IonicContact NZ-OD2 2.79Å; K595-D629 PolarHBondContact NZ-OD2 2.87Å; D629-T646 HydrophobicContact CB-CG2 3.83Å; D629-S648 WeakPolarHBondContact OD1-CA 3.41Å; D629-S648 WeakPolarHBondContact OD1-CB 3.47Å; D629-S648 PolarHBondContact OD1-OG 2.88Å |
| 630 | Y | 92.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.7 | 169.8 | -69.2 | -102.2 | 0 | 0 | 0 | 109.3 | F593 R594 I606 L617 D626 G628 V647 V649 | F593-Y630 CarbonylContact O-C 3.5Å; F593-Y630 WeakPolarHBondContact O-CA 3.36Å; R594-Y630 HydrophobicContact CB-CD1 4.08Å; R594-Y630 HydrophobicContact CB-CE1 3.94Å; R594-Y630 HydrophobicContact CG-CD1 4.25Å; R594-Y630 HydrophobicContact CG-CE1 3.93Å; R594-Y630 HydrophobicContact CG-CE2 4.45Å; I606-Y630 HydrophobicContact CD1-CD1 3.77Å; I606-Y630 HydrophobicContact CD1-CE1 3.87Å; L617-Y630 HydrophobicContact CD2-CD1 3.39Å; L617-Y630 HydrophobicContact CD2-CE1 3.87Å; L617-Y630 HydrophobicContact CD2-CG 4.04Å; D626-Y630 VanDerWaalsContact O-CE2 3.27Å; D626-Y630 WeakPolarHBondContact O-CE2 3.39Å; D626-Y630 PolarHBondContact O-OH 3.17Å; D626-Y630 VanDerWaalsContact O-OH 3.06Å; G628-Y630 WeakPolarHBondContact O-CD2 3.3Å; Y630-V647 PolarHBondContact N-O 2.89Å; Y630-V647 PolarHBondContact O-N 2.85Å; Y630-V649 HydrophobicContact CD2-CB 3.74Å; Y630-V649 HydrophobicContact CD2-CG2 3.35Å; Y630-V649 HydrophobicContact CE2-CB 3.84Å; Y630-V649 HydrophobicContact CE2-CG1 4.37Å; Y630-V649 HydrophobicContact CE2-CG2 3.86Å; Y630-V649 HydrophobicContact CG-CG2 4.12Å |
| 631 | V | 92 | Very high | 88.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 113.8 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | F593 K595 L603 V633 N644 M645 T646 | F593-V631 PolarHBondContact N-O 3.17Å; F593-V631 PolarHBondContact O-N 3.44Å; K595-V631 HydrophobicContact CB-CG2 4.14Å; K595-V631 HydrophobicContact CD-CG2 4.4Å; L603-V631 HydrophobicContact CD2-CB 3.9Å; L603-V631 HydrophobicContact CD2-CG1 4.43Å; L603-V631 HydrophobicContact CD2-CG2 3.68Å; V631-V633 HydrophobicContact CG1-CG2 3.86Å; V631-N644 HydrophobicContact CG1-CB 3.89Å; V631-M645 CarbonylContact C-O 3.4Å; V631-M645 WeakPolarHBondContact CA-O 3.31Å; V631-T646 HydrophobicContact CG2-CG2 4.32Å |
| 632 | C | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.9 | 160.9 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | C580 V590 E591 W592 N644 M645 | C580-C632 HydrophobicContact CB-CB 3.71Å; C580-C632 WeakPolarHBondContact CB-SG 3.48Å; C580-C632 WeakPolarHBondContact SG-CB 3.21Å; C580-C632 CovalentContact SG-SG 2.03Å; C580-C632 PolarHBondContact SG-SG 2.86Å; V590-C632 VanDerWaalsContact CG1-SG 3.5Å; E591-C632 WeakPolarHBondContact O-CA 3.35Å; W592-C632 HydrophobicContact CD2-CB 3.96Å; W592-C632 HydrophobicContact CE3-CB 3.91Å; W592-C632 HydrophobicContact CH2-CB 3.95Å; W592-C632 HydrophobicContact CZ2-CB 4.01Å; W592-C632 HydrophobicContact CZ3-CB 3.89Å; C632-N644 CarbonylContact O-C 3.47Å; C632-N644 VanDerWaalsContact O-CA 3.28Å; C632-N644 WeakPolarHBondContact O-CA 3.09Å; C632-M645 HydrophobicContact CB-CB 4.43Å; C632-M645 PolarHBondContact N-O 2.8Å; C632-M645 PolarHBondContact O-N 3.05Å |
| 633 | V | 92.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.7 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | E591 F593 L603 V631 K635 Q642 I643 N644 | E591-V633 PolarHBondContact N-O 2.96Å; E591-V633 PolarHBondContact O-N 2.88Å; F593-V633 HydrophobicContact CD2-CB 4.47Å; F593-V633 HydrophobicContact CD2-CG2 3.81Å; F593-V633 HydrophobicContact CE2-CB 4.1Å; F593-V633 HydrophobicContact CE2-CG2 3.8Å; L603-V633 HydrophobicContact CD1-CG2 4.31Å; V631-V633 HydrophobicContact CG1-CG2 3.86Å; V633-K635 HydrophobicContact CG1-CG 4.21Å; V633-Q642 HydrophobicContact CG1-CG 3.56Å; V633-I643 WeakPolarHBondContact CA-O 3.32Å; V633-N644 HydrophobicContact CG2-CB 4.25Å |
| 634 | A | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L559 F561 A582 T589 V590 Q642 I643 | L559-A634 HydrophobicContact CD1-CB 4.4Å; F561-A634 HydrophobicContact CD1-CB 4.41Å; F561-A634 HydrophobicContact CE1-CB 3.67Å; F561-A634 HydrophobicContact CZ-CB 4.15Å; A582-A634 HydrophobicContact CB-CB 3.45Å; A582-A634 VanDerWaalsContact CB-CB 3.45Å; T589-A634 VanDerWaalsContact O-CA 3.31Å; T589-A634 WeakPolarHBondContact O-CA 3.48Å; V590-A634 HydrophobicContact CG2-CB 4.41Å; A634-Q642 WeakPolarHBondContact O-CA 3.44Å; A634-I643 HydrophobicContact CB-CD1 4.32Å; A634-I643 HydrophobicContact CB-CG1 3.85Å; A634-I643 PolarHBondContact N-O 2.91Å; A634-I643 PolarHBondContact O-N 3.03Å |
| 635 | K | 91.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.5 | 177.8 | -62.9 | 167.1 | -172.6 | 167.2 | 0 | 109 | V588 T589 E591 V633 A641 Q642 | V588-K635 CarbonylContact C-O 3.5Å; V588-K635 VanDerWaalsContact CA-O 3.29Å; V588-K635 WeakPolarHBondContact CA-O 3.49Å; T589-K635 PolarHBondContact N-O 3.33Å; T589-K635 PolarHBondContact O-N 2.85Å; E591-K635 IonicContact OE1-NZ 3.35Å; E591-K635 PolarHBondContact OE1-NZ 3.25Å; E591-K635 WeakPolarHBondContact OE2-CE 3.39Å; E591-K635 IonicContact OE2-NZ 2.72Å; E591-K635 PolarHBondContact OE2-NZ 3.38Å; V633-K635 HydrophobicContact CG1-CG 4.21Å; K635-A641 CarbonylContact C-O 3.45Å; K635-A641 WeakPolarHBondContact CA-O 3.4Å; K635-Q642 HydrophobicContact CG-CB 4.37Å; K635-Q642 HydrophobicContact CG-CG 3.87Å |
| 636 | S | 90.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146 | 165.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | Y585 Y638 N640 A641 | Y585-S636 PolarHBondContact O-OG 2.89Å; S636-Y638 PolarHBondContact O-N 2.97Å; S636-Y638 PolarHBondContact OG-N 3.39Å; S636-N640 CarbonylContact O-C 3.52Å; S636-N640 WeakPolarHBondContact O-CA 3.07Å; S636-A641 PolarHBondContact N-O 2.89Å; S636-A641 PolarHBondContact O-N 2.79Å |
| 637 | T | 88 | Confident | 90.1 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -68 | -18.4 | 166.4 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | T587 K639 | T587-T637 PolarHBondContact N-OG1 3.45Å; T587-T637 VanDerWaalsContact N-OG1 3.13Å; T587-T637 WeakPolarHBondContact OG1-CG2 3.28Å; T587-T637 PolarHBondContact OG1-OG1 3.13Å; T637-K639 PolarHBondContact O-N 3.48Å |
| 638 | Y | 83.9 | Confident | 90.2 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -74.7 | 125.5 | 173.5 | -171.6 | -123.1 | 0 | 0 | 0 | 111.4 | D473 K556 Y585 S636 N640 A641 | D473-Y638 PolarHBondContact OD1-OH 2.92Å; K556-Y638 HydrophobicContact CB-CE1 3.93Å; K556-Y638 HydrophobicContact CD-CE2 4.44Å; Y585-Y638 HydrophobicContact CD1-CD1 4.08Å; Y585-Y638 AromaticContact CD1-CD2 3.62Å; Y585-Y638 HydrophobicContact CD1-CD2 3.62Å; Y585-Y638 HydrophobicContact CD1-CE2 4.16Å; Y585-Y638 AromaticContact CD1-CG 3.61Å; Y585-Y638 HydrophobicContact CD1-CG 3.61Å; Y585-Y638 HydrophobicContact CE1-CD2 4.14Å; Y585-Y638 HydrophobicContact CE1-CE2 4.48Å; Y585-Y638 HydrophobicContact CG-CD1 4.46Å; Y585-Y638 HydrophobicContact CG-CG 4.36Å; Y585-Y638 VanDerWaalsContact O-CB 3.24Å; Y585-Y638 WeakPolarHBondContact O-CB 3.48Å; S636-Y638 PolarHBondContact O-N 2.97Å; S636-Y638 PolarHBondContact OG-N 3.39Å; Y638-N640 PolarHBondContact O-N 3.31Å; Y638-A641 PolarHBondContact O-N 2.72Å |
| 639 | K | 84.5 | Confident | 90.2 | Very high | 135 Ų | 135 | 46.2 Ų | 46.2 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | 52.6 | 16.6 | -174.5 | -68.9 | 167.1 | 169.8 | 154.8 | 0 | 113.7 | D473 T637 A641 | D473-K639 IonicContact OD1-NZ 2.78Å; D473-K639 PolarHBondContact OD1-NZ 2.73Å; D473-K639 IonicContact OD2-NZ 3.76Å; D473-K639 PolarHBondContact OD2-NZ 2.87Å; T637-K639 PolarHBondContact O-N 3.48Å; K639-A641 PolarHBondContact O-N 2.88Å |
| 640 | N | 86.3 | Confident | 90 | Very high | 143 Ų | 143 | 46.2 Ų | 46.2 | 77% | 0.765 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | 46.8 | 36.2 | -167.1 | -67.7 | -26.9 | 0 | 0 | 0 | 113.5 | S636 Y638 | S636-N640 CarbonylContact O-C 3.52Å; S636-N640 WeakPolarHBondContact O-CA 3.07Å; Y638-N640 PolarHBondContact O-N 3.31Å |
| 641 | A | 87 | Confident | 89.8 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -67 | 142 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L559 K635 S636 Y638 K639 | L559-A641 HydrophobicContact CB-CB 4.01Å; L559-A641 VanDerWaalsContact CD2-C 3.47Å; L559-A641 HydrophobicContact CD2-CB 3.7Å; L559-A641 VanDerWaalsContact CD2-O 3.23Å; L559-A641 WeakPolarHBondContact CD2-O 3.34Å; K635-A641 CarbonylContact C-O 3.45Å; K635-A641 WeakPolarHBondContact CA-O 3.4Å; S636-A641 PolarHBondContact N-O 2.89Å; S636-A641 PolarHBondContact O-N 2.79Å; Y638-A641 PolarHBondContact O-N 2.72Å; K639-A641 PolarHBondContact O-N 2.88Å | ||
| 642 | Q | 91.2 | Very high | 89.4 | Confident | 122 Ų | 122 | 46.3 Ų | 46.3 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.4 | 171.9 | -175.5 | -179.2 | -87.3 | 0 | 0 | 109.8 | V633 A634 K635 | V633-Q642 HydrophobicContact CG1-CG 3.56Å; A634-Q642 WeakPolarHBondContact O-CA 3.44Å; K635-Q642 HydrophobicContact CG-CB 4.37Å; K635-Q642 HydrophobicContact CG-CG 3.87Å |
| 643 | I | 92.5 | Very high | 88.9 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.4 | 173.1 | 62 | 174.2 | 0 | 0 | 0 | 109.9 | L559 F561 V633 A634 | L559-I643 HydrophobicContact CD1-CD1 4.45Å; L559-I643 HydrophobicContact CD2-CG1 4.13Å; L559-I643 HydrophobicContact CD2-CG2 4.34Å; L559-I643 HydrophobicContact CG-CD1 3.94Å; L559-I643 HydrophobicContact CG-CG1 3.94Å; L559-I643 HydrophobicContact CG-CG2 4.3Å; F561-I643 HydrophobicContact CD1-CD1 4.19Å; F561-I643 HydrophobicContact CD2-CD1 3.54Å; F561-I643 HydrophobicContact CD2-CG1 4.18Å; F561-I643 HydrophobicContact CE1-CD1 4.16Å; F561-I643 HydrophobicContact CE1-CG1 4.23Å; F561-I643 HydrophobicContact CE2-CB 4.03Å; F561-I643 HydrophobicContact CE2-CD1 3.49Å; F561-I643 VanDerWaalsContact CE2-CD1 3.49Å; F561-I643 HydrophobicContact CE2-CG1 3.58Å; F561-I643 HydrophobicContact CG-CD1 3.91Å; F561-I643 HydrophobicContact CZ-CB 4.38Å; F561-I643 HydrophobicContact CZ-CD1 3.83Å; F561-I643 HydrophobicContact CZ-CG1 3.63Å; V633-I643 WeakPolarHBondContact CA-O 3.32Å; A634-I643 HydrophobicContact CB-CD1 4.32Å; A634-I643 HydrophobicContact CB-CG1 3.85Å; A634-I643 PolarHBondContact N-O 2.91Å; A634-I643 PolarHBondContact O-N 3.03Å |
| 644 | N | 92.1 | Very high | 88.3 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136 | -179.3 | 58.9 | -24.3 | 0 | 0 | 0 | 112.5 | V631 C632 V633 | V631-N644 HydrophobicContact CG1-CB 3.89Å; C632-N644 CarbonylContact O-C 3.47Å; C632-N644 VanDerWaalsContact O-CA 3.28Å; C632-N644 WeakPolarHBondContact O-CA 3.09Å; V633-N644 HydrophobicContact CG2-CB 4.25Å |
| 645 | M | 91.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.9 | 175.6 | -175.1 | -166 | -42.4 | 0 | 0 | 108.2 | F561 R563 E564 F565 V631 C632 V647 | F561-M645 HydrophobicContact CB-CE 3.62Å; F561-M645 HydrophobicContact CD1-CE 3.55Å; F561-M645 HydrophobicContact CD2-CB 4.08Å; F561-M645 HydrophobicContact CD2-CE 3.68Å; F561-M645 HydrophobicContact CE1-CB 4.37Å; F561-M645 HydrophobicContact CE1-CE 4.09Å; F561-M645 HydrophobicContact CE2-CB 3.63Å; F561-M645 HydrophobicContact CE2-CE 4.2Å; F561-M645 HydrophobicContact CG-CE 3.32Å; F561-M645 HydrophobicContact CZ-CB 3.78Å; F561-M645 HydrophobicContact CZ-CE 4.38Å; R563-M645 WeakPolarHBondContact O-CE 3.28Å; E564-M645 HydrophobicContact CG-CE 4.22Å; F565-M645 HydrophobicContact CD1-SD 3.9Å; F565-M645 HydrophobicContact CE1-SD 3.95Å; F565-M645 HydrophobicContact CG-SD 4.4Å; V631-M645 CarbonylContact C-O 3.4Å; V631-M645 WeakPolarHBondContact CA-O 3.31Å; C632-M645 HydrophobicContact CB-CB 4.43Å; C632-M645 PolarHBondContact N-O 2.8Å; C632-M645 PolarHBondContact O-N 3.05Å; M645-V647 HydrophobicContact CG-CG2 4.11Å; M645-V647 HydrophobicContact SD-CG2 3.83Å |
| 646 | T | 90.2 | Very high | 87.4 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.1 | 170.1 | -54.2 | 0 | 0 | 0 | 0 | 108.9 | K595 D629 V631 | K595-T646 HydrophobicContact CD-CG2 4.3Å; D629-T646 HydrophobicContact CB-CG2 3.83Å; V631-T646 HydrophobicContact CG2-CG2 4.32Å |
| 647 | V | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.4 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | F565 H568 I578 W592 Y630 M645 V649 | F565-V647 HydrophobicContact CD2-CG1 3.9Å; F565-V647 HydrophobicContact CD2-CG2 4.03Å; F565-V647 HydrophobicContact CE2-CB 4.4Å; F565-V647 HydrophobicContact CE2-CG1 3.69Å; F565-V647 HydrophobicContact CE2-CG2 3.76Å; F565-V647 HydrophobicContact CZ-CG2 4.19Å; H568-V647 HydrophobicContact CB-CG1 3.51Å; I578-V647 HydrophobicContact CG2-CG1 4.25Å; W592-V647 HydrophobicContact CH2-CB 4.41Å; W592-V647 HydrophobicContact CH2-CG2 3.97Å; W592-V647 HydrophobicContact CZ3-CB 4.43Å; W592-V647 HydrophobicContact CZ3-CG2 4.28Å; Y630-V647 PolarHBondContact N-O 2.89Å; Y630-V647 PolarHBondContact O-N 2.85Å; M645-V647 HydrophobicContact CG-CG2 4.11Å; M645-V647 HydrophobicContact SD-CG2 3.83Å; V647-V649 HydrophobicContact CG1-CG2 4.24Å; V647-V649 PolarHBondContact O-N 3.21Å |
| 648 | S | 88.9 | Confident | 87 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 104.9 | 168.2 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | R566 E567 H568 D629 | R566-S648 PolarHBondContact O-N 2.8Å; E567-S648 WeakPolarHBondContact CA-O 3.5Å; H568-S648 PolarHBondContact N-O 3.39Å; D629-S648 WeakPolarHBondContact OD1-CA 3.41Å; D629-S648 WeakPolarHBondContact OD1-CB 3.47Å; D629-S648 PolarHBondContact OD1-OG 2.88Å |
| 649 | V | 90.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.5 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | H568 L570 I578 A627 G628 Y630 V647 V651 | H568-V649 WeakPolarHBondContact O-CA 3.2Å; L570-V649 HydrophobicContact CD1-CG1 3.6Å; L570-V649 HydrophobicContact CG-CG1 4Å; I578-V649 HydrophobicContact CD1-CG2 3.49Å; I578-V649 VanDerWaalsContact CD1-CG2 3.49Å; I578-V649 HydrophobicContact CG1-CG2 4.42Å; A627-V649 CarbonylContact C-O 3.56Å; A627-V649 VanDerWaalsContact CA-O 3.28Å; A627-V649 WeakPolarHBondContact CA-O 3.42Å; G628-V649 PolarHBondContact N-O 2.97Å; G628-V649 WeakPolarHBondContact O-CB 3.36Å; G628-V649 PolarHBondContact O-N 3.07Å; Y630-V649 HydrophobicContact CD2-CB 3.74Å; Y630-V649 HydrophobicContact CD2-CG2 3.35Å; Y630-V649 HydrophobicContact CE2-CB 3.84Å; Y630-V649 HydrophobicContact CE2-CG1 4.37Å; Y630-V649 HydrophobicContact CE2-CG2 3.86Å; Y630-V649 HydrophobicContact CG-CG2 4.12Å; V647-V649 HydrophobicContact CG1-CG2 4.24Å; V647-V649 PolarHBondContact O-N 3.21Å; V649-V651 HydrophobicContact CG1-CG2 4.31Å |
| 650 | I | 86.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 54 Ų | 54 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.5 | -177.9 | -57.2 | 175.6 | 0 | 0 | 0 | 107.5 | E567 H568 F569 L570 H805 | E567-I650 HydrophobicContact CB-CD1 4.43Å; E567-I650 HydrophobicContact CG-CD1 4.22Å; E567-I650 WeakPolarHBondContact OE2-CD1 3.31Å; H568-I650 PolarHBondContact O-N 2.78Å; F569-I650 CarbonylContact C-O 3.49Å; F569-I650 VanDerWaalsContact CA-O 3.3Å; F569-I650 WeakPolarHBondContact CA-O 3.48Å; F569-I650 HydrophobicContact CD2-CG2 4.5Å; L570-I650 PolarHBondContact N-O 3.25Å; I650-H805 WeakPolarHBondContact CD1-CE1 3.38Å |
| 651 | V | 88 | Confident | 87.6 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.2 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | L570 I572 V622 K624 D626 A627 V649 | L570-V651 HydrophobicContact CB-CG2 4.46Å; L570-V651 WeakPolarHBondContact O-CA 3.2Å; I572-V651 HydrophobicContact CB-CG1 4.13Å; I572-V651 HydrophobicContact CG1-CG1 4.28Å; V622-V651 HydrophobicContact CG1-CB 4.17Å; V622-V651 HydrophobicContact CG1-CG1 3.47Å; V622-V651 VanDerWaalsContact CG1-CG1 3.47Å; V622-V651 HydrophobicContact CG1-CG2 3.62Å; K624-V651 HydrophobicContact CG-CG1 4.41Å; D626-V651 HydrophobicContact CB-CG2 4.45Å; A627-V651 HydrophobicContact CB-CB 4.23Å; A627-V651 HydrophobicContact CB-CG2 4.08Å; V649-V651 HydrophobicContact CG1-CG2 4.31Å |
| 652 | G | 85 | Confident | 87.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | -162.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F569 L570 E571 I572 D681 | F569-G652 VanDerWaalsContact CZ-C 3.49Å; L570-G652 PolarHBondContact O-N 2.95Å; E571-G652 WeakPolarHBondContact CA-O 3.15Å; I572-G652 PolarHBondContact N-O 3.38Å; G652-D681 CarbonylContact C-O 3.5Å; G652-D681 VanDerWaalsContact CA-O 3.27Å; G652-D681 WeakPolarHBondContact CA-O 3.33Å |
| 653 | E | 82.9 | Confident | 87.4 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.1 | -178 | -71.7 | 168.5 | -149.9 | 0 | 0 | 109 | I572 D681 | I572-E653 HydrophobicContact CG2-CG 3.5Å; I572-E653 VanDerWaalsContact CG2-CG 3.5Å; E653-D681 HydrophobicContact CB-CB 4.12Å; E653-D681 PolarHBondContact N-O 3.29Å; E653-D681 PolarHBondContact O-N 3.09Å; E653-D681 VanDerWaalsContact O-O 3.14Å |
| 654 | K | 79.2 | Confident | 87.1 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 149.1 | 175.8 | 68.1 | 171.5 | 162.8 | -75.4 | 0 | 110.4 | E571 Q656 I807 | E571-K654 IonicContact OE1-NZ 2.89Å; E571-K654 PolarHBondContact OE1-NZ 2.79Å; E571-K654 WeakPolarHBondContact OE2-CD 3.13Å; E571-K654 IonicContact OE2-NZ 3.55Å; E571-K654 PolarHBondContact OE2-NZ 2.95Å; K654-Q656 PolarHBondContact O-N 2.83Å; K654-I807 HydrophobicContact CB-CG2 4.02Å |
| 655 | P | 83.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 129.9 | 171.7 | -30.6 | 39.7 | 0 | 0 | 0 | 112.3 | S679 P684 A801 N803 T809 | P655-S679 CarbonylContact C-O 3.59Å; P655-S679 VanDerWaalsContact CA-O 3.3Å; P655-S679 WeakPolarHBondContact CA-O 3.49Å; P655-P684 HydrophobicContact CB-CB 3.86Å; P655-P684 HydrophobicContact CB-CG 4.22Å; P655-P684 HydrophobicContact CG-CB 3.92Å; P655-A801 HydrophobicContact CB-CB 4.36Å; P655-A801 WeakPolarHBondContact CB-O 3.25Å; P655-N803 HydrophobicContact CG-CB 3.98Å; P655-T809 HydrophobicContact CB-CG2 3.92Å; P655-T809 VanDerWaalsContact O-CB 3.29Å; P655-T809 WeakPolarHBondContact O-CB 3.39Å; P655-T809 WeakPolarHBondContact O-CG2 3.24Å |
| 656 | Q | 83 | Confident | 86.8 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | 173.2 | -58.9 | -173.5 | 24.7 | 0 | 0 | 108.2 | K654 S658 A678 S679 | K654-Q656 PolarHBondContact O-N 2.83Å; Q656-S658 PolarHBondContact O-N 3.47Å; Q656-A678 CarbonylContact O-C 3.57Å; Q656-A678 WeakPolarHBondContact O-CA 3.37Å; Q656-A678 WeakPolarHBondContact O-CB 3.39Å; Q656-S679 PolarHBondContact N-O 3.04Å; Q656-S679 PolarHBondContact O-N 2.87Å |
| 657 | I | 85.9 | Confident | 86.6 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110.1 | 172.8 | -68.7 | 161.3 | 0 | 0 | 0 | 106.8 | I660 H677 A678 C799 A801 T809 Q811 | I657-I660 HydrophobicContact CG2-CB 4.18Å; I657-H677 CarbonylContact C-O 3.57Å; I657-H677 WeakPolarHBondContact CA-O 3.49Å; I657-A678 HydrophobicContact CG1-CB 4.14Å; I657-C799 HydrophobicContact CD1-CB 4.15Å; I657-A801 HydrophobicContact CD1-CB 4.42Å; I657-A801 HydrophobicContact CG1-CB 3.97Å; I657-T809 HydrophobicContact CD1-CG2 3.98Å; I657-T809 HydrophobicContact CG1-CG2 3.81Å; I657-Q811 HydrophobicContact CD1-CB 3.65Å |
| 658 | S | 84.6 | Confident | 86.4 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -26.7 | -177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | Q656 H677 | Q656-S658 PolarHBondContact O-N 3.47Å; S658-H677 PolarHBondContact N-O 3.38Å; S658-H677 PolarHBondContact OG-O 3.3Å |
| 659 | Q | 86.8 | Confident | 86.1 | Confident | 125 Ų | 125 | 53 Ų | 53 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154 | 137.7 | 175.1 | -172.4 | 178.1 | 3.2 | 0 | 0 | 110.3 | C676 H677 | Q659-C676 CarbonylContact O-C 3.5Å; Q659-C676 WeakPolarHBondContact O-CA 3.48Å; Q659-H677 HydrophobicContact CB-CB 4.33Å; Q659-H677 PolarHBondContact N-O 3.21Å; Q659-H677 PolarHBondContact O-N 3.31Å |
| 660 | I | 90.2 | Very high | 86 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.9 | 166.4 | -164.6 | 170.2 | 0 | 0 | 0 | 109.1 | I657 A662 N675 C676 W688 C799 Q811 V813 | I657-I660 HydrophobicContact CG2-CB 4.18Å; I660-A662 PolarHBondContact O-N 3.47Å; I660-N675 CarbonylContact C-O 3.4Å; I660-N675 WeakPolarHBondContact CA-O 3.24Å; I660-C676 HydrophobicContact CG1-CB 4.41Å; I660-W688 HydrophobicContact CD1-CH2 4.14Å; I660-W688 HydrophobicContact CD1-CZ3 4.34Å; I660-W688 HydrophobicContact CG1-CH2 4.19Å; I660-C799 HydrophobicContact CD1-CB 3.76Å; I660-Q811 HydrophobicContact CD1-CB 4.2Å; I660-Q811 HydrophobicContact CD1-CG 4.3Å; I660-Q811 WeakPolarHBondContact CD1-O 3.33Å; I660-Q811 HydrophobicContact CG2-CG 4.14Å; I660-V813 HydrophobicContact CD1-CB 4.22Å; I660-V813 HydrophobicContact CD1-CG1 4.15Å; I660-V813 HydrophobicContact CG1-CB 4.46Å; I660-V813 HydrophobicContact CG1-CG1 4.4Å |
| 661 | S | 88.5 | Confident | 86.1 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 136.4 | 166.5 | -76.3 | 0 | 0 | 0 | 0 | 110.9 | N675 V813 | S661-N675 PolarHBondContact N-O 2.95Å; S661-N675 PolarHBondContact OG-N 3.22Å; S661-V813 WeakPolarHBondContact O-CB 3.27Å; S661-V813 WeakPolarHBondContact O-CG2 3.39Å |
| 662 | A | 86.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 67% | 0.669 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 162.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I660 Q664 V813 | I660-A662 PolarHBondContact O-N 3.47Å; A662-Q664 WeakPolarHBondContact O-CG 3.37Å; A662-Q664 PolarHBondContact O-N 2.73Å; A662-V813 VanDerWaalsContact O-CG2 3.29Å; A662-V813 WeakPolarHBondContact O-CG2 3.47Å |
| 663 | N | 88.4 | Confident | 86.4 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -54 | 128.8 | 178.2 | -67.1 | -20.4 | 0 | 0 | 0 | 111.2 | F814 | N663-F814 WeakPolarHBondContact CA-O 3.4Å; N663-F814 PolarHBondContact OD1-N 2.69Å |
| 664 | Q | 85.7 | Confident | 86.9 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.1 | -174.9 | -53.9 | -164.3 | 32.9 | 0 | 0 | 110.6 | A662 V672 I673 L674 F814 V815 R816 | A662-Q664 WeakPolarHBondContact O-CG 3.37Å; A662-Q664 PolarHBondContact O-N 2.73Å; Q664-V672 HydrophobicContact CB-CG2 4.5Å; Q664-V672 VanDerWaalsContact OE1-CG2 3.29Å; Q664-I673 PolarHBondContact NE2-O 2.92Å; Q664-L674 HydrophobicContact CG-CD2 4.48Å; Q664-F814 PolarHBondContact N-O 3.11Å; Q664-V815 WeakPolarHBondContact O-CA 3.42Å; Q664-R816 PolarHBondContact O-N 3.39Å |
| 665 | T | 87.7 | Confident | 87.5 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.9 | 166.9 | -59 | 0 | 0 | 0 | 0 | 107.9 | R816 L818 | T665-R816 WeakPolarHBondContact CA-O 3.23Å; T665-R816 HydrophobicContact CG2-CB 4.29Å; T665-R816 HydrophobicContact CG2-CG 4.4Å; T665-L818 HydrophobicContact CG2-CD1 3.56Å; T665-L818 HydrophobicContact CG2-CG 3.79Å |
| 666 | I | 88.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.8 | -170.7 | -166.1 | 170.3 | 0 | 0 | 0 | 112.4 | N670 Q671 V672 V789 V815 R816 V817 L818 | I666-N670 HydrophobicContact CD1-CB 3.72Å; I666-N670 HydrophobicContact CG1-CB 3.79Å; I666-Q671 VanDerWaalsContact CD1-O 3.3Å; I666-Q671 WeakPolarHBondContact CD1-O 3.43Å; I666-V672 HydrophobicContact CD1-CB 3.72Å; I666-V672 HydrophobicContact CD1-CG2 4.34Å; I666-V789 HydrophobicContact CD1-CG2 4.35Å; I666-V789 HydrophobicContact CG2-CB 4.47Å; I666-V789 HydrophobicContact CG2-CG1 3.95Å; I666-V789 HydrophobicContact CG2-CG2 4.43Å; I666-V815 HydrophobicContact CG2-CG1 3.93Å; I666-R816 PolarHBondContact N-O 2.66Å; I666-V817 HydrophobicContact CG2-CG2 4.32Å; I666-V817 WeakPolarHBondContact O-CA 3.47Å; I666-L818 PolarHBondContact O-N 3.48Å |
| 667 | R | 85.8 | Confident | 88.2 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.2 | 174 | -170.4 | 178.1 | 161 | 171.4 | -4.1 | 111.5 | G669 N670 L818 Y823 | R667-G669 PolarHBondContact O-N 2.79Å; R667-N670 WeakPolarHBondContact O-CB 3.44Å; R667-N670 PolarHBondContact O-N 2.98Å; R667-L818 WeakPolarHBondContact CA-O 3.38Å; R667-Y823 HydrophobicContact CB-CD1 4Å; R667-Y823 HydrophobicContact CB-CD2 3.65Å; R667-Y823 HydrophobicContact CB-CE1 4.28Å; R667-Y823 HydrophobicContact CB-CE2 3.96Å; R667-Y823 HydrophobicContact CB-CG 3.67Å; R667-Y823 HydrophobicContact CG-CD1 4.22Å; R667-Y823 HydrophobicContact CG-CD2 4.43Å; R667-Y823 HydrophobicContact CG-CG 3.98Å |
| 668 | V | 88 | Confident | 88.4 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 133.4 | 167.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | V789 L791 V817 L818 | V668-V789 WeakPolarHBondContact CA-O 3.47Å; V668-L791 HydrophobicContact CG2-CD1 3.69Å; V668-L791 HydrophobicContact CG2-CG 3.69Å; V668-V817 HydrophobicContact CG2-CG1 3.58Å; V668-L818 WeakPolarHBondContact CG2-O 3.37Å; V668-L818 PolarHBondContact N-O 2.58Å |
| 669 | G | 83.8 | Confident | 88.5 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -21.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R667 V789 | R667-G669 PolarHBondContact O-N 2.79Å; G669-V789 PolarHBondContact N-O 3.4Å |
| 670 | N | 88.2 | Confident | 88.3 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.2 | 163.7 | 175.9 | -68.8 | 7.8 | 0 | 0 | 0 | 111.6 | I666 R667 V789 | I666-N670 HydrophobicContact CD1-CB 3.72Å; I666-N670 HydrophobicContact CG1-CB 3.79Å; R667-N670 WeakPolarHBondContact O-CB 3.44Å; R667-N670 PolarHBondContact O-N 2.98Å; N670-V789 WeakPolarHBondContact O-CB 3.42Å; N670-V789 WeakPolarHBondContact O-CG2 3.46Å; N670-V789 PolarHBondContact O-N 3.05Å |
| 671 | Q | 87.5 | Confident | 87.9 | Confident | 100 Ų | 100 | 49.6 Ų | 49.6 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | trans | -87.2 | 132.1 | 169.8 | 173.2 | 173.9 | -37.2 | 0 | 0 | 110.7 | I666 I673 I785 I786 | I666-Q671 VanDerWaalsContact CD1-O 3.3Å; I666-Q671 WeakPolarHBondContact CD1-O 3.43Å; Q671-I673 HydrophobicContact CG-CG1 4.37Å; Q671-I785 HydrophobicContact CG-CG2 3.87Å; Q671-I786 VanDerWaalsContact CA-O 3.22Å; Q671-I786 WeakPolarHBondContact CA-O 3.34Å; Q671-I786 WeakPolarHBondContact CG-O 3.43Å | ||
| 672 | V | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.8 | 164.7 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | Q664 I666 L674 I786 V789 | Q664-V672 HydrophobicContact CB-CG2 4.5Å; Q664-V672 VanDerWaalsContact OE1-CG2 3.29Å; I666-V672 HydrophobicContact CD1-CB 3.72Å; I666-V672 HydrophobicContact CD1-CG2 4.34Å; V672-L674 HydrophobicContact CG2-CD2 3.92Å; V672-L674 HydrophobicContact CG2-CG 4.46Å; V672-I786 HydrophobicContact CG1-CB 3.79Å; V672-I786 HydrophobicContact CG1-CD1 3.72Å; V672-I786 HydrophobicContact CG1-CG1 3.78Å; V672-I786 PolarHBondContact N-O 3Å; V672-I786 PolarHBondContact O-N 2.86Å; V672-V789 HydrophobicContact CB-CG2 4.04Å; V672-V789 HydrophobicContact CG1-CG2 3.69Å |
| 673 | I | 89.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 36% | 0.359 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120 | 171.3 | -55.9 | 178.7 | 0 | 0 | 0 | 107.1 | Q664 Q671 N675 I785 | Q664-I673 PolarHBondContact NE2-O 2.92Å; Q671-I673 HydrophobicContact CG-CG1 4.37Å; I673-N675 WeakPolarHBondContact CG2-OD1 3.43Å; I673-I785 HydrophobicContact CD1-CD1 4.44Å; I673-I785 HydrophobicContact CG1-CD1 4.36Å; I673-I785 HydrophobicContact CG1-CG1 4.15Å; I673-I785 HydrophobicContact CG1-CG2 4.4Å; I673-I785 HydrophobicContact CG2-CG1 4.24Å |
| 674 | L | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.7 | 172.1 | -53.3 | 179.4 | 0 | 0 | 0 | 107.7 | Q664 V672 W688 S783 L784 Y797 V813 V815 | Q664-L674 HydrophobicContact CG-CD2 4.48Å; V672-L674 HydrophobicContact CG2-CD2 3.92Å; V672-L674 HydrophobicContact CG2-CG 4.46Å; L674-W688 HydrophobicContact CB-CH2 3.69Å; L674-W688 HydrophobicContact CB-CZ2 3.96Å; L674-W688 HydrophobicContact CB-CZ3 4.29Å; L674-W688 HydrophobicContact CD1-CH2 4.45Å; L674-W688 HydrophobicContact CD1-CZ3 4.23Å; L674-W688 WeakPolarHBondContact O-CZ2 3.5Å; L674-S783 CarbonylContact O-C 3.49Å; L674-S783 WeakPolarHBondContact O-CA 3.14Å; L674-L784 HydrophobicContact CB-CB 4.34Å; L674-L784 HydrophobicContact CD1-CD2 4.33Å; L674-L784 PolarHBondContact N-O 2.86Å; L674-L784 PolarHBondContact O-N 2.75Å; L674-Y797 HydrophobicContact CD1-CD1 3.67Å; L674-Y797 HydrophobicContact CD1-CD2 4.06Å; L674-Y797 HydrophobicContact CD1-CE1 4.44Å; L674-Y797 HydrophobicContact CD1-CG 3.47Å; L674-Y797 VanDerWaalsContact CD1-CG 3.47Å; L674-V813 HydrophobicContact CD1-CG1 3.96Å; L674-V813 HydrophobicContact CD2-CG1 4.13Å; L674-V813 HydrophobicContact CD2-CG2 4.48Å; L674-V813 HydrophobicContact CG-CG1 4.45Å; L674-V815 HydrophobicContact CD1-CG2 3.94Å; L674-V815 HydrophobicContact CD2-CG2 3.78Å; L674-V815 HydrophobicContact CG-CG2 4.38Å |
| 675 | N | 91.2 | Very high | 87 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | trans | -90 | 139.6 | 174.1 | -69.4 | -21.1 | 0 | 0 | 0 | 109.4 | I660 S661 I673 S783 | I660-N675 CarbonylContact C-O 3.4Å; I660-N675 WeakPolarHBondContact CA-O 3.24Å; S661-N675 PolarHBondContact N-O 2.95Å; S661-N675 PolarHBondContact OG-N 3.22Å; I673-N675 WeakPolarHBondContact CG2-OD1 3.43Å; N675-S783 WeakPolarHBondContact OD1-CB 3.33Å; N675-S783 PolarHBondContact OD1-OG 3.13Å | ||
| 676 | C | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.2 | 166.1 | -173.5 | 0 | 0 | 0 | 0 | 107.3 | Q659 I660 I686 W688 G782 C799 | Q659-C676 CarbonylContact O-C 3.5Å; Q659-C676 WeakPolarHBondContact O-CA 3.48Å; I660-C676 HydrophobicContact CG1-CB 4.41Å; C676-I686 HydrophobicContact CB-CD1 4.47Å; C676-I686 HydrophobicContact CB-CG2 4.23Å; C676-I686 VanDerWaalsContact O-CD1 3.22Å; C676-I686 WeakPolarHBondContact O-CD1 3.24Å; C676-W688 HydrophobicContact CB-CH2 4.01Å; C676-W688 HydrophobicContact CB-CZ2 3.48Å; C676-W688 VanDerWaalsContact CB-CZ2 3.48Å; C676-G782 PolarHBondContact N-O 3.48Å; C676-G782 WeakPolarHBondContact O-CA 3.43Å; C676-C799 HydrophobicContact CB-CB 3.72Å; C676-C799 WeakPolarHBondContact CB-SG 3.39Å; C676-C799 WeakPolarHBondContact SG-CB 3.39Å; C676-C799 CovalentContact SG-SG 2.03Å; C676-C799 PolarHBondContact SG-SG 2.82Å |
| 677 | H | 90.8 | Very high | 86.9 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.8 | 171.4 | -64.6 | -60.9 | 0 | 0 | 0 | 108 | I657 S658 Q659 | I657-H677 CarbonylContact C-O 3.57Å; I657-H677 WeakPolarHBondContact CA-O 3.49Å; S658-H677 PolarHBondContact N-O 3.38Å; S658-H677 PolarHBondContact OG-O 3.3Å; Q659-H677 HydrophobicContact CB-CB 4.33Å; Q659-H677 PolarHBondContact N-O 3.21Å; Q659-H677 PolarHBondContact O-N 3.31Å |
| 678 | A | 88.3 | Confident | 87 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q656 I657 H683 P684 I686 A801 | Q656-A678 CarbonylContact O-C 3.57Å; Q656-A678 WeakPolarHBondContact O-CA 3.37Å; Q656-A678 WeakPolarHBondContact O-CB 3.39Å; I657-A678 HydrophobicContact CG1-CB 4.14Å; A678-H683 PolarHBondContact O-CE1 3.41Å; A678-P684 HydrophobicContact CB-CG 3.62Å; A678-I686 HydrophobicContact CB-CD1 4.02Å; A678-I686 HydrophobicContact CB-CG1 4.27Å; A678-A801 HydrophobicContact CB-CB 3.43Å; A678-A801 VanDerWaalsContact CB-CB 3.43Å |
| 679 | S | 86.7 | Confident | 86.9 | Confident | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 168.1 | 168.2 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | P655 Q656 | P655-S679 CarbonylContact C-O 3.59Å; P655-S679 VanDerWaalsContact CA-O 3.3Å; P655-S679 WeakPolarHBondContact CA-O 3.49Å; Q656-S679 PolarHBondContact N-O 3.04Å; Q656-S679 PolarHBondContact O-N 2.87Å |
| 680 | G | 84.5 | Confident | 86.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.7 | 161.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P682 H683 | G680-P682 CarbonylContact C-O 3.59Å; G680-P682 CarbonylContact O-C 3.26Å; G680-H683 WeakPolarHBondContact O-CA 3.15Å; G680-H683 PolarHBondContact O-N 2.77Å |
| 681 | D | 80.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 111.6 | 177 | -172.7 | 7.7 | 0 | 0 | 0 | 109 | K624 G652 E653 | K624-D681 WeakPolarHBondContact CE-OD2 3.25Å; K624-D681 IonicContact NZ-OD2 3.7Å; K624-D681 PolarHBondContact NZ-OD2 2.61Å; G652-D681 CarbonylContact C-O 3.5Å; G652-D681 VanDerWaalsContact CA-O 3.27Å; G652-D681 WeakPolarHBondContact CA-O 3.33Å; E653-D681 HydrophobicContact CB-CB 4.12Å; E653-D681 PolarHBondContact N-O 3.29Å; E653-D681 PolarHBondContact O-N 3.09Å; E653-D681 VanDerWaalsContact O-O 3.14Å |
| 682 | P | 82 | Confident | 85.9 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | S | Bend | cis | -63 | 154.9 | -2.7 | -20.5 | 33.2 | 0 | 0 | 0 | 113 | G680 N803 K804 | G680-P682 CarbonylContact C-O 3.59Å; G680-P682 CarbonylContact O-C 3.26Å; P682-N803 VanDerWaalsContact O-CB 3.3Å; P682-N803 WeakPolarHBondContact O-CB 3.48Å; P682-K804 HydrophobicContact CB-CG 4.17Å; P682-K804 HydrophobicContact CG-CD 4.29Å; P682-K804 VanDerWaalsContact CG-CE 3.46Å; P682-K804 HydrophobicContact CG-CG 3.92Å |
| 683 | H | 80.4 | Confident | 84.8 | Confident | 145 Ų | 145 | 44.7 Ų | 44.7 | 67% | 0.671 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -56.7 | 133.2 | -178.1 | -156.1 | 74.5 | 0 | 0 | 0 | 111.6 | A678 G680 | A678-H683 PolarHBondContact O-CE1 3.41Å; G680-H683 WeakPolarHBondContact O-CA 3.15Å; G680-H683 PolarHBondContact O-N 2.77Å |
| 684 | P | 85.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -78 | 137.7 | -174.8 | 29.5 | -34.3 | 0 | 0 | 0 | 113 | P655 A678 A801 G802 | P655-P684 HydrophobicContact CB-CB 3.86Å; P655-P684 HydrophobicContact CB-CG 4.22Å; P655-P684 HydrophobicContact CG-CB 3.92Å; A678-P684 HydrophobicContact CB-CG 3.62Å; P684-A801 HydrophobicContact CB-CB 4.01Å; P684-A801 HydrophobicContact CG-CB 4.3Å; P684-G802 CarbonylContact C-O 3.57Å; P684-G802 WeakPolarHBondContact CA-O 3.34Å |
| 685 | Q | 84.2 | Confident | 81.4 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.6 | 160.3 | -174.1 | 179.7 | 8.6 | 0 | 0 | 108.8 | P703 G802 | Q685-P703 HydrophobicContact CG-CG 4.33Å; Q685-G802 PolarHBondContact N-O 2.89Å; Q685-G802 PolarHBondContact O-N 2.79Å |
| 686 | I | 87.6 | Confident | 79.2 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.7 | 176.5 | -66.2 | 175.2 | 0 | 0 | 0 | 109.5 | C676 A678 P703 A801 | C676-I686 HydrophobicContact CB-CD1 4.47Å; C676-I686 HydrophobicContact CB-CG2 4.23Å; C676-I686 VanDerWaalsContact O-CD1 3.22Å; C676-I686 WeakPolarHBondContact O-CD1 3.24Å; A678-I686 HydrophobicContact CB-CD1 4.02Å; A678-I686 HydrophobicContact CB-CG1 4.27Å; I686-P703 WeakPolarHBondContact O-CD 3.47Å; I686-P703 WeakPolarHBondContact O-CG 3.35Å; I686-A801 HydrophobicContact CG1-CB 4.11Å |
| 687 | S | 86.6 | Confident | 77.1 | Confident | 23 Ų | 23 | 67 Ų | 67 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.2 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | V800 | S687-V800 PolarHBondContact N-O 3.48Å; S687-V800 PolarHBondContact O-N 2.93Å; S687-V800 PolarHBondContact OG-O 3.01Å |
| 688 | W | 87.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | -175.1 | -72.8 | 90.4 | 0 | 0 | 0 | 111.6 | I660 L674 C676 V700 Y701 G782 L784 I798 C799 V813 | I660-W688 HydrophobicContact CD1-CH2 4.14Å; I660-W688 HydrophobicContact CD1-CZ3 4.34Å; I660-W688 HydrophobicContact CG1-CH2 4.19Å; L674-W688 HydrophobicContact CB-CH2 3.69Å; L674-W688 HydrophobicContact CB-CZ2 3.96Å; L674-W688 HydrophobicContact CB-CZ3 4.29Å; L674-W688 HydrophobicContact CD1-CH2 4.45Å; L674-W688 HydrophobicContact CD1-CZ3 4.23Å; L674-W688 WeakPolarHBondContact O-CZ2 3.5Å; C676-W688 HydrophobicContact CB-CH2 4.01Å; C676-W688 HydrophobicContact CB-CZ2 3.48Å; C676-W688 VanDerWaalsContact CB-CZ2 3.48Å; W688-V700 CarbonylContact O-C 3.58Å; W688-V700 WeakPolarHBondContact O-CA 3.29Å; W688-Y701 PolarHBondContact N-O 3.19Å; W688-Y701 PolarHBondContact O-N 2.94Å; W688-G782 PolarHBondContact NE1-O 3.21Å; W688-L784 HydrophobicContact CB-CD1 4.31Å; W688-L784 HydrophobicContact CB-CD2 4.11Å; W688-L784 HydrophobicContact CD2-CB 4.03Å; W688-L784 HydrophobicContact CD2-CD2 4.23Å; W688-L784 HydrophobicContact CG-CB 4.01Å; W688-L784 HydrophobicContact CG-CD1 4.28Å; W688-L784 HydrophobicContact CG-CD2 4.07Å; W688-L784 HydrophobicContact CG-CG 4.36Å; W688-L784 HydrophobicContact CZ2-CB 4.37Å; W688-I798 WeakPolarHBondContact CA-O 3.08Å; W688-C799 HydrophobicContact CD2-CB 4.31Å; W688-C799 HydrophobicContact CE3-CB 4.05Å; W688-C799 HydrophobicContact CH2-CB 3.87Å; W688-C799 HydrophobicContact CZ2-CB 4.13Å; W688-C799 HydrophobicContact CZ3-CB 3.8Å; W688-V813 HydrophobicContact CH2-CG1 4.08Å; W688-V813 HydrophobicContact CZ3-CG1 3.81Å |
| 689 | I | 85.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.4 | 173.4 | -55 | -177.1 | 0 | 0 | 0 | 108.7 | P698 S699 V700 I798 V800 | I689-P698 HydrophobicContact CG2-CB 3.55Å; I689-P698 HydrophobicContact CG2-CG 4.47Å; I689-S699 CarbonylContact C-O 3.55Å; I689-S699 WeakPolarHBondContact CA-O 3.48Å; I689-V700 HydrophobicContact CG1-CG2 4.32Å; I689-I798 HydrophobicContact CB-CB 4.35Å; I689-I798 PolarHBondContact N-O 3.2Å; I689-I798 PolarHBondContact O-N 2.83Å; I689-V800 HydrophobicContact CD1-CG2 3.79Å; I689-V800 HydrophobicContact CG1-CG2 3.95Å |
| 690 | V | 83.6 | Confident | 74.9 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115 | -177.9 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | K692 S699 Y701 A795 Y797 | V690-K692 HydrophobicContact CG1-CG 4.04Å; V690-S699 PolarHBondContact N-O 3.42Å; V690-S699 PolarHBondContact O-N 3.29Å; V690-Y701 HydrophobicContact CB-CE2 4.32Å; V690-Y701 HydrophobicContact CG2-CD2 3.72Å; V690-Y701 HydrophobicContact CG2-CE2 3.54Å; V690-A795 HydrophobicContact CG1-CB 3.63Å; V690-Y797 HydrophobicContact CB-CD1 4.38Å; V690-Y797 HydrophobicContact CB-CE1 4.23Å; V690-Y797 HydrophobicContact CG1-CD1 4.14Å; V690-Y797 HydrophobicContact CG1-CE1 3.73Å; V690-Y797 HydrophobicContact CG1-CE2 4.18Å; V690-Y797 HydrophobicContact CG2-CD1 3.47Å; V690-Y797 VanDerWaalsContact CG2-CD1 3.47Å; V690-Y797 HydrophobicContact CG2-CE1 3.4Å; V690-Y797 VanDerWaalsContact CG2-CE1 3.4Å; V690-Y797 HydrophobicContact CG2-CG 4.37Å |
| 691 | K | 77.5 | Confident | 74.7 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 98 | -179 | 177.1 | 176.8 | 154.9 | -145.2 | 0 | 109 | E796 | K691-E796 HydrophobicContact CB-CB 4.35Å; K691-E796 WeakPolarHBondContact CD-OE2 3.35Å; K691-E796 WeakPolarHBondContact CE-OE2 3.48Å; K691-E796 PolarHBondContact N-O 2.96Å; K691-E796 IonicContact NZ-OE2 3.88Å; K691-E796 PolarHBondContact NZ-OE2 2.66Å; K691-E796 PolarHBondContact O-N 3.16Å; K691-E796 VanDerWaalsContact O-N 3.15Å |
| 692 | K | 77.2 | Confident | 74.4 | Confident | 38 Ų | 38 | 70 Ų | 70 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | trans | -86.7 | 136.1 | 180 | -56.6 | -163.2 | 167.3 | -163.1 | 0 | 110 | V690 G694 Y695 S792 D793 A795 | V690-K692 HydrophobicContact CG1-CG 4.04Å; K692-G694 PolarHBondContact O-N 2.99Å; K692-Y695 HydrophobicContact CB-CD2 3.72Å; K692-Y695 HydrophobicContact CB-CE2 4.47Å; K692-Y695 HydrophobicContact CB-CG 4.26Å; K692-Y695 PolarHBondContact O-N 2.98Å; K692-S792 WeakPolarHBondContact CD-O 3.38Å; K692-S792 VanDerWaalsContact CE-O 3.3Å; K692-S792 WeakPolarHBondContact CE-O 3.42Å; K692-S792 PolarHBondContact NZ-O 3Å; K692-D793 IonicContact NZ-OD1 2.8Å; K692-D793 PolarHBondContact NZ-OD1 3.3Å; K692-A795 HydrophobicContact CG-CB 3.97Å | ||
| 693 | P | 68 | Low | 74 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.6 | 173.3 | -25.2 | 34.5 | 0 | 0 | 0 | 111.4 | Y695 Q794 | P693-Y695 VanDerWaalsContact C-N 3.35Å; P693-Y695 PolarHBondContact O-N 3.14Å; P693-Q794 WeakPolarHBondContact CD-O 3.38Å |
| 694 | G | 57.5 | Low | 72.7 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 91% | 0.907 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | K692 | K692-G694 PolarHBondContact O-N 2.99Š|
| 695 | Y | 51.7 | Low | 70.8 | Confident | 170 Ų | 170 | 74.4 Ų | 74.4 | 67% | 0.667 | 40% | 0.403 | S | S | * | . | trans | -97.3 | 126.3 | -180 | -77.1 | -94.7 | 0 | 0 | 0 | 112.6 | K692 P693 I697 | K692-Y695 HydrophobicContact CB-CD2 3.72Å; K692-Y695 HydrophobicContact CB-CE2 4.47Å; K692-Y695 HydrophobicContact CB-CG 4.26Å; K692-Y695 PolarHBondContact O-N 2.98Å; P693-Y695 VanDerWaalsContact C-N 3.35Å; P693-Y695 PolarHBondContact O-N 3.14Å; Y695-I697 VanDerWaalsContact C-N 3.33Å; Y695-I697 PolarHBondContact O-N 2.96Å | ||
| 696 | K | 45.6 | Very low | 68.4 | Low | 212 Ų | 212 | 75.7 Ų | 75.7 | 92% | 0.922 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -70.8 | -19.3 | -178.8 | -68.6 | -168.6 | 176.5 | -171.8 | 0 | 115.1 | ||
| 697 | I | 48.2 | Very low | 65.6 | Low | 128 Ų | 128 | 80.8 Ų | 80.8 | 66% | 0.656 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -124 | 117.8 | -175.4 | -57.8 | 176 | 0 | 0 | 0 | 109 | Y695 | Y695-I697 VanDerWaalsContact C-N 3.33Å; Y695-I697 PolarHBondContact O-N 2.96Å |
| 698 | P | 66.4 | Low | 62.8 | Low | 67 Ų | 67 | 88.1 Ų | 88.1 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -67.3 | 140.5 | 173.7 | -19 | 32.2 | 0 | 0 | 0 | 112.1 | I689 | I689-P698 HydrophobicContact CG2-CB 3.55Å; I689-P698 HydrophobicContact CG2-CG 4.47Å | ||
| 699 | S | 75.1 | Confident | 59.9 | Low | 19 Ų | 19 | 95 Ų | 95 | 13% | 0.133 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 134.2 | 171.9 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | I689 V690 | I689-S699 CarbonylContact C-O 3.55Å; I689-S699 WeakPolarHBondContact CA-O 3.48Å; V690-S699 PolarHBondContact N-O 3.42Å; V690-S699 PolarHBondContact O-N 3.29Å |
| 700 | V | 78.6 | Confident | 57 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.7 | 179.9 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | W688 I689 | W688-V700 CarbonylContact O-C 3.58Å; W688-V700 WeakPolarHBondContact O-CA 3.29Å; I689-V700 HydrophobicContact CG1-CG2 4.32Å |
| 701 | Y | 79.7 | Confident | 54.1 | Low | 45 Ų | 45 | 106.4 Ų | 106.4 | 18% | 0.176 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 102.5 | 176.6 | -59.1 | -90.5 | 0 | 0 | 0 | 109.4 | W688 V690 I776 L784 | W688-Y701 PolarHBondContact N-O 3.19Å; W688-Y701 PolarHBondContact O-N 2.94Å; V690-Y701 HydrophobicContact CB-CE2 4.32Å; V690-Y701 HydrophobicContact CG2-CD2 3.72Å; V690-Y701 HydrophobicContact CG2-CE2 3.54Å; Y701-I776 HydrophobicContact CD1-CB 4.4Å; Y701-I776 HydrophobicContact CD1-CG2 3.76Å; Y701-I776 HydrophobicContact CD2-CG2 4.49Å; Y701-I776 HydrophobicContact CE1-CB 3.82Å; Y701-I776 HydrophobicContact CE1-CG2 3.55Å; Y701-I776 HydrophobicContact CE2-CG2 4.32Å; Y701-I776 HydrophobicContact CG-CG2 4.23Å; Y701-L784 HydrophobicContact CG-CD1 4.2Å |
| 702 | T | 74.6 | Confident | 51.7 | Low | 65 Ų | 65 | 107.4 Ų | 107.4 | 40% | 0.399 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -86.7 | 147.6 | 164.9 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 703 | P | 72.5 | Confident | 49 | Very low | 9 Ų | 9 | 114.5 Ų | 114.5 | 6% | 0.058 | 63% | 0.627 | C | S | . | * | P | Polyproline II helix | trans | -60.6 | 142.9 | 169.3 | 27.6 | -35.3 | 0 | 0 | 0 | 109.9 | Q685 I686 V705 A778 F779 | Q685-P703 HydrophobicContact CG-CG 4.33Å; I686-P703 WeakPolarHBondContact O-CD 3.47Å; I686-P703 WeakPolarHBondContact O-CG 3.35Å; P703-V705 PolarHBondContact O-N 3.06Å; P703-A778 WeakPolarHBondContact CA-O 3.5Å; P703-F779 VanDerWaalsContact CB-C 3.48Å |
| 704 | L | 53.1 | Low | 46.9 | Very low | 150 Ų | 150 | 115.5 Ų | 115.5 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.7 | 163.5 | -66.5 | 171.4 | 0 | 0 | 0 | 106.8 | D706 | L704-D706 PolarHBondContact O-N 3.43Š|
| 705 | V | 45.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117.1 | 164.8 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | P703 S707 | P703-V705 PolarHBondContact O-N 3.06Å; V705-S707 PolarHBondContact O-N 3.49Å |
| 706 | D | 34.8 | Very low | 44 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.1 | 169.5 | -73.8 | -56.2 | 0 | 0 | 0 | 108 | L704 E708 | L704-D706 PolarHBondContact O-N 3.43Å; D706-E708 PolarHBondContact O-N 3.49Å |
| 707 | S | 27.6 | Very low | 43 | Very low | 119 Ų | 119 | 115 Ų | 115 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -69.8 | 84 | 175.2 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | V705 L709 | V705-S707 PolarHBondContact O-N 3.49Å; S707-L709 PolarHBondContact O-N 3.46Å | ||
| 708 | E | 28.1 | Very low | 42 | Very low | 176 Ų | 176 | 114.3 Ų | 114.3 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | trans | -59.5 | 92.3 | 162.3 | -76.7 | -161.4 | 131.5 | 0 | 0 | 108.8 | D706 L710 | D706-E708 PolarHBondContact O-N 3.49Å; E708-L710 PolarHBondContact O-N 2.81Å | ||
| 709 | L | 25.9 | Very low | 39.9 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | 26.3 | 71.2 | 129.4 | -71.1 | 164 | 0 | 0 | 0 | 113.8 | S707 I711 | S707-L709 PolarHBondContact O-N 3.46Å; L709-I711 HydrophobicContact CB-CG1 4.42Å; L709-I711 PolarHBondContact O-N 3.24Å | |||
| 710 | L | 26.3 | Very low | 37.6 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -68.2 | 65.6 | 159.8 | -84 | 166.4 | 0 | 0 | 0 | 109.5 | E708 P712 | E708-L710 PolarHBondContact O-N 2.81Å; L710-P712 VanDerWaalsContact O-CD 3.26Å; L710-P712 WeakPolarHBondContact O-CD 3.46Å | ||
| 711 | I | 22.4 | Very low | 34.9 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 64% | 0.641 | 71% | 0.706 | S | S | * | * | trans | -61.2 | 114 | 153.2 | -60.9 | 172.3 | 0 | 0 | 0 | 104.4 | L709 Q713 | L709-I711 HydrophobicContact CB-CG1 4.42Å; L709-I711 PolarHBondContact O-N 3.24Å; I711-Q713 PolarHBondContact O-N 2.96Å | ||
| 712 | P | 25.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -63.3 | 110 | -174.6 | -22.9 | 34.9 | 0 | 0 | 0 | 109.8 | L710 S714 | L710-P712 VanDerWaalsContact O-CD 3.26Å; L710-P712 WeakPolarHBondContact O-CD 3.46Å; P712-S714 PolarHBondContact O-N 3.38Å | ||
| 713 | Q | 22.2 | Very low | 29.8 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 120.8 | 174 | -76.6 | -168.7 | -11.2 | 0 | 0 | 108.9 | I711 T715 | I711-Q713 PolarHBondContact O-N 2.96Å; Q713-T715 PolarHBondContact O-N 3.46Å | ||
| 714 | S | 23.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -56.9 | 124.8 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | P712 | P712-S714 PolarHBondContact O-N 3.38Š| ||
| 715 | T | 24.5 | Very low | 26 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -133.5 | 108.7 | 154.8 | 39.8 | 0 | 0 | 0 | 0 | 109.8 | Q713 | Q713-T715 PolarHBondContact O-N 3.46Š| ||
| 716 | D | 24.9 | Very low | 25 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 54.6 | 101.7 | 144.5 | -52.2 | -26 | 0 | 0 | 0 | 120.2 | S718 | D716-S718 PolarHBondContact O-N 3.03Š| ||
| 717 | L | 23.8 | Very low | 24.5 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 97% | 0.969 | 79% | 0.785 | S | S | * | * | trans | -65.4 | 118.3 | 157.8 | -74.2 | 161.1 | 0 | 0 | 0 | 111.2 | ||||
| 718 | S | 26.4 | Very low | 24.4 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -161.6 | 143.8 | 150.8 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | D716 | D716-S718 PolarHBondContact O-N 3.03Š| ||
| 719 | D | 22.7 | Very low | 24 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | cis | -158.1 | 118.9 | -25.5 | 176.5 | 18.3 | 0 | 0 | 0 | 108.1 | ||||
| 720 | S | 25.9 | Very low | 23.8 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -167.1 | 85.7 | 165.8 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 721 | S | 23.1 | Very low | 23.6 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -5.6 | 127.7 | 153.9 | 66.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 722 | R | 23.3 | Very low | 23.5 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | 171.6 | 152.2 | 102.6 | -93.4 | 175.9 | -178.6 | -178.3 | 0.2 | 115.3 | |||||
| 723 | S | 23.9 | Very low | 23.4 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 56.7 | 107.6 | 154.6 | 58 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 724 | A | 23.1 | Very low | 23.4 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | 84.4 | 106.8 | 115.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 725 | D | 22.9 | Very low | 23.3 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | 91.2 | 129.4 | 120.6 | -62.6 | -0 | 0 | 0 | 0 | 122.3 | |||||
| 726 | N | 25.1 | Very low | 23.7 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 65.6 | 108.3 | 161.3 | -56.7 | -42.8 | 0 | 0 | 0 | 117.2 | ||||
| 727 | H | 22.6 | Very low | 23.8 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | 53 | 105.3 | 74.3 | -70.6 | -74.5 | 0 | 0 | 0 | 113.5 | |||||
| 728 | L | 25.5 | Very low | 23.8 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | -154.8 | 170.8 | 103.3 | -105.3 | 165.8 | 0 | 0 | 0 | 110.6 | |||||
| 729 | Q | 20 | Very low | 23.6 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -113 | -171.1 | -172.1 | -70.7 | 165.1 | -94 | 0 | 0 | 110.7 | ||||
| 730 | E | 22.4 | Very low | 23.6 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 80 | 156.7 | 163.9 | -58.1 | -170.2 | 138.3 | 0 | 0 | 117.8 | ||||
| 731 | Q | 21.5 | Very low | 23.3 | Very low | 143 Ų | 143 | 140 Ų | 140 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | cis | -176.6 | 158.8 | -49.6 | -117.5 | -172.7 | 59.3 | 0 | 0 | 109.1 | ||||
| 732 | Q | 21.8 | Very low | 23.3 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 168.8 | 154.6 | -65.9 | 168.4 | 32.3 | 0 | 0 | 121 | ||||
| 733 | F | 23.6 | Very low | 23.2 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | 75.4 | 74 | 164.7 | -69.9 | -71.1 | 0 | 0 | 0 | 122.7 | ||||
| 734 | L | 21.6 | Very low | 23.1 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | 44.8 | 119.8 | 109.2 | -69.2 | 163.6 | 0 | 0 | 0 | 122 | |||||
| 735 | Q | 21.2 | Very low | 23 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 76.3 | 141.3 | 139.5 | -67 | -174.1 | -6.5 | 0 | 0 | 121.3 | ||||
| 736 | P | 32.7 | Very low | 22.9 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -108.4 | 154.5 | -174 | 40.6 | -34.3 | 0 | 0 | 0 | 115.6 | ||||
| 737 | P | 26 | Very low | 22.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -91.3 | 167.2 | 160.3 | 36.5 | -32.3 | 0 | 0 | 0 | 112.6 | ||||
| 738 | P | 25.4 | Very low | 22.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -102.3 | 173.6 | -159.8 | 39.5 | -37.5 | 0 | 0 | 0 | 116.6 | ||||
| 739 | S | 20.8 | Very low | 22.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -39.9 | 134.8 | 172.4 | 55 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 740 | S | 22.7 | Very low | 22.8 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -144.5 | 149.9 | 136.9 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 741 | S | 21.2 | Very low | 22.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -93.7 | 130.6 | -173 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 742 | S | 22.1 | Very low | 23 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -144.9 | 142.4 | 155.7 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 743 | S | 21.3 | Very low | 23.1 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -99.1 | 110.7 | -177.5 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 744 | S | 21.6 | Very low | 23.2 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -140.5 | 115.1 | 168.7 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | V746 | S744-V746 PolarHBondContact O-N 3.2Š| ||
| 745 | S | 20.5 | Very low | 23.4 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -48.3 | 121.4 | 168.1 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 746 | V | 21.9 | Very low | 23.7 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -135.9 | 143 | 154.9 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | S744 | S744-V746 PolarHBondContact O-N 3.2Š| ||
| 747 | S | 21 | Very low | 23.6 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 149.4 | 178.5 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 748 | I | 23.6 | Very low | 23.7 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -129.5 | 138.7 | 160.1 | -64.6 | -179.7 | 0 | 0 | 0 | 107.5 | ||||
| 749 | D | 21.9 | Very low | 23.9 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 159.1 | -157.9 | -63.5 | -80.2 | 0 | 0 | 0 | 117.1 | N751 | D749-N751 PolarHBondContact O-N 3.26Å; D749-N751 VanDerWaalsContact O-N 3.13Å | ||
| 750 | H | 23.4 | Very low | 24.5 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -67.3 | 99.7 | 166.8 | -72.8 | -91 | 0 | 0 | 0 | 111.3 | ||||
| 751 | N | 23.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | -160.8 | 89.3 | 156.7 | -103.9 | -39.4 | 0 | 0 | 0 | 113.3 | D749 | D749-N751 PolarHBondContact O-N 3.26Å; D749-N751 VanDerWaalsContact O-N 3.13Å | ||
| 752 | L | 25.1 | Very low | 25.5 | Very low | 163 Ų | 163 | 118.4 Ų | 118.4 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -138 | 45.5 | 167.5 | -87 | 177.5 | 0 | 0 | 0 | 112.3 | S754 | L752-S754 VanDerWaalsContact C-N 3.26Å; L752-S754 PolarHBondContact O-N 3.4Å | ||
| 753 | N | 23 | Very low | 26 | Very low | 158 Ų | 158 | 115 Ų | 115 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -80.9 | 54.7 | 175 | -80.7 | -9.8 | 0 | 0 | 0 | 113.2 | ||||
| 754 | S | 25.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | trans | -173.2 | 71.4 | 167.5 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | L752 | L752-S754 VanDerWaalsContact C-N 3.26Å; L752-S754 PolarHBondContact O-N 3.4Å | ||
| 755 | A | 26.5 | Very low | 27 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | trans | -150.5 | 69.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S757 | A755-S757 PolarHBondContact O-N 3.43Š| ||
| 756 | S | 26.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 109.3 Ų | 109.3 | 90% | 0.895 | 67% | 0.667 | S | S | * | * | trans | -80.1 | 88.7 | 174 | 57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 757 | S | 30.2 | Very low | 28 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -165.4 | 160.7 | 163 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | A755 D759 | A755-S757 PolarHBondContact O-N 3.43Å; S757-D759 WeakPolarHBondContact CB-OD2 3.2Å; S757-D759 PolarHBondContact O-N 3.25Å; S757-D759 PolarHBondContact OG-OD2 3.09Å |
| 758 | A | 29.4 | Very low | 28.4 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 60% | 0.603 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -14 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A760 V761 V762 | A758-A760 PolarHBondContact O-N 3.05Å; A758-V761 PolarHBondContact O-N 3.16Å; A758-V762 PolarHBondContact O-N 3.26Å |
| 759 | D | 29.5 | Very low | 28.6 | Very low | 110 Ų | 110 | 111.4 Ų | 111.4 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.6 | -32.6 | -177 | -55 | -59.6 | 0 | 0 | 0 | 113.1 | S757 V761 V762 A763 | S757-D759 WeakPolarHBondContact CB-OD2 3.2Å; S757-D759 PolarHBondContact O-N 3.25Å; S757-D759 PolarHBondContact OG-OD2 3.09Å; D759-V761 VanDerWaalsContact C-N 3.31Å; D759-V761 PolarHBondContact O-N 2.95Å; D759-V762 PolarHBondContact O-N 3.11Å; D759-A763 VanDerWaalsContact O-CB 3.32Å; D759-A763 WeakPolarHBondContact O-CB 3.29Å; D759-A763 PolarHBondContact O-N 3.34Å |
| 760 | A | 32.3 | Very low | 29 | Very low | 62 Ų | 62 | 113.1 Ų | 113.1 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.5 | -35.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A758 A764 | A758-A760 PolarHBondContact O-N 3.05Å; A760-A764 WeakPolarHBondContact O-CB 3.5Å; A760-A764 PolarHBondContact O-N 3.24Å |
| 761 | V | 32.5 | Very low | 29.7 | Very low | 95 Ų | 95 | 110 Ų | 110 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.4 | -40.3 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | A758 D759 A764 I765 | A758-V761 PolarHBondContact O-N 3.16Å; D759-V761 VanDerWaalsContact C-N 3.31Å; D759-V761 PolarHBondContact O-N 2.95Å; V761-A764 PolarHBondContact O-N 3.05Å; V761-I765 HydrophobicContact CG1-CD1 4.17Å; V761-I765 WeakPolarHBondContact O-CG1 3.37Å; V761-I765 PolarHBondContact O-N 3.22Å |
| 762 | V | 32.2 | Very low | 30.2 | Very low | 86 Ų | 86 | 108 Ų | 108 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.6 | -47.3 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | A758 D759 A764 I765 S766 | A758-V762 PolarHBondContact O-N 3.26Å; D759-V762 PolarHBondContact O-N 3.11Å; V762-A764 VanDerWaalsContact C-N 3.31Å; V762-A764 PolarHBondContact O-N 2.98Å; V762-I765 PolarHBondContact O-N 3.22Å; V762-S766 PolarHBondContact O-N 2.9Å; V762-S766 PolarHBondContact O-OG 2.96Å |
| 763 | A | 32.8 | Very low | 31.1 | Very low | 43 Ų | 43 | 104.1 Ų | 104.1 | 36% | 0.355 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.1 | -33.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D759 R767 | D759-A763 VanDerWaalsContact O-CB 3.32Å; D759-A763 WeakPolarHBondContact O-CB 3.29Å; D759-A763 PolarHBondContact O-N 3.34Å; A763-R767 WeakPolarHBondContact O-CG 3.35Å |
| 764 | A | 33 | Very low | 32.9 | Very low | 53 Ų | 53 | 98.6 Ų | 98.6 | 44% | 0.438 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.1 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A760 V761 V762 S766 R767 | A760-A764 WeakPolarHBondContact O-CB 3.5Å; A760-A764 PolarHBondContact O-N 3.24Å; V761-A764 PolarHBondContact O-N 3.05Å; V762-A764 VanDerWaalsContact C-N 3.31Å; V762-A764 PolarHBondContact O-N 2.98Å; A764-S766 VanDerWaalsContact C-N 3.33Å; A764-S766 PolarHBondContact O-N 2.98Å; A764-R767 PolarHBondContact O-N 3.21Å |
| 765 | I | 32 | Very low | 35.5 | Very low | 105 Ų | 105 | 95.1 Ų | 95.1 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.1 | -42.3 | 177 | -68.5 | 167.2 | 0 | 0 | 0 | 110.7 | V761 V762 R767 N768 | V761-I765 HydrophobicContact CG1-CD1 4.17Å; V761-I765 WeakPolarHBondContact O-CG1 3.37Å; V761-I765 PolarHBondContact O-N 3.22Å; V762-I765 PolarHBondContact O-N 3.22Å; I765-R767 PolarHBondContact O-N 2.69Å; I765-R767 VanDerWaalsContact O-N 3.16Å; I765-N768 PolarHBondContact O-N 3.37Å |
| 766 | S | 34 | Very low | 38.2 | Very low | 71 Ų | 71 | 92.2 Ų | 92.2 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -22.1 | 178.5 | -64.1 | 0 | 0 | 0 | 0 | 114.9 | V762 A764 | V762-S766 PolarHBondContact O-N 2.9Å; V762-S766 PolarHBondContact O-OG 2.96Å; A764-S766 VanDerWaalsContact C-N 3.33Å; A764-S766 PolarHBondContact O-N 2.98Å |
| 767 | R | 29.3 | Very low | 40.8 | Very low | 196 Ų | 196 | 87.7 Ų | 87.7 | 74% | 0.74 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78.5 | -26.5 | -179.7 | -70 | 174.8 | -171.3 | 173.7 | 3.5 | 113.5 | A763 A764 I765 M769 | A763-R767 WeakPolarHBondContact O-CG 3.35Å; A764-R767 PolarHBondContact O-N 3.21Å; I765-R767 PolarHBondContact O-N 2.69Å; I765-R767 VanDerWaalsContact O-N 3.16Å; R767-M769 PolarHBondContact O-N 2.76Å |
| 768 | N | 29.4 | Very low | 43.4 | Very low | 144 Ų | 144 | 84.8 Ų | 84.8 | 77% | 0.77 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 8.9 | -167.7 | -99.5 | -6.5 | 0 | 0 | 0 | 116 | I765 | I765-N768 PolarHBondContact O-N 3.37Š|
| 769 | M | 27.5 | Very low | 45.9 | Very low | 104 Ų | 104 | 85.9 Ų | 85.9 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 27.3 | -179.9 | -72.9 | -160.1 | 172.3 | 0 | 0 | 116.1 | R767 T771 | R767-M769 PolarHBondContact O-N 2.76Å; M769-T771 PolarHBondContact O-N 2.82Å; M769-T771 VanDerWaalsContact O-N 3.11Å |
| 770 | Q | 29.9 | Very low | 48.2 | Very low | 180 Ų | 180 | 85.1 Ų | 85.1 | 84% | 0.841 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -69.1 | 1.7 | 169 | -77.2 | -167.9 | -21.3 | 0 | 0 | 114.6 | N772 | Q770-N772 VanDerWaalsContact C-N 3.31Å; Q770-N772 PolarHBondContact O-N 2.68Å |
| 771 | T | 37.6 | Very low | 50.5 | Low | 124 Ų | 124 | 86.3 Ų | 86.3 | 76% | 0.761 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -77.1 | -1.6 | -175.4 | 50.3 | 0 | 0 | 0 | 0 | 115.7 | M769 | M769-T771 PolarHBondContact O-N 2.82Å; M769-T771 VanDerWaalsContact O-N 3.11Å |
| 772 | N | 35.3 | Very low | 53 | Low | 102 Ų | 102 | 81.8 Ų | 81.8 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -119.3 | 32.2 | -170.8 | -108.2 | -49.2 | 0 | 0 | 0 | 115.7 | Q770 G774 R775 | Q770-N772 VanDerWaalsContact C-N 3.31Å; Q770-N772 PolarHBondContact O-N 2.68Å; N772-G774 VanDerWaalsContact C-N 3.33Å; N772-G774 PolarHBondContact O-N 2.82Å; N772-R775 PolarHBondContact O-N 3.39Å |
| 773 | G | 44.4 | Very low | 55.6 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 83% | 0.825 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 24.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | R775 | G773-R775 PolarHBondContact O-N 2.94Š|
| 774 | G | 61 | Low | 58.3 | Low | 43 Ų | 43 | 76.1 Ų | 76.1 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 19.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N772 K787 | N772-G774 VanDerWaalsContact C-N 3.33Å; N772-G774 PolarHBondContact O-N 2.82Å; G774-K787 PolarHBondContact O-NZ 2.94Å |
| 775 | R | 79.2 | Confident | 60.9 | Low | 40 Ų | 40 | 75 Ų | 75 | 15% | 0.151 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -72.8 | -33.6 | 179.3 | -172.2 | 179.2 | 67.2 | 81.3 | -5.9 | 113 | N772 G773 K787 Q788 D793 | N772-R775 PolarHBondContact O-N 3.39Å; G773-R775 PolarHBondContact O-N 2.94Å; R775-K787 PolarHBondContact O-N 2.68Å; R775-Q788 PolarHBondContact NH1-O 2.89Å; R775-D793 IonicContact CZ-OD1 3.58Å; R775-D793 IonicContact CZ-OD2 2.71Å; R775-D793 VanDerWaalsContact CZ-OD2 3.29Å; R775-D793 IonicContact NH1-OD1 3.55Å; R775-D793 IonicContact NH1-OD2 3.55Å; R775-D793 PolarHBondContact NH1-OD2 3.28Å; R775-D793 IonicContact NH2-OD1 2.76Å; R775-D793 PolarHBondContact NH2-OD1 3.07Å; R775-D793 IonicContact NH2-OD2 3.7Å; R775-D793 PolarHBondContact NH2-OD2 2.81Å; R775-D793 VanDerWaalsContact NH2-OD2 3.09Å |
| 776 | I | 83.7 | Confident | 63.6 | Low | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.1 | 175.6 | -59.7 | 177.5 | 0 | 0 | 0 | 107.6 | Y701 L784 I785 I786 | Y701-I776 HydrophobicContact CD1-CB 4.4Å; Y701-I776 HydrophobicContact CD1-CG2 3.76Å; Y701-I776 HydrophobicContact CD2-CG2 4.49Å; Y701-I776 HydrophobicContact CE1-CB 3.82Å; Y701-I776 HydrophobicContact CE1-CG2 3.55Å; Y701-I776 HydrophobicContact CE2-CG2 4.32Å; Y701-I776 HydrophobicContact CG-CG2 4.23Å; I776-L784 HydrophobicContact CG2-CD1 3.8Å; I776-L784 HydrophobicContact CG2-CD2 4.44Å; I776-L784 HydrophobicContact CG2-CG 4.19Å; I776-I785 WeakPolarHBondContact CA-O 3.39Å; I776-I786 HydrophobicContact CD1-CD1 4.34Å; I776-I786 HydrophobicContact CD1-CG1 4.39Å; I776-I786 HydrophobicContact CD1-CG2 4.45Å; I776-I786 HydrophobicContact CG1-CB 4.29Å; I776-I786 HydrophobicContact CG1-CD1 4.48Å; I776-I786 HydrophobicContact CG1-CG1 4Å; I776-I786 HydrophobicContact CG1-CG2 3.91Å; I776-I786 HydrophobicContact CG2-CG1 4.3Å |
| 777 | T | 82.5 | Confident | 65.9 | Low | 34 Ų | 34 | 71.7 Ų | 71.7 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 122 | -175.8 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | F779 I785 | T777-F779 WeakPolarHBondContact OG1-CE2 3.14Å; T777-I785 PolarHBondContact N-O 2.74Å; T777-I785 PolarHBondContact O-N 3.45Å; T777-I785 PolarHBondContact OG1-O 2.92Å |
| 778 | A | 83.5 | Confident | 68.3 | Low | 14 Ų | 14 | 68 Ų | 68 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P703 S783 L784 | P703-A778 WeakPolarHBondContact CA-O 3.5Å; A778-S783 CarbonylContact C-O 3.56Å; A778-S783 WeakPolarHBondContact CA-O 3.36Å; A778-L784 HydrophobicContact CB-CD1 3.77Å |
| 779 | F | 82.3 | Confident | 71.2 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -116.5 | 151.3 | -178.2 | -69.2 | -93.1 | 0 | 0 | 0 | 110.9 | P703 T777 N781 G782 S783 I785 | P703-F779 VanDerWaalsContact CB-C 3.48Å; T777-F779 WeakPolarHBondContact OG1-CE2 3.14Å; F779-N781 WeakPolarHBondContact CB-OD1 3.49Å; F779-N781 PolarHBondContact O-N 2.81Å; F779-G782 PolarHBondContact O-N 2.85Å; F779-S783 PolarHBondContact N-O 2.76Å; F779-I785 HydrophobicContact CD2-CD1 4.23Å; F779-I785 HydrophobicContact CD2-CG1 4.15Å; F779-I785 HydrophobicContact CE2-CB 4.09Å; F779-I785 HydrophobicContact CE2-CD1 3.61Å; F779-I785 HydrophobicContact CE2-CG1 3.75Å; F779-I785 HydrophobicContact CZ-CD1 4.26Å | ||
| 780 | S | 77.2 | Confident | 73.9 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.2 | -177.1 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | G782 | S780-G782 PolarHBondContact O-N 2.82Š|
| 781 | N | 80.7 | Confident | 76.4 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.8 | 171.8 | 75.8 | -23.5 | 0 | 0 | 0 | 114.4 | F779 S783 | F779-N781 WeakPolarHBondContact CB-OD1 3.49Å; F779-N781 PolarHBondContact O-N 2.81Å; N781-S783 PolarHBondContact ND2-OG 3.01Å; N781-S783 WeakPolarHBondContact OD1-CB 3.5Å; N781-S783 PolarHBondContact OD1-N 2.93Å; N781-S783 PolarHBondContact OD1-OG 3.4Å |
| 782 | G | 84.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 92.6 | -3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | C676 W688 F779 S780 | C676-G782 PolarHBondContact N-O 3.48Å; C676-G782 WeakPolarHBondContact O-CA 3.43Å; W688-G782 PolarHBondContact NE1-O 3.21Å; F779-G782 PolarHBondContact O-N 2.85Å; S780-G782 PolarHBondContact O-N 2.82Å |
| 783 | S | 86.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | trans | -70.5 | 133.1 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 112 | L674 N675 A778 F779 N781 | L674-S783 CarbonylContact O-C 3.49Å; L674-S783 WeakPolarHBondContact O-CA 3.14Å; N675-S783 WeakPolarHBondContact OD1-CB 3.33Å; N675-S783 PolarHBondContact OD1-OG 3.13Å; A778-S783 CarbonylContact C-O 3.56Å; A778-S783 WeakPolarHBondContact CA-O 3.36Å; F779-S783 PolarHBondContact N-O 2.76Å; N781-S783 PolarHBondContact ND2-OG 3.01Å; N781-S783 WeakPolarHBondContact OD1-CB 3.5Å; N781-S783 PolarHBondContact OD1-N 2.93Å; N781-S783 PolarHBondContact OD1-OG 3.4Å | ||
| 784 | L | 90.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.4 | 161.9 | -170.7 | 75.1 | 0 | 0 | 0 | 109 | L674 W688 Y701 I776 A778 Y797 | L674-L784 HydrophobicContact CB-CB 4.34Å; L674-L784 HydrophobicContact CD1-CD2 4.33Å; L674-L784 PolarHBondContact N-O 2.86Å; L674-L784 PolarHBondContact O-N 2.75Å; W688-L784 HydrophobicContact CB-CD1 4.31Å; W688-L784 HydrophobicContact CB-CD2 4.11Å; W688-L784 HydrophobicContact CD2-CB 4.03Å; W688-L784 HydrophobicContact CD2-CD2 4.23Å; W688-L784 HydrophobicContact CG-CB 4.01Å; W688-L784 HydrophobicContact CG-CD1 4.28Å; W688-L784 HydrophobicContact CG-CD2 4.07Å; W688-L784 HydrophobicContact CG-CG 4.36Å; W688-L784 HydrophobicContact CZ2-CB 4.37Å; Y701-L784 HydrophobicContact CG-CD1 4.2Å; I776-L784 HydrophobicContact CG2-CD1 3.8Å; I776-L784 HydrophobicContact CG2-CD2 4.44Å; I776-L784 HydrophobicContact CG2-CG 4.19Å; A778-L784 HydrophobicContact CB-CD1 3.77Å; L784-Y797 HydrophobicContact CD2-CD1 3.47Å; L784-Y797 VanDerWaalsContact CD2-CD1 3.47Å; L784-Y797 HydrophobicContact CD2-CE1 3.71Å |
| 785 | I | 86.9 | Confident | 84.4 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.9 | 176.8 | -56.2 | -172.2 | 0 | 0 | 0 | 109.5 | Q671 I673 I776 T777 F779 K787 | Q671-I785 HydrophobicContact CG-CG2 3.87Å; I673-I785 HydrophobicContact CD1-CD1 4.44Å; I673-I785 HydrophobicContact CG1-CD1 4.36Å; I673-I785 HydrophobicContact CG1-CG1 4.15Å; I673-I785 HydrophobicContact CG1-CG2 4.4Å; I673-I785 HydrophobicContact CG2-CG1 4.24Å; I776-I785 WeakPolarHBondContact CA-O 3.39Å; T777-I785 PolarHBondContact N-O 2.74Å; T777-I785 PolarHBondContact O-N 3.45Å; T777-I785 PolarHBondContact OG1-O 2.92Å; F779-I785 HydrophobicContact CD2-CD1 4.23Å; F779-I785 HydrophobicContact CD2-CG1 4.15Å; F779-I785 HydrophobicContact CE2-CB 4.09Å; F779-I785 HydrophobicContact CE2-CD1 3.61Å; F779-I785 HydrophobicContact CE2-CG1 3.75Å; F779-I785 HydrophobicContact CZ-CD1 4.26Å; I785-K787 HydrophobicContact CG2-CG 4.33Å |
| 786 | I | 89.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.2 | 168.8 | -49.1 | -176.1 | 0 | 0 | 0 | 106.7 | Q671 V672 I776 Q788 V789 Y797 | Q671-I786 VanDerWaalsContact CA-O 3.22Å; Q671-I786 WeakPolarHBondContact CA-O 3.34Å; Q671-I786 WeakPolarHBondContact CG-O 3.43Å; V672-I786 HydrophobicContact CG1-CB 3.79Å; V672-I786 HydrophobicContact CG1-CD1 3.72Å; V672-I786 HydrophobicContact CG1-CG1 3.78Å; V672-I786 PolarHBondContact N-O 3Å; V672-I786 PolarHBondContact O-N 2.86Å; I776-I786 HydrophobicContact CD1-CD1 4.34Å; I776-I786 HydrophobicContact CD1-CG1 4.39Å; I776-I786 HydrophobicContact CD1-CG2 4.45Å; I776-I786 HydrophobicContact CG1-CB 4.29Å; I776-I786 HydrophobicContact CG1-CD1 4.48Å; I776-I786 HydrophobicContact CG1-CG1 4Å; I776-I786 HydrophobicContact CG1-CG2 3.91Å; I776-I786 HydrophobicContact CG2-CG1 4.3Å; I786-Q788 VanDerWaalsContact C-N 3.31Å; I786-Q788 WeakPolarHBondContact CG2-O 3.28Å; I786-Q788 PolarHBondContact O-N 3.41Å; I786-V789 HydrophobicContact CB-CG2 4Å; I786-V789 HydrophobicContact CG2-CG2 3.73Å; I786-Y797 HydrophobicContact CD1-CE1 3.8Å; I786-Y797 VanDerWaalsContact CD1-OH 3.23Å; I786-Y797 WeakPolarHBondContact CD1-OH 3.39Å |
| 787 | K | 81.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 45.6 Ų | 45.6 | 46% | 0.457 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -67.4 | -30.5 | -170.1 | -65.2 | 170.5 | -175.3 | 160.5 | 0 | 113.6 | G774 R775 I785 | G774-K787 PolarHBondContact O-NZ 2.94Å; R775-K787 PolarHBondContact O-N 2.68Å; I785-K787 HydrophobicContact CG2-CG 4.33Å |
| 788 | Q | 81.3 | Confident | 85.5 | Confident | 119 Ų | 119 | 45.3 Ų | 45.3 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -141.8 | 115.1 | 174.2 | -72.1 | 177.5 | -27.2 | 0 | 0 | 107.4 | R775 I786 | R775-Q788 PolarHBondContact NH1-O 2.89Å; I786-Q788 VanDerWaalsContact C-N 3.31Å; I786-Q788 WeakPolarHBondContact CG2-O 3.28Å; I786-Q788 PolarHBondContact O-N 3.41Å |
| 789 | V | 88.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -86.1 | 129.9 | -178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | I666 V668 G669 N670 V672 I786 D793 V817 | I666-V789 HydrophobicContact CD1-CG2 4.35Å; I666-V789 HydrophobicContact CG2-CB 4.47Å; I666-V789 HydrophobicContact CG2-CG1 3.95Å; I666-V789 HydrophobicContact CG2-CG2 4.43Å; V668-V789 WeakPolarHBondContact CA-O 3.47Å; G669-V789 PolarHBondContact N-O 3.4Å; N670-V789 WeakPolarHBondContact O-CB 3.42Å; N670-V789 WeakPolarHBondContact O-CG2 3.46Å; N670-V789 PolarHBondContact O-N 3.05Å; V672-V789 HydrophobicContact CB-CG2 4.04Å; V672-V789 HydrophobicContact CG1-CG2 3.69Å; I786-V789 HydrophobicContact CB-CG2 4Å; I786-V789 HydrophobicContact CG2-CG2 3.73Å; V789-D793 HydrophobicContact CG1-CB 4.33Å; V789-V817 HydrophobicContact CG1-CB 4.25Å; V789-V817 HydrophobicContact CG1-CG1 3.73Å; V789-V817 HydrophobicContact CG1-CG2 3.45Å; V789-V817 VanDerWaalsContact CG1-CG2 3.45Å | ||
| 790 | H | 85.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 40.8 Ų | 40.8 | 39% | 0.394 | 22% | 0.216 | S | C | . | . | trans | -104.3 | 159.7 | 173.2 | -68.4 | -121.3 | 0 | 0 | 0 | 110.5 | S792 D793 | H790-S792 PolarHBondContact O-N 2.89Å; H790-S792 VanDerWaalsContact O-N 3.17Å; H790-D793 PolarHBondContact N-OD2 3.42Å; H790-D793 WeakPolarHBondContact O-CB 3.46Å; H790-D793 PolarHBondContact O-N 3.18Å | ||
| 791 | L | 81.5 | Confident | 86.5 | Confident | 96 Ų | 96 | 36.2 Ų | 36.2 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -53.7 | -35.2 | 171.7 | -77.5 | 119 | 0 | 0 | 0 | 112.6 | V668 D793 Q794 T819 | V668-L791 HydrophobicContact CG2-CD1 3.69Å; V668-L791 HydrophobicContact CG2-CG 3.69Å; L791-D793 PolarHBondContact O-N 2.79Å; L791-D793 VanDerWaalsContact O-N 3.15Å; L791-Q794 WeakPolarHBondContact O-CB 3.5Å; L791-Q794 PolarHBondContact O-N 3.27Å; L791-T819 HydrophobicContact CD1-CG2 4.27Å; L791-T819 HydrophobicContact CD2-CG2 3.98Å |
| 792 | S | 80.9 | Confident | 86.5 | Confident | 72 Ų | 72 | 32.8 Ų | 32.8 | 50% | 0.503 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -69.2 | -3 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | K692 H790 | K692-S792 WeakPolarHBondContact CD-O 3.38Å; K692-S792 VanDerWaalsContact CE-O 3.3Å; K692-S792 WeakPolarHBondContact CE-O 3.42Å; K692-S792 PolarHBondContact NZ-O 3Å; H790-S792 PolarHBondContact O-N 2.89Å; H790-S792 VanDerWaalsContact O-N 3.17Å |
| 793 | D | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -96.2 | 3.4 | 169.8 | -58.1 | -47.1 | 0 | 0 | 0 | 113.1 | K692 R775 V789 H790 L791 A795 Y797 | K692-D793 IonicContact NZ-OD1 2.8Å; K692-D793 PolarHBondContact NZ-OD1 3.3Å; R775-D793 IonicContact CZ-OD1 3.58Å; R775-D793 IonicContact CZ-OD2 2.71Å; R775-D793 VanDerWaalsContact CZ-OD2 3.29Å; R775-D793 IonicContact NH1-OD1 3.55Å; R775-D793 IonicContact NH1-OD2 3.55Å; R775-D793 PolarHBondContact NH1-OD2 3.28Å; R775-D793 IonicContact NH2-OD1 2.76Å; R775-D793 PolarHBondContact NH2-OD1 3.07Å; R775-D793 IonicContact NH2-OD2 3.7Å; R775-D793 PolarHBondContact NH2-OD2 2.81Å; R775-D793 VanDerWaalsContact NH2-OD2 3.09Å; V789-D793 HydrophobicContact CG1-CB 4.33Å; H790-D793 PolarHBondContact N-OD2 3.42Å; H790-D793 WeakPolarHBondContact O-CB 3.46Å; H790-D793 PolarHBondContact O-N 3.18Å; L791-D793 PolarHBondContact O-N 2.79Å; L791-D793 VanDerWaalsContact O-N 3.15Å; D793-A795 PolarHBondContact O-N 3.4Å; D793-Y797 WeakPolarHBondContact O-CE2 3.25Å; D793-Y797 PolarHBondContact O-OH 2.89Å |
| 794 | Q | 89.3 | Confident | 85.6 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | trans | -64.2 | 109.2 | 167.6 | 178 | 160.8 | -82 | 0 | 0 | 110 | P693 L791 F814 V815 R816 V817 | P693-Q794 WeakPolarHBondContact CD-O 3.38Å; L791-Q794 WeakPolarHBondContact O-CB 3.5Å; L791-Q794 PolarHBondContact O-N 3.27Å; Q794-F814 HydrophobicContact CG-CE1 4.1Å; Q794-F814 HydrophobicContact CG-CZ 3.96Å; Q794-V815 WeakPolarHBondContact CA-O 3.42Å; Q794-R816 VanDerWaalsContact OE1-CG 3.27Å; Q794-V817 HydrophobicContact CB-CB 4.18Å; Q794-V817 HydrophobicContact CB-CG2 4.07Å | ||
| 795 | A | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 164.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V690 K692 D793 Y797 V815 | V690-A795 HydrophobicContact CG1-CB 3.63Å; K692-A795 HydrophobicContact CG-CB 3.97Å; D793-A795 PolarHBondContact O-N 3.4Å; A795-Y797 HydrophobicContact CB-CD2 4.17Å; A795-Y797 HydrophobicContact CB-CE2 3.72Å; A795-Y797 WeakPolarHBondContact O-CD2 3.4Å; A795-V815 PolarHBondContact N-O 2.8Å; A795-V815 PolarHBondContact O-N 2.78Å |
| 796 | E | 89.2 | Confident | 83.1 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.1 | 161.4 | -176.7 | -178.9 | -161.6 | 0 | 0 | 108.5 | K691 I798 F814 | K691-E796 HydrophobicContact CB-CB 4.35Å; K691-E796 WeakPolarHBondContact CD-OE2 3.35Å; K691-E796 WeakPolarHBondContact CE-OE2 3.48Å; K691-E796 PolarHBondContact N-O 2.96Å; K691-E796 IonicContact NZ-OE2 3.88Å; K691-E796 PolarHBondContact NZ-OE2 2.66Å; K691-E796 PolarHBondContact O-N 3.16Å; K691-E796 VanDerWaalsContact O-N 3.15Å; E796-I798 HydrophobicContact CG-CD1 4.39Å; E796-I798 HydrophobicContact CG-CG1 3.89Å; E796-F814 HydrophobicContact CB-CD2 4.27Å |
| 797 | Y | 90.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.2 | 176.2 | -74.4 | -99 | 0 | 0 | 0 | 108.6 | L674 V690 L784 I786 D793 A795 V813 V815 | L674-Y797 HydrophobicContact CD1-CD1 3.67Å; L674-Y797 HydrophobicContact CD1-CD2 4.06Å; L674-Y797 HydrophobicContact CD1-CE1 4.44Å; L674-Y797 HydrophobicContact CD1-CG 3.47Å; L674-Y797 VanDerWaalsContact CD1-CG 3.47Å; V690-Y797 HydrophobicContact CB-CD1 4.38Å; V690-Y797 HydrophobicContact CB-CE1 4.23Å; V690-Y797 HydrophobicContact CG1-CD1 4.14Å; V690-Y797 HydrophobicContact CG1-CE1 3.73Å; V690-Y797 HydrophobicContact CG1-CE2 4.18Å; V690-Y797 HydrophobicContact CG2-CD1 3.47Å; V690-Y797 VanDerWaalsContact CG2-CD1 3.47Å; V690-Y797 HydrophobicContact CG2-CE1 3.4Å; V690-Y797 VanDerWaalsContact CG2-CE1 3.4Å; V690-Y797 HydrophobicContact CG2-CG 4.37Å; L784-Y797 HydrophobicContact CD2-CD1 3.47Å; L784-Y797 VanDerWaalsContact CD2-CD1 3.47Å; L784-Y797 HydrophobicContact CD2-CE1 3.71Å; I786-Y797 HydrophobicContact CD1-CE1 3.8Å; I786-Y797 VanDerWaalsContact CD1-OH 3.23Å; I786-Y797 WeakPolarHBondContact CD1-OH 3.39Å; D793-Y797 WeakPolarHBondContact O-CE2 3.25Å; D793-Y797 PolarHBondContact O-OH 2.89Å; A795-Y797 HydrophobicContact CB-CD2 4.17Å; A795-Y797 HydrophobicContact CB-CE2 3.72Å; A795-Y797 WeakPolarHBondContact O-CD2 3.4Å; Y797-V813 PolarHBondContact N-O 2.98Å; Y797-V813 WeakPolarHBondContact O-CG1 3.1Å; Y797-V813 PolarHBondContact O-N 3.06Å; Y797-V815 HydrophobicContact CD2-CB 4Å; Y797-V815 HydrophobicContact CD2-CG2 3.64Å; Y797-V815 HydrophobicContact CE2-CB 3.9Å; Y797-V815 HydrophobicContact CE2-CG2 3.89Å; Y797-V815 HydrophobicContact CG-CG2 4.45Å |
| 798 | I | 89.2 | Confident | 81.8 | Confident | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 108.1 | -175.6 | -52.7 | 174.8 | 0 | 0 | 0 | 108.4 | W688 I689 E796 V800 R810 Q811 | W688-I798 WeakPolarHBondContact CA-O 3.08Å; I689-I798 HydrophobicContact CB-CB 4.35Å; I689-I798 PolarHBondContact N-O 3.2Å; I689-I798 PolarHBondContact O-N 2.83Å; E796-I798 HydrophobicContact CG-CD1 4.39Å; E796-I798 HydrophobicContact CG-CG1 3.89Å; I798-V800 HydrophobicContact CG2-CG2 4Å; I798-V800 PolarHBondContact O-N 2.94Å; I798-R810 HydrophobicContact CG2-CB 3.91Å; I798-Q811 CarbonylContact C-O 3.42Å; I798-Q811 WeakPolarHBondContact CA-O 3.31Å |
| 799 | C | 89.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.7 | 164.9 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I657 I660 C676 W688 R810 Q811 | I657-C799 HydrophobicContact CD1-CB 4.15Å; I660-C799 HydrophobicContact CD1-CB 3.76Å; C676-C799 HydrophobicContact CB-CB 3.72Å; C676-C799 WeakPolarHBondContact CB-SG 3.39Å; C676-C799 WeakPolarHBondContact SG-CB 3.39Å; C676-C799 CovalentContact SG-SG 2.03Å; C676-C799 PolarHBondContact SG-SG 2.82Å; W688-C799 HydrophobicContact CD2-CB 4.31Å; W688-C799 HydrophobicContact CE3-CB 4.05Å; W688-C799 HydrophobicContact CH2-CB 3.87Å; W688-C799 HydrophobicContact CZ2-CB 4.13Å; W688-C799 HydrophobicContact CZ3-CB 3.8Å; C799-R810 CarbonylContact O-C 3.59Å; C799-R810 VanDerWaalsContact O-CA 3.24Å; C799-R810 WeakPolarHBondContact O-CA 3.36Å; C799-Q811 PolarHBondContact N-O 3.26Å; C799-Q811 PolarHBondContact O-N 2.84Å |
| 800 | V | 88.7 | Confident | 81.6 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 104.5 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | S687 I689 I798 K808 T809 R810 | S687-V800 PolarHBondContact N-O 3.48Å; S687-V800 PolarHBondContact O-N 2.93Å; S687-V800 PolarHBondContact OG-O 3.01Å; I689-V800 HydrophobicContact CD1-CG2 3.79Å; I689-V800 HydrophobicContact CG1-CG2 3.95Å; I798-V800 HydrophobicContact CG2-CG2 4Å; I798-V800 PolarHBondContact O-N 2.94Å; V800-K808 HydrophobicContact CG1-CB 4.14Å; V800-K808 HydrophobicContact CG1-CD 4.25Å; V800-K808 HydrophobicContact CG1-CG 4.25Å; V800-T809 WeakPolarHBondContact CA-O 3.43Å; V800-R810 HydrophobicContact CG2-CB 4.06Å |
| 801 | A | 85.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P655 I657 A678 P684 I686 K808 T809 | P655-A801 HydrophobicContact CB-CB 4.36Å; P655-A801 WeakPolarHBondContact CB-O 3.25Å; I657-A801 HydrophobicContact CD1-CB 4.42Å; I657-A801 HydrophobicContact CG1-CB 3.97Å; A678-A801 HydrophobicContact CB-CB 3.43Å; A678-A801 VanDerWaalsContact CB-CB 3.43Å; P684-A801 HydrophobicContact CB-CB 4.01Å; P684-A801 HydrophobicContact CG-CB 4.3Å; I686-A801 HydrophobicContact CG1-CB 4.11Å; A801-K808 WeakPolarHBondContact O-CA 3.46Å; A801-T809 HydrophobicContact CB-CG2 3.96Å; A801-T809 PolarHBondContact N-O 2.86Å; A801-T809 PolarHBondContact O-N 3Å |
| 802 | G | 81.7 | Confident | 81.8 | Confident | 13 Ų | 13 | 50 Ų | 50 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P684 Q685 I807 | P684-G802 CarbonylContact C-O 3.57Å; P684-G802 WeakPolarHBondContact CA-O 3.34Å; Q685-G802 PolarHBondContact N-O 2.89Å; Q685-G802 PolarHBondContact O-N 2.79Å; G802-I807 WeakPolarHBondContact CA-O 3.38Å |
| 803 | N | 79.6 | Confident | 82.2 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | trans | -93.9 | 172.6 | 176.9 | 72.8 | 12.2 | 0 | 0 | 0 | 112.1 | P655 P682 H805 A806 I807 | P655-N803 HydrophobicContact CG-CB 3.98Å; P682-N803 VanDerWaalsContact O-CB 3.3Å; P682-N803 WeakPolarHBondContact O-CB 3.48Å; N803-H805 PolarHBondContact O-N 2.69Å; N803-H805 PolarHBondContact OD1-N 3.3Å; N803-H805 VanDerWaalsContact OD1-N 3.08Å; N803-A806 PolarHBondContact O-N 2.95Å; N803-I807 PolarHBondContact N-O 3.14Å; N803-I807 VanDerWaalsContact N-O 3.1Å; N803-I807 PolarHBondContact OD1-N 2.98Å | ||
| 804 | K | 72 | Confident | 82.2 | Confident | 164 Ų | 164 | 50.5 Ų | 50.5 | 71% | 0.713 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.7 | 179.6 | 62.2 | 163.2 | 179.3 | 165.2 | 0 | 115.2 | P682 A806 | P682-K804 HydrophobicContact CB-CG 4.17Å; P682-K804 HydrophobicContact CG-CD 4.29Å; P682-K804 VanDerWaalsContact CG-CE 3.46Å; P682-K804 HydrophobicContact CG-CG 3.92Å; K804-A806 VanDerWaalsContact C-N 3.29Å |
| 805 | H | 67 | Low | 82.3 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 21.9 | 174.7 | -56 | -59.8 | 0 | 0 | 0 | 112.4 | E567 F569 I650 N803 I807 | E567-H805 IonicContact OE2-CE1 3.83Å; E567-H805 IonicContact OE2-ND1 3.47Å; F569-H805 HydrophobicContact CB-CB 4.16Å; F569-H805 HydrophobicContact CD2-CB 4.07Å; F569-H805 AromaticContact CD2-CD2 3.61Å; F569-H805 AromaticContact CD2-CG 3.91Å; F569-H805 HydrophobicContact CG-CB 4.35Å; I650-H805 WeakPolarHBondContact CD1-CE1 3.38Å; N803-H805 PolarHBondContact O-N 2.69Å; N803-H805 PolarHBondContact OD1-N 3.3Å; N803-H805 VanDerWaalsContact OD1-N 3.08Å; H805-I807 HydrophobicContact CB-CG1 4.47Å; H805-I807 PolarHBondContact O-N 3.46Å |
| 806 | A | 58.5 | Low | 82.2 | Confident | 79 Ų | 79 | 53 Ų | 53 | 65% | 0.653 | 26% | 0.262 | S | S | * | . | trans | 60.8 | 5.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N803 K804 K808 | N803-A806 PolarHBondContact O-N 2.95Å; K804-A806 VanDerWaalsContact C-N 3.29Å; A806-K808 PolarHBondContact O-N 3.06Å | ||
| 807 | I | 68.8 | Low | 82.2 | Confident | 49 Ų | 49 | 51 Ų | 51 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | trans | -70.9 | 126.6 | 174.6 | -50.3 | 178.5 | 0 | 0 | 0 | 107.9 | F569 K654 G802 N803 H805 | F569-I807 HydrophobicContact CB-CD1 4.33Å; F569-I807 HydrophobicContact CD1-CD1 3.23Å; F569-I807 HydrophobicContact CD2-CD1 4.15Å; F569-I807 HydrophobicContact CE1-CD1 3.33Å; F569-I807 HydrophobicContact CE2-CD1 4.23Å; F569-I807 HydrophobicContact CG-CD1 3.65Å; F569-I807 HydrophobicContact CZ-CD1 3.84Å; K654-I807 HydrophobicContact CB-CG2 4.02Å; G802-I807 WeakPolarHBondContact CA-O 3.38Å; N803-I807 PolarHBondContact N-O 3.14Å; N803-I807 VanDerWaalsContact N-O 3.1Å; N803-I807 PolarHBondContact OD1-N 2.98Å; H805-I807 HydrophobicContact CB-CG1 4.47Å; H805-I807 PolarHBondContact O-N 3.46Å | ||
| 808 | K | 75.3 | Confident | 82 | Confident | 153 Ų | 153 | 51.3 Ų | 51.3 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.3 | -176.1 | -68.3 | 170.5 | -174.3 | 178.1 | 0 | 110.4 | V800 A801 A806 | V800-K808 HydrophobicContact CG1-CB 4.14Å; V800-K808 HydrophobicContact CG1-CD 4.25Å; V800-K808 HydrophobicContact CG1-CG 4.25Å; A801-K808 WeakPolarHBondContact O-CA 3.46Å; A806-K808 PolarHBondContact O-N 3.06Å |
| 809 | T | 78.8 | Confident | 81.8 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 157.2 | 162.2 | -167.4 | 0 | 0 | 0 | 0 | 109.7 | P655 I657 V800 A801 | P655-T809 HydrophobicContact CB-CG2 3.92Å; P655-T809 VanDerWaalsContact O-CB 3.29Å; P655-T809 WeakPolarHBondContact O-CB 3.39Å; P655-T809 WeakPolarHBondContact O-CG2 3.24Å; I657-T809 HydrophobicContact CD1-CG2 3.98Å; I657-T809 HydrophobicContact CG1-CG2 3.81Å; V800-T809 WeakPolarHBondContact CA-O 3.43Å; A801-T809 HydrophobicContact CB-CG2 3.96Å; A801-T809 PolarHBondContact N-O 2.86Å; A801-T809 PolarHBondContact O-N 3Å |
| 810 | R | 86.9 | Confident | 81.2 | Confident | 156 Ų | 156 | 54.5 Ų | 54.5 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137 | -176.1 | 68.7 | -171.8 | -172.8 | -147.7 | 7.2 | 112.4 | I798 C799 V800 | I798-R810 HydrophobicContact CG2-CB 3.91Å; C799-R810 CarbonylContact O-C 3.59Å; C799-R810 VanDerWaalsContact O-CA 3.24Å; C799-R810 WeakPolarHBondContact O-CA 3.36Å; V800-R810 HydrophobicContact CG2-CB 4.06Å |
| 811 | Q | 85.1 | Confident | 80.7 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 132.3 | 175.9 | -166.9 | 172.3 | 8.7 | 0 | 0 | 110.6 | I657 I660 I798 C799 | I657-Q811 HydrophobicContact CD1-CB 3.65Å; I660-Q811 HydrophobicContact CD1-CB 4.2Å; I660-Q811 HydrophobicContact CD1-CG 4.3Å; I660-Q811 WeakPolarHBondContact CD1-O 3.33Å; I660-Q811 HydrophobicContact CG2-CG 4.14Å; I798-Q811 CarbonylContact C-O 3.42Å; I798-Q811 WeakPolarHBondContact CA-O 3.31Å; C799-Q811 PolarHBondContact N-O 3.26Å; C799-Q811 PolarHBondContact O-N 2.84Å |
| 812 | G | 84.7 | Confident | 80.5 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 143.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 813 | V | 89.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.4 | 159.7 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | I660 S661 A662 L674 W688 Y797 | I660-V813 HydrophobicContact CD1-CB 4.22Å; I660-V813 HydrophobicContact CD1-CG1 4.15Å; I660-V813 HydrophobicContact CG1-CB 4.46Å; I660-V813 HydrophobicContact CG1-CG1 4.4Å; S661-V813 WeakPolarHBondContact O-CB 3.27Å; S661-V813 WeakPolarHBondContact O-CG2 3.39Å; A662-V813 VanDerWaalsContact O-CG2 3.29Å; A662-V813 WeakPolarHBondContact O-CG2 3.47Å; L674-V813 HydrophobicContact CD1-CG1 3.96Å; L674-V813 HydrophobicContact CD2-CG1 4.13Å; L674-V813 HydrophobicContact CD2-CG2 4.48Å; L674-V813 HydrophobicContact CG-CG1 4.45Å; W688-V813 HydrophobicContact CH2-CG1 4.08Å; W688-V813 HydrophobicContact CZ3-CG1 3.81Å; Y797-V813 PolarHBondContact N-O 2.98Å; Y797-V813 WeakPolarHBondContact O-CG1 3.1Å; Y797-V813 PolarHBondContact O-N 3.06Å |
| 814 | F | 88.1 | Confident | 80 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.3 | 176.9 | -162.7 | -92.4 | 0 | 0 | 0 | 110.9 | N663 Q664 Q794 E796 R816 | N663-F814 WeakPolarHBondContact CA-O 3.4Å; N663-F814 PolarHBondContact OD1-N 2.69Å; Q664-F814 PolarHBondContact N-O 3.11Å; Q794-F814 HydrophobicContact CG-CE1 4.1Å; Q794-F814 HydrophobicContact CG-CZ 3.96Å; E796-F814 HydrophobicContact CB-CD2 4.27Å; F814-R816 HydrophobicContact CD1-CB 4.3Å; F814-R816 HydrophobicContact CE1-CB 4.15Å |
| 815 | V | 90.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.3 | 170.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | Q664 I666 L674 Q794 A795 Y797 V817 | Q664-V815 WeakPolarHBondContact O-CA 3.42Å; I666-V815 HydrophobicContact CG2-CG1 3.93Å; L674-V815 HydrophobicContact CD1-CG2 3.94Å; L674-V815 HydrophobicContact CD2-CG2 3.78Å; L674-V815 HydrophobicContact CG-CG2 4.38Å; Q794-V815 WeakPolarHBondContact CA-O 3.42Å; A795-V815 PolarHBondContact N-O 2.8Å; A795-V815 PolarHBondContact O-N 2.78Å; Y797-V815 HydrophobicContact CD2-CB 4Å; Y797-V815 HydrophobicContact CD2-CG2 3.64Å; Y797-V815 HydrophobicContact CE2-CB 3.9Å; Y797-V815 HydrophobicContact CE2-CG2 3.89Å; Y797-V815 HydrophobicContact CG-CG2 4.45Å; V815-V817 HydrophobicContact CG1-CG2 4.11Å |
| 816 | R | 86.9 | Confident | 79.8 | Confident | 122 Ų | 122 | 73.1 Ų | 73.1 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 170.9 | -170.6 | -179.6 | -178 | 177.8 | -3 | 108.6 | Q664 T665 I666 Q794 F814 L818 | Q664-R816 PolarHBondContact O-N 3.39Å; T665-R816 WeakPolarHBondContact CA-O 3.23Å; T665-R816 HydrophobicContact CG2-CB 4.29Å; T665-R816 HydrophobicContact CG2-CG 4.4Å; I666-R816 PolarHBondContact N-O 2.66Å; Q794-R816 VanDerWaalsContact OE1-CG 3.27Å; F814-R816 HydrophobicContact CD1-CB 4.3Å; F814-R816 HydrophobicContact CE1-CB 4.15Å; R816-L818 HydrophobicContact CG-CD2 4.31Å |
| 817 | V | 89.3 | Confident | 79.7 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.5 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | I666 V668 V789 Q794 V815 | I666-V817 HydrophobicContact CG2-CG2 4.32Å; I666-V817 WeakPolarHBondContact O-CA 3.47Å; V668-V817 HydrophobicContact CG2-CG1 3.58Å; V789-V817 HydrophobicContact CG1-CB 4.25Å; V789-V817 HydrophobicContact CG1-CG1 3.73Å; V789-V817 HydrophobicContact CG1-CG2 3.45Å; V789-V817 VanDerWaalsContact CG1-CG2 3.45Å; Q794-V817 HydrophobicContact CB-CB 4.18Å; Q794-V817 HydrophobicContact CB-CG2 4.07Å; V815-V817 HydrophobicContact CG1-CG2 4.11Å |
| 818 | L | 85.9 | Confident | 79 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.7 | -179.4 | -64 | -172.7 | 0 | 0 | 0 | 111.2 | T665 I666 R667 V668 R816 E822 Y823 | T665-L818 HydrophobicContact CG2-CD1 3.56Å; T665-L818 HydrophobicContact CG2-CG 3.79Å; I666-L818 PolarHBondContact O-N 3.48Å; R667-L818 WeakPolarHBondContact CA-O 3.38Å; V668-L818 WeakPolarHBondContact CG2-O 3.37Å; V668-L818 PolarHBondContact N-O 2.58Å; R816-L818 HydrophobicContact CG-CD2 4.31Å; L818-E822 HydrophobicContact CB-CB 3.94Å; L818-E822 HydrophobicContact CD1-CB 4.32Å; L818-E822 HydrophobicContact CD2-CB 4.08Å; L818-E822 HydrophobicContact CG-CB 4.33Å; L818-Y823 HydrophobicContact CB-CD2 4.46Å |
| 819 | T | 85.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 24% | 0.239 | 37% | 0.366 | C | S | . | . | trans | -55.7 | 161 | 165.9 | 58 | 0 | 0 | 0 | 0 | 111.2 | L791 E821 E822 Y823 | L791-T819 HydrophobicContact CD1-CG2 4.27Å; L791-T819 HydrophobicContact CD2-CG2 3.98Å; T819-E821 PolarHBondContact O-N 3.39Å; T819-E822 VanDerWaalsContact CB-OE2 3.29Å; T819-E822 WeakPolarHBondContact CB-OE2 3.26Å; T819-E822 VanDerWaalsContact CG2-OE2 3.29Å; T819-E822 WeakPolarHBondContact CG2-OE2 3.18Å; T819-E822 PolarHBondContact N-OE2 2.77Å; T819-E822 PolarHBondContact O-N 3.26Å; T819-E822 WeakPolarHBondContact OG1-CB 3.47Å; T819-E822 VanDerWaalsContact OG1-CG 3.24Å; T819-E822 WeakPolarHBondContact OG1-CG 3.36Å; T819-E822 PolarHBondContact OG1-N 3.19Å; T819-E822 VanDerWaalsContact OG1-N 3.09Å; T819-E822 PolarHBondContact OG1-OE2 3.41Å; T819-Y823 VanDerWaalsContact O-CB 3.26Å; T819-Y823 WeakPolarHBondContact O-CB 3.35Å; T819-Y823 PolarHBondContact O-N 2.68Å | ||
| 820 | P | 78.1 | Confident | 75.7 | Confident | 58 Ų | 58 | 79 Ų | 79 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -51.5 | -35.6 | 171.4 | -29.2 | 37.6 | 0 | 0 | 0 | 113.8 | T824 | P820-T824 WeakPolarHBondContact O-CG2 3.44Å; P820-T824 PolarHBondContact O-N 2.92Å; P820-T824 PolarHBondContact O-OG1 3.37Å; P820-T824 VanDerWaalsContact O-OG1 3.07Å |
| 821 | E | 78.4 | Confident | 73.6 | Confident | 150 Ų | 150 | 79.8 Ų | 79.8 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -76.8 | -45.4 | -178.5 | -65.7 | 174.4 | -155.2 | 0 | 0 | 112.8 | T819 Y823 T824 R825 | T819-E821 PolarHBondContact O-N 3.39Å; E821-Y823 VanDerWaalsContact C-N 3.26Å; E821-Y823 PolarHBondContact O-N 2.95Å; E821-T824 PolarHBondContact O-N 3.13Å; E821-T824 PolarHBondContact O-OG1 3.11Å; E821-T824 VanDerWaalsContact O-OG1 3.12Å; E821-R825 WeakPolarHBondContact O-CB 3.47Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.5Å; E821-R825 PolarHBondContact O-N 3.39Å |
| 822 | E | 80.2 | Confident | 71.4 | Confident | 85 Ų | 85 | 78.7 Ų | 78.7 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 172.9 | -69.9 | 163 | 120 | 0 | 0 | 111 | L818 T819 R825 Q826 | L818-E822 HydrophobicContact CB-CB 3.94Å; L818-E822 HydrophobicContact CD1-CB 4.32Å; L818-E822 HydrophobicContact CD2-CB 4.08Å; L818-E822 HydrophobicContact CG-CB 4.33Å; T819-E822 VanDerWaalsContact CB-OE2 3.29Å; T819-E822 WeakPolarHBondContact CB-OE2 3.26Å; T819-E822 VanDerWaalsContact CG2-OE2 3.29Å; T819-E822 WeakPolarHBondContact CG2-OE2 3.18Å; T819-E822 PolarHBondContact N-OE2 2.77Å; T819-E822 PolarHBondContact O-N 3.26Å; T819-E822 WeakPolarHBondContact OG1-CB 3.47Å; T819-E822 VanDerWaalsContact OG1-CG 3.24Å; T819-E822 WeakPolarHBondContact OG1-CG 3.36Å; T819-E822 PolarHBondContact OG1-N 3.19Å; T819-E822 VanDerWaalsContact OG1-N 3.09Å; T819-E822 PolarHBondContact OG1-OE2 3.41Å; E822-R825 PolarHBondContact O-N 3.16Å; E822-Q826 WeakPolarHBondContact O-CB 3.33Å; E822-Q826 PolarHBondContact O-N 3.49Å |
| 823 | Y | 77.1 | Confident | 69.4 | Low | 58 Ų | 58 | 83 Ų | 83 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 178.6 | -165.8 | -91.1 | 0 | 0 | 0 | 111.9 | R667 L818 T819 E821 Q826 Q827 | R667-Y823 HydrophobicContact CB-CD1 4Å; R667-Y823 HydrophobicContact CB-CD2 3.65Å; R667-Y823 HydrophobicContact CB-CE1 4.28Å; R667-Y823 HydrophobicContact CB-CE2 3.96Å; R667-Y823 HydrophobicContact CB-CG 3.67Å; R667-Y823 HydrophobicContact CG-CD1 4.22Å; R667-Y823 HydrophobicContact CG-CD2 4.43Å; R667-Y823 HydrophobicContact CG-CG 3.98Å; L818-Y823 HydrophobicContact CB-CD2 4.46Å; T819-Y823 VanDerWaalsContact O-CB 3.26Å; T819-Y823 WeakPolarHBondContact O-CB 3.35Å; T819-Y823 PolarHBondContact O-N 2.68Å; E821-Y823 VanDerWaalsContact C-N 3.26Å; E821-Y823 PolarHBondContact O-N 2.95Å; Y823-Q826 PolarHBondContact O-N 2.98Å; Y823-Q827 HydrophobicContact CD1-CG 4.17Å; Y823-Q827 HydrophobicContact CE1-CG 4Å; Y823-Q827 VanDerWaalsContact CE1-OE1 3.29Å; Y823-Q827 WeakPolarHBondContact O-CG 3.38Å; Y823-Q827 PolarHBondContact O-N 3.49Å |
| 824 | T | 73 | Confident | 67.4 | Low | 56 Ų | 56 | 89.1 Ų | 89.1 | 34% | 0.344 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 172.9 | 49.9 | 0 | 0 | 0 | 0 | 112 | P820 E821 Q826 Q827 L828 | P820-T824 WeakPolarHBondContact O-CG2 3.44Å; P820-T824 PolarHBondContact O-N 2.92Å; P820-T824 PolarHBondContact O-OG1 3.37Å; P820-T824 VanDerWaalsContact O-OG1 3.07Å; E821-T824 PolarHBondContact O-N 3.13Å; E821-T824 PolarHBondContact O-OG1 3.11Å; E821-T824 VanDerWaalsContact O-OG1 3.12Å; T824-Q826 VanDerWaalsContact C-N 3.34Å; T824-Q826 PolarHBondContact O-N 2.82Å; T824-Q827 CarbonylContact O-C 3.56Å; T824-Q827 PolarHBondContact O-N 3.33Å; T824-L828 VanDerWaalsContact O-CB 3.27Å; T824-L828 WeakPolarHBondContact O-CB 3.36Å; T824-L828 WeakPolarHBondContact O-CD1 3.25Å; T824-L828 WeakPolarHBondContact O-CG 3.47Å; T824-L828 PolarHBondContact O-N 3.38Å |
| 825 | R | 67 | Low | 65.5 | Low | 160 Ų | 160 | 90.3 Ų | 90.3 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.5 | -40.9 | 173.5 | -73.3 | -178.4 | 71.6 | 155.4 | 6.1 | 112.3 | E821 E822 L828 G829 | E821-R825 WeakPolarHBondContact O-CB 3.47Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.5Å; E821-R825 PolarHBondContact O-N 3.39Å; E822-R825 PolarHBondContact O-N 3.16Å; R825-L828 PolarHBondContact O-N 3.42Å; R825-G829 PolarHBondContact O-N 3.03Å |
| 826 | Q | 67.7 | Low | 63.5 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 174.6 | -162.6 | 179.8 | 23.4 | 0 | 0 | 112.3 | E822 Y823 T824 | E822-Q826 WeakPolarHBondContact O-CB 3.33Å; E822-Q826 PolarHBondContact O-N 3.49Å; Y823-Q826 PolarHBondContact O-N 2.98Å; T824-Q826 VanDerWaalsContact C-N 3.34Å; T824-Q826 PolarHBondContact O-N 2.82Å |
| 827 | Q | 58.3 | Low | 61.7 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.8 | -30.7 | 173.8 | -72.4 | -170.9 | -63.3 | 0 | 0 | 113.9 | Y823 T824 G829 | Y823-Q827 HydrophobicContact CD1-CG 4.17Å; Y823-Q827 HydrophobicContact CE1-CG 4Å; Y823-Q827 VanDerWaalsContact CE1-OE1 3.29Å; Y823-Q827 WeakPolarHBondContact O-CG 3.38Å; Y823-Q827 PolarHBondContact O-N 3.49Å; T824-Q827 CarbonylContact O-C 3.56Å; T824-Q827 PolarHBondContact O-N 3.33Å; Q827-G829 VanDerWaalsContact C-N 3.29Å |
| 828 | L | 53.5 | Low | 59.9 | Low | 127 Ų | 127 | 97.5 Ų | 97.5 | 67% | 0.665 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.5 | -10.9 | 179.4 | -75.6 | 164.5 | 0 | 0 | 0 | 113.2 | T824 R825 E830 | T824-L828 VanDerWaalsContact O-CB 3.27Å; T824-L828 WeakPolarHBondContact O-CB 3.36Å; T824-L828 WeakPolarHBondContact O-CD1 3.25Å; T824-L828 WeakPolarHBondContact O-CG 3.47Å; T824-L828 PolarHBondContact O-N 3.38Å; R825-L828 PolarHBondContact O-N 3.42Å; L828-E830 VanDerWaalsContact C-N 3.31Å; L828-E830 PolarHBondContact O-N 3.35Å |
| 829 | G | 46.7 | Very low | 58.5 | Low | 47 Ų | 47 | 104.4 Ų | 104.4 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.6 | 12.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R825 Q827 E831 | R825-G829 PolarHBondContact O-N 3.03Å; Q827-G829 VanDerWaalsContact C-N 3.29Å; G829-E831 PolarHBondContact O-N 3.41Å |
| 830 | E | 38.6 | Very low | 57.6 | Low | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | trans | -78.5 | 50.1 | 178.1 | -66.8 | -163.6 | 149.6 | 0 | 0 | 113.5 | L828 | L828-E830 VanDerWaalsContact C-N 3.31Å; L828-E830 PolarHBondContact O-N 3.35Å | ||
| 831 | E | 42.9 | Very low | 57.3 | Low | 171 Ų | 171 | 107.9 Ų | 107.9 | 80% | 0.799 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -112.2 | 120 | 153.2 | -73.7 | -162.7 | 154.6 | 0 | 0 | 108.4 | G829 T833 | G829-E831 PolarHBondContact O-N 3.41Å; E831-T833 PolarHBondContact O-N 3Å |
| 832 | G | 38.5 | Very low | 56.9 | Low | 63 Ų | 63 | 107.3 Ų | 107.3 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | trans | -53.9 | 100.3 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N834 | G832-N834 PolarHBondContact O-N 3.45Š| ||
| 833 | T | 43.1 | Very low | 56.7 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 77% | 0.767 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 67.2 | -177.7 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | E831 | E831-T833 PolarHBondContact O-N 3Š|
| 834 | N | 46.1 | Very low | 56.6 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.5 | -25.7 | 157.4 | -96.9 | -41 | 0 | 0 | 0 | 113.6 | G832 M838 | G832-N834 PolarHBondContact O-N 3.45Å; N834-M838 WeakPolarHBondContact O-CG 3.43Å; N834-M838 PolarHBondContact O-N 3.1Å |
| 835 | T | 48.1 | Very low | 57 | Low | 105 Ų | 105 | 111 Ų | 111 | 64% | 0.644 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.6 | -40.3 | -178.4 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | K839 | T835-K839 WeakPolarHBondContact O-CB 3.34Å; T835-K839 PolarHBondContact O-N 3.17Å |
| 836 | G | 49 | Very low | 57.6 | Low | 42 Ų | 42 | 105.2 Ų | 105.2 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.7 | -49 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | M838 K839 T840 | G836-M838 PolarHBondContact O-N 3.02Å; G836-K839 PolarHBondContact O-N 3.24Å; G836-T840 PolarHBondContact O-N 3.3Å; G836-T840 PolarHBondContact O-OG1 2.75Å |
| 837 | M | 49.7 | Very low | 58.2 | Low | 143 Ų | 143 | 103.6 Ų | 103.6 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | 179.9 | -163.2 | -177.2 | -66.9 | 0 | 0 | 111.7 | T840 I841 | M837-T840 PolarHBondContact O-N 2.91Å; M837-I841 HydrophobicContact CG-CD1 4.16Å; M837-I841 WeakPolarHBondContact O-CG1 3.41Å; M837-I841 PolarHBondContact O-N 3.29Å |
| 838 | M | 51.6 | Low | 59.3 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 45% | 0.453 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -42.5 | 172.9 | -75.8 | -69.7 | -89.4 | 0 | 0 | 112.1 | N834 G836 T840 I841 F842 | N834-M838 WeakPolarHBondContact O-CG 3.43Å; N834-M838 PolarHBondContact O-N 3.1Å; G836-M838 PolarHBondContact O-N 3.02Å; M838-T840 PolarHBondContact O-N 3.29Å; M838-I841 PolarHBondContact O-N 2.66Å; M838-F842 HydrophobicContact CB-CD2 4.4Å; M838-F842 HydrophobicContact CB-CE2 4.21Å; M838-F842 HydrophobicContact CE-CE2 3.85Å; M838-F842 HydrophobicContact CE-CZ 3.88Å; M838-F842 WeakPolarHBondContact O-CD2 3.39Å; M838-F842 WeakPolarHBondContact O-CG 3.31Å; M838-F842 PolarHBondContact O-N 2.94Å |
| 839 | K | 56.4 | Low | 60.7 | Low | 150 Ų | 150 | 98 Ų | 98 | 65% | 0.652 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.7 | -46.4 | 172.7 | -90.1 | -172.4 | 172.4 | -177.1 | 0 | 111.9 | T835 G836 I841 F842 I843 | T835-K839 WeakPolarHBondContact O-CB 3.34Å; T835-K839 PolarHBondContact O-N 3.17Å; G836-K839 PolarHBondContact O-N 3.24Å; K839-I841 VanDerWaalsContact C-N 3.35Å; K839-I841 PolarHBondContact O-N 2.79Å; K839-F842 PolarHBondContact O-N 3.08Å; K839-I843 WeakPolarHBondContact O-CB 3.37Å; K839-I843 WeakPolarHBondContact O-CD1 3.43Å; K839-I843 VanDerWaalsContact O-CG1 3.22Å; K839-I843 WeakPolarHBondContact O-CG1 3.38Å; K839-I843 PolarHBondContact O-N 3.45Å |
| 840 | T | 65.5 | Low | 62.4 | Low | 85 Ų | 85 | 98.9 Ų | 98.9 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | G836 M837 M838 I843 V844 | G836-T840 PolarHBondContact O-N 3.3Å; G836-T840 PolarHBondContact O-OG1 2.75Å; M837-T840 PolarHBondContact O-N 2.91Å; M838-T840 PolarHBondContact O-N 3.29Å; T840-I843 PolarHBondContact O-N 2.75Å; T840-V844 HydrophobicContact CG2-CG2 4.22Å; T840-V844 WeakPolarHBondContact O-CB 3.47Å; T840-V844 VanDerWaalsContact O-CG2 3.27Å; T840-V844 WeakPolarHBondContact O-CG2 3.27Å; T840-V844 PolarHBondContact O-N 2.92Å |
| 841 | I | 70.8 | Confident | 64.6 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -48.4 | 174.1 | -70.9 | 160.2 | 0 | 0 | 0 | 110.8 | M837 M838 K839 I843 V844 V845 | M837-I841 HydrophobicContact CG-CD1 4.16Å; M837-I841 WeakPolarHBondContact O-CG1 3.41Å; M837-I841 PolarHBondContact O-N 3.29Å; M838-I841 PolarHBondContact O-N 2.66Å; K839-I841 VanDerWaalsContact C-N 3.35Å; K839-I841 PolarHBondContact O-N 2.79Å; I841-I843 VanDerWaalsContact C-N 3.33Å; I841-I843 PolarHBondContact O-N 2.81Å; I841-V844 PolarHBondContact O-N 3.07Å; I841-V845 HydrophobicContact CG2-CG2 4.17Å; I841-V845 VanDerWaalsContact O-CB 3.27Å; I841-V845 WeakPolarHBondContact O-CB 3.28Å; I841-V845 VanDerWaalsContact O-CG2 3.25Å; I841-V845 WeakPolarHBondContact O-CG2 3.03Å; I841-V845 PolarHBondContact O-N 3.49Å |
| 842 | F | 70.5 | Confident | 66.5 | Low | 138 Ų | 138 | 96 Ų | 96 | 61% | 0.605 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -35.5 | 178.1 | -72.2 | -55.6 | 0 | 0 | 0 | 113 | M838 K839 G846 | M838-F842 HydrophobicContact CB-CD2 4.4Å; M838-F842 HydrophobicContact CB-CE2 4.21Å; M838-F842 HydrophobicContact CE-CE2 3.85Å; M838-F842 HydrophobicContact CE-CZ 3.88Å; M838-F842 WeakPolarHBondContact O-CD2 3.39Å; M838-F842 WeakPolarHBondContact O-CG 3.31Å; M838-F842 PolarHBondContact O-N 2.94Å; K839-F842 PolarHBondContact O-N 3.08Å; F842-G846 WeakPolarHBondContact O-CA 3.34Å; F842-G846 PolarHBondContact O-N 2.61Å |
| 843 | I | 75.7 | Confident | 68.5 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 54% | 0.544 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.8 | -47.9 | 175 | -69.4 | 164 | 0 | 0 | 0 | 110.5 | K839 T840 I841 G846 C847 | K839-I843 WeakPolarHBondContact O-CB 3.37Å; K839-I843 WeakPolarHBondContact O-CD1 3.43Å; K839-I843 VanDerWaalsContact O-CG1 3.22Å; K839-I843 WeakPolarHBondContact O-CG1 3.38Å; K839-I843 PolarHBondContact O-N 3.45Å; T840-I843 PolarHBondContact O-N 2.75Å; I841-I843 VanDerWaalsContact C-N 3.33Å; I841-I843 PolarHBondContact O-N 2.81Å; I843-G846 PolarHBondContact O-N 3.27Å; I843-C847 VanDerWaalsContact O-CB 3.28Å; I843-C847 WeakPolarHBondContact O-CB 3.29Å; I843-C847 PolarHBondContact O-N 2.99Å; I843-C847 PolarHBondContact O-SG 2.74Å |
| 844 | V | 76.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 93.6 Ų | 93.6 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 179.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | T840 I841 A848 | T840-V844 HydrophobicContact CG2-CG2 4.22Å; T840-V844 WeakPolarHBondContact O-CB 3.47Å; T840-V844 VanDerWaalsContact O-CG2 3.27Å; T840-V844 WeakPolarHBondContact O-CG2 3.27Å; T840-V844 PolarHBondContact O-N 2.92Å; I841-V844 PolarHBondContact O-N 3.07Å; V844-A848 VanDerWaalsContact O-CB 3.22Å; V844-A848 WeakPolarHBondContact O-CB 3.4Å; V844-A848 PolarHBondContact O-N 2.72Å |
| 845 | V | 80.3 | Confident | 72.4 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | I841 A848 V849 | I841-V845 HydrophobicContact CG2-CG2 4.17Å; I841-V845 VanDerWaalsContact O-CB 3.27Å; I841-V845 WeakPolarHBondContact O-CB 3.28Å; I841-V845 VanDerWaalsContact O-CG2 3.25Å; I841-V845 WeakPolarHBondContact O-CG2 3.03Å; I841-V845 PolarHBondContact O-N 3.49Å; V845-A848 PolarHBondContact O-N 3.01Å; V845-V849 HydrophobicContact CG1-CG2 4.29Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 VanDerWaalsContact O-CG2 3.31Å; V845-V849 WeakPolarHBondContact O-CG2 3.45Å; V845-V849 PolarHBondContact O-N 3.42Å |
| 846 | G | 80.4 | Confident | 74.1 | Confident | 39 Ų | 39 | 90.4 Ų | 90.4 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F842 I843 V849 A850 | F842-G846 WeakPolarHBondContact O-CA 3.34Å; F842-G846 PolarHBondContact O-N 2.61Å; I843-G846 PolarHBondContact O-N 3.27Å; G846-V849 PolarHBondContact O-N 3.08Å; G846-A850 VanDerWaalsContact O-CB 3.25Å; G846-A850 WeakPolarHBondContact O-CB 3.5Å; G846-A850 PolarHBondContact O-N 3.1Å |
| 847 | C | 79.8 | Confident | 75.7 | Confident | 80 Ų | 80 | 90 Ų | 90 | 54% | 0.541 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 173.7 | -72.5 | 0 | 0 | 0 | 0 | 112 | I843 A850 Y851 | I843-C847 VanDerWaalsContact O-CB 3.28Å; I843-C847 WeakPolarHBondContact O-CB 3.29Å; I843-C847 PolarHBondContact O-N 2.99Å; I843-C847 PolarHBondContact O-SG 2.74Å; C847-A850 PolarHBondContact O-N 2.98Å; C847-Y851 WeakPolarHBondContact O-CB 3.39Å; C847-Y851 PolarHBondContact O-N 3.28Å |
| 848 | A | 81.6 | Confident | 77.1 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V844 V845 Y851 L852 | V844-A848 VanDerWaalsContact O-CB 3.22Å; V844-A848 WeakPolarHBondContact O-CB 3.4Å; V844-A848 PolarHBondContact O-N 2.72Å; V845-A848 PolarHBondContact O-N 3.01Å; A848-Y851 PolarHBondContact O-N 2.83Å; A848-L852 VanDerWaalsContact O-CB 3.28Å; A848-L852 WeakPolarHBondContact O-CB 3.33Å; A848-L852 VanDerWaalsContact O-CG 3.29Å; A848-L852 WeakPolarHBondContact O-CG 3.21Å; A848-L852 PolarHBondContact O-N 3.47Å |
| 849 | V | 83.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -38.9 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V845 G846 G853 | V845-V849 HydrophobicContact CG1-CG2 4.29Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 VanDerWaalsContact O-CG2 3.31Å; V845-V849 WeakPolarHBondContact O-CG2 3.45Å; V845-V849 PolarHBondContact O-N 3.42Å; G846-V849 PolarHBondContact O-N 3.08Å; V849-G853 WeakPolarHBondContact O-CA 3.08Å; V849-G853 PolarHBondContact O-N 3.03Å |
| 850 | A | 81.4 | Confident | 79.7 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G846 C847 G853 L854 | G846-A850 VanDerWaalsContact O-CB 3.25Å; G846-A850 WeakPolarHBondContact O-CB 3.5Å; G846-A850 PolarHBondContact O-N 3.1Å; C847-A850 PolarHBondContact O-N 2.98Å; A850-G853 CarbonylContact O-C 3.58Å; A850-G853 PolarHBondContact O-N 2.84Å; A850-L854 VanDerWaalsContact O-CB 3.3Å; A850-L854 WeakPolarHBondContact O-CB 3.48Å; A850-L854 PolarHBondContact O-N 3.13Å |
| 851 | Y | 85 | Confident | 80.4 | Confident | 156 Ų | 156 | 85 Ų | 85 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71 | -40.3 | 178.1 | -165.7 | -109.5 | 0 | 0 | 0 | 111.9 | C847 A848 L854 I855 | C847-Y851 WeakPolarHBondContact O-CB 3.39Å; C847-Y851 PolarHBondContact O-N 3.28Å; A848-Y851 PolarHBondContact O-N 2.83Å; Y851-L854 PolarHBondContact O-N 3.03Å; Y851-I855 HydrophobicContact CD1-CD1 3.67Å; Y851-I855 HydrophobicContact CE1-CD1 3.47Å; Y851-I855 VanDerWaalsContact CE1-CD1 3.47Å; Y851-I855 HydrophobicContact CE1-CG1 4.43Å; Y851-I855 HydrophobicContact CG-CD1 4.48Å; Y851-I855 WeakPolarHBondContact O-CB 3.08Å; Y851-I855 WeakPolarHBondContact O-CG1 3.47Å; Y851-I855 PolarHBondContact O-N 2.72Å |
| 852 | L | 82.2 | Confident | 80.4 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 168.4 | -77.4 | 167.4 | 0 | 0 | 0 | 111.4 | A848 L854 I855 I856 | A848-L852 VanDerWaalsContact O-CB 3.28Å; A848-L852 WeakPolarHBondContact O-CB 3.33Å; A848-L852 VanDerWaalsContact O-CG 3.29Å; A848-L852 WeakPolarHBondContact O-CG 3.21Å; A848-L852 PolarHBondContact O-N 3.47Å; L852-L854 VanDerWaalsContact C-N 3.31Å; L852-L854 PolarHBondContact O-N 2.76Å; L852-I855 PolarHBondContact O-N 2.96Å; L852-I856 VanDerWaalsContact O-CB 3.26Å; L852-I856 WeakPolarHBondContact O-CB 3.47Å; L852-I856 WeakPolarHBondContact O-CD1 3.34Å; L852-I856 WeakPolarHBondContact O-CG1 3.36Å; L852-I856 PolarHBondContact O-N 2.75Å |
| 853 | G | 81.3 | Confident | 80.7 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V849 A850 G857 | V849-G853 WeakPolarHBondContact O-CA 3.08Å; V849-G853 PolarHBondContact O-N 3.03Å; A850-G853 CarbonylContact O-C 3.58Å; A850-G853 PolarHBondContact O-N 2.84Å; G853-G857 WeakPolarHBondContact O-CA 3.22Å; G853-G857 PolarHBondContact O-N 2.81Å |
| 854 | L | 86.3 | Confident | 80.6 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.6 | -39.5 | 174.7 | -176.2 | 147.8 | 0 | 0 | 0 | 111.8 | A850 Y851 L852 G857 L858 | A850-L854 VanDerWaalsContact O-CB 3.3Å; A850-L854 WeakPolarHBondContact O-CB 3.48Å; A850-L854 PolarHBondContact O-N 3.13Å; Y851-L854 PolarHBondContact O-N 3.03Å; L852-L854 VanDerWaalsContact C-N 3.31Å; L852-L854 PolarHBondContact O-N 2.76Å; L854-G857 PolarHBondContact O-N 3.19Å; L854-L858 HydrophobicContact CD2-CD1 3.63Å; L854-L858 HydrophobicContact CD2-CG 4.33Å; L854-L858 HydrophobicContact CG-CD1 4.36Å; L854-L858 VanDerWaalsContact O-CB 3.3Å; L854-L858 WeakPolarHBondContact O-CB 3.26Å; L854-L858 WeakPolarHBondContact O-CG 3.25Å; L854-L858 PolarHBondContact O-N 3.14Å |
| 855 | I | 84.7 | Confident | 80.3 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 36% | 0.359 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 172.9 | -73.9 | 170.3 | 0 | 0 | 0 | 110.7 | Y851 L852 L858 T859 | Y851-I855 HydrophobicContact CD1-CD1 3.67Å; Y851-I855 HydrophobicContact CE1-CD1 3.47Å; Y851-I855 VanDerWaalsContact CE1-CD1 3.47Å; Y851-I855 HydrophobicContact CE1-CG1 4.43Å; Y851-I855 HydrophobicContact CG-CD1 4.48Å; Y851-I855 WeakPolarHBondContact O-CB 3.08Å; Y851-I855 WeakPolarHBondContact O-CG1 3.47Å; Y851-I855 PolarHBondContact O-N 2.72Å; L852-I855 PolarHBondContact O-N 2.96Å; I855-L858 PolarHBondContact O-N 3.47Å; I855-T859 HydrophobicContact CG2-CG2 4.36Å; I855-T859 VanDerWaalsContact O-CB 3.29Å; I855-T859 WeakPolarHBondContact O-CB 3.37Å; I855-T859 VanDerWaalsContact O-CG2 3.3Å; I855-T859 WeakPolarHBondContact O-CG2 3.26Å; I855-T859 PolarHBondContact O-N 3.13Å; I855-T859 PolarHBondContact O-OG1 2.83Å |
| 856 | I | 83 | Confident | 79.5 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.4 | -67.9 | 164.9 | 0 | 0 | 0 | 109.7 | L852 T859 T860 | L852-I856 VanDerWaalsContact O-CB 3.26Å; L852-I856 WeakPolarHBondContact O-CB 3.47Å; L852-I856 WeakPolarHBondContact O-CD1 3.34Å; L852-I856 WeakPolarHBondContact O-CG1 3.36Å; L852-I856 PolarHBondContact O-N 2.75Å; I856-T859 WeakPolarHBondContact CA-OG1 3.39Å; I856-T859 PolarHBondContact O-OG1 3.12Å; I856-T860 HydrophobicContact CG2-CG2 4.15Å; I856-T860 VanDerWaalsContact O-CB 3.24Å; I856-T860 WeakPolarHBondContact O-CB 3.4Å; I856-T860 VanDerWaalsContact O-CG2 3.23Å; I856-T860 WeakPolarHBondContact O-CG2 3.23Å; I856-T860 PolarHBondContact O-N 2.86Å; I856-T860 PolarHBondContact O-OG1 3.36Å |
| 857 | G | 83.5 | Confident | 78.7 | Confident | 34 Ų | 34 | 84.5 Ų | 84.5 | 35% | 0.351 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G853 L854 T860 F861 | G853-G857 WeakPolarHBondContact O-CA 3.22Å; G853-G857 PolarHBondContact O-N 2.81Å; L854-G857 PolarHBondContact O-N 3.19Å; G857-T860 PolarHBondContact O-OG1 3.3Å; G857-F861 WeakPolarHBondContact O-CB 3.39Å; G857-F861 PolarHBondContact O-N 3.35Å |
| 858 | L | 79.5 | Confident | 77.4 | Confident | 98 Ų | 98 | 89 Ų | 89 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.4 | -40.7 | 177.3 | -73.1 | 178.1 | 0 | 0 | 0 | 112.6 | L854 I855 F861 C862 | L854-L858 HydrophobicContact CD2-CD1 3.63Å; L854-L858 HydrophobicContact CD2-CG 4.33Å; L854-L858 HydrophobicContact CG-CD1 4.36Å; L854-L858 VanDerWaalsContact O-CB 3.3Å; L854-L858 WeakPolarHBondContact O-CB 3.26Å; L854-L858 WeakPolarHBondContact O-CG 3.25Å; L854-L858 PolarHBondContact O-N 3.14Å; I855-L858 PolarHBondContact O-N 3.47Å; L858-F861 PolarHBondContact O-N 3.43Å; L858-C862 WeakPolarHBondContact O-CB 3.05Å; L858-C862 PolarHBondContact O-N 2.94Å; L858-C862 PolarHBondContact O-SG 2.7Å |
| 859 | T | 81.3 | Confident | 75.9 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 112 | I855 I856 S863 | I855-T859 HydrophobicContact CG2-CG2 4.36Å; I855-T859 VanDerWaalsContact O-CB 3.29Å; I855-T859 WeakPolarHBondContact O-CB 3.37Å; I855-T859 VanDerWaalsContact O-CG2 3.3Å; I855-T859 WeakPolarHBondContact O-CG2 3.26Å; I855-T859 PolarHBondContact O-N 3.13Å; I855-T859 PolarHBondContact O-OG1 2.83Å; I856-T859 WeakPolarHBondContact CA-OG1 3.39Å; I856-T859 PolarHBondContact O-OG1 3.12Å; T859-S863 WeakPolarHBondContact O-CB 3.46Å; T859-S863 PolarHBondContact O-N 3.18Å; T859-S863 PolarHBondContact O-OG 3.48Å |
| 860 | T | 80.5 | Confident | 74.1 | Confident | 74 Ų | 74 | 93.9 Ų | 93.9 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.2 | -40.6 | 171 | 58 | 0 | 0 | 0 | 0 | 111.7 | I856 G857 S863 V864 | I856-T860 HydrophobicContact CG2-CG2 4.15Å; I856-T860 VanDerWaalsContact O-CB 3.24Å; I856-T860 WeakPolarHBondContact O-CB 3.4Å; I856-T860 VanDerWaalsContact O-CG2 3.23Å; I856-T860 WeakPolarHBondContact O-CG2 3.23Å; I856-T860 PolarHBondContact O-N 2.86Å; I856-T860 PolarHBondContact O-OG1 3.36Å; G857-T860 PolarHBondContact O-OG1 3.3Å; T860-S863 PolarHBondContact O-N 2.9Å; T860-V864 VanDerWaalsContact O-CB 3.27Å; T860-V864 WeakPolarHBondContact O-CB 3.47Å; T860-V864 VanDerWaalsContact O-CG2 3.25Å; T860-V864 WeakPolarHBondContact O-CG2 3.21Å; T860-V864 PolarHBondContact O-N 2.82Å |
| 861 | F | 80.7 | Confident | 72.2 | Confident | 115 Ų | 115 | 99.5 Ų | 99.5 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 172.9 | 178.9 | -101.8 | 0 | 0 | 0 | 111.5 | G857 L858 V864 R865 | G857-F861 WeakPolarHBondContact O-CB 3.39Å; G857-F861 PolarHBondContact O-N 3.35Å; L858-F861 PolarHBondContact O-N 3.43Å; F861-V864 PolarHBondContact O-N 3.02Å; F861-R865 WeakPolarHBondContact O-CB 3.43Å; F861-R865 PolarHBondContact O-N 2.78Å |
| 862 | C | 70.8 | Confident | 70.2 | Confident | 61 Ų | 61 | 97.6 Ų | 97.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.8 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | L858 M866 | L858-C862 WeakPolarHBondContact O-CB 3.05Å; L858-C862 PolarHBondContact O-N 2.94Å; L858-C862 PolarHBondContact O-SG 2.7Å; C862-M866 WeakPolarHBondContact O-CB 3.32Å; C862-M866 WeakPolarHBondContact O-CG 3.3Å; C862-M866 PolarHBondContact O-N 2.57Å |
| 863 | S | 77.1 | Confident | 68.1 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.3 | -43.4 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 112 | T859 T860 M866 V867 | T859-S863 WeakPolarHBondContact O-CB 3.46Å; T859-S863 PolarHBondContact O-N 3.18Å; T859-S863 PolarHBondContact O-OG 3.48Å; T860-S863 PolarHBondContact O-N 2.9Å; S863-M866 PolarHBondContact O-N 3.19Å; S863-V867 VanDerWaalsContact O-CB 3.31Å; S863-V867 WeakPolarHBondContact O-CB 3.34Å; S863-V867 VanDerWaalsContact O-CG2 3.25Å; S863-V867 WeakPolarHBondContact O-CG2 3.48Å; S863-V867 PolarHBondContact O-N 3.42Å |
| 864 | V | 72.3 | Confident | 66 | Low | 68 Ų | 68 | 105.1 Ų | 105.1 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | T860 F861 V867 R868 | T860-V864 VanDerWaalsContact O-CB 3.27Å; T860-V864 WeakPolarHBondContact O-CB 3.47Å; T860-V864 VanDerWaalsContact O-CG2 3.25Å; T860-V864 WeakPolarHBondContact O-CG2 3.21Å; T860-V864 PolarHBondContact O-N 2.82Å; F861-V864 PolarHBondContact O-N 3.02Å; V864-V867 PolarHBondContact O-N 2.84Å; V864-R868 HydrophobicContact CG1-CG 4.34Å; V864-R868 WeakPolarHBondContact O-CB 3.49Å; V864-R868 WeakPolarHBondContact O-CG 3.18Å; V864-R868 PolarHBondContact O-N 2.89Å |
| 865 | R | 69.9 | Low | 63.6 | Low | 156 Ų | 156 | 111.1 Ų | 111.1 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -38.7 | 173.8 | -169.7 | 170.4 | -178.8 | 152.9 | -1.7 | 111.5 | F861 T869 | F861-R865 WeakPolarHBondContact O-CB 3.43Å; F861-R865 PolarHBondContact O-N 2.78Å; R865-T869 WeakPolarHBondContact O-CB 3.26Å; R865-T869 VanDerWaalsContact O-CG2 3.31Å; R865-T869 WeakPolarHBondContact O-CG2 3.33Å; R865-T869 PolarHBondContact O-N 2.91Å; R865-T869 PolarHBondContact O-OG1 2.88Å |
| 866 | M | 64.2 | Low | 61.3 | Low | 107 Ų | 107 | 117 Ų | 117 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 172.1 | -85 | -160.3 | -93.7 | 0 | 0 | 112.5 | C862 S863 T869 R870 | C862-M866 WeakPolarHBondContact O-CB 3.32Å; C862-M866 WeakPolarHBondContact O-CG 3.3Å; C862-M866 PolarHBondContact O-N 2.57Å; S863-M866 PolarHBondContact O-N 3.19Å; M866-T869 WeakPolarHBondContact CA-OG1 3.46Å; M866-T869 PolarHBondContact O-OG1 2.9Å; M866-R870 WeakPolarHBondContact O-CB 3.36Å; M866-R870 VanDerWaalsContact O-CG 3.27Å; M866-R870 WeakPolarHBondContact O-CG 3.28Å; M866-R870 PolarHBondContact O-N 3.01Å |
| 867 | V | 64.8 | Low | 58.7 | Low | 75 Ų | 75 | 117.6 Ų | 117.6 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.3 | -38.4 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.1 | S863 V864 R871 | S863-V867 VanDerWaalsContact O-CB 3.31Å; S863-V867 WeakPolarHBondContact O-CB 3.34Å; S863-V867 VanDerWaalsContact O-CG2 3.25Å; S863-V867 WeakPolarHBondContact O-CG2 3.48Å; S863-V867 PolarHBondContact O-N 3.42Å; V864-V867 PolarHBondContact O-N 2.84Å; V867-R871 VanDerWaalsContact O-CB 3.28Å; V867-R871 WeakPolarHBondContact O-CB 3.29Å; V867-R871 PolarHBondContact O-N 2.86Å |
| 868 | R | 52.4 | Low | 56 | Low | 175 Ų | 175 | 119.9 Ų | 119.9 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -46.2 | 171 | -76.6 | 174.5 | 172.9 | 163.8 | -2.4 | 111.2 | V864 N872 | V864-R868 HydrophobicContact CG1-CG 4.34Å; V864-R868 WeakPolarHBondContact O-CB 3.49Å; V864-R868 WeakPolarHBondContact O-CG 3.18Å; V864-R868 PolarHBondContact O-N 2.89Å; R868-N872 WeakPolarHBondContact O-CB 3.18Å; R868-N872 VanDerWaalsContact O-CG 3.27Å; R868-N872 PolarHBondContact O-N 3.27Å; R868-N872 PolarHBondContact O-OD1 3.37Å |
| 869 | T | 48.8 | Very low | 53.5 | Low | 58 Ų | 58 | 118.7 Ų | 118.7 | 36% | 0.356 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.7 | -37.2 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | R865 M866 N872 R873 | R865-T869 WeakPolarHBondContact O-CB 3.26Å; R865-T869 VanDerWaalsContact O-CG2 3.31Å; R865-T869 WeakPolarHBondContact O-CG2 3.33Å; R865-T869 PolarHBondContact O-N 2.91Å; R865-T869 PolarHBondContact O-OG1 2.88Å; M866-T869 WeakPolarHBondContact CA-OG1 3.46Å; M866-T869 PolarHBondContact O-OG1 2.9Å; T869-N872 PolarHBondContact O-N 3.4Å; T869-R873 VanDerWaalsContact O-CB 3.31Å; T869-R873 WeakPolarHBondContact O-CB 3.45Å; T869-R873 VanDerWaalsContact O-CG 3.25Å; T869-R873 WeakPolarHBondContact O-CG 3.3Å; T869-R873 PolarHBondContact O-N 3.14Å |
| 870 | R | 46 | Very low | 50.8 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 70% | 0.698 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -43.5 | 172 | -78.1 | -177.5 | 172.2 | -170.6 | -2 | 111.7 | M866 R873 S874 | M866-R870 WeakPolarHBondContact O-CB 3.36Å; M866-R870 VanDerWaalsContact O-CG 3.27Å; M866-R870 WeakPolarHBondContact O-CG 3.28Å; M866-R870 PolarHBondContact O-N 3.01Å; R870-R873 PolarHBondContact O-N 3.43Å; R870-S874 WeakPolarHBondContact O-CB 3.2Å; R870-S874 PolarHBondContact O-N 2.9Å |
| 871 | R | 42.9 | Very low | 48 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 174 | -83.1 | -177.1 | 162.1 | 160.2 | -3.6 | 112.6 | V867 R875 | V867-R871 VanDerWaalsContact O-CB 3.28Å; V867-R871 WeakPolarHBondContact O-CB 3.29Å; V867-R871 PolarHBondContact O-N 2.86Å; R871-R875 PolarHBondContact O-N 3.03Å |
| 872 | N | 43.2 | Very low | 45.3 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 63% | 0.626 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.9 | -34.6 | 176.9 | -73.1 | 2.3 | 0 | 0 | 0 | 112.6 | R868 T869 | R868-N872 WeakPolarHBondContact O-CB 3.18Å; R868-N872 VanDerWaalsContact O-CG 3.27Å; R868-N872 PolarHBondContact O-N 3.27Å; R868-N872 PolarHBondContact O-OD1 3.37Å; T869-N872 PolarHBondContact O-N 3.4Å |
| 873 | R | 37.1 | Very low | 42.9 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.8 | -45.7 | 173.5 | -73.3 | 172.8 | 175.4 | 176.5 | -2.1 | 111.7 | T869 R870 R875 K876 | T869-R873 VanDerWaalsContact O-CB 3.31Å; T869-R873 WeakPolarHBondContact O-CB 3.45Å; T869-R873 VanDerWaalsContact O-CG 3.25Å; T869-R873 WeakPolarHBondContact O-CG 3.3Å; T869-R873 PolarHBondContact O-N 3.14Å; R870-R873 PolarHBondContact O-N 3.43Å; R873-R875 PolarHBondContact O-N 2.86Å; R873-R875 VanDerWaalsContact O-N 3.08Å; R873-K876 PolarHBondContact O-N 3.05Å; R873-K876 VanDerWaalsContact O-N 3.17Å |
| 874 | S | 37.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -8.4 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 114.9 | R870 | R870-S874 WeakPolarHBondContact O-CB 3.2Å; R870-S874 PolarHBondContact O-N 2.9Å |
| 875 | R | 35.9 | Very low | 38 | Very low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 0.5 | 176 | -84.8 | -175.1 | 164.5 | -175.2 | -5.1 | 114.6 | R871 R873 | R871-R875 PolarHBondContact O-N 3.03Å; R873-R875 PolarHBondContact O-N 2.86Å; R873-R875 VanDerWaalsContact O-N 3.08Å |
| 876 | K | 35.4 | Very low | 35.7 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -2.1 | -177.2 | -85.1 | -166.1 | 171.3 | -171 | 0 | 116.5 | R873 | R873-K876 PolarHBondContact O-N 3.05Å; R873-K876 VanDerWaalsContact O-N 3.17Å |
| 877 | S | 28.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -150.3 | 135 | 163.3 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 878 | G | 27.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 145.9 Ų | 145.9 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | 153.2 | 55.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 879 | G | 26.7 | Very low | 30.4 | Very low | 72 Ų | 72 | 144.3 Ų | 144.3 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -135.6 | 127 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 880 | K | 24.3 | Very low | 29.4 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | 73.2 | 104.5 | 174.4 | -65.1 | -171.8 | 174.8 | -174.9 | 0 | 119.1 | ||||
| 881 | L | 22 | Very low | 28.2 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 84.3 | 147.3 | 122.8 | -77.4 | 162.1 | 0 | 0 | 0 | 121.9 | |||||
| 882 | H | 23.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | trans | 51.2 | 121.1 | -174 | -68.5 | -74.4 | 0 | 0 | 0 | 116.8 | ||||
| 883 | E | 21.1 | Very low | 26.4 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | 79.7 | 136.4 | 34.9 | -162.7 | 179.2 | -126.7 | 0 | 0 | 113.3 | ||||
| 884 | N | 22.9 | Very low | 25.9 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 67.9 | 137.1 | -158.1 | -49.5 | -50 | 0 | 0 | 0 | 113.7 | ||||
| 885 | G | 22.9 | Very low | 25.2 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 172.8 | 103.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 886 | Q | 22 | Very low | 24.8 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | 63.9 | -173 | 157.4 | -58.1 | -177.5 | -15.1 | 0 | 0 | 117.6 | ||||
| 887 | L | 23.5 | Very low | 24.6 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 72.1 | 127.4 | -173.4 | -45.8 | 177.3 | 0 | 0 | 0 | 116 | ||||
| 888 | L | 22.9 | Very low | 24.3 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | cis | -156.4 | 133.4 | -21.1 | -120.5 | 173 | 0 | 0 | 0 | 108.3 | ||||
| 889 | N | 23.3 | Very low | 24.1 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -83.5 | 157.6 | 156.9 | -112.6 | 9.2 | 0 | 0 | 0 | 107.3 | ||||
| 890 | P | 27.8 | Very low | 24 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -151.2 | 172.4 | 60.8 | 39.9 | -19.8 | 0 | 0 | 0 | 117.5 | |||||
| 891 | L | 21 | Very low | 23.9 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -119.8 | 149.4 | 153.9 | -96.1 | 166 | 0 | 0 | 0 | 109.1 | ||||
| 892 | N | 23.8 | Very low | 23.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -14.7 | 135.4 | 179.2 | -55 | -6.2 | 0 | 0 | 0 | 120.5 | ||||
| 893 | D | 24.5 | Very low | 23.8 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 155.6 | 145.8 | -141 | -38.1 | 0 | 0 | 0 | 108 | S895 | D893-S895 PolarHBondContact OD1-N 2.71Å; D893-S895 VanDerWaalsContact OD1-N 3.13Å | ||
| 894 | P | 27 | Very low | 23.9 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -149.1 | 149.2 | 80.1 | 37.9 | -18.7 | 0 | 0 | 0 | 117.9 | |||||
| 895 | S | 22.9 | Very low | 24 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 73.8 | 96 | 139.5 | 63.1 | 0 | 0 | 0 | 0 | 121.4 | D893 | D893-S895 PolarHBondContact OD1-N 2.71Å; D893-S895 VanDerWaalsContact OD1-N 3.13Å | ||
| 896 | N | 27.2 | Very low | 24 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | -166.3 | 158 | 109.2 | -137.8 | 16.6 | 0 | 0 | 0 | 110.4 | |||||
| 897 | P | 30.8 | Very low | 24.1 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 62% | 0.617 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 173.5 | -165.3 | 39.7 | -36.5 | 0 | 0 | 0 | 116.5 | ||||
| 898 | N | 23.8 | Very low | 24 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | 72.9 | 139.1 | 176.4 | -56.4 | -36.2 | 0 | 0 | 0 | 116.2 | ||||
| 899 | G | 23.2 | Very low | 24 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | cis | 152.7 | 76.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 900 | G | 23.4 | Very low | 23.9 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | 168.8 | 132.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 901 | K | 22.8 | Very low | 23.6 | Very low | 202 Ų | 202 | 123.1 Ų | 123.1 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | 66.2 | 134.7 | 79.5 | -74.6 | 179.2 | -178.3 | 173.6 | 0 | 113.2 | |||||
| 902 | R | 20.8 | Very low | 23.6 | Very low | 234 Ų | 234 | 121.1 Ų | 121.1 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | cis | -176.9 | 126.7 | -14.6 | -139.9 | -174.5 | -174.8 | -166 | 2.5 | 107.7 | ||||
| 903 | G | 22.3 | Very low | 23.6 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 61.6 | -168 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 904 | S | 24.3 | Very low | 23.5 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | cis | 177.1 | 123.1 | -28.4 | 169.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 905 | Q | 23.5 | Very low | 23.4 | Very low | 193 Ų | 193 | 115.8 Ų | 115.8 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | 66.3 | 163.8 | 168 | -61.1 | 172.7 | -1.3 | 0 | 0 | 117.7 | ||||
| 906 | G | 24.1 | Very low | 23.8 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | 89.1 | 117.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 907 | S | 23.6 | Very low | 23.7 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | cis | 76.9 | 100.7 | 27.9 | -57.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 908 | G | 21.9 | Very low | 23.3 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | trans | 104.7 | 150.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 909 | G | 22 | Very low | 23.1 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 92% | 0.918 | 85% | 0.845 | S | S | * | * | trans | 93.1 | 140.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 910 | G | 21.9 | Very low | 23.1 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -145.6 | 167.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 911 | G | 20.3 | Very low | 22.9 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | 176.2 | 139.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 912 | A | 21 | Very low | 23 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | trans | 60.4 | 153.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 913 | G | 23.5 | Very low | 23 | Very low | 59 Ų | 59 | 121.7 Ų | 121.7 | 61% | 0.608 | 85% | 0.846 | S | S | * | * | cis | 148 | 150.1 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 914 | T | 22.8 | Very low | 23 | Very low | 158 Ų | 158 | 122 Ų | 122 | 97% | 0.969 | 85% | 0.849 | S | S | * | * | trans | 68.4 | 148.2 | -178.6 | 74.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 915 | G | 25.3 | Very low | 22.9 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 78% | 0.784 | 86% | 0.857 | S | S | * | * | cis | -164.7 | 143.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 916 | N | 30.9 | Very low | 22.9 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | trans | -160.5 | 152.6 | 175.6 | -162.4 | 5.8 | 0 | 0 | 0 | 109.5 | ||||
| 917 | M | 25.7 | Very low | 22.6 | Very low | 175 Ų | 175 | 117.7 Ų | 117.7 | 86% | 0.862 | 85% | 0.852 | S | S | * | * | S | Bend | trans | 64.8 | 127.3 | -176 | -79.5 | 179.4 | 164 | 0 | 0 | 118.8 | ||
| 918 | E | 22 | Very low | 22.6 | Very low | 199 Ų | 199 | 117.7 Ų | 117.7 | 93% | 0.93 | 85% | 0.847 | S | S | * | * | trans | 54.5 | 149.7 | 167.9 | -74.5 | -165.5 | 137 | 0 | 0 | 122.2 | ||||
| 919 | C | 20.3 | Very low | 22.6 | Very low | 141 Ų | 141 | 119 Ų | 119 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | -103.4 | 121.8 | 178.5 | -65.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 920 | G | 22 | Very low | 22.6 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | -153 | 160.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 921 | L | 20.6 | Very low | 22.7 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -109.7 | 163.3 | -170.4 | -107.9 | 78.5 | 0 | 0 | 0 | 113.8 | ||||
| 922 | L | 24 | Very low | 22.7 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | 82.9 | 168.5 | 147.3 | -80.8 | 162.7 | 0 | 0 | 0 | 121.2 | ||||
| 923 | L | 22.1 | Very low | 23.1 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -93.5 | 151.7 | -167.4 | -60.9 | 143.2 | 0 | 0 | 0 | 111.5 | ||||
| 924 | G | 22.2 | Very low | 23 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 171.9 | 163.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 925 | G | 21.6 | Very low | 23.1 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -158.8 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 926 | G | 22.9 | Very low | 22.9 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 123.9 | 133 | -170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 927 | C | 19.2 | Very low | 22.5 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | 89.3 | 134.9 | 31.9 | -63.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 928 | T | 22.4 | Very low | 22.2 | Very low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 71 | 122.9 | 175.9 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 929 | S | 22.9 | Very low | 22.1 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | 86.9 | 149.3 | 76.9 | 94.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 930 | A | 22.2 | Very low | 22.1 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | cis | -167 | 166.2 | 0.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 931 | I | 22.4 | Very low | 22 | Very low | 148 Ų | 148 | 122 Ų | 122 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 77.6 | 119.8 | 138.7 | -71.9 | 167.5 | 0 | 0 | 0 | 122.4 | ||||
| 932 | N | 21.9 | Very low | 22.1 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 52.7 | 155 | 143.3 | -57.6 | -2 | 0 | 0 | 0 | 121.4 | ||||
| 933 | T | 28.1 | Very low | 22.1 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | -130.1 | 134.6 | 17.3 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 934 | T | 22.2 | Very low | 22 | Very low | 111 Ų | 111 | 119 Ų | 119 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | 48.1 | 133.7 | 80.2 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 935 | V | 23.6 | Very low | 22 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | -142.4 | 138.9 | 30.9 | -169.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 936 | N | 22.2 | Very low | 21.9 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 34.9 | 148.3 | 94.2 | -84 | -3.1 | 0 | 0 | 0 | 115.9 | |||||
| 937 | A | 22.1 | Very low | 21.8 | Very low | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -162.3 | 164.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 938 | S | 19.4 | Very low | 22 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 22.5 | 137.2 | 141.9 | -49.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 939 | L | 19.6 | Very low | 21.9 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | 90.2 | 138.3 | 134.1 | -116 | 78.3 | 0 | 0 | 0 | 122 | ||||
| 940 | S | 20 | Very low | 21.8 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | trans | 69.6 | 110.7 | 140 | 59 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 941 | Q | 21.4 | Very low | 21.8 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | 80.7 | 128.1 | 121.6 | -68.6 | 179.7 | 4 | 0 | 0 | 120.9 | |||||
| 942 | L | 22.1 | Very low | 21.7 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | 50.1 | 134.2 | 128.8 | -69.9 | 161.9 | 0 | 0 | 0 | 119.2 | |||||
| 943 | P | 23.5 | Very low | 21.8 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | -142.7 | 165.2 | 63.6 | 38 | -20.7 | 0 | 0 | 0 | 117.9 | |||||
| 944 | H | 19.7 | Very low | 21.4 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 142.6 | 161.6 | -67.4 | -76.4 | 0 | 0 | 0 | 111.3 | ||||
| 945 | Y | 21.8 | Very low | 21.4 | Very low | 242 Ų | 242 | 131.3 Ų | 131.3 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | trans | -173.5 | 162.7 | 141.4 | -94.7 | -68.2 | 0 | 0 | 0 | 106.4 | ||||
| 946 | G | 20.5 | Very low | 21.3 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | -178.1 | 149.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 947 | R | 20.4 | Very low | 21.2 | Very low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -103.2 | 133.3 | -168.7 | -178.4 | -168.1 | -170.9 | -169.2 | 7.2 | 112.9 | ||||
| 948 | P | 23.3 | Very low | 21.2 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -104.9 | 168.5 | 163.8 | 36 | -28.3 | 0 | 0 | 0 | 113.6 | ||||
| 949 | V | 20.1 | Very low | 21.2 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | -152.5 | 166.9 | -172.5 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 950 | L | 21.3 | Very low | 21.3 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 79.8 | 154.7 | 171.1 | -47.6 | 173.1 | 0 | 0 | 0 | 114.6 | ||||
| 951 | T | 21.4 | Very low | 21.3 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -152.9 | 179.8 | 4.3 | -13.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 952 | S | 21.2 | Very low | 21.4 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -95.6 | 154.3 | -177.2 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 953 | A | 23.2 | Very low | 21.9 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -157.2 | 175.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 954 | S | 20.9 | Very low | 21.7 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -158.6 | 156.3 | -150.2 | 55.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 955 | G | 21.6 | Very low | 21.8 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 103 | 170.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 956 | T | 21.8 | Very low | 21.8 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | cis | 179 | 160.8 | -8.5 | 20.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 957 | R | 19.7 | Very low | 21.8 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | cis | -173.9 | 157.4 | -10.1 | 177.1 | -179.1 | -176.4 | -153.3 | 1.5 | 109.3 | ||||
| 958 | S | 21.8 | Very low | 21.9 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 63.6 | 159.2 | 167.2 | 53.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 959 | G | 19.6 | Very low | 21.9 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 134.3 | 110.6 | -15.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 960 | T | 22 | Very low | 21.9 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 96% | 0.963 | 81% | 0.812 | S | S | * | * | trans | -156.2 | 171.3 | 171.9 | 32.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 961 | S | 19.4 | Very low | 22.1 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -134.1 | 154 | -165.4 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 962 | Y | 24.6 | Very low | 22 | Very low | 235 Ų | 235 | 131 Ų | 131 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | trans | -164.3 | 173.4 | 161.4 | -97 | -47.9 | 0 | 0 | 0 | 112.4 | ||||
| 963 | P | 31.5 | Very low | 21.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -134.2 | -154.5 | -138.1 | 44.2 | -22.8 | 0 | 0 | 0 | 116.7 | ||||
| 964 | D | 19.8 | Very low | 21.7 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 158.5 | -163.2 | -59 | -85.2 | 0 | 0 | 0 | 120.5 | ||||
| 965 | S | 21.5 | Very low | 21.8 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 142.5 | 144.2 | 74 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 966 | G | 22.3 | Very low | 21.7 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 161.1 | 64.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 967 | T | 20.9 | Very low | 21.8 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 10.6 | 128.6 | 145.4 | -48.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 968 | L | 22.3 | Very low | 21.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 36.1 | 144.8 | 146.6 | -63.9 | 166.4 | 0 | 0 | 0 | 123.4 | ||||
| 969 | P | 22.9 | Very low | 22 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -145.9 | 169.7 | 114.7 | 37.7 | -22.8 | 0 | 0 | 0 | 117.8 | |||||
| 970 | H | 20.6 | Very low | 22.1 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 157.7 | 173.2 | -84.3 | -83.2 | 0 | 0 | 0 | 113.2 | ||||
| 971 | P | 24.5 | Very low | 22.2 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -137.2 | 152.7 | 94.8 | 12.7 | 11.3 | 0 | 0 | 0 | 114.2 | |||||
| 972 | L | 21 | Very low | 22.2 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | 59.9 | 137.4 | 78.6 | -51.7 | 173.4 | 0 | 0 | 0 | 114.7 | |||||
| 973 | M | 18 | Very low | 22.2 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | cis | -167.4 | -179 | -6.4 | -118.6 | -65.5 | 168.6 | 0 | 0 | 110.8 | ||||
| 974 | C | 20.2 | Very low | 21.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 72% | 0.716 | 80% | 0.797 | S | S | * | * | trans | 73.9 | 142.2 | 164.4 | -61.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 975 | T | 22 | Very low | 21.9 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | cis | -159.7 | 162 | -32.6 | -1.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 976 | E | 19.7 | Very low | 22 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 171.3 | -177.2 | -47.6 | -177 | 135.6 | 0 | 0 | 113.9 | ||||
| 977 | P | 23.9 | Very low | 22 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -143.2 | 129.6 | 84.8 | 35.9 | -18.9 | 0 | 0 | 0 | 117.2 | |||||
| 978 | G | 21.5 | Very low | 22.2 | Very low | 62 Ų | 62 | 143.7 Ų | 143.7 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 48.1 | 108.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 979 | S | 23.9 | Very low | 22.2 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | -178 | 134.2 | 89.6 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 980 | N | 22.4 | Very low | 22.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 39.8 | 116.6 | 156.4 | -70.7 | -13 | 0 | 0 | 0 | 122.8 | ||||
| 981 | Q | 23.1 | Very low | 22.4 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 87.7 | 106.5 | 142.3 | -62.9 | 179 | 8.2 | 0 | 0 | 119.4 | ||||
| 982 | R | 20 | Very low | 22.2 | Very low | 232 Ų | 232 | 144.2 Ų | 144.2 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 165.9 | 164.4 | -80.8 | 178.4 | -179.3 | 178.1 | 0.8 | 111.9 | ||||
| 983 | P | 23.6 | Very low | 22 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -126.4 | 168.6 | 21.9 | 40.5 | -25.9 | 0 | 0 | 0 | 117.5 | ||||
| 984 | N | 22.1 | Very low | 22.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -66.5 | 144.5 | -178.1 | -52.4 | -17.2 | 0 | 0 | 0 | 112.9 | ||||
| 985 | I | 24.4 | Very low | 22.3 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | -150.3 | 144.9 | 112.9 | -97.2 | 151.6 | 0 | 0 | 0 | 107.6 | L987 | I985-L987 PolarHBondContact O-N 2.76Š| |||
| 986 | S | 22 | Very low | 22.2 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -83 | 104.1 | -167.6 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | N988 | S986-N988 PolarHBondContact O-N 3.14Š| ||
| 987 | L | 23.9 | Very low | 22.3 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -77 | 107.3 | 156.8 | -77.8 | 95.2 | 0 | 0 | 0 | 109.4 | I985 | I985-L987 PolarHBondContact O-N 2.76Š| ||
| 988 | N | 24.5 | Very low | 22.2 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -140.6 | 66.1 | 153.9 | -131.7 | -0.9 | 0 | 0 | 0 | 107.9 | S986 | S986-N988 PolarHBondContact O-N 3.14Š| ||
| 989 | D | 22.9 | Very low | 22.2 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -81.8 | 171.2 | -177.7 | -151.6 | -25.8 | 0 | 0 | 0 | 110.8 | ||||
| 990 | T | 24.7 | Very low | 22.2 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 67.5 | 73.1 | 169.4 | 66.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 991 | K | 22.8 | Very low | 22 | Very low | 203 Ų | 203 | 157 Ų | 157 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -148.8 | 112.3 | 139.6 | -122.8 | 176.4 | -172.8 | 179.1 | 0 | 114.6 | ||||
| 992 | C | 19.9 | Very low | 22 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | 15.1 | 117.3 | 155.6 | -48.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 993 | W | 16.9 | Very low | 22.2 | Very low | 240 Ų | 240 | 151 Ų | 151 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | 173.5 | 148.6 | 116.7 | -91.3 | 0.4 | 0 | 0 | 0 | 112.7 | |||||
| 994 | W | 20.6 | Very low | 22.2 | Very low | 251 Ų | 251 | 153.5 Ų | 153.5 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -138.4 | 129.7 | 143.6 | -96.1 | 94.6 | 0 | 0 | 0 | 107.6 | ||||
| 995 | P | 23.2 | Very low | 22.3 | Very low | 98 Ų | 98 | 152.8 Ų | 152.8 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 164 | -174.3 | 33.9 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 996 | I | 20.5 | Very low | 22.1 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 132.6 | 165.9 | -64.1 | 161.5 | 0 | 0 | 0 | 108.5 | ||||
| 997 | T | 22.3 | Very low | 22.2 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 154.2 | 147.8 | 156.8 | 32.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 998 | D | 22.1 | Very low | 22.1 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -152.9 | -174.2 | -29.9 | -143.4 | -55 | 0 | 0 | 0 | 108.7 | ||||
| 999 | N | 21.3 | Very low | 22 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -58 | 170.1 | -176.4 | -76.9 | -88.1 | 0 | 0 | 0 | 116.7 | ||||
| 1000 | A | 22.4 | Very low | 22 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 116.8 | 114.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1001 | Y | 19.3 | Very low | 21.8 | Very low | 205 Ų | 205 | 154.2 Ų | 154.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 162.3 | 161.5 | -103.2 | -107.5 | 0 | 0 | 0 | 113.3 | ||||
| 1002 | Y | 22.4 | Very low | 21.7 | Very low | 225 Ų | 225 | 150.8 Ų | 150.8 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | 73.9 | 141.3 | 158.6 | -79.9 | -68 | 0 | 0 | 0 | 120.8 | ||||
| 1003 | G | 24.9 | Very low | 21.7 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 102.5 | 80.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1004 | Q | 23 | Very low | 22 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | 70.7 | 121.2 | 60.8 | -137.1 | -167.8 | -1.2 | 0 | 0 | 114.8 | |||||
| 1005 | N | 23.8 | Very low | 22.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | trans | 77.4 | 108.5 | 165.6 | -59.5 | -7.9 | 0 | 0 | 0 | 121.3 | ||||
| 1006 | D | 21.8 | Very low | 22.1 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 74.7 | 147 | 130 | -69.9 | -39.5 | 0 | 0 | 0 | 125 | |||||
| 1007 | A | 23.4 | Very low | 22.1 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | 71.6 | 98.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1008 | Q | 22 | Very low | 22.1 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | 64.9 | 94.9 | 128.8 | -63.9 | -177.9 | -8.2 | 0 | 0 | 119.5 | |||||
| 1009 | A | 21.9 | Very low | 22.1 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -49.6 | 148.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1010 | K | 22.5 | Very low | 22.5 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -168.7 | 162.3 | 130.8 | -111.2 | 171.6 | -175.6 | -179.4 | 0 | 113.8 | ||||
| 1011 | L | 20.9 | Very low | 22.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 71.5 | 115.7 | 174.4 | -59.8 | 127.9 | 0 | 0 | 0 | 114.6 | ||||
| 1012 | L | 21.4 | Very low | 22.4 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | 74.3 | 108 | 58.6 | -65.3 | 164.1 | 0 | 0 | 0 | 111 | |||||
| 1013 | Q | 20.1 | Very low | 22.3 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 89.2 | 155.5 | 65 | -85.2 | -167.5 | -4.3 | 0 | 0 | 113.5 | |||||
| 1014 | S | 22.6 | Very low | 22 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 73.1 | 126.8 | -165.1 | 83.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1015 | A | 22 | Very low | 22 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | cis | 80.7 | 111.8 | 22.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1016 | G | 23 | Very low | 21.9 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -173.7 | 145.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1017 | A | 21.8 | Very low | 22 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -143 | 152.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1018 | G | 21 | Very low | 21.9 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 89.5 | 148.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1019 | G | 21.9 | Very low | 22 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 134.5 | 109.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1020 | P | 31 | Very low | 22 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -107.2 | 174.1 | 172.3 | 40.8 | -33.5 | 0 | 0 | 0 | 112.5 | ||||
| 1021 | I | 19.6 | Very low | 21.9 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 80 | 137.4 | 166.7 | -58.1 | 170.2 | 0 | 0 | 0 | 115.9 | ||||
| 1022 | D | 19.3 | Very low | 22 | Very low | 156 Ų | 156 | 120.7 Ų | 120.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 40.5 | 106.6 | 163.9 | -59 | -14.8 | 0 | 0 | 0 | 121.4 | ||||
| 1023 | G | 19.8 | Very low | 22 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | 111.9 | 151.5 | 97.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1024 | F | 20 | Very low | 22.1 | Very low | 216 Ų | 216 | 119.2 Ų | 119.2 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | trans | 74.8 | 146.8 | 159.2 | -70.6 | -83.7 | 0 | 0 | 0 | 122.1 | ||||
| 1025 | A | 21.8 | Very low | 22.1 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | trans | 70.8 | 81.5 | 154 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1026 | N | 21.9 | Very low | 22.2 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | -83.7 | 118.5 | 122.2 | -108.6 | -6.3 | 0 | 0 | 0 | 107.6 | |||||
| 1027 | P | 25 | Very low | 22.2 | Very low | 91 Ų | 91 | 124 Ų | 124 | 59% | 0.591 | 77% | 0.772 | S | S | * | * | trans | -111.9 | 158.6 | -178.4 | 40 | -32.3 | 0 | 0 | 0 | 113.7 | ||||
| 1028 | L | 21.6 | Very low | 22.5 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | 69.9 | 129.5 | 158.4 | -61.4 | 157.5 | 0 | 0 | 0 | 117.9 | ||||
| 1029 | T | 22.1 | Very low | 22.5 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | cis | -162.2 | 161.6 | -15.7 | -5.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1030 | D | 22.4 | Very low | 22.4 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | 75.2 | 105.2 | 148.1 | -67 | -15 | 0 | 0 | 0 | 124.6 | ||||
| 1031 | I | 21 | Very low | 21.9 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | 73.2 | 108.9 | 121.9 | -59.4 | 163.7 | 0 | 0 | 0 | 119.7 | |||||
| 1032 | G | 22.6 | Very low | 22 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | 106.2 | 138.3 | 126.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1033 | D | 22.2 | Very low | 22 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | cis | -161.5 | 157.9 | -18.4 | -139 | -5.7 | 0 | 0 | 0 | 113.7 | ||||
| 1034 | L | 22.6 | Very low | 22 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 57.6 | 117.7 | 153.1 | -68.3 | 165.2 | 0 | 0 | 0 | 123.7 | ||||
| 1035 | N | 21.9 | Very low | 22 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 90.6 | 119.9 | 131.6 | -64 | -21.6 | 0 | 0 | 0 | 122.1 | ||||
| 1036 | G | 23.6 | Very low | 21.9 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 175.6 | 35.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1037 | H | 22.5 | Very low | 21.9 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -66.7 | 164.2 | 176.5 | -81.9 | -57.3 | 0 | 0 | 0 | 114 | ||||
| 1038 | P | 28.4 | Very low | 21.8 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -149.1 | -178.2 | -23.5 | 39.3 | -19.2 | 0 | 0 | 0 | 117.4 | ||||
| 1039 | Y | 20.7 | Very low | 21.7 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 79.7 | 139.8 | 136.8 | -91.2 | -53.3 | 0 | 0 | 0 | 125.8 | ||||
| 1040 | V | 21.2 | Very low | 21.6 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | 90.5 | 135.5 | 148.3 | 169.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1041 | H | 19.8 | Very low | 21.5 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -75.8 | 155.1 | 176.9 | -70.6 | -107.5 | 0 | 0 | 0 | 113.6 | ||||
| 1042 | G | 21.1 | Very low | 21.5 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -161.8 | 147 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1043 | H | 20.8 | Very low | 21.6 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -102.6 | 157.3 | -176.8 | -79.6 | -108.9 | 0 | 0 | 0 | 113.3 | ||||
| 1044 | S | 19.7 | Very low | 21.4 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 82.2 | 116.4 | 143.8 | -150.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1045 | M | 19 | Very low | 21.3 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 63.2 | 129.3 | 135.6 | -71.1 | -169.3 | 177.6 | 0 | 0 | 124.1 | ||||
| 1046 | M | 20.7 | Very low | 21.3 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 80% | 0.803 | 80% | 0.802 | S | S | * | * | trans | 66.4 | 101.8 | 141.3 | -62.3 | -170 | 84 | 0 | 0 | 121.5 | ||||
| 1047 | S | 20.8 | Very low | 21.2 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | 25.9 | 131.1 | 129.2 | 62.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1048 | P | 23.2 | Very low | 21.1 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -121.8 | 148.7 | 137.4 | 36.8 | -29.1 | 0 | 0 | 0 | 113.3 | ||||
| 1049 | S | 18.7 | Very low | 20.8 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -87.8 | 143.7 | 179.6 | -37.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1050 | C | 20.1 | Very low | 20.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -168.6 | 126.5 | 154.6 | -108.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1051 | N | 20.6 | Very low | 20.6 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 76.3 | 153.3 | 130.5 | -82.6 | -35 | 0 | 0 | 0 | 125.2 | ||||
| 1052 | L | 21.9 | Very low | 20.6 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 148.9 | 170.3 | -86.9 | 66.2 | 0 | 0 | 0 | 116.5 | ||||
| 1053 | M | 23.7 | Very low | 20.6 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | cis | -147.3 | 146.9 | 8.9 | -143.9 | -177.4 | -55.1 | 0 | 0 | 112.1 | ||||
| 1054 | F | 19.5 | Very low | 20.7 | Very low | 207 Ų | 207 | 132.8 Ų | 132.8 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -149.1 | 105.2 | 173.7 | -119.9 | -70.7 | 0 | 0 | 0 | 111.3 | ||||
| 1055 | S | 19.1 | Very low | 20.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -177.6 | 121.9 | 160.7 | -89.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1056 | A | 21.9 | Very low | 20.7 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -154.7 | 106.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1057 | H | 21.6 | Very low | 20.8 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | 17.5 | 129.1 | 154 | -70.1 | -41.7 | 0 | 0 | 0 | 126.7 | ||||
| 1058 | K | 21.1 | Very low | 20.8 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | 77 | 137.7 | 122.1 | -67.4 | 173.2 | 179.6 | 173.1 | 0 | 123.3 | |||||
| 1059 | G | 20.8 | Very low | 20.7 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 100.1 | 120.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1060 | T | 18.2 | Very low | 20.8 | Very low | 149 Ų | 149 | 131 Ų | 131 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | cis | 95.4 | 76.5 | 28.7 | 70.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1061 | S | 20.7 | Very low | 20.8 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -168 | 136.9 | 152.7 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1062 | T | 19.8 | Very low | 20.9 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | cis | 77.4 | 128.7 | 47.5 | 52.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1063 | G | 21.9 | Very low | 21 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 106.7 | 157 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1064 | V | 21.3 | Very low | 20.9 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | -178.8 | 144 | -57.3 | 143.5 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 1065 | A | 20.7 | Very low | 21.2 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 61.5 | 163.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1066 | S | 18.9 | Very low | 21.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -106.7 | 128.4 | 177.3 | -56 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1067 | S | 22.5 | Very low | 21.5 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -157.6 | 125.6 | 155.4 | 55 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1068 | T | 20.5 | Very low | 21.7 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 125.4 | 178.1 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1069 | I | 21.5 | Very low | 21.8 | Very low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -153.6 | 140.8 | 147.4 | -101.6 | 150.6 | 0 | 0 | 0 | 106.6 | ||||
| 1070 | A | 20 | Very low | 21.9 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 130.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1071 | T | 21.4 | Very low | 22.1 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -136.7 | 101.1 | 163.6 | 50 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1072 | T | 22.1 | Very low | 22.2 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | 41.5 | 101 | 137.3 | 58.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1073 | T | 23.2 | Very low | 22.4 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -106.8 | 116 | 134.1 | 48 | 0 | 0 | 0 | 0 | 107.5 | E1075 | T1073-E1075 PolarHBondContact O-N 3.35Š| ||
| 1074 | S | 23.3 | Very low | 22.5 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -82.4 | 109.7 | -178 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1075 | E | 24.5 | Very low | 22.8 | Very low | 170 Ų | 170 | 122 Ų | 122 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -104.6 | 143.4 | 154.9 | -69.4 | -170.3 | 157.2 | 0 | 0 | 108.8 | T1073 H1077 | T1073-E1075 PolarHBondContact O-N 3.35Å; E1075-H1077 PolarHBondContact O-N 3.42Å | ||
| 1076 | S | 23.4 | Very low | 23.1 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -81.4 | 76 | -163.6 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | L1078 | S1076-L1078 PolarHBondContact O-N 2.72Å; S1076-L1078 VanDerWaalsContact O-N 3.11Å | ||
| 1077 | H | 25.3 | Very low | 23.4 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | -64.8 | 108.9 | 162.8 | -72.8 | -77.9 | 0 | 0 | 0 | 109.5 | E1075 V1079 | E1075-H1077 PolarHBondContact O-N 3.42Å; H1077-V1079 PolarHBondContact O-N 2.85Å; H1077-V1079 VanDerWaalsContact O-N 3.09Å | ||
| 1078 | L | 24.1 | Very low | 23.4 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -57 | 111.5 | 163.2 | -74.3 | 164 | 0 | 0 | 0 | 107.8 | S1076 S1080 | S1076-L1078 PolarHBondContact O-N 2.72Å; S1076-L1078 VanDerWaalsContact O-N 3.11Å; L1078-S1080 PolarHBondContact O-N 3.01Å; L1078-S1080 VanDerWaalsContact O-N 3.13Å | ||
| 1079 | V | 23.1 | Very low | 23.5 | Very low | 138 Ų | 138 | 120 Ų | 120 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -71.1 | 107.8 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | H1077 A1081 | H1077-V1079 PolarHBondContact O-N 2.85Å; H1077-V1079 VanDerWaalsContact O-N 3.09Å; V1079-A1081 PolarHBondContact O-N 2.72Å | ||
| 1080 | S | 23.1 | Very low | 23.6 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | -56.2 | 111 | 175.7 | -51.9 | 0 | 0 | 0 | 0 | 109.6 | L1078 | L1078-S1080 PolarHBondContact O-N 3.01Å; L1078-S1080 VanDerWaalsContact O-N 3.13Å | ||
| 1081 | A | 21.9 | Very low | 23.7 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | V1079 | V1079-A1081 PolarHBondContact O-N 2.72Š|
| 1082 | P | 23.2 | Very low | 23.8 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.7 | 175 | 26.6 | -33 | 0 | 0 | 0 | 109.4 | ||
| 1083 | P | 24.3 | Very low | 23.8 | Very low | 48 Ų | 48 | 128.3 Ų | 128.3 | 31% | 0.312 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 159.5 | -178.6 | 28.3 | -35.8 | 0 | 0 | 0 | 111.8 | T1085 Y1236 E1238 | P1083-T1085 PolarHBondContact O-N 3.14Å; P1083-T1085 VanDerWaalsContact O-N 3.07Å; P1083-Y1236 WeakPolarHBondContact CG-OH 3.44Å; P1083-E1238 WeakPolarHBondContact CB-O 3.48Å; P1083-E1238 WeakPolarHBondContact CG-O 3.45Å |
| 1084 | P | 25.2 | Very low | 23.6 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | trans | -63.8 | 111.4 | 179.6 | 26.3 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 1085 | T | 26.8 | Very low | 23.5 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.1 | 169.8 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | P1083 L1087 | P1083-T1085 PolarHBondContact O-N 3.14Å; P1083-T1085 VanDerWaalsContact O-N 3.07Å; T1085-L1087 PolarHBondContact O-N 3.32Å |
| 1086 | P | 27 | Very low | 23.4 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 48% | 0.481 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 133.3 | 174.8 | -28.3 | 36.4 | 0 | 0 | 0 | 112.4 | L1161 | P1086-L1161 WeakPolarHBondContact CD-O 3.28Å; P1086-L1161 WeakPolarHBondContact CG-O 3.49Å |
| 1087 | L | 24.7 | Very low | 23.4 | Very low | 121 Ų | 121 | 123 Ų | 123 | 63% | 0.634 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -70.6 | 160.4 | 171.2 | -76 | 82.6 | 0 | 0 | 0 | 110 | V76 T1085 | V76-L1087 HydrophobicContact CG1-CD2 4.2Å; V76-L1087 HydrophobicContact CG2-CD2 4.04Å; T1085-L1087 PolarHBondContact O-N 3.32Å |
| 1088 | D | 22.4 | Very low | 23.2 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 63.2 | 61.6 | 176.4 | -62.8 | -15.6 | 0 | 0 | 0 | 117.1 | ||
| 1089 | S | 24.2 | Very low | 23.1 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -143.6 | 25.4 | 149.5 | -78.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1090 | R | 22.6 | Very low | 23 | Very low | 245 Ų | 245 | 118 Ų | 118 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -132.2 | 55 | 177.9 | -72.1 | -168.2 | 177.1 | -170.9 | 1.1 | 113.5 | ||||
| 1091 | S | 21.9 | Very low | 22.9 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -98.4 | -6.9 | 172.7 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1092 | H | 22.8 | Very low | 22.9 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 56% | 0.556 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -133.6 | 69.1 | -178.2 | -68.2 | -84.1 | 0 | 0 | 0 | 113 | ||
| 1093 | F | 22.7 | Very low | 22.8 | Very low | 208 Ų | 208 | 120.4 Ų | 120.4 | 91% | 0.912 | 73% | 0.729 | S | S | * | * | trans | -157.9 | 70.4 | 154.6 | -106.8 | -64.3 | 0 | 0 | 0 | 111.3 | ||||
| 1094 | S | 20.3 | Very low | 22.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -93.6 | 107.8 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1095 | G | 20.9 | Very low | 22.6 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 131.6 | 66 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1096 | V | 22.5 | Very low | 22.3 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -128.7 | 131.2 | 140.6 | -173.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1097 | S | 21.8 | Very low | 22 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -89.5 | 159.3 | -166.3 | -157 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1098 | S | 22.9 | Very low | 21.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -12.9 | 133.5 | 161.4 | 58.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1099 | G | 21.2 | Very low | 21.9 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -174.9 | 67.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S1101 | G1099-S1101 PolarHBondContact O-N 3.33Š| ||
| 1100 | N | 20.2 | Very low | 21.8 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 95.3 | 161.2 | -93.4 | -7 | 0 | 0 | 0 | 109.3 | ||||
| 1101 | S | 22.5 | Very low | 21.8 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -125.6 | 70.3 | -179.8 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | G1099 S1103 | G1099-S1101 PolarHBondContact O-N 3.33Å; S1101-S1103 PolarHBondContact O-N 2.68Å; S1101-S1103 VanDerWaalsContact O-N 3.12Å | ||
| 1102 | T | 21 | Very low | 21.8 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 82.2 | 165.8 | 35.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1103 | S | 21.5 | Very low | 21.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -167.3 | 163.2 | 153.4 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | S1101 | S1101-S1103 PolarHBondContact O-N 2.68Å; S1101-S1103 VanDerWaalsContact O-N 3.12Å | ||
| 1104 | L | 21.9 | Very low | 21.7 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | trans | 63.9 | 55.3 | 160.9 | -53.1 | -172.5 | 0 | 0 | 0 | 119.3 | ||||
| 1105 | Y | 23.4 | Very low | 21.7 | Very low | 246 Ų | 246 | 128.6 Ų | 128.6 | 97% | 0.965 | 79% | 0.788 | S | S | * | * | -122.8 | 111.8 | 115 | -100.6 | -82.1 | 0 | 0 | 0 | 109.2 | |||||
| 1106 | S | 19.9 | Very low | 21.8 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | -136.2 | 117.6 | -172.6 | -74.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1107 | R | 20.8 | Very low | 21.6 | Very low | 241 Ų | 241 | 131.2 Ų | 131.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 66 | 138.6 | 174.6 | -44.2 | 175.7 | 179.6 | -178.6 | -0.6 | 112.6 | ||||
| 1108 | S | 22.3 | Very low | 21.8 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -153.1 | 150.6 | 23.1 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1109 | L | 23.1 | Very low | 22 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -165.5 | 57.2 | 138.2 | -107.7 | 170.3 | 0 | 0 | 0 | 111.4 | ||||
| 1110 | L | 21.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -110.6 | 78.2 | 162 | -90.3 | 173.3 | 0 | 0 | 0 | 108.9 | ||||
| 1111 | S | 22.7 | Very low | 22.6 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -173.8 | 131.1 | 162 | -81.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1112 | G | 22.7 | Very low | 22.5 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 126.6 | 58.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1113 | A | 22.1 | Very low | 22.5 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | 53.1 | 81.9 | 82.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1114 | S | 20 | Very low | 22.6 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 57.5 | 102.4 | 81.3 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1115 | N | 20.6 | Very low | 22.5 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 148.7 | 168.7 | 147.2 | -76 | -20.6 | 0 | 0 | 0 | 110.7 | ||||
| 1116 | F | 22.9 | Very low | 22.4 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | 62.3 | 91.7 | -173.9 | -48.3 | -74.9 | 0 | 0 | 0 | 113.5 | ||||
| 1117 | G | 19.5 | Very low | 22.6 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 79.9 | 98.9 | 7.6 | 0 | 0 | 0 | 0 | 0 | 112 | P1119 | G1117-P1119 VanDerWaalsContact O-CD 3.31Å; G1117-P1119 WeakPolarHBondContact O-CD 3.37Å | ||
| 1118 | S | 26.5 | Very low | 22.6 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -84.2 | 131.2 | -176.1 | -39.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1119 | P | 25.7 | Very low | 22.6 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -137.7 | 177.2 | 148.6 | 42.3 | -30.5 | 0 | 0 | 0 | 111.7 | G1117 | G1117-P1119 VanDerWaalsContact O-CD 3.31Å; G1117-P1119 WeakPolarHBondContact O-CD 3.37Å | ||
| 1120 | P | 32.5 | Very low | 22.4 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | -135 | -171.5 | -51.2 | 39.8 | -24.8 | 0 | 0 | 0 | 111.7 | |||||
| 1121 | N | 20.8 | Very low | 22.6 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 71.6 | 151.4 | 159.6 | -63.9 | -16.8 | 0 | 0 | 0 | 116.9 | ||||
| 1122 | Q | 22.3 | Very low | 22.4 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -153 | 148.7 | -0.5 | -126.4 | 158.7 | 30.3 | 0 | 0 | 112.9 | ||||
| 1123 | M | 19.8 | Very low | 22.5 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | 28.9 | 107.8 | 145.8 | -63.2 | 169.1 | -178 | 0 | 0 | 121.6 | ||||
| 1124 | A | 24.2 | Very low | 22.6 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | 176.8 | 125.1 | 119.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1125 | S | 19.9 | Very low | 22.7 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | 80.1 | 103.2 | 34.1 | 84.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1126 | N | 20.9 | Very low | 23 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 70.5 | 154 | 177.1 | -47.8 | -29.4 | 0 | 0 | 0 | 113.9 | ||||
| 1127 | V | 23.9 | Very low | 23 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | cis | -127.4 | 161.5 | 14.7 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1128 | N | 20.3 | Very low | 23.3 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -69.1 | 167.7 | 175.8 | -59.6 | -48 | 0 | 0 | 0 | 114.4 | ||||
| 1129 | S | 22.5 | Very low | 23.2 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 117.3 | 133.2 | 135.6 | -60.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1130 | M | 19.5 | Very low | 23.1 | Very low | 161 Ų | 161 | 145 Ų | 145 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 73.9 | 123.9 | 156.7 | -100.7 | 56.8 | -169 | 0 | 0 | 120.9 | ||||
| 1131 | N | 24.2 | Very low | 22.8 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 59.2 | 110.8 | 153.2 | -51.8 | -9.5 | 0 | 0 | 0 | 116 | ||||
| 1132 | Q | 20.4 | Very low | 23 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | cis | 57.4 | 77.7 | 24.8 | -149 | 179.9 | 23.1 | 0 | 0 | 113.2 | ||||
| 1133 | Y | 23.6 | Very low | 23.5 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -143.4 | 113 | 150.5 | -108.3 | -71.7 | 0 | 0 | 0 | 110.2 | ||||
| 1134 | D | 24 | Very low | 24.2 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 27.4 | 97.4 | 158.2 | -54.1 | -35 | 0 | 0 | 0 | 120.4 | ||||
| 1135 | Q | 23.6 | Very low | 24.7 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 95% | 0.949 | 74% | 0.744 | S | S | * | * | trans | -111.1 | 57.6 | 152.6 | -75.9 | -164.7 | -10.5 | 0 | 0 | 111.7 | ||||
| 1136 | S | 24.9 | Very low | 25.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -157.6 | 84.3 | 168.7 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1137 | N | 24.1 | Very low | 26.9 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 174.5 | 44.8 | 146.8 | -89.2 | -23.4 | 0 | 0 | 0 | 114.7 | ||
| 1138 | V | 24.7 | Very low | 29 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -136.7 | 70.3 | 162.8 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1139 | L | 24.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -126.4 | 51.5 | 171.5 | -108.4 | 171.4 | 0 | 0 | 0 | 111 | ||||
| 1140 | H | 24.9 | Very low | 34.1 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 83% | 0.833 | 66% | 0.661 | S | S | * | * | trans | -126.3 | 147.8 | 166.9 | -100.4 | -87.2 | 0 | 0 | 0 | 109.3 | ||||
| 1141 | S | 25.5 | Very low | 36.7 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | trans | 68.9 | 50.9 | 175.2 | 79.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1142 | I | 25.1 | Very low | 39.3 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | trans | -69.8 | 139.2 | 140.4 | -62 | 177.4 | 0 | 0 | 0 | 107.9 | ||||
| 1143 | S | 32.1 | Very low | 41.8 | Very low | 40 Ų | 40 | 117.1 Ų | 117.1 | 28% | 0.28 | 61% | 0.605 | S | S | . | * | trans | -68.7 | 124.5 | -174.7 | 9.6 | 0 | 0 | 0 | 0 | 111.9 | T1145 D1146 | S1143-T1145 PolarHBondContact O-N 2.73Å; S1143-T1145 VanDerWaalsContact O-N 3.15Å; S1143-D1146 VanDerWaalsContact CB-OD2 3.27Å; S1143-D1146 WeakPolarHBondContact CB-OD2 3.4Å; S1143-D1146 PolarHBondContact O-N 3.33Å; S1143-D1146 PolarHBondContact OG-OD2 2.82Å | ||
| 1144 | Q | 34.2 | Very low | 44.4 | Very low | 170 Ų | 170 | 110.5 Ų | 110.5 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -60.1 | -25.9 | -178.7 | -77.3 | 170 | -60.4 | 0 | 0 | 113.6 | D1146 R1147 | Q1144-D1146 VanDerWaalsContact C-N 3.25Å; Q1144-D1146 PolarHBondContact O-N 3.15Å; Q1144-R1147 PolarHBondContact O-N 3.46Å |
| 1145 | T | 35.6 | Very low | 47.2 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 63% | 0.632 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -58.9 | -34.7 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 113 | S1143 R1147 | S1143-T1145 PolarHBondContact O-N 2.73Å; S1143-T1145 VanDerWaalsContact O-N 3.15Å; T1145-R1147 PolarHBondContact O-N 2.89Å |
| 1146 | D | 39.6 | Very low | 50 | Low | 103 Ų | 103 | 100.8 Ų | 100.8 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -76.7 | -14.9 | 179.3 | -53.3 | -45.7 | 0 | 0 | 0 | 111.9 | S1143 Q1144 | S1143-D1146 VanDerWaalsContact CB-OD2 3.27Å; S1143-D1146 WeakPolarHBondContact CB-OD2 3.4Å; S1143-D1146 PolarHBondContact O-N 3.33Å; S1143-D1146 PolarHBondContact OG-OD2 2.82Å; Q1144-D1146 VanDerWaalsContact C-N 3.25Å; Q1144-D1146 PolarHBondContact O-N 3.15Å |
| 1147 | R | 47.5 | Very low | 52.8 | Low | 187 Ų | 187 | 100 Ų | 100 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -95.9 | -5.7 | -176.4 | -149.5 | 177.6 | -174.9 | 179.1 | -0.9 | 113.6 | Q1144 T1145 E1179 | Q1144-R1147 PolarHBondContact O-N 3.46Å; T1145-R1147 PolarHBondContact O-N 2.89Å; R1147-E1179 IonicContact CZ-OE1 2.72Å; R1147-E1179 IonicContact NH2-OE1 3.26Å; R1147-E1179 PolarHBondContact NH2-OE1 3.39Å |
| 1148 | M | 67.5 | Low | 55.1 | Low | 70 Ų | 70 | 96.2 Ų | 96.2 | 35% | 0.345 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -18.9 | -178.1 | -80.3 | -71.6 | 167.1 | 0 | 0 | 114.5 | Y1150 L1220 G1222 V1223 | M1148-Y1150 PolarHBondContact O-N 3.4Å; M1148-L1220 HydrophobicContact SD-CD2 4.04Å; M1148-L1220 HydrophobicContact SD-CG 4.2Å; M1148-G1222 CarbonylContact O-C 3.51Å; M1148-G1222 VanDerWaalsContact O-CA 3.3Å; M1148-G1222 WeakPolarHBondContact O-CA 3.35Å; M1148-V1223 HydrophobicContact CB-CG2 4.49Å; M1148-V1223 WeakPolarHBondContact O-CG2 3.42Å; M1148-V1223 PolarHBondContact O-N 2.87Å |
| 1149 | N | 69.9 | Low | 57.3 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 111.3 | 175.1 | -79.3 | -42.9 | 0 | 0 | 0 | 110.1 | V1223 | N1149-V1223 WeakPolarHBondContact CA-O 3.35Å |
| 1150 | Y | 81.5 | Confident | 59.5 | Low | 20 Ų | 20 | 87.4 Ų | 87.4 | 8% | 0.078 | 45% | 0.452 | C | S | . | . | trans | -99.8 | 126.5 | 179.2 | -170.6 | -93.9 | 0 | 0 | 0 | 110.7 | M1148 R1152 E1154 L1155 A1174 R1175 I1177 V1223 C1224 L1233 | M1148-Y1150 PolarHBondContact O-N 3.4Å; Y1150-R1152 PolarHBondContact O-N 3.32Å; Y1150-E1154 HydrophobicContact CE1-CB 3.94Å; Y1150-E1154 VanDerWaalsContact OH-CB 3.26Å; Y1150-E1154 WeakPolarHBondContact OH-CB 3.4Å; Y1150-E1154 PolarHBondContact OH-O 2.96Å; Y1150-L1155 HydrophobicContact CE1-CB 4.18Å; Y1150-A1174 HydrophobicContact CE1-CB 4.23Å; Y1150-A1174 HydrophobicContact CE2-CB 4.43Å; Y1150-R1175 WeakPolarHBondContact CE2-O 3.35Å; Y1150-R1175 PolarHBondContact OH-N 3.27Å; Y1150-R1175 PolarHBondContact OH-O 3.34Å; Y1150-I1177 HydrophobicContact CD2-CB 4.38Å; Y1150-I1177 HydrophobicContact CD2-CD1 3.83Å; Y1150-I1177 HydrophobicContact CD2-CG1 3.92Å; Y1150-I1177 HydrophobicContact CE2-CB 3.85Å; Y1150-I1177 HydrophobicContact CE2-CD1 3.97Å; Y1150-I1177 HydrophobicContact CE2-CG1 3.91Å; Y1150-I1177 HydrophobicContact CG-CD1 4.32Å; Y1150-V1223 PolarHBondContact N-O 3.06Å; Y1150-C1224 PolarHBondContact O-SG 2.95Å; Y1150-L1233 HydrophobicContact CD1-CD1 3.56Å; Y1150-L1233 HydrophobicContact CD2-CD1 4.39Å; Y1150-L1233 HydrophobicContact CE1-CD1 4.34Å; Y1150-L1233 HydrophobicContact CG-CD1 3.59Å | ||
| 1151 | P | 73.6 | Confident | 61.5 | Low | 39 Ų | 39 | 81 Ų | 81 | 25% | 0.253 | 42% | 0.423 | S | S | . | . | trans | -67 | 125.6 | -176.3 | 25.8 | -34.6 | 0 | 0 | 0 | 112.1 | C1153 E1154 | P1151-C1153 PolarHBondContact O-N 2.87Å; P1151-E1154 HydrophobicContact CB-CG 4.39Å; P1151-E1154 HydrophobicContact CG-CB 4.17Å; P1151-E1154 HydrophobicContact CG-CG 3.79Å; P1151-E1154 PolarHBondContact O-N 3.03Å | ||
| 1152 | R | 79.1 | Confident | 63.2 | Low | 53 Ų | 53 | 78.6 Ų | 78.6 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -57.6 | -28.1 | -175.5 | -179.6 | -178.6 | -77.7 | -91.2 | -4.5 | 113 | Y1150 E1154 E1226 Q1227 P1229 Y1231 | Y1150-R1152 PolarHBondContact O-N 3.32Å; R1152-E1154 VanDerWaalsContact C-N 3.28Å; R1152-E1154 PolarHBondContact O-N 2.95Å; R1152-E1226 WeakPolarHBondContact CB-OE2 3.5Å; R1152-E1226 PolarHBondContact N-OE2 3.04Å; R1152-Q1227 PolarHBondContact NH2-O 2.97Å; R1152-P1229 PolarHBondContact NH2-O 3.36Å; R1152-Y1231 PolarHBondContact NH1-OH 2.9Å |
| 1153 | C | 71.6 | Confident | 64.7 | Low | 105 Ų | 105 | 77.4 Ų | 77.4 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -78.7 | -1.8 | -179.5 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | P1151 R1175 | P1151-C1153 PolarHBondContact O-N 2.87Å; C1153-R1175 PolarHBondContact O-NH2 2.8Å |
| 1154 | E | 77.7 | Confident | 66 | Low | 58 Ų | 58 | 76 Ų | 76 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -105.1 | -3.6 | 175.8 | -59.1 | -134.6 | -133.5 | 0 | 0 | 113.6 | Y1150 P1151 R1152 R1175 | Y1150-E1154 HydrophobicContact CE1-CB 3.94Å; Y1150-E1154 VanDerWaalsContact OH-CB 3.26Å; Y1150-E1154 WeakPolarHBondContact OH-CB 3.4Å; Y1150-E1154 PolarHBondContact OH-O 2.96Å; P1151-E1154 HydrophobicContact CB-CG 4.39Å; P1151-E1154 HydrophobicContact CG-CB 4.17Å; P1151-E1154 HydrophobicContact CG-CG 3.79Å; P1151-E1154 PolarHBondContact O-N 3.03Å; R1152-E1154 VanDerWaalsContact C-N 3.28Å; R1152-E1154 PolarHBondContact O-N 2.95Å; E1154-R1175 HydrophobicContact CB-CB 4.46Å; E1154-R1175 PolarHBondContact O-N 3.37Å; E1154-R1175 IonicContact OE2-CZ 2.61Å; E1154-R1175 IonicContact OE2-NE 2.61Å; E1154-R1175 PolarHBondContact OE2-NE 3.24Å; E1154-R1175 IonicContact OE2-NH2 2.74Å; E1154-R1175 PolarHBondContact OE2-NH2 2.74Å |
| 1155 | L | 84.7 | Confident | 66.9 | Low | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.9 | 176.8 | -167.8 | 68.6 | 0 | 0 | 0 | 110.9 | Y1150 M1157 A1172 A1174 V1186 V1188 Y1231 L1233 | Y1150-L1155 HydrophobicContact CE1-CB 4.18Å; L1155-M1157 HydrophobicContact CD2-SD 4.5Å; L1155-A1172 HydrophobicContact CD1-CB 3.71Å; L1155-A1172 HydrophobicContact CG-CB 4.12Å; L1155-A1174 HydrophobicContact CD1-CB 4.16Å; L1155-V1186 HydrophobicContact CD1-CG2 3.88Å; L1155-V1188 HydrophobicContact CD1-CG2 4.08Å; L1155-V1188 HydrophobicContact CD2-CG1 4.18Å; L1155-V1188 HydrophobicContact CD2-CG2 4.08Å; L1155-Y1231 HydrophobicContact CD2-CD2 3.98Å; L1155-Y1231 HydrophobicContact CD2-CE2 4.29Å; L1155-L1233 HydrophobicContact CD1-CD2 4.01Å; L1155-L1233 HydrophobicContact CD2-CD2 4.01Å |
| 1156 | Q | 80.6 | Confident | 68.1 | Low | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.3 | 175.9 | 176.2 | 179.7 | -28.1 | 0 | 0 | 109.8 | E1158 A1172 R1173 | Q1156-E1158 PolarHBondContact NE2-OE1 2.85Å; Q1156-A1172 CarbonylContact O-C 3.56Å; Q1156-A1172 WeakPolarHBondContact O-CA 3.43Å; Q1156-A1172 VanDerWaalsContact O-CB 3.29Å; Q1156-A1172 WeakPolarHBondContact O-CB 3.35Å; Q1156-R1173 HydrophobicContact CB-CB 4.47Å; Q1156-R1173 PolarHBondContact N-O 2.68Å; Q1156-R1173 PolarHBondContact O-N 3.42Å |
| 1157 | M | 84.3 | Confident | 69.5 | Low | 73 Ų | 73 | 63 Ų | 63 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.7 | 176.1 | -60.6 | -60.7 | -151 | 0 | 0 | 111.2 | L1155 F1170 A1172 V1188 Y1231 | L1155-M1157 HydrophobicContact CD2-SD 4.5Å; M1157-F1170 HydrophobicContact CE-CB 4.11Å; M1157-F1170 HydrophobicContact CE-CD1 4.03Å; M1157-F1170 HydrophobicContact CE-CD2 3.54Å; M1157-F1170 HydrophobicContact CE-CE1 4.34Å; M1157-F1170 HydrophobicContact CE-CE2 3.9Å; M1157-F1170 HydrophobicContact CE-CG 3.62Å; M1157-F1170 HydrophobicContact CE-CZ 4.29Å; M1157-F1170 HydrophobicContact SD-CB 3.68Å; M1157-F1170 HydrophobicContact SD-CD1 4.22Å; M1157-F1170 HydrophobicContact SD-CD2 4.29Å; M1157-F1170 HydrophobicContact SD-CG 3.82Å; M1157-A1172 HydrophobicContact SD-CB 3.99Å; M1157-V1188 HydrophobicContact CE-CG1 4.11Å; M1157-V1188 HydrophobicContact SD-CG2 4.32Å; M1157-Y1231 HydrophobicContact CE-CE2 4.23Å |
| 1158 | E | 72.7 | Confident | 70.7 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -33.3 | 175 | -61.9 | -86.7 | 124 | 0 | 0 | 111.3 | Q1156 L1171 R1173 | Q1156-E1158 PolarHBondContact NE2-OE1 2.85Å; E1158-L1171 HydrophobicContact CB-CB 4.45Å; E1158-L1171 HydrophobicContact CB-CD2 4.46Å; E1158-L1171 HydrophobicContact CB-CG 4.36Å; E1158-L1171 PolarHBondContact N-O 2.87Å; E1158-R1173 HydrophobicContact CG-CG 4.13Å; E1158-R1173 WeakPolarHBondContact OE1-CD 3.43Å; E1158-R1173 IonicContact OE1-CZ 2.72Å; E1158-R1173 IonicContact OE1-NE 2.96Å; E1158-R1173 PolarHBondContact OE1-NE 2.67Å; E1158-R1173 IonicContact OE1-NH2 3.61Å; E1158-R1173 IonicContact OE2-CZ 2.75Å; E1158-R1173 IonicContact OE2-NE 3.43Å; E1158-R1173 PolarHBondContact OE2-NE 3.13Å; E1158-R1173 IonicContact OE2-NH2 3.55Å; E1158-R1173 PolarHBondContact OE2-NH2 3.4Å |
| 1159 | G | 71.7 | Confident | 71.3 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | 165.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1170 L1171 | G1159-F1170 CarbonylContact O-C 3.58Å; G1159-F1170 VanDerWaalsContact O-CA 3.23Å; G1159-F1170 WeakPolarHBondContact O-CA 3.41Å; G1159-L1171 PolarHBondContact N-O 2.88Å; G1159-L1171 PolarHBondContact O-N 2.85Å |
| 1160 | I | 70.4 | Confident | 71.8 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.2 | 172.5 | -62.4 | 169.1 | 0 | 0 | 0 | 109 | V1169 F1170 | I1160-V1169 WeakPolarHBondContact CA-O 3.41Å; I1160-F1170 HydrophobicContact CD1-CE1 4.27Å; I1160-F1170 HydrophobicContact CG1-CD1 3.65Å; I1160-F1170 HydrophobicContact CG1-CE1 3.6Å |
| 1161 | L | 66.3 | Low | 72.1 | Confident | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -32.3 | 172.8 | -69.2 | 174.8 | 0 | 0 | 0 | 112.1 | P1086 V1169 L1171 L1187 | P1086-L1161 WeakPolarHBondContact CD-O 3.28Å; P1086-L1161 WeakPolarHBondContact CG-O 3.49Å; L1161-V1169 PolarHBondContact N-O 3.41Å; L1161-L1171 HydrophobicContact CD1-CB 4.01Å; L1161-L1171 HydrophobicContact CD2-CB 4.13Å; L1161-L1171 HydrophobicContact CG-CB 3.98Å; L1161-L1187 HydrophobicContact CD1-CD1 3.91Å; L1161-L1187 HydrophobicContact CD1-CG 4.33Å |
| 1162 | G | 62 | Low | 72.8 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1169 | G1162-V1169 PolarHBondContact N-O 3.15Å; G1162-V1169 PolarHBondContact O-N 3.14Å |
| 1163 | K | 57.3 | Low | 73.1 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.3 | 172.9 | -61.1 | -148.5 | 166.7 | -145.9 | 0 | 110.1 | D1168 | K1163-D1168 WeakPolarHBondContact CD-OD1 3.24Å; K1163-D1168 VanDerWaalsContact CE-OD1 3.27Å; K1163-D1168 WeakPolarHBondContact CE-OD1 3.46Å; K1163-D1168 WeakPolarHBondContact CG-OD1 3.47Å; K1163-D1168 IonicContact NZ-OD1 2.85Å; K1163-D1168 PolarHBondContact NZ-OD1 2.84Å |
| 1164 | G | 57.7 | Low | 73.9 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 164.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1166 G1167 | G1164-F1166 PolarHBondContact O-N 3.41Å; G1164-G1167 WeakPolarHBondContact CA-O 3.33Å; G1164-G1167 PolarHBondContact N-O 2.7Å; G1164-G1167 PolarHBondContact O-N 3.23Å |
| 1165 | E | 53.7 | Low | 73.9 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -23.9 | -177.2 | -170.7 | 166.3 | 162.1 | 0 | 0 | 115.8 | R1313 | E1165-R1313 VanDerWaalsContact CD-NH1 3.26Å; E1165-R1313 IonicContact OE1-NH1 3.54Å; E1165-R1313 PolarHBondContact OE1-NH1 2.97Å; E1165-R1313 VanDerWaalsContact OE1-NH1 3.11Å; E1165-R1313 VanDerWaalsContact OE2-CD 3.24Å; E1165-R1313 WeakPolarHBondContact OE2-CD 3.29Å; E1165-R1313 IonicContact OE2-CZ 2.7Å; E1165-R1313 IonicContact OE2-NE 3.63Å; E1165-R1313 IonicContact OE2-NH1 2.67Å; E1165-R1313 PolarHBondContact OE2-NH1 3.09Å |
| 1166 | F | 61 | Low | 73.5 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 10 | -177.9 | 57.1 | -117.1 | 0 | 0 | 0 | 115.6 | G1164 K1189 S1190 L1191 T1192 S1193 H1198 E1201 F1202 | G1164-F1166 PolarHBondContact O-N 3.41Å; F1166-K1189 HydrophobicContact CE2-CD 4.08Å; F1166-K1189 VanDerWaalsContact CE2-CE 3.44Å; F1166-K1189 HydrophobicContact CE2-CG 4.18Å; F1166-K1189 HydrophobicContact CZ-CD 4.05Å; F1166-K1189 VanDerWaalsContact CZ-NZ 3.29Å; F1166-S1190 WeakPolarHBondContact CD2-O 3.44Å; F1166-S1190 WeakPolarHBondContact CE2-O 3.47Å; F1166-L1191 HydrophobicContact CB-CD1 4.14Å; F1166-L1191 HydrophobicContact CD2-CD1 3.79Å; F1166-L1191 HydrophobicContact CE2-CD1 4.41Å; F1166-L1191 HydrophobicContact CG-CD1 4.12Å; F1166-T1192 PolarHBondContact O-N 2.8Å; F1166-T1192 PolarHBondContact O-OG1 2.82Å; F1166-S1193 PolarHBondContact O-N 3.02Å; F1166-H1198 HydrophobicContact CB-CB 3.54Å; F1166-H1198 HydrophobicContact CD1-CB 4.46Å; F1166-H1198 HydrophobicContact CG-CB 4.31Å; F1166-E1201 HydrophobicContact CE1-CB 4.43Å; F1166-E1201 HydrophobicContact CE1-CG 4.21Å; F1166-F1202 HydrophobicContact CE1-CB 4.48Å; F1166-F1202 HydrophobicContact CE2-CB 4.27Å; F1166-F1202 AromaticContact CE2-CD2 3.72Å; F1166-F1202 HydrophobicContact CE2-CD2 3.72Å; F1166-F1202 HydrophobicContact CE2-CG 4.49Å; F1166-F1202 HydrophobicContact CZ-CB 4.02Å; F1166-F1202 HydrophobicContact CZ-CD2 4.02Å |
| 1167 | G | 68 | Low | 73.5 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | 162.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1164 T1192 | G1164-G1167 WeakPolarHBondContact CA-O 3.33Å; G1164-G1167 PolarHBondContact N-O 2.7Å; G1164-G1167 PolarHBondContact O-N 3.23Å; G1167-T1192 WeakPolarHBondContact CA-OG1 3.21Å |
| 1168 | D | 74.4 | Confident | 73 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 153.7 | 179.6 | -70.2 | -30.9 | 0 | 0 | 0 | 112.2 | K1163 F1170 S1190 | K1163-D1168 WeakPolarHBondContact CD-OD1 3.24Å; K1163-D1168 VanDerWaalsContact CE-OD1 3.27Å; K1163-D1168 WeakPolarHBondContact CE-OD1 3.46Å; K1163-D1168 WeakPolarHBondContact CG-OD1 3.47Å; K1163-D1168 IonicContact NZ-OD1 2.85Å; K1163-D1168 PolarHBondContact NZ-OD1 2.84Å; D1168-F1170 HydrophobicContact CB-CE1 4.23Å; D1168-F1170 HydrophobicContact CB-CE2 3.8Å; D1168-F1170 HydrophobicContact CB-CZ 3.53Å; D1168-S1190 PolarHBondContact N-OG 3.12Å; D1168-S1190 PolarHBondContact O-N 2.83Å; D1168-S1190 PolarHBondContact O-OG 2.81Å |
| 1169 | V | 78.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | 175.6 | 175 | 0 | 0 | 0 | 0 | 110.6 | I1160 L1161 G1162 L1187 V1188 K1189 L1311 | I1160-V1169 WeakPolarHBondContact CA-O 3.41Å; L1161-V1169 PolarHBondContact N-O 3.41Å; G1162-V1169 PolarHBondContact N-O 3.15Å; G1162-V1169 PolarHBondContact O-N 3.14Å; V1169-L1187 HydrophobicContact CG1-CD1 4.23Å; V1169-L1187 HydrophobicContact CG1-CD2 3.71Å; V1169-L1187 HydrophobicContact CG1-CG 3.85Å; V1169-V1188 CarbonylContact C-O 3.49Å; V1169-V1188 VanDerWaalsContact CA-O 3.28Å; V1169-V1188 WeakPolarHBondContact CA-O 3.25Å; V1169-K1189 HydrophobicContact CG2-CB 4.18Å; V1169-K1189 HydrophobicContact CG2-CD 4.42Å; V1169-K1189 HydrophobicContact CG2-CG 3.83Å; V1169-L1311 HydrophobicContact CB-CD2 3.77Å; V1169-L1311 HydrophobicContact CG1-CD2 3.63Å; V1169-L1311 HydrophobicContact CG2-CD2 3.2Å |
| 1170 | F | 80.9 | Confident | 72.4 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.2 | -172 | -44.7 | -99.2 | 0 | 0 | 0 | 111.8 | M1157 G1159 I1160 D1168 V1188 | M1157-F1170 HydrophobicContact CE-CB 4.11Å; M1157-F1170 HydrophobicContact CE-CD1 4.03Å; M1157-F1170 HydrophobicContact CE-CD2 3.54Å; M1157-F1170 HydrophobicContact CE-CE1 4.34Å; M1157-F1170 HydrophobicContact CE-CE2 3.9Å; M1157-F1170 HydrophobicContact CE-CG 3.62Å; M1157-F1170 HydrophobicContact CE-CZ 4.29Å; M1157-F1170 HydrophobicContact SD-CB 3.68Å; M1157-F1170 HydrophobicContact SD-CD1 4.22Å; M1157-F1170 HydrophobicContact SD-CD2 4.29Å; M1157-F1170 HydrophobicContact SD-CG 3.82Å; G1159-F1170 CarbonylContact O-C 3.58Å; G1159-F1170 VanDerWaalsContact O-CA 3.23Å; G1159-F1170 WeakPolarHBondContact O-CA 3.41Å; I1160-F1170 HydrophobicContact CD1-CE1 4.27Å; I1160-F1170 HydrophobicContact CG1-CD1 3.65Å; I1160-F1170 HydrophobicContact CG1-CE1 3.6Å; D1168-F1170 HydrophobicContact CB-CE1 4.23Å; D1168-F1170 HydrophobicContact CB-CE2 3.8Å; D1168-F1170 HydrophobicContact CB-CZ 3.53Å; F1170-V1188 HydrophobicContact CB-CB 4.2Å; F1170-V1188 HydrophobicContact CD2-CB 4.3Å; F1170-V1188 HydrophobicContact CD2-CG1 4.39Å; F1170-V1188 PolarHBondContact N-O 3.4Å; F1170-V1188 PolarHBondContact O-N 2.74Å |
| 1171 | L | 87.4 | Confident | 72.4 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.7 | 155.2 | -174.3 | 64.5 | 0 | 0 | 0 | 108.1 | E1158 G1159 L1161 L1185 Y1236 | E1158-L1171 HydrophobicContact CB-CB 4.45Å; E1158-L1171 HydrophobicContact CB-CD2 4.46Å; E1158-L1171 HydrophobicContact CB-CG 4.36Å; E1158-L1171 PolarHBondContact N-O 2.87Å; G1159-L1171 PolarHBondContact N-O 2.88Å; G1159-L1171 PolarHBondContact O-N 2.85Å; L1161-L1171 HydrophobicContact CD1-CB 4.01Å; L1161-L1171 HydrophobicContact CD2-CB 4.13Å; L1161-L1171 HydrophobicContact CG-CB 3.98Å; L1171-L1185 HydrophobicContact CD1-CD2 4.24Å; L1171-L1185 HydrophobicContact CG-CD2 4.33Å; L1171-Y1236 HydrophobicContact CD1-CD1 4.42Å; L1171-Y1236 HydrophobicContact CD1-CD2 3.71Å; L1171-Y1236 HydrophobicContact CD1-CE2 3.9Å; L1171-Y1236 HydrophobicContact CD1-CG 4Å |
| 1172 | A | 88.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L1155 Q1156 M1157 L1185 V1186 V1188 | L1155-A1172 HydrophobicContact CD1-CB 3.71Å; L1155-A1172 HydrophobicContact CG-CB 4.12Å; Q1156-A1172 CarbonylContact O-C 3.56Å; Q1156-A1172 WeakPolarHBondContact O-CA 3.43Å; Q1156-A1172 VanDerWaalsContact O-CB 3.29Å; Q1156-A1172 WeakPolarHBondContact O-CB 3.35Å; M1157-A1172 HydrophobicContact SD-CB 3.99Å; A1172-L1185 WeakPolarHBondContact O-CA 3.11Å; A1172-V1186 HydrophobicContact CB-CG2 4.01Å; A1172-V1186 PolarHBondContact N-O 2.92Å; A1172-V1186 PolarHBondContact O-N 3.36Å; A1172-V1188 HydrophobicContact CB-CG2 3.49Å; A1172-V1188 VanDerWaalsContact CB-CG2 3.49Å |
| 1173 | R | 86.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 59 Ų | 59 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.6 | 161.8 | -62.3 | 177 | -160.6 | -84.2 | -14.9 | 108.9 | Q1156 E1158 S1184 L1185 | Q1156-R1173 HydrophobicContact CB-CB 4.47Å; Q1156-R1173 PolarHBondContact N-O 2.68Å; Q1156-R1173 PolarHBondContact O-N 3.42Å; E1158-R1173 HydrophobicContact CG-CG 4.13Å; E1158-R1173 WeakPolarHBondContact OE1-CD 3.43Å; E1158-R1173 IonicContact OE1-CZ 2.72Å; E1158-R1173 IonicContact OE1-NE 2.96Å; E1158-R1173 PolarHBondContact OE1-NE 2.67Å; E1158-R1173 IonicContact OE1-NH2 3.61Å; E1158-R1173 IonicContact OE2-CZ 2.75Å; E1158-R1173 IonicContact OE2-NE 3.43Å; E1158-R1173 PolarHBondContact OE2-NE 3.13Å; E1158-R1173 IonicContact OE2-NH2 3.55Å; E1158-R1173 PolarHBondContact OE2-NH2 3.4Å; R1173-S1184 WeakPolarHBondContact CA-O 3.35Å; R1173-L1185 HydrophobicContact CG-CD2 3.91Å |
| 1174 | A | 88.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y1150 L1155 I1177 Q1183 S1184 V1186 | Y1150-A1174 HydrophobicContact CE1-CB 4.23Å; Y1150-A1174 HydrophobicContact CE2-CB 4.43Å; L1155-A1174 HydrophobicContact CD1-CB 4.16Å; A1174-I1177 HydrophobicContact CB-CB 4Å; A1174-I1177 HydrophobicContact CB-CD1 4.01Å; A1174-I1177 HydrophobicContact CB-CG2 3.81Å; A1174-Q1183 WeakPolarHBondContact O-CA 3.47Å; A1174-S1184 PolarHBondContact N-O 3.43Å; A1174-S1184 PolarHBondContact O-N 2.9Å; A1174-V1186 HydrophobicContact CB-CG1 3.89Å; A1174-V1186 HydrophobicContact CB-CG2 4.03Å |
| 1175 | R | 78 | Confident | 76.2 | Confident | 97 Ų | 97 | 57 Ų | 57 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 141.5 | 171.6 | -59.9 | -164.5 | -66.7 | -105.7 | -4.7 | 110.7 | Y1150 C1153 E1154 I1177 A1182 Q1183 | Y1150-R1175 WeakPolarHBondContact CE2-O 3.35Å; Y1150-R1175 PolarHBondContact OH-N 3.27Å; Y1150-R1175 PolarHBondContact OH-O 3.34Å; C1153-R1175 PolarHBondContact O-NH2 2.8Å; E1154-R1175 HydrophobicContact CB-CB 4.46Å; E1154-R1175 PolarHBondContact O-N 3.37Å; E1154-R1175 IonicContact OE2-CZ 2.61Å; E1154-R1175 IonicContact OE2-NE 2.61Å; E1154-R1175 PolarHBondContact OE2-NE 3.24Å; E1154-R1175 IonicContact OE2-NH2 2.74Å; E1154-R1175 PolarHBondContact OE2-NH2 2.74Å; R1175-I1177 PolarHBondContact O-N 3.09Å; R1175-A1182 WeakPolarHBondContact CA-O 3.49Å; R1175-Q1183 HydrophobicContact CG-CG 4.21Å |
| 1176 | H | 76 | Confident | 77.9 | Confident | 129 Ų | 129 | 52.7 Ų | 52.7 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 51.9 | 21.1 | 168.6 | -54 | -49.3 | 0 | 0 | 0 | 117.1 | Q1178 E1181 A1182 | H1176-Q1178 VanDerWaalsContact C-N 3.27Å; H1176-Q1178 PolarHBondContact O-N 3.26Å; H1176-E1181 PolarHBondContact ND1-O 3.08Å; H1176-A1182 PolarHBondContact N-O 3.13Å; H1176-A1182 VanDerWaalsContact N-O 3.16Å |
| 1177 | I | 79.3 | Confident | 79.2 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | trans | -76.2 | -15.3 | -178.8 | -159.8 | 166.7 | 0 | 0 | 0 | 112.8 | Y1150 A1174 R1175 V1186 L1221 L1233 | Y1150-I1177 HydrophobicContact CD2-CB 4.38Å; Y1150-I1177 HydrophobicContact CD2-CD1 3.83Å; Y1150-I1177 HydrophobicContact CD2-CG1 3.92Å; Y1150-I1177 HydrophobicContact CE2-CB 3.85Å; Y1150-I1177 HydrophobicContact CE2-CD1 3.97Å; Y1150-I1177 HydrophobicContact CE2-CG1 3.91Å; Y1150-I1177 HydrophobicContact CG-CD1 4.32Å; A1174-I1177 HydrophobicContact CB-CB 4Å; A1174-I1177 HydrophobicContact CB-CD1 4.01Å; A1174-I1177 HydrophobicContact CB-CG2 3.81Å; R1175-I1177 PolarHBondContact O-N 3.09Å; I1177-V1186 HydrophobicContact CD1-CG1 4.4Å; I1177-V1186 HydrophobicContact CG2-CG1 4.26Å; I1177-L1221 HydrophobicContact CD1-CB 3.71Å; I1177-L1221 HydrophobicContact CG1-CB 4.16Å; I1177-L1233 HydrophobicContact CD1-CB 4.38Å; I1177-L1233 HydrophobicContact CD1-CD1 3.73Å | ||
| 1178 | Q | 73.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -124.3 | 139.4 | 174.1 | -52.7 | -156.4 | 96.3 | 0 | 0 | 110.7 | H1176 G1180 E1181 | H1176-Q1178 VanDerWaalsContact C-N 3.27Å; H1176-Q1178 PolarHBondContact O-N 3.26Å; Q1178-G1180 PolarHBondContact O-N 3.21Å; Q1178-E1181 HydrophobicContact CB-CB 4.33Å; Q1178-E1181 HydrophobicContact CB-CG 4.22Å; Q1178-E1181 PolarHBondContact NE2-OE2 3.05Å; Q1178-E1181 PolarHBondContact O-N 2.91Å; Q1178-E1181 VanDerWaalsContact O-N 3.13Å |
| 1179 | E | 67.3 | Low | 80.6 | Confident | 172 Ų | 172 | 51.2 Ų | 51.2 | 80% | 0.804 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 116.8 | -176.7 | -68.5 | -174.8 | -178.7 | 0 | 0 | 111 | R1147 | R1147-E1179 IonicContact CZ-OE1 2.72Å; R1147-E1179 IonicContact NH2-OE1 3.26Å; R1147-E1179 PolarHBondContact NH2-OE1 3.39Å |
| 1180 | G | 65.3 | Low | 80.8 | Confident | 90 Ų | 90 | 51.3 Ų | 51.3 | 93% | 0.928 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -14.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q1178 | Q1178-G1180 PolarHBondContact O-N 3.21Š|
| 1181 | E | 71 | Confident | 80.6 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | trans | -92.3 | 142.3 | 177.6 | -62.3 | -166.7 | 148 | 0 | 0 | 112.4 | H1176 Q1178 S1184 | H1176-E1181 PolarHBondContact ND1-O 3.08Å; Q1178-E1181 HydrophobicContact CB-CB 4.33Å; Q1178-E1181 HydrophobicContact CB-CG 4.22Å; Q1178-E1181 PolarHBondContact NE2-OE2 3.05Å; Q1178-E1181 PolarHBondContact O-N 2.91Å; Q1178-E1181 VanDerWaalsContact O-N 3.13Å; E1181-S1184 WeakPolarHBondContact OE2-CB 3.18Å; E1181-S1184 PolarHBondContact OE2-OG 3.2Å | ||
| 1182 | A | 70.7 | Confident | 79.7 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -78.9 | -42.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1175 H1176 | R1175-A1182 WeakPolarHBondContact CA-O 3.49Å; H1176-A1182 PolarHBondContact N-O 3.13Å; H1176-A1182 VanDerWaalsContact N-O 3.16Å |
| 1183 | Q | 75.9 | Confident | 78.3 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 142.3 | 178 | -60.3 | -168.3 | -19.7 | 0 | 0 | 109.9 | A1174 R1175 | A1174-Q1183 WeakPolarHBondContact O-CA 3.47Å; R1175-Q1183 HydrophobicContact CG-CG 4.21Å |
| 1184 | S | 86.2 | Confident | 77 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.2 | 177.5 | -38.5 | 0 | 0 | 0 | 0 | 109.6 | R1173 A1174 E1181 | R1173-S1184 WeakPolarHBondContact CA-O 3.35Å; A1174-S1184 PolarHBondContact N-O 3.43Å; A1174-S1184 PolarHBondContact O-N 2.9Å; E1181-S1184 WeakPolarHBondContact OE2-CB 3.18Å; E1181-S1184 PolarHBondContact OE2-OG 3.2Å |
| 1185 | L | 89.7 | Confident | 75.5 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 135.6 | 168.1 | -75.1 | 172.3 | 0 | 0 | 0 | 109.8 | L1171 A1172 R1173 Y1236 | L1171-L1185 HydrophobicContact CD1-CD2 4.24Å; L1171-L1185 HydrophobicContact CG-CD2 4.33Å; A1172-L1185 WeakPolarHBondContact O-CA 3.11Å; R1173-L1185 HydrophobicContact CG-CD2 3.91Å; L1185-Y1236 HydrophobicContact CB-CD1 4.31Å; L1185-Y1236 HydrophobicContact CD1-CD1 4.36Å |
| 1186 | V | 90.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | L1155 A1172 A1174 I1177 V1188 L1221 L1234 | L1155-V1186 HydrophobicContact CD1-CG2 3.88Å; A1172-V1186 HydrophobicContact CB-CG2 4.01Å; A1172-V1186 PolarHBondContact N-O 2.92Å; A1172-V1186 PolarHBondContact O-N 3.36Å; A1174-V1186 HydrophobicContact CB-CG1 3.89Å; A1174-V1186 HydrophobicContact CB-CG2 4.03Å; I1177-V1186 HydrophobicContact CD1-CG1 4.4Å; I1177-V1186 HydrophobicContact CG2-CG1 4.26Å; V1186-V1188 HydrophobicContact CG2-CG2 4Å; V1186-L1221 HydrophobicContact CB-CD1 4.36Å; V1186-L1221 HydrophobicContact CG1-CD1 3.63Å; V1186-L1234 WeakPolarHBondContact CA-O 3.31Å |
| 1187 | L | 88.3 | Confident | 73.3 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.6 | 171 | -175 | 145.6 | 0 | 0 | 0 | 108.8 | L1161 V1169 L1234 L1309 L1311 | L1161-L1187 HydrophobicContact CD1-CD1 3.91Å; L1161-L1187 HydrophobicContact CD1-CG 4.33Å; V1169-L1187 HydrophobicContact CG1-CD1 4.23Å; V1169-L1187 HydrophobicContact CG1-CD2 3.71Å; V1169-L1187 HydrophobicContact CG1-CG 3.85Å; L1187-L1234 HydrophobicContact CB-CB 4.49Å; L1187-L1234 HydrophobicContact CD2-CB 4.5Å; L1187-L1234 HydrophobicContact CD2-CD1 4.31Å; L1187-L1234 PolarHBondContact N-O 2.73Å; L1187-L1234 PolarHBondContact O-N 3.29Å; L1187-L1309 HydrophobicContact CD2-CD2 4.46Å; L1187-L1311 HydrophobicContact CD1-CD1 4.02Å |
| 1188 | V | 87.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121 | -174.9 | -172.3 | 0 | 0 | 0 | 0 | 109 | L1155 M1157 V1169 F1170 A1172 V1186 Y1231 I1232 L1233 | L1155-V1188 HydrophobicContact CD1-CG2 4.08Å; L1155-V1188 HydrophobicContact CD2-CG1 4.18Å; L1155-V1188 HydrophobicContact CD2-CG2 4.08Å; M1157-V1188 HydrophobicContact CE-CG1 4.11Å; M1157-V1188 HydrophobicContact SD-CG2 4.32Å; V1169-V1188 CarbonylContact C-O 3.49Å; V1169-V1188 VanDerWaalsContact CA-O 3.28Å; V1169-V1188 WeakPolarHBondContact CA-O 3.25Å; F1170-V1188 HydrophobicContact CB-CB 4.2Å; F1170-V1188 HydrophobicContact CD2-CB 4.3Å; F1170-V1188 HydrophobicContact CD2-CG1 4.39Å; F1170-V1188 PolarHBondContact N-O 3.4Å; F1170-V1188 PolarHBondContact O-N 2.74Å; A1172-V1188 HydrophobicContact CB-CG2 3.49Å; A1172-V1188 VanDerWaalsContact CB-CG2 3.49Å; V1186-V1188 HydrophobicContact CG2-CG2 4Å; V1188-Y1231 HydrophobicContact CG1-CD1 4.12Å; V1188-Y1231 HydrophobicContact CG1-CD2 4.18Å; V1188-Y1231 HydrophobicContact CG1-CG 3.83Å; V1188-I1232 WeakPolarHBondContact CA-O 3.45Å; V1188-L1233 HydrophobicContact CB-CD2 4.29Å; V1188-L1233 HydrophobicContact CG1-CD2 3.93Å; V1188-L1233 HydrophobicContact CG2-CD2 3.81Å |
| 1189 | K | 84.7 | Confident | 72 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.9 | 172.4 | -172.5 | 173 | -170.7 | -172.3 | 0 | 110.2 | F1166 V1169 Y1231 I1232 | F1166-K1189 HydrophobicContact CE2-CD 4.08Å; F1166-K1189 VanDerWaalsContact CE2-CE 3.44Å; F1166-K1189 HydrophobicContact CE2-CG 4.18Å; F1166-K1189 HydrophobicContact CZ-CD 4.05Å; F1166-K1189 VanDerWaalsContact CZ-NZ 3.29Å; V1169-K1189 HydrophobicContact CG2-CB 4.18Å; V1169-K1189 HydrophobicContact CG2-CD 4.42Å; V1169-K1189 HydrophobicContact CG2-CG 3.83Å; K1189-Y1231 WeakPolarHBondContact O-CA 3.36Å; K1189-I1232 HydrophobicContact CB-CB 4.49Å; K1189-I1232 PolarHBondContact N-O 3.09Å; K1189-I1232 PolarHBondContact O-N 3.17Å |
| 1190 | S | 81.7 | Confident | 71.6 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 153 | 178.8 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | F1166 D1168 F1230 | F1166-S1190 WeakPolarHBondContact CD2-O 3.44Å; F1166-S1190 WeakPolarHBondContact CE2-O 3.47Å; D1168-S1190 PolarHBondContact N-OG 3.12Å; D1168-S1190 PolarHBondContact O-N 2.83Å; D1168-S1190 PolarHBondContact O-OG 2.81Å; S1190-F1230 WeakPolarHBondContact CA-O 3.29Å |
| 1191 | L | 76.3 | Confident | 71.5 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 103.6 | 163.5 | 179.9 | 64.3 | 0 | 0 | 0 | 108.9 | F1166 S1193 H1198 I1199 F1202 P1229 F1230 | F1166-L1191 HydrophobicContact CB-CD1 4.14Å; F1166-L1191 HydrophobicContact CD2-CD1 3.79Å; F1166-L1191 HydrophobicContact CE2-CD1 4.41Å; F1166-L1191 HydrophobicContact CG-CD1 4.12Å; L1191-S1193 WeakPolarHBondContact CD1-O 3.3Å; L1191-H1198 HydrophobicContact CD1-CB 4.5Å; L1191-I1199 HydrophobicContact CD2-CG1 4.22Å; L1191-F1202 HydrophobicContact CB-CD2 3.69Å; L1191-F1202 HydrophobicContact CB-CE2 3.7Å; L1191-F1202 HydrophobicContact CB-CG 4.15Å; L1191-F1202 HydrophobicContact CB-CZ 4.22Å; L1191-F1202 HydrophobicContact CD1-CB 4.15Å; L1191-F1202 HydrophobicContact CD1-CD2 4.47Å; L1191-F1202 HydrophobicContact CD1-CG 4.41Å; L1191-F1202 HydrophobicContact CD2-CB 4.14Å; L1191-F1202 HydrophobicContact CD2-CD1 3.87Å; L1191-F1202 HydrophobicContact CD2-CD2 4.27Å; L1191-F1202 HydrophobicContact CD2-CE1 4.28Å; L1191-F1202 HydrophobicContact CD2-CG 3.86Å; L1191-F1202 HydrophobicContact CG-CD2 4.37Å; L1191-F1202 HydrophobicContact CG-CG 4.38Å; L1191-P1229 WeakPolarHBondContact O-CB 3.29Å; L1191-F1230 HydrophobicContact CD2-CD2 4.47Å; L1191-F1230 PolarHBondContact N-O 3.05Å |
| 1192 | T | 68.1 | Low | 71.4 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | trans | -100.9 | -27.6 | 172.7 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | F1166 G1167 P1229 | F1166-T1192 PolarHBondContact O-N 2.8Å; F1166-T1192 PolarHBondContact O-OG1 2.82Å; G1167-T1192 WeakPolarHBondContact CA-OG1 3.21Å; T1192-P1229 HydrophobicContact CG2-CB 4.21Å | ||
| 1193 | S | 61.3 | Low | 71.2 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | trans | -77.1 | 131.6 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 112.8 | F1166 L1191 D1195 H1198 | F1166-S1193 PolarHBondContact O-N 3.02Å; L1191-S1193 WeakPolarHBondContact CD1-O 3.3Å; S1193-D1195 VanDerWaalsContact C-N 3.32Å; S1193-D1195 WeakPolarHBondContact OG-CB 3.46Å; S1193-D1195 PolarHBondContact OG-N 3.06Å; S1193-D1195 PolarHBondContact OG-OD2 3.21Å; S1193-H1198 WeakPolarHBondContact CB-ND1 3.44Å; S1193-H1198 PolarHBondContact OG-ND1 3.04Å | ||
| 1194 | C | 59.3 | Low | 70.7 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 53% | 0.527 | 25% | 0.247 | S | C | . | . | trans | -85.7 | 4.5 | 170.5 | -46.6 | 0 | 0 | 0 | 0 | 113.7 | P507 I1199 | P507-C1194 HydrophobicContact CG-CB 4.03Å; C1194-I1199 VanDerWaalsContact O-CD1 3.27Å; C1194-I1199 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1195 | D | 56 | Low | 69.9 | Low | 97 Ų | 97 | 44.8 Ų | 44.8 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | trans | -68.2 | 135.5 | -178.3 | -67.9 | -63 | 0 | 0 | 0 | 110.7 | S1193 V1197 H1198 I1199 | S1193-D1195 VanDerWaalsContact C-N 3.32Å; S1193-D1195 WeakPolarHBondContact OG-CB 3.46Å; S1193-D1195 PolarHBondContact OG-N 3.06Å; S1193-D1195 PolarHBondContact OG-OD2 3.21Å; D1195-V1197 PolarHBondContact O-N 2.76Å; D1195-V1197 VanDerWaalsContact O-N 3.14Å; D1195-H1198 HydrophobicContact CB-CB 4.27Å; D1195-H1198 WeakPolarHBondContact O-CB 3.32Å; D1195-H1198 PolarHBondContact O-N 3.27Å; D1195-H1198 IonicContact OD2-CE1 2.72Å; D1195-H1198 IonicContact OD2-ND1 2.68Å; D1195-H1198 PolarHBondContact OD2-ND1 2.96Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.34Å; D1195-I1199 PolarHBondContact O-N 3.42Å | ||
| 1196 | S | 54.2 | Low | 69 | Low | 83 Ų | 83 | 43.1 Ų | 43.1 | 58% | 0.58 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.7 | -29.1 | -177.2 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | N1200 | S1196-N1200 WeakPolarHBondContact O-CB 3.47Å; S1196-N1200 PolarHBondContact O-N 3.49Å; S1196-N1200 PolarHBondContact O-ND2 3.28Å |
| 1197 | V | 54.2 | Low | 67.7 | Low | 95 Ų | 95 | 50.1 Ų | 50.1 | 58% | 0.576 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | D1195 N1200 E1201 | D1195-V1197 PolarHBondContact O-N 2.76Å; D1195-V1197 VanDerWaalsContact O-N 3.14Å; V1197-N1200 PolarHBondContact O-N 2.97Å; V1197-E1201 PolarHBondContact O-N 2.83Å |
| 1198 | H | 61.6 | Low | 66.6 | Low | 38 Ų | 38 | 50.5 Ų | 50.5 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.1 | -40.8 | -178.5 | -65.6 | 152.3 | 0 | 0 | 0 | 112.4 | F1166 L1191 S1193 D1195 N1200 E1201 F1202 | F1166-H1198 HydrophobicContact CB-CB 3.54Å; F1166-H1198 HydrophobicContact CD1-CB 4.46Å; F1166-H1198 HydrophobicContact CG-CB 4.31Å; L1191-H1198 HydrophobicContact CD1-CB 4.5Å; S1193-H1198 WeakPolarHBondContact CB-ND1 3.44Å; S1193-H1198 PolarHBondContact OG-ND1 3.04Å; D1195-H1198 HydrophobicContact CB-CB 4.27Å; D1195-H1198 WeakPolarHBondContact O-CB 3.32Å; D1195-H1198 PolarHBondContact O-N 3.27Å; D1195-H1198 IonicContact OD2-CE1 2.72Å; D1195-H1198 IonicContact OD2-ND1 2.68Å; D1195-H1198 PolarHBondContact OD2-ND1 2.96Å; H1198-N1200 VanDerWaalsContact C-N 3.33Å; H1198-N1200 PolarHBondContact O-N 2.87Å; H1198-E1201 PolarHBondContact O-N 3.28Å; H1198-F1202 WeakPolarHBondContact O-CB 3.31Å; H1198-F1202 PolarHBondContact O-N 3.16Å |
| 1199 | I | 62.3 | Low | 65.7 | Low | 55 Ų | 55 | 50.8 Ų | 50.8 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 169.7 | -69.2 | 167.9 | 0 | 0 | 0 | 110.4 | L1191 C1194 D1195 F1202 H1203 | L1191-I1199 HydrophobicContact CD2-CG1 4.22Å; C1194-I1199 VanDerWaalsContact O-CD1 3.27Å; C1194-I1199 WeakPolarHBondContact O-CD1 3.32Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.34Å; D1195-I1199 PolarHBondContact O-N 3.42Å; I1199-F1202 PolarHBondContact O-N 2.98Å; I1199-H1203 PolarHBondContact O-CD2 2.76Å; I1199-H1203 VanDerWaalsContact O-CD2 3.22Å; I1199-H1203 PolarHBondContact O-N 3.01Å |
| 1200 | N | 59.6 | Low | 64.9 | Low | 106 Ų | 106 | 52.3 Ų | 52.3 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 178.2 | -74.2 | -21.6 | 0 | 0 | 0 | 112.5 | S1196 V1197 H1198 H1203 R1204 | S1196-N1200 WeakPolarHBondContact O-CB 3.47Å; S1196-N1200 PolarHBondContact O-N 3.49Å; S1196-N1200 PolarHBondContact O-ND2 3.28Å; V1197-N1200 PolarHBondContact O-N 2.97Å; H1198-N1200 VanDerWaalsContact C-N 3.33Å; H1198-N1200 PolarHBondContact O-N 2.87Å; N1200-H1203 PolarHBondContact O-N 2.81Å; N1200-R1204 WeakPolarHBondContact O-CB 3.35Å; N1200-R1204 PolarHBondContact O-N 2.78Å |
| 1201 | E | 62.8 | Low | 63.8 | Low | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.5 | -31.2 | 177.9 | -175.8 | 52.4 | -138.2 | 0 | 0 | 112.3 | F1166 V1197 H1198 R1204 Q1205 | F1166-E1201 HydrophobicContact CE1-CB 4.43Å; F1166-E1201 HydrophobicContact CE1-CG 4.21Å; V1197-E1201 PolarHBondContact O-N 2.83Å; H1198-E1201 PolarHBondContact O-N 3.28Å; E1201-R1204 PolarHBondContact O-N 3.05Å; E1201-R1204 WeakPolarHBondContact OE1-CD 3.48Å; E1201-R1204 IonicContact OE1-NH1 3.09Å; E1201-R1204 PolarHBondContact OE1-NH1 3.08Å; E1201-R1204 WeakPolarHBondContact OE2-CD 3.49Å; E1201-R1204 IonicContact OE2-CZ 3Å; E1201-R1204 IonicContact OE2-NH1 3.29Å; E1201-R1204 PolarHBondContact OE2-NH1 3.26Å; E1201-Q1205 VanDerWaalsContact O-CG 3.31Å; E1201-Q1205 WeakPolarHBondContact O-CG 3.42Å; E1201-Q1205 PolarHBondContact O-N 2.88Å; E1201-Q1205 PolarHBondContact OE1-NE2 3.39Å |
| 1202 | F | 68.4 | Low | 63.3 | Low | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 168.1 | -179.5 | -93.9 | 0 | 0 | 0 | 111.8 | F1166 L1191 H1198 I1199 R1204 Q1205 L1206 F1230 I1232 | F1166-F1202 HydrophobicContact CE1-CB 4.48Å; F1166-F1202 HydrophobicContact CE2-CB 4.27Å; F1166-F1202 AromaticContact CE2-CD2 3.72Å; F1166-F1202 HydrophobicContact CE2-CD2 3.72Å; F1166-F1202 HydrophobicContact CE2-CG 4.49Å; F1166-F1202 HydrophobicContact CZ-CB 4.02Å; F1166-F1202 HydrophobicContact CZ-CD2 4.02Å; L1191-F1202 HydrophobicContact CB-CD2 3.69Å; L1191-F1202 HydrophobicContact CB-CE2 3.7Å; L1191-F1202 HydrophobicContact CB-CG 4.15Å; L1191-F1202 HydrophobicContact CB-CZ 4.22Å; L1191-F1202 HydrophobicContact CD1-CB 4.15Å; L1191-F1202 HydrophobicContact CD1-CD2 4.47Å; L1191-F1202 HydrophobicContact CD1-CG 4.41Å; L1191-F1202 HydrophobicContact CD2-CB 4.14Å; L1191-F1202 HydrophobicContact CD2-CD1 3.87Å; L1191-F1202 HydrophobicContact CD2-CD2 4.27Å; L1191-F1202 HydrophobicContact CD2-CE1 4.28Å; L1191-F1202 HydrophobicContact CD2-CG 3.86Å; L1191-F1202 HydrophobicContact CG-CD2 4.37Å; L1191-F1202 HydrophobicContact CG-CG 4.38Å; H1198-F1202 WeakPolarHBondContact O-CB 3.31Å; H1198-F1202 PolarHBondContact O-N 3.16Å; I1199-F1202 PolarHBondContact O-N 2.98Å; F1202-R1204 VanDerWaalsContact C-N 3.34Å; F1202-R1204 PolarHBondContact O-N 2.92Å; F1202-Q1205 PolarHBondContact O-N 3.28Å; F1202-Q1205 VanDerWaalsContact O-N 3.17Å; F1202-L1206 HydrophobicContact CD1-CD1 4.09Å; F1202-L1206 HydrophobicContact CE1-CD1 3.77Å; F1202-L1206 HydrophobicContact CE1-CG 4.46Å; F1202-L1206 PolarHBondContact O-N 3.19Å; F1202-F1230 HydrophobicContact CE1-CB 4.18Å; F1202-F1230 HydrophobicContact CZ-CB 3.76Å; F1202-I1232 HydrophobicContact CD2-CD1 3.72Å; F1202-I1232 HydrophobicContact CD2-CG1 4.19Å; F1202-I1232 HydrophobicContact CE2-CD1 3.57Å; F1202-I1232 HydrophobicContact CE2-CG1 3.49Å; F1202-I1232 VanDerWaalsContact CE2-CG1 3.49Å; F1202-I1232 HydrophobicContact CG-CD1 4.35Å; F1202-I1232 HydrophobicContact CZ-CD1 4.04Å; F1202-I1232 HydrophobicContact CZ-CG1 3.71Å |
| 1203 | H | 66.3 | Low | 63.6 | Low | 97 Ų | 97 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 173.3 | -81.3 | -64.3 | 0 | 0 | 0 | 112.2 | I1199 N1200 Q1205 L1206 E1207 | I1199-H1203 PolarHBondContact O-CD2 2.76Å; I1199-H1203 VanDerWaalsContact O-CD2 3.22Å; I1199-H1203 PolarHBondContact O-N 3.01Å; N1200-H1203 PolarHBondContact O-N 2.81Å; H1203-Q1205 VanDerWaalsContact C-N 3.26Å; H1203-Q1205 PolarHBondContact O-N 3.06Å; H1203-L1206 CarbonylContact O-C 3.48Å; H1203-L1206 WeakPolarHBondContact O-CA 3.47Å; H1203-L1206 WeakPolarHBondContact O-CB 3.4Å; H1203-L1206 PolarHBondContact O-N 2.99Å; H1203-L1206 VanDerWaalsContact O-N 3.11Å; H1203-E1207 WeakPolarHBondContact O-CG 3.44Å; H1203-E1207 PolarHBondContact O-N 2.74Å |
| 1204 | R | 65.5 | Low | 64.9 | Low | 52 Ų | 52 | 64.1 Ų | 64.1 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -29.8 | 175.9 | -178.5 | -90.5 | -176 | 115.9 | -11.7 | 112.4 | N1200 E1201 F1202 E1207 L1208 | N1200-R1204 WeakPolarHBondContact O-CB 3.35Å; N1200-R1204 PolarHBondContact O-N 2.78Å; E1201-R1204 PolarHBondContact O-N 3.05Å; E1201-R1204 WeakPolarHBondContact OE1-CD 3.48Å; E1201-R1204 IonicContact OE1-NH1 3.09Å; E1201-R1204 PolarHBondContact OE1-NH1 3.08Å; E1201-R1204 WeakPolarHBondContact OE2-CD 3.49Å; E1201-R1204 IonicContact OE2-CZ 3Å; E1201-R1204 IonicContact OE2-NH1 3.29Å; E1201-R1204 PolarHBondContact OE2-NH1 3.26Å; F1202-R1204 VanDerWaalsContact C-N 3.34Å; F1202-R1204 PolarHBondContact O-N 2.92Å; R1204-E1207 PolarHBondContact O-N 3.49Å; R1204-L1208 VanDerWaalsContact O-CB 3.29Å; R1204-L1208 WeakPolarHBondContact O-CB 3.21Å; R1204-L1208 PolarHBondContact O-N 3.26Å |
| 1205 | Q | 70.4 | Confident | 66.3 | Low | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74 | -36 | 172 | -74.1 | 165.8 | 30 | 0 | 0 | 112 | E1201 F1202 H1203 L1208 F1209 I1232 | E1201-Q1205 VanDerWaalsContact O-CG 3.31Å; E1201-Q1205 WeakPolarHBondContact O-CG 3.42Å; E1201-Q1205 PolarHBondContact O-N 2.88Å; E1201-Q1205 PolarHBondContact OE1-NE2 3.39Å; F1202-Q1205 PolarHBondContact O-N 3.28Å; F1202-Q1205 VanDerWaalsContact O-N 3.17Å; H1203-Q1205 VanDerWaalsContact C-N 3.26Å; H1203-Q1205 PolarHBondContact O-N 3.06Å; Q1205-L1208 PolarHBondContact O-N 3.12Å; Q1205-F1209 WeakPolarHBondContact O-CD2 3.06Å; Q1205-F1209 PolarHBondContact O-N 3.25Å; Q1205-I1232 HydrophobicContact CB-CD1 4.3Å |
| 1206 | L | 70.8 | Confident | 68.1 | Low | 37 Ų | 37 | 64.2 Ų | 64.2 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 168.1 | -67.9 | 175.7 | 0 | 0 | 0 | 112.6 | F1202 H1203 G1210 V1223 I1232 | F1202-L1206 HydrophobicContact CD1-CD1 4.09Å; F1202-L1206 HydrophobicContact CE1-CD1 3.77Å; F1202-L1206 HydrophobicContact CE1-CG 4.46Å; F1202-L1206 PolarHBondContact O-N 3.19Å; H1203-L1206 CarbonylContact O-C 3.48Å; H1203-L1206 WeakPolarHBondContact O-CA 3.47Å; H1203-L1206 WeakPolarHBondContact O-CB 3.4Å; H1203-L1206 PolarHBondContact O-N 2.99Å; H1203-L1206 VanDerWaalsContact O-N 3.11Å; L1206-G1210 WeakPolarHBondContact O-CA 3.06Å; L1206-G1210 PolarHBondContact O-N 2.92Å; L1206-V1223 HydrophobicContact CD2-CG1 3.49Å; L1206-V1223 VanDerWaalsContact CD2-CG1 3.49Å; L1206-I1232 HydrophobicContact CD2-CD1 3.87Å; L1206-I1232 HydrophobicContact CD2-CG1 3.81Å; L1206-I1232 HydrophobicContact CG-CD1 4.04Å; L1206-I1232 HydrophobicContact CG-CG1 4.4Å |
| 1207 | E | 62.4 | Low | 69.9 | Low | 146 Ų | 146 | 60.4 Ų | 60.4 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 173.9 | -71.7 | -179.1 | 159.4 | 0 | 0 | 112.2 | H1203 R1204 | H1203-E1207 WeakPolarHBondContact O-CG 3.44Å; H1203-E1207 PolarHBondContact O-N 2.74Å; R1204-E1207 PolarHBondContact O-N 3.49Å |
| 1208 | L | 66.1 | Low | 71.4 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.7 | -41.6 | -177.3 | -170.8 | 150.9 | 0 | 0 | 0 | 112.4 | R1204 Q1205 | R1204-L1208 VanDerWaalsContact O-CB 3.29Å; R1204-L1208 WeakPolarHBondContact O-CB 3.21Å; R1204-L1208 PolarHBondContact O-N 3.26Å; Q1205-L1208 PolarHBondContact O-N 3.12Å |
| 1209 | F | 68.6 | Low | 72.6 | Confident | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.022 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -99.5 | -18.7 | -177.7 | -61.6 | -60.4 | 0 | 0 | 0 | 114.7 | Q1205 Q1211 S1212 T1218 L1220 L1234 S1308 | Q1205-F1209 WeakPolarHBondContact O-CD2 3.06Å; Q1205-F1209 PolarHBondContact O-N 3.25Å; F1209-Q1211 PolarHBondContact O-N 2.85Å; F1209-S1212 WeakPolarHBondContact CA-OG 3.19Å; F1209-S1212 PolarHBondContact O-N 2.9Å; F1209-S1212 PolarHBondContact O-OG 3.18Å; F1209-S1212 VanDerWaalsContact O-OG 3.07Å; F1209-T1218 WeakPolarHBondContact CD1-O 3.31Å; F1209-T1218 WeakPolarHBondContact CE1-O 3.19Å; F1209-L1220 HydrophobicContact CB-CB 3.99Å; F1209-L1234 HydrophobicContact CD2-CD2 4.18Å; F1209-L1234 HydrophobicContact CE2-CD1 4.37Å; F1209-L1234 HydrophobicContact CG-CD2 4.45Å; F1209-S1308 WeakPolarHBondContact CE2-OG 3.2Å; F1209-S1308 WeakPolarHBondContact CZ-OG 3.15Å |
| 1210 | G | 66.3 | Low | 73.7 | Confident | 39 Ų | 39 | 56 Ų | 56 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -4.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1206 | L1206-G1210 WeakPolarHBondContact O-CA 3.06Å; L1206-G1210 PolarHBondContact O-N 2.92Å |
| 1211 | Q | 60 | Low | 75 | Confident | 151 Ų | 151 | 51.9 Ų | 51.9 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 5.9 | 175.2 | -62.8 | 177.7 | 48.1 | 0 | 0 | 112.7 | F1209 Y1280 M1284 | F1209-Q1211 PolarHBondContact O-N 2.85Å; Q1211-Y1280 PolarHBondContact O-OH 2.92Å; Q1211-M1284 HydrophobicContact CB-CE 3.99Å |
| 1212 | S | 65.6 | Low | 76.1 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | trans | -89 | 113.3 | -176.6 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | F1209 Y1280 | F1209-S1212 WeakPolarHBondContact CA-OG 3.19Å; F1209-S1212 PolarHBondContact O-N 2.9Å; F1209-S1212 PolarHBondContact O-OG 3.18Å; F1209-S1212 VanDerWaalsContact O-OG 3.07Å; S1212-Y1280 WeakPolarHBondContact CA-OH 2.8Å | ||
| 1213 | D | 74.7 | Confident | 77 | Confident | 131 Ų | 131 | 50.3 Ų | 50.3 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | trans | -131.9 | 88.7 | 174.7 | -166.7 | 28.6 | 0 | 0 | 0 | 108.3 | Y1280 | D1213-Y1280 PolarHBondContact N-OH 2.92Š| ||
| 1214 | H | 88 | Confident | 77.7 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | trans | -160.7 | 133.8 | -173.6 | -179.7 | -99 | 0 | 0 | 0 | 110.8 | Y1216 V1217 Y1280 | H1214-Y1216 VanDerWaalsContact C-N 3.28Å; H1214-Y1216 AromaticContact CE1-CD2 3.81Å; H1214-Y1216 PolarHBondContact ND1-N 2.72Å; H1214-Y1216 PolarHBondContact O-N 2.78Å; H1214-Y1216 VanDerWaalsContact O-N 3.09Å; H1214-V1217 PolarHBondContact O-N 2.82Å; H1214-V1217 VanDerWaalsContact O-N 3.07Å; H1214-Y1280 HydrophobicContact CB-CD1 3.68Å; H1214-Y1280 HydrophobicContact CB-CD2 3.88Å; H1214-Y1280 HydrophobicContact CB-CE1 3.74Å; H1214-Y1280 HydrophobicContact CB-CE2 3.94Å; H1214-Y1280 HydrophobicContact CB-CG 3.75Å; H1214-Y1280 AromaticContact CD2-CD2 3.78Å; H1214-Y1280 AromaticContact CD2-CG 3.8Å; H1214-Y1280 AromaticContact CG-CD1 3.95Å; H1214-Y1280 AromaticContact CG-CD2 3.91Å; H1214-Y1280 AromaticContact CG-CG 3.62Å | ||
| 1215 | D | 88.8 | Confident | 78.2 | Confident | 120 Ų | 120 | 46.5 Ų | 46.5 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -43.2 | -169.3 | -58.1 | -34.9 | 0 | 0 | 0 | 113.9 | K1305 | D1215-K1305 VanDerWaalsContact O-CD 3.27Å; D1215-K1305 WeakPolarHBondContact O-CD 3.44Å; D1215-K1305 WeakPolarHBondContact O-CE 3.43Å; D1215-K1305 PolarHBondContact O-NZ 3.05Å |
| 1216 | Y | 94.1 | Very high | 77.6 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 14.3 | -174.1 | -50.6 | -62.8 | 0 | 0 | 0 | 115.2 | H1214 Q1273 L1276 V1304 I1306 | H1214-Y1216 VanDerWaalsContact C-N 3.28Å; H1214-Y1216 AromaticContact CE1-CD2 3.81Å; H1214-Y1216 PolarHBondContact ND1-N 2.72Å; H1214-Y1216 PolarHBondContact O-N 2.78Å; H1214-Y1216 VanDerWaalsContact O-N 3.09Å; Y1216-Q1273 HydrophobicContact CD1-CB 3.74Å; Y1216-Q1273 HydrophobicContact CD1-CG 3.97Å; Y1216-Q1273 HydrophobicContact CD2-CB 4.43Å; Y1216-Q1273 HydrophobicContact CE1-CB 3.85Å; Y1216-Q1273 HydrophobicContact CE1-CG 3.53Å; Y1216-Q1273 HydrophobicContact CG-CB 4.05Å; Y1216-L1276 HydrophobicContact CD2-CB 4.02Å; Y1216-L1276 HydrophobicContact CD2-CD1 4.45Å; Y1216-L1276 HydrophobicContact CE2-CB 4.38Å; Y1216-L1276 HydrophobicContact CE2-CD1 3.97Å; Y1216-V1304 WeakPolarHBondContact CA-O 3.47Å; Y1216-V1304 HydrophobicContact CD1-CG2 4.25Å; Y1216-I1306 PolarHBondContact O-N 3.07Å |
| 1217 | V | 90.8 | Very high | 76.9 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 142.4 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | H1214 R1219 Y1280 L1281 | H1214-V1217 PolarHBondContact O-N 2.82Å; H1214-V1217 VanDerWaalsContact O-N 3.07Å; V1217-R1219 PolarHBondContact O-N 2.69Å; V1217-Y1280 HydrophobicContact CG2-CD1 4.13Å; V1217-L1281 HydrophobicContact CG1-CD2 4.31Å; V1217-L1281 HydrophobicContact CG2-CD1 4.36Å; V1217-L1281 HydrophobicContact CG2-CD2 4.45Å; V1217-L1281 HydrophobicContact CG2-CG 4.14Å |
| 1218 | T | 87.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 120.8 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | F1209 L1234 E1235 I1306 S1307 | F1209-T1218 WeakPolarHBondContact CD1-O 3.31Å; F1209-T1218 WeakPolarHBondContact CE1-O 3.19Å; T1218-L1234 HydrophobicContact CG2-CB 4.18Å; T1218-L1234 HydrophobicContact CG2-CD1 4.34Å; T1218-E1235 WeakPolarHBondContact CA-OE1 3.31Å; T1218-E1235 HydrophobicContact CG2-CG 4.04Å; T1218-I1306 PolarHBondContact N-O 3.12Å; T1218-I1306 PolarHBondContact OG1-O 3.1Å; T1218-S1307 WeakPolarHBondContact CB-OG 3.18Å; T1218-S1307 WeakPolarHBondContact OG1-CB 3.24Å; T1218-S1307 PolarHBondContact OG1-OG 3.4Å |
| 1219 | R | 85.8 | Confident | 77.1 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 137.8 | -177.8 | -176.6 | 171.7 | 51.6 | 115.3 | 1.8 | 113.2 | V1217 L1221 E1235 | V1217-R1219 PolarHBondContact O-N 2.69Å; R1219-L1221 HydrophobicContact CG-CD2 4.32Å; R1219-E1235 HydrophobicContact CB-CG 4.45Å; R1219-E1235 PolarHBondContact N-OE1 2.8Å; R1219-E1235 IonicContact NE-OE2 3.02Å; R1219-E1235 IonicContact NH2-OE2 3.03Å; R1219-E1235 PolarHBondContact O-N 3.16Å |
| 1220 | L | 86.3 | Confident | 77.8 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127 | 165.4 | -176.9 | 69 | 0 | 0 | 0 | 110.4 | M1148 F1209 V1223 I1232 L1234 | M1148-L1220 HydrophobicContact SD-CD2 4.04Å; M1148-L1220 HydrophobicContact SD-CG 4.2Å; F1209-L1220 HydrophobicContact CB-CB 3.99Å; L1220-V1223 HydrophobicContact CD1-CG1 4.42Å; L1220-I1232 HydrophobicContact CD1-CG2 3.52Å; L1220-L1234 HydrophobicContact CD1-CD2 4.07Å |
| 1221 | L | 87 | Confident | 78.8 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -25.1 | 178.3 | -55.5 | -177.6 | 0 | 0 | 0 | 113.1 | I1177 V1186 R1219 L1233 E1235 | I1177-L1221 HydrophobicContact CD1-CB 3.71Å; I1177-L1221 HydrophobicContact CG1-CB 4.16Å; V1186-L1221 HydrophobicContact CB-CD1 4.36Å; V1186-L1221 HydrophobicContact CG1-CD1 3.63Å; R1219-L1221 HydrophobicContact CG-CD2 4.32Å; L1221-L1233 HydrophobicContact CB-CB 4.37Å; L1221-L1233 PolarHBondContact N-O 2.76Å; L1221-E1235 HydrophobicContact CD1-CB 4.3Å |
| 1222 | G | 86.3 | Confident | 80 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1148 L1233 | M1148-G1222 CarbonylContact O-C 3.51Å; M1148-G1222 VanDerWaalsContact O-CA 3.3Å; M1148-G1222 WeakPolarHBondContact O-CA 3.35Å; G1222-L1233 PolarHBondContact N-O 2.92Å; G1222-L1233 WeakPolarHBondContact O-CB 3.03Å; G1222-L1233 PolarHBondContact O-N 2.67Å |
| 1223 | V | 86.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.8 | 179.1 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | M1148 N1149 Y1150 L1206 L1220 M1225 Y1231 | M1148-V1223 HydrophobicContact CB-CG2 4.49Å; M1148-V1223 WeakPolarHBondContact O-CG2 3.42Å; M1148-V1223 PolarHBondContact O-N 2.87Å; N1149-V1223 WeakPolarHBondContact CA-O 3.35Å; Y1150-V1223 PolarHBondContact N-O 3.06Å; L1206-V1223 HydrophobicContact CD2-CG1 3.49Å; L1206-V1223 VanDerWaalsContact CD2-CG1 3.49Å; L1220-V1223 HydrophobicContact CD1-CG1 4.42Å; V1223-M1225 HydrophobicContact CB-CG 4.24Å; V1223-M1225 HydrophobicContact CB-SD 4.47Å; V1223-M1225 HydrophobicContact CG2-CG 3.91Å; V1223-Y1231 CarbonylContact C-O 3.58Å; V1223-Y1231 VanDerWaalsContact CA-O 3.27Å; V1223-Y1231 WeakPolarHBondContact CA-O 3.49Å |
| 1224 | C | 80.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 94 | 173.6 | -58 | 0 | 0 | 0 | 0 | 110 | Y1150 Y1231 | Y1150-C1224 PolarHBondContact O-SG 2.95Å; C1224-Y1231 HydrophobicContact CB-CD2 3.94Å; C1224-Y1231 HydrophobicContact CB-CG 4.31Å; C1224-Y1231 PolarHBondContact N-O 3.14Å; C1224-Y1231 PolarHBondContact O-N 3.31Å |
| 1225 | M | 75.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | trans | -101.2 | 1 | -178.7 | -58.1 | -56.2 | -61.7 | 0 | 0 | 114 | V1223 Q1227 F1230 | V1223-M1225 HydrophobicContact CB-CG 4.24Å; V1223-M1225 HydrophobicContact CB-SD 4.47Å; V1223-M1225 HydrophobicContact CG2-CG 3.91Å; M1225-Q1227 VanDerWaalsContact C-N 3.3Å; M1225-Q1227 PolarHBondContact O-N 3.01Å; M1225-F1230 HydrophobicContact CE-CB 4.29Å; M1225-F1230 HydrophobicContact CE-CD1 3.73Å; M1225-F1230 HydrophobicContact CE-CD2 3.83Å; M1225-F1230 HydrophobicContact CE-CE1 3.94Å; M1225-F1230 HydrophobicContact CE-CE2 4.04Å; M1225-F1230 HydrophobicContact CE-CG 3.68Å; M1225-F1230 HydrophobicContact CE-CZ 4.1Å; M1225-F1230 HydrophobicContact SD-CB 3.97Å; M1225-F1230 HydrophobicContact SD-CD1 4.01Å; M1225-F1230 HydrophobicContact SD-CG 3.95Å | ||
| 1226 | E | 57.6 | Low | 81.8 | Confident | 129 Ų | 129 | 41 Ų | 41 | 60% | 0.603 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -66.9 | -27.7 | -174.2 | -57.4 | 177.9 | 126.7 | 0 | 0 | 114 | R1152 | R1152-E1226 WeakPolarHBondContact CB-OE2 3.5Å; R1152-E1226 PolarHBondContact N-OE2 3.04Å |
| 1227 | Q | 56.7 | Low | 81.5 | Confident | 129 Ų | 129 | 38.6 Ų | 38.6 | 60% | 0.603 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -160.1 | 150.1 | -178 | -167.5 | -175.4 | -1.8 | 0 | 0 | 108.4 | R1152 M1225 | R1152-Q1227 PolarHBondContact NH2-O 2.97Å; M1225-Q1227 VanDerWaalsContact C-N 3.3Å; M1225-Q1227 PolarHBondContact O-N 3.01Å |
| 1228 | E | 62.8 | Low | 81.3 | Confident | 137 Ų | 137 | 42.2 Ų | 42.2 | 64% | 0.64 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -72.3 | 157.4 | 169.3 | -69.3 | 178.1 | 173.8 | 0 | 0 | 112.3 | F1230 | E1228-F1230 HydrophobicContact CG-CD1 4.27Å; E1228-F1230 HydrophobicContact CG-CD2 4.41Å; E1228-F1230 HydrophobicContact CG-CE1 3.77Å; E1228-F1230 HydrophobicContact CG-CE2 3.91Å; E1228-F1230 HydrophobicContact CG-CZ 3.55Å |
| 1229 | P | 70.5 | Confident | 81 | Confident | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | S | Bend | cis | -68.9 | 135.7 | -10.9 | 28.6 | -34.2 | 0 | 0 | 0 | 110.7 | R1152 L1191 T1192 Y1231 | R1152-P1229 PolarHBondContact NH2-O 3.36Å; L1191-P1229 WeakPolarHBondContact O-CB 3.29Å; T1192-P1229 HydrophobicContact CG2-CB 4.21Å; P1229-Y1231 HydrophobicContact CG-CE1 4.03Å; P1229-Y1231 WeakPolarHBondContact O-CD1 3.38Å; P1229-Y1231 WeakPolarHBondContact O-CE1 3.38Å |
| 1230 | F | 82.1 | Confident | 81 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 147.2 | -176.9 | -57.7 | -49.8 | 0 | 0 | 0 | 111.8 | S1190 L1191 F1202 M1225 E1228 | S1190-F1230 WeakPolarHBondContact CA-O 3.29Å; L1191-F1230 HydrophobicContact CD2-CD2 4.47Å; L1191-F1230 PolarHBondContact N-O 3.05Å; F1202-F1230 HydrophobicContact CE1-CB 4.18Å; F1202-F1230 HydrophobicContact CZ-CB 3.76Å; M1225-F1230 HydrophobicContact CE-CB 4.29Å; M1225-F1230 HydrophobicContact CE-CD1 3.73Å; M1225-F1230 HydrophobicContact CE-CD2 3.83Å; M1225-F1230 HydrophobicContact CE-CE1 3.94Å; M1225-F1230 HydrophobicContact CE-CE2 4.04Å; M1225-F1230 HydrophobicContact CE-CG 3.68Å; M1225-F1230 HydrophobicContact CE-CZ 4.1Å; M1225-F1230 HydrophobicContact SD-CB 3.97Å; M1225-F1230 HydrophobicContact SD-CD1 4.01Å; M1225-F1230 HydrophobicContact SD-CG 3.95Å; E1228-F1230 HydrophobicContact CG-CD1 4.27Å; E1228-F1230 HydrophobicContact CG-CD2 4.41Å; E1228-F1230 HydrophobicContact CG-CE1 3.77Å; E1228-F1230 HydrophobicContact CG-CE2 3.91Å; E1228-F1230 HydrophobicContact CG-CZ 3.55Å |
| 1231 | Y | 86.9 | Confident | 81.2 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.7 | -179.9 | -56.7 | -35.5 | 0 | 0 | 0 | 113.4 | R1152 L1155 M1157 V1188 K1189 V1223 C1224 P1229 | R1152-Y1231 PolarHBondContact NH1-OH 2.9Å; L1155-Y1231 HydrophobicContact CD2-CD2 3.98Å; L1155-Y1231 HydrophobicContact CD2-CE2 4.29Å; M1157-Y1231 HydrophobicContact CE-CE2 4.23Å; V1188-Y1231 HydrophobicContact CG1-CD1 4.12Å; V1188-Y1231 HydrophobicContact CG1-CD2 4.18Å; V1188-Y1231 HydrophobicContact CG1-CG 3.83Å; K1189-Y1231 WeakPolarHBondContact O-CA 3.36Å; V1223-Y1231 CarbonylContact C-O 3.58Å; V1223-Y1231 VanDerWaalsContact CA-O 3.27Å; V1223-Y1231 WeakPolarHBondContact CA-O 3.49Å; C1224-Y1231 HydrophobicContact CB-CD2 3.94Å; C1224-Y1231 HydrophobicContact CB-CG 4.31Å; C1224-Y1231 PolarHBondContact N-O 3.14Å; C1224-Y1231 PolarHBondContact O-N 3.31Å; P1229-Y1231 HydrophobicContact CG-CE1 4.03Å; P1229-Y1231 WeakPolarHBondContact O-CD1 3.38Å; P1229-Y1231 WeakPolarHBondContact O-CE1 3.38Å |
| 1232 | I | 86.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.1 | 164 | -59.1 | 179 | 0 | 0 | 0 | 107.7 | V1188 K1189 F1202 Q1205 L1206 L1220 L1234 | V1188-I1232 WeakPolarHBondContact CA-O 3.45Å; K1189-I1232 HydrophobicContact CB-CB 4.49Å; K1189-I1232 PolarHBondContact N-O 3.09Å; K1189-I1232 PolarHBondContact O-N 3.17Å; F1202-I1232 HydrophobicContact CD2-CD1 3.72Å; F1202-I1232 HydrophobicContact CD2-CG1 4.19Å; F1202-I1232 HydrophobicContact CE2-CD1 3.57Å; F1202-I1232 HydrophobicContact CE2-CG1 3.49Å; F1202-I1232 VanDerWaalsContact CE2-CG1 3.49Å; F1202-I1232 HydrophobicContact CG-CD1 4.35Å; F1202-I1232 HydrophobicContact CZ-CD1 4.04Å; F1202-I1232 HydrophobicContact CZ-CG1 3.71Å; Q1205-I1232 HydrophobicContact CB-CD1 4.3Å; L1206-I1232 HydrophobicContact CD2-CD1 3.87Å; L1206-I1232 HydrophobicContact CD2-CG1 3.81Å; L1206-I1232 HydrophobicContact CG-CD1 4.04Å; L1206-I1232 HydrophobicContact CG-CG1 4.4Å; L1220-I1232 HydrophobicContact CD1-CG2 3.52Å; I1232-L1234 HydrophobicContact CG2-CD2 3.86Å; I1232-L1234 HydrophobicContact CG2-CG 4.04Å |
| 1233 | L | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.5 | 177.2 | -50.3 | 178.3 | 0 | 0 | 0 | 109.4 | Y1150 L1155 I1177 V1188 L1221 G1222 | Y1150-L1233 HydrophobicContact CD1-CD1 3.56Å; Y1150-L1233 HydrophobicContact CD2-CD1 4.39Å; Y1150-L1233 HydrophobicContact CE1-CD1 4.34Å; Y1150-L1233 HydrophobicContact CG-CD1 3.59Å; L1155-L1233 HydrophobicContact CD1-CD2 4.01Å; L1155-L1233 HydrophobicContact CD2-CD2 4.01Å; I1177-L1233 HydrophobicContact CD1-CB 4.38Å; I1177-L1233 HydrophobicContact CD1-CD1 3.73Å; V1188-L1233 HydrophobicContact CB-CD2 4.29Å; V1188-L1233 HydrophobicContact CG1-CD2 3.93Å; V1188-L1233 HydrophobicContact CG2-CD2 3.81Å; L1221-L1233 HydrophobicContact CB-CB 4.37Å; L1221-L1233 PolarHBondContact N-O 2.76Å; G1222-L1233 PolarHBondContact N-O 2.92Å; G1222-L1233 WeakPolarHBondContact O-CB 3.03Å; G1222-L1233 PolarHBondContact O-N 2.67Å |
| 1234 | L | 88 | Confident | 81.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 159.9 | 179 | -59.5 | 178.7 | 0 | 0 | 0 | 111 | V1186 L1187 F1209 T1218 L1220 I1232 L1309 | V1186-L1234 WeakPolarHBondContact CA-O 3.31Å; L1187-L1234 HydrophobicContact CB-CB 4.49Å; L1187-L1234 HydrophobicContact CD2-CB 4.5Å; L1187-L1234 HydrophobicContact CD2-CD1 4.31Å; L1187-L1234 PolarHBondContact N-O 2.73Å; L1187-L1234 PolarHBondContact O-N 3.29Å; F1209-L1234 HydrophobicContact CD2-CD2 4.18Å; F1209-L1234 HydrophobicContact CE2-CD1 4.37Å; F1209-L1234 HydrophobicContact CG-CD2 4.45Å; T1218-L1234 HydrophobicContact CG2-CB 4.18Å; T1218-L1234 HydrophobicContact CG2-CD1 4.34Å; L1220-L1234 HydrophobicContact CD1-CD2 4.07Å; I1232-L1234 HydrophobicContact CG2-CD2 3.86Å; I1232-L1234 HydrophobicContact CG2-CG 4.04Å; L1234-L1309 HydrophobicContact CD1-CD1 4.44Å; L1234-L1309 HydrophobicContact CD1-CD2 3.95Å |
| 1235 | E | 87.5 | Confident | 82.1 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 147.3 | 169.3 | 67.2 | -170.5 | 166.4 | 0 | 0 | 112.2 | T1218 R1219 L1221 K1305 | T1218-E1235 WeakPolarHBondContact CA-OE1 3.31Å; T1218-E1235 HydrophobicContact CG2-CG 4.04Å; R1219-E1235 HydrophobicContact CB-CG 4.45Å; R1219-E1235 PolarHBondContact N-OE1 2.8Å; R1219-E1235 IonicContact NE-OE2 3.02Å; R1219-E1235 IonicContact NH2-OE2 3.03Å; R1219-E1235 PolarHBondContact O-N 3.16Å; L1221-E1235 HydrophobicContact CD1-CB 4.3Å; E1235-K1305 VanDerWaalsContact CD-NZ 3.34Å; E1235-K1305 WeakPolarHBondContact OE1-CD 3.41Å; E1235-K1305 VanDerWaalsContact OE1-CE 3.25Å; E1235-K1305 WeakPolarHBondContact OE1-CE 3.3Å; E1235-K1305 IonicContact OE1-NZ 2.7Å; E1235-K1305 PolarHBondContact OE1-NZ 2.88Å; E1235-K1305 IonicContact OE2-NZ 3.19Å; E1235-K1305 PolarHBondContact OE2-NZ 2.83Å |
| 1236 | Y | 89.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | trans | -95.4 | 148.8 | 179.4 | 176.5 | -110.8 | 0 | 0 | 0 | 110.8 | P1083 L1171 L1185 E1238 | P1083-Y1236 WeakPolarHBondContact CG-OH 3.44Å; L1171-Y1236 HydrophobicContact CD1-CD1 4.42Å; L1171-Y1236 HydrophobicContact CD1-CD2 3.71Å; L1171-Y1236 HydrophobicContact CD1-CE2 3.9Å; L1171-Y1236 HydrophobicContact CD1-CG 4Å; L1185-Y1236 HydrophobicContact CB-CD1 4.31Å; L1185-Y1236 HydrophobicContact CD1-CD1 4.36Å; Y1236-E1238 HydrophobicContact CE1-CG 4.3Å | ||
| 1237 | C | 89.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | trans | -132.1 | 125.5 | -178 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | G1240 L1297 L1298 | C1237-G1240 PolarHBondContact O-N 3.31Å; C1237-L1297 HydrophobicContact CB-CB 3.75Å; C1237-L1297 HydrophobicContact CB-CD1 4.08Å; C1237-L1298 WeakPolarHBondContact CB-O 3.4Å | ||
| 1238 | E | 85.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.6 | -161.7 | -59.4 | 84.5 | 173.9 | 0 | 0 | 114.7 | P1083 Y1236 G1240 L1298 T1299 Q1300 | P1083-E1238 WeakPolarHBondContact CB-O 3.48Å; P1083-E1238 WeakPolarHBondContact CG-O 3.45Å; Y1236-E1238 HydrophobicContact CE1-CG 4.3Å; E1238-G1240 VanDerWaalsContact C-N 3.34Å; E1238-L1298 PolarHBondContact N-O 3.12Å; E1238-T1299 WeakPolarHBondContact OE2-CA 3.42Å; E1238-Q1300 HydrophobicContact CB-CB 4.44Å; E1238-Q1300 HydrophobicContact CG-CB 4.37Å; E1238-Q1300 PolarHBondContact OE2-N 2.76Å |
| 1239 | W | 82.2 | Confident | 86.2 | Confident | 101 Ų | 101 | 33.2 Ų | 33.2 | 38% | 0.383 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.6 | -179.6 | -69.5 | 119 | 0 | 0 | 0 | 113.7 | F1245 M1259 L1298 Q1300 | W1239-F1245 HydrophobicContact CB-CD2 4.29Å; W1239-F1245 HydrophobicContact CD2-CD2 4.3Å; W1239-F1245 HydrophobicContact CD2-CE2 4.08Å; W1239-F1245 HydrophobicContact CE3-CD2 4.27Å; W1239-F1245 HydrophobicContact CE3-CE2 4.2Å; W1239-F1245 HydrophobicContact CG-CD2 4.33Å; W1239-F1245 HydrophobicContact CG-CE2 4.33Å; W1239-M1259 HydrophobicContact CH2-CE 4.07Å; W1239-M1259 HydrophobicContact CH2-SD 4.26Å; W1239-M1259 HydrophobicContact CZ2-CE 4.4Å; W1239-M1259 HydrophobicContact CZ3-SD 4.48Å; W1239-L1298 HydrophobicContact CB-CB 3.8Å; W1239-L1298 PolarHBondContact N-O 2.76Å; W1239-L1298 VanDerWaalsContact N-O 3.17Å; W1239-Q1300 PolarHBondContact NE1-O 3.19Å |
| 1240 | G | 85.7 | Confident | 86.6 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | 70.9 | -141.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1237 E1238 L1297 L1298 | C1237-G1240 PolarHBondContact O-N 3.31Å; E1238-G1240 VanDerWaalsContact C-N 3.34Å; G1240-L1297 VanDerWaalsContact O-CA 3.28Å; G1240-L1297 WeakPolarHBondContact O-CA 3.41Å; G1240-L1298 PolarHBondContact O-N 3.4Å | ||
| 1241 | D | 89.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 16% | 0.155 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 144.9 | -177.2 | 88.4 | 68.8 | 0 | 0 | 0 | 113.7 | K1243 Q1244 F1245 V1296 L1297 Y1316 | D1241-K1243 VanDerWaalsContact C-N 3.26Å; D1241-K1243 PolarHBondContact O-N 2.95Å; D1241-K1243 VanDerWaalsContact OD1-CA 3.3Å; D1241-K1243 WeakPolarHBondContact OD1-CA 3.36Å; D1241-K1243 WeakPolarHBondContact OD1-CB 3.34Å; D1241-K1243 PolarHBondContact OD1-N 3.37Å; D1241-Q1244 PolarHBondContact O-N 2.91Å; D1241-Q1244 PolarHBondContact OD1-N 2.95Å; D1241-F1245 PolarHBondContact O-N 3.26Å; D1241-F1245 VanDerWaalsContact O-N 3.13Å; D1241-V1296 CarbonylContact C-O 3.48Å; D1241-V1296 WeakPolarHBondContact CA-O 3.4Å; D1241-L1297 HydrophobicContact CB-CD2 4.32Å; D1241-Y1316 PolarHBondContact OD1-OH 2.83Å; D1241-Y1316 PolarHBondContact OD2-OH 2.84Å |
| 1242 | L | 92.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -30.6 | -177.4 | 171.6 | 64 | 0 | 0 | 0 | 112.5 | L1246 I1270 A1293 V1296 L1298 L1389 V1393 | L1242-L1246 HydrophobicContact CD1-CD1 3.86Å; L1242-L1246 HydrophobicContact CD1-CD2 4.48Å; L1242-L1246 HydrophobicContact CD1-CG 3.9Å; L1242-L1246 HydrophobicContact CG-CD1 3.83Å; L1242-L1246 HydrophobicContact CG-CG 4.33Å; L1242-L1246 WeakPolarHBondContact O-CB 3.4Å; L1242-L1246 WeakPolarHBondContact O-CD1 3.46Å; L1242-L1246 WeakPolarHBondContact O-CG 3.22Å; L1242-L1246 PolarHBondContact O-N 3.29Å; L1242-I1270 HydrophobicContact CD1-CD1 4.46Å; L1242-I1270 HydrophobicContact CD1-CG2 4.46Å; L1242-I1270 HydrophobicContact CD2-CG2 4.18Å; L1242-A1293 HydrophobicContact CG-CB 4.48Å; L1242-V1296 HydrophobicContact CB-CB 4.02Å; L1242-V1296 HydrophobicContact CB-CG1 4.12Å; L1242-V1296 WeakPolarHBondContact CB-O 3.41Å; L1242-V1296 HydrophobicContact CD2-CB 4.06Å; L1242-V1296 HydrophobicContact CD2-CG1 3.89Å; L1242-V1296 PolarHBondContact N-O 3.12Å; L1242-L1298 HydrophobicContact CB-CD1 4.38Å; L1242-L1298 HydrophobicContact CB-CG 4.41Å; L1242-L1298 HydrophobicContact CD1-CD1 3.84Å; L1242-L1298 HydrophobicContact CD1-CD2 4.46Å; L1242-L1298 HydrophobicContact CD1-CG 4.35Å; L1242-L1389 HydrophobicContact CD2-CD1 4.44Å; L1242-V1393 HydrophobicContact CD2-CG2 4.18Å |
| 1243 | K | 90.8 | Very high | 82.6 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -47.6 | -179.4 | -160.5 | -165.5 | -170.7 | 90.4 | 0 | 111 | D1241 L1246 R1247 A1293 R1294 Y1316 E1319 E1392 A1397 | D1241-K1243 VanDerWaalsContact C-N 3.26Å; D1241-K1243 PolarHBondContact O-N 2.95Å; D1241-K1243 VanDerWaalsContact OD1-CA 3.3Å; D1241-K1243 WeakPolarHBondContact OD1-CA 3.36Å; D1241-K1243 WeakPolarHBondContact OD1-CB 3.34Å; D1241-K1243 PolarHBondContact OD1-N 3.37Å; K1243-L1246 PolarHBondContact O-N 3Å; K1243-R1247 WeakPolarHBondContact O-CG 3.13Å; K1243-R1247 PolarHBondContact O-N 2.92Å; K1243-A1293 HydrophobicContact CB-CB 3.79Å; K1243-A1293 HydrophobicContact CG-CB 4.09Å; K1243-A1293 PolarHBondContact N-O 3.41Å; K1243-R1294 HydrophobicContact CD-CB 4.34Å; K1243-Y1316 HydrophobicContact CD-CD1 4.28Å; K1243-Y1316 HydrophobicContact CD-CE1 3.84Å; K1243-E1319 VanDerWaalsContact CE-CD 3.5Å; K1243-E1319 WeakPolarHBondContact CE-OE1 3.32Å; K1243-E1319 WeakPolarHBondContact CE-OE2 3.36Å; K1243-E1319 IonicContact NZ-OE1 2.67Å; K1243-E1319 PolarHBondContact NZ-OE1 2.93Å; K1243-E1319 IonicContact NZ-OE2 3.61Å; K1243-E1319 PolarHBondContact NZ-OE2 3.16Å; K1243-E1392 IonicContact NZ-OE1 3.74Å; K1243-E1392 PolarHBondContact NZ-OE1 3.1Å; K1243-A1397 HydrophobicContact CG-CB 3.88Å |
| 1244 | Q | 86.5 | Confident | 80.4 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 178.1 | -175.3 | 57.9 | 20.3 | 0 | 0 | 111.1 | D1241 R1247 C1248 | D1241-Q1244 PolarHBondContact O-N 2.91Å; D1241-Q1244 PolarHBondContact OD1-N 2.95Å; Q1244-R1247 PolarHBondContact O-N 3.02Å; Q1244-C1248 PolarHBondContact O-N 3.41Å; Q1244-C1248 VanDerWaalsContact O-N 3.12Å; Q1244-C1248 PolarHBondContact O-SG 3.42Å; Q1244-C1248 VanDerWaalsContact O-SG 3.42Å |
| 1245 | F | 89.8 | Confident | 78.2 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57 | -50.2 | 172.2 | -178.4 | -98.1 | 0 | 0 | 0 | 112.1 | W1239 D1241 R1247 C1248 M1249 M1259 L1262 L1298 L1302 | W1239-F1245 HydrophobicContact CB-CD2 4.29Å; W1239-F1245 HydrophobicContact CD2-CD2 4.3Å; W1239-F1245 HydrophobicContact CD2-CE2 4.08Å; W1239-F1245 HydrophobicContact CE3-CD2 4.27Å; W1239-F1245 HydrophobicContact CE3-CE2 4.2Å; W1239-F1245 HydrophobicContact CG-CD2 4.33Å; W1239-F1245 HydrophobicContact CG-CE2 4.33Å; D1241-F1245 PolarHBondContact O-N 3.26Å; D1241-F1245 VanDerWaalsContact O-N 3.13Å; F1245-R1247 VanDerWaalsContact C-N 3.29Å; F1245-R1247 PolarHBondContact O-N 3.1Å; F1245-C1248 PolarHBondContact O-N 3.4Å; F1245-M1249 HydrophobicContact CD1-CG 4.38Å; F1245-M1249 HydrophobicContact CE1-CG 4.08Å; F1245-M1249 HydrophobicContact CZ-CG 4.31Å; F1245-M1249 HydrophobicContact CZ-SD 4.33Å; F1245-M1249 WeakPolarHBondContact O-CG 3.01Å; F1245-M1249 PolarHBondContact O-N 3.34Å; F1245-M1249 VanDerWaalsContact O-N 3.15Å; F1245-M1259 HydrophobicContact CE2-CE 4.41Å; F1245-L1262 HydrophobicContact CE1-CD1 4.11Å; F1245-L1262 HydrophobicContact CE1-CD2 4.35Å; F1245-L1262 HydrophobicContact CE1-CG 4.49Å; F1245-L1298 HydrophobicContact CB-CD1 3.88Å; F1245-L1298 HydrophobicContact CD1-CD1 3.55Å; F1245-L1298 HydrophobicContact CD2-CD1 4.28Å; F1245-L1298 HydrophobicContact CE1-CD1 4.13Å; F1245-L1298 HydrophobicContact CG-CD1 3.64Å; F1245-L1302 HydrophobicContact CE1-CD2 4.11Å; F1245-L1302 HydrophobicContact CE2-CD2 4.16Å; F1245-L1302 HydrophobicContact CZ-CD2 3.57Å |
| 1246 | L | 91.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -36.3 | 177.5 | -74.8 | 167.2 | 0 | 0 | 0 | 112.9 | L1242 K1243 M1249 R1250 L1262 V1393 L1396 A1397 | L1242-L1246 HydrophobicContact CD1-CD1 3.86Å; L1242-L1246 HydrophobicContact CD1-CD2 4.48Å; L1242-L1246 HydrophobicContact CD1-CG 3.9Å; L1242-L1246 HydrophobicContact CG-CD1 3.83Å; L1242-L1246 HydrophobicContact CG-CG 4.33Å; L1242-L1246 WeakPolarHBondContact O-CB 3.4Å; L1242-L1246 WeakPolarHBondContact O-CD1 3.46Å; L1242-L1246 WeakPolarHBondContact O-CG 3.22Å; L1242-L1246 PolarHBondContact O-N 3.29Å; K1243-L1246 PolarHBondContact O-N 3Å; L1246-M1249 PolarHBondContact O-N 3.46Å; L1246-R1250 PolarHBondContact O-N 3.41Å; L1246-L1262 HydrophobicContact CD2-CD1 3.64Å; L1246-V1393 HydrophobicContact CD1-CG2 4.33Å; L1246-L1396 HydrophobicContact CD2-CD2 3.87Å; L1246-A1397 HydrophobicContact CB-CB 3.89Å |
| 1247 | R | 86.6 | Confident | 73.8 | Confident | 95 Ų | 95 | 60 Ų | 60 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.5 | -78.1 | -168.6 | 60.7 | -157.9 | -10.4 | 112.6 | K1243 Q1244 F1245 M1249 R1250 E1251 A1397 | K1243-R1247 WeakPolarHBondContact O-CG 3.13Å; K1243-R1247 PolarHBondContact O-N 2.92Å; Q1244-R1247 PolarHBondContact O-N 3.02Å; F1245-R1247 VanDerWaalsContact C-N 3.29Å; F1245-R1247 PolarHBondContact O-N 3.1Å; R1247-M1249 VanDerWaalsContact C-N 3.26Å; R1247-M1249 PolarHBondContact O-N 3.27Å; R1247-R1250 WeakPolarHBondContact O-CB 3.13Å; R1247-R1250 PolarHBondContact O-N 3.19Å; R1247-E1251 IonicContact CZ-OE1 2.67Å; R1247-E1251 IonicContact NE-OE1 2.7Å; R1247-E1251 PolarHBondContact NE-OE1 3.43Å; R1247-E1251 VanDerWaalsContact NE-OE1 3.09Å; R1247-E1251 IonicContact NH2-OE1 3.63Å; R1247-E1251 PolarHBondContact NH2-OE1 2.95Å; R1247-E1251 IonicContact NH2-OE2 3.42Å; R1247-E1251 WeakPolarHBondContact O-CG 3.34Å; R1247-E1251 PolarHBondContact O-N 2.55Å; R1247-A1397 HydrophobicContact CG-CB 3.98Å |
| 1248 | C | 80 | Confident | 71.6 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56 | -43.8 | 175.2 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | Q1244 F1245 R1250 E1251 E1252 | Q1244-C1248 PolarHBondContact O-N 3.41Å; Q1244-C1248 VanDerWaalsContact O-N 3.12Å; Q1244-C1248 PolarHBondContact O-SG 3.42Å; Q1244-C1248 VanDerWaalsContact O-SG 3.42Å; F1245-C1248 PolarHBondContact O-N 3.4Å; C1248-R1250 PolarHBondContact O-N 2.74Å; C1248-E1251 PolarHBondContact O-N 3.3Å; C1248-E1251 VanDerWaalsContact O-N 3.13Å; C1248-E1252 WeakPolarHBondContact O-CB 3.32Å; C1248-E1252 PolarHBondContact O-N 2.75Å |
| 1249 | M | 81.2 | Confident | 70.2 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -19.5 | 176.6 | -62.6 | -52.5 | -59.1 | 0 | 0 | 114.6 | F1245 L1246 R1247 M1259 P1260 L1262 L1396 | F1245-M1249 HydrophobicContact CD1-CG 4.38Å; F1245-M1249 HydrophobicContact CE1-CG 4.08Å; F1245-M1249 HydrophobicContact CZ-CG 4.31Å; F1245-M1249 HydrophobicContact CZ-SD 4.33Å; F1245-M1249 WeakPolarHBondContact O-CG 3.01Å; F1245-M1249 PolarHBondContact O-N 3.34Å; F1245-M1249 VanDerWaalsContact O-N 3.15Å; L1246-M1249 PolarHBondContact O-N 3.46Å; R1247-M1249 VanDerWaalsContact C-N 3.26Å; R1247-M1249 PolarHBondContact O-N 3.27Å; M1249-M1259 HydrophobicContact CE-CB 4.1Å; M1249-M1259 HydrophobicContact SD-CB 4.05Å; M1249-M1259 HydrophobicContact SD-CE 4.48Å; M1249-M1259 HydrophobicContact SD-SD 4.48Å; M1249-P1260 WeakPolarHBondContact CE-O 3.01Å; M1249-L1262 HydrophobicContact CB-CD1 4.39Å; M1249-L1262 HydrophobicContact CE-CG 4.45Å; M1249-L1262 HydrophobicContact CG-CD1 4.06Å; M1249-L1262 HydrophobicContact CG-CG 4.29Å; M1249-L1396 HydrophobicContact CB-CD2 4.49Å |
| 1250 | R | 79.2 | Confident | 69.4 | Low | 93 Ų | 93 | 66.2 Ų | 66.2 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -82.4 | -48 | 169.6 | -179.6 | -169.3 | -76.2 | 146.6 | -6 | 111.1 | L1246 R1247 C1248 N1253 S1395 L1396 A1397 A1398 | L1246-R1250 PolarHBondContact O-N 3.41Å; R1247-R1250 WeakPolarHBondContact O-CB 3.13Å; R1247-R1250 PolarHBondContact O-N 3.19Å; C1248-R1250 PolarHBondContact O-N 2.74Å; R1250-N1253 PolarHBondContact O-ND2 3.07Å; R1250-S1395 PolarHBondContact NH2-O 3.45Å; R1250-L1396 HydrophobicContact CB-CB 4Å; R1250-L1396 HydrophobicContact CB-CD1 4.13Å; R1250-L1396 PolarHBondContact NE-O 2.82Å; R1250-L1396 PolarHBondContact NH1-O 3.45Å; R1250-L1396 PolarHBondContact NH2-O 3.24Å; R1250-A1397 PolarHBondContact NH1-O 2.59Å; R1250-A1397 VanDerWaalsContact NH2-C 3.29Å; R1250-A1397 PolarHBondContact NH2-O 3.39Å; R1250-A1398 VanDerWaalsContact NH2-CA 3.31Å |
| 1251 | E | 67.5 | Low | 68.8 | Low | 84 Ų | 84 | 68.9 Ų | 68.9 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.9 | -34.9 | -167.4 | -67.8 | 164.1 | -166.5 | 0 | 0 | 112.1 | R1247 C1248 N1253 S1254 | R1247-E1251 IonicContact CZ-OE1 2.67Å; R1247-E1251 IonicContact NE-OE1 2.7Å; R1247-E1251 PolarHBondContact NE-OE1 3.43Å; R1247-E1251 VanDerWaalsContact NE-OE1 3.09Å; R1247-E1251 IonicContact NH2-OE1 3.63Å; R1247-E1251 PolarHBondContact NH2-OE1 2.95Å; R1247-E1251 IonicContact NH2-OE2 3.42Å; R1247-E1251 WeakPolarHBondContact O-CG 3.34Å; R1247-E1251 PolarHBondContact O-N 2.55Å; C1248-E1251 PolarHBondContact O-N 3.3Å; C1248-E1251 VanDerWaalsContact O-N 3.13Å; E1251-N1253 PolarHBondContact O-N 2.99Å; E1251-N1253 VanDerWaalsContact O-N 3.11Å; E1251-S1254 PolarHBondContact O-OG 3.35Å |
| 1252 | E | 55.4 | Low | 68.6 | Low | 76 Ų | 76 | 68.3 Ų | 68.3 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -69.6 | -3.9 | -178.7 | -75.6 | -155.5 | 148.3 | 0 | 0 | 116.1 | C1248 S1254 G1255 | C1248-E1252 WeakPolarHBondContact O-CB 3.32Å; C1248-E1252 PolarHBondContact O-N 2.75Å; E1252-S1254 PolarHBondContact O-N 2.89Å; E1252-G1255 PolarHBondContact O-N 3.22Å |
| 1253 | N | 47.1 | Very low | 68.4 | Low | 103 Ų | 103 | 71.6 Ų | 71.6 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -58.2 | -11.2 | 173.2 | -85.8 | -60.8 | 0 | 0 | 0 | 114 | R1250 E1251 | R1250-N1253 PolarHBondContact O-ND2 3.07Å; E1251-N1253 PolarHBondContact O-N 2.99Å; E1251-N1253 VanDerWaalsContact O-N 3.11Å |
| 1254 | S | 43.4 | Very low | 68.2 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 78% | 0.776 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -106.4 | -0.3 | 175.7 | 61.2 | 0 | 0 | 0 | 0 | 115.6 | E1251 E1252 | E1251-S1254 PolarHBondContact O-OG 3.35Å; E1252-S1254 PolarHBondContact O-N 2.89Å |
| 1255 | G | 41 | Very low | 68.2 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -97.7 | 165 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116 | E1252 K1258 | E1252-G1255 PolarHBondContact O-N 3.22Å; G1255-K1258 WeakPolarHBondContact O-CE 3.33Å; G1255-K1258 WeakPolarHBondContact O-CG 3.4Å |
| 1256 | P | 44.1 | Very low | 68.3 | Low | 99 Ų | 99 | 78.5 Ų | 78.5 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -84.4 | -32.8 | 177.8 | 32.2 | -33.7 | 0 | 0 | 0 | 114 | K1258 | P1256-K1258 VanDerWaalsContact C-N 3.33Å; P1256-K1258 PolarHBondContact O-N 3.01Å |
| 1257 | F | 41.8 | Very low | 68.4 | Low | 179 Ų | 179 | 79.3 Ų | 79.3 | 79% | 0.785 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -86.6 | 72.9 | 172.9 | -79.4 | -80.9 | 0 | 0 | 0 | 109.7 | M1259 | F1257-M1259 PolarHBondContact O-N 3.16Å; F1257-M1259 VanDerWaalsContact O-N 3.12Å |
| 1258 | K | 42.6 | Very low | 68.7 | Low | 139 Ų | 139 | 75.4 Ų | 75.4 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | trans | -71.3 | 107.2 | -178.8 | -65.7 | -170.2 | 172.9 | -167.1 | 0 | 111.2 | G1255 P1256 | G1255-K1258 WeakPolarHBondContact O-CE 3.33Å; G1255-K1258 WeakPolarHBondContact O-CG 3.4Å; P1256-K1258 VanDerWaalsContact C-N 3.33Å; P1256-K1258 PolarHBondContact O-N 3.01Å | ||
| 1259 | M | 56.4 | Low | 69.3 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 135.5 | 152.1 | -71.5 | -162.4 | 61.6 | 0 | 0 | 108.6 | W1239 F1245 M1249 F1257 | W1239-M1259 HydrophobicContact CH2-CE 4.07Å; W1239-M1259 HydrophobicContact CH2-SD 4.26Å; W1239-M1259 HydrophobicContact CZ2-CE 4.4Å; W1239-M1259 HydrophobicContact CZ3-SD 4.48Å; F1245-M1259 HydrophobicContact CE2-CE 4.41Å; M1249-M1259 HydrophobicContact CE-CB 4.1Å; M1249-M1259 HydrophobicContact SD-CB 4.05Å; M1249-M1259 HydrophobicContact SD-CE 4.48Å; M1249-M1259 HydrophobicContact SD-SD 4.48Å; F1257-M1259 PolarHBondContact O-N 3.16Å; F1257-M1259 VanDerWaalsContact O-N 3.12Å |
| 1260 | P | 64.7 | Low | 70 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 132.3 | 179.3 | 26.3 | -33.3 | 0 | 0 | 0 | 109.5 | M1249 | M1249-P1260 WeakPolarHBondContact CE-O 3.01Š|
| 1261 | P | 74.1 | Confident | 70.8 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -60 | 143.1 | -174.5 | 24.8 | -34.6 | 0 | 0 | 0 | 111.5 | T1263 | P1261-T1263 PolarHBondContact O-N 3Š|
| 1262 | L | 85.2 | Confident | 72.1 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | trans | -55.1 | 109.5 | 179.7 | -83 | 167.6 | 0 | 0 | 0 | 111.2 | F1245 L1246 M1249 Q1266 K1267 I1270 L1396 | F1245-L1262 HydrophobicContact CE1-CD1 4.11Å; F1245-L1262 HydrophobicContact CE1-CD2 4.35Å; F1245-L1262 HydrophobicContact CE1-CG 4.49Å; L1246-L1262 HydrophobicContact CD2-CD1 3.64Å; M1249-L1262 HydrophobicContact CB-CD1 4.39Å; M1249-L1262 HydrophobicContact CE-CG 4.45Å; M1249-L1262 HydrophobicContact CG-CD1 4.06Å; M1249-L1262 HydrophobicContact CG-CG 4.29Å; L1262-Q1266 HydrophobicContact CD2-CB 3.83Å; L1262-K1267 HydrophobicContact CB-CG 4.36Å; L1262-I1270 HydrophobicContact CD2-CD1 4.49Å; L1262-L1396 HydrophobicContact CD1-CD2 4.1Å | ||
| 1263 | T | 87.6 | Confident | 74.1 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | trans | -62.6 | 156.1 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | P1261 T1265 Q1266 K1267 | P1261-T1263 PolarHBondContact O-N 3Å; T1263-T1265 PolarHBondContact O-N 3.17Å; T1263-Q1266 PolarHBondContact O-N 2.78Å; T1263-Q1266 VanDerWaalsContact OG1-CG 3.31Å; T1263-Q1266 WeakPolarHBondContact OG1-CG 3.4Å; T1263-Q1266 PolarHBondContact OG1-N 3.39Å; T1263-Q1266 PolarHBondContact OG1-OE1 3.14Å; T1263-K1267 PolarHBondContact O-N 2.82Å | ||
| 1264 | C | 86.6 | Confident | 76.4 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 43% | 0.432 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.2 | -39.4 | 174.7 | -166.4 | 0 | 0 | 0 | 0 | 111.3 | Q1266 K1267 M1268 | C1264-Q1266 PolarHBondContact O-N 3.36Å; C1264-K1267 PolarHBondContact O-N 3.43Å; C1264-M1268 WeakPolarHBondContact O-CB 3.41Å; C1264-M1268 WeakPolarHBondContact O-CG 3.49Å; C1264-M1268 PolarHBondContact O-N 3.4Å |
| 1265 | T | 87.5 | Confident | 79 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 69% | 0.693 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -40.1 | 175.2 | -42.6 | 0 | 0 | 0 | 0 | 112.9 | T1263 S1269 | T1263-T1265 PolarHBondContact O-N 3.17Å; T1265-S1269 WeakPolarHBondContact O-CB 3.31Å; T1265-S1269 PolarHBondContact O-N 2.9Å |
| 1266 | Q | 91.9 | Very high | 81.7 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 174 | -73.7 | 162.4 | -62.1 | 0 | 0 | 111.9 | L1262 T1263 C1264 M1268 S1269 I1270 | L1262-Q1266 HydrophobicContact CD2-CB 3.83Å; T1263-Q1266 PolarHBondContact O-N 2.78Å; T1263-Q1266 VanDerWaalsContact OG1-CG 3.31Å; T1263-Q1266 WeakPolarHBondContact OG1-CG 3.4Å; T1263-Q1266 PolarHBondContact OG1-N 3.39Å; T1263-Q1266 PolarHBondContact OG1-OE1 3.14Å; C1264-Q1266 PolarHBondContact O-N 3.36Å; Q1266-M1268 VanDerWaalsContact C-N 3.33Å; Q1266-M1268 PolarHBondContact O-N 3.42Å; Q1266-S1269 WeakPolarHBondContact O-CB 3.46Å; Q1266-S1269 PolarHBondContact O-N 3.06Å; Q1266-I1270 WeakPolarHBondContact O-CG1 3.24Å; Q1266-I1270 PolarHBondContact O-N 2.95Å |
| 1267 | K | 93.3 | Very high | 84 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 173.8 | -67.4 | -178.8 | 177.4 | -174.6 | 0 | 111.1 | L1262 T1263 C1264 I1270 C1271 V1393 F1394 D1446 | L1262-K1267 HydrophobicContact CB-CG 4.36Å; T1263-K1267 PolarHBondContact O-N 2.82Å; C1264-K1267 PolarHBondContact O-N 3.43Å; K1267-I1270 PolarHBondContact O-N 3.26Å; K1267-C1271 PolarHBondContact O-N 3.34Å; K1267-C1271 VanDerWaalsContact O-N 3.09Å; K1267-C1271 PolarHBondContact O-SG 2.65Å; K1267-V1393 HydrophobicContact CB-CG1 4.07Å; K1267-V1393 HydrophobicContact CG-CG1 4.22Å; K1267-F1394 HydrophobicContact CB-CE1 4.31Å; K1267-F1394 HydrophobicContact CB-CE2 4.06Å; K1267-F1394 HydrophobicContact CB-CZ 3.93Å; K1267-F1394 HydrophobicContact CD-CD1 3.92Å; K1267-F1394 HydrophobicContact CD-CE1 4.02Å; K1267-F1394 HydrophobicContact CD-CG 4.26Å; K1267-F1394 HydrophobicContact CD-CZ 4.46Å; K1267-F1394 PolarHBondContact NZ-O 2.91Å; K1267-D1446 IonicContact NZ-OD2 3.91Å |
| 1268 | M | 93.2 | Very high | 86.6 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.069 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -70.7 | -62.5 | -73.1 | 0 | 0 | 112.9 | C1264 Q1266 C1271 K1272 F1394 L1451 I1476 L1479 A1480 | C1264-M1268 WeakPolarHBondContact O-CB 3.41Å; C1264-M1268 WeakPolarHBondContact O-CG 3.49Å; C1264-M1268 PolarHBondContact O-N 3.4Å; Q1266-M1268 VanDerWaalsContact C-N 3.33Å; Q1266-M1268 PolarHBondContact O-N 3.42Å; M1268-C1271 PolarHBondContact O-N 3.12Å; M1268-K1272 WeakPolarHBondContact O-CB 3.49Å; M1268-K1272 PolarHBondContact O-N 3.27Å; M1268-F1394 HydrophobicContact CG-CZ 4.44Å; M1268-F1394 HydrophobicContact SD-CE2 4.41Å; M1268-F1394 HydrophobicContact SD-CZ 3.98Å; M1268-L1451 HydrophobicContact SD-CD2 3.84Å; M1268-I1476 HydrophobicContact CE-CG2 4.48Å; M1268-L1479 HydrophobicContact CE-CB 3.78Å; M1268-L1479 WeakPolarHBondContact CE-O 3.17Å; M1268-A1480 HydrophobicContact CB-CB 4.26Å; M1268-A1480 HydrophobicContact CE-CB 4.23Å |
| 1269 | S | 92.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | T1265 Q1266 C1271 K1272 Q1273 | T1265-S1269 WeakPolarHBondContact O-CB 3.31Å; T1265-S1269 PolarHBondContact O-N 2.9Å; Q1266-S1269 WeakPolarHBondContact O-CB 3.46Å; Q1266-S1269 PolarHBondContact O-N 3.06Å; S1269-C1271 PolarHBondContact O-N 3.25Å; S1269-K1272 WeakPolarHBondContact O-CB 3.37Å; S1269-K1272 PolarHBondContact O-N 2.96Å; S1269-Q1273 VanDerWaalsContact O-CG 3.3Å; S1269-Q1273 WeakPolarHBondContact O-CG 3.47Å; S1269-Q1273 PolarHBondContact O-N 2.99Å; S1269-Q1273 PolarHBondContact OG-NE2 2.83Å; S1269-Q1273 VanDerWaalsContact OG-NE2 3.08Å |
| 1270 | I | 95.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -49.3 | 175.6 | -70.4 | 166 | 0 | 0 | 0 | 110.3 | L1242 L1262 Q1266 K1267 K1272 Q1273 L1274 V1304 V1393 | L1242-I1270 HydrophobicContact CD1-CD1 4.46Å; L1242-I1270 HydrophobicContact CD1-CG2 4.46Å; L1242-I1270 HydrophobicContact CD2-CG2 4.18Å; L1262-I1270 HydrophobicContact CD2-CD1 4.49Å; Q1266-I1270 WeakPolarHBondContact O-CG1 3.24Å; Q1266-I1270 PolarHBondContact O-N 2.95Å; K1267-I1270 PolarHBondContact O-N 3.26Å; I1270-K1272 VanDerWaalsContact C-N 3.34Å; I1270-K1272 PolarHBondContact O-N 3.3Å; I1270-Q1273 PolarHBondContact O-N 2.73Å; I1270-L1274 HydrophobicContact CG2-CD1 3.95Å; I1270-L1274 WeakPolarHBondContact O-CB 3.24Å; I1270-L1274 VanDerWaalsContact O-CG 3.28Å; I1270-L1274 WeakPolarHBondContact O-CG 3.43Å; I1270-L1274 PolarHBondContact O-N 2.79Å; I1270-V1304 HydrophobicContact CB-CG1 4.42Å; I1270-V1304 HydrophobicContact CG1-CG1 4.37Å; I1270-V1304 HydrophobicContact CG2-CG1 4.01Å; I1270-V1393 HydrophobicContact CG2-CG1 4.23Å; I1270-V1393 HydrophobicContact CG2-CG2 3.9Å |
| 1271 | C | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | K1267 M1268 S1269 A1275 I1476 | K1267-C1271 PolarHBondContact O-N 3.34Å; K1267-C1271 VanDerWaalsContact O-N 3.09Å; K1267-C1271 PolarHBondContact O-SG 2.65Å; M1268-C1271 PolarHBondContact O-N 3.12Å; S1269-C1271 PolarHBondContact O-N 3.25Å; C1271-A1275 PolarHBondContact O-N 2.96Å; C1271-I1476 HydrophobicContact CB-CD1 4.47Å; C1271-I1476 HydrophobicContact CB-CG2 4.2Å |
| 1272 | K | 94.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 32.9 Ų | 32.9 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -47.5 | 177 | 179.8 | -175.3 | 170.7 | -176 | 0 | 112 | M1268 S1269 I1270 A1275 L1276 I1476 | M1268-K1272 WeakPolarHBondContact O-CB 3.49Å; M1268-K1272 PolarHBondContact O-N 3.27Å; S1269-K1272 WeakPolarHBondContact O-CB 3.37Å; S1269-K1272 PolarHBondContact O-N 2.96Å; I1270-K1272 VanDerWaalsContact C-N 3.34Å; I1270-K1272 PolarHBondContact O-N 3.3Å; K1272-A1275 PolarHBondContact O-N 3.42Å; K1272-L1276 HydrophobicContact CG-CD1 4.43Å; K1272-L1276 WeakPolarHBondContact O-CG 3.46Å; K1272-L1276 PolarHBondContact O-N 3.26Å; K1272-I1476 HydrophobicContact CB-CG2 3.92Å |
| 1273 | Q | 96.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | -179.3 | -62.7 | 170.8 | 45 | 0 | 0 | 111.5 | Y1216 S1269 I1270 A1275 L1276 G1277 E1303 V1304 | Y1216-Q1273 HydrophobicContact CD1-CB 3.74Å; Y1216-Q1273 HydrophobicContact CD1-CG 3.97Å; Y1216-Q1273 HydrophobicContact CD2-CB 4.43Å; Y1216-Q1273 HydrophobicContact CE1-CB 3.85Å; Y1216-Q1273 HydrophobicContact CE1-CG 3.53Å; Y1216-Q1273 HydrophobicContact CG-CB 4.05Å; S1269-Q1273 VanDerWaalsContact O-CG 3.3Å; S1269-Q1273 WeakPolarHBondContact O-CG 3.47Å; S1269-Q1273 PolarHBondContact O-N 2.99Å; S1269-Q1273 PolarHBondContact OG-NE2 2.83Å; S1269-Q1273 VanDerWaalsContact OG-NE2 3.08Å; I1270-Q1273 PolarHBondContact O-N 2.73Å; Q1273-A1275 VanDerWaalsContact C-N 3.33Å; Q1273-A1275 PolarHBondContact O-N 2.85Å; Q1273-L1276 PolarHBondContact O-N 3.1Å; Q1273-G1277 PolarHBondContact O-N 3.14Å; Q1273-E1303 VanDerWaalsContact OE1-CA 3.25Å; Q1273-V1304 HydrophobicContact CB-CG2 3.46Å; Q1273-V1304 VanDerWaalsContact CB-CG2 3.46Å |
| 1274 | L | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 173.9 | -73.9 | 170.2 | 0 | 0 | 0 | 112.4 | I1270 G1277 M1278 V1296 V1304 I1306 F1386 L1389 | I1270-L1274 HydrophobicContact CG2-CD1 3.95Å; I1270-L1274 WeakPolarHBondContact O-CB 3.24Å; I1270-L1274 VanDerWaalsContact O-CG 3.28Å; I1270-L1274 WeakPolarHBondContact O-CG 3.43Å; I1270-L1274 PolarHBondContact O-N 2.79Å; L1274-G1277 PolarHBondContact O-N 3.04Å; L1274-M1278 WeakPolarHBondContact O-CG 3.43Å; L1274-M1278 PolarHBondContact O-N 3.27Å; L1274-V1296 HydrophobicContact CD2-CG1 3.91Å; L1274-V1296 HydrophobicContact CD2-CG2 3.76Å; L1274-V1304 HydrophobicContact CD2-CB 4.34Å; L1274-V1304 HydrophobicContact CD2-CG2 4.04Å; L1274-V1304 HydrophobicContact CG-CG1 4.43Å; L1274-V1304 HydrophobicContact CG-CG2 4.15Å; L1274-I1306 HydrophobicContact CD2-CD1 4.31Å; L1274-I1306 HydrophobicContact CD2-CG1 3.98Å; L1274-F1386 HydrophobicContact CB-CE2 3.93Å; L1274-L1389 HydrophobicContact CD1-CD2 3.85Å; L1274-L1389 HydrophobicContact CD1-CG 4.07Å; L1274-L1389 HydrophobicContact CD2-CD2 4.22Å |
| 1275 | A | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1271 K1272 Q1273 M1278 D1279 F1386 I1472 A1473 I1476 | C1271-A1275 PolarHBondContact O-N 2.96Å; K1272-A1275 PolarHBondContact O-N 3.42Å; Q1273-A1275 VanDerWaalsContact C-N 3.33Å; Q1273-A1275 PolarHBondContact O-N 2.85Å; A1275-M1278 PolarHBondContact O-N 2.85Å; A1275-D1279 WeakPolarHBondContact O-CB 3.41Å; A1275-D1279 PolarHBondContact O-N 2.77Å; A1275-F1386 HydrophobicContact CB-CE2 4.22Å; A1275-F1386 HydrophobicContact CB-CZ 4.07Å; A1275-I1472 HydrophobicContact CB-CG2 3.86Å; A1275-A1473 HydrophobicContact CB-CB 3.9Å; A1275-I1476 HydrophobicContact CB-CD1 4.46Å |
| 1276 | L | 96.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.6 | -67.7 | 168.6 | 0 | 0 | 0 | 112.2 | Y1216 K1272 Q1273 M1278 D1279 Y1280 A1473 | Y1216-L1276 HydrophobicContact CD2-CB 4.02Å; Y1216-L1276 HydrophobicContact CD2-CD1 4.45Å; Y1216-L1276 HydrophobicContact CE2-CB 4.38Å; Y1216-L1276 HydrophobicContact CE2-CD1 3.97Å; K1272-L1276 HydrophobicContact CG-CD1 4.43Å; K1272-L1276 WeakPolarHBondContact O-CG 3.46Å; K1272-L1276 PolarHBondContact O-N 3.26Å; Q1273-L1276 PolarHBondContact O-N 3.1Å; L1276-M1278 PolarHBondContact O-N 2.61Å; L1276-D1279 PolarHBondContact O-N 3.16Å; L1276-Y1280 PolarHBondContact O-N 3.06Å; L1276-Y1280 VanDerWaalsContact O-N 3.11Å; L1276-A1473 HydrophobicContact CD2-CB 4.06Å |
| 1277 | G | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1273 L1274 L1281 | Q1273-G1277 PolarHBondContact O-N 3.14Å; L1274-G1277 PolarHBondContact O-N 3.04Å; G1277-L1281 WeakPolarHBondContact O-CG 3.37Å; G1277-L1281 PolarHBondContact O-N 3.11Å; G1277-L1281 VanDerWaalsContact O-N 3.15Å |
| 1278 | M | 95.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.5 | -31.4 | 175.9 | -72.7 | -56 | -55.5 | 0 | 0 | 113.4 | L1274 A1275 L1276 L1281 A1282 H1288 L1291 I1306 D1382 F1469 | L1274-M1278 WeakPolarHBondContact O-CG 3.43Å; L1274-M1278 PolarHBondContact O-N 3.27Å; A1275-M1278 PolarHBondContact O-N 2.85Å; L1276-M1278 PolarHBondContact O-N 2.61Å; M1278-L1281 PolarHBondContact O-N 3.46Å; M1278-L1281 HydrophobicContact SD-CD1 4.02Å; M1278-A1282 WeakPolarHBondContact O-CB 3.31Å; M1278-A1282 PolarHBondContact O-N 3.16Å; M1278-H1288 HydrophobicContact CE-CB 4.12Å; M1278-H1288 HydrophobicContact SD-CB 4.48Å; M1278-L1291 HydrophobicContact CE-CD2 4.14Å; M1278-L1291 HydrophobicContact CG-CD2 4.04Å; M1278-L1291 HydrophobicContact SD-CD1 4.01Å; M1278-L1291 HydrophobicContact SD-CD2 3.89Å; M1278-I1306 HydrophobicContact CG-CD1 3.82Å; M1278-I1306 HydrophobicContact SD-CD1 3.97Å; M1278-I1306 HydrophobicContact SD-CG2 4.36Å; M1278-D1382 HydrophobicContact CE-CB 3.92Å; M1278-F1469 HydrophobicContact CB-CB 4.38Å; M1278-F1469 HydrophobicContact CB-CD1 3.44Å; M1278-F1469 VanDerWaalsContact CB-CD1 3.44Å; M1278-F1469 HydrophobicContact CB-CD2 3.91Å; M1278-F1469 HydrophobicContact CB-CE1 3.53Å; M1278-F1469 HydrophobicContact CB-CE2 3.99Å; M1278-F1469 HydrophobicContact CB-CG 3.65Å; M1278-F1469 HydrophobicContact CB-CZ 3.81Å; M1278-F1469 HydrophobicContact CE-CD2 4.43Å; M1278-F1469 HydrophobicContact CE-CE1 4.49Å; M1278-F1469 HydrophobicContact CE-CE2 3.65Å; M1278-F1469 HydrophobicContact CE-CZ 3.69Å; M1278-F1469 HydrophobicContact CG-CD1 4.3Å; M1278-F1469 HydrophobicContact CG-CE1 3.91Å; M1278-F1469 HydrophobicContact CG-CZ 4.05Å |
| 1279 | D | 95.3 | Very high | 90.5 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 174.1 | -167 | 42.7 | 0 | 0 | 0 | 111.4 | A1275 L1276 L1281 A1282 H1283 F1469 S1470 | A1275-D1279 WeakPolarHBondContact O-CB 3.41Å; A1275-D1279 PolarHBondContact O-N 2.77Å; L1276-D1279 PolarHBondContact O-N 3.16Å; D1279-L1281 PolarHBondContact O-N 3.49Å; D1279-A1282 PolarHBondContact O-N 3.27Å; D1279-H1283 WeakPolarHBondContact O-CB 3.39Å; D1279-H1283 PolarHBondContact O-N 2.78Å; D1279-F1469 HydrophobicContact CB-CB 3.9Å; D1279-S1470 VanDerWaalsContact OD1-CA 3.3Å; D1279-S1470 WeakPolarHBondContact OD1-CA 3.43Å; D1279-S1470 VanDerWaalsContact OD1-CB 3.24Å; D1279-S1470 WeakPolarHBondContact OD1-CB 3.4Å; D1279-S1470 PolarHBondContact OD1-N 2.8Å; D1279-S1470 PolarHBondContact OD1-OG 2.57Å |
| 1280 | Y | 93.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 171.8 | 175.4 | -96.3 | 0 | 0 | 0 | 112.2 | Q1211 S1212 D1213 H1214 V1217 L1276 A1282 H1283 M1284 | Q1211-Y1280 PolarHBondContact O-OH 2.92Å; S1212-Y1280 WeakPolarHBondContact CA-OH 2.8Å; D1213-Y1280 PolarHBondContact N-OH 2.92Å; H1214-Y1280 HydrophobicContact CB-CD1 3.68Å; H1214-Y1280 HydrophobicContact CB-CD2 3.88Å; H1214-Y1280 HydrophobicContact CB-CE1 3.74Å; H1214-Y1280 HydrophobicContact CB-CE2 3.94Å; H1214-Y1280 HydrophobicContact CB-CG 3.75Å; H1214-Y1280 AromaticContact CD2-CD2 3.78Å; H1214-Y1280 AromaticContact CD2-CG 3.8Å; H1214-Y1280 AromaticContact CG-CD1 3.95Å; H1214-Y1280 AromaticContact CG-CD2 3.91Å; H1214-Y1280 AromaticContact CG-CG 3.62Å; V1217-Y1280 HydrophobicContact CG2-CD1 4.13Å; L1276-Y1280 PolarHBondContact O-N 3.06Å; L1276-Y1280 VanDerWaalsContact O-N 3.11Å; Y1280-A1282 VanDerWaalsContact C-N 3.34Å; Y1280-A1282 PolarHBondContact O-N 2.91Å; Y1280-H1283 PolarHBondContact O-N 2.84Å; Y1280-M1284 HydrophobicContact CD1-CG 4.42Å; Y1280-M1284 HydrophobicContact CE1-CG 3.96Å; Y1280-M1284 HydrophobicContact CE2-CG 4.15Å; Y1280-M1284 WeakPolarHBondContact O-CG 3.2Å; Y1280-M1284 PolarHBondContact O-N 3.41Å |
| 1281 | L | 90.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.6 | -72.8 | 173.4 | 0 | 0 | 0 | 112 | V1217 G1277 M1278 D1279 M1284 H1285 C1286 I1306 | V1217-L1281 HydrophobicContact CG1-CD2 4.31Å; V1217-L1281 HydrophobicContact CG2-CD1 4.36Å; V1217-L1281 HydrophobicContact CG2-CD2 4.45Å; V1217-L1281 HydrophobicContact CG2-CG 4.14Å; G1277-L1281 WeakPolarHBondContact O-CG 3.37Å; G1277-L1281 PolarHBondContact O-N 3.11Å; G1277-L1281 VanDerWaalsContact O-N 3.15Å; M1278-L1281 PolarHBondContact O-N 3.46Å; M1278-L1281 HydrophobicContact SD-CD1 4.02Å; D1279-L1281 PolarHBondContact O-N 3.49Å; L1281-M1284 CarbonylContact O-C 3.57Å; L1281-M1284 PolarHBondContact O-N 2.84Å; L1281-H1285 PolarHBondContact O-N 2.82Å; L1281-C1286 HydrophobicContact CB-CB 4.26Å; L1281-C1286 HydrophobicContact CD2-CB 4.19Å; L1281-C1286 WeakPolarHBondContact O-CA 3.35Å; L1281-C1286 VanDerWaalsContact O-CB 3.29Å; L1281-C1286 WeakPolarHBondContact O-CB 3.32Å; L1281-C1286 PolarHBondContact O-N 2.62Å; L1281-I1306 HydrophobicContact CD1-CG2 3.98Å |
| 1282 | A | 88.6 | Confident | 90.1 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1278 D1279 Y1280 M1284 H1285 T1379 F1469 | M1278-A1282 WeakPolarHBondContact O-CB 3.31Å; M1278-A1282 PolarHBondContact O-N 3.16Å; D1279-A1282 PolarHBondContact O-N 3.27Å; Y1280-A1282 VanDerWaalsContact C-N 3.34Å; Y1280-A1282 PolarHBondContact O-N 2.91Å; A1282-M1284 VanDerWaalsContact C-N 3.35Å; A1282-H1285 WeakPolarHBondContact O-CA 3.29Å; A1282-H1285 PolarHBondContact O-N 2.81Å; A1282-T1379 HydrophobicContact CB-CG2 3.75Å; A1282-F1469 HydrophobicContact CB-CD2 4.27Å |
| 1283 | H | 83.8 | Confident | 90 | Very high | 155 Ų | 155 | 38.7 Ų | 38.7 | 72% | 0.718 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64.3 | -38.8 | 174.3 | -167.9 | 93.3 | 0 | 0 | 0 | 112 | D1279 Y1280 H1285 | D1279-H1283 WeakPolarHBondContact O-CB 3.39Å; D1279-H1283 PolarHBondContact O-N 2.78Å; Y1280-H1283 PolarHBondContact O-N 2.84Å; H1283-H1285 PolarHBondContact O-N 3.3Å; H1283-H1285 VanDerWaalsContact O-N 3.13Å |
| 1284 | M | 81.4 | Confident | 89.7 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 40% | 0.399 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 8.5 | 171.5 | -65.7 | -62.7 | -72.9 | 0 | 0 | 113.5 | Q1211 Y1280 L1281 A1282 C1286 | Q1211-M1284 HydrophobicContact CB-CE 3.99Å; Y1280-M1284 HydrophobicContact CD1-CG 4.42Å; Y1280-M1284 HydrophobicContact CE1-CG 3.96Å; Y1280-M1284 HydrophobicContact CE2-CG 4.15Å; Y1280-M1284 WeakPolarHBondContact O-CG 3.2Å; Y1280-M1284 PolarHBondContact O-N 3.41Å; L1281-M1284 CarbonylContact O-C 3.57Å; L1281-M1284 PolarHBondContact O-N 2.84Å; A1282-M1284 VanDerWaalsContact C-N 3.35Å; M1284-C1286 PolarHBondContact O-N 3.08Å |
| 1285 | H | 75.3 | Confident | 89.3 | Confident | 174 Ų | 174 | 38.6 Ų | 38.6 | 81% | 0.806 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 26.8 | -176.4 | -57.5 | -33.9 | 0 | 0 | 0 | 114.3 | L1281 A1282 H1283 | L1281-H1285 PolarHBondContact O-N 2.82Å; A1282-H1285 WeakPolarHBondContact O-CA 3.29Å; A1282-H1285 PolarHBondContact O-N 2.81Å; H1283-H1285 PolarHBondContact O-N 3.3Å; H1283-H1285 VanDerWaalsContact O-N 3.13Å |
| 1286 | C | 78.6 | Confident | 89.1 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -86.9 | 150.8 | 174.6 | -160.9 | 0 | 0 | 0 | 0 | 111.3 | L1281 M1284 | L1281-C1286 HydrophobicContact CB-CB 4.26Å; L1281-C1286 HydrophobicContact CD2-CB 4.19Å; L1281-C1286 WeakPolarHBondContact O-CA 3.35Å; L1281-C1286 VanDerWaalsContact O-CB 3.29Å; L1281-C1286 WeakPolarHBondContact O-CB 3.32Å; L1281-C1286 PolarHBondContact O-N 2.62Å; M1284-C1286 PolarHBondContact O-N 3.08Å | ||
| 1287 | V | 84 | Confident | 88.8 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | trans | -130.5 | 125.4 | 174.7 | -179 | 0 | 0 | 0 | 0 | 107.3 | R1289 D1382 | V1287-R1289 HydrophobicContact CG1-CG 3.98Å; V1287-D1382 WeakPolarHBondContact CA-OD2 3.44Å; V1287-D1382 VanDerWaalsContact CG1-OD2 3.27Å; V1287-D1382 WeakPolarHBondContact CG1-OD2 2.89Å | ||
| 1288 | H | 87.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | trans | -76.5 | -40.9 | -169.4 | -163.1 | -92.9 | 0 | 0 | 0 | 112.3 | M1278 D1290 L1291 S1307 D1382 | M1278-H1288 HydrophobicContact CE-CB 4.12Å; M1278-H1288 HydrophobicContact SD-CB 4.48Å; H1288-D1290 PolarHBondContact CE1-O 3.19Å; H1288-D1290 VanDerWaalsContact CE1-O 3.3Å; H1288-D1290 VanDerWaalsContact ND1-C 3.33Å; H1288-D1290 PolarHBondContact ND1-O 2.83Å; H1288-D1290 PolarHBondContact O-N 3.14Å; H1288-L1291 PolarHBondContact ND1-N 3.22Å; H1288-S1307 PolarHBondContact NE2-O 3.41Å; H1288-D1382 PolarHBondContact N-OD2 2.91Å | ||
| 1289 | R | 86.9 | Confident | 88.4 | Confident | 113 Ų | 113 | 37.3 Ų | 37.3 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 72 | -22.5 | 174.9 | -43.8 | -175.7 | -174.5 | -177.4 | 1.4 | 116.2 | V1287 Y1377 D1382 | V1287-R1289 HydrophobicContact CG1-CG 3.98Å; R1289-Y1377 HydrophobicContact CB-CD1 3.59Å; R1289-Y1377 HydrophobicContact CB-CD2 4.11Å; R1289-Y1377 HydrophobicContact CB-CE1 3.73Å; R1289-Y1377 HydrophobicContact CB-CE2 4.21Å; R1289-Y1377 HydrophobicContact CB-CG 3.78Å; R1289-Y1377 HydrophobicContact CG-CD1 3.92Å; R1289-Y1377 HydrophobicContact CG-CD2 3.91Å; R1289-Y1377 HydrophobicContact CG-CE1 4.48Å; R1289-Y1377 HydrophobicContact CG-CE2 4.45Å; R1289-Y1377 HydrophobicContact CG-CG 3.6Å; R1289-Y1377 WeakPolarHBondContact O-CE1 3.43Å; R1289-D1382 PolarHBondContact N-OD1 2.77Å |
| 1290 | D | 87.8 | Confident | 87.7 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | trans | -140.6 | 60.1 | 177.9 | -165.7 | -3.8 | 0 | 0 | 0 | 110.4 | H1288 A1292 R1294 N1295 R1313 Y1320 | H1288-D1290 PolarHBondContact CE1-O 3.19Å; H1288-D1290 VanDerWaalsContact CE1-O 3.3Å; H1288-D1290 VanDerWaalsContact ND1-C 3.33Å; H1288-D1290 PolarHBondContact ND1-O 2.83Å; H1288-D1290 PolarHBondContact O-N 3.14Å; D1290-A1292 PolarHBondContact O-N 2.89Å; D1290-R1294 IonicContact OD1-CZ 3.52Å; D1290-R1294 IonicContact OD1-NE 2.7Å; D1290-R1294 IonicContact OD1-NH2 3.53Å; D1290-R1294 PolarHBondContact OD1-NH2 2.77Å; D1290-N1295 PolarHBondContact O-ND2 3.45Å; D1290-R1313 IonicContact OD2-NH2 2.68Å; D1290-Y1320 PolarHBondContact OD1-OH 3.04Å; D1290-Y1320 VanDerWaalsContact OD2-CE1 3.24Å; D1290-Y1320 WeakPolarHBondContact OD2-CE1 3.38Å; D1290-Y1320 PolarHBondContact OD2-OH 3.31Å | ||
| 1291 | L | 93.4 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -84.2 | 108.7 | 179.8 | -177.4 | 63.6 | 0 | 0 | 0 | 110.6 | M1278 H1288 A1385 F1386 L1389 | M1278-L1291 HydrophobicContact CE-CD2 4.14Å; M1278-L1291 HydrophobicContact CG-CD2 4.04Å; M1278-L1291 HydrophobicContact SD-CD1 4.01Å; M1278-L1291 HydrophobicContact SD-CD2 3.89Å; H1288-L1291 PolarHBondContact ND1-N 3.22Å; L1291-A1385 HydrophobicContact CB-CB 4.09Å; L1291-F1386 HydrophobicContact CD2-CB 3.89Å; L1291-F1386 HydrophobicContact CD2-CD2 4.45Å; L1291-L1389 HydrophobicContact CD1-CD2 3.92Å; L1291-L1389 HydrophobicContact CG-CD2 4Å | ||
| 1292 | A | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -157.4 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D1290 R1294 N1295 W1334 | D1290-A1292 PolarHBondContact O-N 2.89Å; A1292-R1294 HydrophobicContact CB-CG 4.08Å; A1292-R1294 PolarHBondContact O-N 3.41Å; A1292-R1294 VanDerWaalsContact O-N 3.13Å; A1292-N1295 PolarHBondContact O-N 3.4Å; A1292-W1334 HydrophobicContact CB-CD2 4.11Å; A1292-W1334 HydrophobicContact CB-CG 4.14Å; A1292-W1334 HydrophobicContact CB-CZ2 4.32Å |
| 1293 | A | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.5 | -28.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1242 K1243 N1295 V1296 L1389 E1392 | L1242-A1293 HydrophobicContact CG-CB 4.48Å; K1243-A1293 HydrophobicContact CB-CB 3.79Å; K1243-A1293 HydrophobicContact CG-CB 4.09Å; K1243-A1293 PolarHBondContact N-O 3.41Å; A1293-N1295 PolarHBondContact O-N 2.7Å; A1293-V1296 PolarHBondContact O-N 3.3Å; A1293-L1389 HydrophobicContact CB-CD1 3.79Å; A1293-E1392 HydrophobicContact CB-CB 4.14Å; A1293-E1392 PolarHBondContact N-OE2 3.12Å |
| 1294 | R | 90.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -64.9 | -19.3 | 174.7 | 57.2 | 179.1 | 178 | -82.2 | -18.7 | 114.6 | K1243 D1290 A1292 Y1316 E1319 Y1320 W1334 | K1243-R1294 HydrophobicContact CD-CB 4.34Å; D1290-R1294 IonicContact OD1-CZ 3.52Å; D1290-R1294 IonicContact OD1-NE 2.7Å; D1290-R1294 IonicContact OD1-NH2 3.53Å; D1290-R1294 PolarHBondContact OD1-NH2 2.77Å; A1292-R1294 HydrophobicContact CB-CG 4.08Å; A1292-R1294 PolarHBondContact O-N 3.41Å; A1292-R1294 VanDerWaalsContact O-N 3.13Å; R1294-Y1316 HydrophobicContact CB-CD2 3.51Å; R1294-Y1316 HydrophobicContact CB-CE2 3.49Å; R1294-Y1316 VanDerWaalsContact CB-CE2 3.49Å; R1294-Y1316 HydrophobicContact CB-CG 4.34Å; R1294-Y1316 HydrophobicContact CG-CD2 4.32Å; R1294-E1319 IonicContact CZ-OE2 3.12Å; R1294-E1319 IonicContact NH1-OE2 2.69Å; R1294-E1319 PolarHBondContact NH1-OE2 2.97Å; R1294-Y1320 PolarHBondContact NE-OH 3.38Å; R1294-W1334 VanDerWaalsContact NH1-CZ3 3.26Å |
| 1295 | N | 88.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -108.5 | 20.5 | -176.4 | -69.2 | -14.8 | 0 | 0 | 0 | 111.8 | D1290 A1292 A1293 S1307 L1309 | D1290-N1295 PolarHBondContact O-ND2 3.45Å; A1292-N1295 PolarHBondContact O-N 3.4Å; A1293-N1295 PolarHBondContact O-N 2.7Å; N1295-S1307 PolarHBondContact O-N 3.49Å; N1295-S1307 VanDerWaalsContact O-N 3.13Å; N1295-L1309 PolarHBondContact OD1-O 3.24Å |
| 1296 | V | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.7 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | D1241 L1242 L1274 A1293 V1304 L1389 | D1241-V1296 CarbonylContact C-O 3.48Å; D1241-V1296 WeakPolarHBondContact CA-O 3.4Å; L1242-V1296 HydrophobicContact CB-CB 4.02Å; L1242-V1296 HydrophobicContact CB-CG1 4.12Å; L1242-V1296 WeakPolarHBondContact CB-O 3.41Å; L1242-V1296 HydrophobicContact CD2-CB 4.06Å; L1242-V1296 HydrophobicContact CD2-CG1 3.89Å; L1242-V1296 PolarHBondContact N-O 3.12Å; L1274-V1296 HydrophobicContact CD2-CG1 3.91Å; L1274-V1296 HydrophobicContact CD2-CG2 3.76Å; A1293-V1296 PolarHBondContact O-N 3.3Å; V1296-V1304 HydrophobicContact CG1-CB 3.9Å; V1296-V1304 HydrophobicContact CG1-CG1 4.36Å; V1296-L1389 HydrophobicContact CG2-CD2 4.34Å |
| 1297 | L | 91.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 163.5 | 173.9 | -57 | -179.4 | 0 | 0 | 0 | 111.6 | C1237 G1240 D1241 V1304 K1305 L1309 | C1237-L1297 HydrophobicContact CB-CB 3.75Å; C1237-L1297 HydrophobicContact CB-CD1 4.08Å; G1240-L1297 VanDerWaalsContact O-CA 3.28Å; G1240-L1297 WeakPolarHBondContact O-CA 3.41Å; D1241-L1297 HydrophobicContact CB-CD2 4.32Å; L1297-V1304 WeakPolarHBondContact O-CA 3.25Å; L1297-K1305 HydrophobicContact CB-CB 4.2Å; L1297-K1305 PolarHBondContact N-O 3.43Å; L1297-K1305 PolarHBondContact O-N 3.44Å; L1297-L1309 HydrophobicContact CD1-CD1 3.69Å; L1297-L1309 HydrophobicContact CG-CD1 4.37Å |
| 1298 | L | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.8 | 178.6 | -76.1 | 173.1 | 0 | 0 | 0 | 112.5 | C1237 E1238 W1239 G1240 L1242 F1245 E1303 V1304 | C1237-L1298 WeakPolarHBondContact CB-O 3.4Å; E1238-L1298 PolarHBondContact N-O 3.12Å; W1239-L1298 HydrophobicContact CB-CB 3.8Å; W1239-L1298 PolarHBondContact N-O 2.76Å; W1239-L1298 VanDerWaalsContact N-O 3.17Å; G1240-L1298 PolarHBondContact O-N 3.4Å; L1242-L1298 HydrophobicContact CB-CD1 4.38Å; L1242-L1298 HydrophobicContact CB-CG 4.41Å; L1242-L1298 HydrophobicContact CD1-CD1 3.84Å; L1242-L1298 HydrophobicContact CD1-CD2 4.46Å; L1242-L1298 HydrophobicContact CD1-CG 4.35Å; F1245-L1298 HydrophobicContact CB-CD1 3.88Å; F1245-L1298 HydrophobicContact CD1-CD1 3.55Å; F1245-L1298 HydrophobicContact CD2-CD1 4.28Å; F1245-L1298 HydrophobicContact CE1-CD1 4.13Å; F1245-L1298 HydrophobicContact CG-CD1 3.64Å; L1298-E1303 WeakPolarHBondContact CA-O 3.48Å; L1298-V1304 HydrophobicContact CD2-CG1 4.01Å |
| 1299 | T | 89.5 | Confident | 87.3 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | trans | -75.1 | 161.2 | 169.4 | 77.3 | 0 | 0 | 0 | 0 | 110.8 | E1238 G1301 L1302 E1303 K1305 | E1238-T1299 WeakPolarHBondContact OE2-CA 3.42Å; T1299-G1301 PolarHBondContact O-N 2.71Å; T1299-G1301 PolarHBondContact OG1-N 3.21Å; T1299-L1302 PolarHBondContact O-N 3.3Å; T1299-E1303 HydrophobicContact CG2-CB 4.17Å; T1299-E1303 PolarHBondContact N-O 3.09Å; T1299-E1303 WeakPolarHBondContact OG1-CB 3.4Å; T1299-E1303 PolarHBondContact OG1-N 3.47Å; T1299-E1303 PolarHBondContact OG1-OE2 3.22Å; T1299-K1305 HydrophobicContact CG2-CG 4.16Å | ||
| 1300 | Q | 81.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 21.8 Ų | 21.8 | 54% | 0.542 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -31.2 | 176.1 | -170.6 | 177 | 8.1 | 0 | 0 | 113.4 | E1238 W1239 L1302 | E1238-Q1300 HydrophobicContact CB-CB 4.44Å; E1238-Q1300 HydrophobicContact CG-CB 4.37Å; E1238-Q1300 PolarHBondContact OE2-N 2.76Å; W1239-Q1300 PolarHBondContact NE1-O 3.19Å; Q1300-L1302 VanDerWaalsContact C-N 3.27Å; Q1300-L1302 PolarHBondContact O-N 3.35Å |
| 1301 | G | 83.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 22.6 Ų | 22.6 | 61% | 0.608 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 0.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1299 E1303 | T1299-G1301 PolarHBondContact O-N 2.71Å; T1299-G1301 PolarHBondContact OG1-N 3.21Å; G1301-E1303 VanDerWaalsContact C-N 3.31Å |
| 1302 | L | 88.1 | Confident | 81.5 | Confident | 40 Ų | 40 | 23.4 Ų | 23.4 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 63.5 | 33.3 | -167.2 | -53 | 175.1 | 0 | 0 | 0 | 113.2 | F1245 T1299 Q1300 | F1245-L1302 HydrophobicContact CE1-CD2 4.11Å; F1245-L1302 HydrophobicContact CE2-CD2 4.16Å; F1245-L1302 HydrophobicContact CZ-CD2 3.57Å; T1299-L1302 PolarHBondContact O-N 3.3Å; Q1300-L1302 VanDerWaalsContact C-N 3.27Å; Q1300-L1302 PolarHBondContact O-N 3.35Å |
| 1303 | E | 92.8 | Very high | 79.6 | Confident | 102 Ų | 102 | 26.7 Ų | 26.7 | 48% | 0.477 | 15% | 0.15 | S | C | . | . | trans | -90 | 138.2 | 171.5 | -51.3 | 158.4 | 133.9 | 0 | 0 | 109.2 | Q1273 L1298 T1299 G1301 | Q1273-E1303 VanDerWaalsContact OE1-CA 3.25Å; L1298-E1303 WeakPolarHBondContact CA-O 3.48Å; T1299-E1303 HydrophobicContact CG2-CB 4.17Å; T1299-E1303 PolarHBondContact N-O 3.09Å; T1299-E1303 WeakPolarHBondContact OG1-CB 3.4Å; T1299-E1303 PolarHBondContact OG1-N 3.47Å; T1299-E1303 PolarHBondContact OG1-OE2 3.22Å; G1301-E1303 VanDerWaalsContact C-N 3.31Å | ||
| 1304 | V | 94.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.3 | -178 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | Y1216 I1270 Q1273 L1274 V1296 L1297 L1298 | Y1216-V1304 WeakPolarHBondContact CA-O 3.47Å; Y1216-V1304 HydrophobicContact CD1-CG2 4.25Å; I1270-V1304 HydrophobicContact CB-CG1 4.42Å; I1270-V1304 HydrophobicContact CG1-CG1 4.37Å; I1270-V1304 HydrophobicContact CG2-CG1 4.01Å; Q1273-V1304 HydrophobicContact CB-CG2 3.46Å; Q1273-V1304 VanDerWaalsContact CB-CG2 3.46Å; L1274-V1304 HydrophobicContact CD2-CB 4.34Å; L1274-V1304 HydrophobicContact CD2-CG2 4.04Å; L1274-V1304 HydrophobicContact CG-CG1 4.43Å; L1274-V1304 HydrophobicContact CG-CG2 4.15Å; V1296-V1304 HydrophobicContact CG1-CB 3.9Å; V1296-V1304 HydrophobicContact CG1-CG1 4.36Å; L1297-V1304 WeakPolarHBondContact O-CA 3.25Å; L1298-V1304 HydrophobicContact CD2-CG1 4.01Å |
| 1305 | K | 92.4 | Very high | 76.1 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 106.4 | 171 | -67.4 | -70.1 | -167.1 | 160.3 | 0 | 109.2 | D1215 E1235 L1297 T1299 | D1215-K1305 VanDerWaalsContact O-CD 3.27Å; D1215-K1305 WeakPolarHBondContact O-CD 3.44Å; D1215-K1305 WeakPolarHBondContact O-CE 3.43Å; D1215-K1305 PolarHBondContact O-NZ 3.05Å; E1235-K1305 VanDerWaalsContact CD-NZ 3.34Å; E1235-K1305 WeakPolarHBondContact OE1-CD 3.41Å; E1235-K1305 VanDerWaalsContact OE1-CE 3.25Å; E1235-K1305 WeakPolarHBondContact OE1-CE 3.3Å; E1235-K1305 IonicContact OE1-NZ 2.7Å; E1235-K1305 PolarHBondContact OE1-NZ 2.88Å; E1235-K1305 IonicContact OE2-NZ 3.19Å; E1235-K1305 PolarHBondContact OE2-NZ 2.83Å; L1297-K1305 HydrophobicContact CB-CB 4.2Å; L1297-K1305 PolarHBondContact N-O 3.43Å; L1297-K1305 PolarHBondContact O-N 3.44Å; T1299-K1305 HydrophobicContact CG2-CG 4.16Å |
| 1306 | I | 92.2 | Very high | 75.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.2 | 174.8 | -58.9 | 178.6 | 0 | 0 | 0 | 108.9 | Y1216 T1218 L1274 M1278 L1281 | Y1216-I1306 PolarHBondContact O-N 3.07Å; T1218-I1306 PolarHBondContact N-O 3.12Å; T1218-I1306 PolarHBondContact OG1-O 3.1Å; L1274-I1306 HydrophobicContact CD2-CD1 4.31Å; L1274-I1306 HydrophobicContact CD2-CG1 3.98Å; M1278-I1306 HydrophobicContact CG-CD1 3.82Å; M1278-I1306 HydrophobicContact SD-CD1 3.97Å; M1278-I1306 HydrophobicContact SD-CG2 4.36Å; L1281-I1306 HydrophobicContact CD1-CG2 3.98Å |
| 1307 | S | 83.8 | Confident | 74 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | trans | -152.8 | 142.9 | -172.9 | -137.9 | 0 | 0 | 0 | 0 | 113.8 | T1218 H1288 N1295 L1309 | T1218-S1307 WeakPolarHBondContact CB-OG 3.18Å; T1218-S1307 WeakPolarHBondContact OG1-CB 3.24Å; T1218-S1307 PolarHBondContact OG1-OG 3.4Å; H1288-S1307 PolarHBondContact NE2-O 3.41Å; N1295-S1307 PolarHBondContact O-N 3.49Å; N1295-S1307 VanDerWaalsContact O-N 3.13Å; S1307-L1309 PolarHBondContact O-N 2.8Å; S1307-L1309 WeakPolarHBondContact OG-CD1 3.32Å; S1307-L1309 VanDerWaalsContact OG-CG 3.22Å; S1307-L1309 WeakPolarHBondContact OG-CG 3.38Å | ||
| 1308 | S | 72 | Confident | 73.1 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | trans | -75.8 | 24.8 | 171.3 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | F1209 G1310 | F1209-S1308 WeakPolarHBondContact CE2-OG 3.2Å; F1209-S1308 WeakPolarHBondContact CZ-OG 3.15Å; S1308-G1310 PolarHBondContact O-N 2.89Å | ||
| 1309 | L | 54.7 | Low | 72.5 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | trans | -83.1 | 76.1 | -164.3 | -79.9 | 177 | 0 | 0 | 0 | 113 | L1187 L1234 N1295 L1297 S1307 L1311 | L1187-L1309 HydrophobicContact CD2-CD2 4.46Å; L1234-L1309 HydrophobicContact CD1-CD1 4.44Å; L1234-L1309 HydrophobicContact CD1-CD2 3.95Å; N1295-L1309 PolarHBondContact OD1-O 3.24Å; L1297-L1309 HydrophobicContact CD1-CD1 3.69Å; L1297-L1309 HydrophobicContact CG-CD1 4.37Å; S1307-L1309 PolarHBondContact O-N 2.8Å; S1307-L1309 WeakPolarHBondContact OG-CD1 3.32Å; S1307-L1309 VanDerWaalsContact OG-CG 3.22Å; S1307-L1309 WeakPolarHBondContact OG-CG 3.38Å; L1309-L1311 HydrophobicContact CB-CD1 4.09Å; L1309-L1311 HydrophobicContact CB-CG 3.89Å; L1309-L1311 HydrophobicContact CD1-CD1 4Å; L1309-L1311 HydrophobicContact CD2-CD1 4Å; L1309-L1311 HydrophobicContact CD2-CD2 3.92Å; L1309-L1311 HydrophobicContact CD2-CG 3.78Å; L1309-L1311 HydrophobicContact CG-CD1 4.24Å; L1309-L1311 HydrophobicContact CG-CG 4.27Å; L1309-L1311 PolarHBondContact O-N 2.75Å | ||
| 1310 | G | 52.4 | Low | 72.2 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -63.2 | 31.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1308 A1312 R1313 | S1308-G1310 PolarHBondContact O-N 2.89Å; G1310-A1312 PolarHBondContact O-N 3.01Å; G1310-R1313 PolarHBondContact O-N 3.45Å |
| 1311 | L | 47.3 | Very low | 72.4 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.199 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -56.8 | -24.7 | 172.1 | -63.6 | -179.4 | 0 | 0 | 0 | 113.2 | V1169 L1187 L1309 | V1169-L1311 HydrophobicContact CB-CD2 3.77Å; V1169-L1311 HydrophobicContact CG1-CD2 3.63Å; V1169-L1311 HydrophobicContact CG2-CD2 3.2Å; L1187-L1311 HydrophobicContact CD1-CD1 4.02Å; L1309-L1311 HydrophobicContact CB-CD1 4.09Å; L1309-L1311 HydrophobicContact CB-CG 3.89Å; L1309-L1311 HydrophobicContact CD1-CD1 4Å; L1309-L1311 HydrophobicContact CD2-CD1 4Å; L1309-L1311 HydrophobicContact CD2-CD2 3.92Å; L1309-L1311 HydrophobicContact CD2-CG 3.78Å; L1309-L1311 HydrophobicContact CG-CD1 4.24Å; L1309-L1311 HydrophobicContact CG-CG 4.27Å; L1309-L1311 PolarHBondContact O-N 2.75Å |
| 1312 | A | 46.5 | Very low | 72.1 | Confident | 18 Ų | 18 | 47 Ų | 47 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -119.9 | 23.1 | -171 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1310 D1314 V1315 Y1316 | G1310-A1312 PolarHBondContact O-N 3.01Å; A1312-D1314 PolarHBondContact O-N 2.97Å; A1312-V1315 HydrophobicContact CB-CB 4.09Å; A1312-V1315 HydrophobicContact CB-CG2 4.39Å; A1312-V1315 PolarHBondContact O-N 3.01Å; A1312-Y1316 HydrophobicContact CB-CD2 3.4Å; A1312-Y1316 VanDerWaalsContact CB-CD2 3.4Å; A1312-Y1316 HydrophobicContact CB-CE2 3.51Å; A1312-Y1316 HydrophobicContact CB-CG 4.5Å; A1312-Y1316 WeakPolarHBondContact O-CB 3.24Å; A1312-Y1316 WeakPolarHBondContact O-CD2 3.32Å; A1312-Y1316 PolarHBondContact O-N 3.23Å |
| 1313 | R | 52.5 | Low | 71.4 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.5 | 174.8 | -109.4 | -179.3 | -180 | -168.7 | -2.9 | 112.2 | E1165 D1290 G1310 Y1316 A1317 Y1320 | E1165-R1313 VanDerWaalsContact CD-NH1 3.26Å; E1165-R1313 IonicContact OE1-NH1 3.54Å; E1165-R1313 PolarHBondContact OE1-NH1 2.97Å; E1165-R1313 VanDerWaalsContact OE1-NH1 3.11Å; E1165-R1313 VanDerWaalsContact OE2-CD 3.24Å; E1165-R1313 WeakPolarHBondContact OE2-CD 3.29Å; E1165-R1313 IonicContact OE2-CZ 2.7Å; E1165-R1313 IonicContact OE2-NE 3.63Å; E1165-R1313 IonicContact OE2-NH1 2.67Å; E1165-R1313 PolarHBondContact OE2-NH1 3.09Å; D1290-R1313 IonicContact OD2-NH2 2.68Å; G1310-R1313 PolarHBondContact O-N 3.45Å; R1313-Y1316 CarbonylContact O-C 3.47Å; R1313-A1317 WeakPolarHBondContact O-CA 3.41Å; R1313-A1317 WeakPolarHBondContact O-CB 3.12Å; R1313-A1317 PolarHBondContact O-N 2.82Å; R1313-Y1320 HydrophobicContact CG-CD2 4.33Å; R1313-Y1320 HydrophobicContact CG-CE2 3.75Å |
| 1314 | D | 51.4 | Low | 70.1 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 64% | 0.642 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -45.1 | 173 | -69.3 | -14.3 | 0 | 0 | 0 | 111.9 | A1312 Y1316 A1317 | A1312-D1314 PolarHBondContact O-N 2.97Å; D1314-Y1316 PolarHBondContact O-N 2.98Å; D1314-A1317 VanDerWaalsContact O-CB 3.31Å; D1314-A1317 WeakPolarHBondContact O-CB 3.19Å; D1314-A1317 PolarHBondContact O-N 2.96Å |
| 1315 | V | 58.7 | Low | 68.3 | Low | 89 Ų | 89 | 50.7 Ų | 50.7 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -40.1 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A1312 | A1312-V1315 HydrophobicContact CB-CB 4.09Å; A1312-V1315 HydrophobicContact CB-CG2 4.39Å; A1312-V1315 PolarHBondContact O-N 3.01Å |
| 1316 | Y | 70 | Confident | 66.6 | Low | 25 Ų | 25 | 51.7 Ų | 51.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 22.3 | 178.8 | -58.7 | -55.9 | 0 | 0 | 0 | 112.6 | D1241 K1243 R1294 A1312 R1313 D1314 N1318 E1319 | D1241-Y1316 PolarHBondContact OD1-OH 2.83Å; D1241-Y1316 PolarHBondContact OD2-OH 2.84Å; K1243-Y1316 HydrophobicContact CD-CD1 4.28Å; K1243-Y1316 HydrophobicContact CD-CE1 3.84Å; R1294-Y1316 HydrophobicContact CB-CD2 3.51Å; R1294-Y1316 HydrophobicContact CB-CE2 3.49Å; R1294-Y1316 VanDerWaalsContact CB-CE2 3.49Å; R1294-Y1316 HydrophobicContact CB-CG 4.34Å; R1294-Y1316 HydrophobicContact CG-CD2 4.32Å; A1312-Y1316 HydrophobicContact CB-CD2 3.4Å; A1312-Y1316 VanDerWaalsContact CB-CD2 3.4Å; A1312-Y1316 HydrophobicContact CB-CE2 3.51Å; A1312-Y1316 HydrophobicContact CB-CG 4.5Å; A1312-Y1316 WeakPolarHBondContact O-CB 3.24Å; A1312-Y1316 WeakPolarHBondContact O-CD2 3.32Å; A1312-Y1316 PolarHBondContact O-N 3.23Å; R1313-Y1316 CarbonylContact O-C 3.47Å; D1314-Y1316 PolarHBondContact O-N 2.98Å; Y1316-N1318 PolarHBondContact O-N 2.8Å; Y1316-E1319 WeakPolarHBondContact O-CB 3.35Å; Y1316-E1319 PolarHBondContact O-N 2.98Å |
| 1317 | A | 67.9 | Low | 64.9 | Low | 40 Ų | 40 | 58.5 Ų | 58.5 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -55.7 | -31.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1313 D1314 E1319 Y1320 | R1313-A1317 WeakPolarHBondContact O-CA 3.41Å; R1313-A1317 WeakPolarHBondContact O-CB 3.12Å; R1313-A1317 PolarHBondContact O-N 2.82Å; D1314-A1317 VanDerWaalsContact O-CB 3.31Å; D1314-A1317 WeakPolarHBondContact O-CB 3.19Å; D1314-A1317 PolarHBondContact O-N 2.96Å; A1317-E1319 PolarHBondContact O-N 2.85Å; A1317-Y1320 PolarHBondContact O-N 2.93Å |
| 1318 | N | 71.6 | Confident | 64 | Low | 169 Ų | 169 | 61.4 Ų | 61.4 | 90% | 0.904 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -69.3 | -10.9 | 176.6 | -61.6 | -34.7 | 0 | 0 | 0 | 114.1 | Y1316 | Y1316-N1318 PolarHBondContact O-N 2.8Š|
| 1319 | E | 79.3 | Confident | 64.2 | Low | 28 Ų | 28 | 64.5 Ų | 64.5 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -89.3 | -11.2 | 173.5 | -54.9 | -149.9 | 126.2 | 0 | 0 | 113.3 | K1243 R1294 Y1316 A1317 W1334 | K1243-E1319 VanDerWaalsContact CE-CD 3.5Å; K1243-E1319 WeakPolarHBondContact CE-OE1 3.32Å; K1243-E1319 WeakPolarHBondContact CE-OE2 3.36Å; K1243-E1319 IonicContact NZ-OE1 2.67Å; K1243-E1319 PolarHBondContact NZ-OE1 2.93Å; K1243-E1319 IonicContact NZ-OE2 3.61Å; K1243-E1319 PolarHBondContact NZ-OE2 3.16Å; R1294-E1319 IonicContact CZ-OE2 3.12Å; R1294-E1319 IonicContact NH1-OE2 2.69Å; R1294-E1319 PolarHBondContact NH1-OE2 2.97Å; Y1316-E1319 WeakPolarHBondContact O-CB 3.35Å; Y1316-E1319 PolarHBondContact O-N 2.98Å; A1317-E1319 PolarHBondContact O-N 2.85Å; E1319-W1334 HydrophobicContact CB-CH2 4.13Å; E1319-W1334 HydrophobicContact CB-CZ3 4.11Å; E1319-W1334 HydrophobicContact CG-CH2 4.43Å; E1319-W1334 WeakPolarHBondContact OE2-CH2 3.37Å |
| 1320 | Y | 83.5 | Confident | 65.6 | Low | 15 Ų | 15 | 64.4 Ų | 64.4 | 6% | 0.059 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -103.4 | 118.5 | -179.5 | -71.4 | -87.1 | 0 | 0 | 0 | 110.9 | D1290 R1294 R1313 A1317 R1322 I1330 P1331 | D1290-Y1320 PolarHBondContact OD1-OH 3.04Å; D1290-Y1320 VanDerWaalsContact OD2-CE1 3.24Å; D1290-Y1320 WeakPolarHBondContact OD2-CE1 3.38Å; D1290-Y1320 PolarHBondContact OD2-OH 3.31Å; R1294-Y1320 PolarHBondContact NE-OH 3.38Å; R1313-Y1320 HydrophobicContact CG-CD2 4.33Å; R1313-Y1320 HydrophobicContact CG-CE2 3.75Å; A1317-Y1320 PolarHBondContact O-N 2.93Å; Y1320-R1322 PolarHBondContact O-N 3.03Å; Y1320-I1330 CarbonylContact C-O 3.6Å; Y1320-I1330 WeakPolarHBondContact CA-O 3.22Å; Y1320-P1331 HydrophobicContact CD1-CB 4.21Å; Y1320-P1331 HydrophobicContact CE1-CB 3.97Å; Y1320-P1331 HydrophobicContact CE1-CG 4.38Å |
| 1321 | Y | 84.6 | Confident | 67.4 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122.4 | 172.9 | 177.8 | -93.7 | 0 | 0 | 0 | 109.8 | L1323 I1330 L1332 D1406 I1410 | Y1321-L1323 HydrophobicContact CE1-CD2 4.26Å; Y1321-I1330 HydrophobicContact CD1-CD1 4.17Å; Y1321-I1330 HydrophobicContact CD1-CG1 4.07Å; Y1321-I1330 PolarHBondContact N-O 3.12Å; Y1321-I1330 WeakPolarHBondContact O-CG1 3.49Å; Y1321-I1330 PolarHBondContact O-N 3.35Å; Y1321-L1332 HydrophobicContact CD1-CD2 4.46Å; Y1321-L1332 HydrophobicContact CD2-CD2 3.9Å; Y1321-L1332 HydrophobicContact CG-CB 4.43Å; Y1321-L1332 HydrophobicContact CG-CD2 3.85Å; Y1321-D1406 HydrophobicContact CD2-CB 4.04Å; Y1321-D1406 HydrophobicContact CE2-CB 4.3Å; Y1321-I1410 HydrophobicContact CE1-CD1 4.14Å; Y1321-I1410 HydrophobicContact CE2-CD1 4.06Å |
| 1322 | R | 78.8 | Confident | 69.6 | Low | 115 Ų | 115 | 62.4 Ų | 62.4 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.5 | 172.9 | -175.1 | 176 | 166.2 | 144.3 | -1.3 | 110.2 | Y1320 T1326 E1327 F1329 | Y1320-R1322 PolarHBondContact O-N 3.03Å; R1322-T1326 VanDerWaalsContact CZ-O 3.29Å; R1322-T1326 PolarHBondContact NE-O 2.93Å; R1322-T1326 VanDerWaalsContact NE-O 3.08Å; R1322-T1326 PolarHBondContact NH2-O 2.84Å; R1322-E1327 IonicContact CZ-OE1 3.63Å; R1322-E1327 IonicContact CZ-OE2 3.98Å; R1322-E1327 IonicContact NH1-OE1 2.78Å; R1322-E1327 IonicContact NH1-OE2 3.16Å; R1322-E1327 PolarHBondContact NH1-OE2 3.39Å; R1322-E1327 IonicContact NH2-OE1 3.54Å; R1322-E1327 PolarHBondContact NH2-OE1 2.93Å; R1322-E1327 IonicContact NH2-OE2 4Å; R1322-E1327 PolarHBondContact NH2-OE2 3.07Å; R1322-F1329 HydrophobicContact CB-CD1 3.92Å; R1322-F1329 HydrophobicContact CB-CE1 3.71Å; R1322-F1329 HydrophobicContact CB-CZ 4.22Å; R1322-F1329 HydrophobicContact CG-CD1 4.42Å; R1322-F1329 HydrophobicContact CG-CE1 4.09Å; R1322-F1329 HydrophobicContact CG-CE2 4.41Å; R1322-F1329 HydrophobicContact CG-CZ 4.09Å |
| 1323 | L | 71.6 | Confident | 71.8 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 132.3 | -178.6 | -75.5 | 151.2 | 0 | 0 | 0 | 111.8 | Y1321 N1325 T1326 Q1328 I1330 I1343 | Y1321-L1323 HydrophobicContact CE1-CD2 4.26Å; L1323-N1325 PolarHBondContact O-N 3.17Å; L1323-T1326 WeakPolarHBondContact CB-OG1 3.28Å; L1323-T1326 PolarHBondContact O-N 2.92Å; L1323-T1326 PolarHBondContact O-OG1 2.99Å; L1323-T1326 VanDerWaalsContact O-OG1 3.13Å; L1323-Q1328 HydrophobicContact CD1-CB 3.9Å; L1323-Q1328 HydrophobicContact CD1-CG 3.85Å; L1323-Q1328 PolarHBondContact N-O 3.37Å; L1323-I1330 HydrophobicContact CD1-CD1 4.46Å; L1323-I1330 HydrophobicContact CD1-CG1 4.24Å; L1323-I1330 HydrophobicContact CD1-CG2 3.81Å; L1323-I1330 HydrophobicContact CD2-CD1 4.1Å; L1323-I1330 HydrophobicContact CG-CD1 4.31Å; L1323-I1330 HydrophobicContact CG-CG1 4.19Å; L1323-I1343 HydrophobicContact CD1-CD1 3.43Å; L1323-I1343 VanDerWaalsContact CD1-CD1 3.43Å; L1323-I1343 HydrophobicContact CD1-CG1 4.17Å; L1323-I1343 HydrophobicContact CD2-CD1 3.9Å; L1323-I1343 HydrophobicContact CD2-CG1 3.97Å; L1323-I1343 HydrophobicContact CD2-CG2 4.28Å; L1323-I1343 HydrophobicContact CG-CD1 4.3Å |
| 1324 | P | 66.4 | Low | 73.9 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137 | 177.1 | -27.9 | 35.2 | 0 | 0 | 0 | 112.7 | T1326 | P1324-T1326 VanDerWaalsContact C-N 3.26Å; P1324-T1326 PolarHBondContact O-N 3.07Å |
| 1325 | N | 57.4 | Low | 75.8 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 78% | 0.775 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.8 | 177.9 | -48.6 | -44.8 | 0 | 0 | 0 | 116.1 | L1323 | L1323-N1325 PolarHBondContact O-N 3.17Š|
| 1326 | T | 55.8 | Low | 77.5 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 29% | 0.288 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -135.3 | 171 | 175.1 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | R1322 L1323 P1324 Q1328 | R1322-T1326 VanDerWaalsContact CZ-O 3.29Å; R1322-T1326 PolarHBondContact NE-O 2.93Å; R1322-T1326 VanDerWaalsContact NE-O 3.08Å; R1322-T1326 PolarHBondContact NH2-O 2.84Å; L1323-T1326 WeakPolarHBondContact CB-OG1 3.28Å; L1323-T1326 PolarHBondContact O-N 2.92Å; L1323-T1326 PolarHBondContact O-OG1 2.99Å; L1323-T1326 VanDerWaalsContact O-OG1 3.13Å; P1324-T1326 VanDerWaalsContact C-N 3.26Å; P1324-T1326 PolarHBondContact O-N 3.07Å; T1326-Q1328 VanDerWaalsContact C-N 3.32Å; T1326-Q1328 WeakPolarHBondContact OG1-CB 3.4Å; T1326-Q1328 PolarHBondContact OG1-N 3.3Å |
| 1327 | E | 56.8 | Low | 78.6 | Confident | 145 Ų | 145 | 48.9 Ų | 48.9 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -89.2 | 7.6 | 163.4 | -64.7 | -56.6 | 137.1 | 0 | 0 | 112.5 | R1322 F1329 | R1322-E1327 IonicContact CZ-OE1 3.63Å; R1322-E1327 IonicContact CZ-OE2 3.98Å; R1322-E1327 IonicContact NH1-OE1 2.78Å; R1322-E1327 IonicContact NH1-OE2 3.16Å; R1322-E1327 PolarHBondContact NH1-OE2 3.39Å; R1322-E1327 IonicContact NH2-OE1 3.54Å; R1322-E1327 PolarHBondContact NH2-OE1 2.93Å; R1322-E1327 IonicContact NH2-OE2 4Å; R1322-E1327 PolarHBondContact NH2-OE2 3.07Å; E1327-F1329 VanDerWaalsContact O-CD2 3.28Å; E1327-F1329 WeakPolarHBondContact O-CD2 3.39Å |
| 1328 | Q | 64.1 | Low | 79.7 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | trans | -86.7 | 134.6 | -172.4 | -167.5 | 177.7 | 33.6 | 0 | 0 | 112.1 | L1323 T1326 | L1323-Q1328 HydrophobicContact CD1-CB 3.9Å; L1323-Q1328 HydrophobicContact CD1-CG 3.85Å; L1323-Q1328 PolarHBondContact N-O 3.37Å; T1326-Q1328 VanDerWaalsContact C-N 3.32Å; T1326-Q1328 WeakPolarHBondContact OG1-CB 3.4Å; T1326-Q1328 PolarHBondContact OG1-N 3.3Å | ||
| 1329 | F | 76.7 | Confident | 80.7 | Confident | 84 Ų | 84 | 41 Ų | 41 | 37% | 0.368 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.5 | 178.7 | -72.2 | -95.6 | 0 | 0 | 0 | 110.7 | R1322 E1327 | R1322-F1329 HydrophobicContact CB-CD1 3.92Å; R1322-F1329 HydrophobicContact CB-CE1 3.71Å; R1322-F1329 HydrophobicContact CB-CZ 4.22Å; R1322-F1329 HydrophobicContact CG-CD1 4.42Å; R1322-F1329 HydrophobicContact CG-CE1 4.09Å; R1322-F1329 HydrophobicContact CG-CE2 4.41Å; R1322-F1329 HydrophobicContact CG-CZ 4.09Å; E1327-F1329 VanDerWaalsContact O-CD2 3.28Å; E1327-F1329 WeakPolarHBondContact O-CD2 3.39Å |
| 1330 | I | 85.1 | Confident | 81.2 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.4 | 178.6 | 54.5 | 161.2 | 0 | 0 | 0 | 112.8 | Y1320 Y1321 L1323 L1332 F1335 I1343 I1375 | Y1320-I1330 CarbonylContact C-O 3.6Å; Y1320-I1330 WeakPolarHBondContact CA-O 3.22Å; Y1321-I1330 HydrophobicContact CD1-CD1 4.17Å; Y1321-I1330 HydrophobicContact CD1-CG1 4.07Å; Y1321-I1330 PolarHBondContact N-O 3.12Å; Y1321-I1330 WeakPolarHBondContact O-CG1 3.49Å; Y1321-I1330 PolarHBondContact O-N 3.35Å; L1323-I1330 HydrophobicContact CD1-CD1 4.46Å; L1323-I1330 HydrophobicContact CD1-CG1 4.24Å; L1323-I1330 HydrophobicContact CD1-CG2 3.81Å; L1323-I1330 HydrophobicContact CD2-CD1 4.1Å; L1323-I1330 HydrophobicContact CG-CD1 4.31Å; L1323-I1330 HydrophobicContact CG-CG1 4.19Å; I1330-L1332 HydrophobicContact CD1-CD1 4.47Å; I1330-L1332 PolarHBondContact O-N 3.46Å; I1330-F1335 HydrophobicContact CB-CE1 4.01Å; I1330-F1335 HydrophobicContact CB-CE2 4.08Å; I1330-F1335 HydrophobicContact CB-CZ 3.7Å; I1330-F1335 HydrophobicContact CD1-CD1 4.03Å; I1330-F1335 HydrophobicContact CD1-CE1 3.79Å; I1330-F1335 HydrophobicContact CD1-CZ 4.38Å; I1330-F1335 HydrophobicContact CG2-CE1 3.96Å; I1330-F1335 HydrophobicContact CG2-CE2 4.3Å; I1330-F1335 HydrophobicContact CG2-CZ 3.54Å; I1330-I1343 HydrophobicContact CD1-CD1 4.39Å; I1330-I1343 HydrophobicContact CG2-CD1 3.99Å; I1330-I1375 HydrophobicContact CG2-CD1 4.5Å |
| 1331 | P | 89.8 | Confident | 81.3 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | trans | -77.4 | 66.9 | 175.1 | 33.8 | -37.5 | 0 | 0 | 0 | 111.3 | Y1320 R1333 W1334 F1335 | Y1320-P1331 HydrophobicContact CD1-CB 4.21Å; Y1320-P1331 HydrophobicContact CE1-CB 3.97Å; Y1320-P1331 HydrophobicContact CE1-CG 4.38Å; P1331-R1333 PolarHBondContact O-N 3.36Å; P1331-W1334 HydrophobicContact CB-CE3 4Å; P1331-W1334 PolarHBondContact O-N 3.41Å; P1331-F1335 HydrophobicContact CG-CD2 3.92Å; P1331-F1335 HydrophobicContact CG-CE2 3.86Å; P1331-F1335 PolarHBondContact O-N 2.86Å; P1331-F1335 VanDerWaalsContact O-N 3.14Å | ||
| 1332 | L | 93.1 | Very high | 81.2 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.4 | -170 | 176.6 | 63.7 | 0 | 0 | 0 | 114.7 | Y1321 I1330 W1334 F1335 I1340 D1406 I1409 I1410 | Y1321-L1332 HydrophobicContact CD1-CD2 4.46Å; Y1321-L1332 HydrophobicContact CD2-CD2 3.9Å; Y1321-L1332 HydrophobicContact CG-CB 4.43Å; Y1321-L1332 HydrophobicContact CG-CD2 3.85Å; I1330-L1332 HydrophobicContact CD1-CD1 4.47Å; I1330-L1332 PolarHBondContact O-N 3.46Å; L1332-W1334 VanDerWaalsContact C-N 3.29Å; L1332-W1334 PolarHBondContact O-N 2.9Å; L1332-F1335 PolarHBondContact O-N 3.32Å; L1332-I1340 HydrophobicContact CD1-CD1 4.08Å; L1332-I1340 HydrophobicContact CD1-CG1 4.15Å; L1332-D1406 HydrophobicContact CD2-CB 3.72Å; L1332-I1409 HydrophobicContact CD1-CG2 4.19Å; L1332-I1409 HydrophobicContact CG-CG2 4.07Å; L1332-I1410 HydrophobicContact CD1-CG1 3.94Å; L1332-I1410 HydrophobicContact CD2-CD1 4.12Å; L1332-I1410 HydrophobicContact CD2-CG1 3.97Å |
| 1333 | R | 93.8 | Very high | 81.2 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.9 | -179.8 | -72.6 | 166.7 | -177.1 | -82.1 | -12.8 | 114.3 | P1331 P1400 L1401 L1404 D1406 I1409 | P1331-R1333 PolarHBondContact O-N 3.36Å; R1333-P1400 HydrophobicContact CB-CB 4.44Å; R1333-P1400 WeakPolarHBondContact CD-O 3.46Å; R1333-P1400 PolarHBondContact NH1-O 2.9Å; R1333-L1401 VanDerWaalsContact NH1-C 3.3Å; R1333-L1401 PolarHBondContact NH1-O 3.43Å; R1333-L1404 PolarHBondContact NH1-O 3.32Å; R1333-L1404 PolarHBondContact NH2-O 3.29Å; R1333-D1406 IonicContact CZ-OD1 3.16Å; R1333-D1406 IonicContact NE-OD1 3.85Å; R1333-D1406 PolarHBondContact NE-OD1 3.35Å; R1333-D1406 IonicContact NH2-OD1 3.7Å; R1333-D1406 PolarHBondContact NH2-OD1 3.05Å; R1333-I1409 HydrophobicContact CG-CD1 3.79Å |
| 1334 | W | 94.7 | Very high | 81.4 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -6.7 | 172.8 | -60.4 | -105.4 | 0 | 0 | 0 | 112.3 | A1292 R1294 E1319 P1331 L1332 A1385 I1388 E1392 P1400 | A1292-W1334 HydrophobicContact CB-CD2 4.11Å; A1292-W1334 HydrophobicContact CB-CG 4.14Å; A1292-W1334 HydrophobicContact CB-CZ2 4.32Å; R1294-W1334 VanDerWaalsContact NH1-CZ3 3.26Å; E1319-W1334 HydrophobicContact CB-CH2 4.13Å; E1319-W1334 HydrophobicContact CB-CZ3 4.11Å; E1319-W1334 HydrophobicContact CG-CH2 4.43Å; E1319-W1334 WeakPolarHBondContact OE2-CH2 3.37Å; P1331-W1334 HydrophobicContact CB-CE3 4Å; P1331-W1334 PolarHBondContact O-N 3.41Å; L1332-W1334 VanDerWaalsContact C-N 3.29Å; L1332-W1334 PolarHBondContact O-N 2.9Å; W1334-A1385 HydrophobicContact CB-CB 4.26Å; W1334-I1388 HydrophobicContact CG-CG2 4.09Å; W1334-E1392 PolarHBondContact NE1-OE2 3.28Å; W1334-P1400 HydrophobicContact CH2-CG 4.45Å; W1334-P1400 HydrophobicContact CZ2-CG 3.84Å |
| 1335 | F | 92.9 | Very high | 81.4 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | trans | -68.3 | 137.8 | -179.6 | -106.2 | -144.3 | 0 | 0 | 0 | 112.4 | I1330 P1331 L1332 L1339 I1340 I1343 Y1377 W1384 | I1330-F1335 HydrophobicContact CB-CE1 4.01Å; I1330-F1335 HydrophobicContact CB-CE2 4.08Å; I1330-F1335 HydrophobicContact CB-CZ 3.7Å; I1330-F1335 HydrophobicContact CD1-CD1 4.03Å; I1330-F1335 HydrophobicContact CD1-CE1 3.79Å; I1330-F1335 HydrophobicContact CD1-CZ 4.38Å; I1330-F1335 HydrophobicContact CG2-CE1 3.96Å; I1330-F1335 HydrophobicContact CG2-CE2 4.3Å; I1330-F1335 HydrophobicContact CG2-CZ 3.54Å; P1331-F1335 HydrophobicContact CG-CD2 3.92Å; P1331-F1335 HydrophobicContact CG-CE2 3.86Å; P1331-F1335 PolarHBondContact O-N 2.86Å; P1331-F1335 VanDerWaalsContact O-N 3.14Å; L1332-F1335 PolarHBondContact O-N 3.32Å; F1335-L1339 HydrophobicContact CD1-CB 3.63Å; F1335-L1339 HydrophobicContact CD1-CD1 4.4Å; F1335-L1339 HydrophobicContact CD2-CD1 4.29Å; F1335-L1339 HydrophobicContact CE1-CB 3.79Å; F1335-L1339 HydrophobicContact CE1-CD1 4.4Å; F1335-L1339 HydrophobicContact CE2-CD1 4.28Å; F1335-L1339 HydrophobicContact CG-CB 4.23Å; F1335-L1339 HydrophobicContact CG-CD1 4.33Å; F1335-L1339 HydrophobicContact CZ-CB 4.48Å; F1335-L1339 HydrophobicContact CZ-CD1 4.33Å; F1335-I1340 HydrophobicContact CB-CD1 4.3Å; F1335-I1340 HydrophobicContact CB-CG1 3.99Å; F1335-I1340 HydrophobicContact CD1-CG1 4.24Å; F1335-I1343 HydrophobicContact CE1-CD1 4.48Å; F1335-Y1377 AromaticContact CE2-CE1 3.76Å; F1335-Y1377 HydrophobicContact CE2-CE1 3.76Å; F1335-Y1377 AromaticContact CZ-CE1 3.95Å; F1335-Y1377 HydrophobicContact CZ-CE1 3.95Å; F1335-Y1377 AromaticContact CZ-CZ 3.96Å; F1335-Y1377 WeakPolarHBondContact CZ-OH 3.39Å; F1335-W1384 PolarHBondContact O-NE1 2.91Å | ||
| 1336 | A | 94.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | trans | -76.4 | 150.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1338 L1339 I1340 W1384 | A1336-E1338 VanDerWaalsContact C-N 3.27Å; A1336-E1338 VanDerWaalsContact CB-CD 3.46Å; A1336-E1338 VanDerWaalsContact CB-OE1 3.25Å; A1336-E1338 WeakPolarHBondContact CB-OE1 3.39Å; A1336-E1338 WeakPolarHBondContact CB-OE2 3.38Å; A1336-E1338 PolarHBondContact O-N 2.55Å; A1336-E1338 VanDerWaalsContact O-N 3.16Å; A1336-L1339 WeakPolarHBondContact O-CB 3.37Å; A1336-L1339 PolarHBondContact O-N 2.85Å; A1336-I1340 PolarHBondContact O-N 2.9Å; A1336-W1384 HydrophobicContact CB-CB 3.82Å; A1336-W1384 HydrophobicContact CB-CD2 4.24Å; A1336-W1384 HydrophobicContact CB-CG 3.78Å | ||
| 1337 | P | 92.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.7 | -37.5 | -175.3 | -29.2 | 36.2 | 0 | 0 | 0 | 114.8 | L1339 I1340 H1341 W1384 T1416 A1417 | P1337-L1339 VanDerWaalsContact C-N 3.31Å; P1337-L1339 PolarHBondContact O-N 3.07Å; P1337-I1340 PolarHBondContact O-N 2.85Å; P1337-H1341 PolarHBondContact O-N 3.34Å; P1337-W1384 HydrophobicContact CG-CE3 4.29Å; P1337-W1384 HydrophobicContact CG-CH2 3.57Å; P1337-W1384 HydrophobicContact CG-CZ2 3.96Å; P1337-W1384 HydrophobicContact CG-CZ3 3.73Å; P1337-T1416 HydrophobicContact CB-CG2 3.98Å; P1337-T1416 HydrophobicContact CG-CG2 3.72Å; P1337-A1417 HydrophobicContact CB-CB 4.39Å |
| 1338 | E | 90.4 | Very high | 80.5 | Confident | 40 Ų | 40 | 29.6 Ų | 29.6 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 177.9 | 65 | -82.4 | -166.2 | 0 | 0 | 112.9 | A1336 H1341 E1342 P1463 R1466 | A1336-E1338 VanDerWaalsContact C-N 3.27Å; A1336-E1338 VanDerWaalsContact CB-CD 3.46Å; A1336-E1338 VanDerWaalsContact CB-OE1 3.25Å; A1336-E1338 WeakPolarHBondContact CB-OE1 3.39Å; A1336-E1338 WeakPolarHBondContact CB-OE2 3.38Å; A1336-E1338 PolarHBondContact O-N 2.55Å; A1336-E1338 VanDerWaalsContact O-N 3.16Å; E1338-H1341 PolarHBondContact O-N 3.37Å; E1338-E1342 WeakPolarHBondContact O-CB 3.39Å; E1338-E1342 PolarHBondContact O-N 3.48Å; E1338-P1463 HydrophobicContact CG-CG 4.24Å; E1338-R1466 IonicContact OE1-CZ 2.78Å; E1338-R1466 IonicContact OE1-NH1 2.83Å; E1338-R1466 PolarHBondContact OE1-NH1 3.16Å; E1338-R1466 IonicContact OE1-NH2 3.93Å; E1338-R1466 IonicContact OE2-CZ 3.38Å; E1338-R1466 IonicContact OE2-NH1 3.85Å; E1338-R1466 PolarHBondContact OE2-NH1 2.8Å; E1338-R1466 IonicContact OE2-NH2 3.09Å; E1338-R1466 PolarHBondContact OE2-NH2 3.49Å |
| 1339 | L | 92.8 | Very high | 79.1 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.9 | -36.6 | 176.5 | -55.6 | -175.8 | 0 | 0 | 0 | 111.4 | F1335 A1336 P1337 H1341 I1343 I1375 Y1377 | F1335-L1339 HydrophobicContact CD1-CB 3.63Å; F1335-L1339 HydrophobicContact CD1-CD1 4.4Å; F1335-L1339 HydrophobicContact CD2-CD1 4.29Å; F1335-L1339 HydrophobicContact CE1-CB 3.79Å; F1335-L1339 HydrophobicContact CE1-CD1 4.4Å; F1335-L1339 HydrophobicContact CE2-CD1 4.28Å; F1335-L1339 HydrophobicContact CG-CB 4.23Å; F1335-L1339 HydrophobicContact CG-CD1 4.33Å; F1335-L1339 HydrophobicContact CZ-CB 4.48Å; F1335-L1339 HydrophobicContact CZ-CD1 4.33Å; A1336-L1339 WeakPolarHBondContact O-CB 3.37Å; A1336-L1339 PolarHBondContact O-N 2.85Å; P1337-L1339 VanDerWaalsContact C-N 3.31Å; P1337-L1339 PolarHBondContact O-N 3.07Å; L1339-H1341 VanDerWaalsContact C-N 3.33Å; L1339-I1343 WeakPolarHBondContact O-CB 3.48Å; L1339-I1343 WeakPolarHBondContact O-CG2 3.31Å; L1339-I1343 PolarHBondContact O-N 3.36Å; L1339-I1375 HydrophobicContact CD2-CG2 3.99Å; L1339-Y1377 HydrophobicContact CD1-CD1 3.64Å; L1339-Y1377 HydrophobicContact CD1-CE1 3.8Å |
| 1340 | I | 90.6 | Very high | 77.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.4 | -61 | 175.2 | 0 | 0 | 0 | 110.4 | L1332 F1335 A1336 P1337 T1344 I1409 I1410 Q1414 L1439 | L1332-I1340 HydrophobicContact CD1-CD1 4.08Å; L1332-I1340 HydrophobicContact CD1-CG1 4.15Å; F1335-I1340 HydrophobicContact CB-CD1 4.3Å; F1335-I1340 HydrophobicContact CB-CG1 3.99Å; F1335-I1340 HydrophobicContact CD1-CG1 4.24Å; A1336-I1340 PolarHBondContact O-N 2.9Å; P1337-I1340 PolarHBondContact O-N 2.85Å; I1340-T1344 WeakPolarHBondContact O-CB 3.26Å; I1340-T1344 WeakPolarHBondContact O-CG2 3.44Å; I1340-T1344 PolarHBondContact O-N 2.7Å; I1340-T1344 PolarHBondContact O-OG1 2.95Å; I1340-I1409 HydrophobicContact CD1-CG2 4.42Å; I1340-I1410 HydrophobicContact CG2-CG2 4.41Å; I1340-Q1414 HydrophobicContact CG2-CG 4.41Å; I1340-L1439 HydrophobicContact CD1-CD2 4.34Å |
| 1341 | H | 84.8 | Confident | 74.7 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -57 | 174.9 | -172.4 | 69.8 | 0 | 0 | 0 | 111.5 | P1337 E1338 L1339 I1343 T1344 T1345 A1417 | P1337-H1341 PolarHBondContact O-N 3.34Å; E1338-H1341 PolarHBondContact O-N 3.37Å; L1339-H1341 VanDerWaalsContact C-N 3.33Å; H1341-I1343 VanDerWaalsContact C-N 3.31Å; H1341-I1343 PolarHBondContact O-N 2.97Å; H1341-T1344 PolarHBondContact O-N 3.39Å; H1341-T1344 VanDerWaalsContact O-N 3.17Å; H1341-T1344 PolarHBondContact O-OG1 2.78Å; H1341-T1344 VanDerWaalsContact O-OG1 3.07Å; H1341-T1345 WeakPolarHBondContact O-CG2 3.41Å; H1341-T1345 PolarHBondContact O-N 2.84Å; H1341-T1345 PolarHBondContact O-OG1 2.99Å; H1341-A1417 HydrophobicContact CB-CB 3.57Å |
| 1342 | E | 82.2 | Confident | 71.7 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 35% | 0.346 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.8 | -39.5 | -175.8 | -175.2 | 60.8 | -159.1 | 0 | 0 | 112.9 | E1338 T1345 N1346 P1376 | E1338-E1342 WeakPolarHBondContact O-CB 3.39Å; E1338-E1342 PolarHBondContact O-N 3.48Å; E1342-T1345 PolarHBondContact O-OG1 2.97Å; E1342-N1346 WeakPolarHBondContact O-CB 3.46Å; E1342-N1346 PolarHBondContact O-N 2.82Å; E1342-N1346 PolarHBondContact O-ND2 2.62Å; E1342-N1346 PolarHBondContact OE1-ND2 3.35Å; E1342-P1376 HydrophobicContact CG-CG 3.9Å |
| 1343 | I | 80.6 | Confident | 68.7 | Low | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.7 | -32.3 | -178.3 | -150.4 | 161.2 | 0 | 0 | 0 | 112.3 | L1323 I1330 F1335 L1339 H1341 T1347 I1375 | L1323-I1343 HydrophobicContact CD1-CD1 3.43Å; L1323-I1343 VanDerWaalsContact CD1-CD1 3.43Å; L1323-I1343 HydrophobicContact CD1-CG1 4.17Å; L1323-I1343 HydrophobicContact CD2-CD1 3.9Å; L1323-I1343 HydrophobicContact CD2-CG1 3.97Å; L1323-I1343 HydrophobicContact CD2-CG2 4.28Å; L1323-I1343 HydrophobicContact CG-CD1 4.3Å; I1330-I1343 HydrophobicContact CD1-CD1 4.39Å; I1330-I1343 HydrophobicContact CG2-CD1 3.99Å; F1335-I1343 HydrophobicContact CE1-CD1 4.48Å; L1339-I1343 WeakPolarHBondContact O-CB 3.48Å; L1339-I1343 WeakPolarHBondContact O-CG2 3.31Å; L1339-I1343 PolarHBondContact O-N 3.36Å; H1341-I1343 VanDerWaalsContact C-N 3.31Å; H1341-I1343 PolarHBondContact O-N 2.97Å; I1343-T1347 PolarHBondContact O-N 2.69Å; I1343-T1347 PolarHBondContact O-OG1 2.87Å; I1343-I1375 HydrophobicContact CD1-CD1 3.52Å; I1343-I1375 HydrophobicContact CD1-CG1 4Å |
| 1344 | T | 74.1 | Confident | 65.5 | Low | 23 Ų | 23 | 50.3 Ų | 50.3 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79 | -37.1 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | I1340 H1341 T1347 T1348 I1410 Q1414 | I1340-T1344 WeakPolarHBondContact O-CB 3.26Å; I1340-T1344 WeakPolarHBondContact O-CG2 3.44Å; I1340-T1344 PolarHBondContact O-N 2.7Å; I1340-T1344 PolarHBondContact O-OG1 2.95Å; H1341-T1344 PolarHBondContact O-N 3.39Å; H1341-T1344 VanDerWaalsContact O-N 3.17Å; H1341-T1344 PolarHBondContact O-OG1 2.78Å; H1341-T1344 VanDerWaalsContact O-OG1 3.07Å; T1344-T1347 WeakPolarHBondContact CA-OG1 3.49Å; T1344-T1347 PolarHBondContact O-N 2.78Å; T1344-T1347 PolarHBondContact O-OG1 2.83Å; T1344-T1348 PolarHBondContact O-N 2.97Å; T1344-I1410 HydrophobicContact CG2-CG2 4.03Å; T1344-Q1414 VanDerWaalsContact CB-NE2 3.31Å; T1344-Q1414 PolarHBondContact OG1-NE2 3.19Å |
| 1345 | T | 67.9 | Low | 62.4 | Low | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 172.9 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | H1341 E1342 T1347 T1348 M1349 | H1341-T1345 WeakPolarHBondContact O-CG2 3.41Å; H1341-T1345 PolarHBondContact O-N 2.84Å; H1341-T1345 PolarHBondContact O-OG1 2.99Å; E1342-T1345 PolarHBondContact O-OG1 2.97Å; T1345-T1347 VanDerWaalsContact C-N 3.33Å; T1345-T1347 PolarHBondContact O-N 2.76Å; T1345-T1348 PolarHBondContact O-N 3.17Å; T1345-T1348 PolarHBondContact O-OG1 3.23Å; T1345-M1349 PolarHBondContact O-N 3.49Å |
| 1346 | N | 55.5 | Low | 59.4 | Low | 46 Ų | 46 | 63.3 Ų | 63.3 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.3 | -36 | 176.5 | -80.7 | -63.4 | 0 | 0 | 0 | 112.5 | E1342 T1348 N1350 P1373 | E1342-N1346 WeakPolarHBondContact O-CB 3.46Å; E1342-N1346 PolarHBondContact O-N 2.82Å; E1342-N1346 PolarHBondContact O-ND2 2.62Å; E1342-N1346 PolarHBondContact OE1-ND2 3.35Å; N1346-T1348 PolarHBondContact O-N 3.39Å; N1346-N1350 PolarHBondContact O-N 2.79Å; N1346-P1373 HydrophobicContact CB-CG 4.18Å |
| 1347 | T | 51.5 | Low | 56.2 | Low | 53 Ų | 53 | 67.9 Ų | 67.9 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 173.5 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | I1343 T1344 T1345 N1350 T1351 | I1343-T1347 PolarHBondContact O-N 2.69Å; I1343-T1347 PolarHBondContact O-OG1 2.87Å; T1344-T1347 WeakPolarHBondContact CA-OG1 3.49Å; T1344-T1347 PolarHBondContact O-N 2.78Å; T1344-T1347 PolarHBondContact O-OG1 2.83Å; T1345-T1347 VanDerWaalsContact C-N 3.33Å; T1345-T1347 PolarHBondContact O-N 2.76Å; T1347-N1350 PolarHBondContact O-N 2.65Å; T1347-T1351 PolarHBondContact O-N 2.84Å; T1347-T1351 PolarHBondContact O-OG1 2.89Å |
| 1348 | T | 43.1 | Very low | 53.1 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.4 | -33.7 | -178.3 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | T1344 T1345 N1346 T1351 T1352 | T1344-T1348 PolarHBondContact O-N 2.97Å; T1345-T1348 PolarHBondContact O-N 3.17Å; T1345-T1348 PolarHBondContact O-OG1 3.23Å; N1346-T1348 PolarHBondContact O-N 3.39Å; T1348-T1351 WeakPolarHBondContact CA-OG1 3.3Å; T1348-T1351 PolarHBondContact O-N 3.28Å; T1348-T1351 PolarHBondContact O-OG1 2.96Å; T1348-T1352 PolarHBondContact O-N 2.71Å |
| 1349 | M | 34.5 | Very low | 50.1 | Low | 127 Ų | 127 | 78 Ų | 78 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67 | -35.6 | 174.7 | -66.3 | -60.8 | 177 | 0 | 0 | 112.6 | T1345 T1351 T1352 A1353 | T1345-M1349 PolarHBondContact O-N 3.49Å; M1349-T1351 VanDerWaalsContact C-N 3.28Å; M1349-T1351 PolarHBondContact O-N 3.12Å; M1349-T1352 PolarHBondContact O-N 2.93Å; M1349-T1352 PolarHBondContact O-OG1 2.92Å; M1349-T1352 VanDerWaalsContact O-OG1 3.05Å; M1349-A1353 PolarHBondContact O-N 2.82Å; M1349-A1353 VanDerWaalsContact O-N 3.12Å |
| 1350 | N | 35.1 | Very low | 46.9 | Very low | 95 Ų | 95 | 85.7 Ų | 85.7 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.2 | -23.3 | 175.9 | -79.3 | -33.3 | 0 | 0 | 0 | 113.4 | N1346 T1347 R1354 | N1346-N1350 PolarHBondContact O-N 2.79Å; T1347-N1350 PolarHBondContact O-N 2.65Å; N1350-R1354 WeakPolarHBondContact O-CG 3.38Å |
| 1351 | T | 34.2 | Very low | 43.8 | Very low | 73 Ų | 73 | 89.2 Ų | 89.2 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.2 | -38.4 | 170.9 | 34 | 0 | 0 | 0 | 0 | 113.8 | T1347 T1348 M1349 | T1347-T1351 PolarHBondContact O-N 2.84Å; T1347-T1351 PolarHBondContact O-OG1 2.89Å; T1348-T1351 WeakPolarHBondContact CA-OG1 3.3Å; T1348-T1351 PolarHBondContact O-N 3.28Å; T1348-T1351 PolarHBondContact O-OG1 2.96Å; M1349-T1351 VanDerWaalsContact C-N 3.28Å; M1349-T1351 PolarHBondContact O-N 3.12Å |
| 1352 | T | 27.9 | Very low | 41.1 | Very low | 85 Ų | 85 | 95.7 Ų | 95.7 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.7 | -39.5 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | T1348 M1349 R1354 H1355 V1356 | T1348-T1352 PolarHBondContact O-N 2.71Å; M1349-T1352 PolarHBondContact O-N 2.93Å; M1349-T1352 PolarHBondContact O-OG1 2.92Å; M1349-T1352 VanDerWaalsContact O-OG1 3.05Å; T1352-R1354 VanDerWaalsContact C-N 3.28Å; T1352-R1354 PolarHBondContact O-N 3.14Å; T1352-H1355 PolarHBondContact O-N 2.78Å; T1352-H1355 VanDerWaalsContact O-N 3.07Å; T1352-V1356 PolarHBondContact O-N 2.03Å |
| 1353 | A | 29.2 | Very low | 38.4 | Very low | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1349 H1355 V1356 S1357 | M1349-A1353 PolarHBondContact O-N 2.82Å; M1349-A1353 VanDerWaalsContact O-N 3.12Å; A1353-H1355 VanDerWaalsContact C-N 3.3Å; A1353-H1355 PolarHBondContact O-N 2.69Å; A1353-V1356 PolarHBondContact O-N 3.3Å; A1353-S1357 PolarHBondContact O-N 3.49Å |
| 1354 | R | 27.7 | Very low | 35.7 | Very low | 184 Ų | 184 | 105 Ų | 105 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.9 | -24.2 | 177.4 | -76.2 | -179.9 | 174.5 | 173.1 | 0.8 | 114.1 | N1350 T1352 | N1350-R1354 WeakPolarHBondContact O-CG 3.38Å; T1352-R1354 VanDerWaalsContact C-N 3.28Å; T1352-R1354 PolarHBondContact O-N 3.14Å |
| 1355 | H | 28 | Very low | 33.5 | Very low | 165 Ų | 165 | 112.7 Ų | 112.7 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83.9 | -17 | 178 | -109.3 | -71 | 0 | 0 | 0 | 114.3 | T1352 A1353 | T1352-H1355 PolarHBondContact O-N 2.78Å; T1352-H1355 VanDerWaalsContact O-N 3.07Å; A1353-H1355 VanDerWaalsContact C-N 3.3Å; A1353-H1355 PolarHBondContact O-N 2.69Å |
| 1356 | V | 30.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 114.9 Ų | 114.9 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -100.7 | -31.7 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | T1352 A1353 L1358 | T1352-V1356 PolarHBondContact O-N 2.03Å; A1353-V1356 PolarHBondContact O-N 3.3Å; V1356-L1358 VanDerWaalsContact C-N 3.31Å; V1356-L1358 PolarHBondContact O-N 3.48Å |
| 1357 | S | 26.6 | Very low | 30.1 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 22.3 | -175.9 | -164.7 | 0 | 0 | 0 | 0 | 115.5 | A1353 C1359 | A1353-S1357 PolarHBondContact O-N 3.49Å; S1357-C1359 VanDerWaalsContact C-N 3.3Å |
| 1358 | L | 27 | Very low | 28.9 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -6.1 | 171.1 | -90.2 | 163.4 | 0 | 0 | 0 | 113.4 | V1356 | V1356-L1358 VanDerWaalsContact C-N 3.31Å; V1356-L1358 PolarHBondContact O-N 3.48Å |
| 1359 | C | 28.4 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -116.2 | 59.1 | -174.8 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | S1357 | S1357-C1359 VanDerWaalsContact C-N 3.3Š|
| 1360 | N | 24.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | trans | 171.3 | 127.3 | 144.6 | -88.4 | -25 | 0 | 0 | 0 | 110.4 | ||||
| 1361 | G | 25.4 | Very low | 27.6 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 71% | 0.71 | S | S | * | * | trans | -89.1 | 119.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1362 | H | 28.8 | Very low | 27.7 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | trans | -155 | 128.2 | 154.5 | -112.1 | -81.4 | 0 | 0 | 0 | 109.9 | N1364 | H1362-N1364 VanDerWaalsContact C-N 3.35Å; H1362-N1364 PolarHBondContact O-N 2.7Å | ||
| 1363 | E | 25.5 | Very low | 28.3 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -77.6 | 72.1 | -172.4 | -64.1 | -164 | 149.6 | 0 | 0 | 113.9 | K1365 | E1363-K1365 PolarHBondContact O-N 3.48Š| ||
| 1364 | N | 23.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | trans | -72.4 | 90.1 | 174.4 | -78.6 | -17.9 | 0 | 0 | 0 | 111.8 | H1362 S1366 L1367 | H1362-N1364 VanDerWaalsContact C-N 3.35Å; H1362-N1364 PolarHBondContact O-N 2.7Å; N1364-S1366 PolarHBondContact O-N 2.94Å; N1364-L1367 PolarHBondContact O-N 2.75Å | ||
| 1365 | K | 28.5 | Very low | 31.6 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 81% | 0.809 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -58.2 | -7.6 | 179 | -73.7 | 179.4 | 177.2 | 173.3 | 0 | 115.4 | E1363 L1367 | E1363-K1365 PolarHBondContact O-N 3.48Å; K1365-L1367 VanDerWaalsContact C-N 3.34Å |
| 1366 | S | 26.4 | Very low | 34.1 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -71.6 | -19.6 | 174.8 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | N1364 K1368 Q1369 | N1364-S1366 PolarHBondContact O-N 2.94Å; S1366-K1368 VanDerWaalsContact C-N 3.29Å; S1366-K1368 PolarHBondContact O-N 2.88Å; S1366-Q1369 PolarHBondContact O-N 3.45Å |
| 1367 | L | 25.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -71.6 | -11 | -172.8 | -92.2 | 165 | 0 | 0 | 0 | 115.9 | N1364 K1365 Q1369 | N1364-L1367 PolarHBondContact O-N 2.75Å; K1365-L1367 VanDerWaalsContact C-N 3.34Å; L1367-Q1369 PolarHBondContact O-N 2.92Å |
| 1368 | K | 26.6 | Very low | 39.8 | Very low | 194 Ų | 194 | 115.8 Ų | 115.8 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -65.8 | -19.4 | 174 | -83.3 | -166.5 | 173.6 | -172.5 | 0 | 113.7 | S1366 | S1366-K1368 VanDerWaalsContact C-N 3.29Å; S1366-K1368 PolarHBondContact O-N 2.88Å |
| 1369 | Q | 26.1 | Very low | 43 | Very low | 187 Ų | 187 | 111.1 Ų | 111.1 | 87% | 0.874 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -92.6 | -4.5 | -172 | -145.4 | 165.8 | 13.1 | 0 | 0 | 114.5 | S1366 L1367 | S1366-Q1369 PolarHBondContact O-N 3.45Å; L1367-Q1369 PolarHBondContact O-N 2.92Å |
| 1370 | L | 27.2 | Very low | 46.2 | Very low | 150 Ų | 150 | 108 Ų | 108 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -102.8 | 2.8 | 174.4 | -126.1 | 75.6 | 0 | 0 | 0 | 113.5 | N1372 | L1370-N1372 VanDerWaalsContact C-N 3.3Å; L1370-N1372 PolarHBondContact O-N 3.34Å |
| 1371 | A | 31.8 | Very low | 49.6 | Very low | 77 Ų | 77 | 100.6 Ų | 100.6 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -83.4 | 11.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1372 | N | 35.5 | Very low | 52.9 | Low | 111 Ų | 111 | 97.1 Ų | 97.1 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | trans | -149 | 97.5 | 178 | -126.5 | -2.6 | 0 | 0 | 0 | 110.4 | L1370 A1374 | L1370-N1372 VanDerWaalsContact C-N 3.3Å; L1370-N1372 PolarHBondContact O-N 3.34Å; N1372-A1374 PolarHBondContact O-N 3.18Å | ||
| 1373 | P | 40.6 | Very low | 56.2 | Low | 63 Ų | 63 | 88.7 Ų | 88.7 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | trans | -66 | 128.2 | 172.3 | 27.2 | -32.2 | 0 | 0 | 0 | 109.5 | N1346 I1375 | N1346-P1373 HydrophobicContact CB-CG 4.18Å; P1373-I1375 PolarHBondContact O-N 2.72Å; P1373-I1375 VanDerWaalsContact O-N 3.12Å | ||
| 1374 | A | 57.4 | Low | 59.6 | Low | 97 Ų | 97 | 80.8 Ų | 80.8 | 80% | 0.802 | 45% | 0.445 | S | S | * | . | trans | -70.7 | 108.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1372 | N1372-A1374 PolarHBondContact O-N 3.18Š| ||
| 1375 | I | 69.8 | Low | 63.1 | Low | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.128 | 42% | 0.418 | C | S | . | . | trans | -51.9 | 125.1 | 177.4 | -60.7 | 162.6 | 0 | 0 | 0 | 109.1 | I1330 L1339 I1343 P1373 Y1377 | I1330-I1375 HydrophobicContact CG2-CD1 4.5Å; L1339-I1375 HydrophobicContact CD2-CG2 3.99Å; I1343-I1375 HydrophobicContact CD1-CD1 3.52Å; I1343-I1375 HydrophobicContact CD1-CG1 4Å; P1373-I1375 PolarHBondContact O-N 2.72Å; P1373-I1375 VanDerWaalsContact O-N 3.12Å; I1375-Y1377 HydrophobicContact CB-CD2 3.94Å; I1375-Y1377 HydrophobicContact CB-CE2 3.59Å; I1375-Y1377 HydrophobicContact CD1-CE2 4.19Å; I1375-Y1377 HydrophobicContact CG2-CD2 3.8Å; I1375-Y1377 HydrophobicContact CG2-CE1 4.33Å; I1375-Y1377 HydrophobicContact CG2-CE2 3.55Å; I1375-Y1377 HydrophobicContact CG2-CG 4.32Å; I1375-Y1377 VanDerWaalsContact O-CD2 3.23Å; I1375-Y1377 WeakPolarHBondContact O-CD2 3.43Å; I1375-Y1377 PolarHBondContact O-N 2.66Å | ||
| 1376 | P | 79.2 | Confident | 66.4 | Low | 73 Ų | 73 | 66.8 Ų | 66.8 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | trans | -81.8 | 63.1 | -170.8 | 34.2 | -37.6 | 0 | 0 | 0 | 112.1 | E1342 | E1342-P1376 HydrophobicContact CG-CG 3.9Š| ||
| 1377 | Y | 87.3 | Confident | 69.7 | Low | 52 Ų | 52 | 62.5 Ų | 62.5 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | trans | -59.2 | 139.8 | 172.6 | -64.2 | -86.6 | 0 | 0 | 0 | 111.4 | R1289 F1335 L1339 I1375 | R1289-Y1377 HydrophobicContact CB-CD1 3.59Å; R1289-Y1377 HydrophobicContact CB-CD2 4.11Å; R1289-Y1377 HydrophobicContact CB-CE1 3.73Å; R1289-Y1377 HydrophobicContact CB-CE2 4.21Å; R1289-Y1377 HydrophobicContact CB-CG 3.78Å; R1289-Y1377 HydrophobicContact CG-CD1 3.92Å; R1289-Y1377 HydrophobicContact CG-CD2 3.91Å; R1289-Y1377 HydrophobicContact CG-CE1 4.48Å; R1289-Y1377 HydrophobicContact CG-CE2 4.45Å; R1289-Y1377 HydrophobicContact CG-CG 3.6Å; R1289-Y1377 WeakPolarHBondContact O-CE1 3.43Å; F1335-Y1377 AromaticContact CE2-CE1 3.76Å; F1335-Y1377 HydrophobicContact CE2-CE1 3.76Å; F1335-Y1377 AromaticContact CZ-CE1 3.95Å; F1335-Y1377 HydrophobicContact CZ-CE1 3.95Å; F1335-Y1377 AromaticContact CZ-CZ 3.96Å; F1335-Y1377 WeakPolarHBondContact CZ-OH 3.39Å; L1339-Y1377 HydrophobicContact CD1-CD1 3.64Å; L1339-Y1377 HydrophobicContact CD1-CE1 3.8Å; I1375-Y1377 HydrophobicContact CB-CD2 3.94Å; I1375-Y1377 HydrophobicContact CB-CE2 3.59Å; I1375-Y1377 HydrophobicContact CD1-CE2 4.19Å; I1375-Y1377 HydrophobicContact CG2-CD2 3.8Å; I1375-Y1377 HydrophobicContact CG2-CE1 4.33Å; I1375-Y1377 HydrophobicContact CG2-CE2 3.55Å; I1375-Y1377 HydrophobicContact CG2-CG 4.32Å; I1375-Y1377 VanDerWaalsContact O-CD2 3.23Å; I1375-Y1377 WeakPolarHBondContact O-CD2 3.43Å; I1375-Y1377 PolarHBondContact O-N 2.66Å | ||
| 1378 | S | 91.2 | Very high | 73.1 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | trans | -138 | 164.6 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | Q1380 S1381 D1382 | S1378-Q1380 PolarHBondContact O-N 3.26Å; S1378-Q1380 VanDerWaalsContact O-N 3.13Å; S1378-Q1380 PolarHBondContact OG-N 2.7Å; S1378-S1381 PolarHBondContact N-OG 3.22Å; S1378-S1381 PolarHBondContact O-N 2.8Å; S1378-S1381 PolarHBondContact O-OG 3.1Å; S1378-S1381 PolarHBondContact OG-N 2.86Å; S1378-D1382 PolarHBondContact O-N 3.45Å; S1378-D1382 VanDerWaalsContact O-N 3.16Å | ||
| 1379 | T | 93.6 | Very high | 76.4 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.4 | -33 | 171.5 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | A1282 S1381 D1382 V1383 F1469 | A1282-T1379 HydrophobicContact CB-CG2 3.75Å; T1379-S1381 PolarHBondContact O-N 3.05Å; T1379-D1382 WeakPolarHBondContact O-CB 3.35Å; T1379-D1382 PolarHBondContact O-N 2.78Å; T1379-V1383 WeakPolarHBondContact O-CG2 3.45Å; T1379-V1383 PolarHBondContact O-N 2.95Å; T1379-F1469 HydrophobicContact CG2-CD2 3.74Å; T1379-F1469 HydrophobicContact CG2-CE2 3.77Å |
| 1380 | Q | 95.5 | Very high | 79.7 | Confident | 43 Ų | 43 | 38.5 Ų | 38.5 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.9 | -20.7 | 177.4 | -66.7 | -68.1 | 23.2 | 0 | 0 | 114.1 | S1378 P1463 R1466 | S1378-Q1380 PolarHBondContact O-N 3.26Å; S1378-Q1380 VanDerWaalsContact O-N 3.13Å; S1378-Q1380 PolarHBondContact OG-N 2.7Å; Q1380-P1463 HydrophobicContact CB-CB 4.03Å; Q1380-P1463 VanDerWaalsContact CD-O 3.24Å; Q1380-P1463 WeakPolarHBondContact CG-O 3.47Å; Q1380-P1463 PolarHBondContact NE2-O 2.86Å; Q1380-R1466 PolarHBondContact NE2-O 2.85Å; Q1380-R1466 WeakPolarHBondContact O-CD 3.43Å; Q1380-R1466 PolarHBondContact O-NH1 2.79Å; Q1380-R1466 VanDerWaalsContact OE1-CB 3.26Å |
| 1381 | S | 95.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.5 | -31.6 | 166.1 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | S1378 T1379 W1384 A1385 | S1378-S1381 PolarHBondContact N-OG 3.22Å; S1378-S1381 PolarHBondContact O-N 2.8Å; S1378-S1381 PolarHBondContact O-OG 3.1Å; S1378-S1381 PolarHBondContact OG-N 2.86Å; T1379-S1381 PolarHBondContact O-N 3.05Å; S1381-W1384 PolarHBondContact O-N 2.94Å; S1381-A1385 PolarHBondContact O-N 2.93Å |
| 1382 | D | 95.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.9 | -34.2 | 171.2 | -66.3 | -30.5 | 0 | 0 | 0 | 111.6 | M1278 V1287 H1288 R1289 S1378 T1379 W1384 A1385 F1386 F1469 | M1278-D1382 HydrophobicContact CE-CB 3.92Å; V1287-D1382 WeakPolarHBondContact CA-OD2 3.44Å; V1287-D1382 VanDerWaalsContact CG1-OD2 3.27Å; V1287-D1382 WeakPolarHBondContact CG1-OD2 2.89Å; H1288-D1382 PolarHBondContact N-OD2 2.91Å; R1289-D1382 PolarHBondContact N-OD1 2.77Å; S1378-D1382 PolarHBondContact O-N 3.45Å; S1378-D1382 VanDerWaalsContact O-N 3.16Å; T1379-D1382 WeakPolarHBondContact O-CB 3.35Å; T1379-D1382 PolarHBondContact O-N 2.78Å; D1382-W1384 VanDerWaalsContact C-N 3.34Å; D1382-W1384 PolarHBondContact O-N 2.82Å; D1382-A1385 PolarHBondContact O-N 2.82Å; D1382-F1386 WeakPolarHBondContact O-CB 3.39Å; D1382-F1386 PolarHBondContact O-N 3.42Å; D1382-F1469 HydrophobicContact CB-CE2 4.1Å; D1382-F1469 HydrophobicContact CB-CZ 4.05Å |
| 1383 | V | 97.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 112.3 | T1379 F1386 G1387 C1458 R1466 P1467 F1469 I1472 | T1379-V1383 WeakPolarHBondContact O-CG2 3.45Å; T1379-V1383 PolarHBondContact O-N 2.95Å; V1383-F1386 PolarHBondContact O-N 3.24Å; V1383-G1387 PolarHBondContact O-N 3.03Å; V1383-C1458 HydrophobicContact CG1-CB 4.14Å; V1383-R1466 HydrophobicContact CG1-CB 3.95Å; V1383-P1467 HydrophobicContact CG1-CG 4.47Å; V1383-P1467 WeakPolarHBondContact CG2-O 3.42Å; V1383-F1469 HydrophobicContact CB-CZ 4.38Å; V1383-F1469 HydrophobicContact CG2-CD1 4.43Å; V1383-F1469 HydrophobicContact CG2-CD2 4.07Å; V1383-F1469 HydrophobicContact CG2-CE1 4.04Å; V1383-F1469 HydrophobicContact CG2-CE2 3.64Å; V1383-F1469 HydrophobicContact CG2-CG 4.44Å; V1383-F1469 HydrophobicContact CG2-CZ 3.63Å; V1383-I1472 HydrophobicContact CG1-CD1 3.98Å; V1383-I1472 HydrophobicContact CG2-CD1 4.17Å |
| 1384 | W | 97.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 173 | 176.7 | -79.3 | 0 | 0 | 0 | 111.1 | F1335 A1336 P1337 S1381 D1382 F1386 G1387 I1388 L1439 W1459 | F1335-W1384 PolarHBondContact O-NE1 2.91Å; A1336-W1384 HydrophobicContact CB-CB 3.82Å; A1336-W1384 HydrophobicContact CB-CD2 4.24Å; A1336-W1384 HydrophobicContact CB-CG 3.78Å; P1337-W1384 HydrophobicContact CG-CE3 4.29Å; P1337-W1384 HydrophobicContact CG-CH2 3.57Å; P1337-W1384 HydrophobicContact CG-CZ2 3.96Å; P1337-W1384 HydrophobicContact CG-CZ3 3.73Å; S1381-W1384 PolarHBondContact O-N 2.94Å; D1382-W1384 VanDerWaalsContact C-N 3.34Å; D1382-W1384 PolarHBondContact O-N 2.82Å; W1384-F1386 PolarHBondContact O-N 2.77Å; W1384-G1387 PolarHBondContact O-N 2.98Å; W1384-I1388 PolarHBondContact O-N 3.43Å; W1384-L1439 HydrophobicContact CZ2-CD2 4.2Å; W1384-L1439 HydrophobicContact CZ2-CG 4.36Å; W1384-W1459 AromaticContact CD2-CD1 3.94Å; W1384-W1459 HydrophobicContact CE3-CB 4.12Å; W1384-W1459 HydrophobicContact CH2-CB 4.15Å; W1384-W1459 HydrophobicContact CZ3-CB 3.81Å; W1384-W1459 WeakPolarHBondContact CZ3-O 3.24Å; W1384-W1459 PolarHBondContact O-NE1 2.9Å |
| 1385 | A | 96.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1291 W1334 S1381 D1382 G1387 I1388 L1389 | L1291-A1385 HydrophobicContact CB-CB 4.09Å; W1334-A1385 HydrophobicContact CB-CB 4.26Å; S1381-A1385 PolarHBondContact O-N 2.93Å; D1382-A1385 PolarHBondContact O-N 2.82Å; A1385-G1387 VanDerWaalsContact C-N 3.3Å; A1385-G1387 PolarHBondContact O-N 2.95Å; A1385-I1388 WeakPolarHBondContact O-CB 3.49Å; A1385-I1388 PolarHBondContact O-N 3.28Å; A1385-I1388 VanDerWaalsContact O-N 3.11Å; A1385-L1389 PolarHBondContact O-N 2.87Å |
| 1386 | F | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.5 | -41.7 | 172.4 | 176.5 | -89.5 | 0 | 0 | 0 | 111.9 | L1274 A1275 L1291 D1382 V1383 W1384 I1388 L1389 V1390 F1469 I1472 I1476 | L1274-F1386 HydrophobicContact CB-CE2 3.93Å; A1275-F1386 HydrophobicContact CB-CE2 4.22Å; A1275-F1386 HydrophobicContact CB-CZ 4.07Å; L1291-F1386 HydrophobicContact CD2-CB 3.89Å; L1291-F1386 HydrophobicContact CD2-CD2 4.45Å; D1382-F1386 WeakPolarHBondContact O-CB 3.39Å; D1382-F1386 PolarHBondContact O-N 3.42Å; V1383-F1386 PolarHBondContact O-N 3.24Å; W1384-F1386 PolarHBondContact O-N 2.77Å; F1386-I1388 VanDerWaalsContact C-N 3.3Å; F1386-I1388 PolarHBondContact O-N 2.88Å; F1386-L1389 WeakPolarHBondContact O-CB 3.19Å; F1386-L1389 PolarHBondContact O-N 3.34Å; F1386-V1390 HydrophobicContact CD1-CG2 4.25Å; F1386-V1390 HydrophobicContact CE1-CG2 3.75Å; F1386-V1390 HydrophobicContact CZ-CG2 3.97Å; F1386-V1390 PolarHBondContact O-N 3.22Å; F1386-F1469 HydrophobicContact CB-CE1 3.87Å; F1386-F1469 HydrophobicContact CB-CZ 4.29Å; F1386-F1469 AromaticContact CD2-CE1 3.97Å; F1386-F1469 HydrophobicContact CD2-CE1 3.97Å; F1386-F1469 AromaticContact CG-CE1 3.9Å; F1386-F1469 HydrophobicContact CG-CE1 3.9Å; F1386-I1472 HydrophobicContact CD1-CD1 4.41Å; F1386-I1472 HydrophobicContact CD1-CG2 4.22Å; F1386-I1472 HydrophobicContact CE1-CG2 3.47Å; F1386-I1472 VanDerWaalsContact CE1-CG2 3.47Å; F1386-I1472 HydrophobicContact CZ-CG2 3.71Å; F1386-I1476 HydrophobicContact CE1-CD1 3.93Å; F1386-I1476 HydrophobicContact CZ-CD1 3.73Å |
| 1387 | G | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1383 W1384 A1385 V1390 C1391 W1459 | V1383-G1387 PolarHBondContact O-N 3.03Å; W1384-G1387 PolarHBondContact O-N 2.98Å; A1385-G1387 VanDerWaalsContact C-N 3.3Å; A1385-G1387 PolarHBondContact O-N 2.95Å; G1387-V1390 PolarHBondContact O-N 2.9Å; G1387-C1391 PolarHBondContact O-N 2.9Å; G1387-W1459 WeakPolarHBondContact O-CZ2 3.44Å |
| 1388 | I | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.1 | -56.6 | -61.9 | 0 | 0 | 0 | 111.4 | W1334 W1384 A1385 F1386 V1390 C1391 E1392 P1400 P1441 W1459 | W1334-I1388 HydrophobicContact CG-CG2 4.09Å; W1384-I1388 PolarHBondContact O-N 3.43Å; A1385-I1388 WeakPolarHBondContact O-CB 3.49Å; A1385-I1388 PolarHBondContact O-N 3.28Å; A1385-I1388 VanDerWaalsContact O-N 3.11Å; F1386-I1388 VanDerWaalsContact C-N 3.3Å; F1386-I1388 PolarHBondContact O-N 2.88Å; I1388-V1390 VanDerWaalsContact C-N 3.34Å; I1388-V1390 PolarHBondContact O-N 2.76Å; I1388-C1391 CarbonylContact O-C 3.5Å; I1388-C1391 WeakPolarHBondContact O-CA 3.38Å; I1388-C1391 WeakPolarHBondContact O-CB 3.45Å; I1388-C1391 PolarHBondContact O-N 2.95Å; I1388-E1392 PolarHBondContact O-N 3.24Å; I1388-P1400 HydrophobicContact CG2-CB 3.55Å; I1388-P1400 HydrophobicContact CG2-CG 3.47Å; I1388-P1400 VanDerWaalsContact CG2-CG 3.47Å; I1388-P1441 HydrophobicContact CD1-CB 3.87Å; I1388-P1441 HydrophobicContact CD1-CG 3.51Å; I1388-W1459 HydrophobicContact CD1-CZ2 4.22Å |
| 1389 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 177 | 173.5 | 55.6 | 0 | 0 | 0 | 112.5 | L1242 L1274 L1291 A1293 V1296 A1385 F1386 C1391 E1392 V1393 | L1242-L1389 HydrophobicContact CD2-CD1 4.44Å; L1274-L1389 HydrophobicContact CD1-CD2 3.85Å; L1274-L1389 HydrophobicContact CD1-CG 4.07Å; L1274-L1389 HydrophobicContact CD2-CD2 4.22Å; L1291-L1389 HydrophobicContact CD1-CD2 3.92Å; L1291-L1389 HydrophobicContact CG-CD2 4Å; A1293-L1389 HydrophobicContact CB-CD1 3.79Å; V1296-L1389 HydrophobicContact CG2-CD2 4.34Å; A1385-L1389 PolarHBondContact O-N 2.87Å; F1386-L1389 WeakPolarHBondContact O-CB 3.19Å; F1386-L1389 PolarHBondContact O-N 3.34Å; L1389-C1391 VanDerWaalsContact C-N 3.3Å; L1389-C1391 PolarHBondContact O-N 2.82Å; L1389-E1392 WeakPolarHBondContact O-CB 3.4Å; L1389-E1392 PolarHBondContact O-N 3.09Å; L1389-E1392 VanDerWaalsContact O-N 3.14Å; L1389-V1393 PolarHBondContact O-N 3.26Å |
| 1390 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | F1386 G1387 I1388 V1393 F1394 L1451 L1455 | F1386-V1390 HydrophobicContact CD1-CG2 4.25Å; F1386-V1390 HydrophobicContact CE1-CG2 3.75Å; F1386-V1390 HydrophobicContact CZ-CG2 3.97Å; F1386-V1390 PolarHBondContact O-N 3.22Å; G1387-V1390 PolarHBondContact O-N 2.9Å; I1388-V1390 VanDerWaalsContact C-N 3.34Å; I1388-V1390 PolarHBondContact O-N 2.76Å; V1390-V1393 PolarHBondContact O-N 2.84Å; V1390-F1394 HydrophobicContact CG1-CD2 4.02Å; V1390-F1394 HydrophobicContact CG1-CE2 4.33Å; V1390-F1394 PolarHBondContact O-N 3.04Å; V1390-L1451 HydrophobicContact CG1-CD2 3.99Å; V1390-L1451 HydrophobicContact CG1-CG 4.44Å; V1390-L1455 HydrophobicContact CB-CD2 3.8Å; V1390-L1455 HydrophobicContact CG1-CD1 4Å; V1390-L1455 HydrophobicContact CG1-CD2 3.96Å; V1390-L1455 HydrophobicContact CG1-CG 4.48Å; V1390-L1455 HydrophobicContact CG2-CD2 4.19Å |
| 1391 | C | 94.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 12 Ų | 12 | 10% | 0.095 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | 172.7 | -71.1 | 0 | 0 | 0 | 0 | 113.2 | G1387 I1388 L1389 S1395 V1444 W1459 | G1387-C1391 PolarHBondContact O-N 2.9Å; I1388-C1391 CarbonylContact O-C 3.5Å; I1388-C1391 WeakPolarHBondContact O-CA 3.38Å; I1388-C1391 WeakPolarHBondContact O-CB 3.45Å; I1388-C1391 PolarHBondContact O-N 2.95Å; L1389-C1391 VanDerWaalsContact C-N 3.3Å; L1389-C1391 PolarHBondContact O-N 2.82Å; C1391-S1395 WeakPolarHBondContact O-CB 3.49Å; C1391-S1395 PolarHBondContact O-N 2.68Å; C1391-S1395 PolarHBondContact O-OG 3.37Å; C1391-V1444 HydrophobicContact CB-CG2 4.43Å; C1391-W1459 VanDerWaalsContact SG-CH2 3.58Å |
| 1392 | E | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 169.1 | -68.4 | -169.7 | 94.2 | 0 | 0 | 110.8 | K1243 A1293 W1334 I1388 L1389 S1395 L1396 A1397 P1400 | K1243-E1392 IonicContact NZ-OE1 3.74Å; K1243-E1392 PolarHBondContact NZ-OE1 3.1Å; A1293-E1392 HydrophobicContact CB-CB 4.14Å; A1293-E1392 PolarHBondContact N-OE2 3.12Å; W1334-E1392 PolarHBondContact NE1-OE2 3.28Å; I1388-E1392 PolarHBondContact O-N 3.24Å; L1389-E1392 WeakPolarHBondContact O-CB 3.4Å; L1389-E1392 PolarHBondContact O-N 3.09Å; L1389-E1392 VanDerWaalsContact O-N 3.14Å; E1392-S1395 PolarHBondContact O-OG 3.03Å; E1392-L1396 PolarHBondContact O-N 3.43Å; E1392-A1397 PolarHBondContact O-N 3.09Å; E1392-P1400 HydrophobicContact CG-CG 4.01Å |
| 1393 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | L1242 L1246 K1267 I1270 L1389 V1390 L1396 | L1242-V1393 HydrophobicContact CD2-CG2 4.18Å; L1246-V1393 HydrophobicContact CD1-CG2 4.33Å; K1267-V1393 HydrophobicContact CB-CG1 4.07Å; K1267-V1393 HydrophobicContact CG-CG1 4.22Å; I1270-V1393 HydrophobicContact CG2-CG1 4.23Å; I1270-V1393 HydrophobicContact CG2-CG2 3.9Å; L1389-V1393 PolarHBondContact O-N 3.26Å; V1390-V1393 PolarHBondContact O-N 2.84Å; V1393-L1396 PolarHBondContact O-N 3.08Å |
| 1394 | F | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.2 | -37.8 | -176.6 | -90.1 | -95.1 | 0 | 0 | 0 | 113.4 | K1267 M1268 V1390 L1396 D1446 I1447 L1451 | K1267-F1394 HydrophobicContact CB-CE1 4.31Å; K1267-F1394 HydrophobicContact CB-CE2 4.06Å; K1267-F1394 HydrophobicContact CB-CZ 3.93Å; K1267-F1394 HydrophobicContact CD-CD1 3.92Å; K1267-F1394 HydrophobicContact CD-CE1 4.02Å; K1267-F1394 HydrophobicContact CD-CG 4.26Å; K1267-F1394 HydrophobicContact CD-CZ 4.46Å; K1267-F1394 PolarHBondContact NZ-O 2.91Å; M1268-F1394 HydrophobicContact CG-CZ 4.44Å; M1268-F1394 HydrophobicContact SD-CE2 4.41Å; M1268-F1394 HydrophobicContact SD-CZ 3.98Å; V1390-F1394 HydrophobicContact CG1-CD2 4.02Å; V1390-F1394 HydrophobicContact CG1-CE2 4.33Å; V1390-F1394 PolarHBondContact O-N 3.04Å; F1394-L1396 VanDerWaalsContact C-N 3.29Å; F1394-L1396 PolarHBondContact O-N 3.31Å; F1394-D1446 HydrophobicContact CD1-CB 4.33Å; F1394-D1446 WeakPolarHBondContact CD1-O 3.43Å; F1394-D1446 WeakPolarHBondContact CE1-O 3.26Å; F1394-I1447 HydrophobicContact CB-CD1 4.18Å; F1394-I1447 HydrophobicContact CB-CG1 3.61Å; F1394-I1447 HydrophobicContact CD1-CG1 3.86Å; F1394-I1447 HydrophobicContact CD2-CG1 4.28Å; F1394-I1447 HydrophobicContact CG-CG1 3.63Å; F1394-L1451 HydrophobicContact CD2-CD2 4.36Å; F1394-L1451 HydrophobicContact CE2-CD2 3.6Å; F1394-L1451 HydrophobicContact CZ-CD2 3.9Å |
| 1395 | S | 91.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.7 | -8 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 115.2 | R1250 C1391 E1392 A1398 | R1250-S1395 PolarHBondContact NH2-O 3.45Å; C1391-S1395 WeakPolarHBondContact O-CB 3.49Å; C1391-S1395 PolarHBondContact O-N 2.68Å; C1391-S1395 PolarHBondContact O-OG 3.37Å; E1392-S1395 PolarHBondContact O-OG 3.03Å; S1395-A1398 WeakPolarHBondContact OG-CB 3.25Å; S1395-A1398 PolarHBondContact OG-N 2.81Å |
| 1396 | L | 91.5 | Very high | 90.8 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 54.5 | -167.7 | -52.7 | 178.2 | 0 | 0 | 0 | 112.5 | L1246 M1249 R1250 L1262 E1392 V1393 F1394 | L1246-L1396 HydrophobicContact CD2-CD2 3.87Å; M1249-L1396 HydrophobicContact CB-CD2 4.49Å; R1250-L1396 HydrophobicContact CB-CB 4Å; R1250-L1396 HydrophobicContact CB-CD1 4.13Å; R1250-L1396 PolarHBondContact NE-O 2.82Å; R1250-L1396 PolarHBondContact NH1-O 3.45Å; R1250-L1396 PolarHBondContact NH2-O 3.24Å; L1262-L1396 HydrophobicContact CD1-CD2 4.1Å; E1392-L1396 PolarHBondContact O-N 3.43Å; V1393-L1396 PolarHBondContact O-N 3.08Å; F1394-L1396 VanDerWaalsContact C-N 3.29Å; F1394-L1396 PolarHBondContact O-N 3.31Å |
| 1397 | A | 91.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 54.9 | 60.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1243 L1246 R1247 R1250 E1392 | K1243-A1397 HydrophobicContact CG-CB 3.88Å; L1246-A1397 HydrophobicContact CB-CB 3.89Å; R1247-A1397 HydrophobicContact CG-CB 3.98Å; R1250-A1397 PolarHBondContact NH1-O 2.59Å; R1250-A1397 VanDerWaalsContact NH2-C 3.29Å; R1250-A1397 PolarHBondContact NH2-O 3.39Å; E1392-A1397 PolarHBondContact O-N 3.09Å |
| 1398 | A | 88.1 | Confident | 89.6 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -76.7 | 148.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R1250 S1395 P1400 | R1250-A1398 VanDerWaalsContact NH2-CA 3.31Å; S1395-A1398 WeakPolarHBondContact OG-CB 3.25Å; S1395-A1398 PolarHBondContact OG-N 2.81Å; A1398-P1400 VanDerWaalsContact O-CD 3.27Å; A1398-P1400 WeakPolarHBondContact O-CD 3.42Å |
| 1399 | L | 87.1 | Confident | 89.3 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -61 | 120.9 | 172.3 | 179.6 | 66.9 | 0 | 0 | 0 | 109.4 | A1402 | L1399-A1402 HydrophobicContact CB-CB 4.3Å; L1399-A1402 WeakPolarHBondContact O-CB 3.22Å; L1399-A1402 PolarHBondContact O-N 2.85Å |
| 1400 | P | 89.9 | Confident | 88.9 | Confident | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 142.1 | 177.1 | -24.4 | 35.7 | 0 | 0 | 0 | 111.5 | R1333 W1334 I1388 E1392 A1398 A1402 | R1333-P1400 HydrophobicContact CB-CB 4.44Å; R1333-P1400 WeakPolarHBondContact CD-O 3.46Å; R1333-P1400 PolarHBondContact NH1-O 2.9Å; W1334-P1400 HydrophobicContact CH2-CG 4.45Å; W1334-P1400 HydrophobicContact CZ2-CG 3.84Å; I1388-P1400 HydrophobicContact CG2-CB 3.55Å; I1388-P1400 HydrophobicContact CG2-CG 3.47Å; I1388-P1400 VanDerWaalsContact CG2-CG 3.47Å; E1392-P1400 HydrophobicContact CG-CG 4.01Å; A1398-P1400 VanDerWaalsContact O-CD 3.27Å; A1398-P1400 WeakPolarHBondContact O-CD 3.42Å; P1400-A1402 PolarHBondContact O-N 2.83Å |
| 1401 | L | 89.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.7 | -179 | -55.2 | 167 | 0 | 0 | 0 | 113.1 | R1333 R1403 L1404 I1409 L1439 P1441 | R1333-L1401 VanDerWaalsContact NH1-C 3.3Å; R1333-L1401 PolarHBondContact NH1-O 3.43Å; L1401-R1403 PolarHBondContact O-N 3.29Å; L1401-L1404 HydrophobicContact CD2-CD1 4.35Å; L1401-L1404 PolarHBondContact O-N 2.73Å; L1401-I1409 HydrophobicContact CB-CD1 3.86Å; L1401-I1409 HydrophobicContact CB-CG1 4.43Å; L1401-I1409 HydrophobicContact CD1-CD1 3.85Å; L1401-I1409 HydrophobicContact CD1-CG1 4.07Å; L1401-I1409 HydrophobicContact CD1-CG2 4.28Å; L1401-L1439 HydrophobicContact CD1-CD1 4.15Å; L1401-L1439 HydrophobicContact CD2-CD1 4.37Å; L1401-P1441 HydrophobicContact CD2-CB 4.2Å; L1401-P1441 HydrophobicContact CD2-CG 4.4Å |
| 1402 | A | 81.9 | Confident | 87.9 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 59% | 0.587 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1399 P1400 L1404 | L1399-A1402 HydrophobicContact CB-CB 4.3Å; L1399-A1402 WeakPolarHBondContact O-CB 3.22Å; L1399-A1402 PolarHBondContact O-N 2.85Å; P1400-A1402 PolarHBondContact O-N 2.83Å; A1402-L1404 VanDerWaalsContact C-N 3.3Å |
| 1403 | R | 81.3 | Confident | 87.7 | Confident | 202 Ų | 202 | 45.3 Ų | 45.3 | 76% | 0.762 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.2 | 173.9 | -66.8 | -177.7 | 173.6 | 113 | -3.1 | 114.2 | L1401 D1442 | L1401-R1403 PolarHBondContact O-N 3.29Å; R1403-D1442 IonicContact CZ-OD2 3.39Å; R1403-D1442 VanDerWaalsContact NH1-CG 3.25Å; R1403-D1442 IonicContact NH1-OD1 3.78Å; R1403-D1442 IonicContact NH1-OD2 2.91Å; R1403-D1442 PolarHBondContact NH1-OD2 2.8Å |
| 1404 | L | 83.2 | Confident | 87.2 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 29% | 0.293 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -117.7 | 136.9 | -175.7 | -57.9 | 179.7 | 0 | 0 | 0 | 111.2 | R1333 L1401 A1402 E1408 I1409 L1439 | R1333-L1404 PolarHBondContact NH1-O 3.32Å; R1333-L1404 PolarHBondContact NH2-O 3.29Å; L1401-L1404 HydrophobicContact CD2-CD1 4.35Å; L1401-L1404 PolarHBondContact O-N 2.73Å; A1402-L1404 VanDerWaalsContact C-N 3.3Å; L1404-E1408 HydrophobicContact CB-CB 4.35Å; L1404-E1408 HydrophobicContact CD2-CB 4.42Å; L1404-I1409 HydrophobicContact CB-CD1 4.28Å; L1404-I1409 HydrophobicContact CB-CG1 3.8Å; L1404-I1409 HydrophobicContact CD1-CG1 4.18Å; L1404-L1439 HydrophobicContact CD1-CD1 4.31Å |
| 1405 | S | 85.5 | Confident | 86.6 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | trans | -71.4 | 159.3 | 165.3 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | Q1407 E1408 I1409 | S1405-Q1407 PolarHBondContact O-N 2.8Å; S1405-E1408 WeakPolarHBondContact CB-OE2 3.47Å; S1405-E1408 PolarHBondContact N-OE2 3.44Å; S1405-E1408 PolarHBondContact O-N 2.86Å; S1405-E1408 WeakPolarHBondContact OG-CG 3.4Å; S1405-E1408 PolarHBondContact OG-N 3.11Å; S1405-E1408 PolarHBondContact OG-OE2 2.81Å; S1405-I1409 WeakPolarHBondContact O-CG1 3.19Å; S1405-I1409 PolarHBondContact O-N 2.79Å | ||
| 1406 | D | 85.6 | Confident | 86.2 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -33.2 | -179.5 | -62.9 | -12.4 | 0 | 0 | 0 | 112.4 | Y1321 L1332 R1333 I1409 I1410 | Y1321-D1406 HydrophobicContact CD2-CB 4.04Å; Y1321-D1406 HydrophobicContact CE2-CB 4.3Å; L1332-D1406 HydrophobicContact CD2-CB 3.72Å; R1333-D1406 IonicContact CZ-OD1 3.16Å; R1333-D1406 IonicContact NE-OD1 3.85Å; R1333-D1406 PolarHBondContact NE-OD1 3.35Å; R1333-D1406 IonicContact NH2-OD1 3.7Å; R1333-D1406 PolarHBondContact NH2-OD1 3.05Å; D1406-I1409 PolarHBondContact O-N 3.48Å; D1406-I1410 VanDerWaalsContact O-CG1 3.3Å; D1406-I1410 WeakPolarHBondContact O-CG1 3.19Å; D1406-I1410 PolarHBondContact O-N 3.03Å |
| 1407 | Q | 83.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | 176.8 | -173.1 | 61.4 | 32.1 | 0 | 0 | 112.1 | S1405 I1410 V1411 | S1405-Q1407 PolarHBondContact O-N 2.8Å; Q1407-I1410 PolarHBondContact O-N 3.41Å; Q1407-V1411 WeakPolarHBondContact O-CG2 3.3Å; Q1407-V1411 PolarHBondContact O-N 3.13Å |
| 1408 | E | 84.3 | Confident | 85 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 174.5 | -69.4 | 161.5 | 121.4 | 0 | 0 | 111.2 | L1404 S1405 V1411 A1412 | L1404-E1408 HydrophobicContact CB-CB 4.35Å; L1404-E1408 HydrophobicContact CD2-CB 4.42Å; S1405-E1408 WeakPolarHBondContact CB-OE2 3.47Å; S1405-E1408 PolarHBondContact N-OE2 3.44Å; S1405-E1408 PolarHBondContact O-N 2.86Å; S1405-E1408 WeakPolarHBondContact OG-CG 3.4Å; S1405-E1408 PolarHBondContact OG-N 3.11Å; S1405-E1408 PolarHBondContact OG-OE2 2.81Å; E1408-V1411 PolarHBondContact O-N 3.36Å; E1408-A1412 WeakPolarHBondContact O-CB 3.33Å; E1408-A1412 PolarHBondContact O-N 2.81Å |
| 1409 | I | 90.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.4 | -63.3 | 171.5 | 0 | 0 | 0 | 110.7 | L1332 R1333 I1340 L1401 L1404 S1405 D1406 G1413 L1439 | L1332-I1409 HydrophobicContact CD1-CG2 4.19Å; L1332-I1409 HydrophobicContact CG-CG2 4.07Å; R1333-I1409 HydrophobicContact CG-CD1 3.79Å; I1340-I1409 HydrophobicContact CD1-CG2 4.42Å; L1401-I1409 HydrophobicContact CB-CD1 3.86Å; L1401-I1409 HydrophobicContact CB-CG1 4.43Å; L1401-I1409 HydrophobicContact CD1-CD1 3.85Å; L1401-I1409 HydrophobicContact CD1-CG1 4.07Å; L1401-I1409 HydrophobicContact CD1-CG2 4.28Å; L1404-I1409 HydrophobicContact CB-CD1 4.28Å; L1404-I1409 HydrophobicContact CB-CG1 3.8Å; L1404-I1409 HydrophobicContact CD1-CG1 4.18Å; S1405-I1409 WeakPolarHBondContact O-CG1 3.19Å; S1405-I1409 PolarHBondContact O-N 2.79Å; D1406-I1409 PolarHBondContact O-N 3.48Å; I1409-G1413 PolarHBondContact O-N 3.4Å; I1409-L1439 HydrophobicContact CG2-CD2 4.47Å |
| 1410 | I | 88.5 | Confident | 82.9 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.1 | -70.8 | 163.3 | 0 | 0 | 0 | 110.8 | Y1321 L1332 I1340 T1344 D1406 Q1407 G1413 Q1414 | Y1321-I1410 HydrophobicContact CE1-CD1 4.14Å; Y1321-I1410 HydrophobicContact CE2-CD1 4.06Å; L1332-I1410 HydrophobicContact CD1-CG1 3.94Å; L1332-I1410 HydrophobicContact CD2-CD1 4.12Å; L1332-I1410 HydrophobicContact CD2-CG1 3.97Å; I1340-I1410 HydrophobicContact CG2-CG2 4.41Å; T1344-I1410 HydrophobicContact CG2-CG2 4.03Å; D1406-I1410 VanDerWaalsContact O-CG1 3.3Å; D1406-I1410 WeakPolarHBondContact O-CG1 3.19Å; D1406-I1410 PolarHBondContact O-N 3.03Å; Q1407-I1410 PolarHBondContact O-N 3.41Å; I1410-G1413 PolarHBondContact O-N 3.25Å; I1410-Q1414 WeakPolarHBondContact O-CB 3.16Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.41Å; I1410-Q1414 PolarHBondContact O-N 2.76Å |
| 1411 | V | 84.1 | Confident | 81.1 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | -178.5 | 170 | 0 | 0 | 0 | 0 | 111.7 | Q1407 E1408 R1415 | Q1407-V1411 WeakPolarHBondContact O-CG2 3.3Å; Q1407-V1411 PolarHBondContact O-N 3.13Å; E1408-V1411 PolarHBondContact O-N 3.36Å; V1411-R1415 VanDerWaalsContact O-CG 3.26Å; V1411-R1415 WeakPolarHBondContact O-CG 3.32Å; V1411-R1415 PolarHBondContact O-N 2.82Å |
| 1412 | A | 85.8 | Confident | 78.9 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1408 R1415 T1416 L1439 | E1408-A1412 WeakPolarHBondContact O-CB 3.33Å; E1408-A1412 PolarHBondContact O-N 2.81Å; A1412-R1415 PolarHBondContact O-N 3.13Å; A1412-T1416 VanDerWaalsContact O-CB 3.31Å; A1412-T1416 WeakPolarHBondContact O-CB 3.47Å; A1412-T1416 PolarHBondContact O-N 2.92Å; A1412-T1416 PolarHBondContact O-OG1 3.41Å; A1412-L1439 HydrophobicContact CB-CB 3.83Å; A1412-L1439 HydrophobicContact CB-CD1 4.09Å; A1412-L1439 HydrophobicContact CB-CG 4.46Å |
| 1413 | G | 89.2 | Confident | 77 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1409 I1410 R1415 T1416 A1417 | I1409-G1413 PolarHBondContact O-N 3.4Å; I1410-G1413 PolarHBondContact O-N 3.25Å; G1413-R1415 PolarHBondContact O-N 2.83Å; G1413-T1416 PolarHBondContact O-N 3.38Å; G1413-T1416 VanDerWaalsContact O-N 3.14Å; G1413-A1417 PolarHBondContact O-N 3.49Å |
| 1414 | Q | 84.7 | Confident | 74.7 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 173.7 | -76.2 | 177.8 | -24 | 0 | 0 | 112.2 | I1340 T1344 I1410 T1416 A1417 M1418 | I1340-Q1414 HydrophobicContact CG2-CG 4.41Å; T1344-Q1414 VanDerWaalsContact CB-NE2 3.31Å; T1344-Q1414 PolarHBondContact OG1-NE2 3.19Å; I1410-Q1414 WeakPolarHBondContact O-CB 3.16Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.41Å; I1410-Q1414 PolarHBondContact O-N 2.76Å; Q1414-T1416 VanDerWaalsContact C-N 3.29Å; Q1414-T1416 PolarHBondContact O-N 3.34Å; Q1414-A1417 PolarHBondContact O-N 3Å; Q1414-M1418 VanDerWaalsContact O-CG 3.29Å; Q1414-M1418 WeakPolarHBondContact O-CG 3.45Å; Q1414-M1418 PolarHBondContact O-N 3.14Å |
| 1415 | R | 81.1 | Confident | 72.2 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 48% | 0.475 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.6 | -70.9 | 172.7 | -169.7 | -163.9 | 7.3 | 112 | V1411 A1412 G1413 M1418 L1419 S1436 | V1411-R1415 VanDerWaalsContact O-CG 3.26Å; V1411-R1415 WeakPolarHBondContact O-CG 3.32Å; V1411-R1415 PolarHBondContact O-N 2.82Å; A1412-R1415 PolarHBondContact O-N 3.13Å; G1413-R1415 PolarHBondContact O-N 2.83Å; R1415-M1418 PolarHBondContact O-N 3.17Å; R1415-L1419 PolarHBondContact O-N 3.31Å; R1415-L1419 VanDerWaalsContact O-N 3.12Å; R1415-S1436 PolarHBondContact NH1-OG 3.11Å; R1415-S1436 VanDerWaalsContact NH1-OG 3.07Å |
| 1416 | T | 84.5 | Confident | 69.5 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | P1337 A1412 G1413 Q1414 P1438 L1439 P1461 | P1337-T1416 HydrophobicContact CB-CG2 3.98Å; P1337-T1416 HydrophobicContact CG-CG2 3.72Å; A1412-T1416 VanDerWaalsContact O-CB 3.31Å; A1412-T1416 WeakPolarHBondContact O-CB 3.47Å; A1412-T1416 PolarHBondContact O-N 2.92Å; A1412-T1416 PolarHBondContact O-OG1 3.41Å; G1413-T1416 PolarHBondContact O-N 3.38Å; G1413-T1416 VanDerWaalsContact O-N 3.14Å; Q1414-T1416 VanDerWaalsContact C-N 3.29Å; Q1414-T1416 PolarHBondContact O-N 3.34Å; T1416-P1438 HydrophobicContact CG2-CB 4.46Å; T1416-L1439 WeakPolarHBondContact OG1-CB 3.48Å; T1416-L1439 PolarHBondContact OG1-N 2.84Å; T1416-P1461 HydrophobicContact CG2-CB 3.78Å; T1416-P1461 HydrophobicContact CG2-CG 4.01Å |
| 1417 | A | 82.8 | Confident | 66.8 | Low | 5 Ų | 5 | 74.1 Ų | 74.1 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1337 H1341 G1413 Q1414 L1419 I1420 | P1337-A1417 HydrophobicContact CB-CB 4.39Å; H1341-A1417 HydrophobicContact CB-CB 3.57Å; G1413-A1417 PolarHBondContact O-N 3.49Å; Q1414-A1417 PolarHBondContact O-N 3Å; A1417-L1419 PolarHBondContact O-N 3.11Å; A1417-I1420 VanDerWaalsContact O-CB 3.28Å; A1417-I1420 WeakPolarHBondContact O-CB 3.35Å; A1417-I1420 WeakPolarHBondContact O-CG1 3.48Å; A1417-I1420 PolarHBondContact O-N 3.5Å |
| 1418 | M | 73.3 | Confident | 64.6 | Low | 94 Ų | 94 | 78.5 Ų | 78.5 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -27.2 | 178.4 | -72.8 | 175.1 | -176.4 | 0 | 0 | 113.5 | Q1414 R1415 I1420 N1421 | Q1414-M1418 VanDerWaalsContact O-CG 3.29Å; Q1414-M1418 WeakPolarHBondContact O-CG 3.45Å; Q1414-M1418 PolarHBondContact O-N 3.14Å; R1415-M1418 PolarHBondContact O-N 3.17Å; M1418-I1420 PolarHBondContact O-N 3.23Å; M1418-N1421 PolarHBondContact O-N 2.84Å |
| 1419 | L | 69.2 | Low | 62.2 | Low | 112 Ų | 112 | 78.7 Ų | 78.7 | 59% | 0.586 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -25.1 | 171.5 | -75.2 | 170 | 0 | 0 | 0 | 113.2 | R1415 A1417 P1438 | R1415-L1419 PolarHBondContact O-N 3.31Å; R1415-L1419 VanDerWaalsContact O-N 3.12Å; A1417-L1419 PolarHBondContact O-N 3.11Å; L1419-P1438 HydrophobicContact CD1-CB 4.22Å |
| 1420 | I | 63.1 | Low | 59.4 | Low | 47 Ų | 47 | 88 Ų | 88 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -75.8 | -36.5 | -179.6 | -49.6 | 169.4 | 0 | 0 | 0 | 111.1 | A1417 M1418 T1423 P1461 | A1417-I1420 VanDerWaalsContact O-CB 3.28Å; A1417-I1420 WeakPolarHBondContact O-CB 3.35Å; A1417-I1420 WeakPolarHBondContact O-CG1 3.48Å; A1417-I1420 PolarHBondContact O-N 3.5Å; M1418-I1420 PolarHBondContact O-N 3.23Å; I1420-T1423 PolarHBondContact O-OG1 2.67Å; I1420-P1461 WeakPolarHBondContact CD1-O 3.23Å |
| 1421 | N | 51.3 | Low | 56.7 | Low | 99 Ų | 99 | 94.4 Ų | 94.4 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -86.6 | -17.1 | -171 | -69 | -7.2 | 0 | 0 | 0 | 114.2 | M1418 T1423 S1424 | M1418-N1421 PolarHBondContact O-N 2.84Å; N1421-T1423 PolarHBondContact O-N 2.8Å; N1421-T1423 VanDerWaalsContact O-N 3.12Å; N1421-S1424 PolarHBondContact O-N 2.89Å; N1421-S1424 PolarHBondContact O-OG 3.17Å |
| 1422 | N | 44.1 | Very low | 53.9 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 8.8 | -172.4 | -93.8 | -21.3 | 0 | 0 | 0 | 115.5 | S1424 | N1422-S1424 VanDerWaalsContact C-N 3.29Š|
| 1423 | T | 40.6 | Very low | 51.5 | Low | 137 Ų | 137 | 104.1 Ų | 104.1 | 84% | 0.84 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -14.1 | 166.8 | 26.1 | 0 | 0 | 0 | 0 | 113.5 | I1420 N1421 | I1420-T1423 PolarHBondContact O-OG1 2.67Å; N1421-T1423 PolarHBondContact O-N 2.8Å; N1421-T1423 VanDerWaalsContact O-N 3.12Å |
| 1424 | S | 34.7 | Very low | 48.8 | Very low | 102 Ų | 102 | 110.2 Ų | 110.2 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -111.6 | 75.4 | 176.3 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | N1421 N1422 | N1421-S1424 PolarHBondContact O-N 2.89Å; N1421-S1424 PolarHBondContact O-OG 3.17Å; N1422-S1424 VanDerWaalsContact C-N 3.29Å |
| 1425 | G | 30.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | trans | 61.7 | 63.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1426 | F | 28 | Very low | 44.9 | Very low | 187 Ų | 187 | 112.7 Ų | 112.7 | 82% | 0.82 | 63% | 0.628 | S | S | * | * | trans | -126.3 | 153.9 | 155.3 | -129.2 | -98.9 | 0 | 0 | 0 | 111.9 | ||||
| 1427 | T | 28.9 | Very low | 43.6 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -77.2 | 133 | -162 | 42.7 | 0 | 0 | 0 | 0 | 113.9 | S1429 | T1427-S1429 PolarHBondContact O-N 2.96Š| ||
| 1428 | K | 37.2 | Very low | 42.9 | Very low | 211 Ų | 211 | 120.2 Ų | 120.2 | 92% | 0.917 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -65.9 | 7.7 | -174.3 | -97.4 | -174.7 | 174.7 | -177.7 | 0 | 116.6 | K1430 | K1428-K1430 PolarHBondContact O-N 3.26Š|
| 1429 | S | 33.4 | Very low | 43.4 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 8 | -163.1 | 55.4 | 0 | 0 | 0 | 0 | 116.4 | T1427 | T1427-S1429 PolarHBondContact O-N 2.96Š|
| 1430 | K | 32 | Very low | 43.9 | Very low | 197 Ų | 197 | 116.6 Ų | 116.6 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | 26.9 | -174 | -126.5 | 178.9 | -173.2 | -177.6 | 0 | 117.8 | K1428 | K1428-K1430 PolarHBondContact O-N 3.26Š|
| 1431 | L | 31.5 | Very low | 44.9 | Very low | 148 Ų | 148 | 114.8 Ų | 114.8 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | -129.9 | 41.1 | 170.4 | -140 | 85.7 | 0 | 0 | 0 | 113.8 | T1433 | L1431-T1433 PolarHBondContact O-N 2.7Å; L1431-T1433 VanDerWaalsContact O-N 3.07Å | ||
| 1432 | N | 26.3 | Very low | 46.2 | Very low | 165 Ų | 165 | 114 Ų | 114 | 88% | 0.882 | 64% | 0.643 | S | S | * | * | trans | -80.9 | 72.2 | 166.2 | -81.2 | 11.4 | 0 | 0 | 0 | 110.3 | ||||
| 1433 | T | 34.3 | Very low | 47.9 | Very low | 100 Ų | 100 | 111.9 Ų | 111.9 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | trans | -122.8 | 110.7 | 160.6 | 51.3 | 0 | 0 | 0 | 0 | 107.1 | L1431 | L1431-T1433 PolarHBondContact O-N 2.7Å; L1431-T1433 VanDerWaalsContact O-N 3.07Å | ||
| 1434 | T | 32.9 | Very low | 49.9 | Very low | 129 Ų | 129 | 107.4 Ų | 107.4 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -58.4 | 152.2 | 167.6 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1435 | D | 38.8 | Very low | 51.9 | Low | 154 Ų | 154 | 107.4 Ų | 107.4 | 82% | 0.824 | 61% | 0.61 | S | S | * | * | trans | 62.9 | 89.4 | 177 | -48.7 | -38.7 | 0 | 0 | 0 | 116.5 | ||||
| 1436 | S | 45.7 | Very low | 54.3 | Low | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | trans | -162.8 | 139.4 | 138.7 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | R1415 | R1415-S1436 PolarHBondContact NH1-OG 3.11Å; R1415-S1436 VanDerWaalsContact NH1-OG 3.07Å | ||
| 1437 | S | 57.4 | Low | 57.2 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | trans | -90.3 | 158.9 | 178.9 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1438 | P | 67.7 | Low | 59.9 | Low | 64 Ų | 64 | 98 Ų | 98 | 42% | 0.416 | 55% | 0.551 | S | S | . | * | trans | -66.7 | 165.5 | 167.6 | 30.5 | -36.3 | 0 | 0 | 0 | 111.7 | T1416 L1419 K1440 | T1416-P1438 HydrophobicContact CG2-CB 4.46Å; L1419-P1438 HydrophobicContact CD1-CB 4.22Å; P1438-K1440 PolarHBondContact O-N 3.06Å | ||
| 1439 | L | 82.5 | Confident | 62.1 | Low | 11 Ų | 11 | 90.7 Ų | 90.7 | 6% | 0.058 | 54% | 0.535 | C | S | . | . | trans | -65.9 | 99.9 | 173.1 | 179.8 | 61.1 | 0 | 0 | 0 | 109.3 | I1340 W1384 L1401 L1404 I1409 A1412 T1416 | I1340-L1439 HydrophobicContact CD1-CD2 4.34Å; W1384-L1439 HydrophobicContact CZ2-CD2 4.2Å; W1384-L1439 HydrophobicContact CZ2-CG 4.36Å; L1401-L1439 HydrophobicContact CD1-CD1 4.15Å; L1401-L1439 HydrophobicContact CD2-CD1 4.37Å; L1404-L1439 HydrophobicContact CD1-CD1 4.31Å; I1409-L1439 HydrophobicContact CG2-CD2 4.47Å; A1412-L1439 HydrophobicContact CB-CB 3.83Å; A1412-L1439 HydrophobicContact CB-CD1 4.09Å; A1412-L1439 HydrophobicContact CB-CG 4.46Å; T1416-L1439 WeakPolarHBondContact OG1-CB 3.48Å; T1416-L1439 PolarHBondContact OG1-N 2.84Å | ||
| 1440 | K | 79.9 | Confident | 64.5 | Low | 119 Ų | 119 | 92.2 Ų | 92.2 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | trans | -121.4 | 121.9 | 175.7 | -176 | 175.4 | -177.2 | 173.6 | 0 | 109.5 | P1438 N1456 | P1438-K1440 PolarHBondContact O-N 3.06Å; K1440-N1456 WeakPolarHBondContact CE-OD1 3.22Å; K1440-N1456 PolarHBondContact NZ-OD1 2.93Å | ||
| 1441 | P | 85 | Confident | 67.3 | Low | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.058 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 143.1 | 172 | -23.8 | 36.1 | 0 | 0 | 0 | 112.8 | I1388 L1401 W1459 | I1388-P1441 HydrophobicContact CD1-CB 3.87Å; I1388-P1441 HydrophobicContact CD1-CG 3.51Å; L1401-P1441 HydrophobicContact CD2-CB 4.2Å; L1401-P1441 HydrophobicContact CD2-CG 4.4Å; P1441-W1459 HydrophobicContact CB-CD2 4.1Å; P1441-W1459 HydrophobicContact CB-CE3 4.15Å; P1441-W1459 HydrophobicContact CB-CH2 3.82Å; P1441-W1459 HydrophobicContact CB-CZ2 3.76Å; P1441-W1459 HydrophobicContact CB-CZ3 4.01Å; P1441-W1459 HydrophobicContact CG-CD2 3.7Å; P1441-W1459 HydrophobicContact CG-CE3 4.14Å; P1441-W1459 HydrophobicContact CG-CG 3.97Å; P1441-W1459 HydrophobicContact CG-CH2 4.46Å; P1441-W1459 HydrophobicContact CG-CZ2 4.06Å; P1441-W1459 HydrophobicContact CG-CZ3 4.49Å |
| 1442 | D | 78.3 | Confident | 70.1 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.7 | 174.6 | -74.4 | -39.4 | 0 | 0 | 0 | 110.7 | R1403 | R1403-D1442 IonicContact CZ-OD2 3.39Å; R1403-D1442 VanDerWaalsContact NH1-CG 3.25Å; R1403-D1442 IonicContact NH1-OD1 3.78Å; R1403-D1442 IonicContact NH1-OD2 2.91Å; R1403-D1442 PolarHBondContact NH1-OD2 2.8Å |
| 1443 | L | 80.8 | Confident | 73.2 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 131.7 | 167.5 | -73.3 | 172.3 | 0 | 0 | 0 | 110 | I1447 L1455 W1459 | L1443-I1447 HydrophobicContact CD2-CD1 4.22Å; L1443-L1455 HydrophobicContact CD2-CB 4.13Å; L1443-L1455 HydrophobicContact CD2-CD1 3.79Å; L1443-W1459 HydrophobicContact CD2-CH2 3.97Å; L1443-W1459 HydrophobicContact CD2-CZ3 3.79Å; L1443-W1459 HydrophobicContact CG-CZ3 4.28Å |
| 1444 | V | 82 | Confident | 76 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 26% | 0.255 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 136.7 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | C1391 D1446 I1447 | C1391-V1444 HydrophobicContact CB-CG2 4.43Å; V1444-D1446 HydrophobicContact CG1-CB 4.39Å; V1444-D1446 PolarHBondContact O-N 2.9Å; V1444-D1446 VanDerWaalsContact O-N 3.16Å; V1444-I1447 HydrophobicContact CB-CD1 3.83Å; V1444-I1447 HydrophobicContact CB-CG1 4.07Å; V1444-I1447 HydrophobicContact CG2-CD1 4.1Å; V1444-I1447 WeakPolarHBondContact O-CB 3.39Å; V1444-I1447 PolarHBondContact O-N 2.89Å |
| 1445 | A | 75.6 | Confident | 79 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | I1447 | A1445-I1447 PolarHBondContact O-N 2.83Š|
| 1446 | D | 81.4 | Confident | 81.6 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.5 | 177.6 | -65.4 | 20.8 | 0 | 0 | 0 | 114.7 | K1267 F1394 V1444 | K1267-D1446 IonicContact NZ-OD2 3.91Å; F1394-D1446 HydrophobicContact CD1-CB 4.33Å; F1394-D1446 WeakPolarHBondContact CD1-O 3.43Å; F1394-D1446 WeakPolarHBondContact CE1-O 3.26Å; V1444-D1446 HydrophobicContact CG1-CB 4.39Å; V1444-D1446 PolarHBondContact O-N 2.9Å; V1444-D1446 VanDerWaalsContact O-N 3.16Å |
| 1447 | I | 88.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -80.8 | 124.6 | -176.8 | -67.4 | 170.7 | 0 | 0 | 0 | 110 | F1394 L1443 V1444 A1445 G1449 L1451 L1455 | F1394-I1447 HydrophobicContact CB-CD1 4.18Å; F1394-I1447 HydrophobicContact CB-CG1 3.61Å; F1394-I1447 HydrophobicContact CD1-CG1 3.86Å; F1394-I1447 HydrophobicContact CD2-CG1 4.28Å; F1394-I1447 HydrophobicContact CG-CG1 3.63Å; L1443-I1447 HydrophobicContact CD2-CD1 4.22Å; V1444-I1447 HydrophobicContact CB-CD1 3.83Å; V1444-I1447 HydrophobicContact CB-CG1 4.07Å; V1444-I1447 HydrophobicContact CG2-CD1 4.1Å; V1444-I1447 WeakPolarHBondContact O-CB 3.39Å; V1444-I1447 PolarHBondContact O-N 2.89Å; A1445-I1447 PolarHBondContact O-N 2.83Å; I1447-G1449 PolarHBondContact O-N 3.15Å; I1447-L1451 HydrophobicContact CG2-CB 4.13Å; I1447-L1451 HydrophobicContact CG2-CD2 4.21Å; I1447-L1451 HydrophobicContact CG2-CG 4.11Å; I1447-L1455 HydrophobicContact CD1-CD1 3.97Å; I1447-L1455 HydrophobicContact CG2-CD1 4.16Å |
| 1448 | P | 86.2 | Confident | 85.7 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | trans | -54.7 | 135.4 | 173.3 | -26.3 | 34.7 | 0 | 0 | 0 | 111.9 | E1450 L1451 G1452 | P1448-E1450 PolarHBondContact O-N 2.85Å; P1448-E1450 VanDerWaalsContact O-N 3.11Å; P1448-L1451 HydrophobicContact CB-CB 4.43Å; P1448-L1451 WeakPolarHBondContact O-CA 3.43Å; P1448-L1451 WeakPolarHBondContact O-CB 3.04Å; P1448-L1451 PolarHBondContact O-N 3.46Å; P1448-G1452 PolarHBondContact O-N 2.88Å | ||
| 1449 | G | 83.3 | Confident | 87 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -55.6 | -35.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1447 G1452 N1453 | I1447-G1449 PolarHBondContact O-N 3.15Å; G1449-G1452 CarbonylContact O-C 3.52Å; G1449-G1452 WeakPolarHBondContact O-CA 3.17Å; G1449-G1452 PolarHBondContact O-N 2.87Å; G1449-N1453 PolarHBondContact O-N 2.93Å |
| 1450 | E | 84.2 | Confident | 87.4 | Confident | 132 Ų | 132 | 52.2 Ų | 52.2 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.1 | -35.7 | 177.9 | -56.7 | -166.6 | 165.8 | 0 | 0 | 112.8 | P1448 G1452 N1453 L1454 L1479 | P1448-E1450 PolarHBondContact O-N 2.85Å; P1448-E1450 VanDerWaalsContact O-N 3.11Å; E1450-G1452 VanDerWaalsContact C-N 3.32Å; E1450-N1453 WeakPolarHBondContact O-CB 3.03Å; E1450-N1453 PolarHBondContact O-N 2.87Å; E1450-L1454 PolarHBondContact O-N 3.03Å; E1450-L1479 HydrophobicContact CB-CD1 4.41Å; E1450-L1479 HydrophobicContact CB-CD2 3.57Å; E1450-L1479 HydrophobicContact CG-CD2 4.47Å; E1450-L1479 WeakPolarHBondContact OE2-CD2 3.44Å |
| 1451 | L | 91.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 167.9 | -179.3 | 60 | 0 | 0 | 0 | 110.5 | M1268 V1390 F1394 I1447 P1448 N1453 L1454 L1455 I1476 L1479 | M1268-L1451 HydrophobicContact SD-CD2 3.84Å; V1390-L1451 HydrophobicContact CG1-CD2 3.99Å; V1390-L1451 HydrophobicContact CG1-CG 4.44Å; F1394-L1451 HydrophobicContact CD2-CD2 4.36Å; F1394-L1451 HydrophobicContact CE2-CD2 3.6Å; F1394-L1451 HydrophobicContact CZ-CD2 3.9Å; I1447-L1451 HydrophobicContact CG2-CB 4.13Å; I1447-L1451 HydrophobicContact CG2-CD2 4.21Å; I1447-L1451 HydrophobicContact CG2-CG 4.11Å; P1448-L1451 HydrophobicContact CB-CB 4.43Å; P1448-L1451 WeakPolarHBondContact O-CA 3.43Å; P1448-L1451 WeakPolarHBondContact O-CB 3.04Å; P1448-L1451 PolarHBondContact O-N 3.46Å; L1451-N1453 VanDerWaalsContact C-N 3.27Å; L1451-N1453 PolarHBondContact O-N 3.12Å; L1451-L1454 HydrophobicContact CD1-CD2 4.22Å; L1451-L1454 WeakPolarHBondContact O-CB 3.35Å; L1451-L1454 PolarHBondContact O-N 3.13Å; L1451-L1454 VanDerWaalsContact O-N 3.09Å; L1451-L1455 HydrophobicContact CG-CD1 4.49Å; L1451-L1455 WeakPolarHBondContact O-CG 3.39Å; L1451-L1455 PolarHBondContact O-N 3.12Å; L1451-I1476 HydrophobicContact CD1-CD1 4.47Å; L1451-I1476 HydrophobicContact CD1-CG1 4.3Å; L1451-L1479 HydrophobicContact CB-CD1 4.33Å |
| 1452 | G | 90.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55 | -40.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1448 G1449 E1450 L1455 N1456 | P1448-G1452 PolarHBondContact O-N 2.88Å; G1449-G1452 CarbonylContact O-C 3.52Å; G1449-G1452 WeakPolarHBondContact O-CA 3.17Å; G1449-G1452 PolarHBondContact O-N 2.87Å; E1450-G1452 VanDerWaalsContact C-N 3.32Å; G1452-L1455 PolarHBondContact O-N 2.74Å; G1452-N1456 PolarHBondContact O-N 3.33Å; G1452-N1456 PolarHBondContact O-ND2 2.96Å |
| 1453 | N | 90.7 | Very high | 88.3 | Confident | 105 Ų | 105 | 47 Ų | 47 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 174.6 | -68.6 | -31.6 | 0 | 0 | 0 | 112.3 | G1449 E1450 L1451 N1456 R1457 | G1449-N1453 PolarHBondContact O-N 2.93Å; E1450-N1453 WeakPolarHBondContact O-CB 3.03Å; E1450-N1453 PolarHBondContact O-N 2.87Å; L1451-N1453 VanDerWaalsContact C-N 3.27Å; L1451-N1453 PolarHBondContact O-N 3.12Å; N1453-N1456 PolarHBondContact O-N 2.84Å; N1453-R1457 PolarHBondContact O-N 3.08Å |
| 1454 | L | 94.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174 | -179.3 | 62.1 | 0 | 0 | 0 | 112.1 | E1450 L1451 R1457 C1458 P1467 I1472 I1475 I1476 | E1450-L1454 PolarHBondContact O-N 3.03Å; L1451-L1454 HydrophobicContact CD1-CD2 4.22Å; L1451-L1454 WeakPolarHBondContact O-CB 3.35Å; L1451-L1454 PolarHBondContact O-N 3.13Å; L1451-L1454 VanDerWaalsContact O-N 3.09Å; L1454-R1457 WeakPolarHBondContact O-CB 3.38Å; L1454-R1457 PolarHBondContact O-N 2.82Å; L1454-R1457 VanDerWaalsContact O-N 3.08Å; L1454-C1458 PolarHBondContact O-N 3Å; L1454-C1458 PolarHBondContact O-SG 2.86Å; L1454-P1467 HydrophobicContact CD1-CG 4.26Å; L1454-I1472 HydrophobicContact CD1-CG1 4.4Å; L1454-I1472 HydrophobicContact CD2-CG2 4.36Å; L1454-I1475 HydrophobicContact CD1-CD1 3.89Å; L1454-I1475 HydrophobicContact CD1-CG2 4.38Å; L1454-I1475 HydrophobicContact CD2-CB 4.25Å; L1454-I1475 HydrophobicContact CD2-CG2 3.9Å; L1454-I1476 HydrophobicContact CD2-CD1 3.95Å; L1454-I1476 HydrophobicContact CD2-CG1 3.56Å |
| 1455 | L | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.6 | -64.6 | 174.8 | 0 | 0 | 0 | 112.2 | V1390 L1443 I1447 L1451 G1452 R1457 C1458 W1459 | V1390-L1455 HydrophobicContact CB-CD2 3.8Å; V1390-L1455 HydrophobicContact CG1-CD1 4Å; V1390-L1455 HydrophobicContact CG1-CD2 3.96Å; V1390-L1455 HydrophobicContact CG1-CG 4.48Å; V1390-L1455 HydrophobicContact CG2-CD2 4.19Å; L1443-L1455 HydrophobicContact CD2-CB 4.13Å; L1443-L1455 HydrophobicContact CD2-CD1 3.79Å; I1447-L1455 HydrophobicContact CD1-CD1 3.97Å; I1447-L1455 HydrophobicContact CG2-CD1 4.16Å; L1451-L1455 HydrophobicContact CG-CD1 4.49Å; L1451-L1455 WeakPolarHBondContact O-CG 3.39Å; L1451-L1455 PolarHBondContact O-N 3.12Å; G1452-L1455 PolarHBondContact O-N 2.74Å; L1455-R1457 PolarHBondContact O-N 2.85Å; L1455-C1458 PolarHBondContact O-N 2.04Å; L1455-C1458 VanDerWaalsContact O-N 3.1Å; L1455-W1459 HydrophobicContact CB-CE3 4.26Å; L1455-W1459 HydrophobicContact CB-CH2 3.88Å; L1455-W1459 HydrophobicContact CB-CZ2 4.32Å; L1455-W1459 HydrophobicContact CB-CZ3 3.84Å; L1455-W1459 HydrophobicContact CD1-CH2 4.27Å; L1455-W1459 PolarHBondContact O-N 2.83Å |
| 1456 | N | 92.6 | Very high | 90 | Very high | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -30.5 | 171.6 | -78.4 | -80.5 | 0 | 0 | 0 | 112.8 | K1440 G1452 N1453 | K1440-N1456 WeakPolarHBondContact CE-OD1 3.22Å; K1440-N1456 PolarHBondContact NZ-OD1 2.93Å; G1452-N1456 PolarHBondContact O-N 3.33Å; G1452-N1456 PolarHBondContact O-ND2 2.96Å; N1453-N1456 PolarHBondContact O-N 2.84Å |
| 1457 | R | 93.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -75.8 | -38.7 | 173 | -64.1 | 177.1 | 61.5 | -158.9 | -5.3 | 112.5 | N1453 L1454 L1455 W1459 S1460 P1467 E1471 | N1453-R1457 PolarHBondContact O-N 3.08Å; L1454-R1457 WeakPolarHBondContact O-CB 3.38Å; L1454-R1457 PolarHBondContact O-N 2.82Å; L1454-R1457 VanDerWaalsContact O-N 3.08Å; L1455-R1457 PolarHBondContact O-N 2.85Å; R1457-W1459 VanDerWaalsContact C-N 3.27Å; R1457-W1459 PolarHBondContact O-N 2.77Å; R1457-S1460 WeakPolarHBondContact O-CB 3.33Å; R1457-S1460 PolarHBondContact O-N 3.06Å; R1457-S1460 VanDerWaalsContact O-N 3.17Å; R1457-P1467 HydrophobicContact CB-CG 4.32Å; R1457-E1471 IonicContact CZ-OE1 3.63Å; R1457-E1471 IonicContact CZ-OE2 3.29Å; R1457-E1471 IonicContact NH1-OE1 3.42Å; R1457-E1471 PolarHBondContact NH1-OE1 3.46Å; R1457-E1471 IonicContact NH2-OE1 2.74Å; R1457-E1471 PolarHBondContact NH2-OE1 2.69Å; R1457-E1471 IonicContact NH2-OE2 2.74Å; R1457-E1471 PolarHBondContact NH2-OE2 2.93Å |
| 1458 | C | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | V1383 L1454 L1455 S1460 R1466 | V1383-C1458 HydrophobicContact CG1-CB 4.14Å; L1454-C1458 PolarHBondContact O-N 3Å; L1454-C1458 PolarHBondContact O-SG 2.86Å; L1455-C1458 PolarHBondContact O-N 2.04Å; L1455-C1458 VanDerWaalsContact O-N 3.1Å; C1458-S1460 VanDerWaalsContact C-N 3.32Å; C1458-S1460 PolarHBondContact O-N 2.82Å; C1458-R1466 WeakPolarHBondContact O-CD 3.44Å; C1458-R1466 WeakPolarHBondContact O-CG 3.19Å |
| 1459 | W | 94.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 27.1 | 174.2 | -51.2 | -46 | 0 | 0 | 0 | 114.3 | W1384 G1387 I1388 C1391 P1441 L1443 L1455 R1457 | W1384-W1459 AromaticContact CD2-CD1 3.94Å; W1384-W1459 HydrophobicContact CE3-CB 4.12Å; W1384-W1459 HydrophobicContact CH2-CB 4.15Å; W1384-W1459 HydrophobicContact CZ3-CB 3.81Å; W1384-W1459 WeakPolarHBondContact CZ3-O 3.24Å; W1384-W1459 PolarHBondContact O-NE1 2.9Å; G1387-W1459 WeakPolarHBondContact O-CZ2 3.44Å; I1388-W1459 HydrophobicContact CD1-CZ2 4.22Å; C1391-W1459 VanDerWaalsContact SG-CH2 3.58Å; P1441-W1459 HydrophobicContact CB-CD2 4.1Å; P1441-W1459 HydrophobicContact CB-CE3 4.15Å; P1441-W1459 HydrophobicContact CB-CH2 3.82Å; P1441-W1459 HydrophobicContact CB-CZ2 3.76Å; P1441-W1459 HydrophobicContact CB-CZ3 4.01Å; P1441-W1459 HydrophobicContact CG-CD2 3.7Å; P1441-W1459 HydrophobicContact CG-CE3 4.14Å; P1441-W1459 HydrophobicContact CG-CG 3.97Å; P1441-W1459 HydrophobicContact CG-CH2 4.46Å; P1441-W1459 HydrophobicContact CG-CZ2 4.06Å; P1441-W1459 HydrophobicContact CG-CZ3 4.49Å; L1443-W1459 HydrophobicContact CD2-CH2 3.97Å; L1443-W1459 HydrophobicContact CD2-CZ3 3.79Å; L1443-W1459 HydrophobicContact CG-CZ3 4.28Å; L1455-W1459 HydrophobicContact CB-CE3 4.26Å; L1455-W1459 HydrophobicContact CB-CH2 3.88Å; L1455-W1459 HydrophobicContact CB-CZ2 4.32Å; L1455-W1459 HydrophobicContact CB-CZ3 3.84Å; L1455-W1459 HydrophobicContact CD1-CH2 4.27Å; L1455-W1459 PolarHBondContact O-N 2.83Å; R1457-W1459 VanDerWaalsContact C-N 3.27Å; R1457-W1459 PolarHBondContact O-N 2.77Å |
| 1460 | S | 90.8 | Very high | 92 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | trans | -61.7 | 130.4 | 170.2 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | R1457 C1458 T1462 H1465 R1466 | R1457-S1460 WeakPolarHBondContact O-CB 3.33Å; R1457-S1460 PolarHBondContact O-N 3.06Å; R1457-S1460 VanDerWaalsContact O-N 3.17Å; C1458-S1460 VanDerWaalsContact C-N 3.32Å; C1458-S1460 PolarHBondContact O-N 2.82Å; S1460-T1462 VanDerWaalsContact C-N 3.29Å; S1460-T1462 PolarHBondContact O-N 2.83Å; S1460-H1465 WeakPolarHBondContact OG-CB 3.39Å; S1460-R1466 PolarHBondContact O-NE 3.23Å; S1460-R1466 PolarHBondContact O-NH2 3.08Å | ||
| 1461 | P | 85.9 | Confident | 92.6 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -54.6 | -45.4 | 178.5 | -29.2 | 36.5 | 0 | 0 | 0 | 112.3 | T1416 I1420 P1463 R1466 | T1416-P1461 HydrophobicContact CG2-CB 3.78Å; T1416-P1461 HydrophobicContact CG2-CG 4.01Å; I1420-P1461 WeakPolarHBondContact CD1-O 3.23Å; P1461-P1463 WeakPolarHBondContact O-CD 3.38Å; P1461-R1466 PolarHBondContact O-NH2 3.03Å; P1461-R1466 VanDerWaalsContact O-NH2 3.14Å |
| 1462 | T | 85.9 | Confident | 92.9 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.8 | 116.4 | 179 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | S1460 Q1464 H1465 | S1460-T1462 VanDerWaalsContact C-N 3.29Å; S1460-T1462 PolarHBondContact O-N 2.83Å; T1462-Q1464 HydrophobicContact CG2-CB 4.36Å; T1462-Q1464 PolarHBondContact O-N 2.93Å; T1462-Q1464 VanDerWaalsContact O-N 3.14Å; T1462-H1465 WeakPolarHBondContact CB-ND1 3.42Å; T1462-H1465 WeakPolarHBondContact CG2-ND1 3.4Å; T1462-H1465 PolarHBondContact O-N 2.8Å |
| 1463 | P | 90.5 | Very high | 93 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -57.7 | -31.4 | -177.2 | -26.7 | 35.3 | 0 | 0 | 0 | 114.5 | E1338 Q1380 P1461 H1465 R1466 | E1338-P1463 HydrophobicContact CG-CG 4.24Å; Q1380-P1463 HydrophobicContact CB-CB 4.03Å; Q1380-P1463 VanDerWaalsContact CD-O 3.24Å; Q1380-P1463 WeakPolarHBondContact CG-O 3.47Å; Q1380-P1463 PolarHBondContact NE2-O 2.86Å; P1461-P1463 WeakPolarHBondContact O-CD 3.38Å; P1463-H1465 PolarHBondContact O-N 2.85Å; P1463-R1466 PolarHBondContact O-N 2.85Å |
| 1464 | Q | 86.7 | Confident | 93.1 | Very high | 148 Ų | 148 | 41.2 Ų | 41.2 | 69% | 0.692 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -70.2 | -16.5 | 179.2 | -60.3 | 80.7 | -1 | 0 | 0 | 113.7 | T1462 | T1462-Q1464 HydrophobicContact CG2-CB 4.36Å; T1462-Q1464 PolarHBondContact O-N 2.93Å; T1462-Q1464 VanDerWaalsContact O-N 3.14Å |
| 1465 | H | 91.4 | Very high | 93 | Very high | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.597 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -95.9 | -0.5 | 177.4 | -69.6 | 130 | 0 | 0 | 0 | 113.2 | S1460 T1462 P1463 | S1460-H1465 WeakPolarHBondContact OG-CB 3.39Å; T1462-H1465 WeakPolarHBondContact CB-ND1 3.42Å; T1462-H1465 WeakPolarHBondContact CG2-ND1 3.4Å; T1462-H1465 PolarHBondContact O-N 2.8Å; P1463-H1465 PolarHBondContact O-N 2.85Å |
| 1466 | R | 95.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -82.1 | 139 | 175.8 | -61.7 | 178.1 | -163.2 | 150.6 | 10.2 | 109.8 | E1338 Q1380 V1383 C1458 S1460 P1461 P1463 | E1338-R1466 IonicContact OE1-CZ 2.78Å; E1338-R1466 IonicContact OE1-NH1 2.83Å; E1338-R1466 PolarHBondContact OE1-NH1 3.16Å; E1338-R1466 IonicContact OE1-NH2 3.93Å; E1338-R1466 IonicContact OE2-CZ 3.38Å; E1338-R1466 IonicContact OE2-NH1 3.85Å; E1338-R1466 PolarHBondContact OE2-NH1 2.8Å; E1338-R1466 IonicContact OE2-NH2 3.09Å; E1338-R1466 PolarHBondContact OE2-NH2 3.49Å; Q1380-R1466 PolarHBondContact NE2-O 2.85Å; Q1380-R1466 WeakPolarHBondContact O-CD 3.43Å; Q1380-R1466 PolarHBondContact O-NH1 2.79Å; Q1380-R1466 VanDerWaalsContact OE1-CB 3.26Å; V1383-R1466 HydrophobicContact CG1-CB 3.95Å; C1458-R1466 WeakPolarHBondContact O-CD 3.44Å; C1458-R1466 WeakPolarHBondContact O-CG 3.19Å; S1460-R1466 PolarHBondContact O-NE 3.23Å; S1460-R1466 PolarHBondContact O-NH2 3.08Å; P1461-R1466 PolarHBondContact O-NH2 3.03Å; P1461-R1466 VanDerWaalsContact O-NH2 3.14Å; P1463-R1466 PolarHBondContact O-N 2.85Å |
| 1467 | P | 96.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 155.7 | -176.4 | 27.6 | -33.9 | 0 | 0 | 0 | 112.3 | V1383 L1454 R1457 E1471 I1472 | V1383-P1467 HydrophobicContact CG1-CG 4.47Å; V1383-P1467 WeakPolarHBondContact CG2-O 3.42Å; L1454-P1467 HydrophobicContact CD1-CG 4.26Å; R1457-P1467 HydrophobicContact CB-CG 4.32Å; P1467-E1471 HydrophobicContact CB-CB 4.39Å; P1467-E1471 WeakPolarHBondContact CB-OE2 3.08Å; P1467-I1472 HydrophobicContact CB-CG1 4.06Å; P1467-I1472 HydrophobicContact CG-CD1 4.06Å; P1467-I1472 HydrophobicContact CG-CG1 3.81Å |
| 1468 | T | 96.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 157.5 | 173.1 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | S1470 E1471 I1472 | T1468-S1470 PolarHBondContact O-N 2.69Å; T1468-E1471 WeakPolarHBondContact O-CB 3.28Å; T1468-E1471 PolarHBondContact O-N 3.34Å; T1468-E1471 PolarHBondContact OG1-N 2.97Å; T1468-I1472 WeakPolarHBondContact O-CG1 3.13Å; T1468-I1472 PolarHBondContact O-N 3.37Å |
| 1469 | F | 97.6 | Very high | 92 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -33.1 | 175.8 | -77.1 | -64.2 | 0 | 0 | 0 | 113.2 | M1278 D1279 A1282 T1379 D1382 V1383 F1386 E1471 I1472 A1473 | M1278-F1469 HydrophobicContact CB-CB 4.38Å; M1278-F1469 HydrophobicContact CB-CD1 3.44Å; M1278-F1469 VanDerWaalsContact CB-CD1 3.44Å; M1278-F1469 HydrophobicContact CB-CD2 3.91Å; M1278-F1469 HydrophobicContact CB-CE1 3.53Å; M1278-F1469 HydrophobicContact CB-CE2 3.99Å; M1278-F1469 HydrophobicContact CB-CG 3.65Å; M1278-F1469 HydrophobicContact CB-CZ 3.81Å; M1278-F1469 HydrophobicContact CE-CD2 4.43Å; M1278-F1469 HydrophobicContact CE-CE1 4.49Å; M1278-F1469 HydrophobicContact CE-CE2 3.65Å; M1278-F1469 HydrophobicContact CE-CZ 3.69Å; M1278-F1469 HydrophobicContact CG-CD1 4.3Å; M1278-F1469 HydrophobicContact CG-CE1 3.91Å; M1278-F1469 HydrophobicContact CG-CZ 4.05Å; D1279-F1469 HydrophobicContact CB-CB 3.9Å; A1282-F1469 HydrophobicContact CB-CD2 4.27Å; T1379-F1469 HydrophobicContact CG2-CD2 3.74Å; T1379-F1469 HydrophobicContact CG2-CE2 3.77Å; D1382-F1469 HydrophobicContact CB-CE2 4.1Å; D1382-F1469 HydrophobicContact CB-CZ 4.05Å; V1383-F1469 HydrophobicContact CB-CZ 4.38Å; V1383-F1469 HydrophobicContact CG2-CD1 4.43Å; V1383-F1469 HydrophobicContact CG2-CD2 4.07Å; V1383-F1469 HydrophobicContact CG2-CE1 4.04Å; V1383-F1469 HydrophobicContact CG2-CE2 3.64Å; V1383-F1469 HydrophobicContact CG2-CG 4.44Å; V1383-F1469 HydrophobicContact CG2-CZ 3.63Å; F1386-F1469 HydrophobicContact CB-CE1 3.87Å; F1386-F1469 HydrophobicContact CB-CZ 4.29Å; F1386-F1469 AromaticContact CD2-CE1 3.97Å; F1386-F1469 HydrophobicContact CD2-CE1 3.97Å; F1386-F1469 AromaticContact CG-CE1 3.9Å; F1386-F1469 HydrophobicContact CG-CE1 3.9Å; F1469-E1471 PolarHBondContact O-N 3.41Å; F1469-I1472 HydrophobicContact CD1-CD1 3.92Å; F1469-I1472 HydrophobicContact CE1-CD1 4.22Å; F1469-I1472 PolarHBondContact O-N 3.11Å; F1469-A1473 VanDerWaalsContact O-CB 3.28Å; F1469-A1473 WeakPolarHBondContact O-CB 3.39Å; F1469-A1473 PolarHBondContact O-N 3.13Å |
| 1470 | S | 93.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 173.3 | -14.8 | 0 | 0 | 0 | 0 | 111.8 | D1279 T1468 I1474 | D1279-S1470 VanDerWaalsContact OD1-CA 3.3Å; D1279-S1470 WeakPolarHBondContact OD1-CA 3.43Å; D1279-S1470 VanDerWaalsContact OD1-CB 3.24Å; D1279-S1470 WeakPolarHBondContact OD1-CB 3.4Å; D1279-S1470 PolarHBondContact OD1-N 2.8Å; D1279-S1470 PolarHBondContact OD1-OG 2.57Å; T1468-S1470 PolarHBondContact O-N 2.69Å; S1470-I1474 WeakPolarHBondContact O-CD1 3.39Å; S1470-I1474 VanDerWaalsContact O-CG1 3.3Å; S1470-I1474 WeakPolarHBondContact O-CG1 3.04Å; S1470-I1474 PolarHBondContact O-N 2.84Å; S1470-I1474 VanDerWaalsContact O-N 3.12Å |
| 1471 | E | 95.2 | Very high | 90.7 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 174.9 | -162 | -162.3 | 163.8 | 0 | 0 | 111.3 | R1457 P1467 T1468 F1469 A1473 I1474 I1475 | R1457-E1471 IonicContact CZ-OE1 3.63Å; R1457-E1471 IonicContact CZ-OE2 3.29Å; R1457-E1471 IonicContact NH1-OE1 3.42Å; R1457-E1471 PolarHBondContact NH1-OE1 3.46Å; R1457-E1471 IonicContact NH2-OE1 2.74Å; R1457-E1471 PolarHBondContact NH2-OE1 2.69Å; R1457-E1471 IonicContact NH2-OE2 2.74Å; R1457-E1471 PolarHBondContact NH2-OE2 2.93Å; P1467-E1471 HydrophobicContact CB-CB 4.39Å; P1467-E1471 WeakPolarHBondContact CB-OE2 3.08Å; T1468-E1471 WeakPolarHBondContact O-CB 3.28Å; T1468-E1471 PolarHBondContact O-N 3.34Å; T1468-E1471 PolarHBondContact OG1-N 2.97Å; F1469-E1471 PolarHBondContact O-N 3.41Å; E1471-A1473 VanDerWaalsContact C-N 3.32Å; E1471-A1473 PolarHBondContact O-N 3.42Å; E1471-I1474 PolarHBondContact O-N 3.13Å; E1471-I1475 HydrophobicContact CG-CD1 3.95Å; E1471-I1475 WeakPolarHBondContact O-CG1 3.12Å; E1471-I1475 PolarHBondContact O-N 3.37Å |
| 1472 | I | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 174.8 | -67.4 | 167 | 0 | 0 | 0 | 110.4 | A1275 V1383 F1386 L1454 P1467 T1468 F1469 I1475 I1476 | A1275-I1472 HydrophobicContact CB-CG2 3.86Å; V1383-I1472 HydrophobicContact CG1-CD1 3.98Å; V1383-I1472 HydrophobicContact CG2-CD1 4.17Å; F1386-I1472 HydrophobicContact CD1-CD1 4.41Å; F1386-I1472 HydrophobicContact CD1-CG2 4.22Å; F1386-I1472 HydrophobicContact CE1-CG2 3.47Å; F1386-I1472 VanDerWaalsContact CE1-CG2 3.47Å; F1386-I1472 HydrophobicContact CZ-CG2 3.71Å; L1454-I1472 HydrophobicContact CD1-CG1 4.4Å; L1454-I1472 HydrophobicContact CD2-CG2 4.36Å; P1467-I1472 HydrophobicContact CB-CG1 4.06Å; P1467-I1472 HydrophobicContact CG-CD1 4.06Å; P1467-I1472 HydrophobicContact CG-CG1 3.81Å; T1468-I1472 WeakPolarHBondContact O-CG1 3.13Å; T1468-I1472 PolarHBondContact O-N 3.37Å; F1469-I1472 HydrophobicContact CD1-CD1 3.92Å; F1469-I1472 HydrophobicContact CE1-CD1 4.22Å; F1469-I1472 PolarHBondContact O-N 3.11Å; I1472-I1475 PolarHBondContact O-N 2.99Å; I1472-I1476 HydrophobicContact CG2-CD1 3.62Å; I1472-I1476 HydrophobicContact CG2-CG1 4.33Å; I1472-I1476 WeakPolarHBondContact O-CB 3.23Å; I1472-I1476 WeakPolarHBondContact O-CG1 3.45Å; I1472-I1476 PolarHBondContact O-N 2.99Å |
| 1473 | A | 93.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1275 L1276 F1469 E1471 R1477 | A1275-A1473 HydrophobicContact CB-CB 3.9Å; L1276-A1473 HydrophobicContact CD2-CB 4.06Å; F1469-A1473 VanDerWaalsContact O-CB 3.28Å; F1469-A1473 WeakPolarHBondContact O-CB 3.39Å; F1469-A1473 PolarHBondContact O-N 3.13Å; E1471-A1473 VanDerWaalsContact C-N 3.32Å; E1471-A1473 PolarHBondContact O-N 3.42Å; A1473-R1477 WeakPolarHBondContact O-CB 3.45Å; A1473-R1477 PolarHBondContact O-N 3.3Å |
| 1474 | I | 91.8 | Very high | 90.2 | Very high | 82 Ų | 82 | 58 Ų | 58 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -52.3 | 172.6 | -71.6 | 165 | 0 | 0 | 0 | 110.3 | S1470 E1471 I1476 R1477 D1478 | S1470-I1474 WeakPolarHBondContact O-CD1 3.39Å; S1470-I1474 VanDerWaalsContact O-CG1 3.3Å; S1470-I1474 WeakPolarHBondContact O-CG1 3.04Å; S1470-I1474 PolarHBondContact O-N 2.84Å; S1470-I1474 VanDerWaalsContact O-N 3.12Å; E1471-I1474 PolarHBondContact O-N 3.13Å; I1474-I1476 PolarHBondContact O-N 3.16Å; I1474-R1477 WeakPolarHBondContact O-CB 3.42Å; I1474-R1477 PolarHBondContact O-N 2.83Å; I1474-D1478 VanDerWaalsContact O-CG 3.26Å; I1474-D1478 PolarHBondContact O-N 2.79Å |
| 1475 | I | 92.7 | Very high | 90.4 | Very high | 43 Ų | 43 | 53 Ų | 53 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | -177.2 | -64.9 | 167.3 | 0 | 0 | 0 | 110.7 | L1454 E1471 I1472 R1477 D1478 L1479 | L1454-I1475 HydrophobicContact CD1-CD1 3.89Å; L1454-I1475 HydrophobicContact CD1-CG2 4.38Å; L1454-I1475 HydrophobicContact CD2-CB 4.25Å; L1454-I1475 HydrophobicContact CD2-CG2 3.9Å; E1471-I1475 HydrophobicContact CG-CD1 3.95Å; E1471-I1475 WeakPolarHBondContact O-CG1 3.12Å; E1471-I1475 PolarHBondContact O-N 3.37Å; I1472-I1475 PolarHBondContact O-N 2.99Å; I1475-R1477 VanDerWaalsContact C-N 3.35Å; I1475-R1477 PolarHBondContact O-N 2.6Å; I1475-D1478 PolarHBondContact O-N 2.95Å; I1475-L1479 HydrophobicContact CG2-CD1 3.78Å; I1475-L1479 HydrophobicContact CG2-CG 4.17Å; I1475-L1479 WeakPolarHBondContact O-CB 3.25Å; I1475-L1479 VanDerWaalsContact O-CG 3.25Å; I1475-L1479 WeakPolarHBondContact O-CG 3.37Å; I1475-L1479 PolarHBondContact O-N 2.78Å |
| 1476 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 179.5 | -63.3 | 176.1 | 0 | 0 | 0 | 111.7 | M1268 C1271 K1272 A1275 F1386 L1451 L1454 I1472 I1474 D1478 A1480 | M1268-I1476 HydrophobicContact CE-CG2 4.48Å; C1271-I1476 HydrophobicContact CB-CD1 4.47Å; C1271-I1476 HydrophobicContact CB-CG2 4.2Å; K1272-I1476 HydrophobicContact CB-CG2 3.92Å; A1275-I1476 HydrophobicContact CB-CD1 4.46Å; F1386-I1476 HydrophobicContact CE1-CD1 3.93Å; F1386-I1476 HydrophobicContact CZ-CD1 3.73Å; L1451-I1476 HydrophobicContact CD1-CD1 4.47Å; L1451-I1476 HydrophobicContact CD1-CG1 4.3Å; L1454-I1476 HydrophobicContact CD2-CD1 3.95Å; L1454-I1476 HydrophobicContact CD2-CG1 3.56Å; I1472-I1476 HydrophobicContact CG2-CD1 3.62Å; I1472-I1476 HydrophobicContact CG2-CG1 4.33Å; I1472-I1476 WeakPolarHBondContact O-CB 3.23Å; I1472-I1476 WeakPolarHBondContact O-CG1 3.45Å; I1472-I1476 PolarHBondContact O-N 2.99Å; I1474-I1476 PolarHBondContact O-N 3.16Å; I1476-D1478 VanDerWaalsContact C-N 3.33Å; I1476-A1480 WeakPolarHBondContact O-CB 3.4Å; I1476-A1480 PolarHBondContact O-N 2.74Å |
| 1477 | R | 88.3 | Confident | 90 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 44% | 0.438 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.2 | 177.2 | -160.1 | 71.8 | -160.4 | -4.4 | 111 | A1473 I1474 I1475 A1480 A1481 | A1473-R1477 WeakPolarHBondContact O-CB 3.45Å; A1473-R1477 PolarHBondContact O-N 3.3Å; I1474-R1477 WeakPolarHBondContact O-CB 3.42Å; I1474-R1477 PolarHBondContact O-N 2.83Å; I1475-R1477 VanDerWaalsContact C-N 3.35Å; I1475-R1477 PolarHBondContact O-N 2.6Å; R1477-A1480 PolarHBondContact O-N 3.46Å; R1477-A1481 PolarHBondContact O-N 3.24Å |
| 1478 | D | 87.6 | Confident | 89.5 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.3 | -40.3 | -175.1 | -63.5 | -14.1 | 0 | 0 | 0 | 110.8 | I1474 I1475 I1476 A1480 A1481 S1482 | I1474-D1478 VanDerWaalsContact O-CG 3.26Å; I1474-D1478 PolarHBondContact O-N 2.79Å; I1475-D1478 PolarHBondContact O-N 2.95Å; I1476-D1478 VanDerWaalsContact C-N 3.33Å; D1478-A1480 PolarHBondContact O-N 2.85Å; D1478-A1481 PolarHBondContact O-N 3.36Å; D1478-S1482 PolarHBondContact O-N 3Å |
| 1479 | L | 87.2 | Confident | 89 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -15.6 | 169 | -68.5 | 178.9 | 0 | 0 | 0 | 114.6 | M1268 E1450 L1451 I1475 S1482 | M1268-L1479 HydrophobicContact CE-CB 3.78Å; M1268-L1479 WeakPolarHBondContact CE-O 3.17Å; E1450-L1479 HydrophobicContact CB-CD1 4.41Å; E1450-L1479 HydrophobicContact CB-CD2 3.57Å; E1450-L1479 HydrophobicContact CG-CD2 4.47Å; E1450-L1479 WeakPolarHBondContact OE2-CD2 3.44Å; L1451-L1479 HydrophobicContact CB-CD1 4.33Å; I1475-L1479 HydrophobicContact CG2-CD1 3.78Å; I1475-L1479 HydrophobicContact CG2-CG 4.17Å; I1475-L1479 WeakPolarHBondContact O-CB 3.25Å; I1475-L1479 VanDerWaalsContact O-CG 3.25Å; I1475-L1479 WeakPolarHBondContact O-CG 3.37Å; I1475-L1479 PolarHBondContact O-N 2.78Å; L1479-S1482 PolarHBondContact O-OG 3.47Å |
| 1480 | A | 81.2 | Confident | 88.4 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 2.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1268 I1476 R1477 D1478 | M1268-A1480 HydrophobicContact CB-CB 4.26Å; M1268-A1480 HydrophobicContact CE-CB 4.23Å; I1476-A1480 WeakPolarHBondContact O-CB 3.4Å; I1476-A1480 PolarHBondContact O-N 2.74Å; R1477-A1480 PolarHBondContact O-N 3.46Å; D1478-A1480 PolarHBondContact O-N 2.85Å |
| 1481 | A | 76.4 | Confident | 88 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -19.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1477 D1478 | R1477-A1481 PolarHBondContact O-N 3.24Å; D1478-A1481 PolarHBondContact O-N 3.36Å |
| 1482 | S | 71.4 | Confident | 87.3 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 97% | 0.972 | 34% | 0.34 | S | S | * | . | trans | -77.7 | 0 | 164.6 | 59 | 0 | 0 | 0 | 0 | 112.5 | D1478 L1479 | D1478-S1482 PolarHBondContact O-N 3Å; L1479-S1482 PolarHBondContact O-OG 3.47Å |
Retrieved 1,482 of 1,482 residues in 1968.2 ms
(Link to these results)