| 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 | 33.3 | Very low | 32.6 | Very low | 239 Ų | 239 | 135 Ų | 135 | 100% | 1.177 | 73% | 0.731 | S | S | * | * | 0 | 148.4 | 0 | -75.1 | -67.6 | -104.1 | 0 | 0 | 108 | |||||
| 2 | F | 26 | Very low | 34.2 | Very low | 218 Ų | 218 | 130.2 Ų | 130.2 | 96% | 0.956 | 71% | 0.714 | S | S | * | * | trans | -94.8 | 158.2 | -174.3 | -72.7 | -105.1 | 0 | 0 | 0 | 111.8 | ||||
| 3 | G | 27 | Very low | 35.2 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | 97.6 | 105.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 4 | L | 28.3 | Very low | 36.2 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | 24 | 110.3 | 129.8 | -62.9 | 159.7 | 0 | 0 | 0 | 117.6 | |||||
| 5 | Y | 27.9 | Very low | 36.6 | Very low | 218 Ų | 218 | 114.9 Ų | 114.9 | 86% | 0.855 | 63% | 0.625 | S | S | * | * | 178.5 | 141.6 | 98.8 | -99.5 | -72.5 | 0 | 0 | 0 | 112.2 | |||||
| 6 | S | 26 | Very low | 36.8 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | trans | 39 | 90.9 | 157.2 | -165 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 7 | A | 28.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 145.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 8 | T | 35.4 | Very low | 36.8 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.4 | -167.2 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 9 | N | 37.2 | Very low | 36.4 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 61% | 0.61 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 136.2 | 163.8 | -68.8 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 10 | F | 46.6 | Very low | 36.1 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | trans | -115.3 | 152.1 | 172.5 | -78.5 | -91.5 | 0 | 0 | 0 | 110.4 | G41 | F10-G41 CarbonylContact O-C 3.18Å; F10-G41 VanDerWaalsContact O-CA 3.32Å; F10-G41 WeakPolarHBondContact O-CA 3.34Å | ||
| 11 | L | 41.9 | Very low | 35.9 | Very low | 14 Ų | 14 | 118.3 Ų | 118.3 | 7% | 0.073 | 63% | 0.631 | C | S | . | * | trans | -86.7 | 127 | 173.6 | -177.2 | 74.9 | 0 | 0 | 0 | 110.3 | A39 G41 I48 A83 Q85 I92 A94 | L11-A39 HydrophobicContact CD1-CB 4.16Å; L11-G41 WeakPolarHBondContact CA-O 3.32Å; L11-G41 WeakPolarHBondContact CB-O 3.35Å; L11-G41 WeakPolarHBondContact CD1-O 3.44Å; L11-I48 HydrophobicContact CD1-CD1 3.85Å; L11-I48 HydrophobicContact CD1-CG1 4.35Å; L11-I48 HydrophobicContact CD2-CG2 4.46Å; L11-A83 VanDerWaalsContact CD2-O 3.25Å; L11-A83 WeakPolarHBondContact CD2-O 3.34Å; L11-Q85 HydrophobicContact CD1-CB 4.42Å; L11-Q85 HydrophobicContact CD2-CB 3.9Å; L11-I92 HydrophobicContact CB-CB 4.46Å; L11-I92 HydrophobicContact CB-CG2 3.69Å; L11-I92 VanDerWaalsContact CD2-O 3.25Å; L11-I92 WeakPolarHBondContact CD2-O 3.49Å; L11-A94 HydrophobicContact CB-CB 4.41Å; L11-A94 HydrophobicContact CD2-CB 3.72Å; L11-A94 HydrophobicContact CG-CB 3.81Å | ||
| 12 | C | 51.5 | Low | 36 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 52% | 0.52 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 159.6 | 168.5 | -72 | 0 | 0 | 0 | 0 | 109.8 | A39 T40 | C12-A39 CarbonylContact O-C 3.56Å; C12-T40 PolarHBondContact N-O 3.18Å; C12-T40 CarbonylContact O-C 3.57Å; C12-T40 PolarHBondContact O-N 2.91Å |
| 13 | I | 48.1 | Very low | 37.2 | Very low | 20 Ų | 20 | 111.2 Ų | 111.2 | 10% | 0.103 | 59% | 0.591 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 144.4 | 168.6 | -66.5 | 168.4 | 0 | 0 | 0 | 109.3 | F15 A39 A83 A94 E96 | I13-F15 HydrophobicContact CG2-CD2 3.9Å; I13-F15 HydrophobicContact CG2-CE2 4.18Å; I13-A39 HydrophobicContact CG1-CB 3.95Å; I13-A83 HydrophobicContact CD1-CB 3.49Å; I13-A83 VanDerWaalsContact CD1-CB 3.49Å; I13-A83 HydrophobicContact CG1-CB 3.92Å; I13-A94 VanDerWaalsContact CD1-C 3.44Å; I13-A94 HydrophobicContact CD1-CB 3.73Å; I13-A94 WeakPolarHBondContact CD1-O 3Å; I13-A94 HydrophobicContact CG1-CB 3.68Å; I13-E96 HydrophobicContact CB-CB 4.11Å; I13-E96 HydrophobicContact CB-CG 4.15Å; I13-E96 HydrophobicContact CG2-CB 3.76Å; I13-E96 HydrophobicContact CG2-CG 4.17Å |
| 14 | L | 48.4 | Very low | 38.3 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -134.4 | 93.7 | 179.8 | -115.1 | 166.9 | 0 | 0 | 0 | 109.1 | L16 N38 | L14-L16 PolarHBondContact O-N 3.22Å; L14-N38 PolarHBondContact N-O 3.01Å | ||
| 15 | F | 42.4 | Very low | 39.9 | Very low | 47 Ų | 47 | 107.7 Ų | 107.7 | 21% | 0.206 | 55% | 0.554 | C | S | . | * | trans | -64.3 | 126.4 | 172.2 | -99 | -120.4 | 0 | 0 | 0 | 110.5 | I13 L17 Y36 C37 W52 C81 E96 T98 | I13-F15 HydrophobicContact CG2-CD2 3.9Å; I13-F15 HydrophobicContact CG2-CE2 4.18Å; F15-L17 HydrophobicContact CD1-CD1 4.47Å; F15-Y36 WeakPolarHBondContact CD1-O 3.12Å; F15-C37 HydrophobicContact CE2-CB 3.73Å; F15-C37 HydrophobicContact CZ-CB 3.92Å; F15-W52 AromaticContact CE1-CH2 3.56Å; F15-W52 HydrophobicContact CE1-CH2 3.56Å; F15-W52 AromaticContact CE1-CZ3 3.8Å; F15-W52 HydrophobicContact CE1-CZ3 3.8Å; F15-W52 HydrophobicContact CE2-CH2 4.43Å; F15-W52 AromaticContact CZ-CH2 3.32Å; F15-W52 HydrophobicContact CZ-CH2 3.32Å; F15-W52 HydrophobicContact CZ-CZ2 4.32Å; F15-W52 AromaticContact CZ-CZ3 3.5Å; F15-W52 HydrophobicContact CZ-CZ3 3.5Å; F15-C81 HydrophobicContact CE2-CB 3.6Å; F15-C81 HydrophobicContact CZ-CB 3.71Å; F15-E96 HydrophobicContact CD2-CB 4.07Å; F15-E96 HydrophobicContact CE2-CB 4.2Å; F15-T98 HydrophobicContact CE1-CG2 4.13Å | ||
| 16 | L | 39.9 | Very low | 41.8 | Very low | 104 Ų | 104 | 99.1 Ų | 99.1 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | trans | -122.9 | 64.7 | 178.2 | -72.9 | 173.1 | 0 | 0 | 0 | 110.3 | L14 | L14-L16 PolarHBondContact O-N 3.22Š| ||
| 17 | L | 38.4 | Very low | 43.9 | Very low | 45 Ų | 45 | 94.8 Ų | 94.8 | 24% | 0.236 | 49% | 0.492 | C | S | . | . | trans | -88.5 | 136.2 | 160 | -73.1 | 170.8 | 0 | 0 | 0 | 109.2 | F15 T19 A34 | F15-L17 HydrophobicContact CD1-CD1 4.47Å; L17-T19 VanDerWaalsContact C-N 3.32Å; L17-T19 PolarHBondContact O-N 2.58Å; L17-A34 VanDerWaalsContact CD2-O 3.28Å; L17-A34 WeakPolarHBondContact CD2-O 3.44Å | ||
| 18 | Q | 35 | Very low | 46 | Very low | 194 Ų | 194 | 90.4 Ų | 90.4 | 91% | 0.907 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -79.1 | 68.9 | -167.9 | -67.7 | -176 | -11.6 | 0 | 0 | 113.6 | ||
| 19 | T | 29.7 | Very low | 47.5 | Very low | 87 Ų | 87 | 87.3 Ų | 87.3 | 53% | 0.534 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -164.9 | 148.7 | 145.4 | 6.2 | 0 | 0 | 0 | 0 | 111 | L17 S21 | L17-T19 VanDerWaalsContact C-N 3.32Å; L17-T19 PolarHBondContact O-N 2.58Å; T19-S21 PolarHBondContact O-N 3Å |
| 20 | Y | 30.8 | Very low | 48.8 | Very low | 214 Ų | 214 | 83 Ų | 83 | 84% | 0.839 | 42% | 0.415 | S | S | * | . | trans | -48.1 | 105.7 | -166.2 | -97.3 | -100.9 | 0 | 0 | 0 | 116.4 | Q22 | Y20-Q22 PolarHBondContact O-N 3Š| ||
| 21 | S | 31.3 | Very low | 50 | Low | 117 Ų | 117 | 76 Ų | 76 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | trans | 44.6 | 23 | 143.1 | 73.8 | 0 | 0 | 0 | 0 | 120 | T19 | T19-S21 PolarHBondContact O-N 3Š| ||
| 22 | Q | 36.3 | Very low | 51 | Low | 143 Ų | 143 | 78.1 Ų | 78.1 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | trans | -89.2 | 111 | 168.8 | -68.2 | -172.1 | -3.8 | 0 | 0 | 108.6 | Y20 I24 | Y20-Q22 PolarHBondContact O-N 3Å; Q22-I24 PolarHBondContact O-N 2.71Å; Q22-I24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | R | 50.5 | Low | 51.7 | Low | 165 Ų | 165 | 74.9 Ų | 74.9 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -61.9 | -11.7 | 175.9 | -100.8 | -172.6 | 177.7 | 163.6 | 0.5 | 113.8 | E96 F99 | R23-E96 IonicContact CZ-OE1 3.83Å; R23-E96 IonicContact CZ-OE2 2.74Å; R23-E96 IonicContact NE-OE1 2.67Å; R23-E96 IonicContact NE-OE2 3.54Å; R23-E96 PolarHBondContact NE-OE2 2.99Å; R23-E96 VanDerWaalsContact NH2-CD 3.3Å; R23-E96 IonicContact NH2-OE1 3.86Å; R23-E96 PolarHBondContact NH2-OE1 3.03Å; R23-E96 IonicContact NH2-OE2 3.41Å; R23-E96 PolarHBondContact NH2-OE2 2.03Å; R23-F99 PolarHBondContact O-N 3.35Å |
| 24 | I | 49.4 | Very low | 52.5 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.5 | 169.4 | -59 | 168.1 | 0 | 0 | 0 | 106.8 | Q22 F99 | Q22-I24 PolarHBondContact O-N 2.71Å; Q22-I24 VanDerWaalsContact O-N 3.08Å; I24-F99 CarbonylContact C-O 3.53Å; I24-F99 VanDerWaalsContact CA-O 3.27Å; I24-F99 WeakPolarHBondContact CA-O 3.34Å; I24-F99 HydrophobicContact CG1-CB 4.23Å; I24-F99 HydrophobicContact CG2-CD1 4.31Å |
| 25 | Q | 62.5 | Low | 53.7 | Low | 48 Ų | 48 | 71.9 Ų | 71.9 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.9 | 169.7 | -67.5 | -161.3 | 6.5 | 0 | 0 | 109.2 | I27 F99 S101 | Q25-I27 HydrophobicContact CB-CG1 4.44Å; Q25-F99 PolarHBondContact N-O 3.01Å; Q25-S101 PolarHBondContact O-N 2.91Å |
| 26 | V | 67.3 | Low | 55.2 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.3 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | Y28 S101 R103 | V26-Y28 HydrophobicContact CG1-CE2 4.33Å; V26-S101 WeakPolarHBondContact CA-O 3.47Å; V26-R103 HydrophobicContact CG1-CB 4.44Å; V26-R103 HydrophobicContact CG1-CG 3.91Å |
| 27 | I | 71.1 | Confident | 56.7 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153.8 | 176.9 | -56.4 | -171.6 | 0 | 0 | 0 | 107.4 | Q25 Q31 V33 I71 I100 S101 V102 R103 | Q25-I27 HydrophobicContact CB-CG1 4.44Å; I27-Q31 HydrophobicContact CG2-CB 3.99Å; I27-V33 HydrophobicContact CD1-CB 4.36Å; I27-V33 HydrophobicContact CD1-CG1 3.75Å; I27-V33 HydrophobicContact CD1-CG2 3.64Å; I27-V33 HydrophobicContact CG2-CG2 3.85Å; I27-I71 HydrophobicContact CG2-CG2 3.92Å; I27-I100 HydrophobicContact CB-CG2 4.25Å; I27-I100 HydrophobicContact CD1-CD1 3.81Å; I27-I100 HydrophobicContact CD1-CG2 4.09Å; I27-I100 HydrophobicContact CG1-CG2 4.18Å; I27-S101 PolarHBondContact N-O 3.01Å; I27-V102 CarbonylContact O-C 3.42Å; I27-V102 VanDerWaalsContact O-CA 3.28Å; I27-V102 WeakPolarHBondContact O-CA 3.37Å; I27-R103 PolarHBondContact O-N 3.11Å |
| 28 | Y | 71.7 | Confident | 58.1 | Low | 8 Ų | 8 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 147.5 | -178.6 | -64.8 | -90.5 | 0 | 0 | 0 | 113 | V26 G30 Q31 R103 A105 V169 S184 | V26-Y28 HydrophobicContact CG1-CE2 4.33Å; Y28-G30 PolarHBondContact O-N 3.24Å; Y28-Q31 WeakPolarHBondContact O-CB 3.5Å; Y28-Q31 WeakPolarHBondContact O-CG 3.47Å; Y28-Q31 PolarHBondContact O-N 3.47Å; Y28-Q31 VanDerWaalsContact O-N 3.08Å; Y28-R103 CarbonylContact C-O 3.54Å; Y28-R103 WeakPolarHBondContact CA-O 3.25Å; Y28-R103 HydrophobicContact CD1-CB 3.88Å; Y28-R103 WeakPolarHBondContact CD1-O 3.22Å; Y28-R103 HydrophobicContact CE1-CB 3.79Å; Y28-A105 HydrophobicContact CD1-CB 4.03Å; Y28-A105 HydrophobicContact CE1-CB 4.41Å; Y28-V169 HydrophobicContact CD1-CG1 4.12Å; Y28-V169 HydrophobicContact CD2-CB 4.07Å; Y28-V169 HydrophobicContact CD2-CG1 3.62Å; Y28-V169 HydrophobicContact CD2-CG2 4.09Å; Y28-V169 HydrophobicContact CE1-CG1 4.27Å; Y28-V169 HydrophobicContact CE2-CG1 3.77Å; Y28-V169 HydrophobicContact CG-CB 4.4Å; Y28-V169 HydrophobicContact CG-CG1 3.8Å; Y28-V169 HydrophobicContact CG-CG2 4.07Å; Y28-S184 VanDerWaalsContact CE1-OG 3.29Å; Y28-S184 WeakPolarHBondContact CE1-OG 3Å; Y28-S184 WeakPolarHBondContact OH-CB 3.1Å; Y28-S184 PolarHBondContact OH-OG 2.95Å |
| 29 | E | 67.2 | Low | 59.6 | Low | 41 Ų | 41 | 58.6 Ų | 58.6 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 123.6 | -179.1 | -170.9 | 156.9 | -123.2 | 0 | 0 | 111 | I71 K73 V102 R103 | E29-I71 CarbonylContact C-O 3.52Å; E29-I71 WeakPolarHBondContact CA-O 3.38Å; E29-K73 WeakPolarHBondContact OE1-CB 3.07Å; E29-K73 PolarHBondContact OE1-N 3.18Å; E29-V102 HydrophobicContact CB-CG1 4.08Å; E29-R103 PolarHBondContact N-O 2.75Å |
| 30 | G | 64.9 | Low | 61.1 | Low | 22 Ų | 22 | 57.4 Ų | 57.4 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 1.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y28 I71 | Y28-G30 PolarHBondContact O-N 3.24Å; G30-I71 PolarHBondContact N-O 3.26Å |
| 31 | Q | 72.8 | Confident | 62.2 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | trans | -78.7 | 158.1 | 170 | -64.2 | -170.4 | -69.4 | 0 | 0 | 112.5 | I27 Y28 G70 I71 N143 V169 | I27-Q31 HydrophobicContact CG2-CB 3.99Å; Y28-Q31 WeakPolarHBondContact O-CB 3.5Å; Y28-Q31 WeakPolarHBondContact O-CG 3.47Å; Y28-Q31 PolarHBondContact O-N 3.47Å; Y28-Q31 VanDerWaalsContact O-N 3.08Å; Q31-G70 CarbonylContact O-C 3.49Å; Q31-G70 WeakPolarHBondContact O-CA 3.35Å; Q31-G70 PolarHBondContact O-N 2.83Å; Q31-I71 WeakPolarHBondContact O-CG2 3.28Å; Q31-I71 PolarHBondContact O-N 3.2Å; Q31-N143 PolarHBondContact NE2-O 3.11Å; Q31-V169 HydrophobicContact CG-CG2 4.42Å | ||
| 32 | N | 61.1 | Low | 62.9 | Low | 58 Ų | 58 | 44.7 Ų | 44.7 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | trans | -86.7 | 140.4 | 171.9 | -62.2 | -37.3 | 0 | 0 | 0 | 110.7 | R69 G70 P144 N145 | N32-R69 WeakPolarHBondContact OD1-CA 3.3Å; N32-G70 PolarHBondContact OD1-N 3.33Å; N32-G70 VanDerWaalsContact OD1-N 3.1Å; N32-P144 PolarHBondContact N-O 2.75Å; N32-N145 PolarHBondContact ND2-OD1 2.04Å | ||
| 33 | V | 67.8 | Low | 63.5 | Low | 10 Ų | 10 | 41.4 Ų | 41.4 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.6 | -175.6 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | I27 F35 H67 I68 I71 I100 | I27-V33 HydrophobicContact CD1-CB 4.36Å; I27-V33 HydrophobicContact CD1-CG1 3.75Å; I27-V33 HydrophobicContact CD1-CG2 3.64Å; I27-V33 HydrophobicContact CG2-CG2 3.85Å; V33-F35 HydrophobicContact CB-CE2 4.31Å; V33-F35 HydrophobicContact CG1-CD2 4.01Å; V33-F35 HydrophobicContact CG1-CE2 3.62Å; V33-F35 HydrophobicContact CG1-CZ 4.07Å; V33-H67 WeakPolarHBondContact O-CA 3.33Å; V33-I68 HydrophobicContact CB-CB 4.46Å; V33-I68 PolarHBondContact N-O 2.91Å; V33-I68 PolarHBondContact O-N 3.48Å; V33-I71 HydrophobicContact CB-CD1 4.49Å; V33-I71 HydrophobicContact CG2-CB 3.98Å; V33-I71 HydrophobicContact CG2-CD1 3.78Å; V33-I71 HydrophobicContact CG2-CG1 4.46Å; V33-I71 HydrophobicContact CG2-CG2 3.87Å; V33-I100 HydrophobicContact CG1-CD1 3.82Å |
| 34 | A | 64 | Low | 63.5 | Low | 49 Ų | 49 | 43.4 Ų | 43.4 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L17 H67 | L17-A34 VanDerWaalsContact CD2-O 3.28Å; L17-A34 WeakPolarHBondContact CD2-O 3.44Å; A34-H67 WeakPolarHBondContact CB-ND1 3.35Å |
| 35 | F | 74.6 | Confident | 63.5 | Low | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.3 | 178.2 | -68.3 | -97.2 | 0 | 0 | 0 | 109.6 | V33 W52 Y65 F66 I68 Y79 T98 I100 | V33-F35 HydrophobicContact CB-CE2 4.31Å; V33-F35 HydrophobicContact CG1-CD2 4.01Å; V33-F35 HydrophobicContact CG1-CE2 3.62Å; V33-F35 HydrophobicContact CG1-CZ 4.07Å; F35-W52 HydrophobicContact CB-CH2 3.59Å; F35-W52 HydrophobicContact CB-CZ2 4.12Å; F35-W52 HydrophobicContact CB-CZ3 3.86Å; F35-W52 HydrophobicContact CD1-CH2 4.31Å; F35-W52 AromaticContact CD1-CZ3 3.81Å; F35-W52 HydrophobicContact CD1-CZ3 3.81Å; F35-W52 HydrophobicContact CG-CH2 4.41Å; F35-W52 HydrophobicContact CG-CZ3 4.22Å; F35-Y65 WeakPolarHBondContact O-CA 3.04Å; F35-F66 HydrophobicContact CB-CB 4.15Å; F35-F66 HydrophobicContact CB-CD1 4.2Å; F35-F66 WeakPolarHBondContact CB-O 3.42Å; F35-F66 AromaticContact CD2-CD1 3.41Å; F35-F66 HydrophobicContact CD2-CD1 3.41Å; F35-F66 VanDerWaalsContact CD2-CD1 3.41Å; F35-F66 AromaticContact CD2-CE1 3.89Å; F35-F66 HydrophobicContact CD2-CE1 3.89Å; F35-F66 HydrophobicContact CD2-CG 4.43Å; F35-F66 AromaticContact CE2-CD1 3.82Å; F35-F66 HydrophobicContact CE2-CD1 3.82Å; F35-F66 AromaticContact CE2-CE1 3.8Å; F35-F66 HydrophobicContact CE2-CE1 3.8Å; F35-F66 AromaticContact CG-CD1 3.94Å; F35-F66 HydrophobicContact CG-CD1 3.94Å; F35-F66 PolarHBondContact N-O 3.41Å; F35-F66 PolarHBondContact O-N 2.95Å; F35-F66 VanDerWaalsContact O-N 3.1Å; F35-I68 HydrophobicContact CE2-CD1 3.83Å; F35-I68 HydrophobicContact CE2-CG1 4.1Å; F35-I68 HydrophobicContact CZ-CD1 4.37Å; F35-Y79 HydrophobicContact CD1-CD1 4.34Å; F35-Y79 HydrophobicContact CD1-CG 4.33Å; F35-Y79 AromaticContact CE1-CD1 3.53Å; F35-Y79 HydrophobicContact CE1-CD1 3.53Å; F35-Y79 AromaticContact CE1-CD2 3.81Å; F35-Y79 HydrophobicContact CE1-CD2 3.81Å; F35-Y79 HydrophobicContact CE1-CE1 4.16Å; F35-Y79 HydrophobicContact CE1-CE2 4.39Å; F35-Y79 AromaticContact CE1-CG 3.34Å; F35-Y79 HydrophobicContact CE1-CG 3.34Å; F35-Y79 HydrophobicContact CE2-CD1 4.26Å; F35-Y79 HydrophobicContact CE2-CE1 4.17Å; F35-Y79 AromaticContact CZ-CD1 3.45Å; F35-Y79 HydrophobicContact CZ-CD1 3.45Å; F35-Y79 VanDerWaalsContact CZ-CD1 3.45Å; F35-Y79 AromaticContact CZ-CD2 3.81Å; F35-Y79 HydrophobicContact CZ-CD2 3.81Å; F35-Y79 AromaticContact CZ-CE1 3.58Å; F35-Y79 HydrophobicContact CZ-CE1 3.58Å; F35-Y79 AromaticContact CZ-CE2 3.92Å; F35-Y79 HydrophobicContact CZ-CE2 3.92Å; F35-Y79 AromaticContact CZ-CG 3.58Å; F35-Y79 HydrophobicContact CZ-CG 3.58Å; F35-Y79 AromaticContact CZ-CZ 3.82Å; F35-T98 HydrophobicContact CD1-CG2 4.45Å; F35-T98 HydrophobicContact CE1-CG2 4.31Å; F35-I100 HydrophobicContact CD1-CD1 4.42Å; F35-I100 HydrophobicContact CE1-CD1 3.4Å; F35-I100 HydrophobicContact CE1-CG1 3.94Å; F35-I100 HydrophobicContact CE2-CD1 4.23Å; F35-I100 HydrophobicContact CZ-CD1 3.29Å; F35-I100 HydrophobicContact CZ-CG1 4.06Å |
| 36 | Y | 72.5 | Confident | 62.9 | Low | 62 Ų | 62 | 46 Ų | 46 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 125.9 | 177.5 | 175.7 | -127.6 | 0 | 0 | 0 | 111.4 | F15 N38 A64 Y65 | F15-Y36 WeakPolarHBondContact CD1-O 3.12Å; Y36-N38 HydrophobicContact CE1-CB 3.95Å; Y36-A64 WeakPolarHBondContact CA-O 3.31Å; Y36-A64 WeakPolarHBondContact CD2-O 3.45Å; Y36-A64 HydrophobicContact CE2-CB 4.29Å; Y36-Y65 AromaticContact CD2-CD1 3.59Å; Y36-Y65 HydrophobicContact CD2-CD1 3.59Å; Y36-Y65 HydrophobicContact CD2-CD2 4.35Å; Y36-Y65 AromaticContact CD2-CE1 3.25Å; Y36-Y65 HydrophobicContact CD2-CE1 3.25Å; Y36-Y65 HydrophobicContact CD2-CE2 4.07Å; Y36-Y65 HydrophobicContact CD2-CG 4.13Å; Y36-Y65 AromaticContact CD2-CZ 3.52Å; Y36-Y65 HydrophobicContact CE2-CD1 4.31Å; Y36-Y65 AromaticContact CE2-CE1 3.63Å; Y36-Y65 HydrophobicContact CE2-CE1 3.63Å; Y36-Y65 AromaticContact CE2-CE2 3.86Å; Y36-Y65 HydrophobicContact CE2-CE2 3.86Å; Y36-Y65 AromaticContact CE2-CZ 3.36Å; Y36-Y65 WeakPolarHBondContact CE2-OH 3.08Å; Y36-Y65 HydrophobicContact CG-CD1 4.21Å; Y36-Y65 AromaticContact CG-CE1 3.88Å; Y36-Y65 HydrophobicContact CG-CE1 3.88Å |
| 37 | C | 72.2 | Confident | 62.6 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -115.2 | 123.4 | 179 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | F15 Y50 W52 A64 C81 | F15-C37 HydrophobicContact CE2-CB 3.73Å; F15-C37 HydrophobicContact CZ-CB 3.92Å; C37-Y50 HydrophobicContact CB-CD1 4.29Å; C37-Y50 HydrophobicContact CB-CE1 4.43Å; C37-W52 HydrophobicContact CB-CH2 3.84Å; C37-W52 HydrophobicContact CB-CZ2 3.42Å; C37-W52 VanDerWaalsContact CB-CZ2 3.42Å; C37-A64 PolarHBondContact N-O 2.02Å; C37-C81 HydrophobicContact CB-CB 3.64Å; C37-C81 WeakPolarHBondContact CB-SG 3.12Å; C37-C81 WeakPolarHBondContact SG-CB 3.21Å; C37-C81 CovalentContact SG-SG 2.03Å; C37-C81 PolarHBondContact SG-SG 3.41Å | ||
| 38 | N | 66.8 | Low | 62.6 | Low | 40 Ų | 40 | 54.9 Ų | 54.9 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | -123 | 116.7 | -179 | 177.9 | 12.1 | 0 | 0 | 0 | 109.8 | L14 Y36 | L14-N38 PolarHBondContact N-O 3.01Å; Y36-N38 HydrophobicContact CE1-CB 3.95Å | ||
| 39 | A | 67.5 | Low | 62.9 | Low | 10 Ų | 10 | 59 Ų | 59 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L11 C12 I13 I48 Y50 A83 | L11-A39 HydrophobicContact CD1-CB 4.16Å; C12-A39 CarbonylContact O-C 3.56Å; I13-A39 HydrophobicContact CG1-CB 3.95Å; A39-I48 HydrophobicContact CB-CD1 3.86Å; A39-I48 HydrophobicContact CB-CG2 3.9Å; A39-Y50 HydrophobicContact CB-CE1 3.85Å; A39-Y50 WeakPolarHBondContact CB-OH 3.48Å; A39-Y50 PolarHBondContact N-OH 2.87Å; A39-A83 HydrophobicContact CB-CB 3.65Å |
| 40 | T | 61.4 | Low | 63.7 | Low | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 99.6 | -171.8 | 60 | 0 | 0 | 0 | 0 | 111.3 | C12 | C12-T40 PolarHBondContact N-O 3.18Å; C12-T40 CarbonylContact O-C 3.57Å; C12-T40 PolarHBondContact O-N 2.91Å |
| 41 | G | 52.8 | Low | 64.4 | Low | 29 Ų | 29 | 60.9 Ų | 60.9 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | trans | 155.4 | 119.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F10 L11 | F10-G41 CarbonylContact O-C 3.18Å; F10-G41 VanDerWaalsContact O-CA 3.32Å; F10-G41 WeakPolarHBondContact O-CA 3.34Å; L11-G41 WeakPolarHBondContact CA-O 3.32Å; L11-G41 WeakPolarHBondContact CB-O 3.35Å; L11-G41 WeakPolarHBondContact CD1-O 3.44Å | ||
| 42 | G | 45.8 | Very low | 64.8 | Low | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 153.4 | 174.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 43 | S | 50 | Low | 65.8 | Low | 74 Ų | 74 | 60.3 Ų | 60.3 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | trans | -81.4 | 154 | 173.9 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | N45 D46 | S43-N45 PolarHBondContact O-N 2.05Å; S43-D46 PolarHBondContact O-N 3.36Å | ||
| 44 | K | 49.1 | Very low | 66.3 | Low | 208 Ų | 208 | 61 Ų | 61 | 90% | 0.904 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 0.5 | -162.4 | -135.7 | -174.8 | -177.6 | -170.2 | 0 | 116.5 | ||
| 45 | N | 49.7 | Very low | 66.8 | Low | 142 Ų | 142 | 62.1 Ų | 62.1 | 76% | 0.759 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -10.8 | -172.5 | -73.3 | 23.9 | 0 | 0 | 0 | 114.7 | S43 | S43-N45 PolarHBondContact O-N 2.05Š|
| 46 | D | 51.6 | Low | 66.5 | Low | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | trans | -92.3 | 113.7 | -175.6 | -66.2 | -32.2 | 0 | 0 | 0 | 110.4 | S43 Q85 | S43-D46 PolarHBondContact O-N 3.36Å; D46-Q85 HydrophobicContact CB-CG 3.56Å; D46-Q85 PolarHBondContact O-NE2 3.32Å | ||
| 47 | Y | 59.5 | Low | 66.1 | Low | 199 Ų | 199 | 72.5 Ų | 72.5 | 78% | 0.78 | 36% | 0.364 | S | S | * | . | trans | -60 | 145.9 | 178.5 | -77.8 | -95.8 | 0 | 0 | 0 | 112.1 | ||||
| 48 | I | 72.6 | Confident | 65.5 | Low | 42 Ų | 42 | 77.3 Ų | 77.3 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.3 | 177.5 | -47.2 | 170.5 | 0 | 0 | 0 | 107.9 | L11 A39 Y50 A83 T84 Q85 | L11-I48 HydrophobicContact CD1-CD1 3.85Å; L11-I48 HydrophobicContact CD1-CG1 4.35Å; L11-I48 HydrophobicContact CD2-CG2 4.46Å; A39-I48 HydrophobicContact CB-CD1 3.86Å; A39-I48 HydrophobicContact CB-CG2 3.9Å; I48-Y50 HydrophobicContact CB-CE2 4.4Å; I48-Y50 HydrophobicContact CG2-CE2 4.49Å; I48-A83 HydrophobicContact CG2-CB 3.67Å; I48-T84 WeakPolarHBondContact CA-O 2.97Å; I48-Q85 HydrophobicContact CG1-CB 4.28Å; I48-Q85 HydrophobicContact CG1-CG 4.45Å |
| 49 | H | 77.9 | Confident | 65.7 | Low | 93 Ų | 93 | 80.2 Ų | 80.2 | 43% | 0.431 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.8 | 177 | -174 | -41.9 | 0 | 0 | 0 | 109.8 | A83 T84 | H49-A83 CarbonylContact O-C 3.55Å; H49-A83 WeakPolarHBondContact O-CA 3.35Å; H49-T84 PolarHBondContact N-O 2.65Å; H49-T84 PolarHBondContact O-N 2.67Å |
| 50 | Y | 82.2 | Confident | 66.1 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 16% | 0.161 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.7 | 176.4 | -63.9 | -84.1 | 0 | 0 | 0 | 111.5 | C37 A39 I48 T62 A64 I82 A83 | C37-Y50 HydrophobicContact CB-CD1 4.29Å; C37-Y50 HydrophobicContact CB-CE1 4.43Å; A39-Y50 HydrophobicContact CB-CE1 3.85Å; A39-Y50 WeakPolarHBondContact CB-OH 3.48Å; A39-Y50 PolarHBondContact N-OH 2.87Å; I48-Y50 HydrophobicContact CB-CE2 4.4Å; I48-Y50 HydrophobicContact CG2-CE2 4.49Å; Y50-T62 CarbonylContact O-C 3.53Å; Y50-T62 WeakPolarHBondContact O-CA 3.24Å; Y50-T62 VanDerWaalsContact O-O 3.13Å; Y50-A64 HydrophobicContact CD2-CB 4.18Å; Y50-A64 HydrophobicContact CE2-CB 4.21Å; Y50-A64 HydrophobicContact CG-CB 4.38Å; Y50-I82 CarbonylContact C-O 3.47Å; Y50-I82 WeakPolarHBondContact CA-O 3.42Å; Y50-A83 HydrophobicContact CD1-CB 3.76Å; Y50-A83 HydrophobicContact CE1-CB 3.71Å |
| 51 | Q | 81.3 | Confident | 66.7 | Low | 62 Ų | 62 | 80.4 Ų | 80.4 | 29% | 0.29 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.5 | 172.9 | -70.1 | 175.8 | -15.4 | 0 | 0 | 107.8 | L59 C81 I82 | Q51-L59 HydrophobicContact CB-CD1 3.69Å; Q51-L59 HydrophobicContact CG-CD1 3.99Å; Q51-C81 CarbonylContact O-C 3.51Å; Q51-C81 WeakPolarHBondContact O-CA 3.1Å; Q51-I82 HydrophobicContact CB-CB 4.25Å; Q51-I82 PolarHBondContact N-O 3.47Å; Q51-I82 PolarHBondContact O-N 3.18Å |
| 52 | W | 80.3 | Confident | 67.9 | Low | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.2 | 174.3 | -67.7 | 83 | 0 | 0 | 0 | 109.8 | F15 F35 C37 L59 I60 A61 D63 K80 C81 | F15-W52 AromaticContact CE1-CH2 3.56Å; F15-W52 HydrophobicContact CE1-CH2 3.56Å; F15-W52 AromaticContact CE1-CZ3 3.8Å; F15-W52 HydrophobicContact CE1-CZ3 3.8Å; F15-W52 HydrophobicContact CE2-CH2 4.43Å; F15-W52 AromaticContact CZ-CH2 3.32Å; F15-W52 HydrophobicContact CZ-CH2 3.32Å; F15-W52 HydrophobicContact CZ-CZ2 4.32Å; F15-W52 AromaticContact CZ-CZ3 3.5Å; F15-W52 HydrophobicContact CZ-CZ3 3.5Å; F35-W52 HydrophobicContact CB-CH2 3.59Å; F35-W52 HydrophobicContact CB-CZ2 4.12Å; F35-W52 HydrophobicContact CB-CZ3 3.86Å; F35-W52 HydrophobicContact CD1-CH2 4.31Å; F35-W52 AromaticContact CD1-CZ3 3.81Å; F35-W52 HydrophobicContact CD1-CZ3 3.81Å; F35-W52 HydrophobicContact CG-CH2 4.41Å; F35-W52 HydrophobicContact CG-CZ3 4.22Å; C37-W52 HydrophobicContact CB-CH2 3.84Å; C37-W52 HydrophobicContact CB-CZ2 3.42Å; C37-W52 VanDerWaalsContact CB-CZ2 3.42Å; W52-L59 CarbonylContact O-C 3.56Å; W52-L59 WeakPolarHBondContact O-CA 3.4Å; W52-I60 HydrophobicContact CB-CD1 4.17Å; W52-I60 HydrophobicContact CB-CG1 3.67Å; W52-I60 VanDerWaalsContact O-CG1 3.31Å; W52-I60 WeakPolarHBondContact O-CG1 3.26Å; W52-I60 PolarHBondContact O-N 2.89Å; W52-A61 HydrophobicContact CB-CB 4.11Å; W52-A61 HydrophobicContact CG-CB 4.12Å; W52-A61 PolarHBondContact N-O 2.91Å; W52-D63 VanDerWaalsContact CD1-O 3.25Å; W52-D63 PolarHBondContact NE1-O 3.13Å; W52-K80 CarbonylContact C-O 3.58Å; W52-K80 WeakPolarHBondContact CA-O 3.36Å; W52-C81 HydrophobicContact CD2-CB 4.42Å; W52-C81 HydrophobicContact CE3-CB 4.33Å; W52-C81 HydrophobicContact CH2-CB 4.45Å; W52-C81 HydrophobicContact CZ3-CB 4.34Å |
| 53 | E | 81.7 | Confident | 68.9 | Low | 48 Ų | 48 | 86.4 Ų | 86.4 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.2 | 171.4 | -63.6 | -179.3 | 171.5 | 0 | 0 | 109.6 | N56 D58 K80 I82 | E53-N56 WeakPolarHBondContact OE2-CA 3.28Å; E53-D58 WeakPolarHBondContact CA-O 3.15Å; E53-K80 PolarHBondContact N-O 2.98Å; E53-K80 PolarHBondContact O-N 3.38Å; E53-I82 HydrophobicContact CG-CD1 4.16Å; E53-I82 WeakPolarHBondContact OE1-CD1 2.93Å |
| 54 | V | 79.2 | Confident | 70 | Confident | 24 Ų | 24 | 83.4 Ų | 83.4 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.6 | 162.2 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | N56 R57 D58 I60 Y79 | V54-N56 PolarHBondContact O-N 3.41Å; V54-R57 PolarHBondContact O-N 2.96Å; V54-D58 HydrophobicContact CG1-CB 4.21Å; V54-D58 PolarHBondContact N-O 3.38Å; V54-D58 VanDerWaalsContact N-O 3.12Å; V54-I60 HydrophobicContact CB-CD1 4.3Å; V54-I60 HydrophobicContact CB-CG2 4.35Å; V54-I60 HydrophobicContact CG1-CG2 3.85Å; V54-Y79 HydrophobicContact CB-CE1 4.44Å; V54-Y79 HydrophobicContact CG2-CE1 4.22Å; V54-Y79 HydrophobicContact CG2-CE2 4.3Å |
| 55 | N | 73.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 24.6 | 177.8 | -66.8 | -44.3 | 0 | 0 | 0 | 115.1 | G77 E78 | N55-G77 WeakPolarHBondContact OD1-CA 3.4Å; N55-E78 PolarHBondContact N-O 3.5Å; N55-E78 PolarHBondContact OD1-N 2.78Å |
| 56 | N | 69.5 | Low | 71.9 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 42.2 | -177.5 | -43 | -67 | 0 | 0 | 0 | 114.1 | E53 V54 E78 K80 | E53-N56 WeakPolarHBondContact OE2-CA 3.28Å; V54-N56 PolarHBondContact O-N 3.41Å; N56-E78 PolarHBondContact ND2-OE2 2.98Å; N56-K80 WeakPolarHBondContact OD1-CD 3.09Å; N56-K80 WeakPolarHBondContact OD1-CE 3.35Å; N56-K80 PolarHBondContact OD1-NZ 3.45Å |
| 57 | R | 64.5 | Low | 72.6 | Confident | 209 Ų | 209 | 78 Ų | 78 | 79% | 0.789 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.1 | -56.3 | 179.1 | -67.2 | -177.2 | -179.5 | -168.9 | -0.8 | 113 | V54 | V54-R57 PolarHBondContact O-N 2.96Š|
| 58 | D | 60 | Low | 73.2 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.7 | -164.8 | -55.6 | -66.2 | 0 | 0 | 0 | 110.4 | E53 V54 I60 | E53-D58 WeakPolarHBondContact CA-O 3.15Å; V54-D58 HydrophobicContact CG1-CB 4.21Å; V54-D58 PolarHBondContact N-O 3.38Å; V54-D58 VanDerWaalsContact N-O 3.12Å; D58-I60 PolarHBondContact O-N 2.83Å |
| 59 | L | 69.6 | Low | 72.6 | Confident | 100 Ų | 100 | 78.6 Ų | 78.6 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 105.3 | 177.8 | 179.9 | 72.8 | 0 | 0 | 0 | 109.4 | Q51 W52 T62 | Q51-L59 HydrophobicContact CB-CD1 3.69Å; Q51-L59 HydrophobicContact CG-CD1 3.99Å; W52-L59 CarbonylContact O-C 3.56Å; W52-L59 WeakPolarHBondContact O-CA 3.4Å; L59-T62 HydrophobicContact CD1-CG2 4.28Å; L59-T62 HydrophobicContact CD2-CG2 3.95Å; L59-T62 HydrophobicContact CG-CG2 4.33Å |
| 60 | I | 75.4 | Confident | 72.2 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -22.6 | -174 | 54.8 | 167.8 | 0 | 0 | 0 | 113.9 | W52 V54 D58 F66 Y79 | W52-I60 HydrophobicContact CB-CD1 4.17Å; W52-I60 HydrophobicContact CB-CG1 3.67Å; W52-I60 VanDerWaalsContact O-CG1 3.31Å; W52-I60 WeakPolarHBondContact O-CG1 3.26Å; W52-I60 PolarHBondContact O-N 2.89Å; V54-I60 HydrophobicContact CB-CD1 4.3Å; V54-I60 HydrophobicContact CB-CG2 4.35Å; V54-I60 HydrophobicContact CG1-CG2 3.85Å; D58-I60 PolarHBondContact O-N 2.83Å; I60-F66 HydrophobicContact CD1-CD1 4.11Å; I60-F66 HydrophobicContact CD1-CE1 3.68Å; I60-F66 HydrophobicContact CD1-CZ 3.94Å; I60-Y79 HydrophobicContact CD1-CD1 3.61Å; I60-Y79 HydrophobicContact CD1-CE1 3.56Å |
| 61 | A | 74.5 | Confident | 71.9 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 159.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W52 F66 | W52-A61 HydrophobicContact CB-CB 4.11Å; W52-A61 HydrophobicContact CG-CB 4.12Å; W52-A61 PolarHBondContact N-O 2.91Å; A61-F66 HydrophobicContact CB-CB 4.09Å; A61-F66 HydrophobicContact CB-CD2 3.89Å; A61-F66 HydrophobicContact CB-CG 4.19Å |
| 62 | T | 78.4 | Confident | 71.6 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.534 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -127.5 | 8.9 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | Y50 L59 | Y50-T62 CarbonylContact O-C 3.53Å; Y50-T62 WeakPolarHBondContact O-CA 3.24Å; Y50-T62 VanDerWaalsContact O-O 3.13Å; L59-T62 HydrophobicContact CD1-CG2 4.28Å; L59-T62 HydrophobicContact CD2-CG2 3.95Å; L59-T62 HydrophobicContact CG-CG2 4.33Å |
| 63 | D | 66.1 | Low | 71.2 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -102.3 | 169.2 | 175 | -160.7 | -12.8 | 0 | 0 | 0 | 110 | W52 Y65 | W52-D63 VanDerWaalsContact CD1-O 3.25Å; W52-D63 PolarHBondContact NE1-O 3.13Å; D63-Y65 PolarHBondContact O-N 3Å |
| 64 | A | 72.9 | Confident | 70.8 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -68.4 | -15.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y36 C37 Y50 | Y36-A64 WeakPolarHBondContact CA-O 3.31Å; Y36-A64 WeakPolarHBondContact CD2-O 3.45Å; Y36-A64 HydrophobicContact CE2-CB 4.29Å; C37-A64 PolarHBondContact N-O 2.02Å; Y50-A64 HydrophobicContact CD2-CB 4.18Å; Y50-A64 HydrophobicContact CE2-CB 4.21Å; Y50-A64 HydrophobicContact CG-CB 4.38Å |
| 65 | Y | 65.5 | Low | 70.7 | Confident | 128 Ų | 128 | 79 Ų | 79 | 50% | 0.502 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.1 | -178 | -61.1 | -91.4 | 0 | 0 | 0 | 111.9 | F35 Y36 D63 | F35-Y65 WeakPolarHBondContact O-CA 3.04Å; Y36-Y65 AromaticContact CD2-CD1 3.59Å; Y36-Y65 HydrophobicContact CD2-CD1 3.59Å; Y36-Y65 HydrophobicContact CD2-CD2 4.35Å; Y36-Y65 AromaticContact CD2-CE1 3.25Å; Y36-Y65 HydrophobicContact CD2-CE1 3.25Å; Y36-Y65 HydrophobicContact CD2-CE2 4.07Å; Y36-Y65 HydrophobicContact CD2-CG 4.13Å; Y36-Y65 AromaticContact CD2-CZ 3.52Å; Y36-Y65 HydrophobicContact CE2-CD1 4.31Å; Y36-Y65 AromaticContact CE2-CE1 3.63Å; Y36-Y65 HydrophobicContact CE2-CE1 3.63Å; Y36-Y65 AromaticContact CE2-CE2 3.86Å; Y36-Y65 HydrophobicContact CE2-CE2 3.86Å; Y36-Y65 AromaticContact CE2-CZ 3.36Å; Y36-Y65 WeakPolarHBondContact CE2-OH 3.08Å; Y36-Y65 HydrophobicContact CG-CD1 4.21Å; Y36-Y65 AromaticContact CG-CE1 3.88Å; Y36-Y65 HydrophobicContact CG-CE1 3.88Å; D63-Y65 PolarHBondContact O-N 3Å |
| 66 | F | 73.5 | Confident | 70.8 | Confident | 42 Ų | 42 | 78 Ų | 78 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.6 | 174.8 | 169.4 | -110.3 | 0 | 0 | 0 | 110.3 | F35 I60 A61 I68 Y79 | F35-F66 HydrophobicContact CB-CB 4.15Å; F35-F66 HydrophobicContact CB-CD1 4.2Å; F35-F66 WeakPolarHBondContact CB-O 3.42Å; F35-F66 AromaticContact CD2-CD1 3.41Å; F35-F66 HydrophobicContact CD2-CD1 3.41Å; F35-F66 VanDerWaalsContact CD2-CD1 3.41Å; F35-F66 AromaticContact CD2-CE1 3.89Å; F35-F66 HydrophobicContact CD2-CE1 3.89Å; F35-F66 HydrophobicContact CD2-CG 4.43Å; F35-F66 AromaticContact CE2-CD1 3.82Å; F35-F66 HydrophobicContact CE2-CD1 3.82Å; F35-F66 AromaticContact CE2-CE1 3.8Å; F35-F66 HydrophobicContact CE2-CE1 3.8Å; F35-F66 AromaticContact CG-CD1 3.94Å; F35-F66 HydrophobicContact CG-CD1 3.94Å; F35-F66 PolarHBondContact N-O 3.41Å; F35-F66 PolarHBondContact O-N 2.95Å; F35-F66 VanDerWaalsContact O-N 3.1Å; I60-F66 HydrophobicContact CD1-CD1 4.11Å; I60-F66 HydrophobicContact CD1-CE1 3.68Å; I60-F66 HydrophobicContact CD1-CZ 3.94Å; A61-F66 HydrophobicContact CB-CB 4.09Å; A61-F66 HydrophobicContact CB-CD2 3.89Å; A61-F66 HydrophobicContact CB-CG 4.19Å; F66-I68 HydrophobicContact CE1-CD1 3.9Å; F66-I68 HydrophobicContact CE1-CG1 3.64Å; F66-I68 HydrophobicContact CZ-CD1 4.2Å; F66-I68 HydrophobicContact CZ-CG1 3.71Å; F66-Y79 HydrophobicContact CE1-CD1 4.47Å; F66-Y79 HydrophobicContact CE1-CE1 4.01Å |
| 67 | H | 66.8 | Low | 71.3 | Confident | 126 Ų | 126 | 74.6 Ų | 74.6 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.1 | -174.4 | -66.9 | -76.9 | 0 | 0 | 0 | 112.3 | V33 A34 | V33-H67 WeakPolarHBondContact O-CA 3.33Å; A34-H67 WeakPolarHBondContact CB-ND1 3.35Å |
| 68 | I | 71.5 | Confident | 72.1 | Confident | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.8 | 169.8 | -55.9 | 177.7 | 0 | 0 | 0 | 108.2 | V33 F35 F66 I71 D75 Y79 | V33-I68 HydrophobicContact CB-CB 4.46Å; V33-I68 PolarHBondContact N-O 2.91Å; V33-I68 PolarHBondContact O-N 3.48Å; F35-I68 HydrophobicContact CE2-CD1 3.83Å; F35-I68 HydrophobicContact CE2-CG1 4.1Å; F35-I68 HydrophobicContact CZ-CD1 4.37Å; F66-I68 HydrophobicContact CE1-CD1 3.9Å; F66-I68 HydrophobicContact CE1-CG1 3.64Å; F66-I68 HydrophobicContact CZ-CD1 4.2Å; F66-I68 HydrophobicContact CZ-CG1 3.71Å; I68-I71 HydrophobicContact CD1-CD1 4.13Å; I68-I71 HydrophobicContact CD1-CG1 4.32Å; I68-I71 HydrophobicContact CG2-CB 3.98Å; I68-I71 HydrophobicContact CG2-CG1 4.15Å; I68-D75 HydrophobicContact CD1-CB 4.49Å; I68-Y79 HydrophobicContact CD1-CE1 4.24Å; I68-Y79 WeakPolarHBondContact CD1-OH 3.12Å |
| 69 | R | 61.3 | Low | 73.1 | Confident | 228 Ų | 228 | 62.6 Ų | 62.6 | 86% | 0.86 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -99.1 | 129.4 | 169.4 | -68.3 | -175.2 | 178.4 | -166.9 | -0.8 | 108.9 | N32 | N32-R69 WeakPolarHBondContact OD1-CA 3.3Š|
| 70 | G | 68 | Low | 73.7 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 60.2 | 55.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q31 N32 Q72 | Q31-G70 CarbonylContact O-C 3.49Å; Q31-G70 WeakPolarHBondContact O-CA 3.35Å; Q31-G70 PolarHBondContact O-N 2.83Å; N32-G70 PolarHBondContact OD1-N 3.33Å; N32-G70 VanDerWaalsContact OD1-N 3.1Å; G70-Q72 PolarHBondContact O-N 2.96Å; G70-Q72 PolarHBondContact O-NE2 3.4Å |
| 71 | I | 75.6 | Confident | 74 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -53.3 | 129.6 | -173.5 | -165.1 | 170.3 | 0 | 0 | 0 | 113.1 | I27 E29 G30 Q31 V33 I68 D75 I100 V102 | I27-I71 HydrophobicContact CG2-CG2 3.92Å; E29-I71 CarbonylContact C-O 3.52Å; E29-I71 WeakPolarHBondContact CA-O 3.38Å; G30-I71 PolarHBondContact N-O 3.26Å; Q31-I71 WeakPolarHBondContact O-CG2 3.28Å; Q31-I71 PolarHBondContact O-N 3.2Å; V33-I71 HydrophobicContact CB-CD1 4.49Å; V33-I71 HydrophobicContact CG2-CB 3.98Å; V33-I71 HydrophobicContact CG2-CD1 3.78Å; V33-I71 HydrophobicContact CG2-CG1 4.46Å; V33-I71 HydrophobicContact CG2-CG2 3.87Å; I68-I71 HydrophobicContact CD1-CD1 4.13Å; I68-I71 HydrophobicContact CD1-CG1 4.32Å; I68-I71 HydrophobicContact CG2-CB 3.98Å; I68-I71 HydrophobicContact CG2-CG1 4.15Å; I71-D75 HydrophobicContact CD1-CB 4.19Å; I71-D75 HydrophobicContact CG1-CB 3.64Å; I71-I100 HydrophobicContact CD1-CG2 3.96Å; I71-V102 HydrophobicContact CD1-CG2 3.77Å; I71-V102 HydrophobicContact CG1-CG2 3.93Å | ||
| 72 | Q | 75.8 | Confident | 74.4 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | trans | -100 | 162 | -177.6 | -63.1 | -56.7 | -61.4 | 0 | 0 | 111.6 | G70 S74 D75 | G70-Q72 PolarHBondContact O-N 2.96Å; G70-Q72 PolarHBondContact O-NE2 3.4Å; Q72-S74 VanDerWaalsContact CB-OG 3.29Å; Q72-S74 WeakPolarHBondContact CB-OG 3.14Å; Q72-S74 PolarHBondContact O-N 2.88Å; Q72-D75 PolarHBondContact N-OD2 3.2Å; Q72-D75 WeakPolarHBondContact O-CA 3.03Å; Q72-D75 VanDerWaalsContact O-CB 3.27Å; Q72-D75 WeakPolarHBondContact O-CB 3.05Å; Q72-D75 PolarHBondContact O-N 2.78Å | ||
| 73 | K | 72.7 | Confident | 74.4 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63.7 | -17.3 | 174.2 | -175 | 57.2 | 165.6 | 179.1 | 0 | 114 | E29 D75 E76 V102 | E29-K73 WeakPolarHBondContact OE1-CB 3.07Å; E29-K73 PolarHBondContact OE1-N 3.18Å; K73-D75 PolarHBondContact O-N 2.93Å; K73-E76 HydrophobicContact CD-CB 4.36Å; K73-E76 VanDerWaalsContact CE-OE2 3.28Å; K73-E76 WeakPolarHBondContact CE-OE2 3.47Å; K73-E76 IonicContact NZ-OE1 2.7Å; K73-E76 PolarHBondContact NZ-OE1 2.04Å; K73-E76 IonicContact NZ-OE2 3.14Å; K73-E76 PolarHBondContact NZ-OE2 3.39Å; K73-E76 PolarHBondContact O-N 3.44Å; K73-V102 HydrophobicContact CD-CB 4.18Å; K73-V102 WeakPolarHBondContact CD-O 3.42Å; K73-V102 WeakPolarHBondContact CE-O 3.07Å; K73-V102 PolarHBondContact NZ-O 2.87Å |
| 74 | S | 72.5 | Confident | 75.1 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -61.9 | -26.1 | 166.8 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | Q72 E76 | Q72-S74 VanDerWaalsContact CB-OG 3.29Å; Q72-S74 WeakPolarHBondContact CB-OG 3.14Å; Q72-S74 PolarHBondContact O-N 2.88Å; S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 3.44Å |
| 75 | D | 76.9 | Confident | 74.9 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -93.8 | 10.2 | -172 | -41.1 | -16.5 | 0 | 0 | 0 | 110.5 | I68 I71 Q72 K73 Y79 | I68-D75 HydrophobicContact CD1-CB 4.49Å; I71-D75 HydrophobicContact CD1-CB 4.19Å; I71-D75 HydrophobicContact CG1-CB 3.64Å; Q72-D75 PolarHBondContact N-OD2 3.2Å; Q72-D75 WeakPolarHBondContact O-CA 3.03Å; Q72-D75 VanDerWaalsContact O-CB 3.27Å; Q72-D75 WeakPolarHBondContact O-CB 3.05Å; Q72-D75 PolarHBondContact O-N 2.78Å; K73-D75 PolarHBondContact O-N 2.93Å; D75-Y79 VanDerWaalsContact O-CE2 3.28Å; D75-Y79 WeakPolarHBondContact O-CE2 3.43Å; D75-Y79 PolarHBondContact O-OH 2.72Å |
| 76 | E | 75.9 | Confident | 75 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | trans | -71.1 | 127.5 | 169.9 | 172.5 | 166.2 | -104.5 | 0 | 0 | 110.6 | K73 S74 F99 I100 S101 V102 | K73-E76 HydrophobicContact CD-CB 4.36Å; K73-E76 VanDerWaalsContact CE-OE2 3.28Å; K73-E76 WeakPolarHBondContact CE-OE2 3.47Å; K73-E76 IonicContact NZ-OE1 2.7Å; K73-E76 PolarHBondContact NZ-OE1 2.04Å; K73-E76 IonicContact NZ-OE2 3.14Å; K73-E76 PolarHBondContact NZ-OE2 3.39Å; K73-E76 PolarHBondContact O-N 3.44Å; S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 3.44Å; E76-F99 HydrophobicContact CG-CE1 3.88Å; E76-F99 HydrophobicContact CG-CZ 3.88Å; E76-I100 WeakPolarHBondContact CA-O 3.36Å; E76-I100 WeakPolarHBondContact CG-O 3.46Å; E76-S101 WeakPolarHBondContact OE1-CA 3.28Å; E76-S101 WeakPolarHBondContact OE1-CB 3.48Å; E76-S101 PolarHBondContact OE1-OG 3.38Å; E76-V102 HydrophobicContact CB-CB 4.33Å; E76-V102 HydrophobicContact CB-CG2 4.25Å; E76-V102 PolarHBondContact OE1-N 2.98Å | ||
| 77 | G | 80 | Confident | 74.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | 174.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | N55 Y79 F99 I100 | N55-G77 WeakPolarHBondContact OD1-CA 3.4Å; G77-Y79 WeakPolarHBondContact O-CD2 3.33Å; G77-Y79 PolarHBondContact O-N 3.23Å; G77-F99 CarbonylContact O-C 3.58Å; G77-F99 WeakPolarHBondContact O-CA 3.35Å; G77-I100 PolarHBondContact N-O 3.22Å; G77-I100 VanDerWaalsContact N-O 3.16Å; G77-I100 PolarHBondContact O-N 3.19Å |
| 78 | E | 82.3 | Confident | 74.4 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 105.8 | 166.3 | -172.3 | -172.9 | -166.8 | 0 | 0 | 108.7 | N55 N56 K80 S97 F99 | N55-E78 PolarHBondContact N-O 3.5Å; N55-E78 PolarHBondContact OD1-N 2.78Å; N56-E78 PolarHBondContact ND2-OE2 2.98Å; E78-K80 VanDerWaalsContact CD-NZ 3.3Å; E78-K80 PolarHBondContact O-N 2.85Å; E78-K80 VanDerWaalsContact OE1-CE 3.28Å; E78-K80 WeakPolarHBondContact OE1-CE 3.49Å; E78-K80 IonicContact OE1-NZ 2.71Å; E78-K80 PolarHBondContact OE1-NZ 2.03Å; E78-K80 IonicContact OE2-NZ 3.48Å; E78-K80 PolarHBondContact OE2-NZ 3.32Å; E78-S97 WeakPolarHBondContact OE1-CB 3.1Å; E78-S97 PolarHBondContact OE1-OG 3.28Å; E78-S97 VanDerWaalsContact OE1-OG 3.11Å; E78-F99 HydrophobicContact CB-CD2 4.17Å |
| 79 | Y | 80.9 | Confident | 74 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 103.7 | 169.2 | -73.7 | -97 | 0 | 0 | 0 | 108.2 | F35 V54 I60 F66 I68 D75 G77 S97 T98 I100 | F35-Y79 HydrophobicContact CD1-CD1 4.34Å; F35-Y79 HydrophobicContact CD1-CG 4.33Å; F35-Y79 AromaticContact CE1-CD1 3.53Å; F35-Y79 HydrophobicContact CE1-CD1 3.53Å; F35-Y79 AromaticContact CE1-CD2 3.81Å; F35-Y79 HydrophobicContact CE1-CD2 3.81Å; F35-Y79 HydrophobicContact CE1-CE1 4.16Å; F35-Y79 HydrophobicContact CE1-CE2 4.39Å; F35-Y79 AromaticContact CE1-CG 3.34Å; F35-Y79 HydrophobicContact CE1-CG 3.34Å; F35-Y79 HydrophobicContact CE2-CD1 4.26Å; F35-Y79 HydrophobicContact CE2-CE1 4.17Å; F35-Y79 AromaticContact CZ-CD1 3.45Å; F35-Y79 HydrophobicContact CZ-CD1 3.45Å; F35-Y79 VanDerWaalsContact CZ-CD1 3.45Å; F35-Y79 AromaticContact CZ-CD2 3.81Å; F35-Y79 HydrophobicContact CZ-CD2 3.81Å; F35-Y79 AromaticContact CZ-CE1 3.58Å; F35-Y79 HydrophobicContact CZ-CE1 3.58Å; F35-Y79 AromaticContact CZ-CE2 3.92Å; F35-Y79 HydrophobicContact CZ-CE2 3.92Å; F35-Y79 AromaticContact CZ-CG 3.58Å; F35-Y79 HydrophobicContact CZ-CG 3.58Å; F35-Y79 AromaticContact CZ-CZ 3.82Å; V54-Y79 HydrophobicContact CB-CE1 4.44Å; V54-Y79 HydrophobicContact CG2-CE1 4.22Å; V54-Y79 HydrophobicContact CG2-CE2 4.3Å; I60-Y79 HydrophobicContact CD1-CD1 3.61Å; I60-Y79 HydrophobicContact CD1-CE1 3.56Å; F66-Y79 HydrophobicContact CE1-CD1 4.47Å; F66-Y79 HydrophobicContact CE1-CE1 4.01Å; I68-Y79 HydrophobicContact CD1-CE1 4.24Å; I68-Y79 WeakPolarHBondContact CD1-OH 3.12Å; D75-Y79 VanDerWaalsContact O-CE2 3.28Å; D75-Y79 WeakPolarHBondContact O-CE2 3.43Å; D75-Y79 PolarHBondContact O-OH 2.72Å; G77-Y79 WeakPolarHBondContact O-CD2 3.33Å; G77-Y79 PolarHBondContact O-N 3.23Å; Y79-S97 WeakPolarHBondContact O-CA 3.39Å; Y79-T98 PolarHBondContact N-O 2.88Å; Y79-T98 PolarHBondContact O-N 2.72Å; Y79-I100 HydrophobicContact CD2-CB 4.11Å; Y79-I100 HydrophobicContact CD2-CG1 3.93Å; Y79-I100 HydrophobicContact CE2-CB 4.1Å; Y79-I100 HydrophobicContact CE2-CG1 4.29Å |
| 80 | K | 80.5 | Confident | 73.9 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.6 | -178.9 | -179.3 | 163 | -73.6 | 140.2 | 0 | 110.1 | W52 E53 N56 E78 I82 E96 | W52-K80 CarbonylContact C-O 3.58Å; W52-K80 WeakPolarHBondContact CA-O 3.36Å; E53-K80 PolarHBondContact N-O 2.98Å; E53-K80 PolarHBondContact O-N 3.38Å; N56-K80 WeakPolarHBondContact OD1-CD 3.09Å; N56-K80 WeakPolarHBondContact OD1-CE 3.35Å; N56-K80 PolarHBondContact OD1-NZ 3.45Å; E78-K80 VanDerWaalsContact CD-NZ 3.3Å; E78-K80 PolarHBondContact O-N 2.85Å; E78-K80 VanDerWaalsContact OE1-CE 3.28Å; E78-K80 WeakPolarHBondContact OE1-CE 3.49Å; E78-K80 IonicContact OE1-NZ 2.71Å; E78-K80 PolarHBondContact OE1-NZ 2.03Å; E78-K80 IonicContact OE2-NZ 3.48Å; E78-K80 PolarHBondContact OE2-NZ 3.32Å; K80-I82 HydrophobicContact CD-CG1 4.33Å; K80-I82 HydrophobicContact CG-CG1 4Å; K80-E96 WeakPolarHBondContact CA-O 3.2Å |
| 81 | C | 81.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.1 | 162.5 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | F15 C37 Q51 W52 T95 E96 | F15-C81 HydrophobicContact CE2-CB 3.6Å; F15-C81 HydrophobicContact CZ-CB 3.71Å; C37-C81 HydrophobicContact CB-CB 3.64Å; C37-C81 WeakPolarHBondContact CB-SG 3.12Å; C37-C81 WeakPolarHBondContact SG-CB 3.21Å; C37-C81 CovalentContact SG-SG 2.03Å; C37-C81 PolarHBondContact SG-SG 3.41Å; Q51-C81 CarbonylContact O-C 3.51Å; Q51-C81 WeakPolarHBondContact O-CA 3.1Å; W52-C81 HydrophobicContact CD2-CB 4.42Å; W52-C81 HydrophobicContact CE3-CB 4.33Å; W52-C81 HydrophobicContact CH2-CB 4.45Å; W52-C81 HydrophobicContact CZ3-CB 4.34Å; C81-T95 WeakPolarHBondContact O-CA 3.41Å; C81-E96 PolarHBondContact N-O 2.79Å; C81-E96 PolarHBondContact O-N 2.77Å; C81-E96 VanDerWaalsContact O-O 3.12Å |
| 82 | I | 83.2 | Confident | 73.3 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116 | 170.6 | -54.9 | -177.3 | 0 | 0 | 0 | 106.3 | Y50 Q51 E53 K80 V93 T95 | Y50-I82 CarbonylContact C-O 3.47Å; Y50-I82 WeakPolarHBondContact CA-O 3.42Å; Q51-I82 HydrophobicContact CB-CB 4.25Å; Q51-I82 PolarHBondContact N-O 3.47Å; Q51-I82 PolarHBondContact O-N 3.18Å; E53-I82 HydrophobicContact CG-CD1 4.16Å; E53-I82 WeakPolarHBondContact OE1-CD1 2.93Å; K80-I82 HydrophobicContact CD-CG1 4.33Å; K80-I82 HydrophobicContact CG-CG1 4Å; I82-V93 HydrophobicContact CG2-CG1 3.55Å; I82-T95 HydrophobicContact CB-CG2 4.31Å; I82-T95 HydrophobicContact CG1-CG2 3.97Å; I82-T95 HydrophobicContact CG2-CG2 4.12Å |
| 83 | A | 79.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L11 I13 A39 I48 H49 Y50 A94 | L11-A83 VanDerWaalsContact CD2-O 3.25Å; L11-A83 WeakPolarHBondContact CD2-O 3.34Å; I13-A83 HydrophobicContact CD1-CB 3.49Å; I13-A83 VanDerWaalsContact CD1-CB 3.49Å; I13-A83 HydrophobicContact CG1-CB 3.92Å; A39-A83 HydrophobicContact CB-CB 3.65Å; I48-A83 HydrophobicContact CG2-CB 3.67Å; H49-A83 CarbonylContact O-C 3.55Å; H49-A83 WeakPolarHBondContact O-CA 3.35Å; Y50-A83 HydrophobicContact CD1-CB 3.76Å; Y50-A83 HydrophobicContact CE1-CB 3.71Å; A83-A94 PolarHBondContact N-O 3.26Å; A83-A94 PolarHBondContact O-N 3.45Å |
| 84 | T | 80.5 | Confident | 73.1 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121 | -171.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | I48 H49 Y86 P91 V93 | I48-T84 WeakPolarHBondContact CA-O 2.97Å; H49-T84 PolarHBondContact N-O 2.65Å; H49-T84 PolarHBondContact O-N 2.67Å; T84-Y86 HydrophobicContact CG2-CD2 4.02Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; T84-P91 HydrophobicContact CG2-CB 3.68Å; T84-V93 HydrophobicContact CG2-CG2 3.96Å |
| 85 | Q | 69 | Low | 73.3 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.2 | 172.4 | -172.6 | 177 | 69.5 | 0 | 0 | 110.6 | L11 D46 I48 V87 I92 | L11-Q85 HydrophobicContact CD1-CB 4.42Å; L11-Q85 HydrophobicContact CD2-CB 3.9Å; D46-Q85 HydrophobicContact CB-CG 3.56Å; D46-Q85 PolarHBondContact O-NE2 3.32Å; I48-Q85 HydrophobicContact CG1-CB 4.28Å; I48-Q85 HydrophobicContact CG1-CG 4.45Å; Q85-V87 HydrophobicContact CG-CG2 4Å; Q85-V87 PolarHBondContact O-N 2.87Å; Q85-I92 PolarHBondContact N-O 3.42Å; Q85-I92 PolarHBondContact O-N 3.28Å |
| 86 | Y | 68.1 | Low | 73 | Confident | 134 Ų | 134 | 47.6 Ų | 47.6 | 53% | 0.525 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 71.9 | -175.9 | -73.2 | -95.5 | 0 | 0 | 0 | 112.8 | T84 N88 T90 P91 | T84-Y86 HydrophobicContact CG2-CD2 4.02Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; Y86-N88 PolarHBondContact O-N 3.31Å; Y86-T90 CarbonylContact C-O 3.3Å; Y86-P91 HydrophobicContact CD1-CB 3.91Å; Y86-P91 HydrophobicContact CE1-CB 3.65Å; Y86-P91 HydrophobicContact CE1-CG 4.18Å |
| 87 | V | 64.9 | Low | 72.9 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 114.9 | 178.8 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | Q85 G89 T90 I92 | Q85-V87 HydrophobicContact CG-CG2 4Å; Q85-V87 PolarHBondContact O-N 2.87Å; V87-G89 PolarHBondContact O-N 3.17Å; V87-T90 PolarHBondContact N-O 3.38Å; V87-T90 VanDerWaalsContact N-O 3.13Å; V87-T90 PolarHBondContact O-N 3.23Å; V87-T90 VanDerWaalsContact O-N 3.12Å; V87-T90 PolarHBondContact O-OG1 2.61Å; V87-I92 HydrophobicContact CB-CD1 3.87Å; V87-I92 HydrophobicContact CB-CG1 4.25Å; V87-I92 HydrophobicContact CG2-CD1 3.55Å; V87-I92 HydrophobicContact CG2-CG1 4.1Å |
| 88 | N | 61.1 | Low | 72.4 | Confident | 162 Ų | 162 | 46.7 Ų | 46.7 | 87% | 0.866 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.9 | -176.5 | -67 | -46.5 | 0 | 0 | 0 | 114.4 | Y86 T90 | Y86-N88 PolarHBondContact O-N 3.31Å; N88-T90 PolarHBondContact O-N 3.48Å |
| 89 | G | 63.2 | Low | 72.1 | Confident | 60 Ų | 60 | 48 Ų | 48 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -10.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V87 P91 | V87-G89 PolarHBondContact O-N 3.17Å; G89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | T | 59.7 | Low | 71.8 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.4 | 165.7 | 19.9 | 0 | 0 | 0 | 0 | 110.2 | Y86 V87 N88 I92 | Y86-T90 CarbonylContact C-O 3.3Å; V87-T90 PolarHBondContact N-O 3.38Å; V87-T90 VanDerWaalsContact N-O 3.13Å; V87-T90 PolarHBondContact O-N 3.23Å; V87-T90 VanDerWaalsContact O-N 3.12Å; V87-T90 PolarHBondContact O-OG1 2.61Å; N88-T90 PolarHBondContact O-N 3.48Å; T90-I92 PolarHBondContact O-N 2.98Å; T90-I92 VanDerWaalsContact O-N 3.16Å |
| 91 | P | 62.5 | Low | 71.5 | Confident | 68 Ų | 68 | 47 Ų | 47 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 110.5 | 172.5 | 26.1 | -31.3 | 0 | 0 | 0 | 110.5 | T84 Y86 G89 V93 | T84-P91 HydrophobicContact CG2-CB 3.68Å; Y86-P91 HydrophobicContact CD1-CB 3.91Å; Y86-P91 HydrophobicContact CE1-CB 3.65Å; Y86-P91 HydrophobicContact CE1-CG 4.18Å; G89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-V93 HydrophobicContact CB-CG2 4.15Å; P91-V93 PolarHBondContact O-N 2.75Å |
| 92 | I | 68.1 | Low | 71.2 | Confident | 43 Ų | 43 | 47 Ų | 47 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 93.2 | 159.8 | -49.9 | -172.8 | 0 | 0 | 0 | 106.2 | L11 Q85 V87 T90 | L11-I92 HydrophobicContact CB-CB 4.46Å; L11-I92 HydrophobicContact CB-CG2 3.69Å; L11-I92 VanDerWaalsContact CD2-O 3.25Å; L11-I92 WeakPolarHBondContact CD2-O 3.49Å; Q85-I92 PolarHBondContact N-O 3.42Å; Q85-I92 PolarHBondContact O-N 3.28Å; V87-I92 HydrophobicContact CB-CD1 3.87Å; V87-I92 HydrophobicContact CB-CG1 4.25Å; V87-I92 HydrophobicContact CG2-CD1 3.55Å; V87-I92 HydrophobicContact CG2-CG1 4.1Å; T90-I92 PolarHBondContact O-N 2.98Å; T90-I92 VanDerWaalsContact O-N 3.16Å |
| 93 | V | 73.3 | Confident | 70.6 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | I82 T84 P91 T95 | I82-V93 HydrophobicContact CG2-CG1 3.55Å; T84-V93 HydrophobicContact CG2-CG2 3.96Å; P91-V93 HydrophobicContact CB-CG2 4.15Å; P91-V93 PolarHBondContact O-N 2.75Å; V93-T95 HydrophobicContact CG1-CG2 3.92Å |
| 94 | A | 72.1 | Confident | 69.9 | Low | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 148.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L11 I13 A83 | L11-A94 HydrophobicContact CB-CB 4.41Å; L11-A94 HydrophobicContact CD2-CB 3.72Å; L11-A94 HydrophobicContact CG-CB 3.81Å; I13-A94 VanDerWaalsContact CD1-C 3.44Å; I13-A94 HydrophobicContact CD1-CB 3.73Å; I13-A94 WeakPolarHBondContact CD1-O 3Å; I13-A94 HydrophobicContact CG1-CB 3.68Å; A83-A94 PolarHBondContact N-O 3.26Å; A83-A94 PolarHBondContact O-N 3.45Å |
| 95 | T | 75.2 | Confident | 69.1 | Low | 76 Ų | 76 | 55 Ų | 55 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 132.2 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 109.9 | C81 I82 V93 | C81-T95 WeakPolarHBondContact O-CA 3.41Å; I82-T95 HydrophobicContact CB-CG2 4.31Å; I82-T95 HydrophobicContact CG1-CG2 3.97Å; I82-T95 HydrophobicContact CG2-CG2 4.12Å; V93-T95 HydrophobicContact CG1-CG2 3.92Å |
| 96 | E | 72.4 | Confident | 68.9 | Low | 51 Ų | 51 | 59.9 Ų | 59.9 | 24% | 0.238 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156.7 | 165.3 | -100.4 | -65.4 | 178.6 | 0 | 0 | 109.8 | I13 F15 R23 K80 C81 | I13-E96 HydrophobicContact CB-CB 4.11Å; I13-E96 HydrophobicContact CB-CG 4.15Å; I13-E96 HydrophobicContact CG2-CB 3.76Å; I13-E96 HydrophobicContact CG2-CG 4.17Å; F15-E96 HydrophobicContact CD2-CB 4.07Å; F15-E96 HydrophobicContact CE2-CB 4.2Å; R23-E96 IonicContact CZ-OE1 3.83Å; R23-E96 IonicContact CZ-OE2 2.74Å; R23-E96 IonicContact NE-OE1 2.67Å; R23-E96 IonicContact NE-OE2 3.54Å; R23-E96 PolarHBondContact NE-OE2 2.99Å; R23-E96 VanDerWaalsContact NH2-CD 3.3Å; R23-E96 IonicContact NH2-OE1 3.86Å; R23-E96 PolarHBondContact NH2-OE1 3.03Å; R23-E96 IonicContact NH2-OE2 3.41Å; R23-E96 PolarHBondContact NH2-OE2 2.03Å; K80-E96 WeakPolarHBondContact CA-O 3.2Å; C81-E96 PolarHBondContact N-O 2.79Å; C81-E96 PolarHBondContact O-N 2.77Å; C81-E96 VanDerWaalsContact O-O 3.12Å |
| 97 | S | 73.9 | Confident | 68.4 | Low | 25 Ų | 25 | 55.5 Ų | 55.5 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 137.3 | -174.4 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | E78 Y79 | E78-S97 WeakPolarHBondContact OE1-CB 3.1Å; E78-S97 PolarHBondContact OE1-OG 3.28Å; E78-S97 VanDerWaalsContact OE1-OG 3.11Å; Y79-S97 WeakPolarHBondContact O-CA 3.39Å |
| 98 | T | 68.4 | Low | 68 | Low | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.5 | 169.8 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | F15 F35 Y79 | F15-T98 HydrophobicContact CE1-CG2 4.13Å; F35-T98 HydrophobicContact CD1-CG2 4.45Å; F35-T98 HydrophobicContact CE1-CG2 4.31Å; Y79-T98 PolarHBondContact N-O 2.88Å; Y79-T98 PolarHBondContact O-N 2.72Å |
| 99 | F | 77.2 | Confident | 68.2 | Low | 77 Ų | 77 | 52.1 Ų | 52.1 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.9 | 172.1 | -167.7 | -83.5 | 0 | 0 | 0 | 108.1 | R23 I24 Q25 E76 G77 E78 | R23-F99 PolarHBondContact O-N 3.35Å; I24-F99 CarbonylContact C-O 3.53Å; I24-F99 VanDerWaalsContact CA-O 3.27Å; I24-F99 WeakPolarHBondContact CA-O 3.34Å; I24-F99 HydrophobicContact CG1-CB 4.23Å; I24-F99 HydrophobicContact CG2-CD1 4.31Å; Q25-F99 PolarHBondContact N-O 3.01Å; E76-F99 HydrophobicContact CG-CE1 3.88Å; E76-F99 HydrophobicContact CG-CZ 3.88Å; G77-F99 CarbonylContact O-C 3.58Å; G77-F99 WeakPolarHBondContact O-CA 3.35Å; E78-F99 HydrophobicContact CB-CD2 4.17Å |
| 100 | I | 74.4 | Confident | 68.1 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.8 | 169.6 | -58.6 | -148 | 0 | 0 | 0 | 107.5 | I27 V33 F35 I71 E76 G77 Y79 V102 | I27-I100 HydrophobicContact CB-CG2 4.25Å; I27-I100 HydrophobicContact CD1-CD1 3.81Å; I27-I100 HydrophobicContact CD1-CG2 4.09Å; I27-I100 HydrophobicContact CG1-CG2 4.18Å; V33-I100 HydrophobicContact CG1-CD1 3.82Å; F35-I100 HydrophobicContact CD1-CD1 4.42Å; F35-I100 HydrophobicContact CE1-CD1 3.4Å; F35-I100 HydrophobicContact CE1-CG1 3.94Å; F35-I100 HydrophobicContact CE2-CD1 4.23Å; F35-I100 HydrophobicContact CZ-CD1 3.29Å; F35-I100 HydrophobicContact CZ-CG1 4.06Å; I71-I100 HydrophobicContact CD1-CG2 3.96Å; E76-I100 WeakPolarHBondContact CA-O 3.36Å; E76-I100 WeakPolarHBondContact CG-O 3.46Å; G77-I100 PolarHBondContact N-O 3.22Å; G77-I100 VanDerWaalsContact N-O 3.16Å; G77-I100 PolarHBondContact O-N 3.19Å; Y79-I100 HydrophobicContact CD2-CB 4.11Å; Y79-I100 HydrophobicContact CD2-CG1 3.93Å; Y79-I100 HydrophobicContact CE2-CB 4.1Å; Y79-I100 HydrophobicContact CE2-CG1 4.29Å; I100-V102 HydrophobicContact CG2-CG2 4.01Å |
| 101 | S | 74.3 | Confident | 68.3 | Low | 22 Ų | 22 | 50.9 Ų | 50.9 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 99.4 | 170.2 | -172.9 | 0 | 0 | 0 | 0 | 109 | Q25 V26 I27 E76 R103 | Q25-S101 PolarHBondContact O-N 2.91Å; V26-S101 WeakPolarHBondContact CA-O 3.47Å; I27-S101 PolarHBondContact N-O 3.01Å; E76-S101 WeakPolarHBondContact OE1-CA 3.28Å; E76-S101 WeakPolarHBondContact OE1-CB 3.48Å; E76-S101 PolarHBondContact OE1-OG 3.38Å; S101-R103 PolarHBondContact O-N 2.91Å |
| 102 | V | 73.8 | Confident | 68.4 | Low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.1 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | I27 E29 I71 K73 E76 I100 | I27-V102 CarbonylContact O-C 3.42Å; I27-V102 VanDerWaalsContact O-CA 3.28Å; I27-V102 WeakPolarHBondContact O-CA 3.37Å; E29-V102 HydrophobicContact CB-CG1 4.08Å; I71-V102 HydrophobicContact CD1-CG2 3.77Å; I71-V102 HydrophobicContact CG1-CG2 3.93Å; K73-V102 HydrophobicContact CD-CB 4.18Å; K73-V102 WeakPolarHBondContact CD-O 3.42Å; K73-V102 WeakPolarHBondContact CE-O 3.07Å; K73-V102 PolarHBondContact NZ-O 2.87Å; E76-V102 HydrophobicContact CB-CB 4.33Å; E76-V102 HydrophobicContact CB-CG2 4.25Å; E76-V102 PolarHBondContact OE1-N 2.98Å; I100-V102 HydrophobicContact CG2-CG2 4.01Å |
| 103 | R | 71.1 | Confident | 68.4 | Low | 104 Ų | 104 | 51 Ų | 51 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.5 | 172.8 | -69 | -170.3 | -177.1 | -153.6 | -2.1 | 110.2 | V26 I27 Y28 E29 S101 | V26-R103 HydrophobicContact CG1-CB 4.44Å; V26-R103 HydrophobicContact CG1-CG 3.91Å; I27-R103 PolarHBondContact O-N 3.11Å; Y28-R103 CarbonylContact C-O 3.54Å; Y28-R103 WeakPolarHBondContact CA-O 3.25Å; Y28-R103 HydrophobicContact CD1-CB 3.88Å; Y28-R103 WeakPolarHBondContact CD1-O 3.22Å; Y28-R103 HydrophobicContact CE1-CB 3.79Å; E29-R103 PolarHBondContact N-O 2.75Å; S101-R103 PolarHBondContact O-N 2.91Å |
| 104 | K | 64.3 | Low | 67.9 | Low | 87 Ų | 87 | 48.1 Ų | 48.1 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | trans | -71.9 | 136.7 | 155.8 | -158.4 | 174.6 | -177.8 | -172.1 | 0 | 106 | I108 Q2274 | K104-I108 HydrophobicContact CG-CD1 4.35Å; K104-Q2274 PolarHBondContact NZ-O 2.73Å | ||
| 105 | A | 63.9 | Low | 67.2 | Low | 9 Ų | 9 | 50.4 Ų | 50.4 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | trans | -68.8 | 151 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y28 S107 I108 A186 | Y28-A105 HydrophobicContact CD1-CB 4.03Å; Y28-A105 HydrophobicContact CE1-CB 4.41Å; A105-S107 WeakPolarHBondContact CB-O 3.05Å; A105-S107 PolarHBondContact O-N 3.33Å; A105-I108 HydrophobicContact CB-CG1 4.17Å; A105-A186 HydrophobicContact CB-CB 3.68Å | ||
| 106 | D | 65.4 | Low | 66.4 | Low | 110 Ų | 110 | 48.1 Ų | 48.1 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -68.9 | -30.9 | -173.6 | -49.7 | -44.1 | 0 | 0 | 0 | 110.6 | T183 S184 | D106-T183 VanDerWaalsContact OD2-CA 3.24Å; D106-T183 WeakPolarHBondContact OD2-CA 3.33Å; D106-T183 VanDerWaalsContact OD2-CB 3.26Å; D106-T183 WeakPolarHBondContact OD2-CB 3.1Å; D106-T183 PolarHBondContact OD2-OG1 3.3Å; D106-S184 WeakPolarHBondContact CB-O 3.28Å; D106-S184 PolarHBondContact N-O 2.91Å; D106-S184 PolarHBondContact OD2-N 2.84Å |
| 107 | S | 56.3 | Low | 65.9 | Low | 41 Ų | 41 | 48.8 Ų | 48.8 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.7 | 163.2 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | A105 S185 A186 | A105-S107 WeakPolarHBondContact CB-O 3.05Å; A105-S107 PolarHBondContact O-N 3.33Å; S107-S185 WeakPolarHBondContact OG-CB 3.16Å; S107-A186 PolarHBondContact O-N 3.27Å |
| 108 | I | 58.1 | Low | 65.3 | Low | 72 Ų | 72 | 51.4 Ų | 51.4 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 107.6 | 169.7 | -51.7 | 179.2 | 0 | 0 | 0 | 107.4 | K104 A105 A186 | K104-I108 HydrophobicContact CG-CD1 4.35Å; A105-I108 HydrophobicContact CB-CG1 4.17Å; I108-A186 WeakPolarHBondContact CA-O 3.32Å; I108-A186 HydrophobicContact CB-CB 4.49Å; I108-A186 HydrophobicContact CG1-CB 4.2Å; I108-A186 HydrophobicContact CG2-CB 4.26Å |
| 109 | I | 65.3 | Low | 65 | Low | 57 Ų | 57 | 51.2 Ų | 51.2 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.9 | 172.1 | -60 | 172.9 | 0 | 0 | 0 | 107.4 | Q111 N124 A186 T187 K188 | I109-Q111 HydrophobicContact CG2-CG 4.27Å; I109-N124 HydrophobicContact CD1-CB 4.25Å; I109-A186 PolarHBondContact N-O 3.06Å; I109-T187 HydrophobicContact CB-CG2 4.43Å; I109-T187 HydrophobicContact CG2-CG2 4.45Å; I109-T187 CarbonylContact O-C 3.51Å; I109-T187 VanDerWaalsContact O-CA 3.25Å; I109-T187 WeakPolarHBondContact O-CA 3.39Å; I109-K188 PolarHBondContact O-N 2.81Å |
| 110 | T | 60.2 | Low | 64.8 | Low | 63 Ų | 63 | 54.7 Ų | 54.7 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136 | 165.5 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | K188 N190 | T110-K188 CarbonylContact C-O 3.55Å; T110-K188 WeakPolarHBondContact CA-O 3.41Å; T110-K188 HydrophobicContact CG2-CB 4.3Å; T110-K188 HydrophobicContact CG2-CD 4.49Å; T110-K188 HydrophobicContact CG2-CG 4.45Å; T110-N190 VanDerWaalsContact CG2-ND2 3.29Å; T110-N190 WeakPolarHBondContact CG2-ND2 3.44Å |
| 111 | Q | 63.5 | Low | 65.1 | Low | 66 Ų | 66 | 54.7 Ų | 54.7 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.5 | 171.3 | -76.1 | -170.3 | -18.6 | 0 | 0 | 108.9 | I109 V113 T187 K188 I189 N190 | I109-Q111 HydrophobicContact CG2-CG 4.27Å; Q111-V113 HydrophobicContact CB-CG2 4.05Å; Q111-T187 HydrophobicContact CB-CG2 4.25Å; Q111-T187 HydrophobicContact CG-CG2 4.04Å; Q111-K188 PolarHBondContact N-O 3Å; Q111-I189 VanDerWaalsContact O-CA 3.32Å; Q111-I189 WeakPolarHBondContact O-CA 3.15Å; Q111-N190 PolarHBondContact O-N 2.63Å |
| 112 | D | 65.4 | Low | 65.4 | Low | 95 Ų | 95 | 57.9 Ų | 57.9 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123 | 172 | -71.8 | 1.2 | 0 | 0 | 0 | 107.5 | N190 I192 | D112-N190 WeakPolarHBondContact CA-O 3.13Å; D112-N190 WeakPolarHBondContact OD1-CB 3.38Å; D112-N190 PolarHBondContact OD1-ND2 2.92Å; D112-I192 HydrophobicContact CB-CD1 3.88Å |
| 113 | V | 67.1 | Low | 65.6 | Low | 18 Ų | 18 | 58.6 Ų | 58.6 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.1 | -169.6 | -163.1 | 0 | 0 | 0 | 0 | 110.6 | Q111 I117 V119 I189 N190 V191 I192 | Q111-V113 HydrophobicContact CB-CG2 4.05Å; V113-I117 HydrophobicContact CG1-CB 3.94Å; V113-I117 HydrophobicContact CG1-CG2 3.92Å; V113-V119 HydrophobicContact CB-CG2 4.33Å; V113-V119 HydrophobicContact CG1-CG2 3.97Å; V113-V119 HydrophobicContact CG2-CG1 3.94Å; V113-V119 HydrophobicContact CG2-CG2 4.36Å; V113-I189 HydrophobicContact CG2-CG2 4.19Å; V113-N190 PolarHBondContact N-O 3.17Å; V113-V191 CarbonylContact O-C 3.56Å; V113-V191 VanDerWaalsContact O-CA 3.32Å; V113-V191 WeakPolarHBondContact O-CA 3.44Å; V113-I192 PolarHBondContact O-N 2.88Å |
| 114 | E | 64 | Low | 65.4 | Low | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 143.9 | -179.7 | -59.8 | -178 | -179.2 | 0 | 0 | 112.1 | G116 I117 I192 A195 S223 A224 | E114-G116 PolarHBondContact O-N 2.98Å; E114-I117 HydrophobicContact CB-CD1 3.84Å; E114-I117 HydrophobicContact CB-CG1 4.39Å; E114-I117 WeakPolarHBondContact O-CB 3.27Å; E114-I117 PolarHBondContact O-N 3.04Å; E114-I192 CarbonylContact C-O 3.59Å; E114-I192 WeakPolarHBondContact CA-O 3.39Å; E114-A195 VanDerWaalsContact OE2-CB 3.29Å; E114-A195 WeakPolarHBondContact OE2-CB 3.09Å; E114-A195 PolarHBondContact OE2-N 3.17Å; E114-S223 WeakPolarHBondContact OE1-CB 3.49Å; E114-S223 PolarHBondContact OE1-OG 3.45Å; E114-A224 PolarHBondContact OE1-N 2.84Å |
| 115 | E | 58.1 | Low | 65.5 | Low | 58 Ų | 58 | 56.2 Ų | 56.2 | 27% | 0.271 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 130.5 | 180 | -172.3 | -177.4 | 158.9 | 0 | 0 | 111.9 | I160 K161 V191 I192 R194 | E115-I160 WeakPolarHBondContact CG-O 3.29Å; E115-K161 HydrophobicContact CG-CD 3.85Å; E115-K161 WeakPolarHBondContact OE1-CD 3.34Å; E115-K161 WeakPolarHBondContact OE1-CE 3.49Å; E115-K161 IonicContact OE1-NZ 3.66Å; E115-K161 PolarHBondContact OE1-NZ 2.88Å; E115-V191 HydrophobicContact CB-CG1 4.25Å; E115-I192 PolarHBondContact N-O 3.39Å; E115-R194 HydrophobicContact CB-CB 4.47Å |
| 116 | G | 56.6 | Low | 65.3 | Low | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -18.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E114 H159 I160 | E114-G116 PolarHBondContact O-N 2.98Å; G116-H159 PolarHBondContact O-ND1 2.82Å; G116-I160 PolarHBondContact N-O 2.81Å |
| 117 | I | 61.5 | Low | 65.1 | Low | 65 Ų | 65 | 56.9 Ų | 56.9 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | trans | -68.2 | 148.3 | 176.2 | -64.3 | -177.5 | 0 | 0 | 0 | 110.8 | V113 E114 V119 | V113-I117 HydrophobicContact CG1-CB 3.94Å; V113-I117 HydrophobicContact CG1-CG2 3.92Å; E114-I117 HydrophobicContact CB-CD1 3.84Å; E114-I117 HydrophobicContact CB-CG1 4.39Å; E114-I117 WeakPolarHBondContact O-CB 3.27Å; E114-I117 PolarHBondContact O-N 3.04Å; I117-V119 PolarHBondContact O-N 2.87Å | ||
| 118 | L | 61.5 | Low | 65.2 | Low | 81 Ų | 81 | 61.7 Ų | 61.7 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | trans | -78.2 | 100.3 | 170.9 | 178.3 | 67.1 | 0 | 0 | 0 | 110.2 | R120 E156 L157 | L118-R120 HydrophobicContact CG-CG 4.39Å; L118-R120 PolarHBondContact O-N 3.35Å; L118-E156 HydrophobicContact CD1-CB 4.22Å; L118-L157 WeakPolarHBondContact CA-O 3.4Å | ||
| 119 | V | 62.7 | Low | 65.1 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.5 | 176.5 | -154.6 | 0 | 0 | 0 | 0 | 109.8 | V113 I117 I121 E156 L157 I160 I189 | V113-V119 HydrophobicContact CB-CG2 4.33Å; V113-V119 HydrophobicContact CG1-CG2 3.97Å; V113-V119 HydrophobicContact CG2-CG1 3.94Å; V113-V119 HydrophobicContact CG2-CG2 4.36Å; I117-V119 PolarHBondContact O-N 2.87Å; V119-I121 HydrophobicContact CG1-CG2 3.97Å; V119-E156 CarbonylContact O-C 3.45Å; V119-E156 WeakPolarHBondContact O-CA 3.28Å; V119-L157 HydrophobicContact CB-CB 4.17Å; V119-L157 HydrophobicContact CG2-CB 4.26Å; V119-L157 PolarHBondContact N-O 3.19Å; V119-L157 PolarHBondContact O-N 3.4Å; V119-I160 HydrophobicContact CG2-CB 4Å; V119-I160 HydrophobicContact CG2-CD1 3.83Å; V119-I160 HydrophobicContact CG2-CG2 3.61Å; V119-I189 HydrophobicContact CG1-CD1 4.11Å |
| 120 | R | 73.4 | Confident | 64.8 | Low | 150 Ų | 150 | 65.8 Ų | 65.8 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 100.9 | 172.2 | -66 | -170.8 | 165.4 | 134.5 | -0.4 | 109.7 | L118 E156 | L118-R120 HydrophobicContact CG-CG 4.39Å; L118-R120 PolarHBondContact O-N 3.35Å; R120-E156 HydrophobicContact CG-CG 3.97Å; R120-E156 IonicContact CZ-OE2 2.63Å; R120-E156 IonicContact NE-OE1 2.68Å; R120-E156 PolarHBondContact NE-OE1 2.76Å; R120-E156 IonicContact NE-OE2 3.65Å; R120-E156 PolarHBondContact NE-OE2 3.48Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 2.75Å; R120-E156 VanDerWaalsContact NH2-OE2 3.07Å |
| 121 | I | 80.5 | Confident | 65 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.2 | 175.4 | 63.3 | 179.6 | 0 | 0 | 0 | 110.1 | V119 W141 K154 L155 Y168 T187 I189 | V119-I121 HydrophobicContact CG1-CG2 3.97Å; I121-W141 HydrophobicContact CB-CH2 3.95Å; I121-W141 HydrophobicContact CB-CZ3 4.36Å; I121-W141 HydrophobicContact CD1-CE3 3.7Å; I121-W141 HydrophobicContact CD1-CH2 3.72Å; I121-W141 HydrophobicContact CD1-CZ2 4.5Å; I121-W141 HydrophobicContact CD1-CZ3 3.26Å; I121-W141 HydrophobicContact CG1-CE3 4.23Å; I121-W141 HydrophobicContact CG1-CH2 3.53Å; I121-W141 HydrophobicContact CG1-CZ2 4.01Å; I121-W141 HydrophobicContact CG1-CZ3 3.66Å; I121-W141 WeakPolarHBondContact O-CZ2 3.3Å; I121-K154 WeakPolarHBondContact O-CA 3.39Å; I121-L155 HydrophobicContact CD1-CB 4.21Å; I121-L155 HydrophobicContact CD1-CD2 3.87Å; I121-L155 HydrophobicContact CG1-CB 3.73Å; I121-L155 HydrophobicContact CG1-CD2 4.28Å; I121-L155 HydrophobicContact CG1-CG 4.49Å; I121-L155 PolarHBondContact N-O 2.9Å; I121-L155 PolarHBondContact O-N 2.74Å; I121-Y168 HydrophobicContact CD1-CG 4.31Å; I121-T187 HydrophobicContact CB-CG2 4.5Å; I121-T187 HydrophobicContact CG2-CG2 3.81Å; I121-I189 HydrophobicContact CD1-CD1 4.27Å; I121-I189 HydrophobicContact CG2-CD1 3.99Å; I121-I189 HydrophobicContact CG2-CG1 4.48Å |
| 122 | L | 80.2 | Confident | 65.1 | Low | 89 Ų | 89 | 69.6 Ų | 69.6 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.7 | -179.6 | -55.7 | -174 | 0 | 0 | 0 | 109.6 | N124 W153 K154 | L122-N124 PolarHBondContact O-N 3.04Å; L122-W153 HydrophobicContact CD1-CZ3 4.22Å; L122-W153 HydrophobicContact CD2-CE3 4.15Å; L122-W153 HydrophobicContact CD2-CH2 4.43Å; L122-W153 HydrophobicContact CD2-CZ3 3.66Å; L122-W153 HydrophobicContact CG-CZ3 4.43Å; L122-K154 HydrophobicContact CD2-CB 3.6Å |
| 123 | C | 77.8 | Confident | 65.1 | Low | 14 Ų | 14 | 68.9 Ų | 68.9 | 10% | 0.095 | 39% | 0.386 | C | S | . | . | trans | -79.3 | 75.8 | -178.8 | -169.1 | 0 | 0 | 0 | 0 | 109.9 | V125 Y139 W141 W153 C170 V172 | C123-V125 PolarHBondContact O-N 2.03Å; C123-Y139 HydrophobicContact CB-CD1 3.91Å; C123-Y139 HydrophobicContact CB-CE1 4.18Å; C123-W141 HydrophobicContact CB-CH2 4.45Å; C123-W141 HydrophobicContact CB-CZ2 3.79Å; C123-W153 WeakPolarHBondContact CB-O 3.49Å; C123-W153 PolarHBondContact N-O 3.26Å; C123-C170 HydrophobicContact CB-CB 3.74Å; C123-C170 WeakPolarHBondContact CB-SG 3.34Å; C123-C170 WeakPolarHBondContact SG-CB 3.38Å; C123-C170 CovalentContact SG-SG 2.02Å; C123-C170 PolarHBondContact SG-SG 2.63Å; C123-V172 WeakPolarHBondContact SG-CG2 3.33Å | ||
| 124 | N | 66.6 | Low | 65.1 | Low | 109 Ų | 109 | 68.6 Ų | 68.6 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -74.4 | 89.8 | -173.4 | -168.8 | 13.3 | 0 | 0 | 0 | 111 | I109 L122 | I109-N124 HydrophobicContact CD1-CB 4.25Å; L122-N124 PolarHBondContact O-N 3.04Å | ||
| 125 | V | 66.9 | Low | 65.4 | Low | 32 Ų | 32 | 68.8 Ų | 68.8 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | trans | -135 | 123.2 | -178.1 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | C123 V172 T183 S185 | C123-V125 PolarHBondContact O-N 2.03Å; V125-V172 HydrophobicContact CB-CG2 3.92Å; V125-V172 HydrophobicContact CG1-CB 4.42Å; V125-V172 HydrophobicContact CG1-CG2 4.13Å; V125-V172 HydrophobicContact CG2-CG2 3.74Å; V125-T183 HydrophobicContact CG1-CG2 3.46Å; V125-T183 VanDerWaalsContact CG1-CG2 3.46Å; V125-T183 WeakPolarHBondContact CG1-OG1 3.34Å; V125-S185 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 126 | S | 60 | Low | 66.2 | Low | 63 Ų | 63 | 71.6 Ų | 71.6 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | trans | -60.9 | 140.2 | -176.4 | 161 | 0 | 0 | 0 | 0 | 111.9 | D128 | S126-D128 VanDerWaalsContact C-N 3.35Å; S126-D128 WeakPolarHBondContact OG-CB 3.33Å; S126-D128 VanDerWaalsContact OG-CG 3.26Å; S126-D128 PolarHBondContact OG-N 3.43Å; S126-D128 PolarHBondContact OG-OD2 3.29Å | ||
| 127 | S | 61.6 | Low | 67.2 | Low | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -82.1 | -10.3 | 170.3 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | E129 K130 | S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 2.75Å; S127-K130 WeakPolarHBondContact O-CB 3.11Å; S127-K130 PolarHBondContact O-N 2.98Å |
| 128 | D | 59 | Low | 68.1 | Low | 142 Ų | 142 | 77.3 Ų | 77.3 | 76% | 0.759 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -24.2 | -167.8 | -48.1 | -56.1 | 0 | 0 | 0 | 112.4 | S126 K130 | S126-D128 VanDerWaalsContact C-N 3.35Å; S126-D128 WeakPolarHBondContact OG-CB 3.33Å; S126-D128 VanDerWaalsContact OG-CG 3.26Å; S126-D128 PolarHBondContact OG-N 3.43Å; S126-D128 PolarHBondContact OG-OD2 3.29Å; D128-K130 VanDerWaalsContact C-N 3.27Å; D128-K130 PolarHBondContact O-N 3.08Å |
| 129 | E | 54.3 | Low | 69.1 | Low | 147 Ų | 147 | 76 Ų | 76 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.1 | 169.2 | -64.7 | -158.4 | 153.8 | 0 | 0 | 113.7 | S127 P131 Y174 | S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 2.75Å; E129-P131 WeakPolarHBondContact O-CD 3.35Å; E129-Y174 PolarHBondContact O-OH 2.99Å |
| 130 | K | 59.4 | Low | 69.9 | Low | 68 Ų | 68 | 77 Ų | 77 | 30% | 0.296 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -78.2 | 112.5 | 179 | -173 | -170 | 169.9 | -177.5 | 0 | 109.9 | S127 D128 A134 G135 F137 Y174 | S127-K130 WeakPolarHBondContact O-CB 3.11Å; S127-K130 PolarHBondContact O-N 2.98Å; D128-K130 VanDerWaalsContact C-N 3.27Å; D128-K130 PolarHBondContact O-N 3.08Å; K130-A134 HydrophobicContact CD-CB 4.31Å; K130-A134 VanDerWaalsContact CE-CB 3.44Å; K130-A134 WeakPolarHBondContact CE-O 3.49Å; K130-A134 HydrophobicContact CG-CB 3.75Å; K130-A134 PolarHBondContact NZ-O 3.33Å; K130-G135 WeakPolarHBondContact CE-O 3.42Å; K130-G135 PolarHBondContact NZ-O 2.95Å; K130-F137 HydrophobicContact CB-CE1 4.32Å; K130-F137 HydrophobicContact CB-CZ 3.97Å; K130-F137 HydrophobicContact CD-CE1 3.93Å; K130-F137 HydrophobicContact CD-CE2 4.21Å; K130-F137 HydrophobicContact CD-CZ 3.69Å; K130-F137 HydrophobicContact CG-CE1 4.21Å; K130-F137 HydrophobicContact CG-CZ 4.15Å; K130-Y174 HydrophobicContact CG-CD2 4.42Å; K130-Y174 HydrophobicContact CG-CE2 4.24Å |
| 131 | P | 65.6 | Low | 70.2 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -73.2 | 150.7 | -177 | -15.8 | 32.7 | 0 | 0 | 0 | 112.4 | E129 G133 A134 F176 | E129-P131 WeakPolarHBondContact O-CD 3.35Å; P131-G133 PolarHBondContact O-N 2.95Å; P131-A134 WeakPolarHBondContact O-CB 3.23Å; P131-A134 PolarHBondContact O-N 2.85Å; P131-F176 HydrophobicContact CB-CD1 4.28Å; P131-F176 HydrophobicContact CB-CD2 4.11Å; P131-F176 HydrophobicContact CB-CE1 3.9Å; P131-F176 HydrophobicContact CB-CE2 3.72Å; P131-F176 HydrophobicContact CB-CG 4.38Å; P131-F176 HydrophobicContact CB-CZ 3.6Å; P131-F176 HydrophobicContact CG-CD1 3.91Å; P131-F176 HydrophobicContact CG-CD2 4.4Å; P131-F176 HydrophobicContact CG-CE1 3.88Å; P131-F176 HydrophobicContact CG-CE2 4.38Å; P131-F176 HydrophobicContact CG-CG 4.18Å; P131-F176 HydrophobicContact CG-CZ 4.12Å | ||
| 132 | D | 64.8 | Low | 70.1 | Confident | 167 Ų | 167 | 72.6 Ų | 72.6 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 126.7 | 173.1 | -83.7 | -43.9 | 0 | 0 | 0 | 111.6 | F176 | D132-F176 WeakPolarHBondContact O-CE2 3.33Š|
| 133 | G | 65.9 | Low | 69.8 | Low | 79 Ų | 79 | 69.8 Ų | 69.8 | 81% | 0.814 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -0.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P131 | P131-G133 PolarHBondContact O-N 2.95Š|
| 134 | A | 67.1 | Low | 69.3 | Low | 12 Ų | 12 | 69.7 Ų | 69.7 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | trans | -71.7 | 142.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K130 P131 Y174 F176 | K130-A134 HydrophobicContact CD-CB 4.31Å; K130-A134 VanDerWaalsContact CE-CB 3.44Å; K130-A134 WeakPolarHBondContact CE-O 3.49Å; K130-A134 HydrophobicContact CG-CB 3.75Å; K130-A134 PolarHBondContact NZ-O 3.33Å; P131-A134 WeakPolarHBondContact O-CB 3.23Å; P131-A134 PolarHBondContact O-N 2.85Å; A134-Y174 HydrophobicContact CB-CD2 3.73Å; A134-Y174 HydrophobicContact CB-CE2 4.05Å; A134-F176 HydrophobicContact CB-CB 3.95Å; A134-F176 HydrophobicContact CB-CD2 3.82Å; A134-F176 HydrophobicContact CB-CG 4.22Å | ||
| 135 | G | 70.6 | Confident | 69 | Low | 22 Ų | 22 | 69.3 Ų | 69.3 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | trans | -64 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K130 E175 | K130-G135 WeakPolarHBondContact CE-O 3.42Å; K130-G135 PolarHBondContact NZ-O 2.95Å; G135-E175 PolarHBondContact N-O 3.1Å | ||
| 136 | P | 73.7 | Confident | 68.8 | Low | 117 Ų | 117 | 68.5 Ų | 68.5 | 76% | 0.76 | 38% | 0.384 | S | S | * | . | trans | -64.5 | 149.2 | 179.7 | 28.2 | -35.1 | 0 | 0 | 0 | 111.8 | ||||
| 137 | F | 77.7 | Confident | 69 | Low | 56 Ų | 56 | 69.2 Ų | 69.2 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | trans | -71.3 | 132.5 | 171.8 | -68.5 | -48.8 | 0 | 0 | 0 | 111 | K130 Y139 V172 S173 Y174 | K130-F137 HydrophobicContact CB-CE1 4.32Å; K130-F137 HydrophobicContact CB-CZ 3.97Å; K130-F137 HydrophobicContact CD-CE1 3.93Å; K130-F137 HydrophobicContact CD-CE2 4.21Å; K130-F137 HydrophobicContact CD-CZ 3.69Å; K130-F137 HydrophobicContact CG-CE1 4.21Å; K130-F137 HydrophobicContact CG-CZ 4.15Å; F137-Y139 HydrophobicContact CB-CE2 3.7Å; F137-V172 HydrophobicContact CB-CG1 3.85Å; F137-V172 HydrophobicContact CD1-CG1 3.44Å; F137-V172 VanDerWaalsContact CD1-CG1 3.44Å; F137-V172 HydrophobicContact CE1-CG1 4.09Å; F137-V172 HydrophobicContact CG-CG1 3.78Å; F137-S173 CarbonylContact C-O 3.49Å; F137-S173 WeakPolarHBondContact CA-O 3.41Å; F137-Y174 AromaticContact CD1-CD1 3.7Å; F137-Y174 HydrophobicContact CD1-CD1 3.7Å; F137-Y174 HydrophobicContact CD1-CG 4.16Å; F137-Y174 AromaticContact CE1-CD1 3.49Å; F137-Y174 HydrophobicContact CE1-CD1 3.49Å; F137-Y174 VanDerWaalsContact CE1-CD1 3.49Å; F137-Y174 AromaticContact CE1-CE1 3.89Å; F137-Y174 HydrophobicContact CE1-CE1 3.89Å; F137-Y174 HydrophobicContact CE1-CG 4.11Å | ||
| 138 | R | 79.9 | Confident | 69.5 | Low | 156 Ų | 156 | 69.9 Ų | 69.9 | 59% | 0.589 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.1 | 170.1 | 165.5 | -175.2 | 172 | 138.4 | -1.7 | 108.8 | E140 V172 S173 | R138-E140 IonicContact CZ-OE1 2.7Å; R138-E140 IonicContact NE-OE1 3.38Å; R138-E140 PolarHBondContact NE-OE1 3.25Å; R138-E140 IonicContact NH2-OE1 3.6Å; R138-E140 PolarHBondContact NH2-OE1 2.88Å; R138-V172 CarbonylContact O-C 3.45Å; R138-V172 WeakPolarHBondContact O-CA 3.05Å; R138-S173 PolarHBondContact N-O 3.03Å; R138-S173 PolarHBondContact O-N 3.27Å; R138-S173 PolarHBondContact O-OG 2.97Å |
| 139 | Y | 83 | Confident | 70.2 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.9 | -175.4 | -56.6 | -93.3 | 0 | 0 | 0 | 110.9 | C123 F137 T151 Q152 W153 R171 V172 | C123-Y139 HydrophobicContact CB-CD1 3.91Å; C123-Y139 HydrophobicContact CB-CE1 4.18Å; F137-Y139 HydrophobicContact CB-CE2 3.7Å; Y139-T151 CarbonylContact O-C 3.53Å; Y139-T151 VanDerWaalsContact O-CA 3.25Å; Y139-T151 WeakPolarHBondContact O-CA 3.33Å; Y139-Q152 WeakPolarHBondContact CB-O 3.1Å; Y139-W153 HydrophobicContact CD1-CB 3.91Å; Y139-W153 HydrophobicContact CD2-CB 4.01Å; Y139-W153 HydrophobicContact CE1-CB 3.68Å; Y139-W153 HydrophobicContact CE2-CB 3.79Å; Y139-W153 HydrophobicContact CG-CB 4.07Å; Y139-R171 CarbonylContact C-O 3.47Å; Y139-R171 WeakPolarHBondContact CA-O 3.38Å; Y139-V172 HydrophobicContact CD1-CG1 4.45Å; Y139-V172 HydrophobicContact CD1-CG2 3.73Å; Y139-V172 HydrophobicContact CE1-CG1 4.16Å; Y139-V172 HydrophobicContact CE1-CG2 3.75Å |
| 140 | E | 79.2 | Confident | 71.3 | Confident | 26 Ų | 26 | 60 Ų | 60 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 107.7 | 177.1 | -69.3 | -176.4 | -177.9 | 0 | 0 | 110.2 | R138 L148 C170 R171 | R138-E140 IonicContact CZ-OE1 2.7Å; R138-E140 IonicContact NE-OE1 3.38Å; R138-E140 PolarHBondContact NE-OE1 3.25Å; R138-E140 IonicContact NH2-OE1 3.6Å; R138-E140 PolarHBondContact NH2-OE1 2.88Å; E140-L148 HydrophobicContact CB-CD1 3.74Å; E140-L148 HydrophobicContact CG-CD1 4.19Å; E140-C170 CarbonylContact O-C 3.37Å; E140-C170 WeakPolarHBondContact O-CA 3.39Å; E140-R171 HydrophobicContact CB-CB 4.49Å; E140-R171 PolarHBondContact N-O 2.99Å; E140-R171 PolarHBondContact O-N 3.26Å |
| 141 | W | 80.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.1 | 176.4 | -74.2 | 97.7 | 0 | 0 | 0 | 111.8 | I121 C123 L148 V149 G150 Q152 L155 V169 C170 | I121-W141 HydrophobicContact CB-CH2 3.95Å; I121-W141 HydrophobicContact CB-CZ3 4.36Å; I121-W141 HydrophobicContact CD1-CE3 3.7Å; I121-W141 HydrophobicContact CD1-CH2 3.72Å; I121-W141 HydrophobicContact CD1-CZ2 4.5Å; I121-W141 HydrophobicContact CD1-CZ3 3.26Å; I121-W141 HydrophobicContact CG1-CE3 4.23Å; I121-W141 HydrophobicContact CG1-CH2 3.53Å; I121-W141 HydrophobicContact CG1-CZ2 4.01Å; I121-W141 HydrophobicContact CG1-CZ3 3.66Å; I121-W141 WeakPolarHBondContact O-CZ2 3.3Å; C123-W141 HydrophobicContact CB-CH2 4.45Å; C123-W141 HydrophobicContact CB-CZ2 3.79Å; W141-L148 CarbonylContact O-C 3.58Å; W141-L148 WeakPolarHBondContact O-CA 3.49Å; W141-L148 WeakPolarHBondContact O-CD1 2.95Å; W141-V149 HydrophobicContact CB-CG2 4.21Å; W141-V149 PolarHBondContact O-N 3.31Å; W141-G150 PolarHBondContact N-O 2.99Å; W141-G150 PolarHBondContact O-N 3.5Å; W141-Q152 PolarHBondContact NE1-O 2.73Å; W141-L155 HydrophobicContact CB-CD1 4.3Å; W141-L155 HydrophobicContact CB-CD2 4.26Å; W141-L155 HydrophobicContact CD2-CB 3.78Å; W141-L155 HydrophobicContact CD2-CD2 4.35Å; W141-L155 HydrophobicContact CE3-CB 4.38Å; W141-L155 HydrophobicContact CE3-CD2 4.39Å; W141-L155 HydrophobicContact CG-CB 3.87Å; W141-L155 HydrophobicContact CG-CD1 4.41Å; W141-L155 HydrophobicContact CG-CD2 4.33Å; W141-L155 HydrophobicContact CG-CG 4.45Å; W141-L155 HydrophobicContact CZ2-CB 4.37Å; W141-V169 CarbonylContact C-O 3.55Å; W141-V169 VanDerWaalsContact CA-O 3.31Å; W141-V169 WeakPolarHBondContact CA-O 3.45Å; W141-C170 HydrophobicContact CD2-CB 3.66Å; W141-C170 HydrophobicContact CE3-CB 3.63Å; W141-C170 HydrophobicContact CG-CB 4.41Å; W141-C170 HydrophobicContact CH2-CB 3.72Å; W141-C170 HydrophobicContact CZ2-CB 3.77Å; W141-C170 HydrophobicContact CZ3-CB 3.63Å |
| 142 | R | 79.1 | Confident | 72.8 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 22% | 0.219 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.1 | 172.8 | -66.8 | 174.9 | -178.2 | -97 | -1.6 | 111.1 | G146 T147 Y168 V169 | R142-G146 WeakPolarHBondContact CD-O 3.45Å; R142-G146 PolarHBondContact NH1-O 3.18Å; R142-T147 CarbonylContact C-O 3.58Å; R142-T147 WeakPolarHBondContact CA-O 2.98Å; R142-Y168 CarbonylContact O-C 3.52Å; R142-Y168 WeakPolarHBondContact O-CA 3.3Å; R142-V169 PolarHBondContact N-O 2.79Å; R142-V169 PolarHBondContact O-N 3.23Å |
| 143 | N | 72 | Confident | 73.4 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | trans | -89.1 | -178.9 | 175.8 | 74.3 | -7.5 | 0 | 0 | 0 | 111.9 | Q31 N145 G146 T147 V149 I167 Y168 | Q31-N143 PolarHBondContact NE2-O 3.11Å; N143-N145 PolarHBondContact O-N 2.72Å; N143-N145 VanDerWaalsContact O-N 3.07Å; N143-N145 PolarHBondContact OD1-N 2.03Å; N143-G146 PolarHBondContact O-N 3.48Å; N143-G146 PolarHBondContact OD1-N 3.1Å; N143-T147 PolarHBondContact N-O 2.89Å; N143-T147 PolarHBondContact ND2-OG1 3.29Å; N143-T147 PolarHBondContact OD1-N 2.87Å; N143-T147 VanDerWaalsContact OD1-N 3.08Å; N143-T147 PolarHBondContact OD1-O 3.22Å; N143-T147 PolarHBondContact OD1-OG1 2.61Å; N143-V149 HydrophobicContact CB-CG1 3.77Å; N143-V149 HydrophobicContact CB-CG2 4.14Å; N143-I167 CarbonylContact C-O 3.56Å; N143-Y168 HydrophobicContact CB-CD1 4.06Å; N143-Y168 HydrophobicContact CB-CE1 3.77Å | ||
| 144 | P | 68.7 | Low | 73.6 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.6 | -179.1 | -27.2 | 36.7 | 0 | 0 | 0 | 114.8 | N32 G146 I167 Y168 | N32-P144 PolarHBondContact N-O 2.75Å; P144-G146 VanDerWaalsContact C-N 3.35Å; P144-I167 WeakPolarHBondContact CA-O 3.43Å; P144-Y168 HydrophobicContact CG-CD2 4.12Å; P144-Y168 HydrophobicContact CG-CE2 3.83Å |
| 145 | N | 59.4 | Low | 74.3 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 54% | 0.54 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 16.5 | 177.3 | -61.2 | -29.2 | 0 | 0 | 0 | 112.9 | N32 N143 T147 | N32-N145 PolarHBondContact ND2-OD1 2.04Å; N143-N145 PolarHBondContact O-N 2.72Å; N143-N145 VanDerWaalsContact O-N 3.07Å; N143-N145 PolarHBondContact OD1-N 2.03Å; N145-T147 PolarHBondContact O-N 2.99Å; N145-T147 VanDerWaalsContact O-N 3.09Å |
| 146 | G | 62.5 | Low | 74.4 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 73.2 | -4.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R142 N143 P144 | R142-G146 WeakPolarHBondContact CD-O 3.45Å; R142-G146 PolarHBondContact NH1-O 3.18Å; N143-G146 PolarHBondContact O-N 3.48Å; N143-G146 PolarHBondContact OD1-N 3.1Å; P144-G146 VanDerWaalsContact C-N 3.35Å |
| 147 | T | 64.5 | Low | 74.3 | Confident | 78 Ų | 78 | 61 Ų | 61 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | trans | -76.7 | 143.6 | -178.9 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | R142 N143 N145 V149 | R142-T147 CarbonylContact C-O 3.58Å; R142-T147 WeakPolarHBondContact CA-O 2.98Å; N143-T147 PolarHBondContact N-O 2.89Å; N143-T147 PolarHBondContact ND2-OG1 3.29Å; N143-T147 PolarHBondContact OD1-N 2.87Å; N143-T147 VanDerWaalsContact OD1-N 3.08Å; N143-T147 PolarHBondContact OD1-O 3.22Å; N143-T147 PolarHBondContact OD1-OG1 2.61Å; N145-T147 PolarHBondContact O-N 2.99Å; N145-T147 VanDerWaalsContact O-N 3.09Å; T147-V149 PolarHBondContact O-N 2.71Å | ||
| 148 | L | 72 | Confident | 73.4 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 45% | 0.445 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.3 | -179.3 | -172.9 | 82.3 | 0 | 0 | 0 | 110.3 | E140 W141 T151 | E140-L148 HydrophobicContact CB-CD1 3.74Å; E140-L148 HydrophobicContact CG-CD1 4.19Å; W141-L148 CarbonylContact O-C 3.58Å; W141-L148 WeakPolarHBondContact O-CA 3.49Å; W141-L148 WeakPolarHBondContact O-CD1 2.95Å; L148-T151 HydrophobicContact CD2-CG2 4.03Å |
| 149 | V | 73.7 | Confident | 72.4 | Confident | 63 Ų | 63 | 60 Ų | 60 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -9 | -178.8 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | W141 N143 T147 L155 Y168 | W141-V149 HydrophobicContact CB-CG2 4.21Å; W141-V149 PolarHBondContact O-N 3.31Å; N143-V149 HydrophobicContact CB-CG1 3.77Å; N143-V149 HydrophobicContact CB-CG2 4.14Å; T147-V149 PolarHBondContact O-N 2.71Å; V149-L155 HydrophobicContact CG2-CD1 4.13Å; V149-L155 HydrophobicContact CG2-CD2 3.8Å; V149-Y168 HydrophobicContact CG2-CD1 4.39Å |
| 150 | G | 77.2 | Confident | 71.7 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 163 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W141 | W141-G150 PolarHBondContact N-O 2.99Å; W141-G150 PolarHBondContact O-N 3.5Å |
| 151 | T | 79.3 | Confident | 71.1 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | trans | -134.7 | 11.1 | -178.5 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | Y139 L148 | Y139-T151 CarbonylContact O-C 3.53Å; Y139-T151 VanDerWaalsContact O-CA 3.25Å; Y139-T151 WeakPolarHBondContact O-CA 3.33Å; L148-T151 HydrophobicContact CD2-CG2 4.03Å | ||
| 152 | Q | 78 | Confident | 69.9 | Low | 117 Ų | 117 | 63.3 Ų | 63.3 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -99.7 | 166.9 | 175.3 | -64.4 | -171.9 | -2.4 | 0 | 0 | 111 | Y139 W141 K154 | Y139-Q152 WeakPolarHBondContact CB-O 3.1Å; W141-Q152 PolarHBondContact NE1-O 2.73Å; Q152-K154 PolarHBondContact O-N 3.47Å |
| 153 | W | 76.3 | Confident | 69.2 | Low | 140 Ų | 140 | 68.4 Ų | 68.4 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -66.7 | -12.9 | 174.9 | 64.4 | -89 | 0 | 0 | 0 | 113.7 | L122 C123 Y139 | L122-W153 HydrophobicContact CD1-CZ3 4.22Å; L122-W153 HydrophobicContact CD2-CE3 4.15Å; L122-W153 HydrophobicContact CD2-CH2 4.43Å; L122-W153 HydrophobicContact CD2-CZ3 3.66Å; L122-W153 HydrophobicContact CG-CZ3 4.43Å; C123-W153 WeakPolarHBondContact CB-O 3.49Å; C123-W153 PolarHBondContact N-O 3.26Å; Y139-W153 HydrophobicContact CD1-CB 3.91Å; Y139-W153 HydrophobicContact CD2-CB 4.01Å; Y139-W153 HydrophobicContact CE1-CB 3.68Å; Y139-W153 HydrophobicContact CE2-CB 3.79Å; Y139-W153 HydrophobicContact CG-CB 4.07Å |
| 154 | K | 71.5 | Confident | 69.1 | Low | 71 Ų | 71 | 70.3 Ų | 70.3 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 154.3 | 170.3 | 65 | 175.1 | -174 | 168.8 | 0 | 110.8 | I121 L122 Q152 E156 | I121-K154 WeakPolarHBondContact O-CA 3.39Å; L122-K154 HydrophobicContact CD2-CB 3.6Å; Q152-K154 PolarHBondContact O-N 3.47Å; K154-E156 HydrophobicContact CD-CG 4.38Å; K154-E156 WeakPolarHBondContact CD-OE1 3.07Å; K154-E156 VanDerWaalsContact CE-OE1 3.28Å; K154-E156 WeakPolarHBondContact CE-OE1 3.37Å; K154-E156 IonicContact NZ-OE1 3.93Å; K154-E156 PolarHBondContact NZ-OE1 2.69Å |
| 155 | L | 81.5 | Confident | 69 | Low | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.8 | 163.2 | -176 | 76.2 | 0 | 0 | 0 | 107.8 | I121 W141 V149 L157 Y168 | I121-L155 HydrophobicContact CD1-CB 4.21Å; I121-L155 HydrophobicContact CD1-CD2 3.87Å; I121-L155 HydrophobicContact CG1-CB 3.73Å; I121-L155 HydrophobicContact CG1-CD2 4.28Å; I121-L155 HydrophobicContact CG1-CG 4.49Å; I121-L155 PolarHBondContact N-O 2.9Å; I121-L155 PolarHBondContact O-N 2.74Å; W141-L155 HydrophobicContact CB-CD1 4.3Å; W141-L155 HydrophobicContact CB-CD2 4.26Å; W141-L155 HydrophobicContact CD2-CB 3.78Å; W141-L155 HydrophobicContact CD2-CD2 4.35Å; W141-L155 HydrophobicContact CE3-CB 4.38Å; W141-L155 HydrophobicContact CE3-CD2 4.39Å; W141-L155 HydrophobicContact CG-CB 3.87Å; W141-L155 HydrophobicContact CG-CD1 4.41Å; W141-L155 HydrophobicContact CG-CD2 4.33Å; W141-L155 HydrophobicContact CG-CG 4.45Å; W141-L155 HydrophobicContact CZ2-CB 4.37Å; V149-L155 HydrophobicContact CG2-CD1 4.13Å; V149-L155 HydrophobicContact CG2-CD2 3.8Å; L155-L157 HydrophobicContact CD2-CD1 4.38Å; L155-L157 HydrophobicContact CD2-CD2 3.94Å; L155-L157 HydrophobicContact CD2-CG 4.18Å; L155-L157 HydrophobicContact CG-CD2 4.19Å; L155-L157 HydrophobicContact CG-CG 4.37Å; L155-Y168 HydrophobicContact CD2-CD1 3.85Å; L155-Y168 HydrophobicContact CD2-CE1 4.27Å |
| 156 | E | 72.3 | Confident | 69.5 | Low | 67 Ų | 67 | 68.3 Ų | 68.3 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.8 | 176.1 | -52.8 | -161.3 | -164 | 0 | 0 | 109 | L118 V119 R120 K154 | L118-E156 HydrophobicContact CD1-CB 4.22Å; V119-E156 CarbonylContact O-C 3.45Å; V119-E156 WeakPolarHBondContact O-CA 3.28Å; R120-E156 HydrophobicContact CG-CG 3.97Å; R120-E156 IonicContact CZ-OE2 2.63Å; R120-E156 IonicContact NE-OE1 2.68Å; R120-E156 PolarHBondContact NE-OE1 2.76Å; R120-E156 IonicContact NE-OE2 3.65Å; R120-E156 PolarHBondContact NE-OE2 3.48Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 2.75Å; R120-E156 VanDerWaalsContact NH2-OE2 3.07Å; K154-E156 HydrophobicContact CD-CG 4.38Å; K154-E156 WeakPolarHBondContact CD-OE1 3.07Å; K154-E156 VanDerWaalsContact CE-OE1 3.28Å; K154-E156 WeakPolarHBondContact CE-OE1 3.37Å; K154-E156 IonicContact NZ-OE1 3.93Å; K154-E156 PolarHBondContact NZ-OE1 2.69Å |
| 157 | L | 72.1 | Confident | 70.2 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 98.5 | -178.7 | -60.7 | 172.6 | 0 | 0 | 0 | 108.2 | L118 V119 L155 I160 Y168 I189 | L118-L157 WeakPolarHBondContact CA-O 3.4Å; V119-L157 HydrophobicContact CB-CB 4.17Å; V119-L157 HydrophobicContact CG2-CB 4.26Å; V119-L157 PolarHBondContact N-O 3.19Å; V119-L157 PolarHBondContact O-N 3.4Å; L155-L157 HydrophobicContact CD2-CD1 4.38Å; L155-L157 HydrophobicContact CD2-CD2 3.94Å; L155-L157 HydrophobicContact CD2-CG 4.18Å; L155-L157 HydrophobicContact CG-CD2 4.19Å; L155-L157 HydrophobicContact CG-CG 4.37Å; L157-I160 HydrophobicContact CB-CD1 4.3Å; L157-I160 HydrophobicContact CD1-CD1 3.82Å; L157-Y168 HydrophobicContact CD1-CD1 4.19Å; L157-Y168 HydrophobicContact CD1-CE1 3.64Å; L157-Y168 HydrophobicContact CD1-CE2 4.21Å; L157-Y168 HydrophobicContact CD2-CE1 4.07Å; L157-I189 HydrophobicContact CD1-CD1 3.56Å |
| 158 | G | 57.6 | Low | 71.2 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 133.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I160 | G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 3.47Å |
| 159 | H | 59.7 | Low | 71.6 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 64% | 0.644 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 39.5 | 177 | -54.9 | -50.1 | 0 | 0 | 0 | 115.4 | G116 | G116-H159 PolarHBondContact O-ND1 2.82Š|
| 160 | I | 68.9 | Low | 72 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -53.4 | 141.1 | -175.4 | -156.5 | 176.1 | 0 | 0 | 0 | 112.5 | E115 G116 V119 L157 G158 E164 I189 V191 | E115-I160 WeakPolarHBondContact CG-O 3.29Å; G116-I160 PolarHBondContact N-O 2.81Å; V119-I160 HydrophobicContact CG2-CB 4Å; V119-I160 HydrophobicContact CG2-CD1 3.83Å; V119-I160 HydrophobicContact CG2-CG2 3.61Å; L157-I160 HydrophobicContact CB-CD1 4.3Å; L157-I160 HydrophobicContact CD1-CD1 3.82Å; G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 3.47Å; I160-E164 WeakPolarHBondContact CA-OE2 3.43Å; I160-E164 HydrophobicContact CG1-CB 4.17Å; I160-E164 WeakPolarHBondContact CG1-OE2 3.03Å; I160-I189 HydrophobicContact CD1-CD1 4.24Å; I160-I189 HydrophobicContact CD1-CG2 3.82Å; I160-V191 HydrophobicContact CB-CG2 4.46Å; I160-V191 HydrophobicContact CD1-CG2 3.68Å; I160-V191 HydrophobicContact CG1-CG2 3.82Å; I160-V191 HydrophobicContact CG2-CG1 4.1Å; I160-V191 HydrophobicContact CG2-CG2 3.94Å | ||
| 161 | K | 65.3 | Low | 72.2 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | trans | -112 | 153.6 | -174.7 | -64.7 | -54.5 | -165.6 | 179.4 | 0 | 113.6 | E115 H163 E164 | E115-K161 HydrophobicContact CG-CD 3.85Å; E115-K161 WeakPolarHBondContact OE1-CD 3.34Å; E115-K161 WeakPolarHBondContact OE1-CE 3.49Å; E115-K161 IonicContact OE1-NZ 3.66Å; E115-K161 PolarHBondContact OE1-NZ 2.88Å; K161-H163 PolarHBondContact O-N 2.93Å; K161-H163 VanDerWaalsContact O-N 3.09Å; K161-E164 HydrophobicContact CB-CG 4.3Å; K161-E164 PolarHBondContact N-OE2 3.47Å; K161-E164 WeakPolarHBondContact O-CB 3.39Å; K161-E164 PolarHBondContact O-N 3.03Å | ||
| 162 | V | 56.5 | Low | 72.1 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -51.3 | -37.9 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | E164 S165 V191 | V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.99Å; V162-S165 WeakPolarHBondContact O-CB 3.02Å; V162-S165 PolarHBondContact O-N 3.01Å; V162-S165 PolarHBondContact O-OG 3.03Å; V162-V191 HydrophobicContact CG2-CG1 4.33Å |
| 163 | H | 64.8 | Low | 72.2 | Confident | 164 Ų | 164 | 51.3 Ų | 51.3 | 76% | 0.759 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -77.2 | -6.6 | 179.6 | 70.5 | -98.6 | 0 | 0 | 0 | 115.1 | K161 | K161-H163 PolarHBondContact O-N 2.93Å; K161-H163 VanDerWaalsContact O-N 3.09Å |
| 164 | E | 68.9 | Low | 72.3 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -91.7 | -2.4 | 174.5 | -59.5 | -177.1 | 104.8 | 0 | 0 | 112.7 | I160 K161 V162 Y168 | I160-E164 WeakPolarHBondContact CA-OE2 3.43Å; I160-E164 HydrophobicContact CG1-CB 4.17Å; I160-E164 WeakPolarHBondContact CG1-OE2 3.03Å; K161-E164 HydrophobicContact CB-CG 4.3Å; K161-E164 PolarHBondContact N-OE2 3.47Å; K161-E164 WeakPolarHBondContact O-CB 3.39Å; K161-E164 PolarHBondContact O-N 3.03Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.99Å; E164-Y168 PolarHBondContact O-OH 2.04Å |
| 165 | S | 67.1 | Low | 72.1 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | trans | -59.1 | 142.2 | 179.7 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | V162 I189 | V162-S165 WeakPolarHBondContact O-CB 3.02Å; V162-S165 PolarHBondContact O-N 3.01Å; V162-S165 PolarHBondContact O-OG 3.03Å; S165-I189 CarbonylContact C-O 3.54Å; S165-I189 WeakPolarHBondContact CA-O 3.27Å | ||
| 166 | G | 70.9 | Confident | 71.3 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | -165.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K188 I189 | G166-K188 CarbonylContact O-C 3.6Å; G166-K188 WeakPolarHBondContact O-CA 3.4Å; G166-I189 PolarHBondContact N-O 2.9Å; G166-I189 PolarHBondContact O-N 3.29Å |
| 167 | I | 77.2 | Confident | 71.2 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 109.4 | -174.3 | -65 | 164.8 | 0 | 0 | 0 | 111.4 | N143 P144 V169 A186 K188 | N143-I167 CarbonylContact C-O 3.56Å; P144-I167 WeakPolarHBondContact CA-O 3.43Å; I167-V169 HydrophobicContact CG2-CG2 3.8Å; I167-A186 HydrophobicContact CG2-CB 4.05Å; I167-K188 HydrophobicContact CG1-CB 3.91Å; I167-K188 HydrophobicContact CG1-CD 4.39Å; I167-K188 HydrophobicContact CG1-CG 3.95Å |
| 168 | Y | 84.5 | Confident | 70.8 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 147.4 | 165.3 | -68.2 | -108 | 0 | 0 | 0 | 109.2 | I121 R142 N143 P144 V149 L155 L157 E164 A186 T187 I189 | I121-Y168 HydrophobicContact CD1-CG 4.31Å; R142-Y168 CarbonylContact O-C 3.52Å; R142-Y168 WeakPolarHBondContact O-CA 3.3Å; N143-Y168 HydrophobicContact CB-CD1 4.06Å; N143-Y168 HydrophobicContact CB-CE1 3.77Å; P144-Y168 HydrophobicContact CG-CD2 4.12Å; P144-Y168 HydrophobicContact CG-CE2 3.83Å; V149-Y168 HydrophobicContact CG2-CD1 4.39Å; L155-Y168 HydrophobicContact CD2-CD1 3.85Å; L155-Y168 HydrophobicContact CD2-CE1 4.27Å; L157-Y168 HydrophobicContact CD1-CD1 4.19Å; L157-Y168 HydrophobicContact CD1-CE1 3.64Å; L157-Y168 HydrophobicContact CD1-CE2 4.21Å; L157-Y168 HydrophobicContact CD2-CE1 4.07Å; E164-Y168 PolarHBondContact O-OH 2.04Å; Y168-A186 CarbonylContact O-C 3.56Å; Y168-A186 VanDerWaalsContact O-CA 3.31Å; Y168-A186 WeakPolarHBondContact O-CA 3.18Å; Y168-T187 PolarHBondContact N-O 3.34Å; Y168-T187 PolarHBondContact O-N 3.03Å; Y168-I189 HydrophobicContact CD2-CB 4.42Å; Y168-I189 HydrophobicContact CD2-CD1 3.82Å; Y168-I189 HydrophobicContact CD2-CG1 4.15Å; Y168-I189 HydrophobicContact CE2-CB 4.44Å; Y168-I189 HydrophobicContact CE2-CD1 3.99Å; Y168-I189 HydrophobicContact CG-CD1 4.37Å |
| 169 | V | 79.5 | Confident | 70.7 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 122.7 | -177.8 | -168 | 0 | 0 | 0 | 0 | 111.8 | Y28 Q31 W141 R142 I167 S185 A186 | Y28-V169 HydrophobicContact CD1-CG1 4.12Å; Y28-V169 HydrophobicContact CD2-CB 4.07Å; Y28-V169 HydrophobicContact CD2-CG1 3.62Å; Y28-V169 HydrophobicContact CD2-CG2 4.09Å; Y28-V169 HydrophobicContact CE1-CG1 4.27Å; Y28-V169 HydrophobicContact CE2-CG1 3.77Å; Y28-V169 HydrophobicContact CG-CB 4.4Å; Y28-V169 HydrophobicContact CG-CG1 3.8Å; Y28-V169 HydrophobicContact CG-CG2 4.07Å; Q31-V169 HydrophobicContact CG-CG2 4.42Å; W141-V169 CarbonylContact C-O 3.55Å; W141-V169 VanDerWaalsContact CA-O 3.31Å; W141-V169 WeakPolarHBondContact CA-O 3.45Å; R142-V169 PolarHBondContact N-O 2.79Å; R142-V169 PolarHBondContact O-N 3.23Å; I167-V169 HydrophobicContact CG2-CG2 3.8Å; V169-S185 WeakPolarHBondContact CG1-O 3.21Å; V169-A186 HydrophobicContact CB-CB 4.45Å; V169-A186 HydrophobicContact CG1-CB 4.24Å; V169-A186 HydrophobicContact CG2-CB 3.97Å |
| 170 | C | 83.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.4 | 165.9 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | C123 E140 W141 S184 S185 | C123-C170 HydrophobicContact CB-CB 3.74Å; C123-C170 WeakPolarHBondContact CB-SG 3.34Å; C123-C170 WeakPolarHBondContact SG-CB 3.38Å; C123-C170 CovalentContact SG-SG 2.02Å; C123-C170 PolarHBondContact SG-SG 2.63Å; E140-C170 CarbonylContact O-C 3.37Å; E140-C170 WeakPolarHBondContact O-CA 3.39Å; W141-C170 HydrophobicContact CD2-CB 3.66Å; W141-C170 HydrophobicContact CE3-CB 3.63Å; W141-C170 HydrophobicContact CG-CB 4.41Å; W141-C170 HydrophobicContact CH2-CB 3.72Å; W141-C170 HydrophobicContact CZ2-CB 3.77Å; W141-C170 HydrophobicContact CZ3-CB 3.63Å; C170-S184 CarbonylContact O-C 3.45Å; C170-S184 WeakPolarHBondContact O-CA 3.27Å; C170-S184 WeakPolarHBondContact O-CB 3.5Å; C170-S185 PolarHBondContact N-O 3.34Å; C170-S185 PolarHBondContact O-N 3.38Å |
| 171 | R | 81 | Confident | 70.4 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.8 | 165 | -173.8 | -176.7 | -179.9 | -156.3 | -1.6 | 109.8 | Y139 E140 S182 | Y139-R171 CarbonylContact C-O 3.47Å; Y139-R171 WeakPolarHBondContact CA-O 3.38Å; E140-R171 HydrophobicContact CB-CB 4.49Å; E140-R171 PolarHBondContact N-O 2.99Å; E140-R171 PolarHBondContact O-N 3.26Å; R171-S182 PolarHBondContact NE-OG 2.64Å; R171-S182 PolarHBondContact NH2-OG 3.39Å |
| 172 | V | 78 | Confident | 70.5 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.8 | 169.3 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | C123 V125 F137 R138 Y139 S182 T183 | C123-V172 WeakPolarHBondContact SG-CG2 3.33Å; V125-V172 HydrophobicContact CB-CG2 3.92Å; V125-V172 HydrophobicContact CG1-CB 4.42Å; V125-V172 HydrophobicContact CG1-CG2 4.13Å; V125-V172 HydrophobicContact CG2-CG2 3.74Å; F137-V172 HydrophobicContact CB-CG1 3.85Å; F137-V172 HydrophobicContact CD1-CG1 3.44Å; F137-V172 VanDerWaalsContact CD1-CG1 3.44Å; F137-V172 HydrophobicContact CE1-CG1 4.09Å; F137-V172 HydrophobicContact CG-CG1 3.78Å; R138-V172 CarbonylContact O-C 3.45Å; R138-V172 WeakPolarHBondContact O-CA 3.05Å; Y139-V172 HydrophobicContact CD1-CG1 4.45Å; Y139-V172 HydrophobicContact CD1-CG2 3.73Å; Y139-V172 HydrophobicContact CE1-CG1 4.16Å; Y139-V172 HydrophobicContact CE1-CG2 3.75Å; V172-S182 CarbonylContact O-C 3.52Å; V172-S182 WeakPolarHBondContact O-CA 3.31Å; V172-S182 WeakPolarHBondContact O-CB 3.48Å; V172-T183 PolarHBondContact N-O 3.02Å; V172-T183 PolarHBondContact O-N 3.39Å |
| 173 | S | 79.6 | Confident | 71.3 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144.1 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | F137 R138 M181 | F137-S173 CarbonylContact C-O 3.49Å; F137-S173 WeakPolarHBondContact CA-O 3.41Å; R138-S173 PolarHBondContact N-O 3.03Å; R138-S173 PolarHBondContact O-N 3.27Å; R138-S173 PolarHBondContact O-OG 2.97Å; S173-M181 CarbonylContact C-O 3.54Å; S173-M181 WeakPolarHBondContact CA-O 3.49Å |
| 174 | Y | 77.4 | Confident | 71.8 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 154.7 | 176.5 | 58 | -87.3 | 0 | 0 | 0 | 110.5 | E129 K130 A134 F137 F176 Q180 M181 | E129-Y174 PolarHBondContact O-OH 2.99Å; K130-Y174 HydrophobicContact CG-CD2 4.42Å; K130-Y174 HydrophobicContact CG-CE2 4.24Å; A134-Y174 HydrophobicContact CB-CD2 3.73Å; A134-Y174 HydrophobicContact CB-CE2 4.05Å; F137-Y174 AromaticContact CD1-CD1 3.7Å; F137-Y174 HydrophobicContact CD1-CD1 3.7Å; F137-Y174 HydrophobicContact CD1-CG 4.16Å; F137-Y174 AromaticContact CE1-CD1 3.49Å; F137-Y174 HydrophobicContact CE1-CD1 3.49Å; F137-Y174 VanDerWaalsContact CE1-CD1 3.49Å; F137-Y174 AromaticContact CE1-CE1 3.89Å; F137-Y174 HydrophobicContact CE1-CE1 3.89Å; F137-Y174 HydrophobicContact CE1-CG 4.11Å; Y174-F176 HydrophobicContact CD2-CB 4.34Å; Y174-F176 HydrophobicContact CE2-CB 4.34Å; Y174-Q180 CarbonylContact O-C 3.38Å; Y174-Q180 WeakPolarHBondContact O-CA 3.33Å; Y174-M181 HydrophobicContact CD1-CB 4.33Å; Y174-M181 HydrophobicContact CD2-CB 3.99Å; Y174-M181 HydrophobicContact CE1-CB 3.94Å; Y174-M181 HydrophobicContact CE2-CB 3.58Å; Y174-M181 HydrophobicContact CE2-CE 4.31Å; Y174-M181 HydrophobicContact CE2-CG 4.08Å; Y174-M181 HydrophobicContact CE2-SD 3.62Å; Y174-M181 HydrophobicContact CG-CB 4.38Å; Y174-M181 PolarHBondContact N-O 3.48Å; Y174-M181 PolarHBondContact O-N 2.05Å; Y174-M181 VanDerWaalsContact OH-CE 3.32Å; Y174-M181 WeakPolarHBondContact OH-CE 3.27Å |
| 175 | E | 68.7 | Low | 71.9 | Confident | 106 Ų | 106 | 55.6 Ų | 55.6 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.4 | 178.6 | -167.2 | 174.8 | 165.4 | 0 | 0 | 110.4 | G135 K178 R179 | G135-E175 PolarHBondContact N-O 3.1Å; E175-K178 WeakPolarHBondContact OE1-CA 3.44Å; E175-R179 WeakPolarHBondContact CA-O 3.05Å |
| 176 | F | 63.5 | Low | 72.4 | Confident | 72 Ų | 72 | 53 Ų | 53 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.3 | 174 | -178.1 | -115.7 | 0 | 0 | 0 | 109.3 | P131 D132 A134 Y174 K178 R179 M181 | P131-F176 HydrophobicContact CB-CD1 4.28Å; P131-F176 HydrophobicContact CB-CD2 4.11Å; P131-F176 HydrophobicContact CB-CE1 3.9Å; P131-F176 HydrophobicContact CB-CE2 3.72Å; P131-F176 HydrophobicContact CB-CG 4.38Å; P131-F176 HydrophobicContact CB-CZ 3.6Å; P131-F176 HydrophobicContact CG-CD1 3.91Å; P131-F176 HydrophobicContact CG-CD2 4.4Å; P131-F176 HydrophobicContact CG-CE1 3.88Å; P131-F176 HydrophobicContact CG-CE2 4.38Å; P131-F176 HydrophobicContact CG-CG 4.18Å; P131-F176 HydrophobicContact CG-CZ 4.12Å; D132-F176 WeakPolarHBondContact O-CE2 3.33Å; A134-F176 HydrophobicContact CB-CB 3.95Å; A134-F176 HydrophobicContact CB-CD2 3.82Å; A134-F176 HydrophobicContact CB-CG 4.22Å; Y174-F176 HydrophobicContact CD2-CB 4.34Å; Y174-F176 HydrophobicContact CE2-CB 4.34Å; F176-K178 VanDerWaalsContact C-N 3.26Å; F176-K178 PolarHBondContact O-N 2.76Å; F176-R179 PolarHBondContact N-O 3.26Å; F176-R179 WeakPolarHBondContact O-CB 3.44Å; F176-R179 PolarHBondContact O-N 2.96Å; F176-M181 HydrophobicContact CB-SD 4.01Å; F176-M181 HydrophobicContact CD1-SD 4.11Å; F176-M181 HydrophobicContact CG-SD 4.45Å |
| 177 | D | 70.7 | Confident | 72.8 | Confident | 135 Ų | 135 | 52.4 Ų | 52.4 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 40.2 | 50.5 | -171.2 | -165.2 | 29.1 | 0 | 0 | 0 | 114.1 | R179 | D177-R179 PolarHBondContact O-N 2.01Å; D177-R179 VanDerWaalsContact O-N 3.08Å |
| 178 | K | 63.5 | Low | 72.8 | Confident | 184 Ų | 184 | 55 Ų | 55 | 80% | 0.8 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16.6 | -178.4 | -55.5 | 176.8 | -176.5 | 172.8 | 0 | 115.4 | E175 F176 | E175-K178 WeakPolarHBondContact OE1-CA 3.44Å; F176-K178 VanDerWaalsContact C-N 3.26Å; F176-K178 PolarHBondContact O-N 2.76Å |
| 179 | R | 56.2 | Low | 72.4 | Confident | 193 Ų | 193 | 54.6 Ų | 54.6 | 73% | 0.728 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.8 | 169.1 | -63.9 | -178.4 | 172.6 | -159.9 | -3.1 | 109.1 | E175 F176 D177 M181 | E175-R179 WeakPolarHBondContact CA-O 3.05Å; F176-R179 PolarHBondContact N-O 3.26Å; F176-R179 WeakPolarHBondContact O-CB 3.44Å; F176-R179 PolarHBondContact O-N 2.96Å; D177-R179 PolarHBondContact O-N 2.01Å; D177-R179 VanDerWaalsContact O-N 3.08Å; R179-M181 PolarHBondContact O-N 2.86Å |
| 180 | Q | 61.7 | Low | 71.7 | Confident | 148 Ų | 148 | 56.5 Ų | 56.5 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 107.9 | 166.5 | -72.6 | -175 | -14.5 | 0 | 0 | 108.9 | Y174 | Y174-Q180 CarbonylContact O-C 3.38Å; Y174-Q180 WeakPolarHBondContact O-CA 3.33Å |
| 181 | M | 61 | Low | 70.9 | Confident | 70 Ų | 70 | 57 Ų | 57 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 143 | 162.8 | -66.2 | -179.1 | 70.4 | 0 | 0 | 107.8 | S173 Y174 F176 R179 | S173-M181 CarbonylContact C-O 3.54Å; S173-M181 WeakPolarHBondContact CA-O 3.49Å; Y174-M181 HydrophobicContact CD1-CB 4.33Å; Y174-M181 HydrophobicContact CD2-CB 3.99Å; Y174-M181 HydrophobicContact CE1-CB 3.94Å; Y174-M181 HydrophobicContact CE2-CB 3.58Å; Y174-M181 HydrophobicContact CE2-CE 4.31Å; Y174-M181 HydrophobicContact CE2-CG 4.08Å; Y174-M181 HydrophobicContact CE2-SD 3.62Å; Y174-M181 HydrophobicContact CG-CB 4.38Å; Y174-M181 PolarHBondContact N-O 3.48Å; Y174-M181 PolarHBondContact O-N 2.05Å; Y174-M181 VanDerWaalsContact OH-CE 3.32Å; Y174-M181 WeakPolarHBondContact OH-CE 3.27Å; F176-M181 HydrophobicContact CB-SD 4.01Å; F176-M181 HydrophobicContact CD1-SD 4.11Å; F176-M181 HydrophobicContact CG-SD 4.45Å; R179-M181 PolarHBondContact O-N 2.86Å |
| 182 | S | 67 | Low | 69.8 | Low | 34 Ų | 34 | 56.6 Ų | 56.6 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 131.9 | 175.5 | 70.3 | 0 | 0 | 0 | 0 | 111.9 | R171 V172 | R171-S182 PolarHBondContact NE-OG 2.64Å; R171-S182 PolarHBondContact NH2-OG 3.39Å; V172-S182 CarbonylContact O-C 3.52Å; V172-S182 WeakPolarHBondContact O-CA 3.31Å; V172-S182 WeakPolarHBondContact O-CB 3.48Å |
| 183 | T | 72.5 | Confident | 68.7 | Low | 26 Ų | 26 | 60.6 Ų | 60.6 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 165.5 | 176.9 | 158.9 | 0 | 0 | 0 | 0 | 108.2 | D106 V125 V172 | D106-T183 VanDerWaalsContact OD2-CA 3.24Å; D106-T183 WeakPolarHBondContact OD2-CA 3.33Å; D106-T183 VanDerWaalsContact OD2-CB 3.26Å; D106-T183 WeakPolarHBondContact OD2-CB 3.1Å; D106-T183 PolarHBondContact OD2-OG1 3.3Å; V125-T183 HydrophobicContact CG1-CG2 3.46Å; V125-T183 VanDerWaalsContact CG1-CG2 3.46Å; V125-T183 WeakPolarHBondContact CG1-OG1 3.34Å; V172-T183 PolarHBondContact N-O 3.02Å; V172-T183 PolarHBondContact O-N 3.39Å |
| 184 | S | 75.3 | Confident | 67.7 | Low | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 133.8 | -167.2 | 37.8 | 0 | 0 | 0 | 0 | 112.8 | Y28 D106 C170 | Y28-S184 VanDerWaalsContact CE1-OG 3.29Å; Y28-S184 WeakPolarHBondContact CE1-OG 3Å; Y28-S184 WeakPolarHBondContact OH-CB 3.1Å; Y28-S184 PolarHBondContact OH-OG 2.95Å; D106-S184 WeakPolarHBondContact CB-O 3.28Å; D106-S184 PolarHBondContact N-O 2.91Å; D106-S184 PolarHBondContact OD2-N 2.84Å; C170-S184 CarbonylContact O-C 3.45Å; C170-S184 WeakPolarHBondContact O-CA 3.27Å; C170-S184 WeakPolarHBondContact O-CB 3.5Å |
| 185 | S | 72.6 | Confident | 66.9 | Low | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.5 | 169.7 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | S107 V125 V169 C170 | S107-S185 WeakPolarHBondContact OG-CB 3.16Å; V125-S185 WeakPolarHBondContact CG2-OG 3.44Å; V169-S185 WeakPolarHBondContact CG1-O 3.21Å; C170-S185 PolarHBondContact N-O 3.34Å; C170-S185 PolarHBondContact O-N 3.38Å |
| 186 | A | 77.3 | Confident | 66.7 | Low | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 152.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A105 S107 I108 I109 I167 Y168 V169 | A105-A186 HydrophobicContact CB-CB 3.68Å; S107-A186 PolarHBondContact O-N 3.27Å; I108-A186 WeakPolarHBondContact CA-O 3.32Å; I108-A186 HydrophobicContact CB-CB 4.49Å; I108-A186 HydrophobicContact CG1-CB 4.2Å; I108-A186 HydrophobicContact CG2-CB 4.26Å; I109-A186 PolarHBondContact N-O 3.06Å; I167-A186 HydrophobicContact CG2-CB 4.05Å; Y168-A186 CarbonylContact O-C 3.56Å; Y168-A186 VanDerWaalsContact O-CA 3.31Å; Y168-A186 WeakPolarHBondContact O-CA 3.18Å; V169-A186 HydrophobicContact CB-CB 4.45Å; V169-A186 HydrophobicContact CG1-CB 4.24Å; V169-A186 HydrophobicContact CG2-CB 3.97Å |
| 187 | T | 78.4 | Confident | 67.3 | Low | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 111 | 169.8 | -42.8 | 0 | 0 | 0 | 0 | 109.1 | I109 Q111 I121 Y168 I189 | I109-T187 HydrophobicContact CB-CG2 4.43Å; I109-T187 HydrophobicContact CG2-CG2 4.45Å; I109-T187 CarbonylContact O-C 3.51Å; I109-T187 VanDerWaalsContact O-CA 3.25Å; I109-T187 WeakPolarHBondContact O-CA 3.39Å; Q111-T187 HydrophobicContact CB-CG2 4.25Å; Q111-T187 HydrophobicContact CG-CG2 4.04Å; I121-T187 HydrophobicContact CB-CG2 4.5Å; I121-T187 HydrophobicContact CG2-CG2 3.81Å; Y168-T187 PolarHBondContact N-O 3.34Å; Y168-T187 PolarHBondContact O-N 3.03Å; T187-I189 HydrophobicContact CG2-CG1 4.15Å; T187-I189 PolarHBondContact O-N 3Å |
| 188 | K | 77.4 | Confident | 67.4 | Low | 79 Ų | 79 | 54.8 Ų | 54.8 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 109 | 167.7 | -176 | 176.5 | -173.4 | -98.9 | 0 | 107.6 | I109 T110 Q111 G166 I167 N190 | I109-K188 PolarHBondContact O-N 2.81Å; T110-K188 CarbonylContact C-O 3.55Å; T110-K188 WeakPolarHBondContact CA-O 3.41Å; T110-K188 HydrophobicContact CG2-CB 4.3Å; T110-K188 HydrophobicContact CG2-CD 4.49Å; T110-K188 HydrophobicContact CG2-CG 4.45Å; Q111-K188 PolarHBondContact N-O 3Å; G166-K188 CarbonylContact O-C 3.6Å; G166-K188 WeakPolarHBondContact O-CA 3.4Å; I167-K188 HydrophobicContact CG1-CB 3.91Å; I167-K188 HydrophobicContact CG1-CD 4.39Å; I167-K188 HydrophobicContact CG1-CG 3.95Å; K188-N190 WeakPolarHBondContact CE-OD1 3.39Å; K188-N190 PolarHBondContact NZ-ND2 2.88Å; K188-N190 PolarHBondContact NZ-OD1 3.39Å |
| 189 | I | 75.8 | Confident | 68 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.6 | 173.8 | -56.3 | 173.6 | 0 | 0 | 0 | 108.1 | Q111 V113 V119 I121 L157 I160 S165 G166 Y168 T187 V191 | Q111-I189 VanDerWaalsContact O-CA 3.32Å; Q111-I189 WeakPolarHBondContact O-CA 3.15Å; V113-I189 HydrophobicContact CG2-CG2 4.19Å; V119-I189 HydrophobicContact CG1-CD1 4.11Å; I121-I189 HydrophobicContact CD1-CD1 4.27Å; I121-I189 HydrophobicContact CG2-CD1 3.99Å; I121-I189 HydrophobicContact CG2-CG1 4.48Å; L157-I189 HydrophobicContact CD1-CD1 3.56Å; I160-I189 HydrophobicContact CD1-CD1 4.24Å; I160-I189 HydrophobicContact CD1-CG2 3.82Å; S165-I189 CarbonylContact C-O 3.54Å; S165-I189 WeakPolarHBondContact CA-O 3.27Å; G166-I189 PolarHBondContact N-O 2.9Å; G166-I189 PolarHBondContact O-N 3.29Å; Y168-I189 HydrophobicContact CD2-CB 4.42Å; Y168-I189 HydrophobicContact CD2-CD1 3.82Å; Y168-I189 HydrophobicContact CD2-CG1 4.15Å; Y168-I189 HydrophobicContact CE2-CB 4.44Å; Y168-I189 HydrophobicContact CE2-CD1 3.99Å; Y168-I189 HydrophobicContact CG-CD1 4.37Å; T187-I189 HydrophobicContact CG2-CG1 4.15Å; T187-I189 PolarHBondContact O-N 3Å; I189-V191 HydrophobicContact CG2-CG2 3.95Å |
| 190 | N | 64.6 | Low | 68.5 | Low | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.5 | 166.8 | -47.8 | -52.5 | 0 | 0 | 0 | 106.8 | T110 Q111 D112 V113 K188 | T110-N190 VanDerWaalsContact CG2-ND2 3.29Å; T110-N190 WeakPolarHBondContact CG2-ND2 3.44Å; Q111-N190 PolarHBondContact O-N 2.63Å; D112-N190 WeakPolarHBondContact CA-O 3.13Å; D112-N190 WeakPolarHBondContact OD1-CB 3.38Å; D112-N190 PolarHBondContact OD1-ND2 2.92Å; V113-N190 PolarHBondContact N-O 3.17Å; K188-N190 WeakPolarHBondContact CE-OD1 3.39Å; K188-N190 PolarHBondContact NZ-ND2 2.88Å; K188-N190 PolarHBondContact NZ-OD1 3.39Å |
| 191 | V | 67.6 | Low | 68.5 | Low | 12 Ų | 12 | 36.6 Ų | 36.6 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.2 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | V113 E115 I160 V162 I189 | V113-V191 CarbonylContact O-C 3.56Å; V113-V191 VanDerWaalsContact O-CA 3.32Å; V113-V191 WeakPolarHBondContact O-CA 3.44Å; E115-V191 HydrophobicContact CB-CG1 4.25Å; I160-V191 HydrophobicContact CB-CG2 4.46Å; I160-V191 HydrophobicContact CD1-CG2 3.68Å; I160-V191 HydrophobicContact CG1-CG2 3.82Å; I160-V191 HydrophobicContact CG2-CG1 4.1Å; I160-V191 HydrophobicContact CG2-CG2 3.94Å; V162-V191 HydrophobicContact CG2-CG1 4.33Å; I189-V191 HydrophobicContact CG2-CG2 3.95Å |
| 192 | I | 57.1 | Low | 68.2 | Low | 55 Ų | 55 | 34.6 Ų | 34.6 | 28% | 0.282 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142.6 | 177.4 | -57 | -177.8 | 0 | 0 | 0 | 107.9 | D112 V113 E114 E115 A224 | D112-I192 HydrophobicContact CB-CD1 3.88Å; V113-I192 PolarHBondContact O-N 2.88Å; E114-I192 CarbonylContact C-O 3.59Å; E114-I192 WeakPolarHBondContact CA-O 3.39Å; E115-I192 PolarHBondContact N-O 3.39Å; I192-A224 HydrophobicContact CD1-CB 4.21Å |
| 193 | P | 55.9 | Low | 67 | Low | 86 Ų | 86 | 42.8 Ų | 42.8 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -51 | 148.3 | 167.7 | -27 | 35.9 | 0 | 0 | 0 | 112.1 | ||
| 194 | R | 57.9 | Low | 66 | Low | 116 Ų | 116 | 43.2 Ų | 43.2 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -54.9 | 142.1 | -179.7 | -178.6 | 179.5 | 173.3 | -149.8 | -4.5 | 111.7 | E115 | E115-R194 HydrophobicContact CB-CB 4.47Š|
| 195 | A | 61.1 | Low | 65.2 | Low | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 146.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | E114 V222 V275 | E114-A195 VanDerWaalsContact OE2-CB 3.29Å; E114-A195 WeakPolarHBondContact OE2-CB 3.09Å; E114-A195 PolarHBondContact OE2-N 3.17Å; A195-V222 VanDerWaalsContact CA-O 3.22Å; A195-V222 WeakPolarHBondContact CA-O 3.23Å; A195-V275 HydrophobicContact CB-CG1 4.13Å; A195-V275 WeakPolarHBondContact O-CG1 3.12Å |
| 196 | G | 64.8 | Low | 64.6 | Low | 14 Ų | 14 | 46 Ų | 46 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 170.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V221 V222 | G196-V221 CarbonylContact O-C 3.55Å; G196-V222 PolarHBondContact N-O 2.94Å; G196-V222 VanDerWaalsContact N-O 3.12Å; G196-V222 PolarHBondContact O-N 3.09Å |
| 197 | V | 74.6 | Confident | 64.1 | Low | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.5 | -178.1 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | F199 C219 Q220 V221 C263 A265 V275 N277 | V197-F199 HydrophobicContact CG1-CE1 4.17Å; V197-F199 HydrophobicContact CG1-CZ 4.35Å; V197-C219 WeakPolarHBondContact CG1-SG 3.47Å; V197-Q220 CarbonylContact C-O 3.56Å; V197-Q220 WeakPolarHBondContact CA-O 3.06Å; V197-V221 HydrophobicContact CG2-CG2 4Å; V197-C263 HydrophobicContact CG1-CB 4.3Å; V197-A265 HydrophobicContact CG2-CB 4.03Å; V197-V275 HydrophobicContact CG2-CG2 4.07Å; V197-N277 HydrophobicContact CB-CB 3.59Å; V197-N277 HydrophobicContact CG1-CB 3.74Å; V197-N277 WeakPolarHBondContact O-CB 3.35Å; V197-N277 PolarHBondContact O-ND2 2.85Å |
| 198 | I | 74 | Confident | 63.4 | Low | 72 Ų | 72 | 51.7 Ų | 51.7 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.3 | 176 | 66.1 | 170.5 | 0 | 0 | 0 | 112.2 | Q220 V222 | I198-Q220 HydrophobicContact CG1-CB 4.1Å; I198-Q220 PolarHBondContact N-O 2.76Å; I198-Q220 PolarHBondContact O-N 3.14Å; I198-V222 HydrophobicContact CB-CG2 4.41Å; I198-V222 HydrophobicContact CD1-CG2 3.63Å; I198-V222 HydrophobicContact CG1-CG2 3.82Å; I198-V222 HydrophobicContact CG2-CG2 3.76Å |
| 199 | F | 75.5 | Confident | 62.8 | Low | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | trans | -120.2 | 101 | 178.7 | -54 | -59.2 | 0 | 0 | 0 | 109.5 | V197 I202 Q217 C219 W233 C263 N277 L279 | V197-F199 HydrophobicContact CG1-CE1 4.17Å; V197-F199 HydrophobicContact CG1-CZ 4.35Å; F199-I202 HydrophobicContact CB-CD1 4.22Å; F199-Q217 HydrophobicContact CB-CG 4.21Å; F199-Q217 HydrophobicContact CD1-CG 4.38Å; F199-C219 HydrophobicContact CE1-CB 4.3Å; F199-W233 AromaticContact CD1-CH2 3.61Å; F199-W233 HydrophobicContact CD1-CH2 3.61Å; F199-W233 HydrophobicContact CD1-CZ2 4.12Å; F199-W233 AromaticContact CE1-CH2 3.28Å; F199-W233 HydrophobicContact CE1-CH2 3.28Å; F199-W233 AromaticContact CE1-CZ2 3.93Å; F199-W233 HydrophobicContact CE1-CZ2 3.93Å; F199-W233 AromaticContact CE1-CZ3 3.86Å; F199-W233 HydrophobicContact CE1-CZ3 3.86Å; F199-W233 HydrophobicContact CZ-CH2 4.16Å; F199-W233 HydrophobicContact CZ-CZ3 4.36Å; F199-C263 HydrophobicContact CE1-CB 4Å; F199-C263 HydrophobicContact CZ-CB 4.41Å; F199-N277 HydrophobicContact CE2-CB 4.15Å; F199-N277 WeakPolarHBondContact CE2-ND2 3.41Å; F199-N277 HydrophobicContact CZ-CB 4Å; F199-L279 HydrophobicContact CB-CD1 4.46Å; F199-L279 HydrophobicContact CD2-CB 4.15Å; F199-L279 HydrophobicContact CD2-CD1 4.04Å; F199-L279 HydrophobicContact CE1-CB 4.25Å; F199-L279 HydrophobicContact CE2-CB 3.82Å; F199-L279 HydrophobicContact CG-CB 4.5Å; F199-L279 HydrophobicContact CG-CD1 4.17Å; F199-L279 HydrophobicContact CZ-CB 3.87Å | ||
| 200 | P | 67.4 | Low | 61.8 | Low | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 150.3 | -179.4 | -25 | 35.2 | 0 | 0 | 0 | 113 | I202 Q217 E218 Q220 | P200-I202 PolarHBondContact O-N 2.79Å; P200-I202 VanDerWaalsContact O-N 3.14Å; P200-Q217 PolarHBondContact O-NE2 2.04Å; P200-Q217 PolarHBondContact O-OE1 2.98Å; P200-E218 VanDerWaalsContact CD-O 3.27Å; P200-E218 WeakPolarHBondContact CD-O 3.42Å; P200-Q220 HydrophobicContact CG-CB 4.42Å; P200-Q220 HydrophobicContact CG-CG 3.84Å |
| 201 | G | 61 | Low | 61.3 | Low | 91 Ų | 91 | 57.8 Ų | 57.8 | 94% | 0.938 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -28.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 202 | I | 53.7 | Low | 60.5 | Low | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.5 | 140.6 | -176.9 | -55.5 | -178.9 | 0 | 0 | 0 | 111.6 | F199 P200 G204 V206 L207 Q217 L279 | F199-I202 HydrophobicContact CB-CD1 4.22Å; P200-I202 PolarHBondContact O-N 2.79Å; P200-I202 VanDerWaalsContact O-N 3.14Å; I202-G204 VanDerWaalsContact C-N 3.3Å; I202-G204 WeakPolarHBondContact CG2-O 3.33Å; I202-G204 PolarHBondContact O-N 2.79Å; I202-G204 VanDerWaalsContact O-N 3.08Å; I202-V206 WeakPolarHBondContact CG2-O 3.27Å; I202-L207 HydrophobicContact CD1-CB 4Å; I202-L207 HydrophobicContact CD1-CD1 3.87Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG1-CD1 4.11Å; I202-Q217 VanDerWaalsContact CD1-CD 3.48Å; I202-Q217 HydrophobicContact CD1-CG 3.87Å; I202-Q217 VanDerWaalsContact CG1-OE1 3.28Å; I202-L279 HydrophobicContact CD1-CD1 3.34Å |
| 203 | R | 42.7 | Very low | 60 | Low | 206 Ų | 206 | 60.5 Ų | 60.5 | 78% | 0.777 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -85.6 | 69.2 | 176.3 | -112.7 | -173.5 | -170.5 | -171.7 | 6 | 111.8 | T324 | R203-T324 HydrophobicContact CB-CG2 3.9Å; R203-T324 HydrophobicContact CG-CG2 4.03Å; R203-T324 WeakPolarHBondContact O-CG2 3.35Å |
| 204 | G | 50.6 | Low | 60.3 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 105.8 | -146.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I202 | I202-G204 VanDerWaalsContact C-N 3.3Å; I202-G204 WeakPolarHBondContact CG2-O 3.33Å; I202-G204 PolarHBondContact O-N 2.79Å; I202-G204 VanDerWaalsContact O-N 3.08Å |
| 205 | N | 60.1 | Low | 60.7 | Low | 29 Ų | 29 | 55.1 Ų | 55.1 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -102.4 | 4.2 | -178.5 | -79.3 | 28.2 | 0 | 0 | 0 | 114.2 | N277 S278 I280 T328 | N205-N277 PolarHBondContact ND2-ND2 2.89Å; N205-N277 PolarHBondContact ND2-OD1 2.83Å; N205-N277 PolarHBondContact OD1-ND2 2.93Å; N205-S278 PolarHBondContact ND2-O 2.83Å; N205-I280 HydrophobicContact CB-CD1 4.29Å; N205-I280 PolarHBondContact O-N 2.69Å; N205-T328 WeakPolarHBondContact ND2-CG2 3.48Å |
| 206 | V | 59.7 | Low | 61.4 | Low | 36 Ų | 36 | 60.7 Ų | 60.7 | 22% | 0.218 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.6 | -175 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | I202 E208 I280 P347 | I202-V206 WeakPolarHBondContact CG2-O 3.27Å; V206-E208 HydrophobicContact CG1-CG 4.35Å; V206-I280 CarbonylContact C-O 3.55Å; V206-I280 WeakPolarHBondContact CA-O 3.13Å; V206-I280 HydrophobicContact CG2-CB 4.31Å; V206-I280 HydrophobicContact CG2-CD1 4.07Å; V206-P347 HydrophobicContact CG2-CG 3.81Å |
| 207 | L | 66.6 | Low | 62.2 | Low | 37 Ų | 37 | 60.7 Ų | 60.7 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 108.3 | 171.2 | -171.9 | 68 | 0 | 0 | 0 | 109 | I202 V209 I215 L279 I280 V281 T282 | I202-L207 HydrophobicContact CD1-CB 4Å; I202-L207 HydrophobicContact CD1-CD1 3.87Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG1-CD1 4.11Å; L207-V209 HydrophobicContact CB-CG2 4.49Å; L207-V209 HydrophobicContact CD2-CG2 3.73Å; L207-V209 HydrophobicContact CG-CG2 3.61Å; L207-I215 HydrophobicContact CD2-CG2 3.95Å; L207-L279 HydrophobicContact CB-CD1 4.29Å; L207-I280 PolarHBondContact N-O 2.66Å; L207-V281 HydrophobicContact CB-CG2 4.41Å; L207-V281 HydrophobicContact CD2-CG2 4.45Å; L207-V281 WeakPolarHBondContact O-CA 3.12Å; L207-T282 PolarHBondContact O-N 2.91Å |
| 208 | E | 63.4 | Low | 62.6 | Low | 86 Ų | 86 | 63.3 Ų | 63.3 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.9 | 170 | -70.3 | -178.6 | 134.3 | 0 | 0 | 109.2 | V206 T282 | V206-E208 HydrophobicContact CG1-CG 4.35Å; E208-T282 CarbonylContact C-O 3.51Å; E208-T282 WeakPolarHBondContact CA-O 3.33Å |
| 209 | V | 64.3 | Low | 62.9 | Low | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.5 | -174.5 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | L207 I252 V281 T282 Q283 H284 | L207-V209 HydrophobicContact CB-CG2 4.49Å; L207-V209 HydrophobicContact CD2-CG2 3.73Å; L207-V209 HydrophobicContact CG-CG2 3.61Å; V209-I252 HydrophobicContact CB-CD1 3.66Å; V209-I252 HydrophobicContact CG1-CD1 3.63Å; V209-I252 HydrophobicContact CG1-CG1 4.23Å; V209-I252 HydrophobicContact CG2-CD1 3.85Å; V209-V281 HydrophobicContact CG2-CG1 3.95Å; V209-T282 PolarHBondContact N-O 2.89Å; V209-Q283 WeakPolarHBondContact O-CA 3.26Å; V209-H284 PolarHBondContact O-N 2.59Å |
| 210 | L | 55.4 | Low | 63.1 | Low | 107 Ų | 107 | 63.1 Ų | 63.1 | 56% | 0.56 | 35% | 0.35 | S | S | * | . | trans | -77.7 | 160.8 | 176.9 | -64.3 | 168.3 | 0 | 0 | 0 | 111 | T212 G213 F286 | L210-T212 PolarHBondContact O-N 3.25Å; L210-G213 PolarHBondContact O-N 3.38Å; L210-F286 HydrophobicContact CD2-CE2 4.23Å | ||
| 211 | E | 52.8 | Low | 63.5 | Low | 129 Ų | 129 | 61.4 Ų | 61.4 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -5.7 | -178.8 | -124.7 | -170.8 | 148.6 | 0 | 0 | 116.2 | I252 | E211-I252 CarbonylContact C-O 3.52Å; E211-I252 VanDerWaalsContact O-O 3.05Å |
| 212 | T | 51 | Low | 63.7 | Low | 108 Ų | 108 | 61.1 Ų | 61.1 | 66% | 0.663 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.5 | 24.4 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | L210 | L210-T212 PolarHBondContact O-N 3.25Š|
| 213 | G | 46.7 | Very low | 64.2 | Low | 17 Ų | 17 | 60.7 Ų | 60.7 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | trans | -93.6 | 148.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L210 I252 | L210-G213 PolarHBondContact O-N 3.38Å; G213-I252 PolarHBondContact O-N 3.12Å; G213-I252 VanDerWaalsContact O-N 3.15Å | ||
| 214 | D | 62.7 | Low | 64.9 | Low | 88 Ų | 88 | 53.4 Ų | 53.4 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | trans | -89.7 | 139.8 | 174.4 | -53.9 | -43.8 | 0 | 0 | 0 | 110.7 | D250 Y251 | D214-D250 WeakPolarHBondContact OD1-CA 3.44Å; D214-Y251 PolarHBondContact OD1-N 2.67Å | ||
| 215 | I | 66.5 | Low | 65.5 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116 | 165.9 | -52.5 | 172.6 | 0 | 0 | 0 | 107.5 | L207 Q217 L247 Q248 R249 I252 V281 | L207-I215 HydrophobicContact CD2-CG2 3.95Å; I215-Q217 HydrophobicContact CG2-CB 4.46Å; I215-L247 HydrophobicContact CG2-CD2 3.85Å; I215-L247 HydrophobicContact CG2-CG 4.05Å; I215-Q248 CarbonylContact O-C 3.29Å; I215-Q248 VanDerWaalsContact O-CA 3.3Å; I215-Q248 WeakPolarHBondContact O-CA 3.49Å; I215-R249 HydrophobicContact CB-CB 4.18Å; I215-R249 HydrophobicContact CD1-CB 4.12Å; I215-R249 HydrophobicContact CG1-CB 4.4Å; I215-R249 PolarHBondContact N-O 2.78Å; I215-R249 PolarHBondContact O-N 3.4Å; I215-I252 HydrophobicContact CD1-CD1 3.66Å; I215-I252 HydrophobicContact CD1-CG1 3.95Å; I215-I252 HydrophobicContact CG1-CD1 3.56Å; I215-I252 HydrophobicContact CG1-CG1 3.83Å; I215-V281 HydrophobicContact CD1-CG1 3.9Å; I215-V281 HydrophobicContact CD1-CG2 4.15Å; I215-V281 HydrophobicContact CG1-CG1 4.36Å |
| 216 | L | 76 | Confident | 65.7 | Low | 121 Ų | 121 | 56.7 Ų | 56.7 | 63% | 0.634 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 107.3 | 162.4 | -176.3 | 69.5 | 0 | 0 | 0 | 108.2 | Q248 | L216-Q248 HydrophobicContact CD1-CB 4.13Å; L216-Q248 HydrophobicContact CD1-CG 4.13Å |
| 217 | Q | 81.5 | Confident | 65.9 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.2 | -177.8 | -172.6 | 51.8 | 49.8 | 0 | 0 | 113 | F199 P200 I202 I215 W233 L247 L279 | F199-Q217 HydrophobicContact CB-CG 4.21Å; F199-Q217 HydrophobicContact CD1-CG 4.38Å; P200-Q217 PolarHBondContact O-NE2 2.04Å; P200-Q217 PolarHBondContact O-OE1 2.98Å; I202-Q217 VanDerWaalsContact CD1-CD 3.48Å; I202-Q217 HydrophobicContact CD1-CG 3.87Å; I202-Q217 VanDerWaalsContact CG1-OE1 3.28Å; I215-Q217 HydrophobicContact CG2-CB 4.46Å; Q217-W233 HydrophobicContact CG-CH2 4.25Å; Q217-W233 HydrophobicContact CG-CZ2 4.41Å; Q217-L247 PolarHBondContact N-O 3.01Å; Q217-L247 PolarHBondContact O-N 3Å; Q217-L279 HydrophobicContact CB-CD2 4.17Å; Q217-L279 HydrophobicContact CG-CD2 3.97Å |
| 218 | E | 83.3 | Confident | 66.1 | Low | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 145.8 | 172.2 | -167.2 | -176.7 | 163.7 | 0 | 0 | 111.5 | P200 Q220 A245 F246 | P200-E218 VanDerWaalsContact CD-O 3.27Å; P200-E218 WeakPolarHBondContact CD-O 3.42Å; E218-Q220 HydrophobicContact CG-CG 4.03Å; E218-Q220 VanDerWaalsContact OE1-CG 3.25Å; E218-Q220 WeakPolarHBondContact OE1-CG 3.21Å; E218-Q220 PolarHBondContact OE1-NE2 3.08Å; E218-Q220 PolarHBondContact OE2-NE2 2.83Å; E218-A245 CarbonylContact C-O 3.58Å; E218-A245 HydrophobicContact CG-CB 4.47Å; E218-F246 HydrophobicContact CB-CD1 3.87Å; E218-F246 HydrophobicContact CB-CE1 3.71Å; E218-F246 HydrophobicContact CG-CD1 3.92Å; E218-F246 HydrophobicContact CG-CE1 3.49Å; E218-F246 VanDerWaalsContact CG-CE1 3.49Å; E218-F246 HydrophobicContact CG-CZ 3.98Å |
| 219 | C | 80.1 | Confident | 66.7 | Low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | trans | -108.4 | 119.9 | 169 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | V197 F199 F231 W233 A245 C263 | V197-C219 WeakPolarHBondContact CG1-SG 3.47Å; F199-C219 HydrophobicContact CE1-CB 4.3Å; C219-F231 HydrophobicContact CB-CD1 4.29Å; C219-F231 VanDerWaalsContact O-CE1 3.26Å; C219-F231 WeakPolarHBondContact O-CE1 3.13Å; C219-W233 HydrophobicContact CB-CH2 4.41Å; C219-W233 HydrophobicContact CB-CZ2 3.52Å; C219-A245 WeakPolarHBondContact CB-O 3.29Å; C219-A245 PolarHBondContact N-O 3.11Å; C219-C263 HydrophobicContact CB-CB 3.67Å; C219-C263 WeakPolarHBondContact CB-SG 3.29Å; C219-C263 WeakPolarHBondContact SG-CB 3.46Å; C219-C263 CovalentContact SG-SG 2.02Å; C219-C263 PolarHBondContact SG-SG 2.9Å | ||
| 220 | Q | 78.5 | Confident | 67.5 | Low | 76 Ų | 76 | 60.3 Ų | 60.3 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137 | 178.7 | -68.9 | -175.4 | -12.5 | 0 | 0 | 111 | V197 I198 P200 E218 | V197-Q220 CarbonylContact C-O 3.56Å; V197-Q220 WeakPolarHBondContact CA-O 3.06Å; I198-Q220 HydrophobicContact CG1-CB 4.1Å; I198-Q220 PolarHBondContact N-O 2.76Å; I198-Q220 PolarHBondContact O-N 3.14Å; P200-Q220 HydrophobicContact CG-CB 4.42Å; P200-Q220 HydrophobicContact CG-CG 3.84Å; E218-Q220 HydrophobicContact CG-CG 4.03Å; E218-Q220 VanDerWaalsContact OE1-CG 3.25Å; E218-Q220 WeakPolarHBondContact OE1-CG 3.21Å; E218-Q220 PolarHBondContact OE1-NE2 3.08Å; E218-Q220 PolarHBondContact OE2-NE2 2.83Å |
| 221 | V | 77.6 | Confident | 69 | Low | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.7 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | G196 V197 S223 P226 Y229 F231 A265 V275 | G196-V221 CarbonylContact O-C 3.55Å; V197-V221 HydrophobicContact CG2-CG2 4Å; V221-S223 PolarHBondContact O-N 3.49Å; V221-P226 HydrophobicContact CB-CB 4.46Å; V221-P226 WeakPolarHBondContact O-CB 3.07Å; V221-P226 WeakPolarHBondContact O-CG 3.4Å; V221-Y229 HydrophobicContact CB-CD2 4.36Å; V221-Y229 HydrophobicContact CG1-CD2 4.07Å; V221-Y229 HydrophobicContact CG1-CE2 3.94Å; V221-Y229 HydrophobicContact CG2-CD1 4.37Å; V221-Y229 HydrophobicContact CG2-CD2 4.19Å; V221-Y229 HydrophobicContact CG2-CG 3.98Å; V221-F231 HydrophobicContact CG2-CE1 3.81Å; V221-F231 HydrophobicContact CG2-CZ 3.85Å; V221-A265 HydrophobicContact CG2-CB 3.38Å; V221-V275 HydrophobicContact CG1-CG2 4.09Å; V221-V275 HydrophobicContact CG2-CG2 4.29Å |
| 222 | V | 64.7 | Low | 70.6 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 95.6 | 162.1 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | A195 G196 I198 | A195-V222 VanDerWaalsContact CA-O 3.22Å; A195-V222 WeakPolarHBondContact CA-O 3.23Å; G196-V222 PolarHBondContact N-O 2.94Å; G196-V222 VanDerWaalsContact N-O 3.12Å; G196-V222 PolarHBondContact O-N 3.09Å; I198-V222 HydrophobicContact CB-CG2 4.41Å; I198-V222 HydrophobicContact CD1-CG2 3.63Å; I198-V222 HydrophobicContact CG1-CG2 3.82Å; I198-V222 HydrophobicContact CG2-CG2 3.76Å |
| 223 | S | 63.6 | Low | 72.2 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -144 | 166 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 108.3 | E114 V221 K225 P226 | E114-S223 WeakPolarHBondContact OE1-CB 3.49Å; E114-S223 PolarHBondContact OE1-OG 3.45Å; V221-S223 PolarHBondContact O-N 3.49Å; S223-K225 PolarHBondContact O-N 2.66Å; S223-K225 PolarHBondContact OG-N 3.07Å; S223-P226 WeakPolarHBondContact O-CD 3.24Å |
| 224 | A | 58.3 | Low | 73.9 | Confident | 54 Ų | 54 | 50 Ų | 50 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -61.5 | -23.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E114 I192 | E114-A224 PolarHBondContact OE1-N 2.84Å; I192-A224 HydrophobicContact CD1-CB 4.21Å |
| 225 | K | 63.4 | Low | 74.4 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | trans | -136.8 | 76.6 | 176.9 | -61.4 | -162.3 | -177 | -144.4 | 0 | 112.7 | S223 S227 Q228 E2358 | S223-K225 PolarHBondContact O-N 2.66Å; S223-K225 PolarHBondContact OG-N 3.07Å; K225-S227 VanDerWaalsContact C-N 3.26Å; K225-S227 PolarHBondContact O-N 2.92Å; K225-Q228 PolarHBondContact O-N 2.85Å; K225-E2358 WeakPolarHBondContact CE-OE1 3.47Å; K225-E2358 IonicContact NZ-OE1 3.13Å; K225-E2358 PolarHBondContact NZ-OE1 2.66Å | ||
| 226 | P | 62.6 | Low | 74.5 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -60.7 | -29.8 | -176.4 | -25 | 36.1 | 0 | 0 | 0 | 114.7 | V221 S223 Q228 | V221-P226 HydrophobicContact CB-CB 4.46Å; V221-P226 WeakPolarHBondContact O-CB 3.07Å; V221-P226 WeakPolarHBondContact O-CG 3.4Å; S223-P226 WeakPolarHBondContact O-CD 3.24Å; P226-Q228 VanDerWaalsContact C-N 3.31Å; P226-Q228 PolarHBondContact O-N 2.75Å |
| 227 | S | 65.4 | Low | 74.1 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -77.5 | -7.7 | -175.1 | 56 | 0 | 0 | 0 | 0 | 115.1 | K225 Y229 | K225-S227 VanDerWaalsContact C-N 3.26Å; K225-S227 PolarHBondContact O-N 2.92Å; S227-Y229 VanDerWaalsContact C-N 3.28Å; S227-Y229 PolarHBondContact O-N 2.84Å |
| 228 | Q | 69.2 | Low | 73.4 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -93.9 | 28.1 | 176.3 | -68.1 | -172.8 | -65.4 | 0 | 0 | 112.7 | K225 P226 P267 V268 E269 | K225-Q228 PolarHBondContact O-N 2.85Å; P226-Q228 VanDerWaalsContact C-N 3.31Å; P226-Q228 PolarHBondContact O-N 2.75Å; Q228-P267 WeakPolarHBondContact O-CA 3.37Å; Q228-V268 PolarHBondContact O-N 3.42Å; Q228-E269 PolarHBondContact NE2-OE2 3.48Å |
| 229 | Y | 76.6 | Confident | 73.1 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.9 | -179.9 | -75.6 | -90.3 | 0 | 0 | 0 | 110.9 | V221 S227 F231 A265 S266 P267 V275 | V221-Y229 HydrophobicContact CB-CD2 4.36Å; V221-Y229 HydrophobicContact CG1-CD2 4.07Å; V221-Y229 HydrophobicContact CG1-CE2 3.94Å; V221-Y229 HydrophobicContact CG2-CD1 4.37Å; V221-Y229 HydrophobicContact CG2-CD2 4.19Å; V221-Y229 HydrophobicContact CG2-CG 3.98Å; S227-Y229 VanDerWaalsContact C-N 3.28Å; S227-Y229 PolarHBondContact O-N 2.84Å; Y229-F231 VanDerWaalsContact O-CD2 3.23Å; Y229-F231 WeakPolarHBondContact O-CD2 3.46Å; Y229-F231 WeakPolarHBondContact O-CE2 3.24Å; Y229-A265 HydrophobicContact CD1-CB 3.85Å; Y229-A265 WeakPolarHBondContact CD1-O 3.4Å; Y229-A265 HydrophobicContact CG-CB 4.26Å; Y229-S266 WeakPolarHBondContact CA-O 3.33Å; Y229-P267 HydrophobicContact CD1-CB 4.12Å; Y229-P267 HydrophobicContact CE1-CB 3.8Å; Y229-P267 HydrophobicContact CE1-CG 4.25Å; Y229-V275 HydrophobicContact CD1-CG2 4.36Å; Y229-V275 HydrophobicContact CE1-CG2 3.84Å |
| 230 | N | 82.4 | Confident | 73 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.5 | 167.7 | -73.5 | -33.3 | 0 | 0 | 0 | 109.3 | A265 S266 | N230-A265 WeakPolarHBondContact O-CA 3.16Å; N230-S266 PolarHBondContact N-O 3.39Å; N230-S266 PolarHBondContact O-N 3.12Å |
| 231 | F | 86 | Confident | 73 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.5 | -172.7 | -68.1 | -96 | 0 | 0 | 0 | 111.9 | C219 V221 Y229 N243 S244 A245 A265 | C219-F231 HydrophobicContact CB-CD1 4.29Å; C219-F231 VanDerWaalsContact O-CE1 3.26Å; C219-F231 WeakPolarHBondContact O-CE1 3.13Å; V221-F231 HydrophobicContact CG2-CE1 3.81Å; V221-F231 HydrophobicContact CG2-CZ 3.85Å; Y229-F231 VanDerWaalsContact O-CD2 3.23Å; Y229-F231 WeakPolarHBondContact O-CD2 3.46Å; Y229-F231 WeakPolarHBondContact O-CE2 3.24Å; F231-N243 CarbonylContact O-C 3.56Å; F231-N243 WeakPolarHBondContact O-CA 3.18Å; F231-S244 VanDerWaalsContact CB-C 3.48Å; F231-S244 WeakPolarHBondContact CB-O 3.37Å; F231-S244 PolarHBondContact O-N 2.05Å; F231-A245 HydrophobicContact CD1-CB 4.27Å; F231-A245 HydrophobicContact CD2-CB 4.35Å; F231-A245 HydrophobicContact CG-CB 4.15Å; F231-A265 HydrophobicContact CD1-CB 4.34Å; F231-A265 HydrophobicContact CE1-CB 4.27Å |
| 232 | Q | 86.5 | Confident | 73.1 | Confident | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 112.3 | 177.9 | -70 | -161.7 | -44.5 | 0 | 0 | 110.5 | F234 L240 S242 N243 V264 | Q232-F234 HydrophobicContact CB-CD2 4.35Å; Q232-F234 HydrophobicContact CB-CE2 3.55Å; Q232-F234 HydrophobicContact CB-CZ 4.05Å; Q232-F234 WeakPolarHBondContact O-CD2 3.28Å; Q232-L240 HydrophobicContact CB-CD1 3.63Å; Q232-L240 HydrophobicContact CG-CD1 3.9Å; Q232-S242 WeakPolarHBondContact CA-O 3.43Å; Q232-N243 PolarHBondContact NE2-OD1 2.79Å; Q232-V264 HydrophobicContact CB-CB 4.45Å; Q232-V264 PolarHBondContact N-O 3.36Å; Q232-V264 PolarHBondContact O-N 3.46Å |
| 233 | W | 84.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.1 | 171.4 | -79.1 | 100.9 | 0 | 0 | 0 | 110.5 | F199 Q217 C219 L240 I241 S242 S244 A245 L247 C263 L279 | F199-W233 AromaticContact CD1-CH2 3.61Å; F199-W233 HydrophobicContact CD1-CH2 3.61Å; F199-W233 HydrophobicContact CD1-CZ2 4.12Å; F199-W233 AromaticContact CE1-CH2 3.28Å; F199-W233 HydrophobicContact CE1-CH2 3.28Å; F199-W233 AromaticContact CE1-CZ2 3.93Å; F199-W233 HydrophobicContact CE1-CZ2 3.93Å; F199-W233 AromaticContact CE1-CZ3 3.86Å; F199-W233 HydrophobicContact CE1-CZ3 3.86Å; F199-W233 HydrophobicContact CZ-CH2 4.16Å; F199-W233 HydrophobicContact CZ-CZ3 4.36Å; Q217-W233 HydrophobicContact CG-CH2 4.25Å; Q217-W233 HydrophobicContact CG-CZ2 4.41Å; C219-W233 HydrophobicContact CB-CH2 4.41Å; C219-W233 HydrophobicContact CB-CZ2 3.52Å; W233-L240 CarbonylContact O-C 3.45Å; W233-L240 WeakPolarHBondContact O-CA 3.25Å; W233-I241 PolarHBondContact O-N 3.33Å; W233-S242 PolarHBondContact N-O 2.78Å; W233-S242 PolarHBondContact O-N 3.14Å; W233-S244 VanDerWaalsContact CD1-O 3.26Å; W233-A245 PolarHBondContact NE1-O 3.23Å; W233-L247 HydrophobicContact CD2-CB 3.72Å; W233-L247 HydrophobicContact CD2-CD2 4.45Å; W233-L247 HydrophobicContact CE3-CB 4.16Å; W233-L247 HydrophobicContact CE3-CD2 4.04Å; W233-L247 HydrophobicContact CG-CB 4.07Å; W233-L247 HydrophobicContact CH2-CB 4.19Å; W233-L247 HydrophobicContact CH2-CD2 4.18Å; W233-L247 HydrophobicContact CZ2-CB 3.77Å; W233-L247 HydrophobicContact CZ3-CB 4.38Å; W233-L247 HydrophobicContact CZ3-CD2 3.91Å; W233-C263 HydrophobicContact CD2-CB 3.86Å; W233-C263 HydrophobicContact CE3-CB 3.84Å; W233-C263 HydrophobicContact CH2-CB 4.28Å; W233-C263 HydrophobicContact CZ2-CB 4.27Å; W233-C263 HydrophobicContact CZ3-CB 4.04Å; W233-L279 HydrophobicContact CH2-CB 4.09Å; W233-L279 HydrophobicContact CH2-CD2 3.94Å; W233-L279 HydrophobicContact CZ3-CB 3.86Å; W233-L279 HydrophobicContact CZ3-CD2 4.09Å |
| 234 | F | 81.4 | Confident | 74.6 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 145.6 | 170.5 | -59 | -96.7 | 0 | 0 | 0 | 110.1 | Q232 G238 R239 L240 Y261 R262 V264 | Q232-F234 HydrophobicContact CB-CD2 4.35Å; Q232-F234 HydrophobicContact CB-CE2 3.55Å; Q232-F234 HydrophobicContact CB-CZ 4.05Å; Q232-F234 WeakPolarHBondContact O-CD2 3.28Å; F234-G238 WeakPolarHBondContact CD1-O 3.26Å; F234-R239 CarbonylContact C-O 3.56Å; F234-R239 WeakPolarHBondContact CA-O 3.24Å; F234-L240 HydrophobicContact CD1-CB 4.06Å; F234-L240 HydrophobicContact CE1-CB 3.92Å; F234-L240 HydrophobicContact CE1-CD1 4.15Å; F234-L240 HydrophobicContact CE2-CD1 4.35Å; F234-L240 HydrophobicContact CZ-CD1 4.05Å; F234-Y261 CarbonylContact O-C 3.45Å; F234-Y261 WeakPolarHBondContact O-CA 3.14Å; F234-R262 HydrophobicContact CB-CB 4.43Å; F234-R262 PolarHBondContact N-O 2.92Å; F234-R262 PolarHBondContact O-N 3.01Å; F234-V264 HydrophobicContact CD2-CB 4.38Å; F234-V264 HydrophobicContact CD2-CG2 3.75Å; F234-V264 HydrophobicContact CE2-CB 3.94Å; F234-V264 HydrophobicContact CE2-CG2 3.6Å |
| 235 | G | 74.6 | Confident | 75.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -86.4 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D237 G238 R239 I260 | G235-D237 PolarHBondContact O-N 3.25Å; G235-G238 WeakPolarHBondContact O-CA 3.49Å; G235-G238 PolarHBondContact O-N 2.93Å; G235-R239 PolarHBondContact N-O 3.41Å; G235-I260 CarbonylContact C-O 3.46Å | ||
| 236 | P | 67.2 | Low | 76.7 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.5 | 174.8 | -26.6 | 35.4 | 0 | 0 | 0 | 114 | G238 E258 I260 Y261 | P236-G238 VanDerWaalsContact C-N 3.3Å; P236-E258 WeakPolarHBondContact CG-O 3.23Å; P236-I260 WeakPolarHBondContact CA-O 3.33Å; P236-Y261 HydrophobicContact CG-CD2 4.09Å; P236-Y261 HydrophobicContact CG-CE2 3.67Å |
| 237 | D | 68.7 | Low | 77.6 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 4 | 175.6 | 71.5 | -14.4 | 0 | 0 | 0 | 113.8 | G235 R239 | G235-D237 PolarHBondContact O-N 3.25Å; D237-R239 VanDerWaalsContact C-N 3.26Å; D237-R239 PolarHBondContact O-N 3.27Å; D237-R239 VanDerWaalsContact OD1-CB 3.31Å; D237-R239 WeakPolarHBondContact OD1-CB 3.27Å; D237-R239 PolarHBondContact OD1-N 2.04Å; D237-R239 WeakPolarHBondContact OD2-CD 3.45Å; D237-R239 VanDerWaalsContact OD2-CG 3.32Å; D237-R239 WeakPolarHBondContact OD2-CG 3.15Å; D237-R239 IonicContact OD2-CZ 3.5Å; D237-R239 IonicContact OD2-NE 3.58Å; D237-R239 IonicContact OD2-NH1 3.77Å; D237-R239 PolarHBondContact OD2-NH1 3.19Å |
| 238 | G | 66.6 | Low | 78.1 | Confident | 52 Ų | 52 | 60 Ų | 60 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 72.8 | 9.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F234 G235 P236 | F234-G238 WeakPolarHBondContact CD1-O 3.26Å; G235-G238 WeakPolarHBondContact O-CA 3.49Å; G235-G238 PolarHBondContact O-N 2.93Å; P236-G238 VanDerWaalsContact C-N 3.3Å |
| 239 | R | 78 | Confident | 78.1 | Confident | 179 Ų | 179 | 61.4 Ų | 61.4 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | trans | -88.2 | 142.6 | 176.2 | -66 | -172.2 | -179.1 | 128.8 | -13.3 | 112.4 | F234 G235 D237 I241 | F234-R239 CarbonylContact C-O 3.56Å; F234-R239 WeakPolarHBondContact CA-O 3.24Å; G235-R239 PolarHBondContact N-O 3.41Å; D237-R239 VanDerWaalsContact C-N 3.26Å; D237-R239 PolarHBondContact O-N 3.27Å; D237-R239 VanDerWaalsContact OD1-CB 3.31Å; D237-R239 WeakPolarHBondContact OD1-CB 3.27Å; D237-R239 PolarHBondContact OD1-N 2.04Å; D237-R239 WeakPolarHBondContact OD2-CD 3.45Å; D237-R239 VanDerWaalsContact OD2-CG 3.32Å; D237-R239 WeakPolarHBondContact OD2-CG 3.15Å; D237-R239 IonicContact OD2-CZ 3.5Å; D237-R239 IonicContact OD2-NE 3.58Å; D237-R239 IonicContact OD2-NH1 3.77Å; D237-R239 PolarHBondContact OD2-NH1 3.19Å; R239-I241 PolarHBondContact O-N 3.31Å | ||
| 240 | L | 77.9 | Confident | 77.4 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 113 | 172.9 | -176.7 | 65.5 | 0 | 0 | 0 | 111 | Q232 W233 F234 N243 | Q232-L240 HydrophobicContact CB-CD1 3.63Å; Q232-L240 HydrophobicContact CG-CD1 3.9Å; W233-L240 CarbonylContact O-C 3.45Å; W233-L240 WeakPolarHBondContact O-CA 3.25Å; F234-L240 HydrophobicContact CD1-CB 4.06Å; F234-L240 HydrophobicContact CE1-CB 3.92Å; F234-L240 HydrophobicContact CE1-CD1 4.15Å; F234-L240 HydrophobicContact CE2-CD1 4.35Å; F234-L240 HydrophobicContact CZ-CD1 4.05Å; L240-N243 WeakPolarHBondContact CD2-OD1 3.08Å |
| 241 | I | 76.8 | Confident | 76 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -39.3 | 177.3 | -50.2 | 163.4 | 0 | 0 | 0 | 110.9 | W233 R239 L247 Y261 | W233-I241 PolarHBondContact O-N 3.33Å; R239-I241 PolarHBondContact O-N 3.31Å; I241-L247 HydrophobicContact CD1-CD1 4.17Å; I241-L247 HydrophobicContact CG2-CD1 4.45Å; I241-Y261 HydrophobicContact CD1-CD1 3.49Å; I241-Y261 VanDerWaalsContact CD1-CD1 3.49Å; I241-Y261 HydrophobicContact CD1-CE1 3.46Å; I241-Y261 VanDerWaalsContact CD1-CE1 3.46Å |
| 242 | S | 81.2 | Confident | 74.3 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.1 | -176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | Q232 W233 S244 F246 | Q232-S242 WeakPolarHBondContact CA-O 3.43Å; W233-S242 PolarHBondContact N-O 2.78Å; W233-S242 PolarHBondContact O-N 3.14Å; S242-S244 PolarHBondContact OG-N 3.16Å; S242-S244 PolarHBondContact OG-OG 2.93Å; S242-F246 WeakPolarHBondContact CB-O 3.21Å; S242-F246 PolarHBondContact OG-O 3.38Å |
| 243 | N | 77.8 | Confident | 72.5 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -101.5 | 36.6 | 172.2 | -75 | -71.1 | 0 | 0 | 0 | 111.2 | F231 Q232 L240 | F231-N243 CarbonylContact O-C 3.56Å; F231-N243 WeakPolarHBondContact O-CA 3.18Å; Q232-N243 PolarHBondContact NE2-OD1 2.79Å; L240-N243 WeakPolarHBondContact CD2-OD1 3.08Å |
| 244 | S | 81.8 | Confident | 70.9 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -137.4 | 172.6 | 178.4 | 75 | 0 | 0 | 0 | 0 | 110.3 | F231 W233 S242 F246 | F231-S244 VanDerWaalsContact CB-C 3.48Å; F231-S244 WeakPolarHBondContact CB-O 3.37Å; F231-S244 PolarHBondContact O-N 2.05Å; W233-S244 VanDerWaalsContact CD1-O 3.26Å; S242-S244 PolarHBondContact OG-N 3.16Å; S242-S244 PolarHBondContact OG-OG 2.93Å; S244-F246 PolarHBondContact O-N 3.27Å; S244-F246 PolarHBondContact OG-N 2.84Å; S244-F246 PolarHBondContact OG-O 2.97Å |
| 245 | A | 81 | Confident | 69.3 | Low | 21 Ų | 21 | 79.9 Ų | 79.9 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -61.8 | -19.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E218 C219 F231 W233 | E218-A245 CarbonylContact C-O 3.58Å; E218-A245 HydrophobicContact CG-CB 4.47Å; C219-A245 WeakPolarHBondContact CB-O 3.29Å; C219-A245 PolarHBondContact N-O 3.11Å; F231-A245 HydrophobicContact CD1-CB 4.27Å; F231-A245 HydrophobicContact CD2-CB 4.35Å; F231-A245 HydrophobicContact CG-CB 4.15Å; W233-A245 PolarHBondContact NE1-O 3.23Å |
| 246 | F | 84.7 | Confident | 68.4 | Low | 104 Ų | 104 | 89.6 Ų | 89.6 | 46% | 0.456 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.8 | -173.6 | -59.4 | -82.1 | 0 | 0 | 0 | 113 | E218 S242 S244 | E218-F246 HydrophobicContact CB-CD1 3.87Å; E218-F246 HydrophobicContact CB-CE1 3.71Å; E218-F246 HydrophobicContact CG-CD1 3.92Å; E218-F246 HydrophobicContact CG-CE1 3.49Å; E218-F246 VanDerWaalsContact CG-CE1 3.49Å; E218-F246 HydrophobicContact CG-CZ 3.98Å; S242-F246 WeakPolarHBondContact CB-O 3.21Å; S242-F246 PolarHBondContact OG-O 3.38Å; S244-F246 PolarHBondContact O-N 3.27Å; S244-F246 PolarHBondContact OG-N 2.84Å; S244-F246 PolarHBondContact OG-O 2.97Å |
| 247 | L | 81 | Confident | 67.9 | Low | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.1 | 161.4 | 174.3 | 67 | 0 | 0 | 0 | 107.4 | I215 Q217 W233 I241 R249 Y261 L279 | I215-L247 HydrophobicContact CG2-CD2 3.85Å; I215-L247 HydrophobicContact CG2-CG 4.05Å; Q217-L247 PolarHBondContact N-O 3.01Å; Q217-L247 PolarHBondContact O-N 3Å; W233-L247 HydrophobicContact CD2-CB 3.72Å; W233-L247 HydrophobicContact CD2-CD2 4.45Å; W233-L247 HydrophobicContact CE3-CB 4.16Å; W233-L247 HydrophobicContact CE3-CD2 4.04Å; W233-L247 HydrophobicContact CG-CB 4.07Å; W233-L247 HydrophobicContact CH2-CB 4.19Å; W233-L247 HydrophobicContact CH2-CD2 4.18Å; W233-L247 HydrophobicContact CZ2-CB 3.77Å; W233-L247 HydrophobicContact CZ3-CB 4.38Å; W233-L247 HydrophobicContact CZ3-CD2 3.91Å; I241-L247 HydrophobicContact CD1-CD1 4.17Å; I241-L247 HydrophobicContact CG2-CD1 4.45Å; L247-R249 HydrophobicContact CD1-CG 4.26Å; L247-Y261 HydrophobicContact CD1-CD1 3.77Å; L247-Y261 HydrophobicContact CD1-CE1 4.11Å; L247-Y261 HydrophobicContact CD2-CD1 3.5Å; L247-Y261 HydrophobicContact CD2-CE1 4.19Å; L247-Y261 HydrophobicContact CD2-CG 3.81Å; L247-Y261 HydrophobicContact CG-CD1 4.29Å; L247-L279 HydrophobicContact CD2-CD2 3.91Å |
| 248 | Q | 76.3 | Confident | 67.4 | Low | 119 Ų | 119 | 85.3 Ų | 85.3 | 56% | 0.556 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.8 | 166.6 | -173.8 | 178.8 | -14.3 | 0 | 0 | 109 | I215 L216 D250 | I215-Q248 CarbonylContact O-C 3.29Å; I215-Q248 VanDerWaalsContact O-CA 3.3Å; I215-Q248 WeakPolarHBondContact O-CA 3.49Å; L216-Q248 HydrophobicContact CD1-CB 4.13Å; L216-Q248 HydrophobicContact CD1-CG 4.13Å; Q248-D250 WeakPolarHBondContact CG-OD1 3.28Å; Q248-D250 PolarHBondContact NE2-OD1 2.05Å |
| 249 | R | 68.6 | Low | 67.4 | Low | 71 Ų | 71 | 84.1 Ų | 84.1 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 109.5 | 167.7 | -69.3 | -164.7 | 63.6 | -175.1 | -2.6 | 109.6 | I215 L247 D257 Y261 | I215-R249 HydrophobicContact CB-CB 4.18Å; I215-R249 HydrophobicContact CD1-CB 4.12Å; I215-R249 HydrophobicContact CG1-CB 4.4Å; I215-R249 PolarHBondContact N-O 2.78Å; I215-R249 PolarHBondContact O-N 3.4Å; L247-R249 HydrophobicContact CD1-CG 4.26Å; R249-D257 IonicContact CZ-OD1 2.72Å; R249-D257 IonicContact CZ-OD2 3.16Å; R249-D257 IonicContact NH1-OD1 2.83Å; R249-D257 PolarHBondContact NH1-OD1 2.6Å; R249-D257 IonicContact NH2-OD1 3.92Å; R249-D257 PolarHBondContact NH2-OD1 2.87Å; R249-D257 IonicContact NH2-OD2 2.64Å; R249-D257 PolarHBondContact NH2-OD2 2.96Å; R249-D257 VanDerWaalsContact NH2-OD2 3.11Å; R249-Y261 PolarHBondContact NH1-OH 2.96Å |
| 250 | D | 61.8 | Low | 67 | Low | 91 Ų | 91 | 77 Ų | 77 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -75.8 | 144.5 | 176.7 | -44 | -24.3 | 0 | 0 | 0 | 109.9 | D214 Q248 | D214-D250 WeakPolarHBondContact OD1-CA 3.44Å; Q248-D250 WeakPolarHBondContact CG-OD1 3.28Å; Q248-D250 PolarHBondContact NE2-OD1 2.05Å | ||
| 251 | Y | 52.8 | Low | 67.1 | Low | 152 Ų | 152 | 73.5 Ų | 73.5 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | trans | 52.2 | 78.1 | 175.9 | -57.1 | -88.7 | 0 | 0 | 0 | 116.8 | D214 T253 | D214-Y251 PolarHBondContact OD1-N 2.67Å; Y251-T253 PolarHBondContact O-N 3.03Å; Y251-T253 PolarHBondContact O-OG1 2.93Å | ||
| 252 | I | 51.6 | Low | 67.3 | Low | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | trans | -60.8 | 105.6 | 162.1 | -57.4 | -172.4 | 0 | 0 | 0 | 109 | V209 E211 G213 I215 D257 V281 | V209-I252 HydrophobicContact CB-CD1 3.66Å; V209-I252 HydrophobicContact CG1-CD1 3.63Å; V209-I252 HydrophobicContact CG1-CG1 4.23Å; V209-I252 HydrophobicContact CG2-CD1 3.85Å; E211-I252 CarbonylContact C-O 3.52Å; E211-I252 VanDerWaalsContact O-O 3.05Å; G213-I252 PolarHBondContact O-N 3.12Å; G213-I252 VanDerWaalsContact O-N 3.15Å; I215-I252 HydrophobicContact CD1-CD1 3.66Å; I215-I252 HydrophobicContact CD1-CG1 3.95Å; I215-I252 HydrophobicContact CG1-CD1 3.56Å; I215-I252 HydrophobicContact CG1-CG1 3.83Å; I252-D257 HydrophobicContact CG2-CB 4.07Å; I252-V281 HydrophobicContact CD1-CG1 3.63Å | ||
| 253 | T | 48.4 | Very low | 67.4 | Low | 89 Ų | 89 | 74 Ų | 74 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | trans | -123.7 | 2 | -174.5 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | Y251 | Y251-T253 PolarHBondContact O-N 3.03Å; Y251-T253 PolarHBondContact O-OG1 2.93Å | ||
| 254 | R | 50.5 | Low | 67.5 | Low | 180 Ų | 180 | 69 Ų | 69 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -148.6 | 142.9 | 178.1 | -63.1 | -173.6 | 178.4 | 179.5 | -0.7 | 112 | R256 D257 | R254-R256 PolarHBondContact O-N 2.73Å; R254-D257 WeakPolarHBondContact O-CB 3.19Å; R254-D257 PolarHBondContact O-N 2.91Å |
| 255 | Q | 48.3 | Very low | 67.5 | Low | 132 Ų | 132 | 66.7 Ų | 66.7 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -2.4 | 174.9 | -154.1 | 174.1 | 25 | 0 | 0 | 116.3 | E258 | Q255-E258 WeakPolarHBondContact CG-OE2 3.13Š|
| 256 | R | 54.6 | Low | 67.4 | Low | 210 Ų | 210 | 67 Ų | 67 | 79% | 0.792 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.9 | 172.3 | -58.1 | -174 | -172.5 | -145 | 0.9 | 113.3 | R254 | R254-R256 PolarHBondContact O-N 2.73Š|
| 257 | D | 57.9 | Low | 66.7 | Low | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -96 | -9.3 | 178.3 | -60.9 | -32.8 | 0 | 0 | 0 | 111.6 | R249 I252 R254 Y261 | R249-D257 IonicContact CZ-OD1 2.72Å; R249-D257 IonicContact CZ-OD2 3.16Å; R249-D257 IonicContact NH1-OD1 2.83Å; R249-D257 PolarHBondContact NH1-OD1 2.6Å; R249-D257 IonicContact NH2-OD1 3.92Å; R249-D257 PolarHBondContact NH2-OD1 2.87Å; R249-D257 IonicContact NH2-OD2 2.64Å; R249-D257 PolarHBondContact NH2-OD2 2.96Å; R249-D257 VanDerWaalsContact NH2-OD2 3.11Å; I252-D257 HydrophobicContact CG2-CB 4.07Å; R254-D257 WeakPolarHBondContact O-CB 3.19Å; R254-D257 PolarHBondContact O-N 2.91Å; D257-Y261 VanDerWaalsContact O-CE2 3.28Å; D257-Y261 WeakPolarHBondContact O-CE2 3.44Å; D257-Y261 PolarHBondContact O-OH 2.87Å |
| 258 | E | 57 | Low | 66.3 | Low | 33 Ų | 33 | 67.6 Ų | 67.6 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | trans | -65.3 | 154.7 | 157.2 | -62.2 | -160.6 | 102.7 | 0 | 0 | 110.9 | P236 Q255 V281 T282 Q283 R350 | P236-E258 WeakPolarHBondContact CG-O 3.23Å; Q255-E258 WeakPolarHBondContact CG-OE2 3.13Å; E258-V281 CarbonylContact C-O 3.41Å; E258-V281 WeakPolarHBondContact CA-O 3.06Å; E258-T282 VanDerWaalsContact OE1-CA 3.32Å; E258-T282 WeakPolarHBondContact OE1-CA 3.4Å; E258-Q283 HydrophobicContact CG-CB 3.8Å; E258-Q283 PolarHBondContact OE1-N 3.15Å; E258-R350 IonicContact OE1-CZ 3.74Å; E258-R350 IonicContact OE1-NH1 3.84Å; E258-R350 PolarHBondContact OE1-NH1 3.4Å; E258-R350 IonicContact OE2-NH1 2.78Å | ||
| 259 | G | 67.5 | Low | 65.5 | Low | 27 Ų | 27 | 66.8 Ų | 66.8 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.2 | -162.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V281 | G259-V281 PolarHBondContact N-O 3.3Å; G259-V281 PolarHBondContact O-N 2.58Å |
| 260 | I | 69.4 | Low | 64.9 | Low | 29 Ų | 29 | 73.1 Ų | 73.1 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.5 | -176 | -81.3 | -173.6 | 0 | 0 | 0 | 112.7 | G235 P236 R262 L279 I280 M345 | G235-I260 CarbonylContact C-O 3.46Å; P236-I260 WeakPolarHBondContact CA-O 3.33Å; I260-R262 HydrophobicContact CG2-CB 4.48Å; I260-L279 CarbonylContact C-O 3.58Å; I260-L279 WeakPolarHBondContact CA-O 3.31Å; I260-I280 HydrophobicContact CD1-CG1 4.02Å; I260-I280 HydrophobicContact CG1-CG1 3.67Å; I260-M345 HydrophobicContact CD1-CB 3.3Å; I260-M345 HydrophobicContact CD1-CG 4.26Å; I260-M345 HydrophobicContact CD1-SD 4.05Å; I260-M345 HydrophobicContact CG1-CB 4.03Å |
| 261 | Y | 80.2 | Confident | 64.4 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 105.5 | 166 | -65.8 | -106.3 | 0 | 0 | 0 | 108.3 | F234 P236 I241 L247 R249 D257 L279 V281 | F234-Y261 CarbonylContact O-C 3.45Å; F234-Y261 WeakPolarHBondContact O-CA 3.14Å; P236-Y261 HydrophobicContact CG-CD2 4.09Å; P236-Y261 HydrophobicContact CG-CE2 3.67Å; I241-Y261 HydrophobicContact CD1-CD1 3.49Å; I241-Y261 VanDerWaalsContact CD1-CD1 3.49Å; I241-Y261 HydrophobicContact CD1-CE1 3.46Å; I241-Y261 VanDerWaalsContact CD1-CE1 3.46Å; L247-Y261 HydrophobicContact CD1-CD1 3.77Å; L247-Y261 HydrophobicContact CD1-CE1 4.11Å; L247-Y261 HydrophobicContact CD2-CD1 3.5Å; L247-Y261 HydrophobicContact CD2-CE1 4.19Å; L247-Y261 HydrophobicContact CD2-CG 3.81Å; L247-Y261 HydrophobicContact CG-CD1 4.29Å; R249-Y261 PolarHBondContact NH1-OH 2.96Å; D257-Y261 VanDerWaalsContact O-CE2 3.28Å; D257-Y261 WeakPolarHBondContact O-CE2 3.44Å; D257-Y261 PolarHBondContact O-OH 2.87Å; Y261-L279 PolarHBondContact N-O 3.01Å; Y261-L279 PolarHBondContact O-N 2.98Å; Y261-V281 HydrophobicContact CD2-CB 4Å; Y261-V281 HydrophobicContact CD2-CG2 3.47Å; Y261-V281 VanDerWaalsContact CD2-CG2 3.47Å; Y261-V281 HydrophobicContact CE2-CB 3.76Å; Y261-V281 HydrophobicContact CE2-CG2 3.61Å; Y261-V281 HydrophobicContact CG-CG2 4.33Å |
| 262 | R | 80.8 | Confident | 64.7 | Low | 107 Ų | 107 | 68.3 Ų | 68.3 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.3 | -179.9 | -175.2 | -171.2 | -56.4 | 163.4 | 9.9 | 110.2 | F234 I260 V264 E276 N277 | F234-R262 HydrophobicContact CB-CB 4.43Å; F234-R262 PolarHBondContact N-O 2.92Å; F234-R262 PolarHBondContact O-N 3.01Å; I260-R262 HydrophobicContact CG2-CB 4.48Å; R262-V264 HydrophobicContact CG-CG2 4.05Å; R262-E276 WeakPolarHBondContact CD-OE1 3.1Å; R262-E276 HydrophobicContact CG-CB 4.4Å; R262-E276 IonicContact NE-OE1 3.64Å; R262-E276 IonicContact NH1-OE1 3.94Å; R262-N277 CarbonylContact C-O 3.59Å; R262-N277 WeakPolarHBondContact CA-O 3.45Å |
| 263 | C | 82.7 | Confident | 65.1 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.9 | 162.4 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | V197 F199 C219 W233 E276 N277 | V197-C263 HydrophobicContact CG1-CB 4.3Å; F199-C263 HydrophobicContact CE1-CB 4Å; F199-C263 HydrophobicContact CZ-CB 4.41Å; C219-C263 HydrophobicContact CB-CB 3.67Å; C219-C263 WeakPolarHBondContact CB-SG 3.29Å; C219-C263 WeakPolarHBondContact SG-CB 3.46Å; C219-C263 CovalentContact SG-SG 2.02Å; C219-C263 PolarHBondContact SG-SG 2.9Å; W233-C263 HydrophobicContact CD2-CB 3.86Å; W233-C263 HydrophobicContact CE3-CB 3.84Å; W233-C263 HydrophobicContact CH2-CB 4.28Å; W233-C263 HydrophobicContact CZ2-CB 4.27Å; W233-C263 HydrophobicContact CZ3-CB 4.04Å; C263-E276 CarbonylContact O-C 3.47Å; C263-E276 VanDerWaalsContact O-CA 3.23Å; C263-E276 WeakPolarHBondContact O-CA 3.45Å; C263-E276 WeakPolarHBondContact O-CB 3.49Å; C263-N277 PolarHBondContact N-O 3.46Å; C263-N277 PolarHBondContact O-N 2.81Å |
| 264 | V | 81.1 | Confident | 66.1 | Low | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.3 | 169.5 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | Q232 F234 R262 Q274 E276 | Q232-V264 HydrophobicContact CB-CB 4.45Å; Q232-V264 PolarHBondContact N-O 3.36Å; Q232-V264 PolarHBondContact O-N 3.46Å; F234-V264 HydrophobicContact CD2-CB 4.38Å; F234-V264 HydrophobicContact CD2-CG2 3.75Å; F234-V264 HydrophobicContact CE2-CB 3.94Å; F234-V264 HydrophobicContact CE2-CG2 3.6Å; R262-V264 HydrophobicContact CG-CG2 4.05Å; V264-Q274 VanDerWaalsContact CG1-CD 3.47Å; V264-Q274 HydrophobicContact CG1-CG 3.72Å; V264-Q274 VanDerWaalsContact CG1-NE2 3.27Å; V264-E276 HydrophobicContact CB-CB 4.42Å; V264-E276 HydrophobicContact CG2-CB 4.03Å |
| 265 | A | 82 | Confident | 66.9 | Low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 106.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V197 V221 Y229 N230 F231 V275 | V197-A265 HydrophobicContact CG2-CB 4.03Å; V221-A265 HydrophobicContact CG2-CB 3.38Å; Y229-A265 HydrophobicContact CD1-CB 3.85Å; Y229-A265 WeakPolarHBondContact CD1-O 3.4Å; Y229-A265 HydrophobicContact CG-CB 4.26Å; N230-A265 WeakPolarHBondContact O-CA 3.16Å; F231-A265 HydrophobicContact CD1-CB 4.34Å; F231-A265 HydrophobicContact CE1-CB 4.27Å; A265-V275 WeakPolarHBondContact CA-O 3.34Å; A265-V275 HydrophobicContact CB-CG2 4.06Å; A265-V275 PolarHBondContact N-O 3.13Å; A265-V275 PolarHBondContact O-N 2.65Å |
| 266 | S | 78.7 | Confident | 68.1 | Low | 29 Ų | 29 | 63.5 Ų | 63.5 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.5 | 179 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | Y229 N230 Q274 | Y229-S266 WeakPolarHBondContact CA-O 3.33Å; N230-S266 PolarHBondContact N-O 3.39Å; N230-S266 PolarHBondContact O-N 3.12Å; S266-Q274 VanDerWaalsContact OG-CD 3.32Å; S266-Q274 PolarHBondContact OG-OE1 2.87Å |
| 267 | P | 68.8 | Low | 68.7 | Low | 27 Ų | 27 | 53.8 Ų | 53.8 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146.2 | -179.1 | 28 | -34.8 | 0 | 0 | 0 | 111.3 | Q228 Y229 R272 | Q228-P267 WeakPolarHBondContact O-CA 3.37Å; Y229-P267 HydrophobicContact CD1-CB 4.12Å; Y229-P267 HydrophobicContact CE1-CB 3.8Å; Y229-P267 HydrophobicContact CE1-CG 4.25Å; P267-R272 HydrophobicContact CB-CB 3.71Å; P267-R272 HydrophobicContact CG-CB 3.79Å |
| 268 | V | 73.6 | Confident | 69.2 | Low | 88 Ų | 88 | 53.5 Ų | 53.5 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -76.8 | -24.1 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | Q228 | Q228-V268 PolarHBondContact O-N 3.42Š|
| 269 | E | 59.2 | Low | 70.1 | Confident | 103 Ų | 103 | 52 Ų | 52 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -102.2 | 140.1 | 175.8 | -67.9 | -175.4 | 97.3 | 0 | 0 | 112.5 | Q228 | Q228-E269 PolarHBondContact NE2-OE2 3.48Š|
| 270 | E | 55.5 | Low | 70.1 | Confident | 204 Ų | 204 | 51.5 Ų | 51.5 | 95% | 0.953 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 143 | 171.4 | -68 | -168.5 | 142.4 | 0 | 0 | 112 | ||
| 271 | G | 52.1 | Low | 70.2 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 81% | 0.814 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -16 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 272 | R | 58.4 | Low | 69.3 | Low | 63 Ų | 63 | 51.1 Ų | 51.1 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80 | 156.3 | 157.4 | -77.2 | -159.6 | -176.5 | 112.4 | 3.5 | 110.5 | P267 | P267-R272 HydrophobicContact CB-CB 3.71Å; P267-R272 HydrophobicContact CG-CB 3.79Å |
| 273 | L | 59.4 | Low | 68.2 | Low | 111 Ų | 111 | 46.5 Ų | 46.5 | 58% | 0.581 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 141 | 173.9 | -64.6 | 173.3 | 0 | 0 | 0 | 110.2 | ||
| 274 | Q | 69.6 | Low | 66.5 | Low | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 135.7 | 161 | 179.2 | 171.4 | -55.2 | 0 | 0 | 109.3 | V264 S266 | V264-Q274 VanDerWaalsContact CG1-CD 3.47Å; V264-Q274 HydrophobicContact CG1-CG 3.72Å; V264-Q274 VanDerWaalsContact CG1-NE2 3.27Å; S266-Q274 VanDerWaalsContact OG-CD 3.32Å; S266-Q274 PolarHBondContact OG-OE1 2.87Å |
| 275 | V | 68.8 | Low | 64.7 | Low | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.4 | 179.3 | -65.8 | 0 | 0 | 0 | 0 | 108.9 | A195 V197 V221 Y229 A265 | A195-V275 HydrophobicContact CB-CG1 4.13Å; A195-V275 WeakPolarHBondContact O-CG1 3.12Å; V197-V275 HydrophobicContact CG2-CG2 4.07Å; V221-V275 HydrophobicContact CG1-CG2 4.09Å; V221-V275 HydrophobicContact CG2-CG2 4.29Å; Y229-V275 HydrophobicContact CD1-CG2 4.36Å; Y229-V275 HydrophobicContact CE1-CG2 3.84Å; A265-V275 WeakPolarHBondContact CA-O 3.34Å; A265-V275 HydrophobicContact CB-CG2 4.06Å; A265-V275 PolarHBondContact N-O 3.13Å; A265-V275 PolarHBondContact O-N 2.65Å |
| 276 | E | 72.1 | Confident | 62.7 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.9 | -177 | 59.5 | 175.6 | -127.7 | 0 | 0 | 110.8 | R262 C263 V264 | R262-E276 WeakPolarHBondContact CD-OE1 3.1Å; R262-E276 HydrophobicContact CG-CB 4.4Å; R262-E276 IonicContact NE-OE1 3.64Å; R262-E276 IonicContact NH1-OE1 3.94Å; C263-E276 CarbonylContact O-C 3.47Å; C263-E276 VanDerWaalsContact O-CA 3.23Å; C263-E276 WeakPolarHBondContact O-CA 3.45Å; C263-E276 WeakPolarHBondContact O-CB 3.49Å; V264-E276 HydrophobicContact CB-CB 4.42Å; V264-E276 HydrophobicContact CG2-CB 4.03Å |
| 277 | N | 68.5 | Low | 60.8 | Low | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.8 | 171.2 | -169.8 | 11.9 | 0 | 0 | 0 | 109.8 | V197 F199 N205 R262 C263 T328 | V197-N277 HydrophobicContact CB-CB 3.59Å; V197-N277 HydrophobicContact CG1-CB 3.74Å; V197-N277 WeakPolarHBondContact O-CB 3.35Å; V197-N277 PolarHBondContact O-ND2 2.85Å; F199-N277 HydrophobicContact CE2-CB 4.15Å; F199-N277 WeakPolarHBondContact CE2-ND2 3.41Å; F199-N277 HydrophobicContact CZ-CB 4Å; N205-N277 PolarHBondContact ND2-ND2 2.89Å; N205-N277 PolarHBondContact ND2-OD1 2.83Å; N205-N277 PolarHBondContact OD1-ND2 2.93Å; R262-N277 CarbonylContact C-O 3.59Å; R262-N277 WeakPolarHBondContact CA-O 3.45Å; C263-N277 PolarHBondContact N-O 3.46Å; C263-N277 PolarHBondContact O-N 2.81Å; N277-T328 VanDerWaalsContact OD1-CG2 3.26Å; N277-T328 WeakPolarHBondContact OD1-CG2 3.1Å |
| 278 | S | 68.9 | Low | 59.1 | Low | 21 Ų | 21 | 71.7 Ų | 71.7 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 110.5 | -171.6 | -69 | 0 | 0 | 0 | 0 | 111.4 | N205 | N205-S278 PolarHBondContact ND2-O 2.83Å |
| 279 | L | 75.5 | Confident | 57.3 | Low | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128 | 168.7 | 178.2 | 73.4 | 0 | 0 | 0 | 108.6 | F199 I202 L207 Q217 W233 L247 I260 Y261 V281 | F199-L279 HydrophobicContact CB-CD1 4.46Å; F199-L279 HydrophobicContact CD2-CB 4.15Å; F199-L279 HydrophobicContact CD2-CD1 4.04Å; F199-L279 HydrophobicContact CE1-CB 4.25Å; F199-L279 HydrophobicContact CE2-CB 3.82Å; F199-L279 HydrophobicContact CG-CB 4.5Å; F199-L279 HydrophobicContact CG-CD1 4.17Å; F199-L279 HydrophobicContact CZ-CB 3.87Å; I202-L279 HydrophobicContact CD1-CD1 3.34Å; L207-L279 HydrophobicContact CB-CD1 4.29Å; Q217-L279 HydrophobicContact CB-CD2 4.17Å; Q217-L279 HydrophobicContact CG-CD2 3.97Å; W233-L279 HydrophobicContact CH2-CB 4.09Å; W233-L279 HydrophobicContact CH2-CD2 3.94Å; W233-L279 HydrophobicContact CZ3-CB 3.86Å; W233-L279 HydrophobicContact CZ3-CD2 4.09Å; L247-L279 HydrophobicContact CD2-CD2 3.91Å; I260-L279 CarbonylContact C-O 3.58Å; I260-L279 WeakPolarHBondContact CA-O 3.31Å; Y261-L279 PolarHBondContact N-O 3.01Å; Y261-L279 PolarHBondContact O-N 2.98Å; L279-V281 HydrophobicContact CD2-CG2 3.87Å; L279-V281 HydrophobicContact CG-CG2 4.1Å |
| 280 | I | 67.4 | Low | 56.1 | Low | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.087 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115.8 | 174.8 | -59.9 | 138 | 0 | 0 | 0 | 106.7 | N205 V206 L207 I260 T282 | N205-I280 HydrophobicContact CB-CD1 4.29Å; N205-I280 PolarHBondContact O-N 2.69Å; V206-I280 CarbonylContact C-O 3.55Å; V206-I280 WeakPolarHBondContact CA-O 3.13Å; V206-I280 HydrophobicContact CG2-CB 4.31Å; V206-I280 HydrophobicContact CG2-CD1 4.07Å; L207-I280 PolarHBondContact N-O 2.66Å; I260-I280 HydrophobicContact CD1-CG1 4.02Å; I260-I280 HydrophobicContact CG1-CG1 3.67Å; I280-T282 HydrophobicContact CG2-CG2 4.18Å |
| 281 | V | 70 | Confident | 55.4 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.6 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | L207 V209 I215 I252 E258 G259 Y261 L279 | L207-V281 HydrophobicContact CB-CG2 4.41Å; L207-V281 HydrophobicContact CD2-CG2 4.45Å; L207-V281 WeakPolarHBondContact O-CA 3.12Å; V209-V281 HydrophobicContact CG2-CG1 3.95Å; I215-V281 HydrophobicContact CD1-CG1 3.9Å; I215-V281 HydrophobicContact CD1-CG2 4.15Å; I215-V281 HydrophobicContact CG1-CG1 4.36Å; I252-V281 HydrophobicContact CD1-CG1 3.63Å; E258-V281 CarbonylContact C-O 3.41Å; E258-V281 WeakPolarHBondContact CA-O 3.06Å; G259-V281 PolarHBondContact N-O 3.3Å; G259-V281 PolarHBondContact O-N 2.58Å; Y261-V281 HydrophobicContact CD2-CB 4Å; Y261-V281 HydrophobicContact CD2-CG2 3.47Å; Y261-V281 VanDerWaalsContact CD2-CG2 3.47Å; Y261-V281 HydrophobicContact CE2-CB 3.76Å; Y261-V281 HydrophobicContact CE2-CG2 3.61Å; Y261-V281 HydrophobicContact CG-CG2 4.33Å; L279-V281 HydrophobicContact CD2-CG2 3.87Å; L279-V281 HydrophobicContact CG-CG2 4.1Å |
| 282 | T | 61.5 | Low | 55.1 | Low | 21 Ų | 21 | 62.9 Ų | 62.9 | 13% | 0.129 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.1 | 179.3 | 44.1 | 0 | 0 | 0 | 0 | 111 | L207 E208 V209 E258 I280 | L207-T282 PolarHBondContact O-N 2.91Å; E208-T282 CarbonylContact C-O 3.51Å; E208-T282 WeakPolarHBondContact CA-O 3.33Å; V209-T282 PolarHBondContact N-O 2.89Å; E258-T282 VanDerWaalsContact OE1-CA 3.32Å; E258-T282 WeakPolarHBondContact OE1-CA 3.4Å; I280-T282 HydrophobicContact CG2-CG2 4.18Å |
| 283 | Q | 58.5 | Low | 54.7 | Low | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 143.2 | 175.9 | -163.2 | 164.1 | -15.5 | 0 | 0 | 109.1 | V209 E258 R350 | V209-Q283 WeakPolarHBondContact O-CA 3.26Å; E258-Q283 HydrophobicContact CG-CB 3.8Å; E258-Q283 PolarHBondContact OE1-N 3.15Å; Q283-R350 PolarHBondContact O-NH1 3.25Å; Q283-R350 PolarHBondContact O-NH2 3.46Å |
| 284 | H | 47.2 | Very low | 54.6 | Low | 66 Ų | 66 | 56.7 Ų | 56.7 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | trans | -103.2 | 87.2 | -179.5 | -164.2 | 69.4 | 0 | 0 | 0 | 111 | V209 F286 | V209-H284 PolarHBondContact O-N 2.59Å; H284-F286 AromaticContact CD2-CE2 3.69Å; H284-F286 AromaticContact CD2-CZ 3.84Å | ||
| 285 | D | 43.9 | Very low | 53.9 | Low | 87 Ų | 87 | 52.5 Ų | 52.5 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | trans | -68.6 | 126.9 | -179.9 | -86.8 | -12.3 | 0 | 0 | 0 | 112.5 | ||||
| 286 | F | 39.6 | Very low | 53.5 | Low | 170 Ų | 170 | 52.5 Ų | 52.5 | 75% | 0.746 | 27% | 0.27 | S | S | * | . | trans | -94 | 21.7 | 173.3 | -82.1 | -82.8 | 0 | 0 | 0 | 113.5 | L210 H284 | L210-F286 HydrophobicContact CD2-CE2 4.23Å; H284-F286 AromaticContact CD2-CE2 3.69Å; H284-F286 AromaticContact CD2-CZ 3.84Å | ||
| 287 | S | 37.7 | Very low | 52.6 | Low | 68 Ų | 68 | 49.8 Ų | 49.8 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | trans | -95.4 | 138.7 | -177.5 | 85.4 | 0 | 0 | 0 | 0 | 113 | N289 | S287-N289 PolarHBondContact O-N 3.2Š| ||
| 288 | E | 33.8 | Very low | 51.9 | Low | 200 Ų | 200 | 50.9 Ų | 50.9 | 94% | 0.935 | 27% | 0.266 | S | S | * | . | trans | -74.5 | 30.8 | -171.2 | -58 | -178.2 | 130 | 0 | 0 | 115 | ||||
| 289 | N | 35.1 | Very low | 51 | Low | 127 Ų | 127 | 55.4 Ų | 55.4 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | trans | -91.7 | 126 | 172.1 | -70.2 | -66.3 | 0 | 0 | 0 | 110.2 | S287 A291 | S287-N289 PolarHBondContact O-N 3.2Å; N289-A291 VanDerWaalsContact C-N 3.26Å; N289-A291 PolarHBondContact O-N 2.66Å | ||
| 290 | I | 34.5 | Very low | 49.6 | Very low | 97 Ų | 97 | 61.8 Ų | 61.8 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | trans | -78.7 | 73 | -174.2 | -48.9 | 174.3 | 0 | 0 | 0 | 111 | L292 V390 | I290-L292 HydrophobicContact CG2-CD2 4.47Å; I290-V390 HydrophobicContact CB-CG2 4.43Å; I290-V390 HydrophobicContact CG2-CG2 3.97Å | ||
| 291 | A | 41.3 | Very low | 48.7 | Very low | 45 Ų | 45 | 65.5 Ų | 65.5 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | trans | -72.8 | 122 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N289 R293 N352 | N289-A291 VanDerWaalsContact C-N 3.26Å; N289-A291 PolarHBondContact O-N 2.66Å; A291-R293 PolarHBondContact O-N 2.88Å; A291-N352 VanDerWaalsContact CB-OD1 3.3Å; A291-N352 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 292 | L | 46.5 | Very low | 47.4 | Very low | 20 Ų | 20 | 68.2 Ų | 68.2 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.7 | 177.8 | -78.9 | -170.2 | 0 | 0 | 0 | 111 | I290 F294 L315 R350 I351 F353 V390 | I290-L292 HydrophobicContact CG2-CD2 4.47Å; L292-F294 HydrophobicContact CB-CD2 4.13Å; L292-F294 HydrophobicContact CB-CE2 3.52Å; L292-F294 HydrophobicContact CB-CZ 4.26Å; L292-F294 HydrophobicContact CD1-CE2 3.78Å; L292-F294 HydrophobicContact CD1-CZ 3.65Å; L292-F294 HydrophobicContact CG-CE2 4.33Å; L292-L315 HydrophobicContact CD1-CD1 4.47Å; L292-L315 HydrophobicContact CD1-CD2 4.34Å; L292-L315 HydrophobicContact CD2-CD2 3.74Å; L292-L315 HydrophobicContact CD2-CG 4.27Å; L292-R350 WeakPolarHBondContact O-CA 3.45Å; L292-I351 PolarHBondContact N-O 2.77Å; L292-I351 PolarHBondContact O-N 2.8Å; L292-F353 HydrophobicContact CB-CE2 4.05Å; L292-F353 HydrophobicContact CB-CZ 4.28Å; L292-F353 HydrophobicContact CD1-CE2 4.11Å; L292-F353 HydrophobicContact CD1-CZ 4.21Å; L292-F353 HydrophobicContact CG-CE2 3.98Å; L292-F353 HydrophobicContact CG-CZ 4.44Å; L292-V390 HydrophobicContact CD1-CB 3.8Å; L292-V390 HydrophobicContact CD1-CG1 3.44Å; L292-V390 VanDerWaalsContact CD1-CG1 3.44Å; L292-V390 HydrophobicContact CD2-CB 4.12Å; L292-V390 HydrophobicContact CG-CB 3.85Å; L292-V390 HydrophobicContact CG-CG1 3.93Å; L292-V390 HydrophobicContact CG-CG2 4.46Å |
| 293 | R | 50 | Low | 46.4 | Very low | 38 Ų | 38 | 73.5 Ų | 73.5 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 106.9 | 169.6 | -176.4 | 175.7 | 174.8 | -105.2 | -1.8 | 110.3 | A291 V316 N322 D348 L349 | A291-R293 PolarHBondContact O-N 2.88Å; R293-V316 PolarHBondContact O-N 2.68Å; R293-V316 VanDerWaalsContact O-N 3.14Å; R293-N322 PolarHBondContact NH2-OD1 3.36Å; R293-D348 HydrophobicContact CG-CB 4.32Å; R293-D348 IonicContact CZ-OD1 3.69Å; R293-D348 IonicContact CZ-OD2 2.68Å; R293-D348 IonicContact NE-OD1 3.79Å; R293-D348 IonicContact NE-OD2 2.81Å; R293-D348 PolarHBondContact NE-OD2 3.07Å; R293-D348 IonicContact NH2-OD1 3.88Å; R293-D348 PolarHBondContact NH2-OD1 2.82Å; R293-D348 IonicContact NH2-OD2 2.68Å; R293-D348 PolarHBondContact NH2-OD2 2.97Å; R293-L349 WeakPolarHBondContact CA-O 3.26Å |
| 294 | F | 55.7 | Low | 45.6 | Very low | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.6 | 170.7 | -57.6 | -110.6 | 0 | 0 | 0 | 109.6 | L292 I313 I314 L315 W333 D348 L349 T379 I381 | L292-F294 HydrophobicContact CB-CD2 4.13Å; L292-F294 HydrophobicContact CB-CE2 3.52Å; L292-F294 HydrophobicContact CB-CZ 4.26Å; L292-F294 HydrophobicContact CD1-CE2 3.78Å; L292-F294 HydrophobicContact CD1-CZ 3.65Å; L292-F294 HydrophobicContact CG-CE2 4.33Å; F294-I313 HydrophobicContact CB-CG2 3.93Å; F294-I313 HydrophobicContact CD1-CG2 4.25Å; F294-I314 CarbonylContact C-O 3.57Å; F294-I314 WeakPolarHBondContact CA-O 3.49Å; F294-L315 HydrophobicContact CD1-CD1 3.52Å; F294-L315 HydrophobicContact CE1-CD1 3.26Å; F294-L315 HydrophobicContact CE2-CD1 4.42Å; F294-L315 HydrophobicContact CG-CD1 4.2Å; F294-L315 HydrophobicContact CZ-CD1 3.75Å; F294-W333 HydrophobicContact CB-CH2 4.28Å; F294-D348 CarbonylContact O-C 3.54Å; F294-D348 VanDerWaalsContact O-CA 3.27Å; F294-D348 WeakPolarHBondContact O-CA 3.12Å; F294-L349 HydrophobicContact CB-CB 4.2Å; F294-L349 HydrophobicContact CD2-CD2 4.14Å; F294-L349 HydrophobicContact CD2-CG 4.42Å; F294-L349 PolarHBondContact N-O 3.06Å; F294-L349 PolarHBondContact O-N 3.29Å; F294-T379 HydrophobicContact CD1-CG2 3.94Å; F294-T379 HydrophobicContact CE1-CG2 4.11Å; F294-I381 HydrophobicContact CD2-CD1 4.24Å; F294-I381 HydrophobicContact CE1-CD1 4.31Å; F294-I381 HydrophobicContact CE1-CG1 4.11Å; F294-I381 HydrophobicContact CE2-CD1 3.4Å; F294-I381 VanDerWaalsContact CE2-CD1 3.4Å; F294-I381 HydrophobicContact CE2-CG1 4.04Å; F294-I381 HydrophobicContact CZ-CD1 3.46Å; F294-I381 VanDerWaalsContact CZ-CD1 3.46Å; F294-I381 HydrophobicContact CZ-CG1 3.53Å; F294-I381 HydrophobicContact CZ-CG2 4.31Å |
| 295 | Q | 56.3 | Low | 45.3 | Very low | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.9 | -177.7 | -179.1 | 168.6 | 23.2 | 0 | 0 | 111.8 | I314 V316 N322 D348 | Q295-I314 PolarHBondContact N-O 3.47Å; Q295-I314 WeakPolarHBondContact O-CG1 3.47Å; Q295-I314 PolarHBondContact O-N 3.04Å; Q295-V316 HydrophobicContact CB-CB 4.39Å; Q295-V316 HydrophobicContact CB-CG2 3.77Å; Q295-N322 PolarHBondContact NE2-OD1 2.93Å; Q295-N322 PolarHBondContact OE1-OD1 2.92Å; Q295-N322 VanDerWaalsContact OE1-OD1 3.13Å; Q295-D348 WeakPolarHBondContact CB-OD1 3.47Å; Q295-D348 WeakPolarHBondContact CG-OD1 3.46Å |
| 296 | I | 60.6 | Low | 44.7 | Very low | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.046 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.1 | 173.6 | -59.4 | 155.3 | 0 | 0 | 0 | 110.1 | R311 R312 I313 Y331 W333 P347 V364 I366 L377 | I296-R311 HydrophobicContact CG2-CB 4.38Å; I296-R311 HydrophobicContact CG2-CG 4.5Å; I296-R312 WeakPolarHBondContact CA-O 3.42Å; I296-I313 HydrophobicContact CG1-CG1 4.03Å; I296-Y331 HydrophobicContact CB-CE1 4.47Å; I296-Y331 HydrophobicContact CD1-CD1 3.37Å; I296-Y331 HydrophobicContact CD1-CE1 3.54Å; I296-Y331 HydrophobicContact CD1-CG 4.45Å; I296-W333 HydrophobicContact CD1-CH2 4.44Å; I296-W333 HydrophobicContact CD1-CZ2 3.72Å; I296-W333 HydrophobicContact CG1-CH2 4.35Å; I296-W333 HydrophobicContact CG1-CZ2 3.93Å; I296-P347 PolarHBondContact N-O 2.89Å; I296-V364 HydrophobicContact CD1-CG1 3.85Å; I296-V364 HydrophobicContact CD1-CG2 3.99Å; I296-V364 HydrophobicContact CG1-CG1 4.46Å; I296-I366 HydrophobicContact CD1-CD1 3.96Å; I296-I366 HydrophobicContact CD1-CG1 4.31Å; I296-I366 HydrophobicContact CG2-CD1 3.85Å; I296-L377 HydrophobicContact CG2-CD1 4.2Å |
| 297 | T | 52.8 | Low | 44.5 | Very low | 21 Ų | 21 | 74.2 Ų | 74.2 | 13% | 0.129 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.1 | -179.8 | 46 | 0 | 0 | 0 | 0 | 112.7 | R311 R312 I314 | T297-R311 CarbonylContact O-C 3.58Å; T297-R311 VanDerWaalsContact O-CA 3.25Å; T297-R311 WeakPolarHBondContact O-CA 3.16Å; T297-R312 PolarHBondContact N-O 3.38Å; T297-R312 PolarHBondContact O-N 2.94Å; T297-R312 PolarHBondContact OG1-O 3.16Å; T297-I314 HydrophobicContact CG2-CD1 3.71Å; T297-I314 HydrophobicContact CG2-CG1 4.12Å |
| 298 | T | 52.7 | Low | 44.9 | Very low | 29 Ų | 29 | 71.4 Ų | 71.4 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 152.9 | 171.3 | 27.8 | 0 | 0 | 0 | 0 | 112.3 | F308 R311 T325 | T298-F308 HydrophobicContact CG2-CD1 3.48Å; T298-F308 VanDerWaalsContact CG2-CD1 3.48Å; T298-F308 HydrophobicContact CG2-CE1 3.85Å; T298-F308 HydrophobicContact CG2-CG 4.05Å; T298-R311 HydrophobicContact CG2-CG 3.57Å; T298-T325 HydrophobicContact CG2-CG2 3.45Å; T298-T325 VanDerWaalsContact CG2-CG2 3.45Å; T298-T325 VanDerWaalsContact OG1-CG2 3.28Å; T298-T325 WeakPolarHBondContact OG1-CG2 3.33Å |
| 299 | L | 50.4 | Low | 45.4 | Very low | 115 Ų | 115 | 64.9 Ų | 64.9 | 60% | 0.602 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -32.8 | 179.3 | -60.8 | 174.1 | 0 | 0 | 0 | 113.1 | H310 | L299-H310 HydrophobicContact CB-CB 4.46Å; L299-H310 HydrophobicContact CD1-CB 4.45Å; L299-H310 PolarHBondContact N-O 3Å |
| 300 | E | 46.2 | Very low | 45.9 | Very low | 134 Ų | 134 | 64.3 Ų | 64.3 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 153.8 | -175.3 | -156.1 | 166.7 | -140 | 0 | 0 | 111.5 | F308 | E300-F308 WeakPolarHBondContact O-CD1 3.47Å |
| 301 | E | 48.1 | Very low | 46.8 | Very low | 95 Ų | 95 | 60.9 Ų | 60.9 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | trans | -136.6 | 137.6 | -173.7 | -173.3 | 171 | -176.1 | 0 | 0 | 111.5 | F308 | E301-F308 HydrophobicContact CB-CD1 3.92Å; E301-F308 HydrophobicContact CB-CE1 3.61Å; E301-F308 HydrophobicContact CB-CZ 4.38Å; E301-F308 VanDerWaalsContact CD-CE1 3.46Å; E301-F308 HydrophobicContact CG-CD1 4.03Å; E301-F308 HydrophobicContact CG-CE1 3.51Å; E301-F308 HydrophobicContact CG-CZ 3.77Å; E301-F308 WeakPolarHBondContact OE1-CZ 3.35Å | ||
| 302 | D | 43.7 | Very low | 47.4 | Very low | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | trans | -130.9 | 125.1 | 169.7 | -177.7 | -0.1 | 0 | 0 | 0 | 109.5 | N304 | D302-N304 WeakPolarHBondContact OD1-CB 3.34Å; D302-N304 PolarHBondContact OD1-N 2.82Å; D302-N304 PolarHBondContact OD1-ND2 3.07Å | ||
| 303 | L | 39.8 | Very low | 47.8 | Very low | 133 Ų | 133 | 65.9 Ų | 65.9 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -79.5 | -17.6 | -177.3 | -68.1 | 165.6 | 0 | 0 | 0 | 113.1 | ||
| 304 | N | 42.7 | Very low | 47.8 | Very low | 152 Ų | 152 | 66.3 Ų | 66.3 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -79.3 | -18.6 | -174.8 | -59.8 | -81.6 | 0 | 0 | 0 | 113.6 | D302 | D302-N304 WeakPolarHBondContact OD1-CB 3.34Å; D302-N304 PolarHBondContact OD1-N 2.82Å; D302-N304 PolarHBondContact OD1-ND2 3.07Å |
| 305 | I | 39.5 | Very low | 47.3 | Very low | 126 Ų | 126 | 69.8 Ų | 69.8 | 65% | 0.646 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -107.3 | 3.5 | -178.7 | -32.9 | -178.3 | 0 | 0 | 0 | 111.3 | G307 | I305-G307 PolarHBondContact O-N 2.04Š|
| 306 | G | 31.7 | Very low | 46.7 | Very low | 52 Ų | 52 | 70.3 Ų | 70.3 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 8.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S371 | G306-S371 VanDerWaalsContact O-CB 3.29Å; G306-S371 WeakPolarHBondContact O-CB 3.49Å |
| 307 | G | 36.4 | Very low | 45.8 | Very low | 18 Ų | 18 | 75.3 Ų | 75.3 | 19% | 0.186 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 175.4 | 145 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I305 | I305-G307 PolarHBondContact O-N 2.04Š|
| 308 | F | 45.2 | Very low | 45.1 | Very low | 9 Ų | 9 | 78.9 Ų | 78.9 | 4% | 0.039 | 42% | 0.423 | C | S | . | . | trans | -38.3 | 143.2 | 179.8 | -59.1 | -92.5 | 0 | 0 | 0 | 117.3 | T298 E300 E301 T325 E327 F329 Y373 | T298-F308 HydrophobicContact CG2-CD1 3.48Å; T298-F308 VanDerWaalsContact CG2-CD1 3.48Å; T298-F308 HydrophobicContact CG2-CE1 3.85Å; T298-F308 HydrophobicContact CG2-CG 4.05Å; E300-F308 WeakPolarHBondContact O-CD1 3.47Å; E301-F308 HydrophobicContact CB-CD1 3.92Å; E301-F308 HydrophobicContact CB-CE1 3.61Å; E301-F308 HydrophobicContact CB-CZ 4.38Å; E301-F308 VanDerWaalsContact CD-CE1 3.46Å; E301-F308 HydrophobicContact CG-CD1 4.03Å; E301-F308 HydrophobicContact CG-CE1 3.51Å; E301-F308 HydrophobicContact CG-CZ 3.77Å; E301-F308 WeakPolarHBondContact OE1-CZ 3.35Å; F308-T325 HydrophobicContact CD1-CG2 4.38Å; F308-T325 HydrophobicContact CE1-CG2 3.62Å; F308-T325 HydrophobicContact CE2-CG2 4.17Å; F308-T325 HydrophobicContact CZ-CG2 3.52Å; F308-E327 HydrophobicContact CD2-CB 4.35Å; F308-E327 HydrophobicContact CE2-CB 3.78Å; F308-F329 HydrophobicContact CD2-CE2 4.35Å; F308-F329 AromaticContact CD2-CZ 3.88Å; F308-F329 HydrophobicContact CD2-CZ 3.88Å; F308-F329 HydrophobicContact CE2-CE2 4.39Å; F308-F329 HydrophobicContact CE2-CZ 4.31Å; F308-Y373 WeakPolarHBondContact O-CE2 3.43Å | ||
| 309 | T | 44.4 | Very low | 44.3 | Very low | 64 Ų | 64 | 81.4 Ų | 81.4 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -87 | -38.7 | 175.7 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 310 | H | 44.8 | Very low | 43.5 | Very low | 114 Ų | 114 | 81 Ų | 81 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137.2 | -170.9 | -60.3 | 99.9 | 0 | 0 | 0 | 115.3 | L299 | L299-H310 HydrophobicContact CB-CB 4.46Å; L299-H310 HydrophobicContact CD1-CB 4.45Å; L299-H310 PolarHBondContact N-O 3Å |
| 311 | R | 54.9 | Low | 43 | Very low | 26 Ų | 26 | 80.7 Ų | 80.7 | 10% | 0.098 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 158.2 | 175 | -81.7 | -178 | 169.1 | -124.1 | -3.3 | 111.4 | I296 T297 T298 T325 F329 Y331 L377 | I296-R311 HydrophobicContact CG2-CB 4.38Å; I296-R311 HydrophobicContact CG2-CG 4.5Å; T297-R311 CarbonylContact O-C 3.58Å; T297-R311 VanDerWaalsContact O-CA 3.25Å; T297-R311 WeakPolarHBondContact O-CA 3.16Å; T298-R311 HydrophobicContact CG2-CG 3.57Å; R311-T325 PolarHBondContact NH2-OG1 3.19Å; R311-F329 VanDerWaalsContact NH2-CD2 3.32Å; R311-Y331 PolarHBondContact NH1-OH 3.22Å; R311-L377 HydrophobicContact CB-CD1 4.24Å |
| 312 | R | 53 | Low | 42.5 | Very low | 140 Ų | 140 | 78.8 Ų | 78.8 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.4 | 171.4 | 65.3 | 177.5 | -66.8 | -169.5 | -2.5 | 112.5 | I296 T297 I314 | I296-R312 WeakPolarHBondContact CA-O 3.42Å; T297-R312 PolarHBondContact N-O 3.38Å; T297-R312 PolarHBondContact O-N 2.94Å; T297-R312 PolarHBondContact OG1-O 3.16Å; R312-I314 HydrophobicContact CG-CG2 4.32Å; R312-I314 VanDerWaalsContact NE-CG2 3.32Å |
| 313 | I | 54.7 | Low | 42.1 | Very low | 29 Ų | 29 | 82.9 Ų | 82.9 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.1 | 165.8 | -57.8 | 164.2 | 0 | 0 | 0 | 108.7 | F294 I296 W333 V364 L377 | F294-I313 HydrophobicContact CB-CG2 3.93Å; F294-I313 HydrophobicContact CD1-CG2 4.25Å; I296-I313 HydrophobicContact CG1-CG1 4.03Å; I313-W333 HydrophobicContact CD1-CH2 4.05Å; I313-W333 HydrophobicContact CD1-CZ3 4.16Å; I313-W333 HydrophobicContact CG1-CH2 4.26Å; I313-W333 HydrophobicContact CG2-CH2 4.15Å; I313-V364 HydrophobicContact CD1-CG1 3.97Å; I313-L377 HydrophobicContact CD1-CB 3.89Å; I313-L377 HydrophobicContact CG1-CB 4.3Å; I313-L377 HydrophobicContact CG1-CD1 4.18Å |
| 314 | I | 50.2 | Low | 42.2 | Very low | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.7 | 172.2 | 50.4 | 169.7 | 0 | 0 | 0 | 111 | F294 Q295 T297 R312 V316 | F294-I314 CarbonylContact C-O 3.57Å; F294-I314 WeakPolarHBondContact CA-O 3.49Å; Q295-I314 PolarHBondContact N-O 3.47Å; Q295-I314 WeakPolarHBondContact O-CG1 3.47Å; Q295-I314 PolarHBondContact O-N 3.04Å; T297-I314 HydrophobicContact CG2-CD1 3.71Å; T297-I314 HydrophobicContact CG2-CG1 4.12Å; R312-I314 HydrophobicContact CG-CG2 4.32Å; R312-I314 VanDerWaalsContact NE-CG2 3.32Å; I314-V316 HydrophobicContact CD1-CG2 3.64Å; I314-V316 HydrophobicContact CG1-CG2 3.77Å |
| 315 | L | 45.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 74.2 Ų | 74.2 | 41% | 0.408 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.8 | 157.1 | -101.9 | 69.2 | 0 | 0 | 0 | 108.6 | L292 F294 | L292-L315 HydrophobicContact CD1-CD1 4.47Å; L292-L315 HydrophobicContact CD1-CD2 4.34Å; L292-L315 HydrophobicContact CD2-CD2 3.74Å; L292-L315 HydrophobicContact CD2-CG 4.27Å; F294-L315 HydrophobicContact CD1-CD1 3.52Å; F294-L315 HydrophobicContact CE1-CD1 3.26Å; F294-L315 HydrophobicContact CE2-CD1 4.42Å; F294-L315 HydrophobicContact CG-CD1 4.2Å; F294-L315 HydrophobicContact CZ-CD1 3.75Å |
| 316 | V | 43.5 | Very low | 42.6 | Very low | 27 Ų | 27 | 78.5 Ų | 78.5 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | trans | -130.6 | 112 | 172.5 | 180 | 0 | 0 | 0 | 0 | 109.7 | R293 Q295 I314 | R293-V316 PolarHBondContact O-N 2.68Å; R293-V316 VanDerWaalsContact O-N 3.14Å; Q295-V316 HydrophobicContact CB-CB 4.39Å; Q295-V316 HydrophobicContact CB-CG2 3.77Å; I314-V316 HydrophobicContact CD1-CG2 3.64Å; I314-V316 HydrophobicContact CG1-CG2 3.77Å | ||
| 317 | D | 42 | Very low | 43.3 | Very low | 114 Ų | 114 | 77.1 Ų | 77.1 | 61% | 0.61 | 40% | 0.404 | S | S | * | . | trans | -62.2 | 143.8 | 166.1 | 172.1 | 41.9 | 0 | 0 | 0 | 110.4 | S319 | D317-S319 PolarHBondContact O-N 3.06Å; D317-S319 PolarHBondContact OD2-OG 3.07Å | ||
| 318 | S | 37.5 | Very low | 43.9 | Very low | 97 Ų | 97 | 77.2 Ų | 77.2 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -0.3 | -167.8 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 319 | S | 36.1 | Very low | 44.4 | Very low | 82 Ų | 82 | 77.4 Ų | 77.4 | 57% | 0.573 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.5 | -169.4 | 65.3 | 0 | 0 | 0 | 0 | 115.8 | D317 | D317-S319 PolarHBondContact O-N 3.06Å; D317-S319 PolarHBondContact OD2-OG 3.07Å |
| 320 | K | 32.8 | Very low | 45.2 | Very low | 105 Ų | 105 | 78.5 Ų | 78.5 | 46% | 0.457 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -130.5 | 137.7 | -175.5 | -63.3 | -175.5 | -171.1 | 177.7 | 0 | 113.8 | D785 | K320-D785 IonicContact NZ-OD1 3.87Å; K320-D785 PolarHBondContact NZ-OD1 3.32Å; K320-D785 IonicContact NZ-OD2 3.07Å; K320-D785 PolarHBondContact NZ-OD2 2.98Å |
| 321 | P | 37.2 | Very low | 46.1 | Very low | 128 Ų | 128 | 74.1 Ų | 74.1 | 83% | 0.831 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 148.6 | -175.7 | -19.5 | 32.9 | 0 | 0 | 0 | 115.8 | ||
| 322 | N | 37.4 | Very low | 47.1 | Very low | 56 Ų | 56 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 135.2 | -179.8 | -61.4 | -44.1 | 0 | 0 | 0 | 113.4 | R293 Q295 | R293-N322 PolarHBondContact NH2-OD1 3.36Å; Q295-N322 PolarHBondContact NE2-OD1 2.93Å; Q295-N322 PolarHBondContact OE1-OD1 2.92Å; Q295-N322 VanDerWaalsContact OE1-OD1 3.13Å |
| 323 | L | 34.6 | Very low | 48 | Very low | 143 Ų | 143 | 70 Ų | 70 | 75% | 0.749 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 130.3 | 168.7 | -79.8 | 158 | 0 | 0 | 0 | 110.2 | ||
| 324 | T | 41.9 | Very low | 49 | Very low | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | trans | -113 | 147.5 | -164.9 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | R203 | R203-T324 HydrophobicContact CB-CG2 3.9Å; R203-T324 HydrophobicContact CG-CG2 4.03Å; R203-T324 WeakPolarHBondContact O-CG2 3.35Å | ||
| 325 | T | 46 | Very low | 50.3 | Low | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | trans | -109.8 | 157.4 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | T298 F308 R311 E327 | T298-T325 HydrophobicContact CG2-CG2 3.45Å; T298-T325 VanDerWaalsContact CG2-CG2 3.45Å; T298-T325 VanDerWaalsContact OG1-CG2 3.28Å; T298-T325 WeakPolarHBondContact OG1-CG2 3.33Å; F308-T325 HydrophobicContact CD1-CG2 4.38Å; F308-T325 HydrophobicContact CE1-CG2 3.62Å; F308-T325 HydrophobicContact CE2-CG2 4.17Å; F308-T325 HydrophobicContact CZ-CG2 3.52Å; R311-T325 PolarHBondContact NH2-OG1 3.19Å; T325-E327 PolarHBondContact OG1-O 2.79Å | ||
| 326 | R | 45.7 | Very low | 51.2 | Low | 216 Ų | 216 | 66.5 Ų | 66.5 | 82% | 0.815 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -84.5 | -29.6 | 172.6 | -82 | -178.6 | 168.2 | 175.8 | -4.3 | 115.2 | ||
| 327 | E | 45.8 | Very low | 52.7 | Low | 22 Ų | 22 | 72.2 Ų | 72.2 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -74.3 | 139.6 | 173.3 | 173.2 | 64.9 | 157 | 0 | 0 | 110.3 | F308 T325 F329 G368 L369 N370 S371 | F308-E327 HydrophobicContact CD2-CB 4.35Å; F308-E327 HydrophobicContact CE2-CB 3.78Å; T325-E327 PolarHBondContact OG1-O 2.79Å; E327-F329 HydrophobicContact CB-CD2 4.44Å; E327-F329 HydrophobicContact CB-CE2 3.59Å; E327-F329 HydrophobicContact CB-CZ 3.72Å; E327-F329 HydrophobicContact CG-CD1 4.34Å; E327-F329 HydrophobicContact CG-CD2 4.13Å; E327-F329 HydrophobicContact CG-CE1 3.77Å; E327-F329 HydrophobicContact CG-CE2 3.5Å; E327-F329 HydrophobicContact CG-CZ 3.31Å; E327-F329 WeakPolarHBondContact O-CD2 3.22Å; E327-F329 WeakPolarHBondContact O-CE2 3.41Å; E327-G368 VanDerWaalsContact OE1-C 3.31Å; E327-G368 WeakPolarHBondContact OE1-CA 3.33Å; E327-L369 PolarHBondContact OE1-N 2.78Å; E327-N370 PolarHBondContact OE1-N 3.09Å; E327-N370 WeakPolarHBondContact OE2-CB 3.41Å; E327-N370 PolarHBondContact OE2-ND2 2.89Å; E327-S371 VanDerWaalsContact OE1-CB 3.25Å; E327-S371 WeakPolarHBondContact OE1-CB 3.3Å; E327-S371 PolarHBondContact OE1-N 3.06Å; E327-S371 PolarHBondContact OE1-OG 2.87Å |
| 328 | T | 48.5 | Very low | 53.5 | Low | 21 Ų | 21 | 71.1 Ų | 71.1 | 13% | 0.129 | 37% | 0.373 | C | S | . | . | trans | -92.2 | 132.9 | 177.3 | -45 | 0 | 0 | 0 | 0 | 109.9 | N205 N277 L369 | N205-T328 WeakPolarHBondContact ND2-CG2 3.48Å; N277-T328 VanDerWaalsContact OD1-CG2 3.26Å; N277-T328 WeakPolarHBondContact OD1-CG2 3.1Å; T328-L369 HydrophobicContact CG2-CD1 3.77Å; T328-L369 PolarHBondContact O-N 3.46Å | ||
| 329 | F | 56.3 | Low | 54.9 | Low | 13 Ų | 13 | 70.1 Ų | 70.1 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136 | -177.1 | -61.2 | -90 | 0 | 0 | 0 | 111.3 | F308 R311 E327 Y331 I366 T367 G368 Y373 | F308-F329 HydrophobicContact CD2-CE2 4.35Å; F308-F329 AromaticContact CD2-CZ 3.88Å; F308-F329 HydrophobicContact CD2-CZ 3.88Å; F308-F329 HydrophobicContact CE2-CE2 4.39Å; F308-F329 HydrophobicContact CE2-CZ 4.31Å; R311-F329 VanDerWaalsContact NH2-CD2 3.32Å; E327-F329 HydrophobicContact CB-CD2 4.44Å; E327-F329 HydrophobicContact CB-CE2 3.59Å; E327-F329 HydrophobicContact CB-CZ 3.72Å; E327-F329 HydrophobicContact CG-CD1 4.34Å; E327-F329 HydrophobicContact CG-CD2 4.13Å; E327-F329 HydrophobicContact CG-CE1 3.77Å; E327-F329 HydrophobicContact CG-CE2 3.5Å; E327-F329 HydrophobicContact CG-CZ 3.31Å; E327-F329 WeakPolarHBondContact O-CD2 3.22Å; E327-F329 WeakPolarHBondContact O-CE2 3.41Å; F329-Y331 HydrophobicContact CB-CD2 4.49Å; F329-Y331 HydrophobicContact CB-CE1 4.16Å; F329-Y331 HydrophobicContact CB-CE2 3.86Å; F329-Y331 WeakPolarHBondContact O-CD2 3.4Å; F329-Y331 VanDerWaalsContact O-CE2 3.32Å; F329-Y331 WeakPolarHBondContact O-CE2 3.43Å; F329-I366 HydrophobicContact CB-CG2 3.94Å; F329-I366 HydrophobicContact CD1-CG2 3.45Å; F329-I366 VanDerWaalsContact CD1-CG2 3.45Å; F329-I366 HydrophobicContact CE1-CG2 4.2Å; F329-I366 HydrophobicContact CG-CG2 3.89Å; F329-T367 CarbonylContact C-O 3.51Å; F329-T367 VanDerWaalsContact CA-O 3.31Å; F329-T367 WeakPolarHBondContact CA-O 3.44Å; F329-G368 VanDerWaalsContact CD1-CA 3.41Å; F329-Y373 HydrophobicContact CD1-CD1 4.4Å; F329-Y373 AromaticContact CE1-CD1 3.79Å; F329-Y373 HydrophobicContact CE1-CD1 3.79Å; F329-Y373 HydrophobicContact CE1-CE1 4.29Å; F329-Y373 HydrophobicContact CE1-CG 4.35Å |
| 330 | I | 60.4 | Low | 56.1 | Low | 87 Ų | 87 | 69.7 Ų | 69.7 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.4 | 160.4 | -65.3 | 173.6 | 0 | 0 | 0 | 107.8 | I366 T367 L369 | I330-I366 WeakPolarHBondContact O-CA 3.17Å; I330-T367 PolarHBondContact N-O 2.7Å; I330-T367 PolarHBondContact O-N 2.81Å; I330-L369 HydrophobicContact CD1-CD2 3.87Å; I330-L369 HydrophobicContact CD1-CG 4.37Å; I330-L369 HydrophobicContact CG1-CD1 4.28Å; I330-L369 HydrophobicContact CG1-CD2 4.25Å; I330-L369 HydrophobicContact CG1-CG 4.21Å |
| 331 | Y | 64.3 | Low | 57.7 | Low | 21 Ų | 21 | 66.3 Ų | 66.3 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 102.9 | 174.8 | -57.7 | -85.5 | 0 | 0 | 0 | 109 | I296 R311 F329 M345 G346 P347 V364 I366 | I296-Y331 HydrophobicContact CB-CE1 4.47Å; I296-Y331 HydrophobicContact CD1-CD1 3.37Å; I296-Y331 HydrophobicContact CD1-CE1 3.54Å; I296-Y331 HydrophobicContact CD1-CG 4.45Å; R311-Y331 PolarHBondContact NH1-OH 3.22Å; F329-Y331 HydrophobicContact CB-CD2 4.49Å; F329-Y331 HydrophobicContact CB-CE1 4.16Å; F329-Y331 HydrophobicContact CB-CE2 3.86Å; F329-Y331 WeakPolarHBondContact O-CD2 3.4Å; F329-Y331 VanDerWaalsContact O-CE2 3.32Å; F329-Y331 WeakPolarHBondContact O-CE2 3.43Å; Y331-M345 CarbonylContact O-C 3.48Å; Y331-M345 WeakPolarHBondContact O-CA 3.2Å; Y331-G346 WeakPolarHBondContact CB-O 3.32Å; Y331-P347 HydrophobicContact CD2-CB 4.27Å; Y331-P347 HydrophobicContact CE1-CB 4.18Å; Y331-P347 HydrophobicContact CE2-CB 3.79Å; Y331-P347 HydrophobicContact CE2-CG 4.39Å; Y331-V364 HydrophobicContact CD1-CG2 4.3Å; Y331-I366 HydrophobicContact CD1-CG1 4.02Å; Y331-I366 HydrophobicContact CD1-CG2 4.33Å; Y331-I366 HydrophobicContact CE1-CD1 4.31Å; Y331-I366 HydrophobicContact CE1-CG1 4.22Å; Y331-I366 HydrophobicContact CE1-CG2 4.03Å |
| 332 | Q | 74.9 | Confident | 58.6 | Low | 79 Ų | 79 | 66.3 Ų | 66.3 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 94.5 | 169.3 | -178.1 | -179.4 | 38.3 | 0 | 0 | 107.8 | L334 P340 V364 R365 | Q332-L334 HydrophobicContact CG-CD2 4.04Å; Q332-P340 HydrophobicContact CG-CB 4.22Å; Q332-V364 WeakPolarHBondContact O-CA 3.32Å; Q332-R365 HydrophobicContact CB-CB 4.29Å; Q332-R365 PolarHBondContact N-O 2.86Å; Q332-R365 PolarHBondContact O-N 3.23Å |
| 333 | W | 72 | Confident | 59.6 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 144 | 168 | -69.4 | 85.8 | 0 | 0 | 0 | 110.1 | F294 I296 I313 P340 I341 S344 G346 L349 S363 V364 T379 | F294-W333 HydrophobicContact CB-CH2 4.28Å; I296-W333 HydrophobicContact CD1-CH2 4.44Å; I296-W333 HydrophobicContact CD1-CZ2 3.72Å; I296-W333 HydrophobicContact CG1-CH2 4.35Å; I296-W333 HydrophobicContact CG1-CZ2 3.93Å; I313-W333 HydrophobicContact CD1-CH2 4.05Å; I313-W333 HydrophobicContact CD1-CZ3 4.16Å; I313-W333 HydrophobicContact CG1-CH2 4.26Å; I313-W333 HydrophobicContact CG2-CH2 4.15Å; W333-P340 WeakPolarHBondContact O-CA 3.25Å; W333-I341 HydrophobicContact CB-CB 4.44Å; W333-I341 HydrophobicContact CB-CD1 4.2Å; W333-I341 PolarHBondContact O-N 2.82Å; W333-S344 WeakPolarHBondContact CB-O 3.32Å; W333-G346 PolarHBondContact NE1-O 3.39Å; W333-L349 HydrophobicContact CB-CD1 4.34Å; W333-L349 HydrophobicContact CD2-CB 3.73Å; W333-L349 HydrophobicContact CD2-CD1 4.22Å; W333-L349 HydrophobicContact CD2-CD2 4.29Å; W333-L349 HydrophobicContact CD2-CG 4.31Å; W333-L349 HydrophobicContact CE3-CB 3.82Å; W333-L349 HydrophobicContact CE3-CD1 4.24Å; W333-L349 HydrophobicContact CE3-CD2 3.58Å; W333-L349 HydrophobicContact CE3-CG 4.1Å; W333-L349 HydrophobicContact CG-CB 4.42Å; W333-L349 HydrophobicContact CG-CD1 4.31Å; W333-L349 HydrophobicContact CH2-CB 3.79Å; W333-L349 HydrophobicContact CH2-CD2 4.27Å; W333-L349 HydrophobicContact CZ2-CB 3.71Å; W333-L349 HydrophobicContact CZ3-CB 3.86Å; W333-L349 HydrophobicContact CZ3-CD2 3.59Å; W333-L349 HydrophobicContact CZ3-CG 4.32Å; W333-S363 CarbonylContact C-O 3.59Å; W333-S363 WeakPolarHBondContact CA-O 3.36Å; W333-V364 HydrophobicContact CD2-CB 3.55Å; W333-V364 HydrophobicContact CD2-CG1 4.29Å; W333-V364 HydrophobicContact CD2-CG2 3.72Å; W333-V364 HydrophobicContact CE3-CB 3.59Å; W333-V364 HydrophobicContact CE3-CG1 4.09Å; W333-V364 HydrophobicContact CE3-CG2 4.29Å; W333-V364 HydrophobicContact CG-CB 4.01Å; W333-V364 HydrophobicContact CG-CG2 3.81Å; W333-V364 HydrophobicContact CH2-CB 4.37Å; W333-V364 HydrophobicContact CH2-CG1 4.06Å; W333-V364 HydrophobicContact CZ2-CB 4.33Å; W333-V364 HydrophobicContact CZ2-CG1 4.23Å; W333-V364 HydrophobicContact CZ2-CG2 4.41Å; W333-V364 HydrophobicContact CZ3-CB 4Å; W333-V364 HydrophobicContact CZ3-CG1 3.96Å; W333-T379 HydrophobicContact CZ3-CG2 4.32Å |
| 334 | L | 77 | Confident | 60.5 | Low | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.3 | -173 | -58.9 | 166.8 | 0 | 0 | 0 | 107.1 | Q332 M338 N339 P340 Y362 S363 | Q332-L334 HydrophobicContact CG-CD2 4.04Å; L334-M338 HydrophobicContact CD1-CE 3.85Å; L334-M338 HydrophobicContact CD1-SD 4.25Å; L334-N339 CarbonylContact C-O 3.56Å; L334-N339 VanDerWaalsContact CA-O 3.25Å; L334-N339 WeakPolarHBondContact CA-O 3.37Å; L334-P340 HydrophobicContact CD2-CB 4.31Å; L334-Y362 CarbonylContact O-C 3.53Å; L334-Y362 WeakPolarHBondContact O-CA 3.4Å; L334-S363 PolarHBondContact N-O 3.06Å; L334-S363 PolarHBondContact O-N 3.13Å |
| 335 | D | 76.5 | Confident | 61.2 | Low | 33 Ų | 33 | 65.5 Ų | 65.5 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | trans | -73.2 | -171.9 | -179.3 | 74.1 | 8.7 | 0 | 0 | 0 | 112.7 | E337 M338 N339 I341 Y362 | D335-E337 PolarHBondContact O-N 3.06Å; D335-E337 WeakPolarHBondContact OD1-CA 3.33Å; D335-E337 WeakPolarHBondContact OD1-CB 3.49Å; D335-E337 PolarHBondContact OD1-N 2.81Å; D335-M338 PolarHBondContact O-N 3.47Å; D335-M338 VanDerWaalsContact O-N 3.1Å; D335-M338 PolarHBondContact OD1-N 2.9Å; D335-N339 PolarHBondContact N-O 3.12Å; D335-N339 PolarHBondContact OD1-N 2.87Å; D335-N339 PolarHBondContact OD1-ND2 3.23Å; D335-N339 WeakPolarHBondContact OD2-CB 3.14Å; D335-N339 PolarHBondContact OD2-ND2 2.03Å; D335-I341 HydrophobicContact CB-CD1 4.16Å; D335-I341 HydrophobicContact CB-CG1 3.94Å; D335-Y362 HydrophobicContact CB-CE1 4.08Å | ||
| 336 | T | 65.5 | Low | 62 | Low | 41 Ų | 41 | 64.1 Ų | 64.1 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.4 | 179.8 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | S357 Y362 | T336-S357 VanDerWaalsContact CG2-O 3.32Å; T336-S357 WeakPolarHBondContact CG2-O 3.48Å; T336-S357 PolarHBondContact OG1-O 2.79Å; T336-Y362 HydrophobicContact CG2-CD2 4.02Å; T336-Y362 HydrophobicContact CG2-CE2 3.37Å |
| 337 | E | 73.6 | Confident | 62.6 | Low | 146 Ų | 146 | 54.7 Ų | 54.7 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 0.5 | -179.9 | -57.8 | -173.8 | 161 | 0 | 0 | 112.3 | D335 N339 | D335-E337 PolarHBondContact O-N 3.06Å; D335-E337 WeakPolarHBondContact OD1-CA 3.33Å; D335-E337 WeakPolarHBondContact OD1-CB 3.49Å; D335-E337 PolarHBondContact OD1-N 2.81Å; E337-N339 PolarHBondContact OE2-ND2 3.37Å |
| 338 | M | 59 | Low | 63 | Low | 92 Ų | 92 | 54.6 Ų | 54.6 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 72.6 | 19.8 | -172.2 | -57.5 | -82.5 | -68 | 0 | 0 | 115.4 | L334 D335 | L334-M338 HydrophobicContact CD1-CE 3.85Å; L334-M338 HydrophobicContact CD1-SD 4.25Å; D335-M338 PolarHBondContact O-N 3.47Å; D335-M338 VanDerWaalsContact O-N 3.1Å; D335-M338 PolarHBondContact OD1-N 2.9Å |
| 339 | N | 66.5 | Low | 63.7 | Low | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | trans | -77.8 | 144.2 | 168.4 | -45.8 | -62.1 | 0 | 0 | 0 | 110.4 | L334 D335 E337 I341 | L334-N339 CarbonylContact C-O 3.56Å; L334-N339 VanDerWaalsContact CA-O 3.25Å; L334-N339 WeakPolarHBondContact CA-O 3.37Å; D335-N339 PolarHBondContact N-O 3.12Å; D335-N339 PolarHBondContact OD1-N 2.87Å; D335-N339 PolarHBondContact OD1-ND2 3.23Å; D335-N339 WeakPolarHBondContact OD2-CB 3.14Å; D335-N339 PolarHBondContact OD2-ND2 2.03Å; E337-N339 PolarHBondContact OE2-ND2 3.37Å; N339-I341 PolarHBondContact O-N 3.38Å | ||
| 340 | P | 61.8 | Low | 63.9 | Low | 72 Ų | 72 | 57.1 Ų | 57.1 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -70.5 | 129.9 | 178 | 28.7 | -34.3 | 0 | 0 | 0 | 113 | Q332 W333 L334 L342 | Q332-P340 HydrophobicContact CG-CB 4.22Å; W333-P340 WeakPolarHBondContact O-CA 3.25Å; L334-P340 HydrophobicContact CD2-CB 4.31Å; P340-L342 PolarHBondContact O-N 2.73Å |
| 341 | I | 65.9 | Low | 63.8 | Low | 34 Ų | 34 | 53.6 Ų | 53.6 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | trans | -84 | 99.1 | 178.6 | -54.1 | 170.7 | 0 | 0 | 0 | 108.4 | W333 D335 N339 D343 S344 L349 Y362 | W333-I341 HydrophobicContact CB-CB 4.44Å; W333-I341 HydrophobicContact CB-CD1 4.2Å; W333-I341 PolarHBondContact O-N 2.82Å; D335-I341 HydrophobicContact CB-CD1 4.16Å; D335-I341 HydrophobicContact CB-CG1 3.94Å; N339-I341 PolarHBondContact O-N 3.38Å; I341-D343 VanDerWaalsContact C-N 3.27Å; I341-D343 PolarHBondContact O-N 3.1Å; I341-S344 CarbonylContact O-C 3.36Å; I341-S344 PolarHBondContact O-N 3.31Å; I341-S344 VanDerWaalsContact O-N 3.08Å; I341-L349 HydrophobicContact CD1-CD1 3.78Å; I341-Y362 HydrophobicContact CD1-CD1 3.48Å; I341-Y362 VanDerWaalsContact CD1-CD1 3.48Å; I341-Y362 HydrophobicContact CD1-CE1 3.48Å; I341-Y362 VanDerWaalsContact CD1-CE1 3.48Å | ||
| 342 | L | 57.4 | Low | 63.5 | Low | 128 Ų | 128 | 56.7 Ų | 56.7 | 67% | 0.67 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -36.8 | -175.8 | -73.3 | 152.9 | 0 | 0 | 0 | 112.8 | P340 S344 M345 | P340-L342 PolarHBondContact O-N 2.73Å; L342-S344 PolarHBondContact O-N 2.68Å; L342-M345 HydrophobicContact CB-CE 4.48Å; L342-M345 HydrophobicContact CD2-CE 3.8Å; L342-M345 WeakPolarHBondContact O-CE 3.35Å; L342-M345 WeakPolarHBondContact O-CG 3.45Å |
| 343 | D | 57.7 | Low | 62.4 | Low | 167 Ų | 167 | 54.9 Ų | 54.9 | 89% | 0.893 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -1.8 | -179.1 | -52.7 | -29.7 | 0 | 0 | 0 | 113.3 | I341 | I341-D343 VanDerWaalsContact C-N 3.27Å; I341-D343 PolarHBondContact O-N 3.1Å |
| 344 | S | 54.6 | Low | 61.4 | Low | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | trans | -132.1 | 67.3 | -174.1 | 180 | 0 | 0 | 0 | 0 | 111.4 | W333 I341 L342 D348 L349 | W333-S344 WeakPolarHBondContact CB-O 3.32Å; I341-S344 CarbonylContact O-C 3.36Å; I341-S344 PolarHBondContact O-N 3.31Å; I341-S344 VanDerWaalsContact O-N 3.08Å; L342-S344 PolarHBondContact O-N 2.68Å; S344-D348 PolarHBondContact OG-O 3.49Å; S344-L349 WeakPolarHBondContact OG-CA 3.22Å; S344-L349 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 345 | M | 56.6 | Low | 60.2 | Low | 81 Ų | 81 | 64.4 Ų | 64.4 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | trans | -98.2 | 8.7 | 176.4 | -57 | -164.8 | -171 | 0 | 0 | 114.4 | I260 Y331 L342 | I260-M345 HydrophobicContact CD1-CB 3.3Å; I260-M345 HydrophobicContact CD1-CG 4.26Å; I260-M345 HydrophobicContact CD1-SD 4.05Å; I260-M345 HydrophobicContact CG1-CB 4.03Å; Y331-M345 CarbonylContact O-C 3.48Å; Y331-M345 WeakPolarHBondContact O-CA 3.2Å; L342-M345 HydrophobicContact CB-CE 4.48Å; L342-M345 HydrophobicContact CD2-CE 3.8Å; L342-M345 WeakPolarHBondContact O-CE 3.35Å; L342-M345 WeakPolarHBondContact O-CG 3.45Å | ||
| 346 | G | 61.6 | Low | 58.8 | Low | 5 Ų | 5 | 67.8 Ų | 67.8 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -97.3 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y331 W333 D348 | Y331-G346 WeakPolarHBondContact CB-O 3.32Å; W333-G346 PolarHBondContact NE1-O 3.39Å; G346-D348 PolarHBondContact O-N 3.03Å |
| 347 | P | 58.9 | Low | 58.3 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -65.2 | -12.4 | 169.7 | 30.7 | -36.5 | 0 | 0 | 0 | 113 | V206 I296 Y331 | V206-P347 HydrophobicContact CG2-CG 3.81Å; I296-P347 PolarHBondContact N-O 2.89Å; Y331-P347 HydrophobicContact CD2-CB 4.27Å; Y331-P347 HydrophobicContact CE1-CB 4.18Å; Y331-P347 HydrophobicContact CE2-CB 3.79Å; Y331-P347 HydrophobicContact CE2-CG 4.39Å |
| 348 | D | 53 | Low | 57.3 | Low | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.7 | -178.9 | -62.6 | -14.6 | 0 | 0 | 0 | 110.2 | R293 F294 Q295 S344 G346 | R293-D348 HydrophobicContact CG-CB 4.32Å; R293-D348 IonicContact CZ-OD1 3.69Å; R293-D348 IonicContact CZ-OD2 2.68Å; R293-D348 IonicContact NE-OD1 3.79Å; R293-D348 IonicContact NE-OD2 2.81Å; R293-D348 PolarHBondContact NE-OD2 3.07Å; R293-D348 IonicContact NH2-OD1 3.88Å; R293-D348 PolarHBondContact NH2-OD1 2.82Å; R293-D348 IonicContact NH2-OD2 2.68Å; R293-D348 PolarHBondContact NH2-OD2 2.97Å; F294-D348 CarbonylContact O-C 3.54Å; F294-D348 VanDerWaalsContact O-CA 3.27Å; F294-D348 WeakPolarHBondContact O-CA 3.12Å; Q295-D348 WeakPolarHBondContact CB-OD1 3.47Å; Q295-D348 WeakPolarHBondContact CG-OD1 3.46Å; S344-D348 PolarHBondContact OG-O 3.49Å; G346-D348 PolarHBondContact O-N 3.03Å |
| 349 | L | 63.7 | Low | 56.9 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116 | 165.2 | 174.5 | 68.1 | 0 | 0 | 0 | 108.5 | R293 F294 W333 I341 S344 I351 Y362 I381 | R293-L349 WeakPolarHBondContact CA-O 3.26Å; F294-L349 HydrophobicContact CB-CB 4.2Å; F294-L349 HydrophobicContact CD2-CD2 4.14Å; F294-L349 HydrophobicContact CD2-CG 4.42Å; F294-L349 PolarHBondContact N-O 3.06Å; F294-L349 PolarHBondContact O-N 3.29Å; W333-L349 HydrophobicContact CB-CD1 4.34Å; W333-L349 HydrophobicContact CD2-CB 3.73Å; W333-L349 HydrophobicContact CD2-CD1 4.22Å; W333-L349 HydrophobicContact CD2-CD2 4.29Å; W333-L349 HydrophobicContact CD2-CG 4.31Å; W333-L349 HydrophobicContact CE3-CB 3.82Å; W333-L349 HydrophobicContact CE3-CD1 4.24Å; W333-L349 HydrophobicContact CE3-CD2 3.58Å; W333-L349 HydrophobicContact CE3-CG 4.1Å; W333-L349 HydrophobicContact CG-CB 4.42Å; W333-L349 HydrophobicContact CG-CD1 4.31Å; W333-L349 HydrophobicContact CH2-CB 3.79Å; W333-L349 HydrophobicContact CH2-CD2 4.27Å; W333-L349 HydrophobicContact CZ2-CB 3.71Å; W333-L349 HydrophobicContact CZ3-CB 3.86Å; W333-L349 HydrophobicContact CZ3-CD2 3.59Å; W333-L349 HydrophobicContact CZ3-CG 4.32Å; I341-L349 HydrophobicContact CD1-CD1 3.78Å; S344-L349 WeakPolarHBondContact OG-CA 3.22Å; S344-L349 WeakPolarHBondContact OG-CD1 3.49Å; L349-I351 HydrophobicContact CD1-CD1 3.75Å; L349-I351 HydrophobicContact CD1-CG1 3.78Å; L349-I351 HydrophobicContact CD2-CD1 3.57Å; L349-I351 HydrophobicContact CD2-CG1 4.37Å; L349-I351 HydrophobicContact CG-CD1 3.66Å; L349-I351 HydrophobicContact CG-CG1 3.9Å; L349-Y362 HydrophobicContact CD1-CD1 4.49Å; L349-Y362 HydrophobicContact CD2-CD1 3.96Å; L349-Y362 HydrophobicContact CD2-CG 4.06Å; L349-I381 HydrophobicContact CD2-CD1 4.18Å |
| 350 | R | 60.6 | Low | 56.7 | Low | 87 Ų | 87 | 58 Ų | 58 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.3 | 167.7 | -67.1 | 178 | 174.3 | -171.6 | -2.9 | 108 | E258 Q283 L292 | E258-R350 IonicContact OE1-CZ 3.74Å; E258-R350 IonicContact OE1-NH1 3.84Å; E258-R350 PolarHBondContact OE1-NH1 3.4Å; E258-R350 IonicContact OE2-NH1 2.78Å; Q283-R350 PolarHBondContact O-NH1 3.25Å; Q283-R350 PolarHBondContact O-NH2 3.46Å; L292-R350 WeakPolarHBondContact O-CA 3.45Å |
| 351 | I | 58.2 | Low | 57.1 | Low | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.3 | 172.3 | -67.7 | 161.9 | 0 | 0 | 0 | 110.8 | L292 L349 F353 Y362 I381 | L292-I351 PolarHBondContact N-O 2.77Å; L292-I351 PolarHBondContact O-N 2.8Å; L349-I351 HydrophobicContact CD1-CD1 3.75Å; L349-I351 HydrophobicContact CD1-CG1 3.78Å; L349-I351 HydrophobicContact CD2-CD1 3.57Å; L349-I351 HydrophobicContact CD2-CG1 4.37Å; L349-I351 HydrophobicContact CG-CD1 3.66Å; L349-I351 HydrophobicContact CG-CG1 3.9Å; I351-F353 HydrophobicContact CB-CE1 3.98Å; I351-F353 HydrophobicContact CB-CE2 4.49Å; I351-F353 HydrophobicContact CB-CZ 3.86Å; I351-F353 HydrophobicContact CG2-CD1 3.61Å; I351-F353 HydrophobicContact CG2-CE1 3.3Å; I351-F353 HydrophobicContact CG2-CE2 4.26Å; I351-F353 HydrophobicContact CG2-CG 4.19Å; I351-F353 HydrophobicContact CG2-CZ 3.65Å; I351-Y362 HydrophobicContact CD1-CD1 3.64Å; I351-Y362 HydrophobicContact CD1-CD2 4.25Å; I351-Y362 HydrophobicContact CD1-CE1 3.33Å; I351-Y362 HydrophobicContact CD1-CE2 3.95Å; I351-Y362 HydrophobicContact CD1-CG 4.08Å; I351-Y362 VanDerWaalsContact CD1-CZ 3.49Å; I351-Y362 HydrophobicContact CG1-CE1 4.37Å; I351-I381 HydrophobicContact CD1-CD1 3.41Å; I351-I381 VanDerWaalsContact CD1-CD1 3.41Å |
| 352 | N | 58.4 | Low | 57.3 | Low | 85 Ų | 85 | 58.4 Ų | 58.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -94.1 | 117.1 | 162 | -67.3 | -30.3 | 0 | 0 | 0 | 108.5 | A291 H354 | A291-N352 VanDerWaalsContact CB-OD1 3.3Å; A291-N352 WeakPolarHBondContact CB-OD1 3.44Å; N352-H354 PolarHBondContact O-N 2.87Å | ||
| 353 | F | 51 | Low | 57.8 | Low | 42 Ų | 42 | 52.5 Ų | 52.5 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | trans | -81.2 | 118.4 | -179.7 | -55.5 | -74.6 | 0 | 0 | 0 | 110.4 | L292 I351 D358 F359 I381 V390 | L292-F353 HydrophobicContact CB-CE2 4.05Å; L292-F353 HydrophobicContact CB-CZ 4.28Å; L292-F353 HydrophobicContact CD1-CE2 4.11Å; L292-F353 HydrophobicContact CD1-CZ 4.21Å; L292-F353 HydrophobicContact CG-CE2 3.98Å; L292-F353 HydrophobicContact CG-CZ 4.44Å; I351-F353 HydrophobicContact CB-CE1 3.98Å; I351-F353 HydrophobicContact CB-CE2 4.49Å; I351-F353 HydrophobicContact CB-CZ 3.86Å; I351-F353 HydrophobicContact CG2-CD1 3.61Å; I351-F353 HydrophobicContact CG2-CE1 3.3Å; I351-F353 HydrophobicContact CG2-CE2 4.26Å; I351-F353 HydrophobicContact CG2-CG 4.19Å; I351-F353 HydrophobicContact CG2-CZ 3.65Å; F353-D358 HydrophobicContact CD1-CB 4.18Å; F353-D358 WeakPolarHBondContact CD1-O 3.15Å; F353-D358 WeakPolarHBondContact CE1-O 3.45Å; F353-F359 HydrophobicContact CB-CE1 4.22Å; F353-F359 HydrophobicContact CB-CE2 3.85Å; F353-F359 HydrophobicContact CB-CZ 3.42Å; F353-F359 VanDerWaalsContact CB-CZ 3.42Å; F353-F359 AromaticContact CD1-CD1 3.97Å; F353-F359 HydrophobicContact CD1-CD1 3.97Å; F353-F359 HydrophobicContact CD1-CD2 4.48Å; F353-F359 AromaticContact CD1-CE1 3.42Å; F353-F359 HydrophobicContact CD1-CE1 3.42Å; F353-F359 VanDerWaalsContact CD1-CE1 3.42Å; F353-F359 AromaticContact CD1-CE2 3.99Å; F353-F359 HydrophobicContact CD1-CE2 3.99Å; F353-F359 AromaticContact CD1-CZ 3.46Å; F353-F359 HydrophobicContact CD1-CZ 3.46Å; F353-F359 VanDerWaalsContact CD1-CZ 3.46Å; F353-F359 HydrophobicContact CD2-CZ 4.45Å; F353-F359 HydrophobicContact CE1-CD1 4.28Å; F353-F359 AromaticContact CE1-CE1 3.97Å; F353-F359 HydrophobicContact CE1-CE1 3.97Å; F353-F359 HydrophobicContact CE1-CZ 4.43Å; F353-F359 AromaticContact CG-CE1 3.76Å; F353-F359 HydrophobicContact CG-CE1 3.76Å; F353-F359 HydrophobicContact CG-CE2 4.22Å; F353-F359 AromaticContact CG-CZ 3.49Å; F353-F359 HydrophobicContact CG-CZ 3.49Å; F353-F359 VanDerWaalsContact CG-CZ 3.49Å; F353-I381 HydrophobicContact CD1-CG2 4.47Å; F353-I381 HydrophobicContact CE1-CB 4.37Å; F353-I381 HydrophobicContact CE1-CD1 4.21Å; F353-I381 HydrophobicContact CE1-CG2 3.47Å; F353-I381 VanDerWaalsContact CE1-CG2 3.47Å; F353-I381 HydrophobicContact CZ-CD1 4.22Å; F353-I381 HydrophobicContact CZ-CG2 3.63Å; F353-V390 HydrophobicContact CD2-CG1 4.19Å; F353-V390 HydrophobicContact CD2-CG2 4.38Å; F353-V390 HydrophobicContact CE2-CG1 3.86Å; F353-V390 HydrophobicContact CE2-CG2 4.48Å; F353-V390 HydrophobicContact CZ-CG1 4.47Å | ||
| 354 | H | 51.9 | Low | 58.4 | Low | 162 Ų | 162 | 44.5 Ų | 44.5 | 75% | 0.75 | 23% | 0.233 | S | C | * | . | trans | -122.6 | -26 | -177 | -66.1 | -23.1 | 0 | 0 | 0 | 112.6 | N352 D358 | N352-H354 PolarHBondContact O-N 2.87Å; H354-D358 WeakPolarHBondContact CA-OD2 3.44Å; H354-D358 PolarHBondContact N-OD2 2.86Å | ||
| 355 | S | 51.1 | Low | 59.3 | Low | 47 Ų | 47 | 47.9 Ų | 47.9 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -140.1 | 151.3 | -174.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | S357 D358 F359 | S355-S357 WeakPolarHBondContact CB-OG 3.02Å; S355-S357 PolarHBondContact O-N 2.79Å; S355-S357 PolarHBondContact OG-N 3.02Å; S355-S357 PolarHBondContact OG-OG 2.98Å; S355-D358 PolarHBondContact N-OD2 2.74Å; S355-D358 WeakPolarHBondContact O-CB 3.39Å; S355-D358 VanDerWaalsContact O-CG 3.25Å; S355-D358 PolarHBondContact O-N 3.3Å; S355-F359 VanDerWaalsContact O-CD2 3.24Å; S355-F359 WeakPolarHBondContact O-CD2 3.25Å; S355-F359 WeakPolarHBondContact O-CE2 3.11Å |
| 356 | P | 48.1 | Very low | 59.6 | Low | 104 Ų | 104 | 44 Ų | 44 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -55.9 | -14.6 | 167.7 | -26.5 | 36.5 | 0 | 0 | 0 | 115.4 | D358 | P356-D358 VanDerWaalsContact C-N 3.3Š|
| 357 | S | 54.1 | Low | 59.3 | Low | 61 Ų | 61 | 45.8 Ų | 45.8 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -67.4 | -28.8 | 169.7 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | T336 S355 F359 | T336-S357 VanDerWaalsContact CG2-O 3.32Å; T336-S357 WeakPolarHBondContact CG2-O 3.48Å; T336-S357 PolarHBondContact OG1-O 2.79Å; S355-S357 WeakPolarHBondContact CB-OG 3.02Å; S355-S357 PolarHBondContact O-N 2.79Å; S355-S357 PolarHBondContact OG-N 3.02Å; S355-S357 PolarHBondContact OG-OG 2.98Å; S357-F359 PolarHBondContact O-N 2.82Å |
| 358 | D | 52.7 | Low | 59.1 | Low | 33 Ų | 33 | 45 Ų | 45 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -81 | 19.4 | -170.8 | -39.8 | -18.4 | 0 | 0 | 0 | 111.2 | F353 H354 S355 P356 Y362 | F353-D358 HydrophobicContact CD1-CB 4.18Å; F353-D358 WeakPolarHBondContact CD1-O 3.15Å; F353-D358 WeakPolarHBondContact CE1-O 3.45Å; H354-D358 WeakPolarHBondContact CA-OD2 3.44Å; H354-D358 PolarHBondContact N-OD2 2.86Å; S355-D358 PolarHBondContact N-OD2 2.74Å; S355-D358 WeakPolarHBondContact O-CB 3.39Å; S355-D358 VanDerWaalsContact O-CG 3.25Å; S355-D358 PolarHBondContact O-N 3.3Å; P356-D358 VanDerWaalsContact C-N 3.3Å; D358-Y362 WeakPolarHBondContact CA-OH 3.49Å; D358-Y362 WeakPolarHBondContact O-CE2 3.1Å; D358-Y362 PolarHBondContact O-OH 2.03Å |
| 359 | F | 50.1 | Low | 58.9 | Low | 37 Ų | 37 | 46.9 Ų | 46.9 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | trans | -136.8 | 94.2 | -169.6 | -67.6 | -76.1 | 0 | 0 | 0 | 109.3 | F353 S355 S357 I381 L383 | F353-F359 HydrophobicContact CB-CE1 4.22Å; F353-F359 HydrophobicContact CB-CE2 3.85Å; F353-F359 HydrophobicContact CB-CZ 3.42Å; F353-F359 VanDerWaalsContact CB-CZ 3.42Å; F353-F359 AromaticContact CD1-CD1 3.97Å; F353-F359 HydrophobicContact CD1-CD1 3.97Å; F353-F359 HydrophobicContact CD1-CD2 4.48Å; F353-F359 AromaticContact CD1-CE1 3.42Å; F353-F359 HydrophobicContact CD1-CE1 3.42Å; F353-F359 VanDerWaalsContact CD1-CE1 3.42Å; F353-F359 AromaticContact CD1-CE2 3.99Å; F353-F359 HydrophobicContact CD1-CE2 3.99Å; F353-F359 AromaticContact CD1-CZ 3.46Å; F353-F359 HydrophobicContact CD1-CZ 3.46Å; F353-F359 VanDerWaalsContact CD1-CZ 3.46Å; F353-F359 HydrophobicContact CD2-CZ 4.45Å; F353-F359 HydrophobicContact CE1-CD1 4.28Å; F353-F359 AromaticContact CE1-CE1 3.97Å; F353-F359 HydrophobicContact CE1-CE1 3.97Å; F353-F359 HydrophobicContact CE1-CZ 4.43Å; F353-F359 AromaticContact CG-CE1 3.76Å; F353-F359 HydrophobicContact CG-CE1 3.76Å; F353-F359 HydrophobicContact CG-CE2 4.22Å; F353-F359 AromaticContact CG-CZ 3.49Å; F353-F359 HydrophobicContact CG-CZ 3.49Å; F353-F359 VanDerWaalsContact CG-CZ 3.49Å; S355-F359 VanDerWaalsContact O-CD2 3.24Å; S355-F359 WeakPolarHBondContact O-CD2 3.25Å; S355-F359 WeakPolarHBondContact O-CE2 3.11Å; S357-F359 PolarHBondContact O-N 2.82Å; F359-I381 CarbonylContact C-O 3.6Å; F359-I381 WeakPolarHBondContact CA-O 3.46Å; F359-I381 HydrophobicContact CD1-CG2 4.02Å; F359-I381 HydrophobicContact CE1-CG2 4.36Å; F359-L383 HydrophobicContact CD1-CB 4.5Å; F359-L383 HydrophobicContact CD1-CG 4.02Å; F359-L383 HydrophobicContact CD2-CD1 3.9Å; F359-L383 HydrophobicContact CD2-CG 3.81Å; F359-L383 HydrophobicContact CE1-CB 4.42Å; F359-L383 HydrophobicContact CE1-CD2 4.25Å; F359-L383 HydrophobicContact CE1-CG 3.81Å; F359-L383 HydrophobicContact CE2-CD1 3.98Å; F359-L383 HydrophobicContact CE2-CD2 3.87Å; F359-L383 HydrophobicContact CE2-CG 3.59Å; F359-L383 HydrophobicContact CG-CD1 4.3Å; F359-L383 HydrophobicContact CG-CG 3.99Å; F359-L383 HydrophobicContact CZ-CD1 4.44Å; F359-L383 HydrophobicContact CZ-CD2 3.66Å; F359-L383 HydrophobicContact CZ-CG 3.56Å | ||
| 360 | G | 63 | Low | 58 | Low | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -173.9 | -148.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y362 Y380 I381 | G360-Y362 PolarHBondContact O-N 3.45Å; G360-Y380 CarbonylContact O-C 3.32Å; G360-Y380 WeakPolarHBondContact O-CA 3.38Å; G360-I381 PolarHBondContact N-O 2.78Å; G360-I381 PolarHBondContact O-N 3.22Å |
| 361 | R | 69.9 | Low | 57.3 | Low | 103 Ų | 103 | 48.8 Ų | 48.8 | 39% | 0.389 | 26% | 0.261 | S | S | . | . | trans | -89.5 | 88.1 | -174.4 | -169.2 | -170.2 | 178.7 | -149.1 | -5.8 | 113 | S363 S378 Y380 | R361-S363 PolarHBondContact O-N 3.19Å; R361-S378 PolarHBondContact NE-OG 3.43Å; R361-S378 PolarHBondContact NH2-OG 3.3Å; R361-Y380 HydrophobicContact CB-CD1 3.75Å; R361-Y380 HydrophobicContact CB-CE1 3.51Å; R361-Y380 HydrophobicContact CB-CG 4.41Å; R361-Y380 WeakPolarHBondContact CD-OH 3.47Å; R361-Y380 HydrophobicContact CG-CD1 4.04Å; R361-Y380 HydrophobicContact CG-CD2 4.23Å; R361-Y380 HydrophobicContact CG-CE1 3.66Å; R361-Y380 HydrophobicContact CG-CE2 3.86Å; R361-Y380 HydrophobicContact CG-CG 4.32Å | ||
| 362 | Y | 69.9 | Low | 56.8 | Low | 13 Ų | 13 | 51 Ų | 51 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | trans | -70.8 | 109.9 | 171.3 | -74.1 | -89.5 | 0 | 0 | 0 | 111.5 | L334 D335 T336 I341 L349 I351 D358 G360 S378 T379 I381 | L334-Y362 CarbonylContact O-C 3.53Å; L334-Y362 WeakPolarHBondContact O-CA 3.4Å; D335-Y362 HydrophobicContact CB-CE1 4.08Å; T336-Y362 HydrophobicContact CG2-CD2 4.02Å; T336-Y362 HydrophobicContact CG2-CE2 3.37Å; I341-Y362 HydrophobicContact CD1-CD1 3.48Å; I341-Y362 VanDerWaalsContact CD1-CD1 3.48Å; I341-Y362 HydrophobicContact CD1-CE1 3.48Å; I341-Y362 VanDerWaalsContact CD1-CE1 3.48Å; L349-Y362 HydrophobicContact CD1-CD1 4.49Å; L349-Y362 HydrophobicContact CD2-CD1 3.96Å; L349-Y362 HydrophobicContact CD2-CG 4.06Å; I351-Y362 HydrophobicContact CD1-CD1 3.64Å; I351-Y362 HydrophobicContact CD1-CD2 4.25Å; I351-Y362 HydrophobicContact CD1-CE1 3.33Å; I351-Y362 HydrophobicContact CD1-CE2 3.95Å; I351-Y362 HydrophobicContact CD1-CG 4.08Å; I351-Y362 VanDerWaalsContact CD1-CZ 3.49Å; I351-Y362 HydrophobicContact CG1-CE1 4.37Å; D358-Y362 WeakPolarHBondContact CA-OH 3.49Å; D358-Y362 WeakPolarHBondContact O-CE2 3.1Å; D358-Y362 PolarHBondContact O-OH 2.03Å; G360-Y362 PolarHBondContact O-N 3.45Å; Y362-S378 CarbonylContact O-C 3.49Å; Y362-S378 WeakPolarHBondContact O-CA 3.03Å; Y362-T379 CarbonylContact C-O 3.58Å; Y362-T379 PolarHBondContact N-O 2.79Å; Y362-T379 VanDerWaalsContact N-O 3.1Å; Y362-T379 PolarHBondContact O-N 2.84Å; Y362-I381 HydrophobicContact CD2-CB 3.93Å; Y362-I381 HydrophobicContact CD2-CD1 3.39Å; Y362-I381 HydrophobicContact CD2-CG1 3.52Å; Y362-I381 HydrophobicContact CE2-CB 4.11Å; Y362-I381 HydrophobicContact CE2-CD1 3.75Å; Y362-I381 HydrophobicContact CE2-CG1 4.09Å; Y362-I381 HydrophobicContact CG-CD1 3.84Å; Y362-I381 HydrophobicContact CG-CG1 4.24Å | ||
| 363 | S | 68.7 | Low | 56.3 | Low | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 157.8 | 179.1 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | W333 L334 R361 L377 S378 | W333-S363 CarbonylContact C-O 3.59Å; W333-S363 WeakPolarHBondContact CA-O 3.36Å; L334-S363 PolarHBondContact N-O 3.06Å; L334-S363 PolarHBondContact O-N 3.13Å; R361-S363 PolarHBondContact O-N 3.19Å; S363-L377 CarbonylContact C-O 3.54Å; S363-L377 WeakPolarHBondContact CA-O 3.08Å; S363-S378 WeakPolarHBondContact OG-CB 3.07Å |
| 364 | V | 70 | Confident | 56.3 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 117.6 | 173.1 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | I296 I313 Y331 Q332 W333 I366 D376 L377 | I296-V364 HydrophobicContact CD1-CG1 3.85Å; I296-V364 HydrophobicContact CD1-CG2 3.99Å; I296-V364 HydrophobicContact CG1-CG1 4.46Å; I313-V364 HydrophobicContact CD1-CG1 3.97Å; Y331-V364 HydrophobicContact CD1-CG2 4.3Å; Q332-V364 WeakPolarHBondContact O-CA 3.32Å; W333-V364 HydrophobicContact CD2-CB 3.55Å; W333-V364 HydrophobicContact CD2-CG1 4.29Å; W333-V364 HydrophobicContact CD2-CG2 3.72Å; W333-V364 HydrophobicContact CE3-CB 3.59Å; W333-V364 HydrophobicContact CE3-CG1 4.09Å; W333-V364 HydrophobicContact CE3-CG2 4.29Å; W333-V364 HydrophobicContact CG-CB 4.01Å; W333-V364 HydrophobicContact CG-CG2 3.81Å; W333-V364 HydrophobicContact CH2-CB 4.37Å; W333-V364 HydrophobicContact CH2-CG1 4.06Å; W333-V364 HydrophobicContact CZ2-CB 4.33Å; W333-V364 HydrophobicContact CZ2-CG1 4.23Å; W333-V364 HydrophobicContact CZ2-CG2 4.41Å; W333-V364 HydrophobicContact CZ3-CB 4Å; W333-V364 HydrophobicContact CZ3-CG1 3.96Å; V364-I366 HydrophobicContact CG1-CG1 4.38Å; V364-I366 HydrophobicContact CG2-CG1 4.26Å; V364-I366 PolarHBondContact O-N 3.21Å; V364-D376 CarbonylContact O-C 3.49Å; V364-D376 WeakPolarHBondContact O-CA 3.47Å; V364-L377 HydrophobicContact CG1-CB 3.85Å; V364-L377 PolarHBondContact N-O 2.88Å; V364-L377 PolarHBondContact O-N 3.1Å |
| 365 | R | 73.7 | Confident | 56.5 | Low | 75 Ų | 75 | 52.6 Ų | 52.6 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112.7 | 171.1 | 177.8 | 161.6 | -65.2 | 142.7 | 6.4 | 108.4 | Q332 Q374 D376 | Q332-R365 HydrophobicContact CB-CB 4.29Å; Q332-R365 PolarHBondContact N-O 2.86Å; Q332-R365 PolarHBondContact O-N 3.23Å; R365-Q374 HydrophobicContact CG-CG 4.38Å; R365-D376 WeakPolarHBondContact CB-OD1 3.14Å; R365-D376 VanDerWaalsContact CG-OD1 3.27Å; R365-D376 WeakPolarHBondContact CG-OD1 3.43Å; R365-D376 IonicContact CZ-OD1 3.31Å; R365-D376 IonicContact CZ-OD2 3.94Å; R365-D376 IonicContact NE-OD1 3.72Å; R365-D376 PolarHBondContact NE-OD1 3.23Å; R365-D376 IonicContact NE-OD2 2.88Å; R365-D376 PolarHBondContact NE-OD2 3.28Å; R365-D376 IonicContact NH2-OD1 3.37Å; R365-D376 IonicContact NH2-OD2 3.83Å; R365-D376 PolarHBondContact NH2-OD2 2.83Å |
| 366 | I | 62.8 | Low | 57.2 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.2 | 176.5 | -52.2 | -178.9 | 0 | 0 | 0 | 107.5 | I296 F329 I330 Y331 V364 Y373 Q374 R375 L377 | I296-I366 HydrophobicContact CD1-CD1 3.96Å; I296-I366 HydrophobicContact CD1-CG1 4.31Å; I296-I366 HydrophobicContact CG2-CD1 3.85Å; F329-I366 HydrophobicContact CB-CG2 3.94Å; F329-I366 HydrophobicContact CD1-CG2 3.45Å; F329-I366 VanDerWaalsContact CD1-CG2 3.45Å; F329-I366 HydrophobicContact CE1-CG2 4.2Å; F329-I366 HydrophobicContact CG-CG2 3.89Å; I330-I366 WeakPolarHBondContact O-CA 3.17Å; Y331-I366 HydrophobicContact CD1-CG1 4.02Å; Y331-I366 HydrophobicContact CD1-CG2 4.33Å; Y331-I366 HydrophobicContact CE1-CD1 4.31Å; Y331-I366 HydrophobicContact CE1-CG1 4.22Å; Y331-I366 HydrophobicContact CE1-CG2 4.03Å; V364-I366 HydrophobicContact CG1-CG1 4.38Å; V364-I366 HydrophobicContact CG2-CG1 4.26Å; V364-I366 PolarHBondContact O-N 3.21Å; I366-Y373 HydrophobicContact CG2-CE1 4.43Å; I366-Q374 WeakPolarHBondContact O-CA 3.42Å; I366-R375 WeakPolarHBondContact CB-O 2.96Å; I366-R375 PolarHBondContact N-O 3.07Å; I366-R375 PolarHBondContact O-N 2.92Å; I366-L377 HydrophobicContact CD1-CD1 3.55Å; I366-L377 HydrophobicContact CD1-CG 3.77Å |
| 367 | T | 55.5 | Low | 57.9 | Low | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 113.9 | 177.2 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | F329 I330 Y373 | F329-T367 CarbonylContact C-O 3.51Å; F329-T367 VanDerWaalsContact CA-O 3.31Å; F329-T367 WeakPolarHBondContact CA-O 3.44Å; I330-T367 PolarHBondContact N-O 2.7Å; I330-T367 PolarHBondContact O-N 2.81Å; T367-Y373 CarbonylContact C-O 3.58Å; T367-Y373 VanDerWaalsContact CA-O 3.29Å; T367-Y373 WeakPolarHBondContact CA-O 3.3Å |
| 368 | G | 54.6 | Low | 58.1 | Low | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E327 F329 N370 G372 Y373 | E327-G368 VanDerWaalsContact OE1-C 3.31Å; E327-G368 WeakPolarHBondContact OE1-CA 3.33Å; F329-G368 VanDerWaalsContact CD1-CA 3.41Å; G368-N370 PolarHBondContact O-N 2.75Å; G368-G372 PolarHBondContact O-N 2.77Å; G368-G372 VanDerWaalsContact O-N 3.11Å; G368-Y373 PolarHBondContact N-O 3.23Å |
| 369 | L | 48.1 | Very low | 57.8 | Low | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.9 | -169.9 | -85.5 | 163.7 | 0 | 0 | 0 | 113.5 | E327 T328 I330 | E327-L369 PolarHBondContact OE1-N 2.78Å; T328-L369 HydrophobicContact CG2-CD1 3.77Å; T328-L369 PolarHBondContact O-N 3.46Å; I330-L369 HydrophobicContact CD1-CD2 3.87Å; I330-L369 HydrophobicContact CD1-CG 4.37Å; I330-L369 HydrophobicContact CG1-CD1 4.28Å; I330-L369 HydrophobicContact CG1-CD2 4.25Å; I330-L369 HydrophobicContact CG1-CG 4.21Å |
| 370 | N | 45.7 | Very low | 58.1 | Low | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -41.2 | -176 | -49.9 | -56.4 | 0 | 0 | 0 | 110.9 | E327 G368 | E327-N370 PolarHBondContact OE1-N 3.09Å; E327-N370 WeakPolarHBondContact OE2-CB 3.41Å; E327-N370 PolarHBondContact OE2-ND2 2.89Å; G368-N370 PolarHBondContact O-N 2.75Å |
| 371 | S | 46.5 | Very low | 57.6 | Low | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -21.5 | -176.6 | 58 | 0 | 0 | 0 | 0 | 114.8 | G306 E327 Y373 | G306-S371 VanDerWaalsContact O-CB 3.29Å; G306-S371 WeakPolarHBondContact O-CB 3.49Å; E327-S371 VanDerWaalsContact OE1-CB 3.25Å; E327-S371 WeakPolarHBondContact OE1-CB 3.3Å; E327-S371 PolarHBondContact OE1-N 3.06Å; E327-S371 PolarHBondContact OE1-OG 2.87Å; S371-Y373 PolarHBondContact O-N 2.64Å; S371-Y373 VanDerWaalsContact OG-CB 3.3Å; S371-Y373 WeakPolarHBondContact OG-CB 3.2Å; S371-Y373 PolarHBondContact OG-N 3.18Å |
| 372 | G | 46.2 | Very low | 56.4 | Low | 61 Ų | 61 | 48.4 Ų | 48.4 | 63% | 0.629 | 25% | 0.251 | S | S | * | . | trans | 66.7 | 10.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | G368 Q374 | G368-G372 PolarHBondContact O-N 2.77Å; G368-G372 VanDerWaalsContact O-N 3.11Å; G372-Q374 PolarHBondContact O-N 3.26Å | ||
| 373 | Y | 48.9 | Very low | 55.1 | Low | 45 Ų | 45 | 51.3 Ų | 51.3 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | trans | -59.1 | 116.9 | 174.8 | 175.7 | -85 | 0 | 0 | 0 | 109.7 | F308 F329 I366 T367 G368 S371 R375 | F308-Y373 WeakPolarHBondContact O-CE2 3.43Å; F329-Y373 HydrophobicContact CD1-CD1 4.4Å; F329-Y373 AromaticContact CE1-CD1 3.79Å; F329-Y373 HydrophobicContact CE1-CD1 3.79Å; F329-Y373 HydrophobicContact CE1-CE1 4.29Å; F329-Y373 HydrophobicContact CE1-CG 4.35Å; I366-Y373 HydrophobicContact CG2-CE1 4.43Å; T367-Y373 CarbonylContact C-O 3.58Å; T367-Y373 VanDerWaalsContact CA-O 3.29Å; T367-Y373 WeakPolarHBondContact CA-O 3.3Å; G368-Y373 PolarHBondContact N-O 3.23Å; S371-Y373 PolarHBondContact O-N 2.64Å; S371-Y373 VanDerWaalsContact OG-CB 3.3Å; S371-Y373 WeakPolarHBondContact OG-CB 3.2Å; S371-Y373 PolarHBondContact OG-N 3.18Å; Y373-R375 HydrophobicContact CE1-CB 3.8Å; Y373-R375 HydrophobicContact CE1-CG 3.86Å; Y373-R375 HydrophobicContact CE2-CG 4.25Å | ||
| 374 | Q | 51.7 | Low | 53.4 | Low | 117 Ų | 117 | 52.6 Ų | 52.6 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.9 | 173 | -166.8 | 179.1 | -32.1 | 0 | 0 | 110.9 | R365 I366 G372 | R365-Q374 HydrophobicContact CG-CG 4.38Å; I366-Q374 WeakPolarHBondContact O-CA 3.42Å; G372-Q374 PolarHBondContact O-N 3.26Å |
| 375 | R | 54.7 | Low | 51.5 | Low | 159 Ų | 159 | 54.5 Ų | 54.5 | 60% | 0.6 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 125.3 | 174.7 | -81.1 | -65.1 | -168 | 176.8 | -0.7 | 111 | I366 Y373 | I366-R375 WeakPolarHBondContact CB-O 2.96Å; I366-R375 PolarHBondContact N-O 3.07Å; I366-R375 PolarHBondContact O-N 2.92Å; Y373-R375 HydrophobicContact CE1-CB 3.8Å; Y373-R375 HydrophobicContact CE1-CG 3.86Å; Y373-R375 HydrophobicContact CE2-CG 4.25Å |
| 376 | D | 65.8 | Low | 49.5 | Very low | 74 Ų | 74 | 60.8 Ų | 60.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.5 | 166.4 | -64.5 | 2.9 | 0 | 0 | 0 | 108.4 | V364 R365 | V364-D376 CarbonylContact O-C 3.49Å; V364-D376 WeakPolarHBondContact O-CA 3.47Å; R365-D376 WeakPolarHBondContact CB-OD1 3.14Å; R365-D376 VanDerWaalsContact CG-OD1 3.27Å; R365-D376 WeakPolarHBondContact CG-OD1 3.43Å; R365-D376 IonicContact CZ-OD1 3.31Å; R365-D376 IonicContact CZ-OD2 3.94Å; R365-D376 IonicContact NE-OD1 3.72Å; R365-D376 PolarHBondContact NE-OD1 3.23Å; R365-D376 IonicContact NE-OD2 2.88Å; R365-D376 PolarHBondContact NE-OD2 3.28Å; R365-D376 IonicContact NH2-OD1 3.37Å; R365-D376 IonicContact NH2-OD2 3.83Å; R365-D376 PolarHBondContact NH2-OD2 2.83Å |
| 377 | L | 62.4 | Low | 47.9 | Very low | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 165 | 163.2 | -57.2 | -172.5 | 0 | 0 | 0 | 109.1 | I296 R311 I313 S363 V364 I366 | I296-L377 HydrophobicContact CG2-CD1 4.2Å; R311-L377 HydrophobicContact CB-CD1 4.24Å; I313-L377 HydrophobicContact CD1-CB 3.89Å; I313-L377 HydrophobicContact CG1-CB 4.3Å; I313-L377 HydrophobicContact CG1-CD1 4.18Å; S363-L377 CarbonylContact C-O 3.54Å; S363-L377 WeakPolarHBondContact CA-O 3.08Å; V364-L377 HydrophobicContact CG1-CB 3.85Å; V364-L377 PolarHBondContact N-O 2.88Å; V364-L377 PolarHBondContact O-N 3.1Å; I366-L377 HydrophobicContact CD1-CD1 3.55Å; I366-L377 HydrophobicContact CD1-CG 3.77Å |
| 378 | S | 58.3 | Low | 46.7 | Very low | 42 Ų | 42 | 68.9 Ų | 68.9 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 135.6 | 168.3 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | R361 Y362 S363 | R361-S378 PolarHBondContact NE-OG 3.43Å; R361-S378 PolarHBondContact NH2-OG 3.3Å; Y362-S378 CarbonylContact O-C 3.49Å; Y362-S378 WeakPolarHBondContact O-CA 3.03Å; S363-S378 WeakPolarHBondContact OG-CB 3.07Å |
| 379 | T | 46.9 | Very low | 45.3 | Very low | 27 Ų | 27 | 75.5 Ų | 75.5 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | trans | -98.7 | 169 | 162.6 | -166.3 | 0 | 0 | 0 | 0 | 109.3 | F294 W333 Y362 I381 | F294-T379 HydrophobicContact CD1-CG2 3.94Å; F294-T379 HydrophobicContact CE1-CG2 4.11Å; W333-T379 HydrophobicContact CZ3-CG2 4.32Å; Y362-T379 CarbonylContact C-O 3.58Å; Y362-T379 PolarHBondContact N-O 2.79Å; Y362-T379 VanDerWaalsContact N-O 3.1Å; Y362-T379 PolarHBondContact O-N 2.84Å; T379-I381 HydrophobicContact CG2-CG1 4.37Å | ||
| 380 | Y | 56.5 | Low | 44.3 | Very low | 110 Ų | 110 | 74.3 Ų | 74.3 | 43% | 0.431 | 40% | 0.397 | S | S | . | . | trans | -118.3 | 147.1 | 165.1 | -72.9 | -105.4 | 0 | 0 | 0 | 107.4 | G360 R361 T393 | G360-Y380 CarbonylContact O-C 3.32Å; G360-Y380 WeakPolarHBondContact O-CA 3.38Å; R361-Y380 HydrophobicContact CB-CD1 3.75Å; R361-Y380 HydrophobicContact CB-CE1 3.51Å; R361-Y380 HydrophobicContact CB-CG 4.41Å; R361-Y380 WeakPolarHBondContact CD-OH 3.47Å; R361-Y380 HydrophobicContact CG-CD1 4.04Å; R361-Y380 HydrophobicContact CG-CD2 4.23Å; R361-Y380 HydrophobicContact CG-CE1 3.66Å; R361-Y380 HydrophobicContact CG-CE2 3.86Å; R361-Y380 HydrophobicContact CG-CG 4.32Å; Y380-T393 VanDerWaalsContact C-OG1 3.32Å; Y380-T393 VanDerWaalsContact CB-CG2 3.43Å; Y380-T393 WeakPolarHBondContact O-CB 3.48Å; Y380-T393 WeakPolarHBondContact O-CG2 3.2Å; Y380-T393 PolarHBondContact O-OG1 3.36Å | ||
| 381 | I | 51.9 | Low | 43.4 | Very low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | trans | -122.5 | 121.7 | 172.2 | -46.4 | -179.7 | 0 | 0 | 0 | 107.8 | F294 L349 I351 F353 F359 G360 Y362 T379 T393 | F294-I381 HydrophobicContact CD2-CD1 4.24Å; F294-I381 HydrophobicContact CE1-CD1 4.31Å; F294-I381 HydrophobicContact CE1-CG1 4.11Å; F294-I381 HydrophobicContact CE2-CD1 3.4Å; F294-I381 VanDerWaalsContact CE2-CD1 3.4Å; F294-I381 HydrophobicContact CE2-CG1 4.04Å; F294-I381 HydrophobicContact CZ-CD1 3.46Å; F294-I381 VanDerWaalsContact CZ-CD1 3.46Å; F294-I381 HydrophobicContact CZ-CG1 3.53Å; F294-I381 HydrophobicContact CZ-CG2 4.31Å; L349-I381 HydrophobicContact CD2-CD1 4.18Å; I351-I381 HydrophobicContact CD1-CD1 3.41Å; I351-I381 VanDerWaalsContact CD1-CD1 3.41Å; F353-I381 HydrophobicContact CD1-CG2 4.47Å; F353-I381 HydrophobicContact CE1-CB 4.37Å; F353-I381 HydrophobicContact CE1-CD1 4.21Å; F353-I381 HydrophobicContact CE1-CG2 3.47Å; F353-I381 VanDerWaalsContact CE1-CG2 3.47Å; F353-I381 HydrophobicContact CZ-CD1 4.22Å; F353-I381 HydrophobicContact CZ-CG2 3.63Å; F359-I381 CarbonylContact C-O 3.6Å; F359-I381 WeakPolarHBondContact CA-O 3.46Å; F359-I381 HydrophobicContact CD1-CG2 4.02Å; F359-I381 HydrophobicContact CE1-CG2 4.36Å; G360-I381 PolarHBondContact N-O 2.78Å; G360-I381 PolarHBondContact O-N 3.22Å; Y362-I381 HydrophobicContact CD2-CB 3.93Å; Y362-I381 HydrophobicContact CD2-CD1 3.39Å; Y362-I381 HydrophobicContact CD2-CG1 3.52Å; Y362-I381 HydrophobicContact CE2-CB 4.11Å; Y362-I381 HydrophobicContact CE2-CD1 3.75Å; Y362-I381 HydrophobicContact CE2-CG1 4.09Å; Y362-I381 HydrophobicContact CG-CD1 3.84Å; Y362-I381 HydrophobicContact CG-CG1 4.24Å; T379-I381 HydrophobicContact CG2-CG1 4.37Å; I381-T393 WeakPolarHBondContact CA-OG1 3.36Å | ||
| 382 | T | 45.7 | Very low | 42.8 | Very low | 23 Ų | 23 | 76.9 Ų | 76.9 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | trans | -128.5 | 150.5 | 169.4 | 60.7 | 0 | 0 | 0 | 0 | 110 | T393 | T382-T393 HydrophobicContact CG2-CG2 3.66Å; T382-T393 PolarHBondContact N-OG1 2.68Å; T382-T393 WeakPolarHBondContact OG1-CA 3.41Å; T382-T393 WeakPolarHBondContact OG1-CG2 3.32Å | ||
| 383 | L | 41.8 | Very low | 42.3 | Very low | 73 Ų | 73 | 75 Ų | 75 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | trans | -48.1 | 147.5 | 160.7 | -77.5 | 147.7 | 0 | 0 | 0 | 109.6 | F359 I465 | F359-L383 HydrophobicContact CD1-CB 4.5Å; F359-L383 HydrophobicContact CD1-CG 4.02Å; F359-L383 HydrophobicContact CD2-CD1 3.9Å; F359-L383 HydrophobicContact CD2-CG 3.81Å; F359-L383 HydrophobicContact CE1-CB 4.42Å; F359-L383 HydrophobicContact CE1-CD2 4.25Å; F359-L383 HydrophobicContact CE1-CG 3.81Å; F359-L383 HydrophobicContact CE2-CD1 3.98Å; F359-L383 HydrophobicContact CE2-CD2 3.87Å; F359-L383 HydrophobicContact CE2-CG 3.59Å; F359-L383 HydrophobicContact CG-CD1 4.3Å; F359-L383 HydrophobicContact CG-CG 3.99Å; F359-L383 HydrophobicContact CZ-CD1 4.44Å; F359-L383 HydrophobicContact CZ-CD2 3.66Å; F359-L383 HydrophobicContact CZ-CG 3.56Å; L383-I465 HydrophobicContact CB-CD1 3.58Å; L383-I465 WeakPolarHBondContact O-CD1 3.23Å | ||
| 384 | D | 33 | Very low | 42.3 | Very low | 31 Ų | 31 | 73.9 Ų | 73.9 | 17% | 0.166 | 38% | 0.378 | C | S | . | . | trans | -131.6 | 112.9 | 141.2 | -148.4 | 18.7 | 0 | 0 | 0 | 108.8 | R386 N463 | D384-R386 PolarHBondContact O-N 2.96Å; D384-N463 WeakPolarHBondContact OD1-CB 3.37Å; D384-N463 PolarHBondContact OD1-ND2 3.4Å; D384-N463 PolarHBondContact OD2-ND2 3.48Å | ||
| 385 | G | 31.7 | Very low | 42.7 | Very low | 39 Ų | 39 | 70.2 Ų | 70.2 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | trans | -91.2 | 74.9 | -155.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N463 | G385-N463 VanDerWaalsContact N-CB 3.33Å; G385-N463 PolarHBondContact N-ND2 3.35Å; G385-N463 PolarHBondContact O-OD1 3.26Å | ||
| 386 | R | 31.4 | Very low | 43.5 | Very low | 208 Ų | 208 | 63.6 Ų | 63.6 | 79% | 0.785 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -163.3 | 131.9 | 153 | -101.7 | 146.2 | -152.1 | -106.5 | 1 | 111.6 | D384 G388 | D384-R386 PolarHBondContact O-N 2.96Å; R386-G388 PolarHBondContact O-N 2.76Å |
| 387 | N | 27.9 | Very low | 43.8 | Very low | 157 Ų | 157 | 62 Ų | 62 | 84% | 0.84 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 74.4 | -4.3 | 177.6 | -63.1 | 6.6 | 0 | 0 | 0 | 119.1 | E389 | N387-E389 VanDerWaalsContact C-N 3.3Å; N387-E389 PolarHBondContact O-N 3.04Å |
| 388 | G | 30.8 | Very low | 44.6 | Very low | 54 Ų | 54 | 61.6 Ų | 61.6 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 81.2 | -2.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R386 V390 | R386-G388 PolarHBondContact O-N 2.76Å; G388-V390 PolarHBondContact O-N 2.82Å |
| 389 | E | 25.4 | Very low | 45.2 | Very low | 141 Ų | 141 | 66.2 Ų | 66.2 | 66% | 0.659 | 35% | 0.345 | S | S | * | . | trans | -61.1 | 121.9 | 157.7 | -68.9 | 174.4 | 119.4 | 0 | 0 | 108.4 | N387 E391 | N387-E389 VanDerWaalsContact C-N 3.3Å; N387-E389 PolarHBondContact O-N 3.04Å; E389-E391 VanDerWaalsContact C-N 3.28Å; E389-E391 PolarHBondContact O-N 3.18Å | ||
| 390 | V | 26.4 | Very low | 46 | Very low | 34 Ų | 34 | 70.7 Ų | 70.7 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | trans | -85.9 | 72.8 | -175.5 | -161.6 | 0 | 0 | 0 | 0 | 109.8 | I290 L292 F353 G388 | I290-V390 HydrophobicContact CB-CG2 4.43Å; I290-V390 HydrophobicContact CG2-CG2 3.97Å; L292-V390 HydrophobicContact CD1-CB 3.8Å; L292-V390 HydrophobicContact CD1-CG1 3.44Å; L292-V390 VanDerWaalsContact CD1-CG1 3.44Å; L292-V390 HydrophobicContact CD2-CB 4.12Å; L292-V390 HydrophobicContact CG-CB 3.85Å; L292-V390 HydrophobicContact CG-CG1 3.93Å; L292-V390 HydrophobicContact CG-CG2 4.46Å; F353-V390 HydrophobicContact CD2-CG1 4.19Å; F353-V390 HydrophobicContact CD2-CG2 4.38Å; F353-V390 HydrophobicContact CE2-CG1 3.86Å; F353-V390 HydrophobicContact CE2-CG2 4.48Å; F353-V390 HydrophobicContact CZ-CG1 4.47Å; G388-V390 PolarHBondContact O-N 2.82Å | ||
| 391 | E | 28 | Very low | 46 | Very low | 117 Ų | 117 | 70.2 Ų | 70.2 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | trans | -69.3 | 153.2 | -178.7 | -82.8 | -139.8 | 119.6 | 0 | 0 | 113.8 | E389 T393 | E389-E391 VanDerWaalsContact C-N 3.28Å; E389-E391 PolarHBondContact O-N 3.18Å; E391-T393 PolarHBondContact O-N 3.2Å | ||
| 392 | P | 33.2 | Very low | 45.7 | Very low | 63 Ų | 63 | 71.4 Ų | 71.4 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | trans | -73.3 | 117.9 | -164.3 | 27.2 | -36 | 0 | 0 | 0 | 114.8 | P419 | P392-P419 HydrophobicContact CB-CG 4.48Å; P392-P419 HydrophobicContact CG-CG 4.24Å; P392-P419 WeakPolarHBondContact O-CG 3.2Å | ||
| 393 | T | 36.8 | Very low | 46.1 | Very low | 22 Ų | 22 | 72.8 Ų | 72.8 | 14% | 0.135 | 40% | 0.395 | C | S | . | . | trans | -17.2 | 125.7 | 165.8 | -45.1 | 0 | 0 | 0 | 0 | 118.1 | Y380 I381 T382 E391 P419 | Y380-T393 VanDerWaalsContact C-OG1 3.32Å; Y380-T393 VanDerWaalsContact CB-CG2 3.43Å; Y380-T393 WeakPolarHBondContact O-CB 3.48Å; Y380-T393 WeakPolarHBondContact O-CG2 3.2Å; Y380-T393 PolarHBondContact O-OG1 3.36Å; I381-T393 WeakPolarHBondContact CA-OG1 3.36Å; T382-T393 HydrophobicContact CG2-CG2 3.66Å; T382-T393 PolarHBondContact N-OG1 2.68Å; T382-T393 WeakPolarHBondContact OG1-CA 3.41Å; T382-T393 WeakPolarHBondContact OG1-CG2 3.32Å; E391-T393 PolarHBondContact O-N 3.2Å; T393-P419 WeakPolarHBondContact O-CD 3.26Å | ||
| 394 | Y | 47.6 | Very low | 46.7 | Very low | 21 Ų | 21 | 72.9 Ų | 72.9 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | trans | -92.1 | 111.5 | 174.6 | -59.3 | -63.8 | 0 | 0 | 0 | 111.3 | P417 P419 N421 L461 L467 | Y394-P417 HydrophobicContact CD1-CB 4.28Å; Y394-P419 HydrophobicContact CD1-CG 4.06Å; Y394-P419 WeakPolarHBondContact CD1-O 3.18Å; Y394-P419 HydrophobicContact CE1-CG 3.82Å; Y394-P419 WeakPolarHBondContact CE1-O 3.36Å; Y394-N421 HydrophobicContact CD1-CB 4.12Å; Y394-N421 HydrophobicContact CE1-CB 3.62Å; Y394-N421 HydrophobicContact CE2-CB 4.41Å; Y394-N421 WeakPolarHBondContact CE2-ND2 3.24Å; Y394-N421 VanDerWaalsContact CZ-ND2 3.3Å; Y394-N421 PolarHBondContact OH-ND2 2.93Å; Y394-N421 VanDerWaalsContact OH-ND2 3.09Å; Y394-L461 HydrophobicContact CD2-CD1 3.61Å; Y394-L461 HydrophobicContact CD2-CD2 3.36Å; Y394-L461 HydrophobicContact CD2-CG 4.14Å; Y394-L461 HydrophobicContact CE2-CD1 4.49Å; Y394-L461 HydrophobicContact CE2-CD2 3.8Å; Y394-L461 HydrophobicContact CG-CD1 4.28Å; Y394-L461 HydrophobicContact CG-CD2 3.84Å; Y394-L467 WeakPolarHBondContact O-CD1 3.46Å; Y394-L467 WeakPolarHBondContact O-CD2 3.2Å | ||
| 395 | S | 60.6 | Low | 47.9 | Very low | 41 Ų | 41 | 72.1 Ų | 72.1 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.4 | 164.5 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | P417 R418 | S395-P417 CarbonylContact O-C 3.49Å; S395-P417 WeakPolarHBondContact O-CA 3.15Å; S395-R418 PolarHBondContact N-O 2.63Å; S395-R418 PolarHBondContact O-N 3.34Å; S395-R418 PolarHBondContact OG-O 2.87Å; S395-R418 VanDerWaalsContact OG-O 3.04Å |
| 396 | V | 70.9 | Confident | 49.2 | Very low | 20 Ų | 20 | 73.2 Ų | 73.2 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.2 | 170.2 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | I398 C415 C457 I459 L467 Q469 | V396-I398 HydrophobicContact CG1-CG1 4.5Å; V396-C415 WeakPolarHBondContact CG1-SG 3.36Å; V396-C457 HydrophobicContact CG1-CB 4.44Å; V396-I459 HydrophobicContact CB-CD1 4.44Å; V396-I459 HydrophobicContact CG1-CD1 3.99Å; V396-I459 HydrophobicContact CG1-CG1 4.33Å; V396-I459 HydrophobicContact CG2-CD1 4.08Å; V396-I459 HydrophobicContact CG2-CG1 4.13Å; V396-L467 HydrophobicContact CG2-CB 3.55Å; V396-L467 HydrophobicContact CG2-CD1 4.27Å; V396-Q469 HydrophobicContact CB-CB 3.7Å; V396-Q469 HydrophobicContact CG1-CB 3.73Å; V396-Q469 HydrophobicContact CG2-CB 4.32Å; V396-Q469 PolarHBondContact O-OE1 2.9Å; V396-Q469 VanDerWaalsContact O-OE1 3.13Å |
| 397 | V | 73.1 | Confident | 50.7 | Low | 41 Ų | 41 | 65.1 Ų | 65.1 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.8 | 169.1 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | R399 S416 R418 | V397-R399 HydrophobicContact CG1-CG 4.19Å; V397-S416 PolarHBondContact N-O 2.84Å; V397-S416 PolarHBondContact O-N 3.11Å; V397-R418 HydrophobicContact CG2-CB 3.77Å |
| 398 | I | 79.1 | Confident | 52 | Low | 29 Ų | 29 | 60.7 Ų | 60.7 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.3 | 162.3 | -64.6 | 170.7 | 0 | 0 | 0 | 109 | V396 L413 E414 C415 W428 C457 Q469 V471 | V396-I398 HydrophobicContact CG1-CG1 4.5Å; I398-L413 HydrophobicContact CG2-CB 4.46Å; I398-L413 HydrophobicContact CG2-CD2 4.28Å; I398-E414 CarbonylContact C-O 3.57Å; I398-E414 WeakPolarHBondContact CA-O 3.43Å; I398-C415 HydrophobicContact CG1-CB 4.42Å; I398-W428 HydrophobicContact CB-CH2 4.48Å; I398-W428 HydrophobicContact CD1-CH2 3.81Å; I398-W428 HydrophobicContact CD1-CZ3 3.91Å; I398-W428 HydrophobicContact CG1-CH2 3.81Å; I398-W428 HydrophobicContact CG1-CZ3 4.41Å; I398-W428 HydrophobicContact CG2-CH2 3.9Å; I398-C457 HydrophobicContact CD1-CB 4.01Å; I398-C457 HydrophobicContact CG1-CB 4.13Å; I398-Q469 HydrophobicContact CD1-CB 4.26Å; I398-Q469 HydrophobicContact CD1-CG 4.06Å; I398-V471 HydrophobicContact CD1-CB 4.26Å; I398-V471 HydrophobicContact CD1-CG1 4.21Å; I398-V471 HydrophobicContact CG2-CG1 4.42Å |
| 399 | R | 69.6 | Low | 53.3 | Low | 138 Ų | 138 | 59.4 Ų | 59.4 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.2 | 172.7 | -78.2 | 163.2 | 165.9 | 180 | -2.8 | 110 | V397 I401 L413 E414 | V397-R399 HydrophobicContact CG1-CG 4.19Å; R399-I401 PolarHBondContact O-N 2.95Å; R399-L413 WeakPolarHBondContact O-CA 3.21Å; R399-E414 HydrophobicContact CB-CB 4.34Å; R399-E414 WeakPolarHBondContact CD-OE2 3.42Å; R399-E414 IonicContact CZ-OE2 2.81Å; R399-E414 PolarHBondContact N-O 2.88Å; R399-E414 IonicContact NE-OE2 3.44Å; R399-E414 IonicContact NH1-OE2 2.98Å; R399-E414 PolarHBondContact NH1-OE2 3Å; R399-E414 PolarHBondContact O-N 3.48Å |
| 400 | E | 63.5 | Low | 55.3 | Low | 122 Ų | 122 | 60.1 Ų | 60.1 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 110 | 162.1 | -71.1 | -179.4 | 168.3 | 0 | 0 | 108.7 | L413 | E400-L413 HydrophobicContact CB-CD2 4.47Å; E400-L413 HydrophobicContact CG-CD2 3.62Å |
| 401 | I | 57.2 | Low | 57.5 | Low | 99 Ų | 99 | 58.6 Ų | 58.6 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -84.3 | -23.6 | 172.6 | -67.3 | -176 | 0 | 0 | 0 | 110.3 | R399 E412 E414 | R399-I401 PolarHBondContact O-N 2.95Å; I401-E412 HydrophobicContact CB-CG 4.43Å; I401-E412 PolarHBondContact N-O 2.97Å; I401-E414 HydrophobicContact CD1-CB 3.53Å; I401-E414 HydrophobicContact CG1-CB 4.1Å |
| 402 | S | 46.4 | Very low | 59.8 | Low | 27 Ų | 27 | 54.6 Ų | 54.6 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -108.6 | 147 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | L411 E412 | S402-L411 WeakPolarHBondContact OG-CA 3.44Å; S402-L411 VanDerWaalsContact OG-CD1 3.3Å; S402-L411 WeakPolarHBondContact OG-CD1 3.22Å; S402-E412 PolarHBondContact OG-N 2.95Å; S402-E412 PolarHBondContact OG-O 2.86Å |
| 403 | G | 52.6 | Low | 61.9 | Low | 52 Ų | 52 | 51.6 Ų | 51.6 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | trans | -68.4 | -168.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 404 | P | 55.3 | Low | 63.7 | Low | 75 Ų | 75 | 53 Ų | 53 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -66.5 | 159.6 | -161 | 28.2 | -38 | 0 | 0 | 0 | 115.2 | Y406 S1748 | P404-Y406 HydrophobicContact CG-CE2 4.45Å; P404-Y406 VanDerWaalsContact O-CD2 3.27Å; P404-Y406 WeakPolarHBondContact O-CD2 3.25Å; P404-Y406 WeakPolarHBondContact O-CE2 3.34Å; P404-S1748 WeakPolarHBondContact CG-OG 3.38Å |
| 405 | L | 57.5 | Low | 65.2 | Low | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | trans | -98.8 | 109.4 | -151.3 | -168 | 56.5 | 0 | 0 | 0 | 114.1 | L411 F447 L473 S476 | L405-L411 HydrophobicContact CD1-CB 3.74Å; L405-L411 HydrophobicContact CD1-CD1 3.99Å; L405-L411 HydrophobicContact CD1-CD2 3.96Å; L405-L411 HydrophobicContact CD1-CG 4.1Å; L405-L411 HydrophobicContact CD2-CD2 4.26Å; L405-F447 HydrophobicContact CD1-CB 3.79Å; L405-F447 HydrophobicContact CD1-CD1 3.86Å; L405-F447 HydrophobicContact CD1-CD2 3.79Å; L405-F447 HydrophobicContact CD1-CE1 4.4Å; L405-F447 HydrophobicContact CD1-CE2 4.35Å; L405-F447 HydrophobicContact CD1-CG 3.51Å; L405-F447 HydrophobicContact CD2-CD1 3.94Å; L405-F447 HydrophobicContact CD2-CD2 4.22Å; L405-F447 HydrophobicContact CD2-CE1 3.63Å; L405-F447 HydrophobicContact CD2-CE2 3.96Å; L405-F447 HydrophobicContact CD2-CG 4.21Å; L405-F447 HydrophobicContact CD2-CZ 3.65Å; L405-F447 HydrophobicContact CG-CD1 3.78Å; L405-F447 HydrophobicContact CG-CD2 4.38Å; L405-F447 HydrophobicContact CG-CE1 4Å; L405-F447 HydrophobicContact CG-CG 3.98Å; L405-F447 HydrophobicContact CG-CZ 4.4Å; L405-L473 HydrophobicContact CD2-CB 3.78Å; L405-L473 HydrophobicContact CD2-CD2 4.18Å; L405-L473 HydrophobicContact CD2-CG 4.45Å; L405-S476 PolarHBondContact O-N 3.31Å | ||
| 406 | Y | 59.8 | Low | 65.8 | Low | 61 Ų | 61 | 51.6 Ų | 51.6 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | trans | -113 | 161.4 | 177 | -54.1 | -85.9 | 0 | 0 | 0 | 112.5 | P404 N408 A409 S476 S1748 | P404-Y406 HydrophobicContact CG-CE2 4.45Å; P404-Y406 VanDerWaalsContact O-CD2 3.27Å; P404-Y406 WeakPolarHBondContact O-CD2 3.25Å; P404-Y406 WeakPolarHBondContact O-CE2 3.34Å; Y406-N408 PolarHBondContact O-N 2.72Å; Y406-A409 VanDerWaalsContact O-CB 3.26Å; Y406-A409 WeakPolarHBondContact O-CB 3.4Å; Y406-A409 PolarHBondContact O-N 3.39Å; Y406-A409 VanDerWaalsContact O-N 3.12Å; Y406-S476 WeakPolarHBondContact CD1-O 3.31Å; Y406-S476 WeakPolarHBondContact CE1-O 3.25Å; Y406-S1748 PolarHBondContact OH-N 2.03Å; Y406-S1748 PolarHBondContact OH-OG 2.62Å | ||
| 407 | L | 64 | Low | 65.5 | Low | 39 Ų | 39 | 51.1 Ų | 51.1 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 135.6 | 169.5 | -76.9 | 162.1 | 0 | 0 | 0 | 111.6 | A409 P449 V475 | L407-A409 PolarHBondContact O-N 2.8Å; L407-P449 HydrophobicContact CD2-CB 4.39Å; L407-P449 HydrophobicContact CD2-CG 3.59Å; L407-V475 HydrophobicContact CD1-CG1 4.06Å; L407-V475 HydrophobicContact CD2-CG2 4.12Å; L407-V475 HydrophobicContact CG-CG1 3.78Å; L407-V475 HydrophobicContact CG-CG2 4.08Å |
| 408 | N | 53.6 | Low | 64.4 | Low | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 2.7 | -171.1 | -58.5 | -55.9 | 0 | 0 | 0 | 116.5 | Y406 F447 Q448 S479 | Y406-N408 PolarHBondContact O-N 2.72Å; N408-F447 PolarHBondContact N-O 3.37Å; N408-Q448 PolarHBondContact OD1-NE2 3.38Å; N408-S479 PolarHBondContact ND2-OG 2.98Å |
| 409 | A | 57.8 | Low | 62.5 | Low | 26 Ų | 26 | 58.5 Ų | 58.5 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | trans | -69.1 | 152.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y406 L407 R446 F447 | Y406-A409 VanDerWaalsContact O-CB 3.26Å; Y406-A409 WeakPolarHBondContact O-CB 3.4Å; Y406-A409 PolarHBondContact O-N 3.39Å; Y406-A409 VanDerWaalsContact O-N 3.12Å; L407-A409 PolarHBondContact O-N 2.8Å; A409-R446 CarbonylContact O-C 3.33Å; A409-R446 WeakPolarHBondContact O-CA 3.47Å; A409-F447 PolarHBondContact O-N 3.03Å | ||
| 410 | R | 69 | Low | 61.7 | Low | 156 Ų | 156 | 57.7 Ų | 57.7 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | trans | -81.8 | 120.8 | 165.3 | 174.9 | 178 | 165.9 | -167.4 | -2.7 | 109.2 | E412 V443 F444 | R410-E412 IonicContact CZ-OE2 3.15Å; R410-E412 IonicContact NE-OE2 2.71Å; R410-E412 IonicContact NH2-OE2 3.51Å; R410-E412 PolarHBondContact NH2-OE2 2.76Å; R410-V443 HydrophobicContact CG-CG1 4.28Å; R410-F444 VanDerWaalsContact CA-O 3.22Å; R410-F444 WeakPolarHBondContact CA-O 3.5Å | ||
| 411 | L | 72.7 | Confident | 61.3 | Low | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.9 | 168.1 | -177.8 | 77.1 | 0 | 0 | 0 | 109.3 | S402 L405 L413 V443 F444 F447 L473 | S402-L411 WeakPolarHBondContact OG-CA 3.44Å; S402-L411 VanDerWaalsContact OG-CD1 3.3Å; S402-L411 WeakPolarHBondContact OG-CD1 3.22Å; L405-L411 HydrophobicContact CD1-CB 3.74Å; L405-L411 HydrophobicContact CD1-CD1 3.99Å; L405-L411 HydrophobicContact CD1-CD2 3.96Å; L405-L411 HydrophobicContact CD1-CG 4.1Å; L405-L411 HydrophobicContact CD2-CD2 4.26Å; L411-L413 HydrophobicContact CD1-CD2 4.33Å; L411-L413 HydrophobicContact CD2-CD1 4Å; L411-L413 HydrophobicContact CD2-CD2 4.28Å; L411-L413 HydrophobicContact CD2-CG 3.98Å; L411-L413 HydrophobicContact CG-CD2 4.4Å; L411-L413 HydrophobicContact CG-CG 4.18Å; L411-V443 CarbonylContact O-C 3.53Å; L411-V443 WeakPolarHBondContact O-CA 3.28Å; L411-F444 HydrophobicContact CB-CB 4.39Å; L411-F444 HydrophobicContact CB-CD2 4.01Å; L411-F444 HydrophobicContact CD2-CD2 3.82Å; L411-F444 HydrophobicContact CD2-CE2 3.91Å; L411-F444 HydrophobicContact CG-CD2 4.3Å; L411-F444 PolarHBondContact N-O 2.9Å; L411-F444 PolarHBondContact O-N 3.39Å; L411-F447 HydrophobicContact CD2-CD2 4.45Å; L411-F447 HydrophobicContact CD2-CE2 4.44Å; L411-L473 HydrophobicContact CD2-CD1 3.6Å; L411-L473 HydrophobicContact CD2-CD2 3.83Å; L411-L473 HydrophobicContact CD2-CG 4.33Å |
| 412 | E | 76.5 | Confident | 61.3 | Low | 32 Ų | 32 | 53.7 Ų | 53.7 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.8 | 169 | 178.8 | 153.9 | -171.1 | 0 | 0 | 110.7 | I401 S402 R410 N441 I442 V443 | I401-E412 HydrophobicContact CB-CG 4.43Å; I401-E412 PolarHBondContact N-O 2.97Å; S402-E412 PolarHBondContact OG-N 2.95Å; S402-E412 PolarHBondContact OG-O 2.86Å; R410-E412 IonicContact CZ-OE2 3.15Å; R410-E412 IonicContact NE-OE2 2.71Å; R410-E412 IonicContact NH2-OE2 3.51Å; R410-E412 PolarHBondContact NH2-OE2 2.76Å; E412-N441 PolarHBondContact OE1-ND2 2.88Å; E412-I442 WeakPolarHBondContact CA-O 3.44Å; E412-V443 HydrophobicContact CB-CG2 4.29Å; E412-V443 HydrophobicContact CG-CG2 3.87Å |
| 413 | L | 75.6 | Confident | 61.8 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.2 | 175.9 | -57.3 | 167.4 | 0 | 0 | 0 | 108.6 | I398 R399 E400 L411 W428 N441 I442 V471 L473 | I398-L413 HydrophobicContact CG2-CB 4.46Å; I398-L413 HydrophobicContact CG2-CD2 4.28Å; R399-L413 WeakPolarHBondContact O-CA 3.21Å; E400-L413 HydrophobicContact CB-CD2 4.47Å; E400-L413 HydrophobicContact CG-CD2 3.62Å; L411-L413 HydrophobicContact CD1-CD2 4.33Å; L411-L413 HydrophobicContact CD2-CD1 4Å; L411-L413 HydrophobicContact CD2-CD2 4.28Å; L411-L413 HydrophobicContact CD2-CG 3.98Å; L411-L413 HydrophobicContact CG-CD2 4.4Å; L411-L413 HydrophobicContact CG-CG 4.18Å; L413-W428 HydrophobicContact CB-CH2 3.6Å; L413-W428 HydrophobicContact CB-CZ2 3.72Å; L413-W428 HydrophobicContact CD1-CH2 3.76Å; L413-W428 HydrophobicContact CD1-CZ3 3.94Å; L413-W428 HydrophobicContact CG-CH2 4.31Å; L413-N441 WeakPolarHBondContact O-CA 3.11Å; L413-I442 HydrophobicContact CB-CG2 3.83Å; L413-I442 HydrophobicContact CD1-CG2 3.75Å; L413-I442 HydrophobicContact CG-CG2 4.2Å; L413-I442 PolarHBondContact N-O 3.44Å; L413-I442 VanDerWaalsContact N-O 3.08Å; L413-I442 PolarHBondContact O-N 2.82Å; L413-V471 HydrophobicContact CD1-CG1 3.79Å; L413-L473 HydrophobicContact CD1-CD1 4.05Å; L413-L473 HydrophobicContact CD1-CD2 4.18Å |
| 414 | E | 75.7 | Confident | 62.5 | Low | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.6 | 166.4 | 165 | -178.1 | -112.3 | 0 | 0 | 108.6 | I398 R399 I401 | I398-E414 CarbonylContact C-O 3.57Å; I398-E414 WeakPolarHBondContact CA-O 3.43Å; R399-E414 HydrophobicContact CB-CB 4.34Å; R399-E414 WeakPolarHBondContact CD-OE2 3.42Å; R399-E414 IonicContact CZ-OE2 2.81Å; R399-E414 PolarHBondContact N-O 2.88Å; R399-E414 IonicContact NE-OE2 3.44Å; R399-E414 IonicContact NH1-OE2 2.98Å; R399-E414 PolarHBondContact NH1-OE2 3Å; R399-E414 PolarHBondContact O-N 3.48Å; I401-E414 HydrophobicContact CD1-CB 3.53Å; I401-E414 HydrophobicContact CG1-CB 4.1Å |
| 415 | C | 79.3 | Confident | 63.5 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.4 | 166.6 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V396 I398 I426 W428 S440 C457 | V396-C415 WeakPolarHBondContact CG1-SG 3.36Å; I398-C415 HydrophobicContact CG1-CB 4.42Å; C415-I426 HydrophobicContact CB-CG2 4.26Å; C415-I426 WeakPolarHBondContact O-CD1 3.46Å; C415-W428 HydrophobicContact CB-CH2 4.28Å; C415-W428 HydrophobicContact CB-CZ2 3.46Å; C415-W428 VanDerWaalsContact CB-CZ2 3.46Å; C415-S440 WeakPolarHBondContact CB-O 3.4Å; C415-S440 PolarHBondContact N-O 3.1Å; C415-C457 HydrophobicContact CB-CB 3.76Å; C415-C457 WeakPolarHBondContact CB-SG 3.07Å; C415-C457 WeakPolarHBondContact SG-CB 3.35Å; C415-C457 CovalentContact SG-SG 2.02Å; C415-C457 PolarHBondContact SG-SG 2.84Å |
| 416 | S | 72.6 | Confident | 64.5 | Low | 30 Ų | 30 | 57.7 Ų | 57.7 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.4 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | V397 | V397-S416 PolarHBondContact N-O 2.84Å; V397-S416 PolarHBondContact O-N 3.11Å |
| 417 | P | 64.5 | Low | 65.5 | Low | 11 Ų | 11 | 55.9 Ų | 55.9 | 7% | 0.071 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 144.6 | 165.7 | 32.5 | -31.9 | 0 | 0 | 0 | 109.8 | Y394 S395 P419 P420 N421 A424 I459 | Y394-P417 HydrophobicContact CD1-CB 4.28Å; S395-P417 CarbonylContact O-C 3.49Å; S395-P417 WeakPolarHBondContact O-CA 3.15Å; P417-P419 CarbonylContact C-O 3.58Å; P417-P419 VanDerWaalsContact C-O 3.24Å; P417-P419 CarbonylContact O-C 3.49Å; P417-P419 VanDerWaalsContact O-O 3.14Å; P417-P420 WeakPolarHBondContact O-CA 3.46Å; P417-N421 HydrophobicContact CG-CB 4.24Å; P417-A424 HydrophobicContact CG-CB 4.38Å; P417-I459 HydrophobicContact CB-CD1 4.04Å; P417-I459 HydrophobicContact CG-CD1 4.4Å |
| 418 | R | 49.3 | Very low | 66.5 | Low | 176 Ų | 176 | 54 Ų | 54 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.7 | 172.6 | -168.3 | -179.2 | -162.8 | -161.2 | 5.4 | 109.2 | S395 V397 | S395-R418 PolarHBondContact N-O 2.63Å; S395-R418 PolarHBondContact O-N 3.34Å; S395-R418 PolarHBondContact OG-O 2.87Å; S395-R418 VanDerWaalsContact OG-O 3.04Å; V397-R418 HydrophobicContact CG2-CB 3.77Å |
| 419 | P | 40.7 | Very low | 68 | Low | 48 Ų | 48 | 51.6 Ų | 51.6 | 31% | 0.312 | 27% | 0.271 | S | S | . | . | S | Bend | cis | -67.7 | 162.5 | 2.4 | 27.5 | -30.5 | 0 | 0 | 0 | 113.4 | P392 T393 Y394 P417 N421 | P392-P419 HydrophobicContact CB-CG 4.48Å; P392-P419 HydrophobicContact CG-CG 4.24Å; P392-P419 WeakPolarHBondContact O-CG 3.2Å; T393-P419 WeakPolarHBondContact O-CD 3.26Å; Y394-P419 HydrophobicContact CD1-CG 4.06Å; Y394-P419 WeakPolarHBondContact CD1-O 3.18Å; Y394-P419 HydrophobicContact CE1-CG 3.82Å; Y394-P419 WeakPolarHBondContact CE1-O 3.36Å; P417-P419 CarbonylContact C-O 3.58Å; P417-P419 VanDerWaalsContact C-O 3.24Å; P417-P419 CarbonylContact O-C 3.49Å; P417-P419 VanDerWaalsContact O-O 3.14Å; P419-N421 PolarHBondContact O-N 3.19Å |
| 420 | P | 52.6 | Low | 69.1 | Low | 121 Ų | 121 | 50.5 Ų | 50.5 | 79% | 0.786 | 26% | 0.263 | S | S | * | . | trans | -67 | 125.3 | -176.2 | -21.5 | 34.4 | 0 | 0 | 0 | 112.9 | P417 | P417-P420 WeakPolarHBondContact O-CA 3.46Š| ||
| 421 | N | 55 | Low | 69.6 | Low | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | trans | -118.5 | 120 | 172.6 | -176.1 | -38.5 | 0 | 0 | 0 | 109.3 | Y394 P417 P419 A423 A424 L461 | Y394-N421 HydrophobicContact CD1-CB 4.12Å; Y394-N421 HydrophobicContact CE1-CB 3.62Å; Y394-N421 HydrophobicContact CE2-CB 4.41Å; Y394-N421 WeakPolarHBondContact CE2-ND2 3.24Å; Y394-N421 VanDerWaalsContact CZ-ND2 3.3Å; Y394-N421 PolarHBondContact OH-ND2 2.93Å; Y394-N421 VanDerWaalsContact OH-ND2 3.09Å; P417-N421 HydrophobicContact CG-CB 4.24Å; P419-N421 PolarHBondContact O-N 3.19Å; N421-A423 PolarHBondContact OD1-N 3.01Å; N421-A424 HydrophobicContact CB-CB 4.22Å; N421-A424 PolarHBondContact OD1-N 2.91Å; N421-L461 HydrophobicContact CB-CD2 4.42Å | ||
| 422 | S | 57.2 | Low | 69.9 | Low | 109 Ų | 109 | 51.1 Ų | 51.1 | 76% | 0.762 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.6 | -175.2 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 423 | A | 57.6 | Low | 69.8 | Low | 61 Ų | 61 | 52 Ų | 52 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N421 P462 | N421-A423 PolarHBondContact OD1-N 3.01Å; A423-P462 HydrophobicContact CB-CG 3.51Å |
| 424 | A | 66.8 | Low | 69.8 | Low | 16 Ų | 16 | 58 Ų | 58 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | trans | -73.8 | 125.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P417 N421 I459 L461 | P417-A424 HydrophobicContact CG-CB 4.38Å; N421-A424 HydrophobicContact CB-CB 4.22Å; N421-A424 PolarHBondContact OD1-N 2.91Å; A424-I459 HydrophobicContact CB-CG2 3.61Å; A424-L461 HydrophobicContact CB-CD2 3.93Å | ||
| 425 | R | 75.5 | Confident | 69.7 | Low | 155 Ų | 155 | 59.5 Ų | 59.5 | 59% | 0.585 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 140.4 | 175.6 | -63.2 | -177.1 | 62.4 | -158.8 | -2.8 | 109.9 | I459 L460 | R425-I459 CarbonylContact O-C 3.59Å; R425-I459 WeakPolarHBondContact O-CA 3.14Å; R425-L460 HydrophobicContact CB-CB 4.36Å; R425-L460 PolarHBondContact N-O 2.71Å; R425-L460 PolarHBondContact O-N 3.1Å |
| 426 | I | 78.9 | Confident | 69.8 | Low | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.7 | -172.9 | -55 | -178.7 | 0 | 0 | 0 | 109.7 | C415 D438 S439 C457 I459 | C415-I426 HydrophobicContact CB-CG2 4.26Å; C415-I426 WeakPolarHBondContact O-CD1 3.46Å; I426-D438 CarbonylContact O-C 3.59Å; I426-D438 VanDerWaalsContact O-CA 3.24Å; I426-D438 WeakPolarHBondContact O-CA 3.42Å; I426-D438 VanDerWaalsContact O-O 3.1Å; I426-S439 PolarHBondContact O-N 2.82Å; I426-C457 VanDerWaalsContact CG2-SG 3.52Å; I426-I459 HydrophobicContact CD1-CD1 4.28Å; I426-I459 HydrophobicContact CD1-CG1 4.5Å; I426-I459 HydrophobicContact CG1-CD1 4.37Å; I426-I459 HydrophobicContact CG1-CG1 4.08Å; I426-I459 HydrophobicContact CG1-CG2 4.31Å; I426-I459 HydrophobicContact CG2-CG1 4.36Å |
| 427 | N | 80.6 | Confident | 70.1 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.8 | 174.3 | -58.1 | -34.4 | 0 | 0 | 0 | 109.2 | V435 S437 Q458 | N427-V435 HydrophobicContact CB-CG1 4.23Å; N427-S437 CarbonylContact C-O 3.51Å; N427-S437 VanDerWaalsContact CA-O 3.31Å; N427-S437 WeakPolarHBondContact CA-O 3.41Å; N427-Q458 HydrophobicContact CB-CB 4.31Å; N427-Q458 PolarHBondContact N-O 3.04Å; N427-Q458 PolarHBondContact ND2-NE2 3.15Å; N427-Q458 WeakPolarHBondContact O-CA 3.42Å; N427-Q458 VanDerWaalsContact O-CB 3.3Å; N427-Q458 WeakPolarHBondContact O-CB 3.35Å; N427-Q458 PolarHBondContact O-N 3.48Å |
| 428 | W | 85.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.4 | 164.3 | -71.7 | 86.7 | 0 | 0 | 0 | 110 | I398 L413 C415 V435 V436 S437 S440 I442 C457 V471 | I398-W428 HydrophobicContact CB-CH2 4.48Å; I398-W428 HydrophobicContact CD1-CH2 3.81Å; I398-W428 HydrophobicContact CD1-CZ3 3.91Å; I398-W428 HydrophobicContact CG1-CH2 3.81Å; I398-W428 HydrophobicContact CG1-CZ3 4.41Å; I398-W428 HydrophobicContact CG2-CH2 3.9Å; L413-W428 HydrophobicContact CB-CH2 3.6Å; L413-W428 HydrophobicContact CB-CZ2 3.72Å; L413-W428 HydrophobicContact CD1-CH2 3.76Å; L413-W428 HydrophobicContact CD1-CZ3 3.94Å; L413-W428 HydrophobicContact CG-CH2 4.31Å; C415-W428 HydrophobicContact CB-CH2 4.28Å; C415-W428 HydrophobicContact CB-CZ2 3.46Å; C415-W428 VanDerWaalsContact CB-CZ2 3.46Å; W428-V435 CarbonylContact O-C 3.58Å; W428-V435 WeakPolarHBondContact O-CA 3.17Å; W428-V436 HydrophobicContact CB-CG2 3.86Å; W428-V436 VanDerWaalsContact O-CG2 3.29Å; W428-V436 WeakPolarHBondContact O-CG2 3.11Å; W428-V436 PolarHBondContact O-N 2.85Å; W428-S437 PolarHBondContact N-O 2.77Å; W428-S437 PolarHBondContact O-N 3.13Å; W428-S440 PolarHBondContact NE1-O 3.01Å; W428-S440 VanDerWaalsContact NE1-O 3.08Å; W428-I442 HydrophobicContact CB-CB 4.38Å; W428-I442 HydrophobicContact CB-CD1 4.14Å; W428-I442 HydrophobicContact CD2-CB 3.91Å; W428-I442 HydrophobicContact CD2-CG2 3.49Å; W428-I442 VanDerWaalsContact CD2-CG2 3.49Å; W428-I442 VanDerWaalsContact CE2-CG2 3.49Å; W428-I442 HydrophobicContact CE3-CG2 3.77Å; W428-I442 HydrophobicContact CG-CB 3.82Å; W428-I442 HydrophobicContact CG-CD1 4.42Å; W428-I442 HydrophobicContact CG-CG2 3.97Å; W428-I442 HydrophobicContact CH2-CG2 3.97Å; W428-I442 HydrophobicContact CZ2-CG2 3.72Å; W428-I442 HydrophobicContact CZ3-CG2 4.01Å; W428-C457 HydrophobicContact CD2-CB 4Å; W428-C457 HydrophobicContact CE3-CB 3.91Å; W428-C457 HydrophobicContact CH2-CB 4.09Å; W428-C457 HydrophobicContact CZ2-CB 4.17Å; W428-C457 HydrophobicContact CZ3-CB 3.95Å; W428-V471 HydrophobicContact CZ3-CG1 4.11Å |
| 429 | L | 84.4 | Confident | 71.7 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.8 | 170.6 | -49.4 | 177.5 | 0 | 0 | 0 | 110 | M434 V435 Y455 T456 | L429-M434 CarbonylContact C-O 3.57Å; L429-M434 VanDerWaalsContact CA-O 3.26Å; L429-M434 WeakPolarHBondContact CA-O 3.36Å; L429-V435 HydrophobicContact CD2-CB 4.44Å; L429-V435 HydrophobicContact CD2-CG2 3.68Å; L429-Y455 CarbonylContact O-C 3.6Å; L429-Y455 VanDerWaalsContact O-CA 3.23Å; L429-Y455 WeakPolarHBondContact O-CA 2.99Å; L429-T456 PolarHBondContact N-O 2.77Å; L429-T456 PolarHBondContact O-N 2.92Å |
| 430 | G | 80.7 | Confident | 73.1 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | trans | -81 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D432 G433 M434 | G430-D432 PolarHBondContact O-N 3.34Å; G430-G433 PolarHBondContact O-N 2.59Å; G430-M434 PolarHBondContact N-O 3.03Å | ||
| 431 | P | 79.6 | Confident | 73.8 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18 | 179.9 | -21.2 | 33.9 | 0 | 0 | 0 | 114.2 | Q452 Y455 | P431-Q452 WeakPolarHBondContact CG-O 3.42Å; P431-Y455 HydrophobicContact CG-CD2 4.3Å; P431-Y455 HydrophobicContact CG-CE2 3.69Å |
| 432 | D | 80 | Confident | 75.1 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -4.8 | 173.8 | 64.3 | -9.4 | 0 | 0 | 0 | 113.5 | G430 M434 | G430-D432 PolarHBondContact O-N 3.34Å; D432-M434 PolarHBondContact OD1-N 3.42Å; D432-M434 WeakPolarHBondContact OD2-CE 2.82Å |
| 433 | G | 73.9 | Confident | 76 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 82.6 | 1.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | G430 | G430-G433 PolarHBondContact O-N 2.59Š|
| 434 | M | 74.3 | Confident | 76.9 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | trans | -82.8 | 152.3 | 176.2 | -65.6 | -153.3 | -70 | 0 | 0 | 112 | L429 G430 D432 V436 | L429-M434 CarbonylContact C-O 3.57Å; L429-M434 VanDerWaalsContact CA-O 3.26Å; L429-M434 WeakPolarHBondContact CA-O 3.36Å; G430-M434 PolarHBondContact N-O 3.03Å; D432-M434 PolarHBondContact OD1-N 3.42Å; D432-M434 WeakPolarHBondContact OD2-CE 2.82Å; M434-V436 PolarHBondContact O-N 2.03Å | ||
| 435 | V | 74.7 | Confident | 76.8 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.6 | 177.4 | -178 | 0 | 0 | 0 | 0 | 110.2 | N427 W428 L429 S437 | N427-V435 HydrophobicContact CB-CG1 4.23Å; W428-V435 CarbonylContact O-C 3.58Å; W428-V435 WeakPolarHBondContact O-CA 3.17Å; L429-V435 HydrophobicContact CD2-CB 4.44Å; L429-V435 HydrophobicContact CD2-CG2 3.68Å; V435-S437 WeakPolarHBondContact CG1-O 3.38Å |
| 436 | V | 81.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -18 | -177.7 | -67.3 | 0 | 0 | 0 | 0 | 114.1 | W428 M434 I442 Y455 | W428-V436 HydrophobicContact CB-CG2 3.86Å; W428-V436 VanDerWaalsContact O-CG2 3.29Å; W428-V436 WeakPolarHBondContact O-CG2 3.11Å; W428-V436 PolarHBondContact O-N 2.85Å; M434-V436 PolarHBondContact O-N 2.03Å; V436-I442 HydrophobicContact CB-CD1 4.38Å; V436-I442 HydrophobicContact CG2-CD1 3.55Å; V436-Y455 HydrophobicContact CG2-CD1 3.98Å; V436-Y455 HydrophobicContact CG2-CE1 4.06Å |
| 437 | S | 78.2 | Confident | 75.9 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 148 | 168.7 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | N427 W428 V435 S439 N441 | N427-S437 CarbonylContact C-O 3.51Å; N427-S437 VanDerWaalsContact CA-O 3.31Å; N427-S437 WeakPolarHBondContact CA-O 3.41Å; W428-S437 PolarHBondContact N-O 2.77Å; W428-S437 PolarHBondContact O-N 3.13Å; V435-S437 WeakPolarHBondContact CG1-O 3.38Å; S437-S439 PolarHBondContact OG-N 3.28Å; S437-S439 PolarHBondContact OG-OG 2.92Å; S437-S439 VanDerWaalsContact OG-OG 3.08Å; S437-N441 PolarHBondContact OG-O 2.82Å |
| 438 | D | 70.3 | Confident | 75.8 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -117.6 | 25.4 | 173.9 | 67.8 | -29.1 | 0 | 0 | 0 | 112.4 | I426 | I426-D438 CarbonylContact O-C 3.59Å; I426-D438 VanDerWaalsContact O-CA 3.24Å; I426-D438 WeakPolarHBondContact O-CA 3.42Å; I426-D438 VanDerWaalsContact O-O 3.1Å |
| 439 | S | 77.4 | Confident | 75 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -121.6 | 169.1 | 175.5 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | I426 S437 N441 | I426-S439 PolarHBondContact O-N 2.82Å; S437-S439 PolarHBondContact OG-N 3.28Å; S437-S439 PolarHBondContact OG-OG 2.92Å; S437-S439 VanDerWaalsContact OG-OG 3.08Å; S439-N441 PolarHBondContact O-N 2.73Å; S439-N441 PolarHBondContact OG-O 2.77Å; S439-N441 VanDerWaalsContact OG-O 3.05Å |
| 440 | S | 71 | Confident | 74.5 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -55 | -35.3 | 178 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | C415 W428 | C415-S440 WeakPolarHBondContact CB-O 3.4Å; C415-S440 PolarHBondContact N-O 3.1Å; W428-S440 PolarHBondContact NE1-O 3.01Å; W428-S440 VanDerWaalsContact NE1-O 3.08Å |
| 441 | N | 67.4 | Low | 74.4 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 147.6 | -174.1 | -60.6 | 23.1 | 0 | 0 | 0 | 110.8 | E412 L413 S437 S439 V443 | E412-N441 PolarHBondContact OE1-ND2 2.88Å; L413-N441 WeakPolarHBondContact O-CA 3.11Å; S437-N441 PolarHBondContact OG-O 2.82Å; S439-N441 PolarHBondContact O-N 2.73Å; S439-N441 PolarHBondContact OG-O 2.77Å; S439-N441 VanDerWaalsContact OG-O 3.05Å; N441-V443 HydrophobicContact CB-CG2 4.44Å |
| 442 | I | 81.4 | Confident | 74.4 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.4 | 159.4 | -173.6 | 172.8 | 0 | 0 | 0 | 108.3 | E412 L413 W428 V436 F444 Y455 | E412-I442 WeakPolarHBondContact CA-O 3.44Å; L413-I442 HydrophobicContact CB-CG2 3.83Å; L413-I442 HydrophobicContact CD1-CG2 3.75Å; L413-I442 HydrophobicContact CG-CG2 4.2Å; L413-I442 PolarHBondContact N-O 3.44Å; L413-I442 VanDerWaalsContact N-O 3.08Å; L413-I442 PolarHBondContact O-N 2.82Å; W428-I442 HydrophobicContact CB-CB 4.38Å; W428-I442 HydrophobicContact CB-CD1 4.14Å; W428-I442 HydrophobicContact CD2-CB 3.91Å; W428-I442 HydrophobicContact CD2-CG2 3.49Å; W428-I442 VanDerWaalsContact CD2-CG2 3.49Å; W428-I442 VanDerWaalsContact CE2-CG2 3.49Å; W428-I442 HydrophobicContact CE3-CG2 3.77Å; W428-I442 HydrophobicContact CG-CB 3.82Å; W428-I442 HydrophobicContact CG-CD1 4.42Å; W428-I442 HydrophobicContact CG-CG2 3.97Å; W428-I442 HydrophobicContact CH2-CG2 3.97Å; W428-I442 HydrophobicContact CZ2-CG2 3.72Å; W428-I442 HydrophobicContact CZ3-CG2 4.01Å; V436-I442 HydrophobicContact CB-CD1 4.38Å; V436-I442 HydrophobicContact CG2-CD1 3.55Å; I442-F444 HydrophobicContact CD1-CE1 4.22Å; I442-F444 HydrophobicContact CD1-CE2 3.83Å; I442-F444 HydrophobicContact CD1-CZ 3.54Å; I442-F444 HydrophobicContact CG1-CD2 4.38Å; I442-F444 HydrophobicContact CG1-CE2 3.87Å; I442-F444 HydrophobicContact CG1-CZ 4.06Å; I442-F444 HydrophobicContact CG2-CE2 4.12Å; I442-Y455 HydrophobicContact CD1-CD1 3.83Å; I442-Y455 HydrophobicContact CD1-CE1 4.06Å |
| 443 | V | 76.5 | Confident | 74.4 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.5 | -177.4 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | R410 L411 E412 N441 E445 | R410-V443 HydrophobicContact CG-CG1 4.28Å; L411-V443 CarbonylContact O-C 3.53Å; L411-V443 WeakPolarHBondContact O-CA 3.28Å; E412-V443 HydrophobicContact CB-CG2 4.29Å; E412-V443 HydrophobicContact CG-CG2 3.87Å; N441-V443 HydrophobicContact CB-CG2 4.44Å; V443-E445 PolarHBondContact O-N 2.92Å |
| 444 | F | 76.7 | Confident | 75.1 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.9 | 168 | -54.4 | -97.5 | 0 | 0 | 0 | 106.7 | R410 L411 I442 R446 F447 H451 Y455 L473 | R410-F444 VanDerWaalsContact CA-O 3.22Å; R410-F444 WeakPolarHBondContact CA-O 3.5Å; L411-F444 HydrophobicContact CB-CB 4.39Å; L411-F444 HydrophobicContact CB-CD2 4.01Å; L411-F444 HydrophobicContact CD2-CD2 3.82Å; L411-F444 HydrophobicContact CD2-CE2 3.91Å; L411-F444 HydrophobicContact CG-CD2 4.3Å; L411-F444 PolarHBondContact N-O 2.9Å; L411-F444 PolarHBondContact O-N 3.39Å; I442-F444 HydrophobicContact CD1-CE1 4.22Å; I442-F444 HydrophobicContact CD1-CE2 3.83Å; I442-F444 HydrophobicContact CD1-CZ 3.54Å; I442-F444 HydrophobicContact CG1-CD2 4.38Å; I442-F444 HydrophobicContact CG1-CE2 3.87Å; I442-F444 HydrophobicContact CG1-CZ 4.06Å; I442-F444 HydrophobicContact CG2-CE2 4.12Å; F444-R446 PolarHBondContact O-N 3.21Å; F444-F447 HydrophobicContact CB-CD2 4Å; F444-F447 AromaticContact CD1-CD2 3.88Å; F444-F447 HydrophobicContact CD1-CD2 3.88Å; F444-F447 HydrophobicContact CD1-CE2 4.04Å; F444-F447 HydrophobicContact CD2-CD2 4.08Å; F444-F447 HydrophobicContact CD2-CE2 4.27Å; F444-F447 HydrophobicContact CE1-CD2 4.32Å; F444-F447 AromaticContact CE1-CE2 4Å; F444-F447 HydrophobicContact CE1-CE2 4Å; F444-F447 HydrophobicContact CE2-CE2 4.24Å; F444-F447 AromaticContact CG-CD2 3.73Å; F444-F447 HydrophobicContact CG-CD2 3.73Å; F444-F447 HydrophobicContact CG-CE2 4.16Å; F444-F447 HydrophobicContact CZ-CE2 4.09Å; F444-H451 HydrophobicContact CD1-CB 4.14Å; F444-H451 AromaticContact CD1-CG 3.91Å; F444-H451 AromaticContact CD1-ND1 3.72Å; F444-H451 HydrophobicContact CE1-CB 4.11Å; F444-Y455 AromaticContact CE1-CE1 3.78Å; F444-Y455 HydrophobicContact CE1-CE1 3.78Å; F444-Y455 HydrophobicContact CE1-CE2 4.43Å; F444-Y455 AromaticContact CE1-CZ 3.67Å; F444-Y455 AromaticContact CZ-CD1 3.87Å; F444-Y455 HydrophobicContact CZ-CD1 3.87Å; F444-Y455 HydrophobicContact CZ-CD2 4.35Å; F444-Y455 AromaticContact CZ-CE1 3.48Å; F444-Y455 HydrophobicContact CZ-CE1 3.48Å; F444-Y455 VanDerWaalsContact CZ-CE1 3.48Å; F444-Y455 HydrophobicContact CZ-CE2 4.04Å; F444-Y455 HydrophobicContact CZ-CG 4.28Å; F444-Y455 AromaticContact CZ-CZ 3.56Å; F444-L473 HydrophobicContact CE2-CD1 3.63Å; F444-L473 HydrophobicContact CZ-CD1 3.74Å |
| 445 | E | 63.8 | Low | 75.6 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -61.8 | -27.2 | 176.5 | -74.2 | -155.7 | 164.5 | 0 | 0 | 112.4 | V443 | V443-E445 PolarHBondContact O-N 2.92Š|
| 446 | R | 64.6 | Low | 76.1 | Confident | 121 Ų | 121 | 59.3 Ų | 59.3 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -142.7 | 114.6 | 168.7 | -63.8 | -175.1 | -168.8 | -179.9 | 2.6 | 109.6 | A409 F444 H451 | A409-R446 CarbonylContact O-C 3.33Å; A409-R446 WeakPolarHBondContact O-CA 3.47Å; F444-R446 PolarHBondContact O-N 3.21Å; R446-H451 PolarHBondContact O-CE1 3.12Å; R446-H451 VanDerWaalsContact O-CE1 3.31Å; R446-H451 PolarHBondContact O-ND1 3.1Å |
| 447 | F | 71.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -72.7 | 136.7 | 174.4 | -155.6 | -96.5 | 0 | 0 | 0 | 111 | L405 N408 A409 L411 F444 H451 Q452 L473 V475 | L405-F447 HydrophobicContact CD1-CB 3.79Å; L405-F447 HydrophobicContact CD1-CD1 3.86Å; L405-F447 HydrophobicContact CD1-CD2 3.79Å; L405-F447 HydrophobicContact CD1-CE1 4.4Å; L405-F447 HydrophobicContact CD1-CE2 4.35Å; L405-F447 HydrophobicContact CD1-CG 3.51Å; L405-F447 HydrophobicContact CD2-CD1 3.94Å; L405-F447 HydrophobicContact CD2-CD2 4.22Å; L405-F447 HydrophobicContact CD2-CE1 3.63Å; L405-F447 HydrophobicContact CD2-CE2 3.96Å; L405-F447 HydrophobicContact CD2-CG 4.21Å; L405-F447 HydrophobicContact CD2-CZ 3.65Å; L405-F447 HydrophobicContact CG-CD1 3.78Å; L405-F447 HydrophobicContact CG-CD2 4.38Å; L405-F447 HydrophobicContact CG-CE1 4Å; L405-F447 HydrophobicContact CG-CG 3.98Å; L405-F447 HydrophobicContact CG-CZ 4.4Å; N408-F447 PolarHBondContact N-O 3.37Å; A409-F447 PolarHBondContact O-N 3.03Å; L411-F447 HydrophobicContact CD2-CD2 4.45Å; L411-F447 HydrophobicContact CD2-CE2 4.44Å; F444-F447 HydrophobicContact CB-CD2 4Å; F444-F447 AromaticContact CD1-CD2 3.88Å; F444-F447 HydrophobicContact CD1-CD2 3.88Å; F444-F447 HydrophobicContact CD1-CE2 4.04Å; F444-F447 HydrophobicContact CD2-CD2 4.08Å; F444-F447 HydrophobicContact CD2-CE2 4.27Å; F444-F447 HydrophobicContact CE1-CD2 4.32Å; F444-F447 AromaticContact CE1-CE2 4Å; F444-F447 HydrophobicContact CE1-CE2 4Å; F444-F447 HydrophobicContact CE2-CE2 4.24Å; F444-F447 AromaticContact CG-CD2 3.73Å; F444-F447 HydrophobicContact CG-CD2 3.73Å; F444-F447 HydrophobicContact CG-CE2 4.16Å; F444-F447 HydrophobicContact CZ-CE2 4.09Å; F447-H451 HydrophobicContact CD1-CB 4.31Å; F447-H451 HydrophobicContact CD2-CB 3.84Å; F447-H451 HydrophobicContact CE1-CB 4.04Å; F447-H451 HydrophobicContact CE2-CB 3.54Å; F447-H451 HydrophobicContact CG-CB 4.21Å; F447-H451 HydrophobicContact CZ-CB 3.65Å; F447-H451 WeakPolarHBondContact CZ-O 3.09Å; F447-Q452 HydrophobicContact CE1-CG 3.81Å; F447-Q452 HydrophobicContact CZ-CG 4.44Å; F447-L473 HydrophobicContact CE2-CB 4.02Å; F447-L473 HydrophobicContact CE2-CD1 3.76Å; F447-L473 HydrophobicContact CZ-CB 3.58Å; F447-L473 HydrophobicContact CZ-CD1 4.2Å; F447-V475 HydrophobicContact CD1-CG2 3.67Å; F447-V475 HydrophobicContact CE1-CG2 3.76Å | ||
| 448 | Q | 77.7 | Confident | 76.8 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | trans | -126.9 | 164.1 | -170.6 | -68.3 | -59.1 | -33.6 | 0 | 0 | 110.7 | N408 H450 H451 | N408-Q448 PolarHBondContact OD1-NE2 3.38Å; Q448-H450 VanDerWaalsContact CB-CE1 3.44Å; Q448-H450 WeakPolarHBondContact CB-CE1 3.38Å; Q448-H450 PolarHBondContact O-N 2.83Å; Q448-H451 HydrophobicContact CB-CB 4.43Å; Q448-H451 PolarHBondContact N-ND1 2.73Å; Q448-H451 WeakPolarHBondContact O-CB 3.42Å; Q448-H451 PolarHBondContact O-N 3.42Å | ||
| 449 | P | 69.4 | Low | 77.1 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.3 | -178.4 | -17 | 29 | 0 | 0 | 0 | 112.1 | L407 Q452 | L407-P449 HydrophobicContact CD2-CB 4.39Å; L407-P449 HydrophobicContact CD2-CG 3.59Å; P449-Q452 WeakPolarHBondContact O-CB 3.26Å; P449-Q452 WeakPolarHBondContact O-CG 3.33Å; P449-Q452 PolarHBondContact O-N 3.11Å; P449-Q452 PolarHBondContact O-NE2 2.86Å |
| 450 | H | 74.5 | Confident | 77.1 | Confident | 143 Ų | 143 | 49.8 Ų | 49.8 | 66% | 0.662 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -85.2 | -6.4 | 176 | 65.7 | -98.2 | 0 | 0 | 0 | 113.7 | Q448 | Q448-H450 VanDerWaalsContact CB-CE1 3.44Å; Q448-H450 WeakPolarHBondContact CB-CE1 3.38Å; Q448-H450 PolarHBondContact O-N 2.83Å |
| 451 | H | 77.8 | Confident | 76.8 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -81 | -5.6 | 165 | -63.9 | 162.1 | 0 | 0 | 0 | 111.2 | F444 R446 F447 Q448 Y455 | F444-H451 HydrophobicContact CD1-CB 4.14Å; F444-H451 AromaticContact CD1-CG 3.91Å; F444-H451 AromaticContact CD1-ND1 3.72Å; F444-H451 HydrophobicContact CE1-CB 4.11Å; R446-H451 PolarHBondContact O-CE1 3.12Å; R446-H451 VanDerWaalsContact O-CE1 3.31Å; R446-H451 PolarHBondContact O-ND1 3.1Å; F447-H451 HydrophobicContact CD1-CB 4.31Å; F447-H451 HydrophobicContact CD2-CB 3.84Å; F447-H451 HydrophobicContact CE1-CB 4.04Å; F447-H451 HydrophobicContact CE2-CB 3.54Å; F447-H451 HydrophobicContact CG-CB 4.21Å; F447-H451 HydrophobicContact CZ-CB 3.65Å; F447-H451 WeakPolarHBondContact CZ-O 3.09Å; Q448-H451 HydrophobicContact CB-CB 4.43Å; Q448-H451 PolarHBondContact N-ND1 2.73Å; Q448-H451 WeakPolarHBondContact O-CB 3.42Å; Q448-H451 PolarHBondContact O-N 3.42Å; H451-Y455 WeakPolarHBondContact CA-OH 3.35Å; H451-Y455 WeakPolarHBondContact O-CE2 3.38Å; H451-Y455 PolarHBondContact O-OH 2.83Å |
| 452 | Q | 79.2 | Confident | 76.1 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | trans | -70.2 | 148.9 | 177.5 | -70.2 | 179.4 | 97.7 | 0 | 0 | 113.1 | P431 F447 P449 L473 V475 | P431-Q452 WeakPolarHBondContact CG-O 3.42Å; F447-Q452 HydrophobicContact CE1-CG 3.81Å; F447-Q452 HydrophobicContact CZ-CG 4.44Å; P449-Q452 WeakPolarHBondContact O-CB 3.26Å; P449-Q452 WeakPolarHBondContact O-CG 3.33Å; P449-Q452 PolarHBondContact O-N 3.11Å; P449-Q452 PolarHBondContact O-NE2 2.86Å; Q452-L473 CarbonylContact C-O 3.51Å; Q452-L473 WeakPolarHBondContact CA-O 3.37Å; Q452-L473 WeakPolarHBondContact CB-O 3.41Å; Q452-V475 HydrophobicContact CG-CB 4.26Å; Q452-V475 HydrophobicContact CG-CG2 3.74Å | ||
| 453 | G | 81.4 | Confident | 74.9 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.1 | -168.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y455 L473 | G453-Y455 WeakPolarHBondContact O-CD2 3.21Å; G453-Y455 PolarHBondContact O-N 2.88Å; G453-L473 PolarHBondContact N-O 2.83Å; G453-L473 PolarHBondContact O-N 3.28Å |
| 454 | R | 87 | Confident | 73.9 | Confident | 149 Ų | 149 | 54.9 Ų | 54.9 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 104.1 | -169.5 | -172.7 | 177.4 | -179.2 | -174.6 | 1 | 112.8 | S470 | R454-S470 PolarHBondContact NE-OG 3.39Å; R454-S470 PolarHBondContact NH2-OG 3.46Å |
| 455 | Y | 85.9 | Confident | 73.1 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.8 | 172.2 | -72 | -99.6 | 0 | 0 | 0 | 110.1 | L429 P431 V436 I442 F444 H451 G453 S470 V471 L473 | L429-Y455 CarbonylContact O-C 3.6Å; L429-Y455 VanDerWaalsContact O-CA 3.23Å; L429-Y455 WeakPolarHBondContact O-CA 2.99Å; P431-Y455 HydrophobicContact CG-CD2 4.3Å; P431-Y455 HydrophobicContact CG-CE2 3.69Å; V436-Y455 HydrophobicContact CG2-CD1 3.98Å; V436-Y455 HydrophobicContact CG2-CE1 4.06Å; I442-Y455 HydrophobicContact CD1-CD1 3.83Å; I442-Y455 HydrophobicContact CD1-CE1 4.06Å; F444-Y455 AromaticContact CE1-CE1 3.78Å; F444-Y455 HydrophobicContact CE1-CE1 3.78Å; F444-Y455 HydrophobicContact CE1-CE2 4.43Å; F444-Y455 AromaticContact CE1-CZ 3.67Å; F444-Y455 AromaticContact CZ-CD1 3.87Å; F444-Y455 HydrophobicContact CZ-CD1 3.87Å; F444-Y455 HydrophobicContact CZ-CD2 4.35Å; F444-Y455 AromaticContact CZ-CE1 3.48Å; F444-Y455 HydrophobicContact CZ-CE1 3.48Å; F444-Y455 VanDerWaalsContact CZ-CE1 3.48Å; F444-Y455 HydrophobicContact CZ-CE2 4.04Å; F444-Y455 HydrophobicContact CZ-CG 4.28Å; F444-Y455 AromaticContact CZ-CZ 3.56Å; H451-Y455 WeakPolarHBondContact CA-OH 3.35Å; H451-Y455 WeakPolarHBondContact O-CE2 3.38Å; H451-Y455 PolarHBondContact O-OH 2.83Å; G453-Y455 WeakPolarHBondContact O-CD2 3.21Å; G453-Y455 PolarHBondContact O-N 2.88Å; Y455-S470 CarbonylContact O-C 3.55Å; Y455-S470 WeakPolarHBondContact O-CA 3.36Å; Y455-V471 PolarHBondContact N-O 3.2Å; Y455-V471 PolarHBondContact O-N 3.32Å; Y455-L473 HydrophobicContact CD2-CB 4.22Å; Y455-L473 HydrophobicContact CD2-CD1 3.45Å; Y455-L473 VanDerWaalsContact CD2-CD1 3.45Å; Y455-L473 HydrophobicContact CD2-CG 3.82Å; Y455-L473 HydrophobicContact CE2-CB 4.4Å; Y455-L473 HydrophobicContact CE2-CD1 3.85Å; Y455-L473 HydrophobicContact CE2-CG 4.39Å; Y455-L473 HydrophobicContact CG-CD1 4.01Å |
| 456 | T | 85.8 | Confident | 73.4 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 106.9 | -177.7 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | L429 Q458 R468 Q469 S470 | L429-T456 PolarHBondContact N-O 2.77Å; L429-T456 PolarHBondContact O-N 2.92Å; T456-Q458 PolarHBondContact O-N 3.26Å; T456-R468 HydrophobicContact CG2-CB 3.75Å; T456-R468 HydrophobicContact CG2-CG 3.88Å; T456-Q469 CarbonylContact C-O 3.42Å; T456-Q469 WeakPolarHBondContact CA-O 3.42Å; T456-S470 WeakPolarHBondContact OG1-CB 3.01Å |
| 457 | C | 86.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.9 | 163.6 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | V396 I398 C415 I426 W428 R468 Q469 | V396-C457 HydrophobicContact CG1-CB 4.44Å; I398-C457 HydrophobicContact CD1-CB 4.01Å; I398-C457 HydrophobicContact CG1-CB 4.13Å; C415-C457 HydrophobicContact CB-CB 3.76Å; C415-C457 WeakPolarHBondContact CB-SG 3.07Å; C415-C457 WeakPolarHBondContact SG-CB 3.35Å; C415-C457 CovalentContact SG-SG 2.02Å; C415-C457 PolarHBondContact SG-SG 2.84Å; I426-C457 VanDerWaalsContact CG2-SG 3.52Å; W428-C457 HydrophobicContact CD2-CB 4Å; W428-C457 HydrophobicContact CE3-CB 3.91Å; W428-C457 HydrophobicContact CH2-CB 4.09Å; W428-C457 HydrophobicContact CZ2-CB 4.17Å; W428-C457 HydrophobicContact CZ3-CB 3.95Å; C457-R468 VanDerWaalsContact O-CA 3.29Å; C457-R468 WeakPolarHBondContact O-CA 3.49Å; C457-Q469 PolarHBondContact N-O 2.81Å; C457-Q469 PolarHBondContact O-N 3.37Å; C457-Q469 VanDerWaalsContact O-O 3.13Å |
| 458 | Q | 86.1 | Confident | 74.1 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 105.6 | -179.3 | 179.3 | -167 | -62.4 | 0 | 0 | 108.7 | N427 T456 I466 L467 R468 | N427-Q458 HydrophobicContact CB-CB 4.31Å; N427-Q458 PolarHBondContact N-O 3.04Å; N427-Q458 PolarHBondContact ND2-NE2 3.15Å; N427-Q458 WeakPolarHBondContact O-CA 3.42Å; N427-Q458 VanDerWaalsContact O-CB 3.3Å; N427-Q458 WeakPolarHBondContact O-CB 3.35Å; N427-Q458 PolarHBondContact O-N 3.48Å; T456-Q458 PolarHBondContact O-N 3.26Å; Q458-I466 HydrophobicContact CG-CG2 3.42Å; Q458-I466 VanDerWaalsContact CG-CG2 3.42Å; Q458-L467 CarbonylContact C-O 3.54Å; Q458-L467 VanDerWaalsContact CA-O 3.25Å; Q458-L467 WeakPolarHBondContact CA-O 3.12Å; Q458-R468 HydrophobicContact CB-CG 3.87Å; Q458-R468 HydrophobicContact CG-CG 3.82Å; Q458-R468 VanDerWaalsContact OE1-NE 3.09Å |
| 459 | I | 76.9 | Confident | 74 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.1 | 174.5 | -53.2 | -169.5 | 0 | 0 | 0 | 108.8 | V396 P417 A424 R425 I426 L467 | V396-I459 HydrophobicContact CB-CD1 4.44Å; V396-I459 HydrophobicContact CG1-CD1 3.99Å; V396-I459 HydrophobicContact CG1-CG1 4.33Å; V396-I459 HydrophobicContact CG2-CD1 4.08Å; V396-I459 HydrophobicContact CG2-CG1 4.13Å; P417-I459 HydrophobicContact CB-CD1 4.04Å; P417-I459 HydrophobicContact CG-CD1 4.4Å; A424-I459 HydrophobicContact CB-CG2 3.61Å; R425-I459 CarbonylContact O-C 3.59Å; R425-I459 WeakPolarHBondContact O-CA 3.14Å; I426-I459 HydrophobicContact CD1-CD1 4.28Å; I426-I459 HydrophobicContact CD1-CG1 4.5Å; I426-I459 HydrophobicContact CG1-CD1 4.37Å; I426-I459 HydrophobicContact CG1-CG1 4.08Å; I426-I459 HydrophobicContact CG1-CG2 4.31Å; I426-I459 HydrophobicContact CG2-CG1 4.36Å; I459-L467 HydrophobicContact CB-CB 4.28Å; I459-L467 HydrophobicContact CB-CD1 4.33Å; I459-L467 PolarHBondContact N-O 2.69Å; I459-L467 PolarHBondContact O-N 3.06Å |
| 460 | L | 77.1 | Confident | 74.5 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.199 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.7 | 171 | 177.8 | 77.6 | 0 | 0 | 0 | 108.8 | R425 Q464 I465 I466 | R425-L460 HydrophobicContact CB-CB 4.36Å; R425-L460 PolarHBondContact N-O 2.71Å; R425-L460 PolarHBondContact O-N 3.1Å; L460-Q464 HydrophobicContact CD1-CB 4.4Å; L460-I465 WeakPolarHBondContact CA-O 3.4Å; L460-I466 HydrophobicContact CD1-CD1 4.24Å; L460-I466 HydrophobicContact CD1-CG1 3.56Å |
| 461 | L | 64.9 | Low | 74.6 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -66.6 | 160.5 | 173.3 | -71.4 | 162.8 | 0 | 0 | 0 | 111.5 | Y394 N421 A424 N463 Q464 I465 L467 | Y394-L461 HydrophobicContact CD2-CD1 3.61Å; Y394-L461 HydrophobicContact CD2-CD2 3.36Å; Y394-L461 HydrophobicContact CD2-CG 4.14Å; Y394-L461 HydrophobicContact CE2-CD1 4.49Å; Y394-L461 HydrophobicContact CE2-CD2 3.8Å; Y394-L461 HydrophobicContact CG-CD1 4.28Å; Y394-L461 HydrophobicContact CG-CD2 3.84Å; N421-L461 HydrophobicContact CB-CD2 4.42Å; A424-L461 HydrophobicContact CB-CD2 3.93Å; L461-N463 PolarHBondContact O-N 2.96Å; L461-N463 VanDerWaalsContact O-N 3.08Å; L461-Q464 PolarHBondContact O-N 3.33Å; L461-I465 HydrophobicContact CB-CB 4.25Å; L461-I465 HydrophobicContact CD1-CB 3.96Å; L461-I465 HydrophobicContact CD1-CG2 3.97Å; L461-I465 PolarHBondContact N-O 2.81Å; L461-L467 HydrophobicContact CD1-CD1 3.94Å; L461-L467 HydrophobicContact CD1-CG 4.17Å; L461-L467 HydrophobicContact CG-CD1 4.32Å | ||
| 462 | P | 52.7 | Low | 74.7 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.5 | 179.9 | -27.8 | 36.4 | 0 | 0 | 0 | 113.6 | A423 Q464 | A423-P462 HydrophobicContact CB-CG 3.51Å; P462-Q464 PolarHBondContact O-N 2.84Å |
| 463 | N | 57.5 | Low | 74.6 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 23.4 | -178 | -56.7 | -47.8 | 0 | 0 | 0 | 113.1 | D384 G385 L461 I465 | D384-N463 WeakPolarHBondContact OD1-CB 3.37Å; D384-N463 PolarHBondContact OD1-ND2 3.4Å; D384-N463 PolarHBondContact OD2-ND2 3.48Å; G385-N463 VanDerWaalsContact N-CB 3.33Å; G385-N463 PolarHBondContact N-ND2 3.35Å; G385-N463 PolarHBondContact O-OD1 3.26Å; L461-N463 PolarHBondContact O-N 2.96Å; L461-N463 VanDerWaalsContact O-N 3.08Å; N463-I465 PolarHBondContact O-N 2.84Å |
| 464 | Q | 53.7 | Low | 74.1 | Confident | 159 Ų | 159 | 56.4 Ų | 56.4 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | trans | 60.8 | 12.7 | -179.5 | -57.7 | -163.6 | 5.7 | 0 | 0 | 116.6 | L460 L461 P462 I466 | L460-Q464 HydrophobicContact CD1-CB 4.4Å; L461-Q464 PolarHBondContact O-N 3.33Å; P462-Q464 PolarHBondContact O-N 2.84Å; Q464-I466 PolarHBondContact O-N 3.28Å | ||
| 465 | I | 61.2 | Low | 73.1 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -70.9 | 124.1 | 173.7 | -63.9 | 170.1 | 0 | 0 | 0 | 109 | L383 L460 L461 N463 L467 | L383-I465 HydrophobicContact CB-CD1 3.58Å; L383-I465 WeakPolarHBondContact O-CD1 3.23Å; L460-I465 WeakPolarHBondContact CA-O 3.4Å; L461-I465 HydrophobicContact CB-CB 4.25Å; L461-I465 HydrophobicContact CD1-CB 3.96Å; L461-I465 HydrophobicContact CD1-CG2 3.97Å; L461-I465 PolarHBondContact N-O 2.81Å; N463-I465 PolarHBondContact O-N 2.84Å; I465-L467 HydrophobicContact CG2-CD2 4.2Å | ||
| 466 | I | 69.9 | Low | 71.5 | Confident | 90 Ų | 90 | 54 Ų | 54 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 96.2 | -176.9 | -60.9 | 177.2 | 0 | 0 | 0 | 109 | Q458 L460 Q464 R468 | Q458-I466 HydrophobicContact CG-CG2 3.42Å; Q458-I466 VanDerWaalsContact CG-CG2 3.42Å; L460-I466 HydrophobicContact CD1-CD1 4.24Å; L460-I466 HydrophobicContact CD1-CG1 3.56Å; Q464-I466 PolarHBondContact O-N 3.28Å; I466-R468 HydrophobicContact CG2-CG 4.18Å |
| 467 | L | 71.6 | Confident | 69.5 | Low | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.5 | 169.1 | -51.3 | 168.8 | 0 | 0 | 0 | 109.1 | Y394 V396 Q458 I459 L461 I465 | Y394-L467 WeakPolarHBondContact O-CD1 3.46Å; Y394-L467 WeakPolarHBondContact O-CD2 3.2Å; V396-L467 HydrophobicContact CG2-CB 3.55Å; V396-L467 HydrophobicContact CG2-CD1 4.27Å; Q458-L467 CarbonylContact C-O 3.54Å; Q458-L467 VanDerWaalsContact CA-O 3.25Å; Q458-L467 WeakPolarHBondContact CA-O 3.12Å; I459-L467 HydrophobicContact CB-CB 4.28Å; I459-L467 HydrophobicContact CB-CD1 4.33Å; I459-L467 PolarHBondContact N-O 2.69Å; I459-L467 PolarHBondContact O-N 3.06Å; L461-L467 HydrophobicContact CD1-CD1 3.94Å; L461-L467 HydrophobicContact CD1-CG 4.17Å; L461-L467 HydrophobicContact CG-CD1 4.32Å; I465-L467 HydrophobicContact CG2-CD2 4.2Å |
| 468 | R | 79.2 | Confident | 67.2 | Low | 154 Ų | 154 | 60.9 Ų | 60.9 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.1 | 174.5 | -79.9 | 178 | 174.2 | 175.3 | -1 | 111.2 | T456 C457 Q458 I466 | T456-R468 HydrophobicContact CG2-CB 3.75Å; T456-R468 HydrophobicContact CG2-CG 3.88Å; C457-R468 VanDerWaalsContact O-CA 3.29Å; C457-R468 WeakPolarHBondContact O-CA 3.49Å; Q458-R468 HydrophobicContact CB-CG 3.87Å; Q458-R468 HydrophobicContact CG-CG 3.82Å; Q458-R468 VanDerWaalsContact OE1-NE 3.09Å; I466-R468 HydrophobicContact CG2-CG 4.18Å |
| 469 | Q | 75.3 | Confident | 64.6 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.3 | 166.6 | -176.5 | -175.3 | 30.5 | 0 | 0 | 108.4 | V396 I398 T456 C457 | V396-Q469 HydrophobicContact CB-CB 3.7Å; V396-Q469 HydrophobicContact CG1-CB 3.73Å; V396-Q469 HydrophobicContact CG2-CB 4.32Å; V396-Q469 PolarHBondContact O-OE1 2.9Å; V396-Q469 VanDerWaalsContact O-OE1 3.13Å; I398-Q469 HydrophobicContact CD1-CB 4.26Å; I398-Q469 HydrophobicContact CD1-CG 4.06Å; T456-Q469 CarbonylContact C-O 3.42Å; T456-Q469 WeakPolarHBondContact CA-O 3.42Å; C457-Q469 PolarHBondContact N-O 2.81Å; C457-Q469 PolarHBondContact O-N 3.37Å; C457-Q469 VanDerWaalsContact O-O 3.13Å |
| 470 | S | 80.9 | Confident | 62.4 | Low | 41 Ų | 41 | 69 Ų | 69 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.9 | -178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | R454 Y455 T456 | R454-S470 PolarHBondContact NE-OG 3.39Å; R454-S470 PolarHBondContact NH2-OG 3.46Å; Y455-S470 CarbonylContact O-C 3.55Å; Y455-S470 WeakPolarHBondContact O-CA 3.36Å; T456-S470 WeakPolarHBondContact OG1-CB 3.01Å |
| 471 | V | 76.2 | Confident | 60.2 | Low | 28 Ų | 28 | 74.9 Ų | 74.9 | 17% | 0.17 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.9 | 167.3 | 63.6 | 0 | 0 | 0 | 0 | 108.6 | I398 L413 W428 Y455 L473 | I398-V471 HydrophobicContact CD1-CB 4.26Å; I398-V471 HydrophobicContact CD1-CG1 4.21Å; I398-V471 HydrophobicContact CG2-CG1 4.42Å; L413-V471 HydrophobicContact CD1-CG1 3.79Å; W428-V471 HydrophobicContact CZ3-CG1 4.11Å; Y455-V471 PolarHBondContact N-O 3.2Å; Y455-V471 PolarHBondContact O-N 3.32Å; V471-L473 HydrophobicContact CG1-CD2 3.96Å; V471-L473 HydrophobicContact CG1-CG 4.3Å; V471-L473 HydrophobicContact CG2-CD2 3.91Å |
| 472 | E | 80.6 | Confident | 58.3 | Low | 135 Ų | 135 | 81.9 Ų | 81.9 | 63% | 0.631 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.6 | 177.1 | -173.2 | 154.8 | -144.4 | 0 | 0 | 109.8 | V474 | E472-V474 HydrophobicContact CG-CG2 4.13Å |
| 473 | L | 76.9 | Confident | 57.2 | Low | 3 Ų | 3 | 82.6 Ų | 82.6 | 2% | 0.016 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 103.9 | -172.7 | -60.2 | -175.1 | 0 | 0 | 0 | 109.5 | L405 L411 L413 F444 F447 Q452 G453 Y455 V471 | L405-L473 HydrophobicContact CD2-CB 3.78Å; L405-L473 HydrophobicContact CD2-CD2 4.18Å; L405-L473 HydrophobicContact CD2-CG 4.45Å; L411-L473 HydrophobicContact CD2-CD1 3.6Å; L411-L473 HydrophobicContact CD2-CD2 3.83Å; L411-L473 HydrophobicContact CD2-CG 4.33Å; L413-L473 HydrophobicContact CD1-CD1 4.05Å; L413-L473 HydrophobicContact CD1-CD2 4.18Å; F444-L473 HydrophobicContact CE2-CD1 3.63Å; F444-L473 HydrophobicContact CZ-CD1 3.74Å; F447-L473 HydrophobicContact CE2-CB 4.02Å; F447-L473 HydrophobicContact CE2-CD1 3.76Å; F447-L473 HydrophobicContact CZ-CB 3.58Å; F447-L473 HydrophobicContact CZ-CD1 4.2Å; Q452-L473 CarbonylContact C-O 3.51Å; Q452-L473 WeakPolarHBondContact CA-O 3.37Å; Q452-L473 WeakPolarHBondContact CB-O 3.41Å; G453-L473 PolarHBondContact N-O 2.83Å; G453-L473 PolarHBondContact O-N 3.28Å; Y455-L473 HydrophobicContact CD2-CB 4.22Å; Y455-L473 HydrophobicContact CD2-CD1 3.45Å; Y455-L473 VanDerWaalsContact CD2-CD1 3.45Å; Y455-L473 HydrophobicContact CD2-CG 3.82Å; Y455-L473 HydrophobicContact CE2-CB 4.4Å; Y455-L473 HydrophobicContact CE2-CD1 3.85Å; Y455-L473 HydrophobicContact CE2-CG 4.39Å; Y455-L473 HydrophobicContact CG-CD1 4.01Å; V471-L473 HydrophobicContact CG1-CD2 3.96Å; V471-L473 HydrophobicContact CG1-CG 4.3Å; V471-L473 HydrophobicContact CG2-CD2 3.91Å |
| 474 | V | 69.9 | Low | 56 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | trans | -111.8 | 133.4 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | E472 S476 | E472-V474 HydrophobicContact CG-CG2 4.13Å; V474-S476 PolarHBondContact O-N 2.66Å | ||
| 475 | V | 66.6 | Low | 55.2 | Low | 27 Ų | 27 | 87.2 Ų | 87.2 | 16% | 0.164 | 48% | 0.481 | C | S | . | . | trans | -71.9 | 126.9 | 175.9 | 164.1 | 0 | 0 | 0 | 0 | 109.8 | L407 F447 Q452 G477 | L407-V475 HydrophobicContact CD1-CG1 4.06Å; L407-V475 HydrophobicContact CD2-CG2 4.12Å; L407-V475 HydrophobicContact CG-CG1 3.78Å; L407-V475 HydrophobicContact CG-CG2 4.08Å; F447-V475 HydrophobicContact CD1-CG2 3.67Å; F447-V475 HydrophobicContact CE1-CG2 3.76Å; Q452-V475 HydrophobicContact CG-CB 4.26Å; Q452-V475 HydrophobicContact CG-CG2 3.74Å; V475-G477 WeakPolarHBondContact CG1-O 3.48Å | ||
| 476 | S | 51 | Low | 54.1 | Low | 82 Ų | 82 | 92.5 Ų | 92.5 | 57% | 0.573 | 51% | 0.51 | S | S | * | . | trans | -110.1 | 52.4 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L405 Y406 V474 | L405-S476 PolarHBondContact O-N 3.31Å; Y406-S476 WeakPolarHBondContact CD1-O 3.31Å; Y406-S476 WeakPolarHBondContact CE1-O 3.25Å; V474-S476 PolarHBondContact O-N 2.66Å | ||
| 477 | G | 45 | Very low | 53 | Low | 32 Ų | 32 | 94 Ų | 94 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 144.1 | 163.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | V475 | V475-G477 WeakPolarHBondContact CG1-O 3.48Š|
| 478 | T | 38.4 | Very low | 52.1 | Low | 134 Ų | 134 | 100.7 Ų | 100.7 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | trans | -104.7 | 154.5 | -170.5 | 46 | 0 | 0 | 0 | 0 | 115 | ||||
| 479 | S | 32.1 | Very low | 51.6 | Low | 58 Ų | 58 | 95.6 Ų | 95.6 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | trans | -70.1 | 146.2 | -170.5 | -166.6 | 0 | 0 | 0 | 0 | 115.7 | N408 | N408-S479 PolarHBondContact ND2-OG 2.98Š| ||
| 480 | T | 30.7 | Very low | 51.2 | Low | 133 Ų | 133 | 96.3 Ų | 96.3 | 82% | 0.816 | 53% | 0.531 | S | S | * | . | trans | -141.8 | 151.8 | 164.3 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 481 | E | 29.2 | Very low | 51.2 | Low | 161 Ų | 161 | 95.6 Ų | 95.6 | 75% | 0.752 | 52% | 0.523 | S | S | * | . | trans | -147.2 | 170.7 | -176.3 | -64.9 | -165.9 | 76.5 | 0 | 0 | 109.1 | ||||
| 482 | I | 25.7 | Very low | 51.3 | Low | 149 Ų | 149 | 100.3 Ų | 100.3 | 76% | 0.764 | 54% | 0.538 | S | S | * | . | cis | -140 | 143.9 | 17.4 | -49.2 | 161.1 | 0 | 0 | 0 | 109.8 | ||||
| 483 | P | 29.3 | Very low | 51.4 | Low | 81 Ų | 81 | 95 Ų | 95 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | trans | -89.3 | 144.6 | 177.3 | -2.7 | 22.5 | 0 | 0 | 0 | 114.6 | ||||
| 484 | E | 33.2 | Very low | 51.4 | Low | 182 Ų | 182 | 97.4 Ų | 97.4 | 85% | 0.85 | 53% | 0.526 | S | S | * | . | trans | -85.2 | 166.2 | 175.2 | -77.5 | -169.3 | 151.9 | 0 | 0 | 114.2 | ||||
| 485 | P | 36.3 | Very low | 51.7 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -108.3 | 111.5 | -154.8 | 37.2 | -29.6 | 0 | 0 | 0 | 115.9 | ||
| 486 | D | 38.6 | Very low | 51.2 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | trans | -144.8 | 34.9 | 155 | -146.7 | -1.3 | 0 | 0 | 0 | 111.5 | ||||
| 487 | R | 46.3 | Very low | 51.1 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | trans | -81.9 | 122 | -169.8 | -67.9 | -176.8 | 175.3 | -158.6 | -6.8 | 111.7 | Y489 | R487-Y489 HydrophobicContact CB-CE1 4.41Å; R487-Y489 HydrophobicContact CB-CE2 4.15Å; R487-Y489 WeakPolarHBondContact O-CD2 3.21Å; R487-Y489 WeakPolarHBondContact O-CE2 3.38Å | ||
| 488 | H | 53 | Low | 51.4 | Low | 165 Ų | 165 | 98.6 Ų | 98.6 | 76% | 0.764 | 52% | 0.524 | S | S | * | . | trans | -75.4 | 126.4 | 166.9 | -74.2 | 55.5 | 0 | 0 | 0 | 109.7 | P514 | H488-P514 WeakPolarHBondContact O-CD 3.29Š| ||
| 489 | Y | 68.8 | Low | 52.2 | Low | 47 Ų | 47 | 98.7 Ų | 98.7 | 18% | 0.184 | 51% | 0.51 | C | S | . | . | trans | -106.8 | 135.9 | -177.6 | -65.3 | -78.4 | 0 | 0 | 0 | 111.6 | R487 V512 P514 P516 L555 | R487-Y489 HydrophobicContact CB-CE1 4.41Å; R487-Y489 HydrophobicContact CB-CE2 4.15Å; R487-Y489 WeakPolarHBondContact O-CD2 3.21Å; R487-Y489 WeakPolarHBondContact O-CE2 3.38Å; Y489-V512 HydrophobicContact CD1-CG1 4.15Å; Y489-V512 HydrophobicContact CG-CG1 4.49Å; Y489-P514 HydrophobicContact CD1-CG 4.12Å; Y489-P514 WeakPolarHBondContact CD1-O 3.46Å; Y489-P514 HydrophobicContact CE1-CG 4.08Å; Y489-P514 VanDerWaalsContact CE1-O 3.31Å; Y489-P514 WeakPolarHBondContact CE1-O 3.06Å; Y489-P516 HydrophobicContact CD1-CB 4.5Å; Y489-P516 HydrophobicContact CD1-CG 3.84Å; Y489-P516 HydrophobicContact CE1-CB 3.92Å; Y489-P516 HydrophobicContact CE1-CG 3.74Å; Y489-L555 HydrophobicContact CD1-CD2 4.2Å; Y489-L555 HydrophobicContact CD2-CD2 3.42Å; Y489-L555 VanDerWaalsContact CD2-CD2 3.42Å; Y489-L555 HydrophobicContact CE1-CD2 4.22Å; Y489-L555 HydrophobicContact CE2-CD2 3.45Å; Y489-L555 VanDerWaalsContact CE2-CD2 3.45Å; Y489-L555 HydrophobicContact CG-CD2 3.81Å | ||
| 490 | T | 66.1 | Low | 53.4 | Low | 92 Ų | 92 | 96.8 Ų | 96.8 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151 | 177.4 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | V512 S513 | T490-V512 CarbonylContact O-C 3.58Å; T490-V512 WeakPolarHBondContact O-CA 3.39Å; T490-V512 WeakPolarHBondContact O-CG1 3.08Å; T490-S513 PolarHBondContact N-O 3.3Å; T490-S513 PolarHBondContact O-N 2.84Å; T490-S513 PolarHBondContact OG1-O 2.91Å |
| 491 | I | 81.9 | Confident | 54.9 | Low | 26 Ų | 26 | 99.5 Ų | 99.5 | 13% | 0.133 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.1 | -176.9 | -175.8 | 175.8 | 0 | 0 | 0 | 110.3 | V511 V512 A553 L560 F562 | I491-V511 WeakPolarHBondContact CA-O 3.02Å; I491-V512 HydrophobicContact CB-CG2 4.34Å; I491-V512 HydrophobicContact CG1-CG2 4.19Å; I491-A553 HydrophobicContact CD1-CB 3.68Å; I491-L560 HydrophobicContact CB-CB 3.93Å; I491-L560 HydrophobicContact CB-CD1 4.46Å; I491-L560 HydrophobicContact CD1-CB 3.99Å; I491-L560 HydrophobicContact CG2-CB 3.74Å; I491-F562 HydrophobicContact CD1-CB 4.3Å; I491-F562 HydrophobicContact CG1-CB 4.03Å; I491-F562 HydrophobicContact CG2-CB 4.09Å; I491-F562 WeakPolarHBondContact O-CD2 3.45Å |
| 492 | R | 76.6 | Confident | 56.9 | Low | 128 Ų | 128 | 97 Ų | 97 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153.6 | 176.4 | 61.1 | 179.5 | 178.9 | 159.6 | 2.5 | 111.8 | C510 V511 | R492-C510 WeakPolarHBondContact O-CA 3.26Å; R492-V511 HydrophobicContact CG-CB 4.05Å; R492-V511 PolarHBondContact N-O 2.88Å; R492-V511 PolarHBondContact O-N 3.08Å |
| 493 | I | 84 | Confident | 58.3 | Low | 23 Ų | 23 | 95.4 Ų | 95.4 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.4 | 165.4 | -70 | 169.3 | 0 | 0 | 0 | 108.3 | Q509 W523 Y549 C551 F562 | I493-Q509 CarbonylContact C-O 3.02Å; I493-Q509 WeakPolarHBondContact CA-O 3.42Å; I493-W523 HydrophobicContact CB-CH2 4.42Å; I493-W523 HydrophobicContact CD1-CH2 3.99Å; I493-W523 HydrophobicContact CD1-CZ3 3.65Å; I493-W523 HydrophobicContact CG1-CH2 3.76Å; I493-W523 HydrophobicContact CG1-CZ3 3.98Å; I493-W523 HydrophobicContact CG2-CH2 3.92Å; I493-W523 HydrophobicContact CG2-CZ3 4.36Å; I493-Y549 WeakPolarHBondContact CD1-O 3.43Å; I493-C551 HydrophobicContact CD1-CB 4.1Å; I493-C551 HydrophobicContact CG1-CB 4.06Å; I493-F562 HydrophobicContact CB-CD1 3.9Å; I493-F562 HydrophobicContact CB-CE1 4.3Å; I493-F562 HydrophobicContact CD1-CD1 3.99Å; I493-F562 HydrophobicContact CG1-CB 4.48Å; I493-F562 HydrophobicContact CG1-CD1 3.83Å |
| 494 | I | 75.8 | Confident | 60 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 27% | 0.272 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.6 | 171 | -53.8 | 177.9 | 0 | 0 | 0 | 107.8 | L508 Q509 V511 | I494-L508 CarbonylContact O-C 3.49Å; I494-L508 WeakPolarHBondContact O-CA 3.49Å; I494-Q509 HydrophobicContact CB-CB 4.4Å; I494-Q509 PolarHBondContact N-O 3.49Å; I494-Q509 PolarHBondContact O-N 3.3Å; I494-V511 HydrophobicContact CD1-CG2 3.76Å; I494-V511 HydrophobicContact CG1-CG2 4.35Å |
| 495 | Q | 77 | Confident | 61.7 | Low | 42 Ų | 42 | 89 Ų | 89 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.4 | 176.1 | -176.9 | -160.1 | -66.2 | 0 | 0 | 109.2 | P497 T498 V506 H507 L508 | Q495-P497 PolarHBondContact NE2-O 2.73Å; Q495-T498 VanDerWaalsContact NE2-C 3.32Å; Q495-T498 PolarHBondContact NE2-O 3.44Å; Q495-T498 VanDerWaalsContact NE2-O 3.07Å; Q495-T498 WeakPolarHBondContact O-CG2 3.24Å; Q495-V506 HydrophobicContact CG-CG1 3.9Å; Q495-H507 CarbonylContact C-O 3.56Å; Q495-H507 WeakPolarHBondContact CA-O 3.43Å; Q495-L508 HydrophobicContact CB-CD2 3.91Å; Q495-L508 HydrophobicContact CG-CD2 3.79Å |
| 496 | S | 57.1 | Low | 63.6 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.4 | 173.9 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | H507 | S496-H507 PolarHBondContact N-O 3.22Å; S496-H507 WeakPolarHBondContact O-CA 3.13Å; S496-H507 WeakPolarHBondContact O-CB 3.48Å; S496-H507 PolarHBondContact O-N 2.86Å |
| 497 | P | 47.2 | Very low | 65.8 | Low | 56 Ų | 56 | 77.8 Ų | 77.8 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | S | Bend | cis | -66.9 | 154.9 | -8.5 | 30.4 | -34.6 | 0 | 0 | 0 | 111.5 | Q495 Y499 F500 A505 | Q495-P497 PolarHBondContact NE2-O 2.73Å; P497-Y499 WeakPolarHBondContact CG-O 3.27Å; P497-Y499 PolarHBondContact O-N 2.68Å; P497-F500 HydrophobicContact CG-CB 4.27Å; P497-A505 VanDerWaalsContact CD-O 3.27Å; P497-A505 WeakPolarHBondContact CD-O 3.47Å |
| 498 | T | 52.6 | Low | 67.4 | Low | 97 Ų | 97 | 72 Ų | 72 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.5 | -16.6 | 178.6 | 38.4 | 0 | 0 | 0 | 0 | 113.6 | Q495 | Q495-T498 VanDerWaalsContact NE2-C 3.32Å; Q495-T498 PolarHBondContact NE2-O 3.44Å; Q495-T498 VanDerWaalsContact NE2-O 3.07Å; Q495-T498 WeakPolarHBondContact O-CG2 3.24Å |
| 499 | Y | 53.9 | Low | 68.9 | Low | 136 Ų | 136 | 68 Ų | 68 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -132.6 | 132.2 | 173.1 | -51.1 | -88.8 | 0 | 0 | 0 | 108.5 | P497 R599 | P497-Y499 WeakPolarHBondContact CG-O 3.27Å; P497-Y499 PolarHBondContact O-N 2.68Å; Y499-R599 VanDerWaalsContact CZ-NH1 3.31Å; Y499-R599 PolarHBondContact OH-NH1 2Å |
| 500 | F | 58.8 | Low | 69.6 | Low | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | trans | -151.3 | 166.1 | -176.5 | 66.2 | -92.1 | 0 | 0 | 0 | 110.2 | P497 D504 V506 F541 I566 I568 | P497-F500 HydrophobicContact CG-CB 4.27Å; F500-D504 HydrophobicContact CB-CB 4.02Å; F500-V506 HydrophobicContact CB-CG2 3.76Å; F500-V506 HydrophobicContact CD1-CG1 4.26Å; F500-V506 HydrophobicContact CD1-CG2 3.67Å; F500-V506 HydrophobicContact CD2-CG2 3.56Å; F500-V506 HydrophobicContact CE1-CG1 4.36Å; F500-V506 HydrophobicContact CE1-CG2 4.2Å; F500-V506 HydrophobicContact CE2-CG2 4.12Å; F500-V506 HydrophobicContact CG-CG2 3.34Å; F500-V506 HydrophobicContact CZ-CG2 4.42Å; F500-F541 HydrophobicContact CD2-CB 4.23Å; F500-F541 HydrophobicContact CD2-CD1 4.11Å; F500-F541 HydrophobicContact CD2-CD2 4.44Å; F500-F541 AromaticContact CD2-CG 3.99Å; F500-F541 HydrophobicContact CD2-CG 3.99Å; F500-F541 HydrophobicContact CE2-CB 4.32Å; F500-F541 AromaticContact CE2-CD1 3.45Å; F500-F541 HydrophobicContact CE2-CD1 3.45Å; F500-F541 VanDerWaalsContact CE2-CD1 3.45Å; F500-F541 AromaticContact CE2-CD2 3.87Å; F500-F541 HydrophobicContact CE2-CD2 3.87Å; F500-F541 AromaticContact CE2-CE1 3.58Å; F500-F541 HydrophobicContact CE2-CE1 3.58Å; F500-F541 AromaticContact CE2-CE2 4Å; F500-F541 HydrophobicContact CE2-CE2 4Å; F500-F541 AromaticContact CE2-CG 3.59Å; F500-F541 HydrophobicContact CE2-CG 3.59Å; F500-F541 AromaticContact CE2-CZ 3.85Å; F500-F541 HydrophobicContact CE2-CZ 3.85Å; F500-F541 HydrophobicContact CZ-CD1 4.36Å; F500-F541 HydrophobicContact CZ-CD2 4.27Å; F500-F541 HydrophobicContact CZ-CE1 4.12Å; F500-F541 HydrophobicContact CZ-CE2 4.03Å; F500-F541 HydrophobicContact CZ-CG 4.42Å; F500-F541 AromaticContact CZ-CZ 3.95Å; F500-F541 HydrophobicContact CZ-CZ 3.95Å; F500-I566 HydrophobicContact CE1-CG2 3.92Å; F500-I566 HydrophobicContact CZ-CG2 3.52Å; F500-I568 HydrophobicContact CD2-CD1 4.37Å; F500-I568 HydrophobicContact CD2-CG1 4.09Å; F500-I568 HydrophobicContact CE2-CD1 4.03Å; F500-I568 HydrophobicContact CE2-CG1 3.54Å; F500-I568 HydrophobicContact CZ-CG1 4.18Å | ||
| 501 | R | 61 | Low | 70.3 | Confident | 191 Ų | 191 | 62.6 Ų | 62.6 | 72% | 0.721 | 31% | 0.307 | S | S | * | . | trans | -121.5 | 172.3 | 176.2 | -57.6 | 179.6 | -178.2 | 179.6 | 1.5 | 110.5 | N503 D504 | R501-N503 PolarHBondContact O-N 2.74Å; R501-D504 WeakPolarHBondContact CB-OD2 3.47Å; R501-D504 PolarHBondContact N-OD2 3.05Å; R501-D504 WeakPolarHBondContact O-CB 3.4Å; R501-D504 PolarHBondContact O-N 2.78Å; R501-D504 VanDerWaalsContact O-N 3.08Å | ||
| 502 | Y | 70.7 | Confident | 70 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 133.8 | 171.1 | -68.9 | -56.2 | 0 | 0 | 0 | 110.9 | F541 P543 V546 I568 | Y502-F541 CarbonylContact C-O 3.48Å; Y502-F541 VanDerWaalsContact CA-O 3.32Å; Y502-F541 WeakPolarHBondContact CA-O 3.24Å; Y502-F541 HydrophobicContact CD1-CD1 4.03Å; Y502-F541 HydrophobicContact CD1-CE1 4.48Å; Y502-F541 HydrophobicContact CE1-CD1 4.21Å; Y502-F541 HydrophobicContact CE1-CE1 4.19Å; Y502-P543 HydrophobicContact CD1-CG 4.16Å; Y502-P543 HydrophobicContact CE1-CB 4.2Å; Y502-P543 HydrophobicContact CE1-CG 3.96Å; Y502-V546 HydrophobicContact CE1-CG2 3.94Å; Y502-V546 WeakPolarHBondContact OH-CG2 3.46Å; Y502-I568 HydrophobicContact CD1-CD1 3.55Å; Y502-I568 HydrophobicContact CD2-CD1 3.77Å; Y502-I568 HydrophobicContact CE1-CD1 3.61Å; Y502-I568 HydrophobicContact CE2-CD1 3.85Å; Y502-I568 HydrophobicContact CG-CD1 3.63Å |
| 503 | N | 56.1 | Low | 69 | Low | 117 Ų | 117 | 58.3 Ų | 58.3 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -5.2 | -170.7 | -47.4 | -85.2 | 0 | 0 | 0 | 117.1 | R501 F541 | R501-N503 PolarHBondContact O-N 2.74Å; N503-F541 PolarHBondContact N-O 2.8Å |
| 504 | D | 65.8 | Low | 67.3 | Low | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -71.8 | 154.8 | 171 | -69.3 | -21.8 | 0 | 0 | 0 | 110.9 | F500 R501 F541 | F500-D504 HydrophobicContact CB-CB 4.02Å; R501-D504 WeakPolarHBondContact CB-OD2 3.47Å; R501-D504 PolarHBondContact N-OD2 3.05Å; R501-D504 WeakPolarHBondContact O-CB 3.4Å; R501-D504 PolarHBondContact O-N 2.78Å; R501-D504 VanDerWaalsContact O-N 3.08Å; D504-F541 WeakPolarHBondContact O-CB 3.46Å; D504-F541 PolarHBondContact O-N 2.87Å |
| 505 | A | 68.2 | Low | 66.4 | Low | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 31% | 0.314 | S | S | . | . | trans | -82.1 | 127.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P497 I538 | P497-A505 VanDerWaalsContact CD-O 3.27Å; P497-A505 WeakPolarHBondContact CD-O 3.47Å; A505-I538 CarbonylContact C-O 3.51Å; A505-I538 VanDerWaalsContact CA-O 3.32Å; A505-I538 WeakPolarHBondContact CA-O 3.41Å | ||
| 506 | V | 75.6 | Confident | 65.6 | Low | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124 | -178 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | Q495 F500 L508 I538 F541 | Q495-V506 HydrophobicContact CG-CG1 3.9Å; F500-V506 HydrophobicContact CB-CG2 3.76Å; F500-V506 HydrophobicContact CD1-CG1 4.26Å; F500-V506 HydrophobicContact CD1-CG2 3.67Å; F500-V506 HydrophobicContact CD2-CG2 3.56Å; F500-V506 HydrophobicContact CE1-CG1 4.36Å; F500-V506 HydrophobicContact CE1-CG2 4.2Å; F500-V506 HydrophobicContact CE2-CG2 4.12Å; F500-V506 HydrophobicContact CG-CG2 3.34Å; F500-V506 HydrophobicContact CZ-CG2 4.42Å; V506-L508 HydrophobicContact CG1-CD2 4.31Å; V506-L508 HydrophobicContact CG1-CG 4.5Å; V506-I538 HydrophobicContact CB-CB 4.41Å; V506-I538 PolarHBondContact N-O 3.33Å; V506-I538 PolarHBondContact O-N 2.89Å; V506-F541 HydrophobicContact CB-CD2 4.12Å; V506-F541 HydrophobicContact CG2-CB 3.89Å; V506-F541 HydrophobicContact CG2-CD2 3.85Å; V506-F541 HydrophobicContact CG2-CG 4.13Å |
| 507 | H | 84.3 | Confident | 65.7 | Low | 32 Ų | 32 | 61.8 Ų | 61.8 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133 | 178.5 | -169 | -151 | 0 | 0 | 0 | 110.5 | Q495 S496 D535 I536 R537 | Q495-H507 CarbonylContact C-O 3.56Å; Q495-H507 WeakPolarHBondContact CA-O 3.43Å; S496-H507 PolarHBondContact N-O 3.22Å; S496-H507 WeakPolarHBondContact O-CA 3.13Å; S496-H507 WeakPolarHBondContact O-CB 3.48Å; S496-H507 PolarHBondContact O-N 2.86Å; H507-D535 IonicContact CD2-OD2 2.78Å; H507-D535 IonicContact CE1-OD2 2.78Å; H507-D535 WeakPolarHBondContact NE2-CB 3.21Å; H507-D535 IonicContact NE2-OD2 2.73Å; H507-D535 PolarHBondContact NE2-OD2 2.81Å; H507-I536 PolarHBondContact CD2-O 2.85Å; H507-R537 WeakPolarHBondContact CD2-CG 3.27Å |
| 508 | L | 81.5 | Confident | 66.1 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.9 | -178.3 | -61.7 | 173.3 | 0 | 0 | 0 | 109 | I494 Q495 V506 W523 D535 I536 I538 Y549 I566 | I494-L508 CarbonylContact O-C 3.49Å; I494-L508 WeakPolarHBondContact O-CA 3.49Å; Q495-L508 HydrophobicContact CB-CD2 3.91Å; Q495-L508 HydrophobicContact CG-CD2 3.79Å; V506-L508 HydrophobicContact CG1-CD2 4.31Å; V506-L508 HydrophobicContact CG1-CG 4.5Å; L508-W523 HydrophobicContact CB-CH2 3.66Å; L508-W523 HydrophobicContact CB-CZ2 4.2Å; L508-W523 HydrophobicContact CB-CZ3 4.19Å; L508-W523 WeakPolarHBondContact O-CZ2 3.12Å; L508-D535 CarbonylContact O-C 3.57Å; L508-D535 WeakPolarHBondContact O-CA 3.29Å; L508-I536 PolarHBondContact N-O 2.92Å; L508-I536 PolarHBondContact O-N 3.04Å; L508-I538 HydrophobicContact CD1-CD1 4.03Å; L508-Y549 HydrophobicContact CD1-CD1 3.41Å; L508-Y549 VanDerWaalsContact CD1-CD1 3.41Å; L508-Y549 HydrophobicContact CD1-CE1 3.63Å; L508-Y549 HydrophobicContact CD1-CG 3.96Å; L508-I566 HydrophobicContact CD1-CD1 3.41Å; L508-I566 VanDerWaalsContact CD1-CD1 3.41Å; L508-I566 HydrophobicContact CD2-CD1 3.48Å; L508-I566 VanDerWaalsContact CD2-CD1 3.48Å; L508-I566 HydrophobicContact CG-CD1 4.08Å |
| 509 | Q | 82.8 | Confident | 67.2 | Low | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.7 | -179.5 | -61.7 | -178.7 | -48.8 | 0 | 0 | 110.6 | I493 I494 V511 D535 | I493-Q509 CarbonylContact C-O 3.02Å; I493-Q509 WeakPolarHBondContact CA-O 3.42Å; I494-Q509 HydrophobicContact CB-CB 4.4Å; I494-Q509 PolarHBondContact N-O 3.49Å; I494-Q509 PolarHBondContact O-N 3.3Å; Q509-V511 HydrophobicContact CB-CG2 4.49Å; Q509-D535 HydrophobicContact CB-CB 4.44Å; Q509-D535 HydrophobicContact CG-CB 3.97Å |
| 510 | C | 84.5 | Confident | 68.4 | Low | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.5 | 173 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | R492 Y521 W523 A534 C551 | R492-C510 WeakPolarHBondContact O-CA 3.26Å; C510-Y521 HydrophobicContact CB-CD1 4.07Å; C510-Y521 HydrophobicContact CB-CE1 4.16Å; C510-W523 HydrophobicContact CB-CH2 4.34Å; C510-W523 HydrophobicContact CB-CZ2 3.57Å; C510-A534 VanDerWaalsContact CB-O 3.24Å; C510-A534 WeakPolarHBondContact CB-O 3.19Å; C510-A534 PolarHBondContact N-O 3.38Å; C510-C551 HydrophobicContact CB-CB 3.7Å; C510-C551 WeakPolarHBondContact CB-SG 3.23Å; C510-C551 WeakPolarHBondContact SG-CB 3.4Å; C510-C551 CovalentContact SG-SG 2.02Å; C510-C551 PolarHBondContact SG-SG 3.33Å |
| 511 | V | 81.1 | Confident | 69.7 | Low | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.4 | -173.7 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | I491 R492 I494 Q509 | I491-V511 WeakPolarHBondContact CA-O 3.02Å; R492-V511 HydrophobicContact CG-CB 4.05Å; R492-V511 PolarHBondContact N-O 2.88Å; R492-V511 PolarHBondContact O-N 3.08Å; I494-V511 HydrophobicContact CD1-CG2 3.76Å; I494-V511 HydrophobicContact CG1-CG2 4.35Å; Q509-V511 HydrophobicContact CB-CG2 4.49Å |
| 512 | V | 74.4 | Confident | 70.9 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.9 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | Y489 T490 I491 P514 T515 P516 V519 Y521 A553 L560 | Y489-V512 HydrophobicContact CD1-CG1 4.15Å; Y489-V512 HydrophobicContact CG-CG1 4.49Å; T490-V512 CarbonylContact O-C 3.58Å; T490-V512 WeakPolarHBondContact O-CA 3.39Å; T490-V512 WeakPolarHBondContact O-CG1 3.08Å; I491-V512 HydrophobicContact CB-CG2 4.34Å; I491-V512 HydrophobicContact CG1-CG2 4.19Å; V512-P514 CarbonylContact O-C 3.42Å; V512-T515 WeakPolarHBondContact O-CA 3.49Å; V512-T515 PolarHBondContact O-N 3.5Å; V512-P516 HydrophobicContact CB-CG 4.15Å; V512-P516 HydrophobicContact CG1-CG 3.55Å; V512-V519 HydrophobicContact CG2-CG2 4.5Å; V512-Y521 HydrophobicContact CG2-CE1 4.08Å; V512-A553 HydrophobicContact CG2-CB 3.48Å; V512-A553 VanDerWaalsContact CG2-CB 3.48Å; V512-L560 HydrophobicContact CG1-CD1 3.63Å; V512-L560 HydrophobicContact CG2-CD1 4.22Å |
| 513 | S | 57.3 | Low | 71.8 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.1 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | T490 | T490-S513 PolarHBondContact N-O 3.3Å; T490-S513 PolarHBondContact O-N 2.84Å; T490-S513 PolarHBondContact OG1-O 2.91Å |
| 514 | P | 48 | Very low | 73.3 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -64.7 | 154.3 | -9 | 29.6 | -35.3 | 0 | 0 | 0 | 111.3 | H488 Y489 V512 P516 | H488-P514 WeakPolarHBondContact O-CD 3.29Å; Y489-P514 HydrophobicContact CD1-CG 4.12Å; Y489-P514 WeakPolarHBondContact CD1-O 3.46Å; Y489-P514 HydrophobicContact CE1-CG 4.08Å; Y489-P514 VanDerWaalsContact CE1-O 3.31Å; Y489-P514 WeakPolarHBondContact CE1-O 3.06Å; V512-P514 CarbonylContact O-C 3.42Å; P514-P516 VanDerWaalsContact O-CD 3.31Å; P514-P516 WeakPolarHBondContact O-CD 3.22Å |
| 515 | T | 56.9 | Low | 74.1 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 120.7 | -174.8 | -13.6 | 0 | 0 | 0 | 0 | 111.2 | V512 | V512-T515 WeakPolarHBondContact O-CA 3.49Å; V512-T515 PolarHBondContact O-N 3.5Å |
| 516 | P | 59.7 | Low | 74.6 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 153.6 | 179 | -15.5 | 29.8 | 0 | 0 | 0 | 111.9 | Y489 V512 P514 L518 V519 L555 | Y489-P516 HydrophobicContact CD1-CB 4.5Å; Y489-P516 HydrophobicContact CD1-CG 3.84Å; Y489-P516 HydrophobicContact CE1-CB 3.92Å; Y489-P516 HydrophobicContact CE1-CG 3.74Å; V512-P516 HydrophobicContact CB-CG 4.15Å; V512-P516 HydrophobicContact CG1-CG 3.55Å; P514-P516 VanDerWaalsContact O-CD 3.31Å; P514-P516 WeakPolarHBondContact O-CD 3.22Å; P516-L518 VanDerWaalsContact C-N 3.34Å; P516-V519 HydrophobicContact CB-CB 4.08Å; P516-V519 HydrophobicContact CB-CG1 4.29Å; P516-V519 HydrophobicContact CG-CB 3.99Å; P516-V519 HydrophobicContact CG-CG1 4.12Å; P516-V519 HydrophobicContact CG-CG2 4.47Å; P516-L555 HydrophobicContact CB-CD2 3.72Å; P516-L555 HydrophobicContact CB-CG 4.02Å; P516-L555 HydrophobicContact CG-CD1 4.29Å; P516-L555 HydrophobicContact CG-CD2 3.7Å; P516-L555 HydrophobicContact CG-CG 3.97Å |
| 517 | P | 58.4 | Low | 74.6 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 79% | 0.792 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -69.8 | -31.8 | 176.1 | 28.4 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 518 | L | 56.4 | Low | 74.3 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -135.7 | 119.4 | 173.6 | -91 | 155.7 | 0 | 0 | 0 | 108.5 | P516 | P516-L518 VanDerWaalsContact C-N 3.34Š|
| 519 | V | 75.7 | Confident | 74.4 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | trans | -148.9 | 137.2 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | V512 P516 Y521 A553 R554 L555 | V512-V519 HydrophobicContact CG2-CG2 4.5Å; P516-V519 HydrophobicContact CB-CB 4.08Å; P516-V519 HydrophobicContact CB-CG1 4.29Å; P516-V519 HydrophobicContact CG-CB 3.99Å; P516-V519 HydrophobicContact CG-CG1 4.12Å; P516-V519 HydrophobicContact CG-CG2 4.47Å; V519-Y521 HydrophobicContact CG1-CE2 3.85Å; V519-Y521 HydrophobicContact CG2-CE1 4.43Å; V519-Y521 HydrophobicContact CG2-CE2 4.45Å; V519-A553 HydrophobicContact CG2-CB 3.77Å; V519-R554 WeakPolarHBondContact CA-O 3.29Å; V519-L555 HydrophobicContact CB-CG 4.4Å; V519-L555 HydrophobicContact CG2-CD1 3.99Å; V519-L555 HydrophobicContact CG2-CG 4.33Å | ||
| 520 | S | 79.9 | Confident | 74.5 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.4 | 176.1 | 56 | 0 | 0 | 0 | 0 | 110.2 | A553 R554 | S520-A553 CarbonylContact O-C 3.58Å; S520-A553 WeakPolarHBondContact O-CA 3.36Å; S520-R554 PolarHBondContact N-O 2.69Å; S520-R554 PolarHBondContact O-N 2.75Å; S520-R554 PolarHBondContact OG-O 2.95Å |
| 521 | Y | 85.8 | Confident | 74.4 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.7 | -174.9 | -63.7 | -83.5 | 0 | 0 | 0 | 111 | C510 V512 V519 R532 Q533 A534 V552 A553 | C510-Y521 HydrophobicContact CB-CD1 4.07Å; C510-Y521 HydrophobicContact CB-CE1 4.16Å; V512-Y521 HydrophobicContact CG2-CE1 4.08Å; V519-Y521 HydrophobicContact CG1-CE2 3.85Å; V519-Y521 HydrophobicContact CG2-CE1 4.43Å; V519-Y521 HydrophobicContact CG2-CE2 4.45Å; Y521-R532 CarbonylContact O-C 3.39Å; Y521-R532 WeakPolarHBondContact O-CA 3.36Å; Y521-R532 WeakPolarHBondContact O-CB 3.49Å; Y521-Q533 WeakPolarHBondContact CB-O 3.18Å; Y521-A534 HydrophobicContact CD2-CB 3.77Å; Y521-A534 HydrophobicContact CE2-CB 3.7Å; Y521-A534 HydrophobicContact CG-CB 4.33Å; Y521-V552 CarbonylContact C-O 3.42Å; Y521-V552 WeakPolarHBondContact CA-O 3.31Å; Y521-A553 HydrophobicContact CD1-CB 3.82Å; Y521-A553 HydrophobicContact CE1-CB 3.72Å |
| 522 | E | 86.4 | Confident | 74.6 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122.2 | 167.9 | -57 | -166.3 | 108.9 | 0 | 0 | 108.8 | F524 L529 R532 V552 R554 | E522-F524 HydrophobicContact CB-CE2 3.69Å; E522-F524 HydrophobicContact CB-CZ 4.21Å; E522-L529 HydrophobicContact CB-CD1 3.8Å; E522-L529 HydrophobicContact CG-CD1 4.44Å; E522-R532 HydrophobicContact CG-CG 4.24Å; E522-R532 IonicContact OE1-CZ 3.32Å; E522-R532 VanDerWaalsContact OE1-CZ 3.25Å; E522-R532 IonicContact OE1-NE 2.75Å; E522-R532 PolarHBondContact OE1-NE 3.45Å; E522-R532 IonicContact OE1-NH2 2.77Å; E522-R532 PolarHBondContact OE1-NH2 3.14Å; E522-V552 HydrophobicContact CB-CB 4.26Å; E522-V552 PolarHBondContact N-O 2.66Å; E522-V552 PolarHBondContact O-N 2.99Å; E522-R554 IonicContact OE2-CZ 2.77Å; E522-R554 IonicContact OE2-NE 3.38Å; E522-R554 PolarHBondContact OE2-NE 2.64Å; E522-R554 IonicContact OE2-NH2 2.65Å; E522-R554 PolarHBondContact OE2-NH2 3.04Å |
| 523 | W | 88.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.2 | 178.8 | -80.8 | 93.8 | 0 | 0 | 0 | 110.8 | I493 L508 C510 L529 I530 G531 Q533 A534 I536 Q550 C551 | I493-W523 HydrophobicContact CB-CH2 4.42Å; I493-W523 HydrophobicContact CD1-CH2 3.99Å; I493-W523 HydrophobicContact CD1-CZ3 3.65Å; I493-W523 HydrophobicContact CG1-CH2 3.76Å; I493-W523 HydrophobicContact CG1-CZ3 3.98Å; I493-W523 HydrophobicContact CG2-CH2 3.92Å; I493-W523 HydrophobicContact CG2-CZ3 4.36Å; L508-W523 HydrophobicContact CB-CH2 3.66Å; L508-W523 HydrophobicContact CB-CZ2 4.2Å; L508-W523 HydrophobicContact CB-CZ3 4.19Å; L508-W523 WeakPolarHBondContact O-CZ2 3.12Å; C510-W523 HydrophobicContact CB-CH2 4.34Å; C510-W523 HydrophobicContact CB-CZ2 3.57Å; W523-L529 CarbonylContact O-C 3.59Å; W523-L529 WeakPolarHBondContact O-CA 3.35Å; W523-I530 HydrophobicContact CB-CD1 4.46Å; W523-I530 HydrophobicContact CB-CG1 3.99Å; W523-I530 WeakPolarHBondContact O-CG1 2.98Å; W523-I530 PolarHBondContact O-N 3.28Å; W523-G531 PolarHBondContact N-O 3.48Å; W523-G531 PolarHBondContact O-N 2.76Å; W523-Q533 PolarHBondContact NE1-O 3.09Å; W523-Q533 VanDerWaalsContact NE1-O 3.14Å; W523-A534 PolarHBondContact NE1-O 2.85Å; W523-A534 VanDerWaalsContact NE1-O 3.14Å; W523-I536 HydrophobicContact CB-CD1 3.4Å; W523-I536 VanDerWaalsContact CB-CD1 3.4Å; W523-I536 HydrophobicContact CB-CG1 4.44Å; W523-I536 HydrophobicContact CD2-CD1 4.02Å; W523-I536 HydrophobicContact CD2-CG1 4.34Å; W523-I536 HydrophobicContact CG-CD1 3.48Å; W523-I536 VanDerWaalsContact CG-CD1 3.48Å; W523-I536 HydrophobicContact CG-CG1 4.03Å; W523-Q550 CarbonylContact C-O 3.55Å; W523-Q550 WeakPolarHBondContact CA-O 3.17Å; W523-C551 HydrophobicContact CD2-CB 4.14Å; W523-C551 HydrophobicContact CE3-CB 4.15Å; W523-C551 HydrophobicContact CH2-CB 4.41Å; W523-C551 HydrophobicContact CZ2-CB 4.4Å; W523-C551 HydrophobicContact CZ3-CB 4.28Å |
| 524 | F | 88.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.5 | 176.9 | -58.7 | -99.7 | 0 | 0 | 0 | 110.1 | E522 V528 L529 Y549 Q550 V552 | E522-F524 HydrophobicContact CB-CE2 3.69Å; E522-F524 HydrophobicContact CB-CZ 4.21Å; F524-V528 CarbonylContact C-O 3.59Å; F524-V528 WeakPolarHBondContact CA-O 3.4Å; F524-L529 HydrophobicContact CD1-CB 4.06Å; F524-L529 HydrophobicContact CD1-CD1 4.36Å; F524-L529 HydrophobicContact CD2-CD1 4.49Å; F524-L529 HydrophobicContact CE1-CB 3.88Å; F524-L529 HydrophobicContact CE1-CD1 3.92Å; F524-L529 HydrophobicContact CE2-CD1 4.06Å; F524-L529 HydrophobicContact CZ-CD1 3.74Å; F524-Y549 CarbonylContact O-C 3.54Å; F524-Y549 WeakPolarHBondContact O-CA 3.18Å; F524-Q550 HydrophobicContact CB-CB 4.3Å; F524-Q550 PolarHBondContact N-O 3.5Å; F524-Q550 PolarHBondContact O-N 3.24Å; F524-V552 HydrophobicContact CD2-CG2 3.96Å; F524-V552 HydrophobicContact CE2-CB 4.37Å; F524-V552 HydrophobicContact CE2-CG2 3.71Å |
| 525 | K | 82.3 | Confident | 77.2 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.9 | 169 | 177.6 | -173.9 | -179.9 | -172 | 0 | 107 | G527 V528 I530 D544 D545 R548 Y549 | K525-G527 PolarHBondContact O-N 3.47Å; K525-V528 PolarHBondContact N-O 2.8Å; K525-V528 PolarHBondContact O-N 2.84Å; K525-I530 HydrophobicContact CB-CD1 3.85Å; K525-I530 HydrophobicContact CB-CG1 4.11Å; K525-I530 HydrophobicContact CB-CG2 3.69Å; K525-I530 HydrophobicContact CD-CG2 4.31Å; K525-D544 WeakPolarHBondContact CE-O 3.43Å; K525-D544 PolarHBondContact NZ-O 3.02Å; K525-D545 IonicContact NZ-OD1 2.69Å; K525-D545 PolarHBondContact NZ-OD1 2.81Å; K525-R548 WeakPolarHBondContact CA-O 3.34Å; K525-Y549 HydrophobicContact CB-CE1 4.35Å; K525-Y549 HydrophobicContact CD-CE1 4.25Å; K525-Y549 HydrophobicContact CD-CE2 4.13Å; K525-Y549 WeakPolarHBondContact CD-OH 3.32Å; K525-Y549 VanDerWaalsContact CE-OH 3.27Å; K525-Y549 WeakPolarHBondContact CE-OH 3.48Å; K525-Y549 HydrophobicContact CG-CD2 4.39Å; K525-Y549 HydrophobicContact CG-CE1 4.32Å; K525-Y549 HydrophobicContact CG-CE2 3.87Å |
| 526 | D | 77.3 | Confident | 78.5 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35 | -178.5 | -56.2 | -65.8 | 0 | 0 | 0 | 113.8 | G547 R548 | D526-G547 VanDerWaalsContact OD2-CA 3.23Å; D526-G547 WeakPolarHBondContact OD2-CA 3.21Å; D526-R548 PolarHBondContact N-O 2.84Å; D526-R548 WeakPolarHBondContact OD1-CB 3.49Å; D526-R548 PolarHBondContact OD1-N 2.64Å; D526-R548 PolarHBondContact OD2-N 3.4Å |
| 527 | G | 76.7 | Confident | 79.5 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 62% | 0.619 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -7.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K525 | K525-G527 PolarHBondContact O-N 3.47Š|
| 528 | V | 78.7 | Confident | 80.5 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 61% | 0.606 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.2 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | F524 K525 I530 | F524-V528 CarbonylContact C-O 3.59Å; F524-V528 WeakPolarHBondContact CA-O 3.4Å; K525-V528 PolarHBondContact N-O 2.8Å; K525-V528 PolarHBondContact O-N 2.84Å; V528-I530 PolarHBondContact O-N 2.95Å; V528-I530 VanDerWaalsContact O-N 3.16Å |
| 529 | L | 83.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 40% | 0.398 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 113 | 174.6 | -177.8 | 77.9 | 0 | 0 | 0 | 110 | E522 W523 F524 R532 | E522-L529 HydrophobicContact CB-CD1 3.8Å; E522-L529 HydrophobicContact CG-CD1 4.44Å; W523-L529 CarbonylContact O-C 3.59Å; W523-L529 WeakPolarHBondContact O-CA 3.35Å; F524-L529 HydrophobicContact CD1-CB 4.06Å; F524-L529 HydrophobicContact CD1-CD1 4.36Å; F524-L529 HydrophobicContact CD2-CD1 4.49Å; F524-L529 HydrophobicContact CE1-CB 3.88Å; F524-L529 HydrophobicContact CE1-CD1 3.92Å; F524-L529 HydrophobicContact CE2-CD1 4.06Å; F524-L529 HydrophobicContact CZ-CD1 3.74Å; L529-R532 HydrophobicContact CD1-CG 4.44Å |
| 530 | I | 84.2 | Confident | 81.3 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 35% | 0.354 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -19 | 179.9 | 53.7 | 158.7 | 0 | 0 | 0 | 113.8 | W523 K525 V528 I536 Y549 | W523-I530 HydrophobicContact CB-CD1 4.46Å; W523-I530 HydrophobicContact CB-CG1 3.99Å; W523-I530 WeakPolarHBondContact O-CG1 2.98Å; W523-I530 PolarHBondContact O-N 3.28Å; K525-I530 HydrophobicContact CB-CD1 3.85Å; K525-I530 HydrophobicContact CB-CG1 4.11Å; K525-I530 HydrophobicContact CB-CG2 3.69Å; K525-I530 HydrophobicContact CD-CG2 4.31Å; V528-I530 PolarHBondContact O-N 2.95Å; V528-I530 VanDerWaalsContact O-N 3.16Å; I530-I536 HydrophobicContact CD1-CD1 3.54Å; I530-I536 HydrophobicContact CD1-CG2 4.5Å; I530-I536 HydrophobicContact CG1-CD1 3.76Å; I530-Y549 HydrophobicContact CD1-CD1 3.79Å; I530-Y549 HydrophobicContact CD1-CE1 3.54Å |
| 531 | G | 81.8 | Confident | 81.1 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 168.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W523 | W523-G531 PolarHBondContact N-O 3.48Å; W523-G531 PolarHBondContact O-N 2.76Å |
| 532 | R | 85.6 | Confident | 80.4 | Confident | 167 Ų | 167 | 70.8 Ų | 70.8 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | trans | -133.2 | 15.7 | 175.5 | -72.5 | -171.3 | 163.4 | 159.7 | -6 | 113.8 | Y521 E522 L529 | Y521-R532 CarbonylContact O-C 3.39Å; Y521-R532 WeakPolarHBondContact O-CA 3.36Å; Y521-R532 WeakPolarHBondContact O-CB 3.49Å; E522-R532 HydrophobicContact CG-CG 4.24Å; E522-R532 IonicContact OE1-CZ 3.32Å; E522-R532 VanDerWaalsContact OE1-CZ 3.25Å; E522-R532 IonicContact OE1-NE 2.75Å; E522-R532 PolarHBondContact OE1-NE 3.45Å; E522-R532 IonicContact OE1-NH2 2.77Å; E522-R532 PolarHBondContact OE1-NH2 3.14Å; L529-R532 HydrophobicContact CD1-CG 4.44Å | ||
| 533 | Q | 80.6 | Confident | 79.4 | Confident | 129 Ų | 129 | 73.9 Ų | 73.9 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -85.9 | 161.3 | 173.5 | -71 | 150.3 | -65.3 | 0 | 0 | 109.4 | Y521 W523 D535 | Y521-Q533 WeakPolarHBondContact CB-O 3.18Å; W523-Q533 PolarHBondContact NE1-O 3.09Å; W523-Q533 VanDerWaalsContact NE1-O 3.14Å; Q533-D535 WeakPolarHBondContact CB-O 3.44Å; Q533-D535 PolarHBondContact O-N 3.47Å |
| 534 | A | 76.1 | Confident | 78.7 | Confident | 39 Ų | 39 | 80.4 Ų | 80.4 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -62.1 | -33 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C510 Y521 W523 | C510-A534 VanDerWaalsContact CB-O 3.24Å; C510-A534 WeakPolarHBondContact CB-O 3.19Å; C510-A534 PolarHBondContact N-O 3.38Å; Y521-A534 HydrophobicContact CD2-CB 3.77Å; Y521-A534 HydrophobicContact CE2-CB 3.7Å; Y521-A534 HydrophobicContact CG-CB 4.33Å; W523-A534 PolarHBondContact NE1-O 2.85Å; W523-A534 VanDerWaalsContact NE1-O 3.14Å |
| 535 | D | 76.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.5 | -177 | 67.5 | -57.7 | 0 | 0 | 0 | 113.5 | H507 L508 Q509 Q533 | H507-D535 IonicContact CD2-OD2 2.78Å; H507-D535 IonicContact CE1-OD2 2.78Å; H507-D535 WeakPolarHBondContact NE2-CB 3.21Å; H507-D535 IonicContact NE2-OD2 2.73Å; H507-D535 PolarHBondContact NE2-OD2 2.81Å; L508-D535 CarbonylContact O-C 3.57Å; L508-D535 WeakPolarHBondContact O-CA 3.29Å; Q509-D535 HydrophobicContact CB-CB 4.44Å; Q509-D535 HydrophobicContact CG-CB 3.97Å; Q533-D535 WeakPolarHBondContact CB-O 3.44Å; Q533-D535 PolarHBondContact O-N 3.47Å |
| 536 | I | 84.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130 | 176.2 | -68.9 | -170.1 | 0 | 0 | 0 | 109.7 | H507 L508 W523 I530 I538 | H507-I536 PolarHBondContact CD2-O 2.85Å; L508-I536 PolarHBondContact N-O 2.92Å; L508-I536 PolarHBondContact O-N 3.04Å; W523-I536 HydrophobicContact CB-CD1 3.4Å; W523-I536 VanDerWaalsContact CB-CD1 3.4Å; W523-I536 HydrophobicContact CB-CG1 4.44Å; W523-I536 HydrophobicContact CD2-CD1 4.02Å; W523-I536 HydrophobicContact CD2-CG1 4.34Å; W523-I536 HydrophobicContact CG-CD1 3.48Å; W523-I536 VanDerWaalsContact CG-CD1 3.48Å; W523-I536 HydrophobicContact CG-CG1 4.03Å; I530-I536 HydrophobicContact CD1-CD1 3.54Å; I530-I536 HydrophobicContact CD1-CG2 4.5Å; I530-I536 HydrophobicContact CG1-CD1 3.76Å; I536-I538 HydrophobicContact CG2-CG1 4.48Å |
| 537 | R | 81.1 | Confident | 78.1 | Confident | 172 Ų | 172 | 76.4 Ų | 76.4 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.5 | 173.2 | -67.1 | 178.5 | -177 | -149.4 | -3.4 | 110.2 | H507 | H507-R537 WeakPolarHBondContact CD2-CG 3.27Å |
| 538 | I | 80.2 | Confident | 78.4 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 93.2 | 170.6 | -53.1 | 171.1 | 0 | 0 | 0 | 105.7 | A505 V506 L508 I536 R540 F541 D545 Y549 | A505-I538 CarbonylContact C-O 3.51Å; A505-I538 VanDerWaalsContact CA-O 3.32Å; A505-I538 WeakPolarHBondContact CA-O 3.41Å; V506-I538 HydrophobicContact CB-CB 4.41Å; V506-I538 PolarHBondContact N-O 3.33Å; V506-I538 PolarHBondContact O-N 2.89Å; L508-I538 HydrophobicContact CD1-CD1 4.03Å; I536-I538 HydrophobicContact CG2-CG1 4.48Å; I538-R540 PolarHBondContact O-N 3.07Å; I538-R540 VanDerWaalsContact O-N 3.14Å; I538-F541 HydrophobicContact CD1-CD2 3.89Å; I538-F541 HydrophobicContact CD1-CE2 4.02Å; I538-F541 HydrophobicContact CG2-CB 4.28Å; I538-F541 HydrophobicContact CG2-CD2 4.09Å; I538-D545 HydrophobicContact CG2-CB 4.33Å; I538-Y549 HydrophobicContact CD1-CE1 4.01Å; I538-Y549 WeakPolarHBondContact CD1-OH 3.43Å |
| 539 | E | 75.4 | Confident | 78.9 | Confident | 147 Ų | 147 | 74.9 Ų | 74.9 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -57.6 | -28.3 | -172 | -69.2 | -81.9 | 126.6 | 0 | 0 | 114 | ||
| 540 | R | 72.6 | Confident | 79.2 | Confident | 190 Ų | 190 | 73.9 Ų | 73.9 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -148.8 | 105.9 | 173.2 | -64.1 | -176.2 | -171 | 171.1 | 2.3 | 108.8 | I538 S542 | I538-R540 PolarHBondContact O-N 3.07Å; I538-R540 VanDerWaalsContact O-N 3.14Å; R540-S542 PolarHBondContact O-N 2.79Å |
| 541 | F | 75.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -68.7 | 115.4 | -175.7 | -167.2 | -82.5 | 0 | 0 | 0 | 111.4 | F500 Y502 N503 D504 V506 I538 D545 V546 I566 I568 | F500-F541 HydrophobicContact CD2-CB 4.23Å; F500-F541 HydrophobicContact CD2-CD1 4.11Å; F500-F541 HydrophobicContact CD2-CD2 4.44Å; F500-F541 AromaticContact CD2-CG 3.99Å; F500-F541 HydrophobicContact CD2-CG 3.99Å; F500-F541 HydrophobicContact CE2-CB 4.32Å; F500-F541 AromaticContact CE2-CD1 3.45Å; F500-F541 HydrophobicContact CE2-CD1 3.45Å; F500-F541 VanDerWaalsContact CE2-CD1 3.45Å; F500-F541 AromaticContact CE2-CD2 3.87Å; F500-F541 HydrophobicContact CE2-CD2 3.87Å; F500-F541 AromaticContact CE2-CE1 3.58Å; F500-F541 HydrophobicContact CE2-CE1 3.58Å; F500-F541 AromaticContact CE2-CE2 4Å; F500-F541 HydrophobicContact CE2-CE2 4Å; F500-F541 AromaticContact CE2-CG 3.59Å; F500-F541 HydrophobicContact CE2-CG 3.59Å; F500-F541 AromaticContact CE2-CZ 3.85Å; F500-F541 HydrophobicContact CE2-CZ 3.85Å; F500-F541 HydrophobicContact CZ-CD1 4.36Å; F500-F541 HydrophobicContact CZ-CD2 4.27Å; F500-F541 HydrophobicContact CZ-CE1 4.12Å; F500-F541 HydrophobicContact CZ-CE2 4.03Å; F500-F541 HydrophobicContact CZ-CG 4.42Å; F500-F541 AromaticContact CZ-CZ 3.95Å; F500-F541 HydrophobicContact CZ-CZ 3.95Å; Y502-F541 CarbonylContact C-O 3.48Å; Y502-F541 VanDerWaalsContact CA-O 3.32Å; Y502-F541 WeakPolarHBondContact CA-O 3.24Å; Y502-F541 HydrophobicContact CD1-CD1 4.03Å; Y502-F541 HydrophobicContact CD1-CE1 4.48Å; Y502-F541 HydrophobicContact CE1-CD1 4.21Å; Y502-F541 HydrophobicContact CE1-CE1 4.19Å; N503-F541 PolarHBondContact N-O 2.8Å; D504-F541 WeakPolarHBondContact O-CB 3.46Å; D504-F541 PolarHBondContact O-N 2.87Å; V506-F541 HydrophobicContact CB-CD2 4.12Å; V506-F541 HydrophobicContact CG2-CB 3.89Å; V506-F541 HydrophobicContact CG2-CD2 3.85Å; V506-F541 HydrophobicContact CG2-CG 4.13Å; I538-F541 HydrophobicContact CD1-CD2 3.89Å; I538-F541 HydrophobicContact CD1-CE2 4.02Å; I538-F541 HydrophobicContact CG2-CB 4.28Å; I538-F541 HydrophobicContact CG2-CD2 4.09Å; F541-D545 HydrophobicContact CD1-CB 4.22Å; F541-D545 HydrophobicContact CD2-CB 3.81Å; F541-D545 HydrophobicContact CE1-CB 4.08Å; F541-D545 HydrophobicContact CE2-CB 3.64Å; F541-D545 WeakPolarHBondContact CE2-O 3.46Å; F541-D545 HydrophobicContact CG-CB 4.1Å; F541-D545 HydrophobicContact CZ-CB 3.8Å; F541-D545 WeakPolarHBondContact CZ-O 3.17Å; F541-V546 HydrophobicContact CE1-CG2 3.86Å; F541-V546 HydrophobicContact CZ-CG2 4.31Å; F541-I566 HydrophobicContact CE2-CG2 3.61Å; F541-I566 HydrophobicContact CZ-CG2 3.66Å; F541-I568 HydrophobicContact CD1-CD1 4.46Å | ||
| 542 | S | 72.3 | Confident | 79.7 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | trans | -99.8 | 169.6 | -177.7 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | R540 D544 D545 | R540-S542 PolarHBondContact O-N 2.79Å; S542-D544 PolarHBondContact O-N 3.46Å; S542-D544 PolarHBondContact OG-N 3.09Å; S542-D545 WeakPolarHBondContact CB-OD2 3.26Å; S542-D545 PolarHBondContact N-OD2 2.7Å; S542-D545 WeakPolarHBondContact O-CA 3.36Å; S542-D545 WeakPolarHBondContact O-CB 3.25Å; S542-D545 PolarHBondContact O-N 2.73Å; S542-D545 PolarHBondContact OG-N 3.18Å; S542-D545 PolarHBondContact OG-OD2 2.98Å | ||
| 543 | P | 65.1 | Low | 79.5 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -56.4 | -31.1 | 167.3 | -26.8 | 37 | 0 | 0 | 0 | 113.3 | Y502 D545 V546 | Y502-P543 HydrophobicContact CD1-CG 4.16Å; Y502-P543 HydrophobicContact CE1-CB 4.2Å; Y502-P543 HydrophobicContact CE1-CG 3.96Å; P543-D545 PolarHBondContact O-N 3.16Å; P543-V546 PolarHBondContact O-N 3.01Å |
| 544 | D | 72.8 | Confident | 79.6 | Confident | 138 Ų | 138 | 61.3 Ų | 61.3 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -72.2 | -9 | 174.6 | -59.4 | -45.3 | 0 | 0 | 0 | 112.6 | K525 S542 | K525-D544 WeakPolarHBondContact CE-O 3.43Å; K525-D544 PolarHBondContact NZ-O 3.02Å; S542-D544 PolarHBondContact O-N 3.46Å; S542-D544 PolarHBondContact OG-N 3.09Å |
| 545 | D | 81.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -95.6 | -7 | 175.4 | -62.3 | -60.4 | 0 | 0 | 0 | 114.8 | K525 I538 F541 S542 P543 G547 Y549 | K525-D545 IonicContact NZ-OD1 2.69Å; K525-D545 PolarHBondContact NZ-OD1 2.81Å; I538-D545 HydrophobicContact CG2-CB 4.33Å; F541-D545 HydrophobicContact CD1-CB 4.22Å; F541-D545 HydrophobicContact CD2-CB 3.81Å; F541-D545 HydrophobicContact CE1-CB 4.08Å; F541-D545 HydrophobicContact CE2-CB 3.64Å; F541-D545 WeakPolarHBondContact CE2-O 3.46Å; F541-D545 HydrophobicContact CG-CB 4.1Å; F541-D545 HydrophobicContact CZ-CB 3.8Å; F541-D545 WeakPolarHBondContact CZ-O 3.17Å; S542-D545 WeakPolarHBondContact CB-OD2 3.26Å; S542-D545 PolarHBondContact N-OD2 2.7Å; S542-D545 WeakPolarHBondContact O-CA 3.36Å; S542-D545 WeakPolarHBondContact O-CB 3.25Å; S542-D545 PolarHBondContact O-N 2.73Å; S542-D545 PolarHBondContact OG-N 3.18Å; S542-D545 PolarHBondContact OG-OD2 2.98Å; P543-D545 PolarHBondContact O-N 3.16Å; D545-G547 PolarHBondContact O-N 3.27Å; D545-Y549 WeakPolarHBondContact O-CE2 2.96Å; D545-Y549 PolarHBondContact O-OH 3.23Å |
| 546 | V | 74.3 | Confident | 78.6 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -66.9 | 120.2 | 166.2 | 180 | 0 | 0 | 0 | 0 | 108.7 | Y502 F541 P543 I566 | Y502-V546 HydrophobicContact CE1-CG2 3.94Å; Y502-V546 WeakPolarHBondContact OH-CG2 3.46Å; F541-V546 HydrophobicContact CE1-CG2 3.86Å; F541-V546 HydrophobicContact CZ-CG2 4.31Å; P543-V546 PolarHBondContact O-N 3.01Å; V546-I566 WeakPolarHBondContact CA-O 3.42Å | ||
| 547 | G | 79.9 | Confident | 77.4 | Confident | 10 Ų | 10 | 70 Ų | 70 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 179 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D526 D545 I566 | D526-G547 VanDerWaalsContact OD2-CA 3.23Å; D526-G547 WeakPolarHBondContact OD2-CA 3.21Å; D545-G547 PolarHBondContact O-N 3.27Å; G547-I566 PolarHBondContact N-O 2.79Å; G547-I566 PolarHBondContact O-N 2.72Å |
| 548 | R | 84.3 | Confident | 76.4 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 48% | 0.475 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 109.4 | 178.1 | -165.6 | -173.3 | -162.1 | -153.5 | 8.6 | 111 | K525 D526 N563 S564 | K525-R548 WeakPolarHBondContact CA-O 3.34Å; D526-R548 PolarHBondContact N-O 2.84Å; D526-R548 WeakPolarHBondContact OD1-CB 3.49Å; D526-R548 PolarHBondContact OD1-N 2.64Å; D526-R548 PolarHBondContact OD2-N 3.4Å; R548-N563 PolarHBondContact NH2-ND2 2.59Å; R548-S564 CarbonylContact C-O 3.48Å |
| 549 | Y | 89.5 | Confident | 76.3 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.6 | 179.5 | -74 | -111.7 | 0 | 0 | 0 | 110.3 | I493 L508 F524 K525 I530 I538 D545 S564 I566 | I493-Y549 WeakPolarHBondContact CD1-O 3.43Å; L508-Y549 HydrophobicContact CD1-CD1 3.41Å; L508-Y549 VanDerWaalsContact CD1-CD1 3.41Å; L508-Y549 HydrophobicContact CD1-CE1 3.63Å; L508-Y549 HydrophobicContact CD1-CG 3.96Å; F524-Y549 CarbonylContact O-C 3.54Å; F524-Y549 WeakPolarHBondContact O-CA 3.18Å; K525-Y549 HydrophobicContact CB-CE1 4.35Å; K525-Y549 HydrophobicContact CD-CE1 4.25Å; K525-Y549 HydrophobicContact CD-CE2 4.13Å; K525-Y549 WeakPolarHBondContact CD-OH 3.32Å; K525-Y549 VanDerWaalsContact CE-OH 3.27Å; K525-Y549 WeakPolarHBondContact CE-OH 3.48Å; K525-Y549 HydrophobicContact CG-CD2 4.39Å; K525-Y549 HydrophobicContact CG-CE1 4.32Å; K525-Y549 HydrophobicContact CG-CE2 3.87Å; I530-Y549 HydrophobicContact CD1-CD1 3.79Å; I530-Y549 HydrophobicContact CD1-CE1 3.54Å; I538-Y549 HydrophobicContact CD1-CE1 4.01Å; I538-Y549 WeakPolarHBondContact CD1-OH 3.43Å; D545-Y549 WeakPolarHBondContact O-CE2 2.96Å; D545-Y549 PolarHBondContact O-OH 3.23Å; Y549-S564 PolarHBondContact N-O 3.39Å; Y549-S564 PolarHBondContact O-N 2.88Å; Y549-S564 VanDerWaalsContact O-O 3.11Å; Y549-I566 HydrophobicContact CD1-CD1 4.39Å; Y549-I566 HydrophobicContact CD2-CB 4.34Å; Y549-I566 HydrophobicContact CD2-CD1 3.57Å; Y549-I566 HydrophobicContact CD2-CG1 4.03Å; Y549-I566 HydrophobicContact CE2-CD1 4.05Å; Y549-I566 HydrophobicContact CG-CD1 3.77Å |
| 550 | Q | 88.8 | Confident | 76.5 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121 | 177.8 | 164.9 | 166.1 | 37 | 0 | 0 | 109.8 | W523 F524 V552 F562 N563 | W523-Q550 CarbonylContact C-O 3.55Å; W523-Q550 WeakPolarHBondContact CA-O 3.17Å; F524-Q550 HydrophobicContact CB-CB 4.3Å; F524-Q550 PolarHBondContact N-O 3.5Å; F524-Q550 PolarHBondContact O-N 3.24Å; Q550-V552 HydrophobicContact CG-CG2 4.05Å; Q550-F562 CarbonylContact C-O 3.49Å; Q550-F562 WeakPolarHBondContact CA-O 3.27Å; Q550-N563 VanDerWaalsContact CB-OD1 3.26Å; Q550-N563 WeakPolarHBondContact CB-OD1 3.05Å; Q550-N563 WeakPolarHBondContact CG-OD1 3.31Å; Q550-N563 PolarHBondContact NE2-OD1 3.2Å |
| 551 | C | 89.3 | Confident | 77 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.6 | 164.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | I493 C510 W523 T561 F562 | I493-C551 HydrophobicContact CD1-CB 4.1Å; I493-C551 HydrophobicContact CG1-CB 4.06Å; C510-C551 HydrophobicContact CB-CB 3.7Å; C510-C551 WeakPolarHBondContact CB-SG 3.23Å; C510-C551 WeakPolarHBondContact SG-CB 3.4Å; C510-C551 CovalentContact SG-SG 2.02Å; C510-C551 PolarHBondContact SG-SG 3.33Å; W523-C551 HydrophobicContact CD2-CB 4.14Å; W523-C551 HydrophobicContact CE3-CB 4.15Å; W523-C551 HydrophobicContact CH2-CB 4.41Å; W523-C551 HydrophobicContact CZ2-CB 4.4Å; W523-C551 HydrophobicContact CZ3-CB 4.28Å; C551-T561 CarbonylContact O-C 3.58Å; C551-T561 VanDerWaalsContact O-CA 3.32Å; C551-T561 WeakPolarHBondContact O-CA 3.37Å; C551-F562 PolarHBondContact N-O 3.41Å; C551-F562 PolarHBondContact O-N 3.42Å |
| 552 | V | 86.4 | Confident | 77.3 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | Y521 E522 F524 Q550 R554 V559 L560 T561 | Y521-V552 CarbonylContact C-O 3.42Å; Y521-V552 WeakPolarHBondContact CA-O 3.31Å; E522-V552 HydrophobicContact CB-CB 4.26Å; E522-V552 PolarHBondContact N-O 2.66Å; E522-V552 PolarHBondContact O-N 2.99Å; F524-V552 HydrophobicContact CD2-CG2 3.96Å; F524-V552 HydrophobicContact CE2-CB 4.37Å; F524-V552 HydrophobicContact CE2-CG2 3.71Å; Q550-V552 HydrophobicContact CG-CG2 4.05Å; V552-R554 HydrophobicContact CG1-CG 4.06Å; V552-V559 HydrophobicContact CG1-CG1 3.66Å; V552-L560 CarbonylContact C-O 3.57Å; V552-L560 WeakPolarHBondContact CA-O 3.26Å; V552-T561 HydrophobicContact CB-CG2 4.29Å; V552-T561 HydrophobicContact CG1-CG2 4.06Å; V552-T561 HydrophobicContact CG2-CG2 3.92Å |
| 553 | A | 82.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I491 V512 V519 S520 Y521 L560 | I491-A553 HydrophobicContact CD1-CB 3.68Å; V512-A553 HydrophobicContact CG2-CB 3.48Å; V512-A553 VanDerWaalsContact CG2-CB 3.48Å; V519-A553 HydrophobicContact CG2-CB 3.77Å; S520-A553 CarbonylContact O-C 3.58Å; S520-A553 WeakPolarHBondContact O-CA 3.36Å; Y521-A553 HydrophobicContact CD1-CB 3.82Å; Y521-A553 HydrophobicContact CE1-CB 3.72Å; A553-L560 HydrophobicContact CB-CB 4.47Å; A553-L560 PolarHBondContact N-O 2.81Å; A553-L560 PolarHBondContact O-N 3.16Å |
| 554 | R | 81.4 | Confident | 78 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.5 | -177.5 | -52.9 | 179.2 | -179 | -83.7 | 0.3 | 110.1 | V519 S520 E522 V552 V559 | V519-R554 WeakPolarHBondContact CA-O 3.29Å; S520-R554 PolarHBondContact N-O 2.69Å; S520-R554 PolarHBondContact O-N 2.75Å; S520-R554 PolarHBondContact OG-O 2.95Å; E522-R554 IonicContact OE2-CZ 2.77Å; E522-R554 IonicContact OE2-NE 3.38Å; E522-R554 PolarHBondContact OE2-NE 2.64Å; E522-R554 IonicContact OE2-NH2 2.65Å; E522-R554 PolarHBondContact OE2-NH2 3.04Å; V552-R554 HydrophobicContact CG1-CG 4.06Å; R554-V559 HydrophobicContact CB-CG2 4.42Å; R554-V559 HydrophobicContact CG-CG1 4.18Å; R554-V559 HydrophobicContact CG-CG2 4.15Å |
| 555 | L | 69.4 | Low | 78.2 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 160.7 | 163 | -59.2 | 74 | 0 | 0 | 0 | 108 | Y489 P516 V519 S557 M558 L560 | Y489-L555 HydrophobicContact CD1-CD2 4.2Å; Y489-L555 HydrophobicContact CD2-CD2 3.42Å; Y489-L555 VanDerWaalsContact CD2-CD2 3.42Å; Y489-L555 HydrophobicContact CE1-CD2 4.22Å; Y489-L555 HydrophobicContact CE2-CD2 3.45Å; Y489-L555 VanDerWaalsContact CE2-CD2 3.45Å; Y489-L555 HydrophobicContact CG-CD2 3.81Å; P516-L555 HydrophobicContact CB-CD2 3.72Å; P516-L555 HydrophobicContact CB-CG 4.02Å; P516-L555 HydrophobicContact CG-CD1 4.29Å; P516-L555 HydrophobicContact CG-CD2 3.7Å; P516-L555 HydrophobicContact CG-CG 3.97Å; V519-L555 HydrophobicContact CB-CG 4.4Å; V519-L555 HydrophobicContact CG2-CD1 3.99Å; V519-L555 HydrophobicContact CG2-CG 4.33Å; L555-S557 PolarHBondContact O-N 2.95Å; L555-M558 HydrophobicContact CB-CB 4.43Å; L555-M558 WeakPolarHBondContact CB-O 3.34Å; L555-M558 PolarHBondContact N-O 3.44Å; L555-M558 PolarHBondContact O-N 3.31Å; L555-L560 HydrophobicContact CD1-CD1 3.72Å; L555-L560 HydrophobicContact CD1-CG 4.08Å |
| 556 | D | 64 | Low | 77.8 | Confident | 153 Ų | 153 | 56.5 Ų | 56.5 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.7 | -173.8 | -68.6 | -37.9 | 0 | 0 | 0 | 115 | ||
| 557 | S | 58.2 | Low | 77.1 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 87% | 0.867 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -0.8 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | L555 | L555-S557 PolarHBondContact O-N 2.95Š|
| 558 | M | 60.4 | Low | 75.9 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.5 | -172.8 | -160.8 | 175.6 | -165.3 | 0 | 0 | 111.8 | L555 L560 | L555-M558 HydrophobicContact CB-CB 4.43Å; L555-M558 WeakPolarHBondContact CB-O 3.34Å; L555-M558 PolarHBondContact N-O 3.44Å; L555-M558 PolarHBondContact O-N 3.31Å; M558-L560 HydrophobicContact CE-CD2 3.96Å; M558-L560 HydrophobicContact CG-CD2 4.05Å; M558-L560 HydrophobicContact SD-CD2 3.93Å |
| 559 | V | 79.3 | Confident | 74.1 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | V552 R554 T561 | V552-V559 HydrophobicContact CG1-CG1 3.66Å; R554-V559 HydrophobicContact CB-CG2 4.42Å; R554-V559 HydrophobicContact CG-CG1 4.18Å; R554-V559 HydrophobicContact CG-CG2 4.15Å; V559-T561 HydrophobicContact CG1-CG2 4.31Å |
| 560 | L | 78.4 | Confident | 71.9 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141 | 177.8 | -54.3 | 172.6 | 0 | 0 | 0 | 108.5 | I491 V512 V552 A553 L555 M558 | I491-L560 HydrophobicContact CB-CB 3.93Å; I491-L560 HydrophobicContact CB-CD1 4.46Å; I491-L560 HydrophobicContact CD1-CB 3.99Å; I491-L560 HydrophobicContact CG2-CB 3.74Å; V512-L560 HydrophobicContact CG1-CD1 3.63Å; V512-L560 HydrophobicContact CG2-CD1 4.22Å; V552-L560 CarbonylContact C-O 3.57Å; V552-L560 WeakPolarHBondContact CA-O 3.26Å; A553-L560 HydrophobicContact CB-CB 4.47Å; A553-L560 PolarHBondContact N-O 2.81Å; A553-L560 PolarHBondContact O-N 3.16Å; L555-L560 HydrophobicContact CD1-CD1 3.72Å; L555-L560 HydrophobicContact CD1-CG 4.08Å; M558-L560 HydrophobicContact CE-CD2 3.96Å; M558-L560 HydrophobicContact CG-CD2 4.05Å; M558-L560 HydrophobicContact SD-CD2 3.93Å |
| 561 | T | 83 | Confident | 69.3 | Low | 73 Ų | 73 | 66.7 Ų | 66.7 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.8 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | C551 V552 V559 | C551-T561 CarbonylContact O-C 3.58Å; C551-T561 VanDerWaalsContact O-CA 3.32Å; C551-T561 WeakPolarHBondContact O-CA 3.37Å; V552-T561 HydrophobicContact CB-CG2 4.29Å; V552-T561 HydrophobicContact CG1-CG2 4.06Å; V552-T561 HydrophobicContact CG2-CG2 3.92Å; V559-T561 HydrophobicContact CG1-CG2 4.31Å |
| 562 | F | 82 | Confident | 66.9 | Low | 82 Ų | 82 | 72.9 Ų | 72.9 | 36% | 0.36 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.2 | 174.2 | -162.3 | -91.4 | 0 | 0 | 0 | 110.4 | I491 I493 Q550 C551 | I491-F562 HydrophobicContact CD1-CB 4.3Å; I491-F562 HydrophobicContact CG1-CB 4.03Å; I491-F562 HydrophobicContact CG2-CB 4.09Å; I491-F562 WeakPolarHBondContact O-CD2 3.45Å; I493-F562 HydrophobicContact CB-CD1 3.9Å; I493-F562 HydrophobicContact CB-CE1 4.3Å; I493-F562 HydrophobicContact CD1-CD1 3.99Å; I493-F562 HydrophobicContact CG1-CB 4.48Å; I493-F562 HydrophobicContact CG1-CD1 3.83Å; Q550-F562 CarbonylContact C-O 3.49Å; Q550-F562 WeakPolarHBondContact CA-O 3.27Å; C551-F562 PolarHBondContact N-O 3.41Å; C551-F562 PolarHBondContact O-N 3.42Å |
| 563 | N | 82.4 | Confident | 64.6 | Low | 57 Ų | 57 | 75 Ų | 75 | 31% | 0.305 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.4 | -176.9 | -54.7 | -25.8 | 0 | 0 | 0 | 109.5 | R548 Q550 | R548-N563 PolarHBondContact NH2-ND2 2.59Å; Q550-N563 VanDerWaalsContact CB-OD1 3.26Å; Q550-N563 WeakPolarHBondContact CB-OD1 3.05Å; Q550-N563 WeakPolarHBondContact CG-OD1 3.31Å; Q550-N563 PolarHBondContact NE2-OD1 3.2Å |
| 564 | S | 70.3 | Confident | 62.8 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 25% | 0.245 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 152.5 | 167.5 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | R548 Y549 | R548-S564 CarbonylContact C-O 3.48Å; Y549-S564 PolarHBondContact N-O 3.39Å; Y549-S564 PolarHBondContact O-N 2.88Å; Y549-S564 VanDerWaalsContact O-O 3.11Å |
| 565 | T | 77.3 | Confident | 61.9 | Low | 97 Ų | 97 | 75.8 Ų | 75.8 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.2 | 172.3 | -50.2 | 0 | 0 | 0 | 0 | 107.5 | ||
| 566 | I | 72.8 | Confident | 61.9 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.8 | -167.5 | -56.9 | -179.4 | 0 | 0 | 0 | 109.1 | F500 L508 F541 V546 G547 Y549 | F500-I566 HydrophobicContact CE1-CG2 3.92Å; F500-I566 HydrophobicContact CZ-CG2 3.52Å; L508-I566 HydrophobicContact CD1-CD1 3.41Å; L508-I566 VanDerWaalsContact CD1-CD1 3.41Å; L508-I566 HydrophobicContact CD2-CD1 3.48Å; L508-I566 VanDerWaalsContact CD2-CD1 3.48Å; L508-I566 HydrophobicContact CG-CD1 4.08Å; F541-I566 HydrophobicContact CE2-CG2 3.61Å; F541-I566 HydrophobicContact CZ-CG2 3.66Å; V546-I566 WeakPolarHBondContact CA-O 3.42Å; G547-I566 PolarHBondContact N-O 2.79Å; G547-I566 PolarHBondContact O-N 2.72Å; Y549-I566 HydrophobicContact CD1-CD1 4.39Å; Y549-I566 HydrophobicContact CD2-CB 4.34Å; Y549-I566 HydrophobicContact CD2-CD1 3.57Å; Y549-I566 HydrophobicContact CD2-CG1 4.03Å; Y549-I566 HydrophobicContact CE2-CD1 4.05Å; Y549-I566 HydrophobicContact CG-CD1 3.77Å |
| 567 | S | 58.9 | Low | 62.5 | Low | 78 Ų | 78 | 70 Ų | 70 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | trans | -151.4 | 162.9 | -178.8 | 57 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 568 | I | 54.4 | Low | 63.7 | Low | 49 Ų | 49 | 64.7 Ų | 64.7 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | trans | -94.3 | 151.7 | 176.4 | -63.6 | 166.5 | 0 | 0 | 0 | 109.1 | F500 Y502 F541 | F500-I568 HydrophobicContact CD2-CD1 4.37Å; F500-I568 HydrophobicContact CD2-CG1 4.09Å; F500-I568 HydrophobicContact CE2-CD1 4.03Å; F500-I568 HydrophobicContact CE2-CG1 3.54Å; F500-I568 HydrophobicContact CZ-CG1 4.18Å; Y502-I568 HydrophobicContact CD1-CD1 3.55Å; Y502-I568 HydrophobicContact CD2-CD1 3.77Å; Y502-I568 HydrophobicContact CE1-CD1 3.61Å; Y502-I568 HydrophobicContact CE2-CD1 3.85Å; Y502-I568 HydrophobicContact CG-CD1 3.63Å; F541-I568 HydrophobicContact CD1-CD1 4.46Å | ||
| 569 | D | 48 | Very low | 64.3 | Low | 116 Ų | 116 | 66.8 Ų | 66.8 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | trans | -87.3 | 135.4 | -176.7 | 178.8 | 20.6 | 0 | 0 | 0 | 112.7 | G571 | D569-G571 PolarHBondContact OD1-N 2.96Š| ||
| 570 | D | 41.9 | Very low | 63.9 | Low | 167 Ų | 167 | 66 Ų | 66 | 89% | 0.893 | 39% | 0.391 | S | S | * | . | trans | -94.5 | 5.4 | 178.1 | -79.6 | -36.1 | 0 | 0 | 0 | 113.5 | ||||
| 571 | G | 35.2 | Very low | 63.1 | Low | 57 Ų | 57 | 70.4 Ų | 70.4 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | trans | 90.3 | 26.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | D569 G573 | D569-G571 PolarHBondContact OD1-N 2.96Å; G571-G573 VanDerWaalsContact C-N 3.33Å; G571-G573 PolarHBondContact O-N 3.23Å; G571-G573 VanDerWaalsContact O-N 3.07Å | ||
| 572 | T | 38.6 | Very low | 62.2 | Low | 131 Ų | 131 | 70.8 Ų | 70.8 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | trans | -84.7 | 68.2 | 177.6 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | V574 | T572-V574 PolarHBondContact O-N 3.05Š| ||
| 573 | G | 37.1 | Very low | 61.9 | Low | 55 Ų | 55 | 67.2 Ų | 67.2 | 57% | 0.567 | 40% | 0.398 | S | S | * | . | trans | -66.1 | 96.1 | -166 | 0 | 0 | 0 | 0 | 0 | 117.3 | G571 | G571-G573 VanDerWaalsContact C-N 3.33Å; G571-G573 PolarHBondContact O-N 3.23Å; G571-G573 VanDerWaalsContact O-N 3.07Å | ||
| 574 | V | 46.7 | Very low | 61.6 | Low | 94 Ų | 94 | 70.8 Ų | 70.8 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | trans | -139.1 | 102.2 | 159.7 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | T572 I598 | T572-V574 PolarHBondContact O-N 3.05Å; V574-I598 HydrophobicContact CG1-CD1 4.44Å; V574-I598 WeakPolarHBondContact O-CD1 3.36Å | ||
| 575 | D | 61.1 | Low | 62.1 | Low | 22 Ų | 22 | 69.9 Ų | 69.9 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | trans | -112 | -18.7 | -169.7 | -54.8 | -71.4 | 0 | 0 | 0 | 115.5 | I598 R599 L651 N655 | D575-I598 PolarHBondContact O-N 3.08Å; D575-R599 HydrophobicContact CB-CG 4.48Å; D575-R599 IonicContact OD1-CZ 3.27Å; D575-R599 IonicContact OD1-NE 2.99Å; D575-R599 PolarHBondContact OD1-NE 2.82Å; D575-R599 IonicContact OD1-NH2 2.71Å; D575-R599 PolarHBondContact OD1-NH2 2.91Å; D575-R599 IonicContact OD2-CZ 3.51Å; D575-R599 IonicContact OD2-NH2 3.66Å; D575-R599 PolarHBondContact OD2-NH2 2.76Å; D575-L651 HydrophobicContact CB-CD1 4.31Å; D575-N655 PolarHBondContact OD2-ND2 2.83Å; D575-N655 VanDerWaalsContact OD2-ND2 3.17Å | ||
| 576 | L | 70.9 | Confident | 62.3 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.6 | -173.6 | -178.2 | 58.1 | 0 | 0 | 0 | 110.2 | P604 C649 L651 N655 K657 | L576-P604 HydrophobicContact CD1-CB 4.09Å; L576-C649 HydrophobicContact CD2-CB 4.08Å; L576-C649 WeakPolarHBondContact CD2-O 3.28Å; L576-L651 HydrophobicContact CB-CD1 4.18Å; L576-L651 HydrophobicContact CD1-CD1 4.5Å; L576-L651 HydrophobicContact CD1-CG 4.25Å; L576-L651 HydrophobicContact CD2-CG 4.45Å; L576-N655 WeakPolarHBondContact CD2-O 3.3Å; L576-K657 HydrophobicContact CB-CG 4.36Å; L576-K657 HydrophobicContact CD2-CB 4.44Å; L576-K657 HydrophobicContact CD2-CG 4.21Å; L576-K657 HydrophobicContact CG-CG 4.01Å; L576-K657 WeakPolarHBondContact O-CE 3.36Å |
| 577 | I | 76.2 | Confident | 62.7 | Low | 49 Ų | 49 | 68 Ų | 68 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.7 | 172.8 | -68.3 | 171.8 | 0 | 0 | 0 | 108.1 | R579 L596 I598 | I577-R579 HydrophobicContact CG2-CG 3.78Å; I577-L596 HydrophobicContact CB-CB 4.23Å; I577-L596 HydrophobicContact CG2-CB 4.47Å; I577-L596 PolarHBondContact N-O 3.03Å; I577-L596 PolarHBondContact O-N 2.76Å; I577-I598 HydrophobicContact CD1-CD1 3.69Å; I577-I598 HydrophobicContact CD1-CG1 3.78Å; I577-I598 HydrophobicContact CG1-CD1 3.84Å; I577-I598 HydrophobicContact CG1-CG1 3.9Å |
| 578 | M | 82.8 | Confident | 64 | Low | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.059 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.6 | 173.7 | -174.1 | 171.2 | -163.8 | 0 | 0 | 108 | N581 I593 E594 I647 C649 K657 V659 | M578-N581 PolarHBondContact O-N 2.88Å; M578-I593 HydrophobicContact CE-CG2 3.63Å; M578-I593 HydrophobicContact CG-CG2 4.14Å; M578-E594 CarbonylContact C-O 3.56Å; M578-E594 WeakPolarHBondContact CA-O 2.99Å; M578-I647 HydrophobicContact CE-CG2 4.26Å; M578-C649 HydrophobicContact CE-CB 4.32Å; M578-C649 VanDerWaalsContact CE-SG 3.52Å; M578-C649 HydrophobicContact CG-CB 4.46Å; M578-C649 HydrophobicContact SD-CB 4.1Å; M578-K657 HydrophobicContact CB-CB 3.68Å; M578-K657 HydrophobicContact CB-CG 4.09Å; M578-K657 HydrophobicContact CG-CB 4.31Å; M578-K657 HydrophobicContact SD-CB 3.61Å; M578-K657 VanDerWaalsContact SD-O 3.37Å; M578-V659 HydrophobicContact CE-CB 3.51Å; M578-V659 HydrophobicContact CE-CG1 3.33Å; M578-V659 HydrophobicContact SD-CB 4.08Å |
| 579 | R | 74 | Confident | 65.4 | Low | 130 Ų | 130 | 67.4 Ų | 67.4 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.6 | -167.7 | -85.4 | 168.2 | 171 | -177.6 | -0.1 | 111.8 | I577 E594 | I577-R579 HydrophobicContact CG2-CG 3.78Å; R579-E594 HydrophobicContact CB-CB 4.04Å; R579-E594 HydrophobicContact CB-CG 4.36Å; R579-E594 WeakPolarHBondContact CD-OE2 3.33Å; R579-E594 IonicContact CZ-OE2 3.19Å; R579-E594 PolarHBondContact N-O 3.09Å; R579-E594 IonicContact NE-OE2 2.71Å; R579-E594 IonicContact NH1-OE2 3.74Å; R579-E594 PolarHBondContact NH1-OE2 3.42Å; R579-E594 PolarHBondContact O-N 2.8Å |
| 580 | P | 70.6 | Confident | 67.1 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | S | Bend | cis | -63.8 | 158.5 | -18.9 | 33.2 | -38.1 | 0 | 0 | 0 | 110.9 | I582 I583 | P580-I582 WeakPolarHBondContact CB-O 3.28Å; P580-I583 HydrophobicContact CG-CD1 4.03Å; P580-I583 HydrophobicContact CG-CG1 3.49Å; P580-I583 VanDerWaalsContact CG-CG1 3.49Å |
| 581 | N | 60.2 | Low | 69.3 | Low | 110 Ų | 110 | 58.4 Ų | 58.4 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -86.5 | -10.7 | 177.8 | 62.9 | -55.1 | 0 | 0 | 0 | 113.5 | M578 | M578-N581 PolarHBondContact O-N 2.88Š|
| 582 | I | 65.2 | Low | 71.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -140.7 | 138.2 | 169.7 | -59.2 | 179.9 | 0 | 0 | 0 | 106.9 | P580 Y584 Y662 | P580-I582 WeakPolarHBondContact CB-O 3.28Å; I582-Y584 HydrophobicContact CB-CE2 4.48Å; I582-Y584 HydrophobicContact CG2-CD2 3.99Å; I582-Y584 HydrophobicContact CG2-CE2 3.43Å; I582-Y584 VanDerWaalsContact CG2-CE2 3.43Å; I582-Y662 HydrophobicContact CG2-CD2 3.88Å; I582-Y662 HydrophobicContact CG2-CE2 3.85Å |
| 583 | I | 74.6 | Confident | 74.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.1 | 178.2 | -72 | 178.8 | 0 | 0 | 0 | 109.9 | P580 I585 F591 I593 V659 L661 Y662 | P580-I583 HydrophobicContact CG-CD1 4.03Å; P580-I583 HydrophobicContact CG-CG1 3.49Å; P580-I583 VanDerWaalsContact CG-CG1 3.49Å; I583-I585 HydrophobicContact CG2-CB 4.32Å; I583-I585 HydrophobicContact CG2-CD1 3.94Å; I583-I585 HydrophobicContact CG2-CG1 3.9Å; I583-I585 HydrophobicContact CG2-CG2 3.67Å; I583-F591 HydrophobicContact CD1-CD2 3.77Å; I583-F591 HydrophobicContact CD1-CE2 4.19Å; I583-I593 HydrophobicContact CD1-CD1 4.05Å; I583-I593 HydrophobicContact CD1-CG1 3.45Å; I583-I593 VanDerWaalsContact CD1-CG1 3.45Å; I583-V659 HydrophobicContact CB-CG2 4.39Å; I583-V659 HydrophobicContact CD1-CG2 4.34Å; I583-V659 HydrophobicContact CG1-CG2 4.03Å; I583-L661 HydrophobicContact CB-CD2 3.84Å; I583-L661 HydrophobicContact CD1-CD2 3.72Å; I583-L661 HydrophobicContact CG1-CD2 4.26Å; I583-L661 HydrophobicContact CG2-CD2 3.99Å; I583-Y662 WeakPolarHBondContact O-CB 3.28Å; I583-Y662 PolarHBondContact O-N 3.11Å |
| 584 | Y | 77.2 | Confident | 76.3 | Confident | 133 Ų | 133 | 52.4 Ų | 52.4 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.1 | 165.8 | -63.2 | -81.5 | 0 | 0 | 0 | 108.1 | I582 Y662 | I582-Y584 HydrophobicContact CB-CE2 4.48Å; I582-Y584 HydrophobicContact CG2-CD2 3.99Å; I582-Y584 HydrophobicContact CG2-CE2 3.43Å; I582-Y584 VanDerWaalsContact CG2-CE2 3.43Å; Y584-Y662 WeakPolarHBondContact CA-O 3.01Å; Y584-Y662 VanDerWaalsContact CD1-CB 3.44Å; Y584-Y662 AromaticContact CD1-CD2 3.98Å; Y584-Y662 HydrophobicContact CD1-CD2 3.98Å; Y584-Y662 AromaticContact CD1-CG 3.97Å; Y584-Y662 HydrophobicContact CD1-CG 3.97Å; Y584-Y662 AromaticContact CE1-CD2 3.54Å; Y584-Y662 HydrophobicContact CE1-CD2 3.54Å; Y584-Y662 HydrophobicContact CE1-CE2 4.41Å; Y584-Y662 AromaticContact CE1-CG 3.72Å; Y584-Y662 HydrophobicContact CE1-CG 3.72Å; Y584-Y662 AromaticContact CZ-CD2 3.91Å |
| 585 | I | 81.1 | Confident | 78.3 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.5 | -175.1 | 49.9 | 178 | 0 | 0 | 0 | 111.3 | I583 F591 Y662 I663 M664 | I583-I585 HydrophobicContact CG2-CB 4.32Å; I583-I585 HydrophobicContact CG2-CD1 3.94Å; I583-I585 HydrophobicContact CG2-CG1 3.9Å; I583-I585 HydrophobicContact CG2-CG2 3.67Å; I585-F591 HydrophobicContact CD1-CB 4.47Å; I585-F591 HydrophobicContact CD1-CD1 3.24Å; I585-F591 HydrophobicContact CD1-CE1 3.5Å; I585-F591 HydrophobicContact CD1-CG 3.95Å; I585-F591 HydrophobicContact CD1-CZ 4.39Å; I585-F591 HydrophobicContact CG2-CB 4.29Å; I585-Y662 PolarHBondContact N-O 2.95Å; I585-I663 HydrophobicContact CD1-CG1 4.26Å; I585-I663 HydrophobicContact CG1-CG1 4.19Å; I585-I663 CarbonylContact O-C 3.43Å; I585-I663 WeakPolarHBondContact O-CA 2.92Å; I585-M664 PolarHBondContact O-N 2.8Å |
| 586 | P | 80.9 | Confident | 79.1 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 155 | 165.6 | -17.5 | 30 | 0 | 0 | 0 | 112.2 | H589 M664 | P586-H589 HydrophobicContact CB-CB 4.08Å; P586-H589 HydrophobicContact CG-CB 4.15Å; P586-H589 VanDerWaalsContact O-CB 3.26Å; P586-H589 WeakPolarHBondContact O-CB 3.38Å; P586-H589 PolarHBondContact O-N 3.15Å; P586-M664 CarbonylContact C-O 3.33Å; P586-M664 WeakPolarHBondContact CA-O 3.06Å |
| 587 | A | 82.2 | Confident | 79.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 138.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | H589 L638 I663 M664 Q673 | A587-H589 PolarHBondContact O-N 2.84Å; A587-L638 WeakPolarHBondContact CA-O 3.46Å; A587-I663 HydrophobicContact CB-CG2 4.1Å; A587-M664 PolarHBondContact N-O 2.91Å; A587-Q673 HydrophobicContact CB-CB 4.23Å; A587-Q673 PolarHBondContact O-NE2 3.29Å |
| 588 | F | 85.4 | Confident | 78.6 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.6 | -173.3 | -60.8 | -81.9 | 0 | 0 | 0 | 114.4 | L638 Q673 R675 F702 | F588-L638 PolarHBondContact N-O 2.93Å; F588-Q673 WeakPolarHBondContact CE2-O 3.05Å; F588-R675 HydrophobicContact CB-CG 4.48Å; F588-R675 HydrophobicContact CD1-CB 3.96Å; F588-R675 HydrophobicContact CD1-CG 3.9Å; F588-R675 HydrophobicContact CD2-CB 4.26Å; F588-R675 HydrophobicContact CE1-CB 4.09Å; F588-R675 HydrophobicContact CE1-CG 4.36Å; F588-R675 HydrophobicContact CE2-CB 4.38Å; F588-R675 HydrophobicContact CG-CB 4.04Å; F588-R675 HydrophobicContact CG-CG 4.15Å; F588-R675 HydrophobicContact CZ-CB 4.3Å; F588-F702 HydrophobicContact CE2-CE2 4.06Å; F588-F702 AromaticContact CE2-CZ 3.88Å; F588-F702 HydrophobicContact CE2-CZ 3.88Å; F588-F702 HydrophobicContact CZ-CD2 4.42Å; F588-F702 AromaticContact CZ-CE2 3.58Å; F588-F702 HydrophobicContact CZ-CE2 3.58Å; F588-F702 AromaticContact CZ-CZ 3.87Å; F588-F702 HydrophobicContact CZ-CZ 3.87Å |
| 589 | H | 83 | Confident | 77.3 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 39% | 0.394 | 26% | 0.258 | S | S | . | . | trans | -100.8 | 127.3 | 169.8 | -143.4 | 75.3 | 0 | 0 | 0 | 111.6 | P586 A587 G637 | P586-H589 HydrophobicContact CB-CB 4.08Å; P586-H589 HydrophobicContact CG-CB 4.15Å; P586-H589 VanDerWaalsContact O-CB 3.26Å; P586-H589 WeakPolarHBondContact O-CB 3.38Å; P586-H589 PolarHBondContact O-N 3.15Å; A587-H589 PolarHBondContact O-N 2.84Å; H589-G637 WeakPolarHBondContact O-CA 3.41Å | ||
| 590 | P | 83.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | trans | -64.2 | 148.1 | 177.6 | -21.2 | 33.5 | 0 | 0 | 0 | 112.4 | A634 T635 | P590-A634 WeakPolarHBondContact CA-O 3.11Å; P590-T635 WeakPolarHBondContact CB-O 3.26Å; P590-T635 WeakPolarHBondContact CG-O 3.26Å | ||
| 591 | F | 87.9 | Confident | 75.9 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.101 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 162.6 | 177.1 | 67.7 | -87.6 | 0 | 0 | 0 | 112.8 | I583 I585 I593 F620 K633 A634 L638 L661 | I583-F591 HydrophobicContact CD1-CD2 3.77Å; I583-F591 HydrophobicContact CD1-CE2 4.19Å; I585-F591 HydrophobicContact CD1-CB 4.47Å; I585-F591 HydrophobicContact CD1-CD1 3.24Å; I585-F591 HydrophobicContact CD1-CE1 3.5Å; I585-F591 HydrophobicContact CD1-CG 3.95Å; I585-F591 HydrophobicContact CD1-CZ 4.39Å; I585-F591 HydrophobicContact CG2-CB 4.29Å; F591-I593 HydrophobicContact CD2-CG1 4.46Å; F591-I593 HydrophobicContact CE2-CD1 4.1Å; F591-I593 HydrophobicContact CE2-CG1 4.46Å; F591-F620 HydrophobicContact CZ-CE1 4.06Å; F591-K633 WeakPolarHBondContact O-CA 3.22Å; F591-A634 HydrophobicContact CD1-CB 3.96Å; F591-A634 HydrophobicContact CE1-CB 3.47Å; F591-A634 VanDerWaalsContact CE1-CB 3.47Å; F591-A634 HydrophobicContact CE2-CB 4.34Å; F591-A634 HydrophobicContact CZ-CB 3.68Å; F591-A634 PolarHBondContact N-O 3.17Å; F591-A634 PolarHBondContact O-N 2.77Å; F591-L638 HydrophobicContact CE1-CD1 3.92Å; F591-L638 HydrophobicContact CE1-CG 4.16Å; F591-L638 HydrophobicContact CZ-CD1 3.93Å; F591-L661 HydrophobicContact CE1-CD1 4.48Å; F591-L661 HydrophobicContact CE2-CD1 4.12Å; F591-L661 HydrophobicContact CE2-CD2 3.8Å; F591-L661 HydrophobicContact CZ-CD1 3.6Å; F591-L661 HydrophobicContact CZ-CD2 4.04Å; F591-L661 HydrophobicContact CZ-CG 4.48Å |
| 592 | E | 87 | Confident | 75.6 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.5 | 171.4 | 63.9 | -180 | -136.3 | 0 | 0 | 113.1 | I631 I632 K633 | E592-I631 HydrophobicContact CB-CG2 3.91Å; E592-I631 HydrophobicContact CG-CG2 4.4Å; E592-I632 CarbonylContact C-O 3.48Å; E592-I632 WeakPolarHBondContact CA-O 3.16Å; E592-I632 WeakPolarHBondContact CB-O 3.25Å; E592-K633 HydrophobicContact CB-CB 4.38Å; E592-K633 HydrophobicContact CB-CD 4.33Å; E592-K633 HydrophobicContact CB-CG 3.87Å; E592-K633 WeakPolarHBondContact OE2-CE 3.49Å; E592-K633 IonicContact OE2-NZ 3.71Å; E592-K633 PolarHBondContact OE2-NZ 2.98Å |
| 593 | I | 88.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120 | 177.5 | -61.4 | 156 | 0 | 0 | 0 | 108 | M578 I583 F591 I631 I632 I647 V659 L661 | M578-I593 HydrophobicContact CE-CG2 3.63Å; M578-I593 HydrophobicContact CG-CG2 4.14Å; I583-I593 HydrophobicContact CD1-CD1 4.05Å; I583-I593 HydrophobicContact CD1-CG1 3.45Å; I583-I593 VanDerWaalsContact CD1-CG1 3.45Å; F591-I593 HydrophobicContact CD2-CG1 4.46Å; F591-I593 HydrophobicContact CE2-CD1 4.1Å; F591-I593 HydrophobicContact CE2-CG1 4.46Å; I593-I631 CarbonylContact O-C 3.6Å; I593-I631 VanDerWaalsContact O-CA 3.28Å; I593-I631 WeakPolarHBondContact O-CA 2.97Å; I593-I632 HydrophobicContact CB-CB 4.25Å; I593-I632 HydrophobicContact CB-CD1 4.24Å; I593-I632 HydrophobicContact CB-CG1 4.46Å; I593-I632 HydrophobicContact CD1-CD1 4.26Å; I593-I632 HydrophobicContact CG2-CD1 4.23Å; I593-I632 PolarHBondContact N-O 3.15Å; I593-I632 PolarHBondContact O-N 3.3Å; I593-I647 HydrophobicContact CD1-CB 4.41Å; I593-I647 HydrophobicContact CD1-CD1 3.89Å; I593-I647 HydrophobicContact CD1-CG2 4.02Å; I593-V659 HydrophobicContact CD1-CG1 3.81Å; I593-V659 HydrophobicContact CG1-CG1 4.4Å; I593-L661 HydrophobicContact CD1-CD2 4.47Å |
| 594 | E | 83.8 | Confident | 76.1 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.6 | 170.6 | 166.4 | 176 | -86.7 | 0 | 0 | 110.3 | M578 R579 L596 R629 | M578-E594 CarbonylContact C-O 3.56Å; M578-E594 WeakPolarHBondContact CA-O 2.99Å; R579-E594 HydrophobicContact CB-CB 4.04Å; R579-E594 HydrophobicContact CB-CG 4.36Å; R579-E594 WeakPolarHBondContact CD-OE2 3.33Å; R579-E594 IonicContact CZ-OE2 3.19Å; R579-E594 PolarHBondContact N-O 3.09Å; R579-E594 IonicContact NE-OE2 2.71Å; R579-E594 IonicContact NH1-OE2 3.74Å; R579-E594 PolarHBondContact NH1-OE2 3.42Å; R579-E594 PolarHBondContact O-N 2.8Å; E594-L596 HydrophobicContact CG-CB 4.24Å; E594-R629 IonicContact OE1-CZ 3.63Å; E594-R629 IonicContact OE1-NE 2.72Å; E594-R629 PolarHBondContact OE1-NE 3.02Å; E594-R629 IonicContact OE1-NH2 2.71Å; E594-R629 PolarHBondContact OE1-NH2 3.28Å |
| 595 | C | 88.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.4 | 158.8 | -50.5 | 0 | 0 | 0 | 0 | 108.6 | P604 R629 L630 C649 | C595-P604 HydrophobicContact CB-CB 3.73Å; C595-P604 HydrophobicContact CB-CG 3.63Å; C595-R629 WeakPolarHBondContact O-CA 3.47Å; C595-L630 HydrophobicContact CB-CB 4.17Å; C595-L630 PolarHBondContact N-O 3.05Å; C595-L630 PolarHBondContact O-N 2.91Å; C595-C649 VanDerWaalsContact CA-SG 3.5Å; C595-C649 HydrophobicContact CB-CB 3.73Å; C595-C649 WeakPolarHBondContact CB-SG 3.34Å; C595-C649 WeakPolarHBondContact SG-CB 3.43Å; C595-C649 CovalentContact SG-SG 2.02Å; C595-C649 PolarHBondContact SG-SG 2.03Å |
| 596 | L | 76.9 | Confident | 76.5 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 112.3 | 179.3 | -176.6 | 74.3 | 0 | 0 | 0 | 110.6 | I577 E594 Q628 R629 | I577-L596 HydrophobicContact CB-CB 4.23Å; I577-L596 HydrophobicContact CG2-CB 4.47Å; I577-L596 PolarHBondContact N-O 3.03Å; I577-L596 PolarHBondContact O-N 2.76Å; E594-L596 HydrophobicContact CG-CB 4.24Å; L596-Q628 WeakPolarHBondContact CA-O 3.46Å; L596-R629 HydrophobicContact CD1-CB 4.25Å; L596-R629 HydrophobicContact CD1-CG 4.33Å |
| 597 | S | 72.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.6 | 166.9 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | R599 L602 Q628 | S597-R599 VanDerWaalsContact C-N 3.33Å; S597-R599 PolarHBondContact OG-N 2.79Å; S597-R599 PolarHBondContact OG-O 3.31Å; S597-L602 WeakPolarHBondContact CB-O 3.45Å; S597-L602 PolarHBondContact OG-O 3.17Å; S597-Q628 PolarHBondContact N-O 3.17Å; S597-Q628 PolarHBondContact O-NE2 2.66Å |
| 598 | I | 64.6 | Low | 76.5 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 45% | 0.451 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -79.1 | -22.8 | 170.3 | -23.2 | -178.7 | 0 | 0 | 0 | 111 | V574 D575 I577 | V574-I598 HydrophobicContact CG1-CD1 4.44Å; V574-I598 WeakPolarHBondContact O-CD1 3.36Å; D575-I598 PolarHBondContact O-N 3.08Å; I577-I598 HydrophobicContact CD1-CD1 3.69Å; I577-I598 HydrophobicContact CD1-CG1 3.78Å; I577-I598 HydrophobicContact CG1-CD1 3.84Å; I577-I598 HydrophobicContact CG1-CG1 3.9Å |
| 599 | R | 56.9 | Low | 75.6 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -77.3 | 122.2 | 173 | -60 | -167.2 | -166.1 | 174.1 | 9.8 | 110.4 | Y499 D575 S597 L602 Q628 | Y499-R599 VanDerWaalsContact CZ-NH1 3.31Å; Y499-R599 PolarHBondContact OH-NH1 2Å; D575-R599 HydrophobicContact CB-CG 4.48Å; D575-R599 IonicContact OD1-CZ 3.27Å; D575-R599 IonicContact OD1-NE 2.99Å; D575-R599 PolarHBondContact OD1-NE 2.82Å; D575-R599 IonicContact OD1-NH2 2.71Å; D575-R599 PolarHBondContact OD1-NH2 2.91Å; D575-R599 IonicContact OD2-CZ 3.51Å; D575-R599 IonicContact OD2-NH2 3.66Å; D575-R599 PolarHBondContact OD2-NH2 2.76Å; S597-R599 VanDerWaalsContact C-N 3.33Å; S597-R599 PolarHBondContact OG-N 2.79Å; S597-R599 PolarHBondContact OG-O 3.31Å; R599-L602 HydrophobicContact CB-CD1 3.97Å; R599-Q628 PolarHBondContact O-NE2 2.91Å |
| 600 | T | 55.7 | Low | 74.7 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 73% | 0.73 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 132.3 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 601 | G | 59.2 | Low | 73.7 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 10.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 602 | L | 54.2 | Low | 72.7 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | trans | -117.6 | 118.8 | 174.2 | -70 | 175.8 | 0 | 0 | 0 | 111.7 | S597 R599 E627 L651 L654 | S597-L602 WeakPolarHBondContact CB-O 3.45Å; S597-L602 PolarHBondContact OG-O 3.17Å; R599-L602 HydrophobicContact CB-CD1 3.97Å; L602-E627 CarbonylContact C-O 3.58Å; L602-E627 VanDerWaalsContact C-O 3.23Å; L602-L651 HydrophobicContact CB-CD2 3.91Å; L602-L654 HydrophobicContact CD1-CD1 3.89Å | ||
| 603 | S | 69.8 | Low | 72 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | trans | -87.4 | 125.7 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | E627 | S603-E627 WeakPolarHBondContact CA-O 3.34Å; S603-E627 WeakPolarHBondContact CB-O 3.16Å; S603-E627 PolarHBondContact N-O 2.82Å; S603-E627 VanDerWaalsContact N-O 3.16Å; S603-E627 PolarHBondContact OG-O 2.04Å | ||
| 604 | P | 80.5 | Confident | 71.4 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | trans | -72.3 | 150.4 | 169.2 | 29.7 | -32.3 | 0 | 0 | 0 | 111.4 | L576 C595 Q628 L630 M650 L651 | L576-P604 HydrophobicContact CD1-CB 4.09Å; C595-P604 HydrophobicContact CB-CB 3.73Å; C595-P604 HydrophobicContact CB-CG 3.63Å; P604-Q628 WeakPolarHBondContact CD-O 3.43Å; P604-L630 HydrophobicContact CG-CB 4.03Å; P604-L630 WeakPolarHBondContact O-CD1 3.27Å; P604-M650 WeakPolarHBondContact CA-O 3.3Å; P604-L651 HydrophobicContact CB-CD2 4.36Å | ||
| 605 | I | 82.8 | Confident | 70.8 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 164.5 | 171.5 | 65.3 | 176.4 | 0 | 0 | 0 | 110.1 | M650 P652 | I605-M650 HydrophobicContact CD1-CE 4.42Å; I605-M650 HydrophobicContact CD1-CG 3.98Å; I605-M650 HydrophobicContact CD1-SD 4.08Å; I605-M650 HydrophobicContact CG1-CG 3.4Å; I605-M650 HydrophobicContact CG1-SD 4.11Å; I605-M650 PolarHBondContact N-O 2.87Å; I605-M650 PolarHBondContact O-N 2.96Å; I605-P652 HydrophobicContact CD1-CG 4.47Å |
| 606 | A | 84 | Confident | 69.6 | Low | 13 Ų | 13 | 50 Ų | 50 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I614 L630 I632 R648 | A606-I614 HydrophobicContact CB-CD1 3.97Å; A606-L630 HydrophobicContact CB-CD1 4.44Å; A606-L630 HydrophobicContact CB-CD2 3.96Å; A606-I632 HydrophobicContact CB-CD1 3.54Å; A606-I632 HydrophobicContact CB-CG1 3.99Å; A606-R648 VanDerWaalsContact CA-O 3.3Å; A606-R648 WeakPolarHBondContact CA-O 3.49Å |
| 607 | I | 82 | Confident | 69.2 | Low | 35 Ų | 35 | 49.6 Ų | 49.6 | 18% | 0.179 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.6 | -178.2 | 58.1 | 176.6 | 0 | 0 | 0 | 110.8 | R648 M650 | I607-R648 HydrophobicContact CG1-CB 3.92Å; I607-R648 PolarHBondContact N-O 2.87Å; I607-R648 VanDerWaalsContact N-O 3.1Å; I607-R648 PolarHBondContact O-N 2.79Å; I607-M650 HydrophobicContact CD1-SD 3.57Å; I607-M650 VanDerWaalsContact CD1-SD 3.57Å; I607-M650 HydrophobicContact CG1-SD 4.19Å |
| 608 | F | 80.1 | Confident | 69.1 | Low | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 163.6 | 167.4 | -68.7 | -62.5 | 0 | 0 | 0 | 111.5 | N610 G611 A612 I614 D617 F620 L645 I647 | F608-N610 WeakPolarHBondContact CB-OD1 3.46Å; F608-N610 PolarHBondContact O-N 2.85Å; F608-N610 VanDerWaalsContact O-N 3.12Å; F608-G611 PolarHBondContact O-N 3.06Å; F608-A612 HydrophobicContact CB-CB 4.48Å; F608-A612 HydrophobicContact CD2-CB 4.15Å; F608-A612 PolarHBondContact N-O 3.22Å; F608-I614 HydrophobicContact CD1-CG1 4.01Å; F608-I614 HydrophobicContact CD2-CG1 3.98Å; F608-I614 HydrophobicContact CE1-CG1 3.99Å; F608-I614 HydrophobicContact CE2-CB 4.3Å; F608-I614 HydrophobicContact CE2-CG1 3.99Å; F608-I614 HydrophobicContact CG-CG1 4Å; F608-I614 HydrophobicContact CZ-CB 4.35Å; F608-I614 HydrophobicContact CZ-CG1 3.99Å; F608-I614 HydrophobicContact CZ-CG2 4.3Å; F608-D617 HydrophobicContact CE2-CB 3.98Å; F608-D617 HydrophobicContact CZ-CB 3.92Å; F608-F620 HydrophobicContact CE1-CD2 4.19Å; F608-F620 AromaticContact CE1-CE2 3.67Å; F608-F620 HydrophobicContact CE1-CE2 3.67Å; F608-F620 HydrophobicContact CE1-CZ 4.06Å; F608-F620 AromaticContact CZ-CD2 3.8Å; F608-F620 HydrophobicContact CZ-CD2 3.8Å; F608-F620 AromaticContact CZ-CE2 3.63Å; F608-F620 HydrophobicContact CZ-CE2 3.63Å; F608-F620 HydrophobicContact CZ-CZ 4.46Å; F608-L645 HydrophobicContact CD1-CD1 4.13Å; F608-L645 HydrophobicContact CE1-CD1 4.41Å; F608-L645 HydrophobicContact CE1-CD2 4.27Å; F608-I647 HydrophobicContact CD1-CG1 4.04Å; F608-I647 HydrophobicContact CE1-CG1 4.27Å |
| 609 | G | 66 | Low | 69.8 | Low | 12 Ų | 12 | 56 Ų | 56 | 12% | 0.124 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R646 R648 S787 | G609-R646 PolarHBondContact N-O 3.34Å; G609-R648 PolarHBondContact O-NH1 3.33Å; G609-R648 PolarHBondContact O-NH2 2.85Å; G609-R648 VanDerWaalsContact O-NH2 3.07Å; G609-S787 PolarHBondContact N-OG 2.71Å |
| 610 | N | 63.6 | Low | 71.1 | Confident | 66 Ų | 66 | 54 Ų | 54 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 9.7 | 173 | 70.3 | -41.4 | 0 | 0 | 0 | 114.1 | F608 A612 D785 S787 | F608-N610 WeakPolarHBondContact CB-OD1 3.46Å; F608-N610 PolarHBondContact O-N 2.85Å; F608-N610 VanDerWaalsContact O-N 3.12Å; N610-A612 PolarHBondContact O-N 3.29Å; N610-D785 PolarHBondContact ND2-O 3.09Å; N610-S787 PolarHBondContact N-OG 2.9Å; N610-S787 PolarHBondContact OD1-OG 3.28Å |
| 611 | G | 63.9 | Low | 72.3 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 87.5 | -8.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F608 | F608-G611 PolarHBondContact O-N 3.06Š|
| 612 | A | 66.8 | Low | 73.4 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | trans | -64 | 140 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F608 N610 | F608-A612 HydrophobicContact CB-CB 4.48Å; F608-A612 HydrophobicContact CD2-CB 4.15Å; F608-A612 PolarHBondContact N-O 3.22Å; N610-A612 PolarHBondContact O-N 3.29Å | ||
| 613 | P | 72.5 | Confident | 74.7 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 133.3 | 177.7 | 29.2 | -34.3 | 0 | 0 | 0 | 110.5 | E615 S616 | P613-E615 PolarHBondContact O-N 3.09Å; P613-S616 PolarHBondContact O-N 3.43Å; P613-S616 PolarHBondContact O-OG 2.93Å; P613-S616 VanDerWaalsContact O-OG 3.08Å |
| 614 | I | 75.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -64.6 | -24.5 | -179.2 | -68.4 | 173.6 | 0 | 0 | 0 | 111.9 | A606 F608 S616 D617 F620 I622 I632 I647 | A606-I614 HydrophobicContact CB-CD1 3.97Å; F608-I614 HydrophobicContact CD1-CG1 4.01Å; F608-I614 HydrophobicContact CD2-CG1 3.98Å; F608-I614 HydrophobicContact CE1-CG1 3.99Å; F608-I614 HydrophobicContact CE2-CB 4.3Å; F608-I614 HydrophobicContact CE2-CG1 3.99Å; F608-I614 HydrophobicContact CG-CG1 4Å; F608-I614 HydrophobicContact CZ-CB 4.35Å; F608-I614 HydrophobicContact CZ-CG1 3.99Å; F608-I614 HydrophobicContact CZ-CG2 4.3Å; I614-S616 PolarHBondContact O-N 2.68Å; I614-S616 VanDerWaalsContact O-N 3.12Å; I614-D617 PolarHBondContact O-N 3.2Å; I614-D617 VanDerWaalsContact O-N 3.14Å; I614-F620 HydrophobicContact CG2-CB 3.49Å; I614-F620 VanDerWaalsContact CG2-CB 3.49Å; I614-F620 HydrophobicContact CG2-CD1 4.46Å; I614-F620 HydrophobicContact CG2-CD2 4.24Å; I614-F620 HydrophobicContact CG2-CG 3.84Å; I614-I622 HydrophobicContact CB-CD1 4.11Å; I614-I622 HydrophobicContact CG2-CD1 4.08Å; I614-I632 HydrophobicContact CD1-CD1 4.14Å; I614-I632 HydrophobicContact CG2-CG2 4.22Å; I614-I647 HydrophobicContact CD1-CB 4.47Å; I614-I647 HydrophobicContact CD1-CD1 4.41Å; I614-I647 HydrophobicContact CD1-CG1 4.07Å; I614-I647 HydrophobicContact CD1-CG2 3.79Å |
| 615 | E | 70.3 | Confident | 74.8 | Confident | 146 Ų | 146 | 58.3 Ų | 58.3 | 68% | 0.682 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -64.9 | -10.1 | 178.4 | -60.7 | 174.2 | 170.8 | 0 | 0 | 113.8 | P613 I622 | P613-E615 PolarHBondContact O-N 3.09Å; E615-I622 HydrophobicContact CG-CD1 3.9Å |
| 616 | S | 63.2 | Low | 74.4 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -89.1 | 1.3 | 173.3 | 73.6 | 0 | 0 | 0 | 0 | 114.5 | P613 I614 | P613-S616 PolarHBondContact O-N 3.43Å; P613-S616 PolarHBondContact O-OG 2.93Å; P613-S616 VanDerWaalsContact O-OG 3.08Å; I614-S616 PolarHBondContact O-N 2.68Å; I614-S616 VanDerWaalsContact O-N 3.12Å |
| 617 | D | 69.6 | Low | 73.5 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | trans | -123.9 | 101.3 | -177.4 | -174.9 | -1.6 | 0 | 0 | 0 | 110.9 | F608 I614 R619 F620 | F608-D617 HydrophobicContact CE2-CB 3.98Å; F608-D617 HydrophobicContact CZ-CB 3.92Å; I614-D617 PolarHBondContact O-N 3.2Å; I614-D617 VanDerWaalsContact O-N 3.14Å; D617-R619 VanDerWaalsContact CG-NH2 3.34Å; D617-R619 PolarHBondContact O-N 3.35Å; D617-R619 IonicContact OD1-CZ 3.83Å; D617-R619 PolarHBondContact OD1-N 3.38Å; D617-R619 IonicContact OD1-NE 2.68Å; D617-R619 PolarHBondContact OD1-NE 2.77Å; D617-R619 IonicContact OD1-NH2 2.72Å; D617-R619 PolarHBondContact OD1-NH2 2.82Å; D617-R619 IonicContact OD2-CZ 2.69Å; D617-R619 IonicContact OD2-NE 3.12Å; D617-R619 PolarHBondContact OD2-NE 3.04Å; D617-R619 IonicContact OD2-NH1 2.9Å; D617-R619 IonicContact OD2-NH2 3.22Å; D617-R619 PolarHBondContact OD2-NH2 3.46Å; D617-F620 HydrophobicContact CB-CD2 4.22Å; D617-F620 PolarHBondContact O-N 3.5Å | ||
| 618 | N | 70.8 | Confident | 73.2 | Confident | 162 Ų | 162 | 65.9 Ų | 65.9 | 87% | 0.866 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -5.8 | -173.7 | -60.3 | 1.4 | 0 | 0 | 0 | 115.3 | F620 | N618-F620 VanDerWaalsContact C-N 3.32Š|
| 619 | R | 78.3 | Confident | 73.3 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.5 | 173.9 | -63.9 | 173.7 | -68.7 | 138.4 | -13.3 | 113.2 | D617 L638 | D617-R619 VanDerWaalsContact CG-NH2 3.34Å; D617-R619 PolarHBondContact O-N 3.35Å; D617-R619 IonicContact OD1-CZ 3.83Å; D617-R619 PolarHBondContact OD1-N 3.38Å; D617-R619 IonicContact OD1-NE 2.68Å; D617-R619 PolarHBondContact OD1-NE 2.77Å; D617-R619 IonicContact OD1-NH2 2.72Å; D617-R619 PolarHBondContact OD1-NH2 2.82Å; D617-R619 IonicContact OD2-CZ 2.69Å; D617-R619 IonicContact OD2-NE 3.12Å; D617-R619 PolarHBondContact OD2-NE 3.04Å; D617-R619 IonicContact OD2-NH1 2.9Å; D617-R619 IonicContact OD2-NH2 3.22Å; D617-R619 PolarHBondContact OD2-NH2 3.46Å; R619-L638 HydrophobicContact CB-CD2 4.4Å |
| 620 | F | 84.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | trans | -117.7 | 146.7 | 178.1 | -63.1 | -86.6 | 0 | 0 | 0 | 111.7 | F591 F608 I614 D617 N618 I632 K633 A634 L638 L645 I647 | F591-F620 HydrophobicContact CZ-CE1 4.06Å; F608-F620 HydrophobicContact CE1-CD2 4.19Å; F608-F620 AromaticContact CE1-CE2 3.67Å; F608-F620 HydrophobicContact CE1-CE2 3.67Å; F608-F620 HydrophobicContact CE1-CZ 4.06Å; F608-F620 AromaticContact CZ-CD2 3.8Å; F608-F620 HydrophobicContact CZ-CD2 3.8Å; F608-F620 AromaticContact CZ-CE2 3.63Å; F608-F620 HydrophobicContact CZ-CE2 3.63Å; F608-F620 HydrophobicContact CZ-CZ 4.46Å; I614-F620 HydrophobicContact CG2-CB 3.49Å; I614-F620 VanDerWaalsContact CG2-CB 3.49Å; I614-F620 HydrophobicContact CG2-CD1 4.46Å; I614-F620 HydrophobicContact CG2-CD2 4.24Å; I614-F620 HydrophobicContact CG2-CG 3.84Å; D617-F620 HydrophobicContact CB-CD2 4.22Å; D617-F620 PolarHBondContact O-N 3.5Å; N618-F620 VanDerWaalsContact C-N 3.32Å; F620-I632 HydrophobicContact CD1-CG2 4.11Å; F620-K633 CarbonylContact C-O 3.56Å; F620-K633 WeakPolarHBondContact CA-O 3.26Å; F620-A634 HydrophobicContact CD1-CB 4.22Å; F620-A634 HydrophobicContact CE1-CB 4.25Å; F620-L638 HydrophobicContact CE1-CD1 4.38Å; F620-L638 HydrophobicContact CZ-CD1 3.91Å; F620-L645 HydrophobicContact CE2-CD2 4.39Å; F620-L645 HydrophobicContact CZ-CD2 3.97Å; F620-I647 HydrophobicContact CD1-CD1 4.44Å; F620-I647 HydrophobicContact CE1-CD1 3.72Å; F620-I647 HydrophobicContact CZ-CD1 4.08Å | ||
| 621 | T | 80.8 | Confident | 75.4 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.2 | 172.3 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | I632 K633 | T621-I632 CarbonylContact O-C 3.56Å; T621-I632 WeakPolarHBondContact O-CA 3.31Å; T621-K633 PolarHBondContact N-O 2.76Å; T621-K633 PolarHBondContact O-N 3.18Å; T621-K633 PolarHBondContact OG1-O 3.28Å |
| 622 | I | 82.4 | Confident | 76.6 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.6 | -178.1 | -65.9 | 175.7 | 0 | 0 | 0 | 109.7 | I614 E615 L630 I631 I632 | I614-I622 HydrophobicContact CB-CD1 4.11Å; I614-I622 HydrophobicContact CG2-CD1 4.08Å; E615-I622 HydrophobicContact CG-CD1 3.9Å; I622-L630 HydrophobicContact CG2-CD1 3.98Å; I622-L630 HydrophobicContact CG2-CD2 3.97Å; I622-L630 HydrophobicContact CG2-CG 3.85Å; I622-I631 WeakPolarHBondContact CA-O 3.48Å; I622-I632 HydrophobicContact CG1-CG2 4.28Å |
| 623 | T | 82.1 | Confident | 77.5 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.3 | 174.4 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | L630 I631 | T623-L630 CarbonylContact O-C 3.41Å; T623-L630 WeakPolarHBondContact O-CA 3.27Å; T623-I631 PolarHBondContact N-O 3.32Å; T623-I631 PolarHBondContact O-N 2.92Å; T623-I631 PolarHBondContact OG1-O 3.18Å |
| 624 | K | 77 | Confident | 78.1 | Confident | 129 Ų | 129 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 86.5 | -178.6 | -64.6 | 176.4 | -174.3 | 170.8 | 0 | 109.9 | N626 R629 L630 | K624-N626 VanDerWaalsContact C-N 3.3Å; K624-N626 PolarHBondContact O-N 2.93Å; K624-R629 CarbonylContact C-O 3.23Å; K624-R629 WeakPolarHBondContact CA-O 3.09Å; K624-L630 HydrophobicContact CG-CB 4.42Å; K624-L630 HydrophobicContact CG-CD1 4.26Å; K624-L630 HydrophobicContact CG-CG 4.19Å |
| 625 | P | 74.4 | Confident | 78.3 | Confident | 67 Ų | 67 | 66 Ų | 66 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -20.4 | -171.1 | -22.2 | 34.6 | 0 | 0 | 0 | 115.3 | R629 I631 | P625-R629 WeakPolarHBondContact CD-O 3.33Å; P625-R629 HydrophobicContact CG-CG 4.45Å; P625-I631 HydrophobicContact CG-CD1 3.75Å; P625-I631 HydrophobicContact CG-CG1 4.1Å |
| 626 | N | 74 | Confident | 78.6 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 174.2 | 170.2 | 64.2 | 47.5 | 0 | 0 | 0 | 110.1 | K624 Q628 R629 | K624-N626 VanDerWaalsContact C-N 3.3Å; K624-N626 PolarHBondContact O-N 2.93Å; N626-Q628 PolarHBondContact O-N 2.89Å; N626-Q628 PolarHBondContact OD1-N 3.06Å; N626-R629 PolarHBondContact O-N 3.25Å; N626-R629 WeakPolarHBondContact OD1-CB 3.38Å; N626-R629 PolarHBondContact OD1-N 3.05Å; N626-R629 VanDerWaalsContact OD1-N 3.13Å |
| 627 | E | 64.9 | Low | 79.6 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -16.7 | -177.2 | -65.5 | 172 | -143.9 | 0 | 0 | 115.5 | L602 S603 | L602-E627 CarbonylContact C-O 3.58Å; L602-E627 VanDerWaalsContact C-O 3.23Å; S603-E627 WeakPolarHBondContact CA-O 3.34Å; S603-E627 WeakPolarHBondContact CB-O 3.16Å; S603-E627 PolarHBondContact N-O 2.82Å; S603-E627 VanDerWaalsContact N-O 3.16Å; S603-E627 PolarHBondContact OG-O 2.04Å |
| 628 | Q | 76.7 | Confident | 80.3 | Confident | 49 Ų | 49 | 59 Ų | 59 | 23% | 0.229 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -8.4 | 179.2 | -69.1 | 177 | -107.8 | 0 | 0 | 113.7 | L596 S597 R599 P604 N626 | L596-Q628 WeakPolarHBondContact CA-O 3.46Å; S597-Q628 PolarHBondContact N-O 3.17Å; S597-Q628 PolarHBondContact O-NE2 2.66Å; R599-Q628 PolarHBondContact O-NE2 2.91Å; P604-Q628 WeakPolarHBondContact CD-O 3.43Å; N626-Q628 PolarHBondContact O-N 2.89Å; N626-Q628 PolarHBondContact OD1-N 3.06Å |
| 629 | R | 81.5 | Confident | 81 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.9 | -162.4 | -167.5 | -179.7 | -171.9 | -132.8 | -3 | 111.4 | E594 C595 L596 K624 P625 N626 | E594-R629 IonicContact OE1-CZ 3.63Å; E594-R629 IonicContact OE1-NE 2.72Å; E594-R629 PolarHBondContact OE1-NE 3.02Å; E594-R629 IonicContact OE1-NH2 2.71Å; E594-R629 PolarHBondContact OE1-NH2 3.28Å; C595-R629 WeakPolarHBondContact O-CA 3.47Å; L596-R629 HydrophobicContact CD1-CB 4.25Å; L596-R629 HydrophobicContact CD1-CG 4.33Å; K624-R629 CarbonylContact C-O 3.23Å; K624-R629 WeakPolarHBondContact CA-O 3.09Å; P625-R629 WeakPolarHBondContact CD-O 3.33Å; P625-R629 HydrophobicContact CG-CG 4.45Å; N626-R629 PolarHBondContact O-N 3.25Å; N626-R629 WeakPolarHBondContact OD1-CB 3.38Å; N626-R629 PolarHBondContact OD1-N 3.05Å; N626-R629 VanDerWaalsContact OD1-N 3.13Å |
| 630 | L | 86 | Confident | 81 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.3 | 171 | -177.1 | 157.8 | 0 | 0 | 0 | 108.5 | C595 P604 A606 I622 T623 K624 I632 | C595-L630 HydrophobicContact CB-CB 4.17Å; C595-L630 PolarHBondContact N-O 3.05Å; C595-L630 PolarHBondContact O-N 2.91Å; P604-L630 HydrophobicContact CG-CB 4.03Å; P604-L630 WeakPolarHBondContact O-CD1 3.27Å; A606-L630 HydrophobicContact CB-CD1 4.44Å; A606-L630 HydrophobicContact CB-CD2 3.96Å; I622-L630 HydrophobicContact CG2-CD1 3.98Å; I622-L630 HydrophobicContact CG2-CD2 3.97Å; I622-L630 HydrophobicContact CG2-CG 3.85Å; T623-L630 CarbonylContact O-C 3.41Å; T623-L630 WeakPolarHBondContact O-CA 3.27Å; K624-L630 HydrophobicContact CG-CB 4.42Å; K624-L630 HydrophobicContact CG-CD1 4.26Å; K624-L630 HydrophobicContact CG-CG 4.19Å; L630-I632 HydrophobicContact CD2-CD1 4.36Å; L630-I632 HydrophobicContact CD2-CG1 3.52Å |
| 631 | I | 88.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.8 | 175.4 | -49.2 | 176.2 | 0 | 0 | 0 | 109.3 | E592 I593 I622 T623 P625 K633 | E592-I631 HydrophobicContact CB-CG2 3.91Å; E592-I631 HydrophobicContact CG-CG2 4.4Å; I593-I631 CarbonylContact O-C 3.6Å; I593-I631 VanDerWaalsContact O-CA 3.28Å; I593-I631 WeakPolarHBondContact O-CA 2.97Å; I622-I631 WeakPolarHBondContact CA-O 3.48Å; T623-I631 PolarHBondContact N-O 3.32Å; T623-I631 PolarHBondContact O-N 2.92Å; T623-I631 PolarHBondContact OG1-O 3.18Å; P625-I631 HydrophobicContact CG-CD1 3.75Å; P625-I631 HydrophobicContact CG-CG1 4.1Å; I631-K633 HydrophobicContact CG2-CG 3.99Å |
| 632 | I | 89.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.9 | 172.9 | -40.7 | 166.9 | 0 | 0 | 0 | 107.2 | E592 I593 A606 I614 F620 T621 I622 L630 I647 | E592-I632 CarbonylContact C-O 3.48Å; E592-I632 WeakPolarHBondContact CA-O 3.16Å; E592-I632 WeakPolarHBondContact CB-O 3.25Å; I593-I632 HydrophobicContact CB-CB 4.25Å; I593-I632 HydrophobicContact CB-CD1 4.24Å; I593-I632 HydrophobicContact CB-CG1 4.46Å; I593-I632 HydrophobicContact CD1-CD1 4.26Å; I593-I632 HydrophobicContact CG2-CD1 4.23Å; I593-I632 PolarHBondContact N-O 3.15Å; I593-I632 PolarHBondContact O-N 3.3Å; A606-I632 HydrophobicContact CB-CD1 3.54Å; A606-I632 HydrophobicContact CB-CG1 3.99Å; I614-I632 HydrophobicContact CD1-CD1 4.14Å; I614-I632 HydrophobicContact CG2-CG2 4.22Å; F620-I632 HydrophobicContact CD1-CG2 4.11Å; T621-I632 CarbonylContact O-C 3.56Å; T621-I632 WeakPolarHBondContact O-CA 3.31Å; I622-I632 HydrophobicContact CG1-CG2 4.28Å; L630-I632 HydrophobicContact CD2-CD1 4.36Å; L630-I632 HydrophobicContact CD2-CG1 3.52Å; I632-I647 HydrophobicContact CD1-CG2 3.53Å |
| 633 | K | 86.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.7 | 178.5 | -43.8 | -164 | -176.8 | -145.2 | 0 | 112 | F591 E592 F620 T621 I631 | F591-K633 WeakPolarHBondContact O-CA 3.22Å; E592-K633 HydrophobicContact CB-CB 4.38Å; E592-K633 HydrophobicContact CB-CD 4.33Å; E592-K633 HydrophobicContact CB-CG 3.87Å; E592-K633 WeakPolarHBondContact OE2-CE 3.49Å; E592-K633 IonicContact OE2-NZ 3.71Å; E592-K633 PolarHBondContact OE2-NZ 2.98Å; F620-K633 CarbonylContact C-O 3.56Å; F620-K633 WeakPolarHBondContact CA-O 3.26Å; T621-K633 PolarHBondContact N-O 2.76Å; T621-K633 PolarHBondContact O-N 3.18Å; T621-K633 PolarHBondContact OG1-O 3.28Å; I631-K633 HydrophobicContact CG2-CG 3.99Å |
| 634 | A | 85.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 102.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108 | P590 F591 F620 G637 | P590-A634 WeakPolarHBondContact CA-O 3.11Å; F591-A634 HydrophobicContact CD1-CB 3.96Å; F591-A634 HydrophobicContact CE1-CB 3.47Å; F591-A634 VanDerWaalsContact CE1-CB 3.47Å; F591-A634 HydrophobicContact CE2-CB 4.34Å; F591-A634 HydrophobicContact CZ-CB 3.68Å; F591-A634 PolarHBondContact N-O 3.17Å; F591-A634 PolarHBondContact O-N 2.77Å; F620-A634 HydrophobicContact CD1-CB 4.22Å; F620-A634 HydrophobicContact CE1-CB 4.25Å; A634-G637 PolarHBondContact O-N 2.93Å |
| 635 | T | 79.4 | Confident | 80.4 | Confident | 85 Ų | 85 | 34.2 Ų | 34.2 | 52% | 0.521 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -30.3 | -168.1 | 51 | 0 | 0 | 0 | 0 | 113.9 | P590 | P590-T635 WeakPolarHBondContact CB-O 3.26Å; P590-T635 WeakPolarHBondContact CG-O 3.26Å |
| 636 | D | 75.7 | Confident | 80.8 | Confident | 100 Ų | 100 | 33.1 Ų | 33.1 | 54% | 0.535 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 1.4 | 179.6 | -65.1 | 9.2 | 0 | 0 | 0 | 111.9 | R675 | D636-R675 IonicContact OD2-NH1 3.26Š|
| 637 | G | 84.1 | Confident | 81.4 | Confident | 9 Ų | 9 | 29 Ų | 29 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | trans | 67.3 | -160.6 | -166 | 0 | 0 | 0 | 0 | 0 | 113.2 | H589 A634 | H589-G637 WeakPolarHBondContact O-CA 3.41Å; A634-G637 PolarHBondContact O-N 2.93Å | ||
| 638 | L | 85.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -139 | 149.6 | -178.2 | -71.3 | 174.3 | 0 | 0 | 0 | 111.1 | A587 F588 F591 R619 F620 Y642 L645 L661 I663 | A587-L638 WeakPolarHBondContact CA-O 3.46Å; F588-L638 PolarHBondContact N-O 2.93Å; F591-L638 HydrophobicContact CE1-CD1 3.92Å; F591-L638 HydrophobicContact CE1-CG 4.16Å; F591-L638 HydrophobicContact CZ-CD1 3.93Å; R619-L638 HydrophobicContact CB-CD2 4.4Å; F620-L638 HydrophobicContact CE1-CD1 4.38Å; F620-L638 HydrophobicContact CZ-CD1 3.91Å; L638-Y642 HydrophobicContact CB-CD2 4.42Å; L638-Y642 HydrophobicContact CD2-CD2 4.25Å; L638-L645 HydrophobicContact CD1-CD2 4.39Å; L638-L661 HydrophobicContact CD1-CD1 3.82Å; L638-I663 HydrophobicContact CB-CD1 3.61Å; L638-I663 HydrophobicContact CD1-CD1 4.09Å | ||
| 639 | S | 84.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | trans | -66.4 | 151.8 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | V641 Y642 I663 F702 | S639-V641 PolarHBondContact O-N 2.89Å; S639-V641 VanDerWaalsContact O-N 3.09Å; S639-V641 PolarHBondContact OG-N 3.11Å; S639-Y642 PolarHBondContact O-N 3.42Å; S639-I663 WeakPolarHBondContact O-CD1 3.5Å; S639-F702 VanDerWaalsContact OG-CD1 3.32Å; S639-F702 WeakPolarHBondContact OG-CD1 3.13Å; S639-F702 WeakPolarHBondContact OG-CE1 3.43Å; S639-F702 WeakPolarHBondContact OG-CZ 3.31Å | ||
| 640 | S | 78.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -57.4 | -20.6 | 174.2 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | Y642 N643 D665 | S640-Y642 PolarHBondContact O-N 2.72Å; S640-Y642 VanDerWaalsContact O-N 3.16Å; S640-N643 VanDerWaalsContact O-CB 3.26Å; S640-N643 WeakPolarHBondContact O-CB 3Å; S640-N643 PolarHBondContact O-N 2.85Å; S640-D665 VanDerWaalsContact CB-OD2 3.28Å; S640-D665 WeakPolarHBondContact CB-OD2 3.1Å; S640-D665 PolarHBondContact OG-OD2 2.77Å |
| 641 | V | 76 | Confident | 82.1 | Confident | 9 Ų | 9 | 21.8 Ų | 21.8 | 6% | 0.055 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -59.1 | -21.8 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 113.3 | S639 I685 F702 A705 T708 R789 | S639-V641 PolarHBondContact O-N 2.89Å; S639-V641 VanDerWaalsContact O-N 3.09Å; S639-V641 PolarHBondContact OG-N 3.11Å; V641-I685 HydrophobicContact CG2-CD1 4.32Å; V641-F702 HydrophobicContact CG2-CD1 3.76Å; V641-F702 HydrophobicContact CG2-CE1 4.22Å; V641-A705 HydrophobicContact CG1-CB 3.61Å; V641-T708 HydrophobicContact CG1-CG2 3.81Å; V641-R789 WeakPolarHBondContact O-CD 3.18Å |
| 642 | Y | 82.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -91.6 | 12.6 | 175.5 | -62.4 | -79.8 | 0 | 0 | 0 | 114.2 | L638 S639 S640 G644 L645 S701 A705 | L638-Y642 HydrophobicContact CB-CD2 4.42Å; L638-Y642 HydrophobicContact CD2-CD2 4.25Å; S639-Y642 PolarHBondContact O-N 3.42Å; S640-Y642 PolarHBondContact O-N 2.72Å; S640-Y642 VanDerWaalsContact O-N 3.16Å; Y642-G644 PolarHBondContact O-N 3.01Å; Y642-L645 HydrophobicContact CD1-CD2 4.49Å; Y642-L645 VanDerWaalsContact O-CB 3.25Å; Y642-L645 WeakPolarHBondContact O-CB 3.38Å; Y642-L645 PolarHBondContact O-N 2.73Å; Y642-L645 VanDerWaalsContact O-N 3.07Å; Y642-S701 WeakPolarHBondContact CE2-O 3.42Å; Y642-A705 HydrophobicContact CE1-CB 3.8Å; Y642-A705 HydrophobicContact CE2-CB 4.41Å; Y642-A705 WeakPolarHBondContact OH-CA 3.33Å; Y642-A705 PolarHBondContact OH-N 2.75Å |
| 643 | N | 80.5 | Confident | 79.4 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 129.4 | 178.6 | -172.9 | 62.6 | 0 | 0 | 0 | 111.9 | S640 Y662 I663 T712 T790 | S640-N643 VanDerWaalsContact O-CB 3.26Å; S640-N643 WeakPolarHBondContact O-CB 3Å; S640-N643 PolarHBondContact O-N 2.85Å; N643-Y662 WeakPolarHBondContact OD1-CA 3.49Å; N643-I663 PolarHBondContact OD1-N 2.76Å; N643-T712 HydrophobicContact CB-CG2 4.32Å; N643-T790 PolarHBondContact ND2-O 2.82Å; N643-T790 PolarHBondContact O-N 2.69Å |
| 644 | G | 74.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 4.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y642 R646 L661 | Y642-G644 PolarHBondContact O-N 3.01Å; G644-R646 PolarHBondContact O-N 2.86Å; G644-L661 PolarHBondContact N-O 2.92Å |
| 645 | L | 80.9 | Confident | 77.3 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 131.6 | 173.7 | -179.5 | 59 | 0 | 0 | 0 | 110.6 | F608 F620 L638 Y642 L661 | F608-L645 HydrophobicContact CD1-CD1 4.13Å; F608-L645 HydrophobicContact CE1-CD1 4.41Å; F608-L645 HydrophobicContact CE1-CD2 4.27Å; F620-L645 HydrophobicContact CE2-CD2 4.39Å; F620-L645 HydrophobicContact CZ-CD2 3.97Å; L638-L645 HydrophobicContact CD1-CD2 4.39Å; Y642-L645 HydrophobicContact CD1-CD2 4.49Å; Y642-L645 VanDerWaalsContact O-CB 3.25Å; Y642-L645 WeakPolarHBondContact O-CB 3.38Å; Y642-L645 PolarHBondContact O-N 2.73Å; Y642-L645 VanDerWaalsContact O-N 3.07Å; L645-L661 HydrophobicContact CB-CD1 4.3Å; L645-L661 HydrophobicContact CD2-CD1 4.23Å; L645-L661 HydrophobicContact CG-CD1 4.39Å; L645-L661 PolarHBondContact O-N 2.93Å |
| 646 | R | 83.6 | Confident | 77.4 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.8 | -176.3 | -64.1 | 168.9 | -176.8 | -115.5 | 17.4 | 110.7 | G609 G644 E658 V659 T660 E780 | G609-R646 PolarHBondContact N-O 3.34Å; G644-R646 PolarHBondContact O-N 2.86Å; R646-E658 HydrophobicContact CB-CG 4.21Å; R646-E658 VanDerWaalsContact CD-OE1 3.28Å; R646-E658 WeakPolarHBondContact CD-OE1 3.5Å; R646-E658 IonicContact CZ-OE1 3.55Å; R646-E658 IonicContact NE-OE1 3.65Å; R646-E658 IonicContact NH1-OE1 3.19Å; R646-E658 PolarHBondContact NH1-OE1 2.99Å; R646-V659 WeakPolarHBondContact CA-O 3.39Å; R646-T660 HydrophobicContact CG-CG2 4.38Å; R646-E780 IonicContact CZ-OE2 3.81Å; R646-E780 IonicContact NE-OE2 2.81Å; R646-E780 PolarHBondContact NE-OE2 2.96Å; R646-E780 IonicContact NH2-OE1 2.73Å; R646-E780 PolarHBondContact NH2-OE1 2.92Å; R646-E780 IonicContact NH2-OE2 3.44Å; R646-E780 PolarHBondContact NH2-OE2 3.32Å |
| 647 | I | 85.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.6 | 175.9 | -74.9 | 170.6 | 0 | 0 | 0 | 108.3 | M578 I593 F608 I614 F620 I632 E658 V659 L661 | M578-I647 HydrophobicContact CE-CG2 4.26Å; I593-I647 HydrophobicContact CD1-CB 4.41Å; I593-I647 HydrophobicContact CD1-CD1 3.89Å; I593-I647 HydrophobicContact CD1-CG2 4.02Å; F608-I647 HydrophobicContact CD1-CG1 4.04Å; F608-I647 HydrophobicContact CE1-CG1 4.27Å; I614-I647 HydrophobicContact CD1-CB 4.47Å; I614-I647 HydrophobicContact CD1-CD1 4.41Å; I614-I647 HydrophobicContact CD1-CG1 4.07Å; I614-I647 HydrophobicContact CD1-CG2 3.79Å; F620-I647 HydrophobicContact CD1-CD1 4.44Å; F620-I647 HydrophobicContact CE1-CD1 3.72Å; F620-I647 HydrophobicContact CZ-CD1 4.08Å; I632-I647 HydrophobicContact CD1-CG2 3.53Å; I647-E658 CarbonylContact O-C 3.57Å; I647-E658 WeakPolarHBondContact O-CA 3.33Å; I647-V659 HydrophobicContact CB-CG1 3.87Å; I647-V659 HydrophobicContact CG2-CG1 4.24Å; I647-V659 PolarHBondContact N-O 2.86Å; I647-V659 PolarHBondContact O-N 3.07Å; I647-L661 HydrophobicContact CD1-CD1 4.13Å |
| 648 | R | 86.2 | Confident | 77.4 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.5 | 177.6 | -62.6 | 180 | 178.7 | 143.4 | 12.9 | 111.1 | A606 I607 G609 Y656 K657 E658 | A606-R648 VanDerWaalsContact CA-O 3.3Å; A606-R648 WeakPolarHBondContact CA-O 3.49Å; I607-R648 HydrophobicContact CG1-CB 3.92Å; I607-R648 PolarHBondContact N-O 2.87Å; I607-R648 VanDerWaalsContact N-O 3.1Å; I607-R648 PolarHBondContact O-N 2.79Å; G609-R648 PolarHBondContact O-NH1 3.33Å; G609-R648 PolarHBondContact O-NH2 2.85Å; G609-R648 VanDerWaalsContact O-NH2 3.07Å; R648-Y656 HydrophobicContact CG-CD2 4.37Å; R648-K657 CarbonylContact C-O 3.54Å; R648-K657 VanDerWaalsContact CA-O 3.25Å; R648-K657 WeakPolarHBondContact CA-O 3.42Å; R648-E658 HydrophobicContact CG-CB 4.02Å; R648-E658 HydrophobicContact CG-CG 3.93Å; R648-E658 IonicContact CZ-OE2 3.09Å; R648-E658 IonicContact NE-OE2 2.74Å; R648-E658 PolarHBondContact NE-OE2 2.03Å; R648-E658 IonicContact NH2-OE2 3.1Å; R648-E658 PolarHBondContact NH2-OE2 3.18Å |
| 649 | C | 86.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.3 | 153 | -64.5 | 0 | 0 | 0 | 0 | 107.9 | L576 M578 C595 Y656 K657 | L576-C649 HydrophobicContact CD2-CB 4.08Å; L576-C649 WeakPolarHBondContact CD2-O 3.28Å; M578-C649 HydrophobicContact CE-CB 4.32Å; M578-C649 VanDerWaalsContact CE-SG 3.52Å; M578-C649 HydrophobicContact CG-CB 4.46Å; M578-C649 HydrophobicContact SD-CB 4.1Å; C595-C649 VanDerWaalsContact CA-SG 3.5Å; C595-C649 HydrophobicContact CB-CB 3.73Å; C595-C649 WeakPolarHBondContact CB-SG 3.34Å; C595-C649 WeakPolarHBondContact SG-CB 3.43Å; C595-C649 CovalentContact SG-SG 2.02Å; C595-C649 PolarHBondContact SG-SG 2.03Å; C649-Y656 CarbonylContact O-C 3.52Å; C649-Y656 WeakPolarHBondContact O-CA 3.31Å; C649-Y656 WeakPolarHBondContact O-CB 3.47Å; C649-K657 PolarHBondContact N-O 3.2Å; C649-K657 PolarHBondContact O-N 2.85Å; C649-K657 VanDerWaalsContact O-O 3.06Å |
| 650 | M | 78.4 | Confident | 76.9 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.3 | 172 | 63 | -173.4 | -73.5 | 0 | 0 | 111.7 | P604 I605 I607 | P604-M650 WeakPolarHBondContact CA-O 3.3Å; I605-M650 HydrophobicContact CD1-CE 4.42Å; I605-M650 HydrophobicContact CD1-CG 3.98Å; I605-M650 HydrophobicContact CD1-SD 4.08Å; I605-M650 HydrophobicContact CG1-CG 3.4Å; I605-M650 HydrophobicContact CG1-SD 4.11Å; I605-M650 PolarHBondContact N-O 2.87Å; I605-M650 PolarHBondContact O-N 2.96Å; I607-M650 HydrophobicContact CD1-SD 3.57Å; I607-M650 VanDerWaalsContact CD1-SD 3.57Å; I607-M650 HydrophobicContact CG1-SD 4.19Å |
| 651 | L | 71.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -94.5 | 130.5 | 164.4 | -80.7 | 173.5 | 0 | 0 | 0 | 108.6 | D575 L576 L602 P604 G653 L654 N655 | D575-L651 HydrophobicContact CB-CD1 4.31Å; L576-L651 HydrophobicContact CB-CD1 4.18Å; L576-L651 HydrophobicContact CD1-CD1 4.5Å; L576-L651 HydrophobicContact CD1-CG 4.25Å; L576-L651 HydrophobicContact CD2-CG 4.45Å; L602-L651 HydrophobicContact CB-CD2 3.91Å; P604-L651 HydrophobicContact CB-CD2 4.36Å; L651-G653 PolarHBondContact O-N 2.94Å; L651-L654 HydrophobicContact CB-CB 3.71Å; L651-L654 HydrophobicContact CB-CD1 4.19Å; L651-L654 HydrophobicContact CD1-CD1 4.22Å; L651-L654 PolarHBondContact O-N 3.45Å; L651-N655 PolarHBondContact N-O 2.95Å | ||
| 652 | P | 61 | Low | 77.2 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 127.7 | 177.6 | -27.4 | 35.7 | 0 | 0 | 0 | 112.2 | I605 L654 | I605-P652 HydrophobicContact CD1-CG 4.47Å; P652-L654 PolarHBondContact O-N 3.41Å |
| 653 | G | 59.3 | Low | 77.1 | Confident | 58 Ų | 58 | 37.6 Ų | 37.6 | 60% | 0.598 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 11.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | L651 | L651-G653 PolarHBondContact O-N 2.94Š|
| 654 | L | 64.3 | Low | 76.7 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -137.2 | -175.2 | -174 | -71 | 175.8 | 0 | 0 | 0 | 111.9 | L602 L651 P652 | L602-L654 HydrophobicContact CD1-CD1 3.89Å; L651-L654 HydrophobicContact CB-CB 3.71Å; L651-L654 HydrophobicContact CB-CD1 4.19Å; L651-L654 HydrophobicContact CD1-CD1 4.22Å; L651-L654 PolarHBondContact O-N 3.45Å; P652-L654 PolarHBondContact O-N 3.41Å |
| 655 | N | 64.8 | Low | 76.5 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | trans | -54.2 | 142.4 | 178.6 | -65.5 | -52.6 | 0 | 0 | 0 | 113.2 | D575 L576 L651 | D575-N655 PolarHBondContact OD2-ND2 2.83Å; D575-N655 VanDerWaalsContact OD2-ND2 3.17Å; L576-N655 WeakPolarHBondContact CD2-O 3.3Å; L651-N655 PolarHBondContact N-O 2.95Å | ||
| 656 | Y | 80.5 | Confident | 76.3 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 165 | 170.3 | 72 | -89.6 | 0 | 0 | 0 | 112.2 | R648 C649 | R648-Y656 HydrophobicContact CG-CD2 4.37Å; C649-Y656 CarbonylContact O-C 3.52Å; C649-Y656 WeakPolarHBondContact O-CA 3.31Å; C649-Y656 WeakPolarHBondContact O-CB 3.47Å |
| 657 | K | 78.7 | Confident | 75.9 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132 | 170.5 | -69.1 | -67.4 | -173.2 | -177 | 0 | 108.1 | L576 M578 R648 C649 | L576-K657 HydrophobicContact CB-CG 4.36Å; L576-K657 HydrophobicContact CD2-CB 4.44Å; L576-K657 HydrophobicContact CD2-CG 4.21Å; L576-K657 HydrophobicContact CG-CG 4.01Å; L576-K657 WeakPolarHBondContact O-CE 3.36Å; M578-K657 HydrophobicContact CB-CB 3.68Å; M578-K657 HydrophobicContact CB-CG 4.09Å; M578-K657 HydrophobicContact CG-CB 4.31Å; M578-K657 HydrophobicContact SD-CB 3.61Å; M578-K657 VanDerWaalsContact SD-O 3.37Å; R648-K657 CarbonylContact C-O 3.54Å; R648-K657 VanDerWaalsContact CA-O 3.25Å; R648-K657 WeakPolarHBondContact CA-O 3.42Å; C649-K657 PolarHBondContact N-O 3.2Å; C649-K657 PolarHBondContact O-N 2.85Å; C649-K657 VanDerWaalsContact O-O 3.06Å |
| 658 | E | 80.9 | Confident | 75 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.2 | 173.8 | -170.4 | 173.9 | 102.7 | 0 | 0 | 109.9 | R646 I647 R648 | R646-E658 HydrophobicContact CB-CG 4.21Å; R646-E658 VanDerWaalsContact CD-OE1 3.28Å; R646-E658 WeakPolarHBondContact CD-OE1 3.5Å; R646-E658 IonicContact CZ-OE1 3.55Å; R646-E658 IonicContact NE-OE1 3.65Å; R646-E658 IonicContact NH1-OE1 3.19Å; R646-E658 PolarHBondContact NH1-OE1 2.99Å; I647-E658 CarbonylContact O-C 3.57Å; I647-E658 WeakPolarHBondContact O-CA 3.33Å; R648-E658 HydrophobicContact CG-CB 4.02Å; R648-E658 HydrophobicContact CG-CG 3.93Å; R648-E658 IonicContact CZ-OE2 3.09Å; R648-E658 IonicContact NE-OE2 2.74Å; R648-E658 PolarHBondContact NE-OE2 2.03Å; R648-E658 IonicContact NH2-OE2 3.1Å; R648-E658 PolarHBondContact NH2-OE2 3.18Å |
| 659 | V | 81.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.9 | 163.5 | 72.5 | 0 | 0 | 0 | 0 | 108.8 | M578 I583 I593 R646 I647 L661 | M578-V659 HydrophobicContact CE-CB 3.51Å; M578-V659 HydrophobicContact CE-CG1 3.33Å; M578-V659 HydrophobicContact SD-CB 4.08Å; I583-V659 HydrophobicContact CB-CG2 4.39Å; I583-V659 HydrophobicContact CD1-CG2 4.34Å; I583-V659 HydrophobicContact CG1-CG2 4.03Å; I593-V659 HydrophobicContact CD1-CG1 3.81Å; I593-V659 HydrophobicContact CG1-CG1 4.4Å; R646-V659 WeakPolarHBondContact CA-O 3.39Å; I647-V659 HydrophobicContact CB-CG1 3.87Å; I647-V659 HydrophobicContact CG2-CG1 4.24Å; I647-V659 PolarHBondContact N-O 2.86Å; I647-V659 PolarHBondContact O-N 3.07Å; V659-L661 HydrophobicContact CG1-CD2 4.44Å |
| 660 | T | 78.4 | Confident | 72.6 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134 | 165.6 | -41.2 | 0 | 0 | 0 | 0 | 108.8 | R646 Y662 | R646-T660 HydrophobicContact CG-CG2 4.38Å; T660-Y662 WeakPolarHBondContact CB-OH 3.07Å; T660-Y662 HydrophobicContact CG2-CE1 3.87Å; T660-Y662 HydrophobicContact CG2-CE2 4.13Å; T660-Y662 WeakPolarHBondContact CG2-OH 3.43Å |
| 661 | L | 82.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115 | 176.2 | -56 | -177.3 | 0 | 0 | 0 | 110 | I583 F591 I593 L638 G644 L645 I647 V659 I663 | I583-L661 HydrophobicContact CB-CD2 3.84Å; I583-L661 HydrophobicContact CD1-CD2 3.72Å; I583-L661 HydrophobicContact CG1-CD2 4.26Å; I583-L661 HydrophobicContact CG2-CD2 3.99Å; F591-L661 HydrophobicContact CE1-CD1 4.48Å; F591-L661 HydrophobicContact CE2-CD1 4.12Å; F591-L661 HydrophobicContact CE2-CD2 3.8Å; F591-L661 HydrophobicContact CZ-CD1 3.6Å; F591-L661 HydrophobicContact CZ-CD2 4.04Å; F591-L661 HydrophobicContact CZ-CG 4.48Å; I593-L661 HydrophobicContact CD1-CD2 4.47Å; L638-L661 HydrophobicContact CD1-CD1 3.82Å; G644-L661 PolarHBondContact N-O 2.92Å; L645-L661 HydrophobicContact CB-CD1 4.3Å; L645-L661 HydrophobicContact CD2-CD1 4.23Å; L645-L661 HydrophobicContact CG-CD1 4.39Å; L645-L661 PolarHBondContact O-N 2.93Å; I647-L661 HydrophobicContact CD1-CD1 4.13Å; V659-L661 HydrophobicContact CG1-CD2 4.44Å; L661-I663 HydrophobicContact CB-CG1 4.44Å |
| 662 | Y | 77.9 | Confident | 72.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107.7 | 172.3 | -59.9 | -68.4 | 0 | 0 | 0 | 109.2 | I582 I583 Y584 I585 N643 T660 R778 I792 | I582-Y662 HydrophobicContact CG2-CD2 3.88Å; I582-Y662 HydrophobicContact CG2-CE2 3.85Å; I583-Y662 WeakPolarHBondContact O-CB 3.28Å; I583-Y662 PolarHBondContact O-N 3.11Å; Y584-Y662 WeakPolarHBondContact CA-O 3.01Å; Y584-Y662 VanDerWaalsContact CD1-CB 3.44Å; Y584-Y662 AromaticContact CD1-CD2 3.98Å; Y584-Y662 HydrophobicContact CD1-CD2 3.98Å; Y584-Y662 AromaticContact CD1-CG 3.97Å; Y584-Y662 HydrophobicContact CD1-CG 3.97Å; Y584-Y662 AromaticContact CE1-CD2 3.54Å; Y584-Y662 HydrophobicContact CE1-CD2 3.54Å; Y584-Y662 HydrophobicContact CE1-CE2 4.41Å; Y584-Y662 AromaticContact CE1-CG 3.72Å; Y584-Y662 HydrophobicContact CE1-CG 3.72Å; Y584-Y662 AromaticContact CZ-CD2 3.91Å; I585-Y662 PolarHBondContact N-O 2.95Å; N643-Y662 WeakPolarHBondContact OD1-CA 3.49Å; T660-Y662 WeakPolarHBondContact CB-OH 3.07Å; T660-Y662 HydrophobicContact CG2-CE1 3.87Å; T660-Y662 HydrophobicContact CG2-CE2 4.13Å; T660-Y662 WeakPolarHBondContact CG2-OH 3.43Å; Y662-R778 PolarHBondContact OH-NH1 2.9Å; Y662-I792 HydrophobicContact CD1-CD1 3.81Å; Y662-I792 HydrophobicContact CE1-CD1 4.19Å |
| 663 | I | 81.6 | Confident | 73.9 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 102.8 | -172.9 | -53 | 172.3 | 0 | 0 | 0 | 107.6 | I585 A587 L638 S639 N643 L661 | I585-I663 HydrophobicContact CD1-CG1 4.26Å; I585-I663 HydrophobicContact CG1-CG1 4.19Å; I585-I663 CarbonylContact O-C 3.43Å; I585-I663 WeakPolarHBondContact O-CA 2.92Å; A587-I663 HydrophobicContact CB-CG2 4.1Å; L638-I663 HydrophobicContact CB-CD1 3.61Å; L638-I663 HydrophobicContact CD1-CD1 4.09Å; S639-I663 WeakPolarHBondContact O-CD1 3.5Å; N643-I663 PolarHBondContact OD1-N 2.76Å; L661-I663 HydrophobicContact CB-CG1 4.44Å |
| 664 | M | 71 | Confident | 75 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 47% | 0.473 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.7 | -178 | -66.1 | -159.7 | -66.1 | 0 | 0 | 111.3 | I585 P586 A587 | I585-M664 PolarHBondContact O-N 2.8Å; P586-M664 CarbonylContact C-O 3.33Å; P586-M664 WeakPolarHBondContact CA-O 3.06Å; A587-M664 PolarHBondContact N-O 2.91Å |
| 665 | D | 71.7 | Confident | 75.8 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | trans | -93.1 | 148.8 | 173.7 | -154.4 | -61.2 | 0 | 0 | 0 | 109.8 | S640 C667 S672 Q673 | S640-D665 VanDerWaalsContact CB-OD2 3.28Å; S640-D665 WeakPolarHBondContact CB-OD2 3.1Å; S640-D665 PolarHBondContact OG-OD2 2.77Å; D665-C667 WeakPolarHBondContact OD1-CB 3.33Å; D665-C667 PolarHBondContact OD1-N 2.82Å; D665-C667 PolarHBondContact OD1-SG 2.83Å; D665-S672 WeakPolarHBondContact OD2-CA 3.49Å; D665-Q673 WeakPolarHBondContact OD1-CB 3.45Å; D665-Q673 PolarHBondContact OD1-N 2.74Å; D665-Q673 WeakPolarHBondContact OD2-CB 3.27Å; D665-Q673 PolarHBondContact OD2-N 3.32Å | ||
| 666 | I | 75.9 | Confident | 76.4 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 56% | 0.559 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -89.6 | -9.9 | 174.1 | 68.7 | -179.2 | 0 | 0 | 0 | 113 | Q673 R677 | I666-Q673 HydrophobicContact CD1-CG 4.45Å; I666-Q673 HydrophobicContact CG1-CG 4.25Å; I666-R677 HydrophobicContact CD1-CB 4.27Å |
| 667 | C | 75.6 | Confident | 76.3 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -84.3 | 173.7 | -175.3 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | D665 Q671 C679 | D665-C667 WeakPolarHBondContact OD1-CB 3.33Å; D665-C667 PolarHBondContact OD1-N 2.82Å; D665-C667 PolarHBondContact OD1-SG 2.83Å; C667-Q671 HydrophobicContact CB-CB 3.62Å; C667-C679 VanDerWaalsContact CA-SG 3.51Å; C667-C679 HydrophobicContact CB-CB 3.68Å; C667-C679 WeakPolarHBondContact CB-SG 3.31Å; C667-C679 WeakPolarHBondContact SG-CA 3.28Å; C667-C679 WeakPolarHBondContact SG-CB 3.49Å; C667-C679 CovalentContact SG-SG 2.03Å; C667-C679 PolarHBondContact SG-SG 2.88Å |
| 668 | T | 67 | Low | 76.3 | Confident | 83 Ų | 83 | 49 Ų | 49 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | trans | -70.5 | 163.7 | 173.8 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | S670 Q671 | T668-S670 PolarHBondContact O-N 2.81Å; T668-S670 VanDerWaalsContact O-N 3.09Å; T668-Q671 WeakPolarHBondContact O-CA 3.4Å; T668-Q671 WeakPolarHBondContact O-CB 3.41Å; T668-Q671 PolarHBondContact O-N 3.17Å; T668-Q671 WeakPolarHBondContact OG1-CG 3.42Å; T668-Q671 PolarHBondContact OG1-OE1 2.84Å | ||
| 669 | A | 61.3 | Low | 76.3 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q671 P711 | A669-Q671 VanDerWaalsContact C-N 3.34Å; A669-P711 HydrophobicContact CB-CB 4Å; A669-P711 WeakPolarHBondContact O-CB 3.09Å |
| 670 | S | 60.6 | Low | 76.2 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 44% | 0.441 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 4.5 | 175.6 | 73.2 | 0 | 0 | 0 | 0 | 114 | T668 Q681 T682 | T668-S670 PolarHBondContact O-N 2.81Å; T668-S670 VanDerWaalsContact O-N 3.09Å; S670-Q681 PolarHBondContact O-OE1 3.4Å; S670-Q681 PolarHBondContact OG-OE1 3.38Å; S670-T682 PolarHBondContact O-N 2.98Å; S670-T682 PolarHBondContact O-OG1 3.33Å; S670-T682 VanDerWaalsContact O-OG1 3.11Å |
| 671 | Q | 78.3 | Confident | 76.1 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 163.8 | -176.2 | -70.6 | -179.7 | -58.7 | 0 | 0 | 111.6 | C667 T668 A669 C679 I680 T682 | C667-Q671 HydrophobicContact CB-CB 3.62Å; T668-Q671 WeakPolarHBondContact O-CA 3.4Å; T668-Q671 WeakPolarHBondContact O-CB 3.41Å; T668-Q671 PolarHBondContact O-N 3.17Å; T668-Q671 WeakPolarHBondContact OG1-CG 3.42Å; T668-Q671 PolarHBondContact OG1-OE1 2.84Å; A669-Q671 VanDerWaalsContact C-N 3.34Å; Q671-C679 HydrophobicContact CB-CB 4.42Å; Q671-C679 PolarHBondContact NE2-O 2.84Å; Q671-I680 CarbonylContact C-O 3.45Å; Q671-I680 WeakPolarHBondContact CA-O 3.4Å; Q671-I680 WeakPolarHBondContact CB-O 3.46Å; Q671-I680 WeakPolarHBondContact CG-O 3.37Å; Q671-T682 VanDerWaalsContact C-OG1 3.22Å; Q671-T682 WeakPolarHBondContact CA-OG1 3.43Å; Q671-T682 PolarHBondContact N-OG1 2.81Å; Q671-T682 PolarHBondContact O-OG1 2.7Å |
| 672 | S | 76.2 | Confident | 75.4 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | D665 C674 I680 T682 | D665-S672 WeakPolarHBondContact OD2-CA 3.49Å; S672-C674 PolarHBondContact O-N 3.3Å; S672-I680 PolarHBondContact N-O 2.7Å; S672-I680 PolarHBondContact O-N 2.04Å; S672-I680 VanDerWaalsContact O-N 3.15Å; S672-T682 WeakPolarHBondContact OG-CG2 3.35Å; S672-T682 PolarHBondContact OG-OG1 2.68Å |
| 673 | Q | 83.1 | Confident | 75 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.6 | -175 | -169.9 | -172.8 | -48 | 0 | 0 | 111.4 | A587 F588 D665 I666 Q678 | A587-Q673 HydrophobicContact CB-CB 4.23Å; A587-Q673 PolarHBondContact O-NE2 3.29Å; F588-Q673 WeakPolarHBondContact CE2-O 3.05Å; D665-Q673 WeakPolarHBondContact OD1-CB 3.45Å; D665-Q673 PolarHBondContact OD1-N 2.74Å; D665-Q673 WeakPolarHBondContact OD2-CB 3.27Å; D665-Q673 PolarHBondContact OD2-N 3.32Å; I666-Q673 HydrophobicContact CD1-CG 4.45Å; I666-Q673 HydrophobicContact CG1-CG 4.25Å; Q673-Q678 CarbonylContact C-O 3.55Å; Q673-Q678 WeakPolarHBondContact CA-O 3.01Å |
| 674 | C | 83 | Confident | 74.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -57.9 | 157.7 | 162.6 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | S672 T676 R677 Q678 C692 | S672-C674 PolarHBondContact O-N 3.3Å; C674-T676 WeakPolarHBondContact CB-OG1 3.42Å; C674-T676 PolarHBondContact O-N 3.12Å; C674-T676 VanDerWaalsContact O-N 3.13Å; C674-R677 WeakPolarHBondContact O-CA 3.32Å; C674-R677 PolarHBondContact O-N 2.92Å; C674-Q678 HydrophobicContact CB-CB 4.08Å; C674-Q678 PolarHBondContact N-O 3.46Å; C674-C692 HydrophobicContact CB-CB 3.76Å; C674-C692 WeakPolarHBondContact CB-SG 3.26Å; C674-C692 VanDerWaalsContact SG-CA 3.53Å; C674-C692 WeakPolarHBondContact SG-CB 3.38Å; C674-C692 CovalentContact SG-SG 2.03Å; C674-C692 PolarHBondContact SG-SG 3.3Å | ||
| 675 | R | 80.2 | Confident | 75.1 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 42% | 0.415 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | 172.4 | -175.8 | -166.4 | -52.5 | -140.5 | 3.3 | 112.3 | F588 D636 R677 D694 S696 S701 | F588-R675 HydrophobicContact CB-CG 4.48Å; F588-R675 HydrophobicContact CD1-CB 3.96Å; F588-R675 HydrophobicContact CD1-CG 3.9Å; F588-R675 HydrophobicContact CD2-CB 4.26Å; F588-R675 HydrophobicContact CE1-CB 4.09Å; F588-R675 HydrophobicContact CE1-CG 4.36Å; F588-R675 HydrophobicContact CE2-CB 4.38Å; F588-R675 HydrophobicContact CG-CB 4.04Å; F588-R675 HydrophobicContact CG-CG 4.15Å; F588-R675 HydrophobicContact CZ-CB 4.3Å; D636-R675 IonicContact OD2-NH1 3.26Å; R675-R677 VanDerWaalsContact C-N 3.26Å; R675-R677 PolarHBondContact O-N 2.96Å; R675-D694 WeakPolarHBondContact CB-OD2 3.39Å; R675-D694 WeakPolarHBondContact CD-OD2 3.49Å; R675-D694 IonicContact NE-OD2 3.4Å; R675-S696 WeakPolarHBondContact CB-OG 3.32Å; R675-S696 PolarHBondContact N-OG 2.84Å; R675-S701 PolarHBondContact NH2-OG 3.24Å; R675-S701 VanDerWaalsContact NH2-OG 3.16Å |
| 676 | T | 79.4 | Confident | 75.1 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.4 | 169.9 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | C674 Q678 L693 D694 | C674-T676 WeakPolarHBondContact CB-OG1 3.42Å; C674-T676 PolarHBondContact O-N 3.12Å; C674-T676 VanDerWaalsContact O-N 3.13Å; T676-Q678 VanDerWaalsContact C-N 3.33Å; T676-Q678 PolarHBondContact OG1-N 3.25Å; T676-Q678 PolarHBondContact OG1-OE1 3.24Å; T676-Q678 VanDerWaalsContact OG1-OE1 3.12Å; T676-L693 HydrophobicContact CG2-CB 4.28Å; T676-D694 HydrophobicContact CG2-CB 3.73Å |
| 677 | R | 77.7 | Confident | 74.9 | Confident | 166 Ų | 166 | 53.7 Ų | 53.7 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 67.8 | 15.2 | -167.9 | -51 | -172 | 176.6 | -180 | -0.9 | 116.6 | I666 C674 R675 | I666-R677 HydrophobicContact CD1-CB 4.27Å; C674-R677 WeakPolarHBondContact O-CA 3.32Å; C674-R677 PolarHBondContact O-N 2.92Å; R675-R677 VanDerWaalsContact C-N 3.26Å; R675-R677 PolarHBondContact O-N 2.96Å |
| 678 | Q | 79.1 | Confident | 74.5 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | trans | -69.2 | 156.6 | 161.6 | -74.4 | 171.1 | -75.5 | 0 | 0 | 111.3 | Q673 C674 T676 L693 | Q673-Q678 CarbonylContact C-O 3.55Å; Q673-Q678 WeakPolarHBondContact CA-O 3.01Å; C674-Q678 HydrophobicContact CB-CB 4.08Å; C674-Q678 PolarHBondContact N-O 3.46Å; T676-Q678 VanDerWaalsContact C-N 3.33Å; T676-Q678 PolarHBondContact OG1-N 3.25Å; T676-Q678 PolarHBondContact OG1-OE1 3.24Å; T676-Q678 VanDerWaalsContact OG1-OE1 3.12Å; Q678-L693 VanDerWaalsContact OE1-CB 3.29Å; Q678-L693 VanDerWaalsContact OE1-N 3.14Å | ||
| 679 | C | 80.4 | Confident | 74.7 | Confident | 50 Ų | 50 | 57 Ų | 57 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 101.1 | 176.2 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | C667 Q671 | C667-C679 VanDerWaalsContact CA-SG 3.51Å; C667-C679 HydrophobicContact CB-CB 3.68Å; C667-C679 WeakPolarHBondContact CB-SG 3.31Å; C667-C679 WeakPolarHBondContact SG-CA 3.28Å; C667-C679 WeakPolarHBondContact SG-CB 3.49Å; C667-C679 CovalentContact SG-SG 2.03Å; C667-C679 PolarHBondContact SG-SG 2.88Å; Q671-C679 HydrophobicContact CB-CB 4.42Å; Q671-C679 PolarHBondContact NE2-O 2.84Å |
| 680 | I | 79.8 | Confident | 75.4 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 160.4 | 169.9 | 58 | 166.2 | 0 | 0 | 0 | 110 | Q671 S672 L684 I685 D691 D697 | Q671-I680 CarbonylContact C-O 3.45Å; Q671-I680 WeakPolarHBondContact CA-O 3.4Å; Q671-I680 WeakPolarHBondContact CB-O 3.46Å; Q671-I680 WeakPolarHBondContact CG-O 3.37Å; S672-I680 PolarHBondContact N-O 2.7Å; S672-I680 PolarHBondContact O-N 2.04Å; S672-I680 VanDerWaalsContact O-N 3.15Å; I680-L684 HydrophobicContact CD1-CB 4.42Å; I680-I685 HydrophobicContact CD1-CG1 3.93Å; I680-D691 HydrophobicContact CG2-CB 3.91Å; I680-D697 HydrophobicContact CD1-CB 3.87Å |
| 681 | Q | 75.6 | Confident | 76.4 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 140.5 | 168.9 | -65.5 | -66.5 | -27.7 | 0 | 0 | 109 | S670 S683 L684 | S670-Q681 PolarHBondContact O-OE1 3.4Å; S670-Q681 PolarHBondContact OG-OE1 3.38Å; Q681-S683 PolarHBondContact O-N 2.92Å; Q681-L684 HydrophobicContact CB-CD1 4.07Å; Q681-L684 HydrophobicContact CB-CG 4.22Å; Q681-L684 WeakPolarHBondContact O-CB 3.17Å; Q681-L684 PolarHBondContact O-N 2.9Å |
| 682 | T | 67.5 | Low | 76.4 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -63.7 | -13.8 | -178.3 | -47.1 | 0 | 0 | 0 | 0 | 112.7 | S670 Q671 S672 L684 I685 I710 | S670-T682 PolarHBondContact O-N 2.98Å; S670-T682 PolarHBondContact O-OG1 3.33Å; S670-T682 VanDerWaalsContact O-OG1 3.11Å; Q671-T682 VanDerWaalsContact C-OG1 3.22Å; Q671-T682 WeakPolarHBondContact CA-OG1 3.43Å; Q671-T682 PolarHBondContact N-OG1 2.81Å; Q671-T682 PolarHBondContact O-OG1 2.7Å; S672-T682 WeakPolarHBondContact OG-CG2 3.35Å; S672-T682 PolarHBondContact OG-OG1 2.68Å; T682-L684 VanDerWaalsContact C-N 3.31Å; T682-I685 HydrophobicContact CG2-CD1 3.74Å; T682-I710 HydrophobicContact CG2-CD1 3.68Å; T682-I710 HydrophobicContact CG2-CG1 3.82Å; T682-I710 HydrophobicContact CG2-CG2 4.1Å |
| 683 | S | 69.7 | Low | 76.6 | Confident | 91 Ų | 91 | 61 Ų | 61 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -76.9 | -8.7 | 171.2 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | Q681 | Q681-S683 PolarHBondContact O-N 2.92Š|
| 684 | L | 79.4 | Confident | 76.2 | Confident | 52 Ų | 52 | 63.9 Ų | 63.9 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -101.6 | 11 | -179.4 | -58.9 | 171.6 | 0 | 0 | 0 | 112.4 | I680 Q681 T682 | I680-L684 HydrophobicContact CD1-CB 4.42Å; Q681-L684 HydrophobicContact CB-CD1 4.07Å; Q681-L684 HydrophobicContact CB-CG 4.22Å; Q681-L684 WeakPolarHBondContact O-CB 3.17Å; Q681-L684 PolarHBondContact O-N 2.9Å; T682-L684 VanDerWaalsContact C-N 3.31Å |
| 685 | I | 76.3 | Confident | 75.9 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 122.2 | 178.7 | -65.4 | 168.1 | 0 | 0 | 0 | 108.5 | V641 I680 T682 D687 F702 | V641-I685 HydrophobicContact CG2-CD1 4.32Å; I680-I685 HydrophobicContact CD1-CG1 3.93Å; T682-I685 HydrophobicContact CG2-CD1 3.74Å; I685-D687 VanDerWaalsContact C-N 3.32Å; I685-F702 HydrophobicContact CD1-CD1 3.84Å; I685-F702 HydrophobicContact CD1-CE1 3.91Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 4.27Å; I685-F702 HydrophobicContact CG2-CB 3.49Å; I685-F702 VanDerWaalsContact CG2-CB 3.49Å; I685-F702 HydrophobicContact CG2-CD1 3.6Å; I685-F702 HydrophobicContact CG2-CG 3.83Å |
| 686 | C | 71.2 | Confident | 75.7 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 42.2 | 179.1 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | D697 E698 C703 I729 | C686-D697 PolarHBondContact SG-O 3.27Å; C686-E698 WeakPolarHBondContact CA-OE1 3.4Å; C686-E698 PolarHBondContact N-OE1 2.92Å; C686-C703 HydrophobicContact CB-CB 3.97Å; C686-C703 WeakPolarHBondContact CB-SG 3.41Å; C686-C703 WeakPolarHBondContact SG-CA 3.06Å; C686-C703 WeakPolarHBondContact SG-CB 3.25Å; C686-C703 PolarHBondContact SG-N 3.07Å; C686-C703 CovalentContact SG-SG 2.04Å; C686-C703 PolarHBondContact SG-SG 2.8Å; C686-I729 HydrophobicContact CB-CG2 4.21Å |
| 687 | D | 72.1 | Confident | 75.8 | Confident | 69 Ų | 69 | 63 Ų | 63 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -93.4 | -10 | 177.9 | 131 | -57 | 0 | 0 | 0 | 111.6 | I685 K689 E698 | I685-D687 VanDerWaalsContact C-N 3.32Å; D687-K689 VanDerWaalsContact OD1-CB 3.23Å; D687-K689 WeakPolarHBondContact OD1-CB 3.15Å; D687-K689 WeakPolarHBondContact OD1-CG 3.08Å; D687-K689 PolarHBondContact OD1-N 2.66Å; D687-K689 IonicContact OD1-NZ 3.32Å; D687-K689 PolarHBondContact OD1-NZ 2.84Å; D687-K689 IonicContact OD2-NZ 3.47Å; D687-K689 PolarHBondContact OD2-NZ 2.99Å; D687-E698 PolarHBondContact N-OE1 2.69Å |
| 688 | G | 67.4 | Low | 75.8 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 97.7 | -2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E698 | G688-E698 VanDerWaalsContact CA-OE2 3.26Å; G688-E698 WeakPolarHBondContact CA-OE2 3.01Å; G688-E698 VanDerWaalsContact N-CD 3.34Å; G688-E698 PolarHBondContact N-OE1 2.69Å; G688-E698 PolarHBondContact N-OE2 3.08Å |
| 689 | K | 71.1 | Confident | 75.5 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -118.6 | 140.6 | 176.7 | -59.1 | -176.2 | -126.7 | 70.3 | 0 | 110.9 | D687 D691 E698 | D687-K689 VanDerWaalsContact OD1-CB 3.23Å; D687-K689 WeakPolarHBondContact OD1-CB 3.15Å; D687-K689 WeakPolarHBondContact OD1-CG 3.08Å; D687-K689 PolarHBondContact OD1-N 2.66Å; D687-K689 IonicContact OD1-NZ 3.32Å; D687-K689 PolarHBondContact OD1-NZ 2.84Å; D687-K689 IonicContact OD2-NZ 3.47Å; D687-K689 PolarHBondContact OD2-NZ 2.99Å; K689-D691 PolarHBondContact O-N 2.94Å; K689-E698 VanDerWaalsContact O-CG 3.26Å; K689-E698 WeakPolarHBondContact O-CG 3.26Å |
| 690 | A | 75.3 | Confident | 74.8 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | trans | -85.4 | 94.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | K695 | A690-K695 HydrophobicContact CB-CB 3.79Å; A690-K695 HydrophobicContact CB-CD 3.79Å; A690-K695 HydrophobicContact CB-CG 3.52Å | ||
| 691 | D | 81.3 | Confident | 74.3 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | trans | -85.3 | -21.8 | 171.7 | -76.3 | -37.5 | 0 | 0 | 0 | 111.5 | I680 K689 D697 | I680-D691 HydrophobicContact CG2-CB 3.91Å; K689-D691 PolarHBondContact O-N 2.94Å; D691-D697 PolarHBondContact N-OD2 3.16Å | ||
| 692 | C | 79.2 | Confident | 74.2 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -77.4 | 133.7 | 165.1 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | C674 D694 K695 D697 | C674-C692 HydrophobicContact CB-CB 3.76Å; C674-C692 WeakPolarHBondContact CB-SG 3.26Å; C674-C692 VanDerWaalsContact SG-CA 3.53Å; C674-C692 WeakPolarHBondContact SG-CB 3.38Å; C674-C692 CovalentContact SG-SG 2.03Å; C674-C692 PolarHBondContact SG-SG 3.3Å; C692-D694 PolarHBondContact O-N 2.95Å; C692-K695 PolarHBondContact O-N 2.75Å; C692-D697 HydrophobicContact CB-CB 4.27Å; C692-D697 PolarHBondContact N-OD2 2.91Å; C692-D697 VanDerWaalsContact SG-CG 3.59Å |
| 693 | L | 79.4 | Confident | 74.4 | Confident | 146 Ų | 146 | 54 Ų | 54 | 76% | 0.764 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.9 | -178.8 | -79.7 | 170.4 | 0 | 0 | 0 | 115.4 | T676 Q678 | T676-L693 HydrophobicContact CG2-CB 4.28Å; Q678-L693 VanDerWaalsContact OE1-CB 3.29Å; Q678-L693 VanDerWaalsContact OE1-N 3.14Å |
| 694 | D | 75 | Confident | 74.2 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 7.5 | 177.8 | 72.6 | -28.2 | 0 | 0 | 0 | 113.9 | R675 T676 C692 S696 | R675-D694 WeakPolarHBondContact CB-OD2 3.39Å; R675-D694 WeakPolarHBondContact CD-OD2 3.49Å; R675-D694 IonicContact NE-OD2 3.4Å; T676-D694 HydrophobicContact CG2-CB 3.73Å; C692-D694 PolarHBondContact O-N 2.95Å; D694-S696 PolarHBondContact O-N 3.24Å; D694-S696 WeakPolarHBondContact OD1-CB 3.44Å; D694-S696 PolarHBondContact OD1-N 2.95Å; D694-S696 VanDerWaalsContact OD1-N 3.1Å; D694-S696 PolarHBondContact OD1-OG 2.88Å; D694-S696 WeakPolarHBondContact OD2-CB 3.4Å; D694-S696 PolarHBondContact OD2-OG 3.4Å |
| 695 | K | 76.2 | Confident | 73.4 | Confident | 147 Ų | 147 | 52.8 Ų | 52.8 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | trans | 57.5 | 27.1 | -172.6 | -39.1 | -159 | 171.8 | -168.1 | 0 | 114.5 | A690 C692 D697 G699 | A690-K695 HydrophobicContact CB-CB 3.79Å; A690-K695 HydrophobicContact CB-CD 3.79Å; A690-K695 HydrophobicContact CB-CG 3.52Å; C692-K695 PolarHBondContact O-N 2.75Å; K695-D697 VanDerWaalsContact C-N 3.28Å; K695-D697 VanDerWaalsContact CA-OD1 3.31Å; K695-D697 WeakPolarHBondContact CA-OD1 3.49Å; K695-D697 PolarHBondContact O-N 2.6Å; K695-G699 PolarHBondContact O-N 2.81Å | ||
| 696 | S | 76.9 | Confident | 73 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | trans | -68.8 | -26.2 | -176.8 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | R675 D694 G699 S701 F702 | R675-S696 WeakPolarHBondContact CB-OG 3.32Å; R675-S696 PolarHBondContact N-OG 2.84Å; D694-S696 PolarHBondContact O-N 3.24Å; D694-S696 WeakPolarHBondContact OD1-CB 3.44Å; D694-S696 PolarHBondContact OD1-N 2.95Å; D694-S696 VanDerWaalsContact OD1-N 3.1Å; D694-S696 PolarHBondContact OD1-OG 2.88Å; D694-S696 WeakPolarHBondContact OD2-CB 3.4Å; D694-S696 PolarHBondContact OD2-OG 3.4Å; S696-G699 PolarHBondContact O-N 2.87Å; S696-S701 PolarHBondContact O-OG 2.82Å; S696-F702 WeakPolarHBondContact O-CD2 3.41Å; S696-F702 VanDerWaalsContact O-CE2 3.27Å; S696-F702 WeakPolarHBondContact O-CE2 3.48Å | ||
| 697 | D | 81.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -59.7 | -51.3 | 171.8 | 44.2 | -0.3 | 0 | 0 | 0 | 113.4 | I680 C686 D691 C692 K695 G699 | I680-D697 HydrophobicContact CD1-CB 3.87Å; C686-D697 PolarHBondContact SG-O 3.27Å; D691-D697 PolarHBondContact N-OD2 3.16Å; C692-D697 HydrophobicContact CB-CB 4.27Å; C692-D697 PolarHBondContact N-OD2 2.91Å; C692-D697 VanDerWaalsContact SG-CG 3.59Å; K695-D697 VanDerWaalsContact C-N 3.28Å; K695-D697 VanDerWaalsContact CA-OD1 3.31Å; K695-D697 WeakPolarHBondContact CA-OD1 3.49Å; K695-D697 PolarHBondContact O-N 2.6Å; D697-G699 PolarHBondContact O-N 2.92Å |
| 698 | E | 78 | Confident | 73.2 | Confident | 65 Ų | 65 | 48 Ų | 48 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -78.3 | 5.1 | 176.1 | -66.2 | -63.9 | 129.9 | 0 | 0 | 112.7 | C686 D687 G688 K689 | C686-E698 WeakPolarHBondContact CA-OE1 3.4Å; C686-E698 PolarHBondContact N-OE1 2.92Å; D687-E698 PolarHBondContact N-OE1 2.69Å; G688-E698 VanDerWaalsContact CA-OE2 3.26Å; G688-E698 WeakPolarHBondContact CA-OE2 3.01Å; G688-E698 VanDerWaalsContact N-CD 3.34Å; G688-E698 PolarHBondContact N-OE1 2.69Å; G688-E698 PolarHBondContact N-OE2 3.08Å; K689-E698 VanDerWaalsContact O-CG 3.26Å; K689-E698 WeakPolarHBondContact O-CG 3.26Å |
| 699 | G | 72.1 | Confident | 73.8 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -83.1 | 160.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K695 S696 D697 S701 F702 C703 | K695-G699 PolarHBondContact O-N 2.81Å; S696-G699 PolarHBondContact O-N 2.87Å; D697-G699 PolarHBondContact O-N 2.92Å; G699-S701 PolarHBondContact O-N 2.65Å; G699-F702 PolarHBondContact O-N 3.32Å; G699-C703 PolarHBondContact O-N 2.94Å; G699-C703 VanDerWaalsContact O-N 3.12Å |
| 700 | S | 66.5 | Low | 73.8 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 51% | 0.51 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.8 | -17.2 | 169.2 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | F702 | S700-F702 PolarHBondContact O-N 2.77Å |
| 701 | S | 67.7 | Low | 73.6 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -15.6 | 168.7 | 33.8 | 0 | 0 | 0 | 0 | 115.2 | Y642 R675 S696 G699 | Y642-S701 WeakPolarHBondContact CE2-O 3.42Å; R675-S701 PolarHBondContact NH2-OG 3.24Å; R675-S701 VanDerWaalsContact NH2-OG 3.16Å; S696-S701 PolarHBondContact O-OG 2.82Å; G699-S701 PolarHBondContact O-N 2.65Å |
| 702 | F | 75.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -127.8 | -47.7 | 170.4 | -64.6 | -107.5 | 0 | 0 | 0 | 112.2 | F588 S639 V641 I685 S696 G699 S700 N704 A705 I729 | F588-F702 HydrophobicContact CE2-CE2 4.06Å; F588-F702 AromaticContact CE2-CZ 3.88Å; F588-F702 HydrophobicContact CE2-CZ 3.88Å; F588-F702 HydrophobicContact CZ-CD2 4.42Å; F588-F702 AromaticContact CZ-CE2 3.58Å; F588-F702 HydrophobicContact CZ-CE2 3.58Å; F588-F702 AromaticContact CZ-CZ 3.87Å; F588-F702 HydrophobicContact CZ-CZ 3.87Å; S639-F702 VanDerWaalsContact OG-CD1 3.32Å; S639-F702 WeakPolarHBondContact OG-CD1 3.13Å; S639-F702 WeakPolarHBondContact OG-CE1 3.43Å; S639-F702 WeakPolarHBondContact OG-CZ 3.31Å; V641-F702 HydrophobicContact CG2-CD1 3.76Å; V641-F702 HydrophobicContact CG2-CE1 4.22Å; I685-F702 HydrophobicContact CD1-CD1 3.84Å; I685-F702 HydrophobicContact CD1-CE1 3.91Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 4.27Å; I685-F702 HydrophobicContact CG2-CB 3.49Å; I685-F702 VanDerWaalsContact CG2-CB 3.49Å; I685-F702 HydrophobicContact CG2-CD1 3.6Å; I685-F702 HydrophobicContact CG2-CG 3.83Å; S696-F702 WeakPolarHBondContact O-CD2 3.41Å; S696-F702 VanDerWaalsContact O-CE2 3.27Å; S696-F702 WeakPolarHBondContact O-CE2 3.48Å; G699-F702 PolarHBondContact O-N 3.32Å; S700-F702 PolarHBondContact O-N 2.77Å; F702-N704 PolarHBondContact O-N 3.07Å; F702-N704 VanDerWaalsContact O-N 3.17Å; F702-A705 WeakPolarHBondContact O-CB 3.44Å; F702-A705 PolarHBondContact O-N 2.71Å; F702-I729 WeakPolarHBondContact O-CD1 3.49Å |
| 703 | C | 70 | Confident | 72.8 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.1 | -23.6 | -167.6 | -49 | 0 | 0 | 0 | 0 | 114.1 | C686 G699 A705 | C686-C703 HydrophobicContact CB-CB 3.97Å; C686-C703 WeakPolarHBondContact CB-SG 3.41Å; C686-C703 WeakPolarHBondContact SG-CA 3.06Å; C686-C703 WeakPolarHBondContact SG-CB 3.25Å; C686-C703 PolarHBondContact SG-N 3.07Å; C686-C703 CovalentContact SG-SG 2.04Å; C686-C703 PolarHBondContact SG-SG 2.8Å; G699-C703 PolarHBondContact O-N 2.94Å; G699-C703 VanDerWaalsContact O-N 3.12Å; C703-A705 VanDerWaalsContact C-N 3.25Å; C703-A705 PolarHBondContact O-N 2.72Å |
| 704 | N | 65.9 | Low | 72.7 | Confident | 115 Ų | 115 | 38.1 Ų | 38.1 | 62% | 0.615 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 8 | 175.9 | -62.8 | 22.6 | 0 | 0 | 0 | 113 | F702 G706 | F702-N704 PolarHBondContact O-N 3.07Å; F702-N704 VanDerWaalsContact O-N 3.17Å; N704-G706 VanDerWaalsContact C-N 3.25Å; N704-G706 PolarHBondContact O-N 3Å |
| 705 | A | 62.4 | Low | 72.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V641 Y642 F702 C703 L707 I729 R789 | V641-A705 HydrophobicContact CG1-CB 3.61Å; Y642-A705 HydrophobicContact CE1-CB 3.8Å; Y642-A705 HydrophobicContact CE2-CB 4.41Å; Y642-A705 WeakPolarHBondContact OH-CA 3.33Å; Y642-A705 PolarHBondContact OH-N 2.75Å; F702-A705 WeakPolarHBondContact O-CB 3.44Å; F702-A705 PolarHBondContact O-N 2.71Å; C703-A705 VanDerWaalsContact C-N 3.25Å; C703-A705 PolarHBondContact O-N 2.72Å; A705-L707 PolarHBondContact O-N 3.24Å; A705-I729 HydrophobicContact CB-CD1 4.01Å; A705-R789 PolarHBondContact O-NH2 2.81Å |
| 706 | G | 68.7 | Low | 72.5 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | trans | 71.3 | -62.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | N704 T728 I729 | N704-G706 VanDerWaalsContact C-N 3.25Å; N704-G706 PolarHBondContact O-N 3Å; G706-T728 WeakPolarHBondContact O-CA 3.3Å; G706-I729 PolarHBondContact O-N 3.02Å; G706-I729 VanDerWaalsContact O-N 3.1Å | ||
| 707 | L | 74.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.6 | 177.4 | -177.3 | 57 | 0 | 0 | 0 | 110.7 | A705 P736 C781 F783 R789 | A705-L707 PolarHBondContact O-N 3.24Å; L707-P736 HydrophobicContact CD1-CB 3.67Å; L707-P736 HydrophobicContact CD1-CG 4.15Å; L707-C781 HydrophobicContact CD2-CB 4.19Å; L707-C781 WeakPolarHBondContact CD2-O 3.44Å; L707-F783 HydrophobicContact CB-CD2 4.38Å; L707-F783 HydrophobicContact CB-CE2 3.89Å; L707-F783 HydrophobicContact CD1-CE2 4.09Å; L707-F783 HydrophobicContact CD1-CZ 4.19Å; L707-F783 HydrophobicContact CD2-CD2 4.23Å; L707-F783 HydrophobicContact CD2-CE2 4.26Å; L707-F783 HydrophobicContact CG-CE2 4.31Å; L707-R789 HydrophobicContact CB-CG 4.48Å; L707-R789 HydrophobicContact CG-CG 4.38Å |
| 708 | T | 73.6 | Confident | 71.7 | Confident | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.9 | 177.4 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | V641 C726 Q727 I729 | V641-T708 HydrophobicContact CG1-CG2 3.81Å; T708-C726 WeakPolarHBondContact O-CA 3.22Å; T708-Q727 PolarHBondContact N-O 3.1Å; T708-Q727 PolarHBondContact O-N 3.13Å; T708-Q727 PolarHBondContact OG1-O 2.78Å; T708-I729 HydrophobicContact CG2-CD1 3.68Å; T708-I729 HydrophobicContact CG2-CG1 3.58Å |
| 709 | V | 78.5 | Confident | 71.4 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 116.9 | -176.3 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | P711 T712 L724 K725 C781 R789 A791 | V709-P711 CarbonylContact O-C 3.52Å; V709-T712 WeakPolarHBondContact O-CG2 3.38Å; V709-T712 PolarHBondContact O-N 2.9Å; V709-L724 HydrophobicContact CG1-CD1 3.68Å; V709-L724 HydrophobicContact CG1-CG 4.35Å; V709-K725 WeakPolarHBondContact CA-O 3.45Å; V709-C781 HydrophobicContact CG2-CB 3.55Å; V709-C781 WeakPolarHBondContact CG2-SG 3.46Å; V709-R789 HydrophobicContact CB-CB 4.34Å; V709-R789 HydrophobicContact CG2-CB 3.35Å; V709-R789 HydrophobicContact CG2-CG 4.31Å; V709-A791 HydrophobicContact CG1-CB 3.82Å |
| 710 | I | 72.4 | Confident | 71.5 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 114.7 | -166.3 | -51 | 178 | 0 | 0 | 0 | 109.1 | T682 K725 | T682-I710 HydrophobicContact CG2-CD1 3.68Å; T682-I710 HydrophobicContact CG2-CG1 3.82Å; T682-I710 HydrophobicContact CG2-CG2 4.1Å; I710-K725 PolarHBondContact N-O 2.86Å; I710-K725 PolarHBondContact O-N 3.43Å |
| 711 | P | 70.7 | Confident | 72.2 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.156 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -77.6 | 152.9 | -5.4 | 35.8 | -39.4 | 0 | 0 | 0 | 112.7 | A669 V709 R713 I714 L724 | A669-P711 HydrophobicContact CB-CB 4Å; A669-P711 WeakPolarHBondContact O-CB 3.09Å; V709-P711 CarbonylContact O-C 3.52Å; P711-R713 PolarHBondContact O-N 2.86Å; P711-I714 HydrophobicContact CG-CD1 3.94Å; P711-I714 HydrophobicContact CG-CG1 3.45Å; P711-I714 VanDerWaalsContact CG-CG1 3.45Å; P711-L724 WeakPolarHBondContact O-CD1 3.39Å |
| 712 | T | 69.6 | Low | 73.2 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -73.3 | -14.7 | 174.3 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | N643 V709 A791 I792 | N643-T712 HydrophobicContact CB-CG2 4.32Å; V709-T712 WeakPolarHBondContact O-CG2 3.38Å; V709-T712 PolarHBondContact O-N 2.9Å; T712-A791 WeakPolarHBondContact O-CA 3.37Å; T712-I792 PolarHBondContact O-N 3.16Å |
| 713 | R | 74.4 | Confident | 73.6 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 46% | 0.464 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.7 | 174.9 | -171.2 | -179.3 | -175.7 | -172 | 3.3 | 110.5 | P711 V715 I792 N794 | P711-R713 PolarHBondContact O-N 2.86Å; R713-V715 HydrophobicContact CG-CG2 4.33Å; R713-I792 WeakPolarHBondContact CA-O 3.44Å; R713-N794 PolarHBondContact NE-OD1 3.05Å; R713-N794 VanDerWaalsContact NE-OD1 3.07Å; R713-N794 PolarHBondContact NH2-OD1 3.4Å |
| 714 | I | 76.1 | Confident | 74.4 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.2 | 174.3 | -61.1 | -177.1 | 0 | 0 | 0 | 106.9 | P711 V716 F722 L724 I792 I793 N794 | P711-I714 HydrophobicContact CG-CD1 3.94Å; P711-I714 HydrophobicContact CG-CG1 3.45Å; P711-I714 VanDerWaalsContact CG-CG1 3.45Å; I714-V716 HydrophobicContact CG2-CB 4.36Å; I714-V716 HydrophobicContact CG2-CG1 3.55Å; I714-V716 HydrophobicContact CG2-CG2 4.02Å; I714-F722 HydrophobicContact CD1-CB 4.46Å; I714-F722 HydrophobicContact CD1-CD2 3.44Å; I714-F722 VanDerWaalsContact CD1-CD2 3.44Å; I714-F722 HydrophobicContact CD1-CE2 3.9Å; I714-F722 HydrophobicContact CD1-CG 4.16Å; I714-F722 HydrophobicContact CG2-CB 4.1Å; I714-F722 HydrophobicContact CG2-CD1 4.27Å; I714-F722 HydrophobicContact CG2-CD2 4.22Å; I714-F722 HydrophobicContact CG2-CG 3.95Å; I714-L724 HydrophobicContact CD1-CB 4.12Å; I714-L724 HydrophobicContact CD1-CD1 4.24Å; I714-I792 PolarHBondContact N-O 3.48Å; I714-I792 VanDerWaalsContact O-O 3.13Å; I714-I793 HydrophobicContact CB-CB 4.35Å; I714-I793 HydrophobicContact CB-CG1 4.04Å; I714-I793 HydrophobicContact CB-CG2 4.14Å; I714-I793 HydrophobicContact CD1-CG1 4.15Å; I714-I793 HydrophobicContact CG1-CG1 4.44Å; I714-I793 HydrophobicContact CG2-CG2 3.97Å; I714-I793 CarbonylContact O-C 3.45Å; I714-I793 WeakPolarHBondContact O-CA 3.49Å; I714-N794 PolarHBondContact O-N 2.91Å |
| 715 | V | 75.9 | Confident | 75.2 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.5 | 171.2 | -173.2 | 0 | 0 | 0 | 0 | 106.1 | R713 N794 V796 | R713-V715 HydrophobicContact CG-CG2 4.33Å; V715-N794 WeakPolarHBondContact CA-O 3.45Å; V715-N794 HydrophobicContact CG1-CB 4.41Å; V715-N794 HydrophobicContact CG2-CB 4.3Å; V715-V796 HydrophobicContact CG1-CG2 4Å |
| 716 | V | 72.2 | Confident | 76.3 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.3 | -172.4 | -77.5 | 0 | 0 | 0 | 0 | 110.2 | I714 E720 F722 I793 N794 V795 V796 | I714-V716 HydrophobicContact CG2-CB 4.36Å; I714-V716 HydrophobicContact CG2-CG1 3.55Å; I714-V716 HydrophobicContact CG2-CG2 4.02Å; V716-E720 WeakPolarHBondContact CA-OE2 3.41Å; V716-E720 HydrophobicContact CB-CB 4.21Å; V716-E720 HydrophobicContact CB-CG 4.45Å; V716-E720 HydrophobicContact CG1-CG 4.3Å; V716-F722 HydrophobicContact CB-CD1 4.43Å; V716-F722 HydrophobicContact CG1-CB 4.11Å; V716-F722 HydrophobicContact CG1-CD1 3.99Å; V716-F722 HydrophobicContact CG1-CG 4.39Å; V716-F722 HydrophobicContact CG2-CD1 3.95Å; V716-F722 HydrophobicContact CG2-CE1 4.09Å; V716-I793 HydrophobicContact CG2-CG2 3.77Å; V716-N794 PolarHBondContact N-O 2.83Å; V716-N794 VanDerWaalsContact N-O 3.07Å; V716-V795 HydrophobicContact CG2-CG2 4.18Å; V716-V795 CarbonylContact O-C 3.6Å; V716-V795 WeakPolarHBondContact O-CA 3.5Å; V716-V796 PolarHBondContact O-N 3.05Å; V716-V796 VanDerWaalsContact O-N 3.16Å |
| 717 | K | 69.2 | Low | 76.9 | Confident | 138 Ų | 138 | 46.6 Ų | 46.6 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | trans | -72.2 | 162 | 169.7 | -63.5 | 166.2 | -176.5 | 169.9 | 0 | 110.2 | S719 E720 | K717-S719 PolarHBondContact O-N 2.79Å; K717-E720 HydrophobicContact CB-CB 4.01Å; K717-E720 WeakPolarHBondContact CB-OE2 3.46Å; K717-E720 WeakPolarHBondContact CG-OE2 3.35Å; K717-E720 PolarHBondContact N-OE2 2.71Å; K717-E720 WeakPolarHBondContact O-CB 3.31Å; K717-E720 PolarHBondContact O-N 2.81Å | ||
| 718 | P | 71.5 | Confident | 76.8 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 130 | 169 | -25.6 | 36.8 | 0 | 0 | 0 | 110.9 | E720 L770 A772 | P718-E720 PolarHBondContact O-N 3.17Å; P718-L770 CarbonylContact C-O 3.55Å; P718-L770 VanDerWaalsContact CA-O 3.28Å; P718-L770 WeakPolarHBondContact CA-O 3.31Å; P718-A772 HydrophobicContact CB-CB 4.17Å; P718-A772 HydrophobicContact CG-CB 3.64Å |
| 719 | S | 72.1 | Confident | 76.3 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 57% | 0.573 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 14.8 | -174.9 | -59.6 | 0 | 0 | 0 | 0 | 116.9 | K717 N768 L770 | K717-S719 PolarHBondContact O-N 2.79Å; S719-N768 WeakPolarHBondContact CA-O 3.44Å; S719-L770 PolarHBondContact N-O 3.46Å |
| 720 | E | 74.2 | Confident | 75.3 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | trans | -80.4 | 125.3 | 171.5 | -179.6 | 168.1 | -138.3 | 0 | 0 | 110.8 | V716 K717 P718 G769 | V716-E720 WeakPolarHBondContact CA-OE2 3.41Å; V716-E720 HydrophobicContact CB-CB 4.21Å; V716-E720 HydrophobicContact CB-CG 4.45Å; V716-E720 HydrophobicContact CG1-CG 4.3Å; K717-E720 HydrophobicContact CB-CB 4.01Å; K717-E720 WeakPolarHBondContact CB-OE2 3.46Å; K717-E720 WeakPolarHBondContact CG-OE2 3.35Å; K717-E720 PolarHBondContact N-OE2 2.71Å; K717-E720 WeakPolarHBondContact O-CB 3.31Å; K717-E720 PolarHBondContact O-N 2.81Å; P718-E720 PolarHBondContact O-N 3.17Å; E720-G769 WeakPolarHBondContact O-CA 3.49Å | ||
| 721 | P | 82.2 | Confident | 74.3 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | trans | -75.5 | 146.1 | -174.3 | 30.1 | -35.6 | 0 | 0 | 0 | 112.9 | A766 | P721-A766 VanDerWaalsContact CA-O 3.22Å; P721-A766 WeakPolarHBondContact CA-O 3.45Å; P721-A766 WeakPolarHBondContact CB-O 3.05Å | ||
| 722 | F | 87.2 | Confident | 73.4 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 10% | 0.101 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 170.2 | 179 | 63.4 | -95.8 | 0 | 0 | 0 | 112.9 | I714 V716 F753 A766 L770 I793 | I714-F722 HydrophobicContact CD1-CB 4.46Å; I714-F722 HydrophobicContact CD1-CD2 3.44Å; I714-F722 VanDerWaalsContact CD1-CD2 3.44Å; I714-F722 HydrophobicContact CD1-CE2 3.9Å; I714-F722 HydrophobicContact CD1-CG 4.16Å; I714-F722 HydrophobicContact CG2-CB 4.1Å; I714-F722 HydrophobicContact CG2-CD1 4.27Å; I714-F722 HydrophobicContact CG2-CD2 4.22Å; I714-F722 HydrophobicContact CG2-CG 3.95Å; V716-F722 HydrophobicContact CB-CD1 4.43Å; V716-F722 HydrophobicContact CG1-CB 4.11Å; V716-F722 HydrophobicContact CG1-CD1 3.99Å; V716-F722 HydrophobicContact CG1-CG 4.39Å; V716-F722 HydrophobicContact CG2-CD1 3.95Å; V716-F722 HydrophobicContact CG2-CE1 4.09Å; F722-F753 AromaticContact CE2-CE1 3.98Å; F722-F753 HydrophobicContact CE2-CE1 3.98Å; F722-F753 AromaticContact CZ-CE1 3.8Å; F722-F753 HydrophobicContact CZ-CE1 3.8Å; F722-F753 HydrophobicContact CZ-CZ 4.29Å; F722-A766 HydrophobicContact CD1-CB 3.89Å; F722-A766 HydrophobicContact CD2-CB 4.11Å; F722-A766 HydrophobicContact CE1-CB 3.54Å; F722-A766 HydrophobicContact CE2-CB 3.78Å; F722-A766 HydrophobicContact CG-CB 4.18Å; F722-A766 HydrophobicContact CZ-CB 3.48Å; F722-A766 VanDerWaalsContact CZ-CB 3.48Å; F722-A766 PolarHBondContact N-O 3.34Å; F722-A766 PolarHBondContact O-N 2.78Å; F722-L770 HydrophobicContact CE1-CD1 3.89Å; F722-L770 HydrophobicContact CE1-CG 3.97Å; F722-L770 HydrophobicContact CZ-CD1 3.79Å; F722-L770 HydrophobicContact CZ-CG 4.19Å; F722-I793 HydrophobicContact CE1-CG2 3.87Å; F722-I793 HydrophobicContact CE2-CG1 4.07Å; F722-I793 HydrophobicContact CE2-CG2 4.41Å; F722-I793 HydrophobicContact CZ-CG1 4.07Å; F722-I793 HydrophobicContact CZ-CG2 3.76Å |
| 723 | S | 84.2 | Confident | 72.7 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.8 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 112 | I764 | S723-I764 CarbonylContact C-O 3.27Å; S723-I764 VanDerWaalsContact CA-O 3.26Å; S723-I764 WeakPolarHBondContact CA-O 3Å |
| 724 | L | 86 | Confident | 72.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.4 | -178.3 | 177.5 | 67.7 | 0 | 0 | 0 | 109.1 | V709 P711 I714 I764 I779 A791 | V709-L724 HydrophobicContact CG1-CD1 3.68Å; V709-L724 HydrophobicContact CG1-CG 4.35Å; P711-L724 WeakPolarHBondContact O-CD1 3.39Å; I714-L724 HydrophobicContact CD1-CB 4.12Å; I714-L724 HydrophobicContact CD1-CD1 4.24Å; L724-I764 HydrophobicContact CB-CB 4.23Å; L724-I764 HydrophobicContact CD2-CD1 4.09Å; L724-I764 HydrophobicContact CG-CD1 4.45Å; L724-I764 PolarHBondContact N-O 3.35Å; L724-I764 WeakPolarHBondContact O-CB 3.36Å; L724-I764 PolarHBondContact O-N 2.82Å; L724-I779 HydrophobicContact CD2-CB 4.02Å; L724-I779 HydrophobicContact CD2-CD1 4.22Å; L724-I779 HydrophobicContact CD2-CG2 3.88Å; L724-A791 HydrophobicContact CD1-CB 3.57Å; L724-A791 HydrophobicContact CD2-CB 3.65Å; L724-A791 HydrophobicContact CG-CB 4.26Å |
| 725 | K | 83.2 | Confident | 72.2 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.2 | -177.4 | -173.7 | -176 | 58.3 | 162.8 | 0 | 110.6 | V709 I710 Q727 I761 L762 L763 | V709-K725 WeakPolarHBondContact CA-O 3.45Å; I710-K725 PolarHBondContact N-O 2.86Å; I710-K725 PolarHBondContact O-N 3.43Å; K725-Q727 VanDerWaalsContact CE-OE1 3.3Å; K725-Q727 HydrophobicContact CG-CB 4.47Å; K725-I761 HydrophobicContact CD-CG2 3.82Å; K725-I761 HydrophobicContact CG-CG2 3.66Å; K725-L762 WeakPolarHBondContact CA-O 3.43Å; K725-L763 HydrophobicContact CB-CD1 4.1Å |
| 726 | C | 86.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129 | 162.2 | -40.5 | 0 | 0 | 0 | 0 | 108.4 | T708 P736 I761 L762 C781 | T708-C726 WeakPolarHBondContact O-CA 3.22Å; C726-P736 HydrophobicContact CB-CB 4.03Å; C726-P736 HydrophobicContact CB-CG 3.68Å; C726-I761 WeakPolarHBondContact O-CA 3.41Å; C726-L762 HydrophobicContact CB-CB 4.1Å; C726-L762 HydrophobicContact CB-CD2 4.49Å; C726-L762 PolarHBondContact N-O 2.81Å; C726-L762 PolarHBondContact O-N 3.14Å; C726-C781 HydrophobicContact CB-CB 3.63Å; C726-C781 WeakPolarHBondContact CB-SG 3.4Å; C726-C781 WeakPolarHBondContact SG-CB 3.09Å; C726-C781 CovalentContact SG-SG 2.03Å; C726-C781 PolarHBondContact SG-SG 3.01Å |
| 727 | Q | 79.7 | Confident | 73.1 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.5 | -177.8 | 169.7 | 173.3 | -9.4 | 0 | 0 | 111.8 | T708 K725 G760 I761 | T708-Q727 PolarHBondContact N-O 3.1Å; T708-Q727 PolarHBondContact O-N 3.13Å; T708-Q727 PolarHBondContact OG1-O 2.78Å; K725-Q727 VanDerWaalsContact CE-OE1 3.3Å; K725-Q727 HydrophobicContact CG-CB 4.47Å; Q727-G760 WeakPolarHBondContact CA-O 3.35Å; Q727-I761 HydrophobicContact CB-CG1 4.2Å; Q727-I761 HydrophobicContact CG-CG1 3.99Å |
| 728 | T | 72.6 | Confident | 74 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.9 | 165.9 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | G706 L730 G760 | G706-T728 WeakPolarHBondContact O-CA 3.3Å; T728-L730 VanDerWaalsContact CG2-O 3.23Å; T728-L730 WeakPolarHBondContact CG2-O 3.45Å; T728-L730 PolarHBondContact OG1-N 2.82Å; T728-L730 VanDerWaalsContact OG1-N 3.14Å; T728-L730 PolarHBondContact OG1-O 3.45Å; T728-G760 WeakPolarHBondContact CG2-O 3.38Å; T728-G760 PolarHBondContact N-O 2.96Å; T728-G760 VanDerWaalsContact N-O 3.09Å |
| 729 | I | 64.2 | Low | 74.8 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -75.8 | -34.4 | 172.8 | -54.5 | -177.4 | 0 | 0 | 0 | 110.3 | C686 F702 A705 G706 T708 P731 | C686-I729 HydrophobicContact CB-CG2 4.21Å; F702-I729 WeakPolarHBondContact O-CD1 3.49Å; A705-I729 HydrophobicContact CB-CD1 4.01Å; G706-I729 PolarHBondContact O-N 3.02Å; G706-I729 VanDerWaalsContact O-N 3.1Å; T708-I729 HydrophobicContact CG2-CD1 3.68Å; T708-I729 HydrophobicContact CG2-CG1 3.58Å; I729-P731 WeakPolarHBondContact O-CD 3.4Å |
| 730 | L | 57.5 | Low | 75.4 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -83.7 | 121 | 176 | -65 | 173.2 | 0 | 0 | 0 | 109.8 | T728 | T728-L730 VanDerWaalsContact CG2-O 3.23Å; T728-L730 WeakPolarHBondContact CG2-O 3.45Å; T728-L730 PolarHBondContact OG1-N 2.82Å; T728-L730 VanDerWaalsContact OG1-N 3.14Å; T728-L730 PolarHBondContact OG1-O 3.45Å |
| 731 | P | 50.2 | Low | 75.5 | Confident | 119 Ų | 119 | 54 Ų | 54 | 77% | 0.773 | 30% | 0.303 | S | S | * | . | trans | -68.2 | 142 | -177.6 | -22.5 | 34.5 | 0 | 0 | 0 | 114.1 | I729 | I729-P731 WeakPolarHBondContact O-CD 3.4Š| ||
| 732 | G | 53.2 | Low | 75.1 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 66% | 0.66 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 95.4 | -13.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 733 | T | 54.2 | Low | 74.4 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 77% | 0.773 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -120.3 | -14.4 | -169.8 | 56.8 | 0 | 0 | 0 | 0 | 117.6 | ||
| 734 | R | 65 | Low | 73.9 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | trans | -138.9 | 135.7 | 178.5 | -57.9 | -169.4 | -56.6 | -177.7 | 4.8 | 112.5 | F783 E786 | R734-F783 HydrophobicContact CB-CD1 4.13Å; R734-F783 HydrophobicContact CB-CE1 3.55Å; R734-F783 HydrophobicContact CB-CZ 4.03Å; R734-E786 IonicContact CZ-OE1 3.42Å; R734-E786 IonicContact NH1-OE1 3.83Å; R734-E786 PolarHBondContact NH1-OE1 2.75Å; R734-E786 VanDerWaalsContact NH2-CD 3.29Å; R734-E786 IonicContact NH2-OE1 2.73Å; R734-E786 PolarHBondContact NH2-OE1 2.83Å; R734-E786 IonicContact NH2-OE2 2.72Å; R734-E786 PolarHBondContact NH2-OE2 2.89Å | ||
| 735 | M | 75.3 | Confident | 73.6 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | trans | -100.2 | 128.1 | 173 | -176.7 | 173 | -75.8 | 0 | 0 | 109.9 | R757 | M735-R757 HydrophobicContact CE-CB 3.87Å; M735-R757 HydrophobicContact CE-CG 4.26Å; M735-R757 HydrophobicContact SD-CB 4.11Å; M735-R757 HydrophobicContact SD-CG 3.81Å; M735-R757 PolarHBondContact SD-NH1 2.99Å | ||
| 736 | P | 79.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -77.2 | 151.9 | 177.2 | 29.8 | -32.5 | 0 | 0 | 0 | 111.8 | L707 C726 L762 F783 | L707-P736 HydrophobicContact CD1-CB 3.67Å; L707-P736 HydrophobicContact CD1-CG 4.15Å; C726-P736 HydrophobicContact CB-CB 4.03Å; C726-P736 HydrophobicContact CB-CG 3.68Å; P736-L762 HydrophobicContact CG-CB 3.93Å; P736-L762 WeakPolarHBondContact O-CD2 3.22Å; P736-F783 HydrophobicContact CB-CD1 4.44Å; P736-F783 HydrophobicContact CB-CE1 3.95Å; P736-F783 HydrophobicContact CB-CZ 4.27Å | ||
| 737 | H | 87.2 | Confident | 73.5 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 165.7 | 172.7 | -70.5 | -117.9 | 0 | 0 | 0 | 110.2 | C781 Y782 | H737-C781 CarbonylContact O-C 3.55Å; H737-C781 VanDerWaalsContact O-CA 3.27Å; H737-C781 WeakPolarHBondContact O-CA 3.43Å; H737-Y782 HydrophobicContact CB-CD1 4.19Å; H737-Y782 HydrophobicContact CB-CE1 3.74Å; H737-Y782 HydrophobicContact CB-CE2 4.25Å; H737-Y782 PolarHBondContact N-O 2.78Å; H737-Y782 PolarHBondContact O-N 2.94Å |
| 738 | A | 88.4 | Confident | 73.6 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 134.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V747 L762 I764 I779 E780 | A738-V747 HydrophobicContact CB-CG2 4.14Å; A738-V747 PolarHBondContact O-N 3.33Å; A738-L762 HydrophobicContact CB-CD2 3.75Å; A738-I764 HydrophobicContact CB-CD1 3.51Å; A738-I764 HydrophobicContact CB-CG1 4.46Å; A738-I779 HydrophobicContact CB-CG2 4.05Å; A738-E780 WeakPolarHBondContact CA-O 3.26Å |
| 739 | R | 88.3 | Confident | 74.1 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 29% | 0.287 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 163 | -179.3 | 69.4 | -177.3 | -174.5 | -148.4 | -5.7 | 112.3 | R745 I779 E780 Y782 | R739-R745 CarbonylContact C-O 3.58Å; R739-R745 VanDerWaalsContact CA-O 3.31Å; R739-R745 WeakPolarHBondContact CA-O 3.25Å; R739-R745 VanDerWaalsContact CB-O 3.3Å; R739-R745 WeakPolarHBondContact CB-O 3.3Å; R739-I779 WeakPolarHBondContact O-CA 3.37Å; R739-E780 HydrophobicContact CG-CG 3.81Å; R739-E780 IonicContact CZ-OE1 3.71Å; R739-E780 PolarHBondContact N-O 2.78Å; R739-E780 VanDerWaalsContact N-O 3.11Å; R739-E780 IonicContact NE-OE1 3.6Å; R739-E780 PolarHBondContact NE-OE1 2.83Å; R739-E780 IonicContact NH2-OE1 3.97Å; R739-E780 PolarHBondContact NH2-OE1 2.86Å; R739-E780 PolarHBondContact O-N 3.36Å; R739-Y782 HydrophobicContact CB-CE1 4.11Å; R739-Y782 HydrophobicContact CG-CD1 4.21Å; R739-Y782 HydrophobicContact CG-CE1 3.68Å |
| 740 | F | 84.1 | Confident | 74.9 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126 | 175.9 | -56.8 | -76.2 | 0 | 0 | 0 | 111.7 | Y742 S743 G744 R745 V747 D750 F753 T777 R778 I779 | F740-Y742 VanDerWaalsContact C-N 3.26Å; F740-Y742 PolarHBondContact O-N 2.79Å; F740-S743 WeakPolarHBondContact CB-OG 3.44Å; F740-S743 PolarHBondContact O-N 2.81Å; F740-G744 PolarHBondContact O-N 3.23Å; F740-R745 WeakPolarHBondContact CD2-O 3.02Å; F740-R745 PolarHBondContact N-O 2.84Å; F740-V747 HydrophobicContact CD1-CG2 4.44Å; F740-V747 HydrophobicContact CD2-CG2 4.45Å; F740-V747 HydrophobicContact CE1-CG2 4.1Å; F740-V747 HydrophobicContact CE2-CB 4.37Å; F740-V747 HydrophobicContact CE2-CG2 4.11Å; F740-V747 HydrophobicContact CZ-CB 4.25Å; F740-V747 HydrophobicContact CZ-CG1 4.17Å; F740-V747 HydrophobicContact CZ-CG2 3.92Å; F740-D750 HydrophobicContact CE2-CB 3.62Å; F740-D750 HydrophobicContact CZ-CB 3.76Å; F740-F753 HydrophobicContact CE1-CD2 4.3Å; F740-F753 AromaticContact CE1-CE2 3.54Å; F740-F753 HydrophobicContact CE1-CE2 3.54Å; F740-F753 AromaticContact CE1-CZ 3.8Å; F740-F753 HydrophobicContact CE1-CZ 3.8Å; F740-F753 AromaticContact CZ-CD2 3.75Å; F740-F753 HydrophobicContact CZ-CD2 3.75Å; F740-F753 AromaticContact CZ-CE2 3.4Å; F740-F753 HydrophobicContact CZ-CE2 3.4Å; F740-F753 VanDerWaalsContact CZ-CE2 3.4Å; F740-F753 HydrophobicContact CZ-CZ 4.1Å; F740-T777 HydrophobicContact CD1-CG2 3.88Å; F740-T777 HydrophobicContact CE1-CG2 3.98Å; F740-R778 WeakPolarHBondContact CA-O 3.39Å; F740-I779 HydrophobicContact CD1-CG1 3.82Å; F740-I779 HydrophobicContact CE1-CD1 4.03Å; F740-I779 HydrophobicContact CE1-CG1 3.83Å |
| 741 | V | 76.1 | Confident | 76 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34 | -174.9 | 173.4 | 0 | 0 | 0 | 0 | 113.1 | R778 E780 T790 | V741-R778 HydrophobicContact CB-CB 3.83Å; V741-R778 HydrophobicContact CG2-CB 3.77Å; V741-R778 PolarHBondContact N-O 2.81Å; V741-E780 HydrophobicContact CG2-CB 3.79Å; V741-E780 HydrophobicContact CG2-CG 3.8Å; V741-T790 HydrophobicContact CG2-CG2 4.07Å |
| 742 | Y | 74 | Confident | 77.4 | Confident | 154 Ų | 154 | 70.8 Ų | 70.8 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -24.7 | -175.6 | -70 | -70.7 | 0 | 0 | 0 | 115 | F740 D776 R778 | F740-Y742 VanDerWaalsContact C-N 3.26Å; F740-Y742 PolarHBondContact O-N 2.79Å; Y742-D776 WeakPolarHBondContact CE2-O 3.13Å; Y742-R778 HydrophobicContact CE2-CB 4.27Å; Y742-R778 HydrophobicContact CE2-CG 4.08Å; Y742-R778 PolarHBondContact OH-NE 2.74Å; Y742-R778 PolarHBondContact OH-NH2 3.07Å |
| 743 | S | 73.9 | Confident | 79 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 46% | 0.462 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -9.3 | -175.9 | 62.8 | 0 | 0 | 0 | 0 | 114 | F740 R745 | F740-S743 WeakPolarHBondContact CB-OG 3.44Å; F740-S743 PolarHBondContact O-N 2.81Å; S743-R745 PolarHBondContact O-N 2.96Å |
| 744 | G | 72.5 | Confident | 80.5 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | trans | 70.1 | -12.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F740 | F740-G744 PolarHBondContact O-N 3.23Š| ||
| 745 | R | 81.2 | Confident | 81.4 | Confident | 171 Ų | 171 | 64.2 Ų | 64.2 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | trans | -70.9 | 140.7 | -177.2 | -54.7 | -175.9 | -169.9 | -163.6 | 1.7 | 112.3 | R739 F740 S743 | R739-R745 CarbonylContact C-O 3.58Å; R739-R745 VanDerWaalsContact CA-O 3.31Å; R739-R745 WeakPolarHBondContact CA-O 3.25Å; R739-R745 VanDerWaalsContact CB-O 3.3Å; R739-R745 WeakPolarHBondContact CB-O 3.3Å; F740-R745 WeakPolarHBondContact CD2-O 3.02Å; F740-R745 PolarHBondContact N-O 2.84Å; S743-R745 PolarHBondContact O-N 2.96Å | ||
| 746 | D | 81.6 | Confident | 81.9 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 144.6 | 173.1 | -59.1 | -63.4 | 0 | 0 | 0 | 111.9 | E748 S749 | D746-E748 PolarHBondContact O-N 3.47Å; D746-S749 WeakPolarHBondContact O-CB 3.06Å; D746-S749 PolarHBondContact O-N 2.86Å; D746-S749 PolarHBondContact O-OG 2.93Å |
| 747 | V | 85.5 | Confident | 82 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -64 | -28.6 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | A738 F740 S749 D750 F753 I755 I764 I779 | A738-V747 HydrophobicContact CB-CG2 4.14Å; A738-V747 PolarHBondContact O-N 3.33Å; F740-V747 HydrophobicContact CD1-CG2 4.44Å; F740-V747 HydrophobicContact CD2-CG2 4.45Å; F740-V747 HydrophobicContact CE1-CG2 4.1Å; F740-V747 HydrophobicContact CE2-CB 4.37Å; F740-V747 HydrophobicContact CE2-CG2 4.11Å; F740-V747 HydrophobicContact CZ-CB 4.25Å; F740-V747 HydrophobicContact CZ-CG1 4.17Å; F740-V747 HydrophobicContact CZ-CG2 3.92Å; V747-S749 PolarHBondContact O-N 2.9Å; V747-D750 PolarHBondContact O-N 3.49Å; V747-F753 HydrophobicContact CG1-CB 3.61Å; V747-F753 HydrophobicContact CG1-CD1 3.9Å; V747-F753 HydrophobicContact CG1-CD2 4.04Å; V747-F753 HydrophobicContact CG1-CG 3.58Å; V747-I755 HydrophobicContact CB-CD1 4.33Å; V747-I755 HydrophobicContact CG1-CD1 4.35Å; V747-I764 HydrophobicContact CG1-CG2 3.79Å; V747-I779 HydrophobicContact CG1-CD1 4.46Å; V747-I779 HydrophobicContact CG2-CD1 4.03Å; V747-I779 HydrophobicContact CG2-CG1 4.04Å; V747-I779 HydrophobicContact CG2-CG2 3.83Å |
| 748 | E | 81.6 | Confident | 81.4 | Confident | 105 Ų | 105 | 69 Ų | 69 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -66.5 | -17.1 | 175.5 | -62.1 | 179.3 | 142.9 | 0 | 0 | 113.3 | D746 D750 I755 R757 | D746-E748 PolarHBondContact O-N 3.47Å; E748-D750 VanDerWaalsContact C-N 3.33Å; E748-I755 HydrophobicContact CG-CB 4.13Å; E748-I755 HydrophobicContact CG-CD1 3.42Å; E748-I755 VanDerWaalsContact CG-CD1 3.42Å; E748-I755 HydrophobicContact CG-CG1 3.75Å; E748-R757 IonicContact OE1-CZ 2.77Å; E748-R757 VanDerWaalsContact OE1-CZ 3.27Å; E748-R757 IonicContact OE1-NE 2.72Å; E748-R757 PolarHBondContact OE1-NE 3.19Å; E748-R757 IonicContact OE1-NH2 3.39Å; E748-R757 PolarHBondContact OE1-NH2 2.75Å; E748-R757 IonicContact OE2-CZ 3.17Å; E748-R757 IonicContact OE2-NH2 2.75Å; E748-R757 PolarHBondContact OE2-NH2 2.96Å |
| 749 | S | 81.9 | Confident | 80.3 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -82.8 | -6.8 | 175.4 | 74 | 0 | 0 | 0 | 0 | 114.1 | D746 V747 | D746-S749 WeakPolarHBondContact O-CB 3.06Å; D746-S749 PolarHBondContact O-N 2.86Å; D746-S749 PolarHBondContact O-OG 2.93Å; V747-S749 PolarHBondContact O-N 2.9Å |
| 750 | D | 81.2 | Confident | 79.4 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 16% | 0.16 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -110.2 | 110.6 | -177.9 | -170.7 | -46 | 0 | 0 | 0 | 110.7 | F740 V747 E748 R752 F753 | F740-D750 HydrophobicContact CE2-CB 3.62Å; F740-D750 HydrophobicContact CZ-CB 3.76Å; V747-D750 PolarHBondContact O-N 3.49Å; E748-D750 VanDerWaalsContact C-N 3.33Å; D750-R752 PolarHBondContact O-N 3.1Å; D750-R752 VanDerWaalsContact OD1-CB 3.24Å; D750-R752 WeakPolarHBondContact OD1-CB 3.38Å; D750-R752 VanDerWaalsContact OD1-CG 3.24Å; D750-R752 WeakPolarHBondContact OD1-CG 3.46Å; D750-R752 IonicContact OD1-CZ 3.45Å; D750-R752 PolarHBondContact OD1-N 2.81Å; D750-R752 VanDerWaalsContact OD1-N 3.08Å; D750-R752 IonicContact OD1-NE 3.48Å; D750-R752 PolarHBondContact OD1-NE 2.02Å; D750-R752 IonicContact OD1-NH2 2.96Å; D750-R752 IonicContact OD2-CZ 2.78Å; D750-R752 VanDerWaalsContact OD2-CZ 3.32Å; D750-R752 IonicContact OD2-NE 2.68Å; D750-R752 PolarHBondContact OD2-NE 2.87Å; D750-R752 IonicContact OD2-NH2 3.96Å; D750-R752 PolarHBondContact OD2-NH2 2.86Å; D750-F753 HydrophobicContact CB-CD2 4.11Å; D750-F753 PolarHBondContact O-N 2.84Å |
| 751 | P | 81 | Confident | 79.2 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 79% | 0.792 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 2.6 | -171.7 | 29.8 | -36.9 | 0 | 0 | 0 | 114.4 | ||
| 752 | R | 79.8 | Confident | 79.7 | Confident | 85 Ų | 85 | 71 Ų | 71 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.9 | 168.1 | -58.4 | 175.3 | -66.2 | 167.7 | 4.9 | 111.9 | D750 A766 L770 | D750-R752 PolarHBondContact O-N 3.1Å; D750-R752 VanDerWaalsContact OD1-CB 3.24Å; D750-R752 WeakPolarHBondContact OD1-CB 3.38Å; D750-R752 VanDerWaalsContact OD1-CG 3.24Å; D750-R752 WeakPolarHBondContact OD1-CG 3.46Å; D750-R752 IonicContact OD1-CZ 3.45Å; D750-R752 PolarHBondContact OD1-N 2.81Å; D750-R752 VanDerWaalsContact OD1-N 3.08Å; D750-R752 IonicContact OD1-NE 3.48Å; D750-R752 PolarHBondContact OD1-NE 2.02Å; D750-R752 IonicContact OD1-NH2 2.96Å; D750-R752 IonicContact OD2-CZ 2.78Å; D750-R752 VanDerWaalsContact OD2-CZ 3.32Å; D750-R752 IonicContact OD2-NE 2.68Å; D750-R752 PolarHBondContact OD2-NE 2.87Å; D750-R752 IonicContact OD2-NH2 3.96Å; D750-R752 PolarHBondContact OD2-NH2 2.86Å; R752-A766 WeakPolarHBondContact O-CA 3.07Å; R752-L770 HydrophobicContact CB-CD2 3.88Å; R752-L770 HydrophobicContact CG-CD2 4.42Å |
| 753 | F | 87.3 | Confident | 80.3 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | trans | -117.8 | 148 | -177.3 | -61.4 | -92.8 | 0 | 0 | 0 | 112.5 | F722 F740 V747 D750 I764 K765 A766 L770 I779 | F722-F753 AromaticContact CE2-CE1 3.98Å; F722-F753 HydrophobicContact CE2-CE1 3.98Å; F722-F753 AromaticContact CZ-CE1 3.8Å; F722-F753 HydrophobicContact CZ-CE1 3.8Å; F722-F753 HydrophobicContact CZ-CZ 4.29Å; F740-F753 HydrophobicContact CE1-CD2 4.3Å; F740-F753 AromaticContact CE1-CE2 3.54Å; F740-F753 HydrophobicContact CE1-CE2 3.54Å; F740-F753 AromaticContact CE1-CZ 3.8Å; F740-F753 HydrophobicContact CE1-CZ 3.8Å; F740-F753 AromaticContact CZ-CD2 3.75Å; F740-F753 HydrophobicContact CZ-CD2 3.75Å; F740-F753 AromaticContact CZ-CE2 3.4Å; F740-F753 HydrophobicContact CZ-CE2 3.4Å; F740-F753 VanDerWaalsContact CZ-CE2 3.4Å; F740-F753 HydrophobicContact CZ-CZ 4.1Å; V747-F753 HydrophobicContact CG1-CB 3.61Å; V747-F753 HydrophobicContact CG1-CD1 3.9Å; V747-F753 HydrophobicContact CG1-CD2 4.04Å; V747-F753 HydrophobicContact CG1-CG 3.58Å; D750-F753 HydrophobicContact CB-CD2 4.11Å; D750-F753 PolarHBondContact O-N 2.84Å; F753-I764 HydrophobicContact CB-CG2 4.48Å; F753-I764 HydrophobicContact CD1-CG2 3.56Å; F753-I764 HydrophobicContact CE1-CG2 4.19Å; F753-I764 HydrophobicContact CG-CG2 4.38Å; F753-K765 CarbonylContact C-O 3.49Å; F753-K765 VanDerWaalsContact CA-O 3.27Å; F753-K765 WeakPolarHBondContact CA-O 3.21Å; F753-A766 HydrophobicContact CD1-CB 3.9Å; F753-A766 HydrophobicContact CE1-CB 3.9Å; F753-L770 HydrophobicContact CE2-CD2 3.74Å; F753-L770 HydrophobicContact CZ-CD1 4Å; F753-L770 HydrophobicContact CZ-CD2 3.74Å; F753-L770 HydrophobicContact CZ-CG 4.32Å; F753-I779 HydrophobicContact CD1-CD1 4.4Å; F753-I779 HydrophobicContact CE1-CD1 3.64Å; F753-I779 HydrophobicContact CZ-CD1 3.85Å | ||
| 754 | I | 85.9 | Confident | 81.1 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 48% | 0.482 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.1 | 169.5 | -59.8 | -176.5 | 0 | 0 | 0 | 106.9 | K765 P767 | I754-K765 PolarHBondContact N-O 2.63Å; I754-K765 PolarHBondContact O-N 2.94Å; I754-P767 HydrophobicContact CD1-CG 3.83Å; I754-P767 HydrophobicContact CG1-CG 4.1Å |
| 755 | I | 84.5 | Confident | 81.7 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.1 | 174.7 | -62.8 | -154.7 | 0 | 0 | 0 | 110.4 | V747 E748 R757 L762 L763 I764 | V747-I755 HydrophobicContact CB-CD1 4.33Å; V747-I755 HydrophobicContact CG1-CD1 4.35Å; E748-I755 HydrophobicContact CG-CB 4.13Å; E748-I755 HydrophobicContact CG-CD1 3.42Å; E748-I755 VanDerWaalsContact CG-CD1 3.42Å; E748-I755 HydrophobicContact CG-CG1 3.75Å; I755-R757 HydrophobicContact CG2-CG 4Å; I755-L762 HydrophobicContact CD1-CD1 4.41Å; I755-L762 HydrophobicContact CD1-CD2 4.23Å; I755-L762 HydrophobicContact CD1-CG 4.42Å; I755-L762 HydrophobicContact CG2-CD1 3.4Å; I755-L762 VanDerWaalsContact CG2-CD1 3.4Å; I755-L762 HydrophobicContact CG2-CG 3.86Å; I755-L763 WeakPolarHBondContact CA-O 3.48Å; I755-I764 HydrophobicContact CD1-CG1 3.71Å; I755-I764 HydrophobicContact CG1-CG1 4.04Å |
| 756 | E | 84 | Confident | 82 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.1 | 165.8 | -77.6 | 165.1 | -154 | 0 | 0 | 109.5 | L763 K765 | E756-L763 HydrophobicContact CB-CB 4.24Å; E756-L763 PolarHBondContact N-O 3.35Å; E756-L763 PolarHBondContact O-N 3.1Å; E756-K765 WeakPolarHBondContact OE1-CE 3.23Å; E756-K765 IonicContact OE1-NZ 2.81Å; E756-K765 PolarHBondContact OE1-NZ 3.46Å; E756-K765 WeakPolarHBondContact OE2-CE 3.43Å; E756-K765 IonicContact OE2-NZ 2.77Å; E756-K765 PolarHBondContact OE2-NZ 2.87Å |
| 757 | R | 82.5 | Confident | 81.9 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.6 | -176.6 | -77.6 | 166.8 | -178.8 | -100 | 12.8 | 109.7 | M735 E748 I755 L762 | M735-R757 HydrophobicContact CE-CB 3.87Å; M735-R757 HydrophobicContact CE-CG 4.26Å; M735-R757 HydrophobicContact SD-CB 4.11Å; M735-R757 HydrophobicContact SD-CG 3.81Å; M735-R757 PolarHBondContact SD-NH1 2.99Å; E748-R757 IonicContact OE1-CZ 2.77Å; E748-R757 VanDerWaalsContact OE1-CZ 3.27Å; E748-R757 IonicContact OE1-NE 2.72Å; E748-R757 PolarHBondContact OE1-NE 3.19Å; E748-R757 IonicContact OE1-NH2 3.39Å; E748-R757 PolarHBondContact OE1-NH2 2.75Å; E748-R757 IonicContact OE2-CZ 3.17Å; E748-R757 IonicContact OE2-NH2 2.75Å; E748-R757 PolarHBondContact OE2-NH2 2.96Å; I755-R757 HydrophobicContact CG2-CG 4Å; R757-L762 HydrophobicContact CG-CD1 3.72Å |
| 758 | S | 73.6 | Confident | 81.6 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 163.6 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | G760 I761 | S758-G760 PolarHBondContact O-N 3.13Å; S758-I761 PolarHBondContact N-O 2.77Å; S758-I761 PolarHBondContact O-N 2.99Å; S758-I761 WeakPolarHBondContact OG-CB 3.17Å; S758-I761 PolarHBondContact OG-O 3.04Å; S758-I761 VanDerWaalsContact OG-O 3.07Å |
| 759 | P | 66.8 | Low | 81.7 | Confident | 122 Ų | 122 | 55.2 Ų | 55.2 | 79% | 0.792 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 110.7 | -172.1 | -28.2 | 37 | 0 | 0 | 0 | 113.2 | I761 | P759-I761 VanDerWaalsContact C-N 3.25Å; P759-I761 PolarHBondContact O-N 3.09Å |
| 760 | G | 69.4 | Low | 81.8 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 5.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q727 T728 S758 | Q727-G760 WeakPolarHBondContact CA-O 3.35Å; T728-G760 WeakPolarHBondContact CG2-O 3.38Å; T728-G760 PolarHBondContact N-O 2.96Å; T728-G760 VanDerWaalsContact N-O 3.09Å; S758-G760 PolarHBondContact O-N 3.13Å |
| 761 | I | 79.1 | Confident | 81.6 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 122 | -174.5 | -63.9 | 175.5 | 0 | 0 | 0 | 111 | K725 C726 Q727 S758 P759 | K725-I761 HydrophobicContact CD-CG2 3.82Å; K725-I761 HydrophobicContact CG-CG2 3.66Å; C726-I761 WeakPolarHBondContact O-CA 3.41Å; Q727-I761 HydrophobicContact CB-CG1 4.2Å; Q727-I761 HydrophobicContact CG-CG1 3.99Å; S758-I761 PolarHBondContact N-O 2.77Å; S758-I761 PolarHBondContact O-N 2.99Å; S758-I761 WeakPolarHBondContact OG-CB 3.17Å; S758-I761 PolarHBondContact OG-O 3.04Å; S758-I761 VanDerWaalsContact OG-O 3.07Å; P759-I761 VanDerWaalsContact C-N 3.25Å; P759-I761 PolarHBondContact O-N 3.09Å |
| 762 | L | 86.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.9 | 170.9 | -172.4 | 87.5 | 0 | 0 | 0 | 108.4 | K725 C726 P736 A738 I755 R757 I764 | K725-L762 WeakPolarHBondContact CA-O 3.43Å; C726-L762 HydrophobicContact CB-CB 4.1Å; C726-L762 HydrophobicContact CB-CD2 4.49Å; C726-L762 PolarHBondContact N-O 2.81Å; C726-L762 PolarHBondContact O-N 3.14Å; P736-L762 HydrophobicContact CG-CB 3.93Å; P736-L762 WeakPolarHBondContact O-CD2 3.22Å; A738-L762 HydrophobicContact CB-CD2 3.75Å; I755-L762 HydrophobicContact CD1-CD1 4.41Å; I755-L762 HydrophobicContact CD1-CD2 4.23Å; I755-L762 HydrophobicContact CD1-CG 4.42Å; I755-L762 HydrophobicContact CG2-CD1 3.4Å; I755-L762 VanDerWaalsContact CG2-CD1 3.4Å; I755-L762 HydrophobicContact CG2-CG 3.86Å; R757-L762 HydrophobicContact CG-CD1 3.72Å; L762-I764 HydrophobicContact CD2-CD1 4.14Å; L762-I764 HydrophobicContact CD2-CG1 4.21Å |
| 763 | L | 87.4 | Confident | 80.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 103.2 | -177.6 | -178.9 | 61.5 | 0 | 0 | 0 | 110.5 | K725 I755 E756 K765 | K725-L763 HydrophobicContact CB-CD1 4.1Å; I755-L763 WeakPolarHBondContact CA-O 3.48Å; E756-L763 HydrophobicContact CB-CB 4.24Å; E756-L763 PolarHBondContact N-O 3.35Å; E756-L763 PolarHBondContact O-N 3.1Å; L763-K765 VanDerWaalsContact CD2-CE 3.47Å; L763-K765 HydrophobicContact CG-CG 4.32Å |
| 764 | I | 90.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.4 | 178.8 | -61.3 | 152.4 | 0 | 0 | 0 | 108.3 | S723 L724 A738 V747 F753 I755 L762 I779 | S723-I764 CarbonylContact C-O 3.27Å; S723-I764 VanDerWaalsContact CA-O 3.26Å; S723-I764 WeakPolarHBondContact CA-O 3Å; L724-I764 HydrophobicContact CB-CB 4.23Å; L724-I764 HydrophobicContact CD2-CD1 4.09Å; L724-I764 HydrophobicContact CG-CD1 4.45Å; L724-I764 PolarHBondContact N-O 3.35Å; L724-I764 WeakPolarHBondContact O-CB 3.36Å; L724-I764 PolarHBondContact O-N 2.82Å; A738-I764 HydrophobicContact CB-CD1 3.51Å; A738-I764 HydrophobicContact CB-CG1 4.46Å; V747-I764 HydrophobicContact CG1-CG2 3.79Å; F753-I764 HydrophobicContact CB-CG2 4.48Å; F753-I764 HydrophobicContact CD1-CG2 3.56Å; F753-I764 HydrophobicContact CE1-CG2 4.19Å; F753-I764 HydrophobicContact CG-CG2 4.38Å; I755-I764 HydrophobicContact CD1-CG1 3.71Å; I755-I764 HydrophobicContact CG1-CG1 4.04Å; L762-I764 HydrophobicContact CD2-CD1 4.14Å; L762-I764 HydrophobicContact CD2-CG1 4.21Å; I764-I779 HydrophobicContact CD1-CG2 4.2Å; I764-I779 HydrophobicContact CG2-CD1 4.46Å |
| 765 | K | 85.8 | Confident | 79.1 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.2 | 175.6 | -60.5 | -179.2 | -176.5 | 173.3 | 0 | 109.5 | F753 I754 E756 L763 P767 | F753-K765 CarbonylContact C-O 3.49Å; F753-K765 VanDerWaalsContact CA-O 3.27Å; F753-K765 WeakPolarHBondContact CA-O 3.21Å; I754-K765 PolarHBondContact N-O 2.63Å; I754-K765 PolarHBondContact O-N 2.94Å; E756-K765 WeakPolarHBondContact OE1-CE 3.23Å; E756-K765 IonicContact OE1-NZ 2.81Å; E756-K765 PolarHBondContact OE1-NZ 3.46Å; E756-K765 WeakPolarHBondContact OE2-CE 3.43Å; E756-K765 IonicContact OE2-NZ 2.77Å; E756-K765 PolarHBondContact OE2-NZ 2.87Å; L763-K765 VanDerWaalsContact CD2-CE 3.47Å; L763-K765 HydrophobicContact CG-CG 4.32Å; K765-P767 VanDerWaalsContact O-CD 3.22Å; K765-P767 WeakPolarHBondContact O-CD 3.44Å |
| 766 | A | 87.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 80.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P721 F722 R752 F753 N768 G769 | P721-A766 VanDerWaalsContact CA-O 3.22Å; P721-A766 WeakPolarHBondContact CA-O 3.45Å; P721-A766 WeakPolarHBondContact CB-O 3.05Å; F722-A766 HydrophobicContact CD1-CB 3.89Å; F722-A766 HydrophobicContact CD2-CB 4.11Å; F722-A766 HydrophobicContact CE1-CB 3.54Å; F722-A766 HydrophobicContact CE2-CB 3.78Å; F722-A766 HydrophobicContact CG-CB 4.18Å; F722-A766 HydrophobicContact CZ-CB 3.48Å; F722-A766 VanDerWaalsContact CZ-CB 3.48Å; F722-A766 PolarHBondContact N-O 3.34Å; F722-A766 PolarHBondContact O-N 2.78Å; R752-A766 WeakPolarHBondContact O-CA 3.07Å; F753-A766 HydrophobicContact CD1-CB 3.9Å; F753-A766 HydrophobicContact CE1-CB 3.9Å; A766-N768 PolarHBondContact O-N 3.32Å; A766-G769 PolarHBondContact O-N 2.96Å |
| 767 | P | 78.7 | Confident | 78.4 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.3 | -169.7 | 29.9 | -38.6 | 0 | 0 | 0 | 114.1 | I754 K765 | I754-P767 HydrophobicContact CD1-CG 3.83Å; I754-P767 HydrophobicContact CG1-CG 4.1Å; K765-P767 VanDerWaalsContact O-CD 3.22Å; K765-P767 WeakPolarHBondContact O-CD 3.44Å |
| 768 | N | 79.8 | Confident | 78.5 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 9 | 176.3 | -60.8 | -42.7 | 0 | 0 | 0 | 112.4 | S719 A766 | S719-N768 WeakPolarHBondContact CA-O 3.44Å; A766-N768 PolarHBondContact O-N 3.32Å |
| 769 | G | 83.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | 58 | -151.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E720 A766 | E720-G769 WeakPolarHBondContact O-CA 3.49Å; A766-G769 PolarHBondContact O-N 2.96Å | ||
| 770 | L | 83.8 | Confident | 80 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | trans | -137.3 | 155.4 | -177.4 | -66 | 176.8 | 0 | 0 | 0 | 111.2 | P718 S719 F722 R752 F753 A774 T777 I793 V795 | P718-L770 CarbonylContact C-O 3.55Å; P718-L770 VanDerWaalsContact CA-O 3.28Å; P718-L770 WeakPolarHBondContact CA-O 3.31Å; S719-L770 PolarHBondContact N-O 3.46Å; F722-L770 HydrophobicContact CE1-CD1 3.89Å; F722-L770 HydrophobicContact CE1-CG 3.97Å; F722-L770 HydrophobicContact CZ-CD1 3.79Å; F722-L770 HydrophobicContact CZ-CG 4.19Å; R752-L770 HydrophobicContact CB-CD2 3.88Å; R752-L770 HydrophobicContact CG-CD2 4.42Å; F753-L770 HydrophobicContact CE2-CD2 3.74Å; F753-L770 HydrophobicContact CZ-CD1 4Å; F753-L770 HydrophobicContact CZ-CD2 3.74Å; F753-L770 HydrophobicContact CZ-CG 4.32Å; L770-A774 HydrophobicContact CB-CB 4.17Å; L770-T777 HydrophobicContact CD1-CG2 4.3Å; L770-I793 HydrophobicContact CD1-CG2 4.12Å; L770-V795 HydrophobicContact CB-CB 4.44Å; L770-V795 HydrophobicContact CB-CG1 4.02Å; L770-V795 HydrophobicContact CB-CG2 3.63Å; L770-V795 HydrophobicContact CD1-CG2 3.51Å; L770-V795 HydrophobicContact CG-CG2 4.18Å; L770-V795 WeakPolarHBondContact O-CG1 3.3Å | ||
| 771 | S | 77.3 | Confident | 80.8 | Confident | 46 Ų | 46 | 36.8 Ų | 36.8 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | trans | -64.9 | 153 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | E773 A774 V795 | S771-E773 WeakPolarHBondContact CB-OE2 3.11Å; S771-E773 PolarHBondContact O-N 2.9Å; S771-E773 VanDerWaalsContact O-N 3.15Å; S771-E773 PolarHBondContact OG-N 3.31Å; S771-E773 PolarHBondContact OG-OE2 3.12Å; S771-A774 WeakPolarHBondContact O-CA 3.22Å; S771-A774 VanDerWaalsContact O-CB 3.32Å; S771-A774 WeakPolarHBondContact O-CB 3.38Å; S771-A774 PolarHBondContact O-N 2.7Å; S771-V795 VanDerWaalsContact O-CG1 3.32Å; S771-V795 WeakPolarHBondContact O-CG1 3.33Å | ||
| 772 | A | 64.4 | Low | 81 | Confident | 31 Ų | 31 | 36 Ų | 36 | 26% | 0.256 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -52.1 | -31 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | P718 A774 N775 P797 | P718-A772 HydrophobicContact CB-CB 4.17Å; P718-A772 HydrophobicContact CG-CB 3.64Å; A772-A774 PolarHBondContact O-N 2.8Å; A772-N775 PolarHBondContact O-N 2.85Å; A772-P797 HydrophobicContact CB-CB 3.97Å; A772-P797 HydrophobicContact CB-CG 4.06Å |
| 773 | E | 69.7 | Low | 80.5 | Confident | 184 Ų | 184 | 36.2 Ų | 36.2 | 86% | 0.86 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -67.4 | -15.8 | 177.1 | -60.4 | 150.3 | 135 | 0 | 0 | 112.7 | S771 | S771-E773 WeakPolarHBondContact CB-OE2 3.11Å; S771-E773 PolarHBondContact O-N 2.9Å; S771-E773 VanDerWaalsContact O-N 3.15Å; S771-E773 PolarHBondContact OG-N 3.31Å; S771-E773 PolarHBondContact OG-OE2 3.12Å |
| 774 | A | 74 | Confident | 79.3 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -97.6 | 23.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L770 S771 A772 T777 V795 | L770-A774 HydrophobicContact CB-CB 4.17Å; S771-A774 WeakPolarHBondContact O-CA 3.22Å; S771-A774 VanDerWaalsContact O-CB 3.32Å; S771-A774 WeakPolarHBondContact O-CB 3.38Å; S771-A774 PolarHBondContact O-N 2.7Å; A772-A774 PolarHBondContact O-N 2.8Å; A774-T777 WeakPolarHBondContact O-CB 3.31Å; A774-T777 PolarHBondContact O-N 2.73Å; A774-T777 PolarHBondContact O-OG1 3.26Å; A774-V795 VanDerWaalsContact O-CG2 3.25Å; A774-V795 WeakPolarHBondContact O-CG2 3.37Å |
| 775 | N | 72.7 | Confident | 77.8 | Confident | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 147.1 | 169.3 | -168.2 | 17.4 | 0 | 0 | 0 | 111 | A772 T777 V795 P797 | A772-N775 PolarHBondContact O-N 2.85Å; N775-T777 PolarHBondContact O-N 2.75Å; N775-V795 WeakPolarHBondContact CA-O 3.49Å; N775-V795 WeakPolarHBondContact CB-O 3.49Å; N775-V795 PolarHBondContact OD1-N 2.89Å; N775-V795 PolarHBondContact OD1-O 2.57Å; N775-P797 HydrophobicContact CB-CG 4.42Å |
| 776 | D | 74.5 | Confident | 76.7 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.8 | -173.4 | -158.3 | 13.2 | 0 | 0 | 0 | 113.1 | Y742 R778 I792 I793 | Y742-D776 WeakPolarHBondContact CE2-O 3.13Å; D776-R778 VanDerWaalsContact CG-NH2 3.34Å; D776-R778 PolarHBondContact O-N 2.8Å; D776-R778 IonicContact OD1-CZ 2.9Å; D776-R778 IonicContact OD1-NE 3.39Å; D776-R778 PolarHBondContact OD1-NE 2.75Å; D776-R778 IonicContact OD1-NH2 3.99Å; D776-R778 PolarHBondContact OD1-NH2 3.35Å; D776-R778 IonicContact OD2-CZ 2.67Å; D776-R778 IonicContact OD2-NE 3.27Å; D776-R778 PolarHBondContact OD2-NE 2.97Å; D776-R778 IonicContact OD2-NH2 3.12Å; D776-R778 PolarHBondContact OD2-NH2 3.46Å; D776-I792 WeakPolarHBondContact OD1-CG2 3.41Å; D776-I793 PolarHBondContact N-O 3.29Å |
| 777 | T | 80.5 | Confident | 75.7 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 121.3 | 166.7 | -72 | 0 | 0 | 0 | 0 | 108 | F740 L770 A774 N775 I779 I793 | F740-T777 HydrophobicContact CD1-CG2 3.88Å; F740-T777 HydrophobicContact CE1-CG2 3.98Å; L770-T777 HydrophobicContact CD1-CG2 4.3Å; A774-T777 WeakPolarHBondContact O-CB 3.31Å; A774-T777 PolarHBondContact O-N 2.73Å; A774-T777 PolarHBondContact O-OG1 3.26Å; N775-T777 PolarHBondContact O-N 2.75Å; T777-I779 HydrophobicContact CG2-CG1 4.44Å; T777-I793 HydrophobicContact CG2-CD1 4.3Å; T777-I793 PolarHBondContact N-O 2.93Å; T777-I793 VanDerWaalsContact N-O 3.07Å; T777-I793 WeakPolarHBondContact O-CA 3.42Å; T777-I793 WeakPolarHBondContact O-CB 3.19Å; T777-I793 VanDerWaalsContact O-CD1 3.25Å; T777-I793 WeakPolarHBondContact O-CD1 3.49Å; T777-I793 PolarHBondContact O-N 2.9Å |
| 778 | R | 84 | Confident | 75.7 | Confident | 29 Ų | 29 | 40.9 Ų | 40.9 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.7 | 179.9 | -68.1 | 174.1 | -166.4 | -170.3 | 6.5 | 109.5 | Y662 F740 V741 Y742 D776 T790 A791 I792 | Y662-R778 PolarHBondContact OH-NH1 2.9Å; F740-R778 WeakPolarHBondContact CA-O 3.39Å; V741-R778 HydrophobicContact CB-CB 3.83Å; V741-R778 HydrophobicContact CG2-CB 3.77Å; V741-R778 PolarHBondContact N-O 2.81Å; Y742-R778 HydrophobicContact CE2-CB 4.27Å; Y742-R778 HydrophobicContact CE2-CG 4.08Å; Y742-R778 PolarHBondContact OH-NE 2.74Å; Y742-R778 PolarHBondContact OH-NH2 3.07Å; D776-R778 VanDerWaalsContact CG-NH2 3.34Å; D776-R778 PolarHBondContact O-N 2.8Å; D776-R778 IonicContact OD1-CZ 2.9Å; D776-R778 IonicContact OD1-NE 3.39Å; D776-R778 PolarHBondContact OD1-NE 2.75Å; D776-R778 IonicContact OD1-NH2 3.99Å; D776-R778 PolarHBondContact OD1-NH2 3.35Å; D776-R778 IonicContact OD2-CZ 2.67Å; D776-R778 IonicContact OD2-NE 3.27Å; D776-R778 PolarHBondContact OD2-NE 2.97Å; D776-R778 IonicContact OD2-NH2 3.12Å; D776-R778 PolarHBondContact OD2-NH2 3.46Å; R778-T790 HydrophobicContact CB-CG2 3.99Å; R778-T790 HydrophobicContact CG-CG2 4.39Å; R778-A791 WeakPolarHBondContact CA-O 3.47Å; R778-I792 HydrophobicContact CG-CG1 4.38Å |
| 779 | I | 86.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.6 | 174 | -67 | 174.9 | 0 | 0 | 0 | 107.3 | L724 A738 R739 F740 V747 F753 I764 T777 T790 A791 I793 | L724-I779 HydrophobicContact CD2-CB 4.02Å; L724-I779 HydrophobicContact CD2-CD1 4.22Å; L724-I779 HydrophobicContact CD2-CG2 3.88Å; A738-I779 HydrophobicContact CB-CG2 4.05Å; R739-I779 WeakPolarHBondContact O-CA 3.37Å; F740-I779 HydrophobicContact CD1-CG1 3.82Å; F740-I779 HydrophobicContact CE1-CD1 4.03Å; F740-I779 HydrophobicContact CE1-CG1 3.83Å; V747-I779 HydrophobicContact CG1-CD1 4.46Å; V747-I779 HydrophobicContact CG2-CD1 4.03Å; V747-I779 HydrophobicContact CG2-CG1 4.04Å; V747-I779 HydrophobicContact CG2-CG2 3.83Å; F753-I779 HydrophobicContact CD1-CD1 4.4Å; F753-I779 HydrophobicContact CE1-CD1 3.64Å; F753-I779 HydrophobicContact CZ-CD1 3.85Å; I764-I779 HydrophobicContact CD1-CG2 4.2Å; I764-I779 HydrophobicContact CG2-CD1 4.46Å; T777-I779 HydrophobicContact CG2-CG1 4.44Å; I779-T790 WeakPolarHBondContact O-CA 3.4Å; I779-A791 PolarHBondContact N-O 3.33Å; I779-A791 PolarHBondContact O-N 2.7Å; I779-I793 HydrophobicContact CB-CD1 4.1Å; I779-I793 HydrophobicContact CD1-CD1 3.79Å; I779-I793 HydrophobicContact CG1-CD1 3.78Å |
| 780 | E | 84.5 | Confident | 75.5 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.2 | 170.2 | 61.6 | -177.2 | -179.7 | 0 | 0 | 110.9 | R646 A738 R739 V741 P788 R789 | R646-E780 IonicContact CZ-OE2 3.81Å; R646-E780 IonicContact NE-OE2 2.81Å; R646-E780 PolarHBondContact NE-OE2 2.96Å; R646-E780 IonicContact NH2-OE1 2.73Å; R646-E780 PolarHBondContact NH2-OE1 2.92Å; R646-E780 IonicContact NH2-OE2 3.44Å; R646-E780 PolarHBondContact NH2-OE2 3.32Å; A738-E780 WeakPolarHBondContact CA-O 3.26Å; R739-E780 HydrophobicContact CG-CG 3.81Å; R739-E780 IonicContact CZ-OE1 3.71Å; R739-E780 PolarHBondContact N-O 2.78Å; R739-E780 VanDerWaalsContact N-O 3.11Å; R739-E780 IonicContact NE-OE1 3.6Å; R739-E780 PolarHBondContact NE-OE1 2.83Å; R739-E780 IonicContact NH2-OE1 3.97Å; R739-E780 PolarHBondContact NH2-OE1 2.86Å; R739-E780 PolarHBondContact O-N 3.36Å; V741-E780 HydrophobicContact CG2-CB 3.79Å; V741-E780 HydrophobicContact CG2-CG 3.8Å; E780-P788 HydrophobicContact CB-CB 4.06Å; E780-P788 HydrophobicContact CG-CB 4.44Å; E780-P788 WeakPolarHBondContact OE2-CG 3.41Å; E780-R789 CarbonylContact C-O 3.57Å; E780-R789 VanDerWaalsContact CA-O 3.31Å; E780-R789 WeakPolarHBondContact CA-O 3.27Å |
| 781 | C | 86.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.4 | 165.2 | -56.9 | 0 | 0 | 0 | 0 | 108.3 | L707 V709 C726 H737 R789 | L707-C781 HydrophobicContact CD2-CB 4.19Å; L707-C781 WeakPolarHBondContact CD2-O 3.44Å; V709-C781 HydrophobicContact CG2-CB 3.55Å; V709-C781 WeakPolarHBondContact CG2-SG 3.46Å; C726-C781 HydrophobicContact CB-CB 3.63Å; C726-C781 WeakPolarHBondContact CB-SG 3.4Å; C726-C781 WeakPolarHBondContact SG-CB 3.09Å; C726-C781 CovalentContact SG-SG 2.03Å; C726-C781 PolarHBondContact SG-SG 3.01Å; H737-C781 CarbonylContact O-C 3.55Å; H737-C781 VanDerWaalsContact O-CA 3.27Å; H737-C781 WeakPolarHBondContact O-CA 3.43Å; C781-R789 PolarHBondContact N-O 3.02Å; C781-R789 PolarHBondContact O-N 3.11Å |
| 782 | Y | 82.8 | Confident | 75.5 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 11% | 0.114 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.9 | -178.2 | 69.5 | -75.5 | 0 | 0 | 0 | 112.8 | H737 R739 P784 | H737-Y782 HydrophobicContact CB-CD1 4.19Å; H737-Y782 HydrophobicContact CB-CE1 3.74Å; H737-Y782 HydrophobicContact CB-CE2 4.25Å; H737-Y782 PolarHBondContact N-O 2.78Å; H737-Y782 PolarHBondContact O-N 2.94Å; R739-Y782 HydrophobicContact CB-CE1 4.11Å; R739-Y782 HydrophobicContact CG-CD1 4.21Å; R739-Y782 HydrophobicContact CG-CE1 3.68Å; Y782-P784 HydrophobicContact CE2-CG 4.49Å |
| 783 | F | 75.6 | Confident | 76.4 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -103.1 | 147.2 | 150.5 | -56.3 | -71.3 | 0 | 0 | 0 | 106.8 | L707 R734 P736 D785 E786 | L707-F783 HydrophobicContact CB-CD2 4.38Å; L707-F783 HydrophobicContact CB-CE2 3.89Å; L707-F783 HydrophobicContact CD1-CE2 4.09Å; L707-F783 HydrophobicContact CD1-CZ 4.19Å; L707-F783 HydrophobicContact CD2-CD2 4.23Å; L707-F783 HydrophobicContact CD2-CE2 4.26Å; L707-F783 HydrophobicContact CG-CE2 4.31Å; R734-F783 HydrophobicContact CB-CD1 4.13Å; R734-F783 HydrophobicContact CB-CE1 3.55Å; R734-F783 HydrophobicContact CB-CZ 4.03Å; P736-F783 HydrophobicContact CB-CD1 4.44Å; P736-F783 HydrophobicContact CB-CE1 3.95Å; P736-F783 HydrophobicContact CB-CZ 4.27Å; F783-D785 PolarHBondContact O-N 3.19Å; F783-E786 HydrophobicContact CB-CB 4.33Å; F783-E786 HydrophobicContact CD2-CB 4.45Å; F783-E786 WeakPolarHBondContact CD2-OE2 3.38Å; F783-E786 PolarHBondContact O-N 3.11Å; F783-E786 VanDerWaalsContact O-N 3.08Å | ||
| 784 | P | 62.7 | Low | 76.6 | Confident | 92 Ų | 92 | 26.1 Ų | 26.1 | 60% | 0.597 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -32.4 | -176.6 | -29.8 | 36.6 | 0 | 0 | 0 | 114.8 | Y782 | Y782-P784 HydrophobicContact CE2-CG 4.49Š|
| 785 | D | 59.5 | Low | 76.4 | Confident | 90 Ų | 90 | 25.6 Ų | 25.6 | 48% | 0.481 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -10.8 | -175.4 | -39.8 | -63.6 | 0 | 0 | 0 | 113.9 | K320 N610 F783 | K320-D785 IonicContact NZ-OD1 3.87Å; K320-D785 PolarHBondContact NZ-OD1 3.32Å; K320-D785 IonicContact NZ-OD2 3.07Å; K320-D785 PolarHBondContact NZ-OD2 2.98Å; N610-D785 PolarHBondContact ND2-O 3.09Å; F783-D785 PolarHBondContact O-N 3.19Å |
| 786 | E | 63.1 | Low | 75.4 | Confident | 59 Ų | 59 | 24.9 Ų | 24.9 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -117 | 150.1 | -169.2 | -71.4 | -174.1 | -172.3 | 0 | 0 | 113.7 | R734 F783 | R734-E786 IonicContact CZ-OE1 3.42Å; R734-E786 IonicContact NH1-OE1 3.83Å; R734-E786 PolarHBondContact NH1-OE1 2.75Å; R734-E786 VanDerWaalsContact NH2-CD 3.29Å; R734-E786 IonicContact NH2-OE1 2.73Å; R734-E786 PolarHBondContact NH2-OE1 2.83Å; R734-E786 IonicContact NH2-OE2 2.72Å; R734-E786 PolarHBondContact NH2-OE2 2.89Å; F783-E786 HydrophobicContact CB-CB 4.33Å; F783-E786 HydrophobicContact CD2-CB 4.45Å; F783-E786 WeakPolarHBondContact CD2-OE2 3.38Å; F783-E786 PolarHBondContact O-N 3.11Å; F783-E786 VanDerWaalsContact O-N 3.08Å |
| 787 | S | 65.5 | Low | 74.2 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | trans | -62.1 | 130.2 | 175.6 | -85.8 | 0 | 0 | 0 | 0 | 111.1 | G609 N610 R789 | G609-S787 PolarHBondContact N-OG 2.71Å; N610-S787 PolarHBondContact N-OG 2.9Å; N610-S787 PolarHBondContact OD1-OG 3.28Å; S787-R789 PolarHBondContact O-NH1 3.31Å | ||
| 788 | P | 78.8 | Confident | 72.3 | Confident | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.071 | 16% | 0.164 | C | C | . | . | trans | -67.2 | 171.7 | -171.2 | 25.5 | -35.2 | 0 | 0 | 0 | 114.4 | E780 | E780-P788 HydrophobicContact CB-CB 4.06Å; E780-P788 HydrophobicContact CG-CB 4.44Å; E780-P788 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 789 | R | 80.5 | Confident | 70.3 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.1 | 168.3 | -62.8 | -63 | 178.2 | -78.1 | -17.5 | 108.9 | V641 A705 L707 V709 E780 C781 S787 | V641-R789 WeakPolarHBondContact O-CD 3.18Å; A705-R789 PolarHBondContact O-NH2 2.81Å; L707-R789 HydrophobicContact CB-CG 4.48Å; L707-R789 HydrophobicContact CG-CG 4.38Å; V709-R789 HydrophobicContact CB-CB 4.34Å; V709-R789 HydrophobicContact CG2-CB 3.35Å; V709-R789 HydrophobicContact CG2-CG 4.31Å; E780-R789 CarbonylContact C-O 3.57Å; E780-R789 VanDerWaalsContact CA-O 3.31Å; E780-R789 WeakPolarHBondContact CA-O 3.27Å; C781-R789 PolarHBondContact N-O 3.02Å; C781-R789 PolarHBondContact O-N 3.11Å; S787-R789 PolarHBondContact O-NH1 3.31Å |
| 790 | T | 77.7 | Confident | 68.3 | Low | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.8 | -172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | N643 V741 R778 I779 | N643-T790 PolarHBondContact ND2-O 2.82Å; N643-T790 PolarHBondContact O-N 2.69Å; V741-T790 HydrophobicContact CG2-CG2 4.07Å; R778-T790 HydrophobicContact CB-CG2 3.99Å; R778-T790 HydrophobicContact CG-CG2 4.39Å; I779-T790 WeakPolarHBondContact O-CA 3.4Å |
| 791 | A | 81.7 | Confident | 66.2 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V709 T712 L724 R778 I779 | V709-A791 HydrophobicContact CG1-CB 3.82Å; T712-A791 WeakPolarHBondContact O-CA 3.37Å; L724-A791 HydrophobicContact CD1-CB 3.57Å; L724-A791 HydrophobicContact CD2-CB 3.65Å; L724-A791 HydrophobicContact CG-CB 4.26Å; R778-A791 WeakPolarHBondContact CA-O 3.47Å; I779-A791 PolarHBondContact N-O 3.33Å; I779-A791 PolarHBondContact O-N 2.7Å |
| 792 | I | 80.8 | Confident | 63.8 | Low | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.5 | 172.6 | -56.7 | 174.1 | 0 | 0 | 0 | 108.3 | Y662 T712 R713 I714 D776 R778 | Y662-I792 HydrophobicContact CD1-CD1 3.81Å; Y662-I792 HydrophobicContact CE1-CD1 4.19Å; T712-I792 PolarHBondContact O-N 3.16Å; R713-I792 WeakPolarHBondContact CA-O 3.44Å; I714-I792 PolarHBondContact N-O 3.48Å; I714-I792 VanDerWaalsContact O-O 3.13Å; D776-I792 WeakPolarHBondContact OD1-CG2 3.41Å; R778-I792 HydrophobicContact CG-CG1 4.38Å |
| 793 | I | 82.6 | Confident | 62.1 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 93 | 170.4 | -52.5 | 91.8 | 0 | 0 | 0 | 108.2 | I714 V716 F722 L770 D776 T777 I779 V795 | I714-I793 HydrophobicContact CB-CB 4.35Å; I714-I793 HydrophobicContact CB-CG1 4.04Å; I714-I793 HydrophobicContact CB-CG2 4.14Å; I714-I793 HydrophobicContact CD1-CG1 4.15Å; I714-I793 HydrophobicContact CG1-CG1 4.44Å; I714-I793 HydrophobicContact CG2-CG2 3.97Å; I714-I793 CarbonylContact O-C 3.45Å; I714-I793 WeakPolarHBondContact O-CA 3.49Å; V716-I793 HydrophobicContact CG2-CG2 3.77Å; F722-I793 HydrophobicContact CE1-CG2 3.87Å; F722-I793 HydrophobicContact CE2-CG1 4.07Å; F722-I793 HydrophobicContact CE2-CG2 4.41Å; F722-I793 HydrophobicContact CZ-CG1 4.07Å; F722-I793 HydrophobicContact CZ-CG2 3.76Å; L770-I793 HydrophobicContact CD1-CG2 4.12Å; D776-I793 PolarHBondContact N-O 3.29Å; T777-I793 HydrophobicContact CG2-CD1 4.3Å; T777-I793 PolarHBondContact N-O 2.93Å; T777-I793 VanDerWaalsContact N-O 3.07Å; T777-I793 WeakPolarHBondContact O-CA 3.42Å; T777-I793 WeakPolarHBondContact O-CB 3.19Å; T777-I793 VanDerWaalsContact O-CD1 3.25Å; T777-I793 WeakPolarHBondContact O-CD1 3.49Å; T777-I793 PolarHBondContact O-N 2.9Å; I779-I793 HydrophobicContact CB-CD1 4.1Å; I779-I793 HydrophobicContact CD1-CD1 3.79Å; I779-I793 HydrophobicContact CG1-CD1 3.78Å; I793-V795 VanDerWaalsContact C-N 3.32Å; I793-V795 HydrophobicContact CG2-CG2 3.73Å; I793-V795 PolarHBondContact O-N 3.48Å |
| 794 | N | 73.8 | Confident | 61.7 | Low | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 88.2 | 167.8 | -63.7 | 130.3 | 0 | 0 | 0 | 108.5 | R713 I714 V715 V716 V796 | R713-N794 PolarHBondContact NE-OD1 3.05Å; R713-N794 VanDerWaalsContact NE-OD1 3.07Å; R713-N794 PolarHBondContact NH2-OD1 3.4Å; I714-N794 PolarHBondContact O-N 2.91Å; V715-N794 WeakPolarHBondContact CA-O 3.45Å; V715-N794 HydrophobicContact CG1-CB 4.41Å; V715-N794 HydrophobicContact CG2-CB 4.3Å; V716-N794 PolarHBondContact N-O 2.83Å; V716-N794 VanDerWaalsContact N-O 3.07Å; N794-V796 HydrophobicContact CB-CG2 3.77Å; N794-V796 PolarHBondContact O-N 2.87Å |
| 795 | V | 69.8 | Low | 61.5 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 70.2 | 166.7 | -163.7 | 0 | 0 | 0 | 0 | 108.5 | V716 L770 S771 A774 N775 I793 P797 | V716-V795 HydrophobicContact CG2-CG2 4.18Å; V716-V795 CarbonylContact O-C 3.6Å; V716-V795 WeakPolarHBondContact O-CA 3.5Å; L770-V795 HydrophobicContact CB-CB 4.44Å; L770-V795 HydrophobicContact CB-CG1 4.02Å; L770-V795 HydrophobicContact CB-CG2 3.63Å; L770-V795 HydrophobicContact CD1-CG2 3.51Å; L770-V795 HydrophobicContact CG-CG2 4.18Å; L770-V795 WeakPolarHBondContact O-CG1 3.3Å; S771-V795 VanDerWaalsContact O-CG1 3.32Å; S771-V795 WeakPolarHBondContact O-CG1 3.33Å; A774-V795 VanDerWaalsContact O-CG2 3.25Å; A774-V795 WeakPolarHBondContact O-CG2 3.37Å; N775-V795 WeakPolarHBondContact CA-O 3.49Å; N775-V795 WeakPolarHBondContact CB-O 3.49Å; N775-V795 PolarHBondContact OD1-N 2.89Å; N775-V795 PolarHBondContact OD1-O 2.57Å; I793-V795 VanDerWaalsContact C-N 3.32Å; I793-V795 HydrophobicContact CG2-CG2 3.73Å; I793-V795 PolarHBondContact O-N 3.48Å; V795-P797 WeakPolarHBondContact O-CD 3.48Å; V795-P797 VanDerWaalsContact O-N 3.1Å |
| 796 | V | 51.7 | Low | 61.8 | Low | 55 Ų | 55 | 48.5 Ų | 48.5 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | trans | -63.1 | 114.1 | -170.5 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | V715 V716 N794 | V715-V796 HydrophobicContact CG1-CG2 4Å; V716-V796 PolarHBondContact O-N 3.05Å; V716-V796 VanDerWaalsContact O-N 3.16Å; N794-V796 HydrophobicContact CB-CG2 3.77Å; N794-V796 PolarHBondContact O-N 2.87Å | ||
| 797 | P | 49.8 | Very low | 62.1 | Low | 51 Ų | 51 | 45.7 Ų | 45.7 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 151.8 | 162.8 | -14.1 | 28.9 | 0 | 0 | 0 | 107.2 | A772 N775 V795 R799 | A772-P797 HydrophobicContact CB-CB 3.97Å; A772-P797 HydrophobicContact CB-CG 4.06Å; N775-P797 HydrophobicContact CB-CG 4.42Å; V795-P797 WeakPolarHBondContact O-CD 3.48Å; V795-P797 VanDerWaalsContact O-N 3.1Å; P797-R799 PolarHBondContact O-N 2.82Å |
| 798 | D | 39.4 | Very low | 62 | Low | 121 Ų | 121 | 52.3 Ų | 52.3 | 65% | 0.647 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -54.5 | 139.9 | 170.8 | -166.8 | 20.2 | 0 | 0 | 0 | 109.5 | ||
| 799 | R | 43.1 | Very low | 60.6 | Low | 151 Ų | 151 | 55.9 Ų | 55.9 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -59.7 | 165.5 | -160.7 | -58.9 | 176.5 | -170.9 | -116.9 | -0.7 | 110.7 | P797 G801 | P797-R799 PolarHBondContact O-N 2.82Å; R799-G801 WeakPolarHBondContact O-CA 3.17Å; R799-G801 PolarHBondContact O-N 2.86Å |
| 800 | C | 44.1 | Very low | 59.3 | Low | 28 Ų | 28 | 57.2 Ų | 57.2 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -7 | 97.9 | 164.4 | -48 | 0 | 0 | 0 | 0 | 111.8 | L802 Y804 C812 | C800-L802 PolarHBondContact O-N 2.85Å; C800-Y804 HydrophobicContact CB-CG 4.34Å; C800-Y804 WeakPolarHBondContact O-CB 3.32Å; C800-Y804 PolarHBondContact O-N 2.91Å; C800-C812 HydrophobicContact CB-CB 3.69Å; C800-C812 WeakPolarHBondContact CB-SG 3.36Å; C800-C812 WeakPolarHBondContact SG-CB 3.41Å; C800-C812 CovalentContact SG-SG 2.05Å; C800-C812 PolarHBondContact SG-SG 2.78Å |
| 801 | G | 40.4 | Very low | 58.3 | Low | 62 Ų | 62 | 59 Ų | 59 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -47.9 | 118.5 | -143.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R799 G803 | R799-G801 WeakPolarHBondContact O-CA 3.17Å; R799-G801 PolarHBondContact O-N 2.86Å; G801-G803 PolarHBondContact O-N 2.87Å; G801-G803 VanDerWaalsContact O-N 3.08Å |
| 802 | L | 37.3 | Very low | 57.6 | Low | 162 Ų | 162 | 62.5 Ų | 62.5 | 85% | 0.848 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | 26.6 | 64.1 | 172 | -72.9 | -179.8 | 0 | 0 | 0 | 114.9 | C800 | C800-L802 PolarHBondContact O-N 2.85Š|
| 803 | G | 46.8 | Very low | 56.6 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 148.4 | 9.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G801 Q814 Q815 | G801-G803 PolarHBondContact O-N 2.87Å; G801-G803 VanDerWaalsContact O-N 3.08Å; G803-Q814 CarbonylContact O-C 3.23Å; G803-Q814 WeakPolarHBondContact O-CA 3.45Å; G803-Q815 PolarHBondContact O-N 2.93Å |
| 804 | Y | 65.9 | Low | 55.5 | Low | 101 Ų | 101 | 66.3 Ų | 66.3 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.7 | 178.2 | -66.5 | -109.2 | 0 | 0 | 0 | 112.7 | C800 I813 Q814 | C800-Y804 HydrophobicContact CB-CG 4.34Å; C800-Y804 WeakPolarHBondContact O-CB 3.32Å; C800-Y804 PolarHBondContact O-N 2.91Å; Y804-I813 CarbonylContact C-O 3.6Å; Y804-I813 VanDerWaalsContact C-O 3.29Å; Y804-I813 WeakPolarHBondContact CA-O 3.5Å; Y804-I813 WeakPolarHBondContact CB-O 3.45Å; Y804-I813 WeakPolarHBondContact CD1-O 3.09Å; Y804-Q814 HydrophobicContact CD1-CB 4.42Å; Y804-Q814 HydrophobicContact CD1-CG 3.7Å; Y804-Q814 HydrophobicContact CD2-CG 4.44Å; Y804-Q814 HydrophobicContact CE1-CG 3.42Å; Y804-Q814 VanDerWaalsContact CE1-CG 3.42Å; Y804-Q814 HydrophobicContact CE2-CG 4.2Å; Y804-Q814 HydrophobicContact CG-CG 4.18Å; Y804-Q814 PolarHBondContact OH-NE2 2.8Å |
| 805 | F | 59.8 | Low | 54.9 | Low | 19 Ų | 19 | 69.7 Ų | 69.7 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 152.7 | 171.9 | 167.1 | -116 | 0 | 0 | 0 | 110.2 | C812 I813 R818 D830 | F805-C812 CarbonylContact O-C 3.52Å; F805-C812 WeakPolarHBondContact O-CA 3.27Å; F805-I813 HydrophobicContact CB-CG1 4.45Å; F805-I813 HydrophobicContact CD1-CD1 4Å; F805-I813 HydrophobicContact CD1-CG1 3.91Å; F805-I813 PolarHBondContact N-O 2.79Å; F805-I813 PolarHBondContact O-N 2.92Å; F805-R818 HydrophobicContact CB-CB 4.15Å; F805-R818 HydrophobicContact CD1-CB 3.87Å; F805-R818 HydrophobicContact CD1-CG 3.8Å; F805-R818 VanDerWaalsContact CD2-CD 3.42Å; F805-R818 HydrophobicContact CD2-CG 4.12Å; F805-R818 HydrophobicContact CE1-CB 4.48Å; F805-R818 HydrophobicContact CE1-CG 3.96Å; F805-R818 HydrophobicContact CE2-CG 4.28Å; F805-R818 HydrophobicContact CG-CB 3.92Å; F805-R818 HydrophobicContact CG-CG 3.89Å; F805-R818 HydrophobicContact CZ-CG 4.2Å; F805-D830 HydrophobicContact CD1-CB 4.38Å; F805-D830 HydrophobicContact CE1-CB 3.93Å |
| 806 | M | 65.5 | Low | 54.4 | Low | 81 Ų | 81 | 73.4 Ų | 73.4 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.1 | -178.1 | -172.8 | -174.3 | 79.1 | 0 | 0 | 110.4 | S811 | M806-S811 CarbonylContact C-O 3.58Å; M806-S811 WeakPolarHBondContact CA-O 3.36Å |
| 807 | C | 69.4 | Low | 55 | Low | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | trans | -65.7 | 161.6 | 174.2 | -57 | 0 | 0 | 0 | 0 | 111.6 | D809 G810 S811 C825 | C807-D809 VanDerWaalsContact CB-OD1 3.26Å; C807-D809 WeakPolarHBondContact CB-OD1 2.98Å; C807-D809 PolarHBondContact O-N 3.38Å; C807-G810 PolarHBondContact O-N 3.35Å; C807-S811 WeakPolarHBondContact CB-OG 3.21Å; C807-S811 PolarHBondContact N-O 2.72Å; C807-S811 PolarHBondContact SG-OG 3.12Å; C807-S811 VanDerWaalsContact SG-OG 3.39Å; C807-C825 HydrophobicContact CB-CB 3.74Å; C807-C825 WeakPolarHBondContact CB-SG 3.47Å; C807-C825 WeakPolarHBondContact SG-CA 3.36Å; C807-C825 WeakPolarHBondContact SG-CB 3.39Å; C807-C825 CovalentContact SG-SG 2.03Å; C807-C825 PolarHBondContact SG-SG 3.3Å | ||
| 808 | Y | 64.1 | Low | 55.3 | Low | 152 Ų | 152 | 74.8 Ų | 74.8 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.7 | 178.8 | -62 | -47.6 | 0 | 0 | 0 | 113.3 | G810 D827 S829 I832 | Y808-G810 VanDerWaalsContact C-N 3.27Å; Y808-D827 WeakPolarHBondContact CD2-OD2 3.19Å; Y808-S829 WeakPolarHBondContact CD2-OG 3.15Å; Y808-S829 PolarHBondContact N-OG 3.49Å; Y808-I832 HydrophobicContact CE2-CD1 4.25Å |
| 809 | D | 48.3 | Very low | 56.5 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.5 | 169 | 75.7 | -9 | 0 | 0 | 0 | 114 | C807 S811 P826 | C807-D809 VanDerWaalsContact CB-OD1 3.26Å; C807-D809 WeakPolarHBondContact CB-OD1 2.98Å; C807-D809 PolarHBondContact O-N 3.38Å; D809-S811 WeakPolarHBondContact OD1-CB 3.23Å; D809-S811 PolarHBondContact OD1-N 2.83Å; D809-S811 PolarHBondContact OD1-OG 2.73Å; D809-P826 WeakPolarHBondContact OD2-CG 3.27Å |
| 810 | G | 53.4 | Low | 57.2 | Low | 49 Ų | 49 | 67.3 Ų | 67.3 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 92.2 | 0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C807 Y808 | C807-G810 PolarHBondContact O-N 3.35Å; Y808-G810 VanDerWaalsContact C-N 3.27Å |
| 811 | S | 57.4 | Low | 57.9 | Low | 40 Ų | 40 | 68.7 Ų | 68.7 | 28% | 0.28 | 40% | 0.399 | S | S | . | . | trans | -74.1 | 146.3 | 175 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | M806 C807 D809 | M806-S811 CarbonylContact C-O 3.58Å; M806-S811 WeakPolarHBondContact CA-O 3.36Å; C807-S811 WeakPolarHBondContact CB-OG 3.21Å; C807-S811 PolarHBondContact N-O 2.72Å; C807-S811 PolarHBondContact SG-OG 3.12Å; C807-S811 VanDerWaalsContact SG-OG 3.39Å; D809-S811 WeakPolarHBondContact OD1-CB 3.23Å; D809-S811 PolarHBondContact OD1-N 2.83Å; D809-S811 PolarHBondContact OD1-OG 2.73Å | ||
| 812 | C | 65.9 | Low | 58.3 | Low | 73 Ų | 73 | 71.1 Ų | 71.1 | 49% | 0.493 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.8 | 175.8 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | C800 F805 | C800-C812 HydrophobicContact CB-CB 3.69Å; C800-C812 WeakPolarHBondContact CB-SG 3.36Å; C800-C812 WeakPolarHBondContact SG-CB 3.41Å; C800-C812 CovalentContact SG-SG 2.05Å; C800-C812 PolarHBondContact SG-SG 2.78Å; F805-C812 CarbonylContact O-C 3.52Å; F805-C812 WeakPolarHBondContact O-CA 3.27Å |
| 813 | I | 60.8 | Low | 59.3 | Low | 22 Ų | 22 | 68.5 Ų | 68.5 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 171.8 | 167.2 | 61.8 | 176.7 | 0 | 0 | 0 | 109.5 | Y804 F805 Q817 Q824 C825 D830 | Y804-I813 CarbonylContact C-O 3.6Å; Y804-I813 VanDerWaalsContact C-O 3.29Å; Y804-I813 WeakPolarHBondContact CA-O 3.5Å; Y804-I813 WeakPolarHBondContact CB-O 3.45Å; Y804-I813 WeakPolarHBondContact CD1-O 3.09Å; F805-I813 HydrophobicContact CB-CG1 4.45Å; F805-I813 HydrophobicContact CD1-CD1 4Å; F805-I813 HydrophobicContact CD1-CG1 3.91Å; F805-I813 PolarHBondContact N-O 2.79Å; F805-I813 PolarHBondContact O-N 2.92Å; I813-Q817 HydrophobicContact CB-CB 4.3Å; I813-Q817 HydrophobicContact CD1-CB 3.96Å; I813-Q817 WeakPolarHBondContact CD1-O 3.34Å; I813-Q817 HydrophobicContact CG1-CB 4.16Å; I813-Q824 HydrophobicContact CD1-CB 3.92Å; I813-C825 VanDerWaalsContact CD1-SG 3.54Å; I813-D830 HydrophobicContact CD1-CB 4.1Å |
| 814 | Q | 59.8 | Low | 60 | Low | 80 Ų | 80 | 69.2 Ų | 69.2 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 155.2 | -179.3 | -78.8 | -169.6 | -26.2 | 0 | 0 | 112.8 | G803 Y804 S816 Q817 | G803-Q814 CarbonylContact O-C 3.23Å; G803-Q814 WeakPolarHBondContact O-CA 3.45Å; Y804-Q814 HydrophobicContact CD1-CB 4.42Å; Y804-Q814 HydrophobicContact CD1-CG 3.7Å; Y804-Q814 HydrophobicContact CD2-CG 4.44Å; Y804-Q814 HydrophobicContact CE1-CG 3.42Å; Y804-Q814 VanDerWaalsContact CE1-CG 3.42Å; Y804-Q814 HydrophobicContact CE2-CG 4.2Å; Y804-Q814 HydrophobicContact CG-CG 4.18Å; Y804-Q814 PolarHBondContact OH-NE2 2.8Å; Q814-S816 WeakPolarHBondContact CB-OG 3.36Å; Q814-S816 PolarHBondContact O-N 3.23Å; Q814-Q817 HydrophobicContact CB-CB 4.5Å; Q814-Q817 HydrophobicContact CB-CG 4.06Å; Q814-Q817 CarbonylContact O-C 3.59Å; Q814-Q817 WeakPolarHBondContact O-CA 3.26Å; Q814-Q817 WeakPolarHBondContact O-CB 3.4Å; Q814-Q817 PolarHBondContact O-N 3.3Å |
| 815 | Q | 60.5 | Low | 60.3 | Low | 96 Ų | 96 | 64.6 Ų | 64.6 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.5 | 179.6 | -174 | 58.2 | 76.3 | 0 | 0 | 111.6 | G803 Q817 | G803-Q815 PolarHBondContact O-N 2.93Å; Q815-Q817 VanDerWaalsContact C-N 3.25Å |
| 816 | S | 59 | Low | 60.3 | Low | 79 Ų | 79 | 68.8 Ų | 68.8 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.6 | 165 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | Q814 D820 | Q814-S816 WeakPolarHBondContact CB-OG 3.36Å; Q814-S816 PolarHBondContact O-N 3.23Å; S816-D820 WeakPolarHBondContact O-CB 3.4Å |
| 817 | Q | 64.7 | Low | 59.8 | Low | 57 Ų | 57 | 69.6 Ų | 69.6 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -106.7 | 44.3 | 175.5 | -64.7 | -174.4 | -76 | 0 | 0 | 109.5 | I813 Q814 Q815 | I813-Q817 HydrophobicContact CB-CB 4.3Å; I813-Q817 HydrophobicContact CD1-CB 3.96Å; I813-Q817 WeakPolarHBondContact CD1-O 3.34Å; I813-Q817 HydrophobicContact CG1-CB 4.16Å; Q814-Q817 HydrophobicContact CB-CB 4.5Å; Q814-Q817 HydrophobicContact CB-CG 4.06Å; Q814-Q817 CarbonylContact O-C 3.59Å; Q814-Q817 WeakPolarHBondContact O-CA 3.26Å; Q814-Q817 WeakPolarHBondContact O-CB 3.4Å; Q814-Q817 PolarHBondContact O-N 3.3Å; Q815-Q817 VanDerWaalsContact C-N 3.25Å |
| 818 | R | 56.6 | Low | 59.2 | Low | 78 Ų | 78 | 70.6 Ų | 70.6 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -144.2 | 124 | 176.3 | -168.3 | -167.2 | -161.2 | -102.1 | -10.8 | 108.3 | F805 D820 D830 | F805-R818 HydrophobicContact CB-CB 4.15Å; F805-R818 HydrophobicContact CD1-CB 3.87Å; F805-R818 HydrophobicContact CD1-CG 3.8Å; F805-R818 VanDerWaalsContact CD2-CD 3.42Å; F805-R818 HydrophobicContact CD2-CG 4.12Å; F805-R818 HydrophobicContact CE1-CB 4.48Å; F805-R818 HydrophobicContact CE1-CG 3.96Å; F805-R818 HydrophobicContact CE2-CG 4.28Å; F805-R818 HydrophobicContact CG-CB 3.92Å; F805-R818 HydrophobicContact CG-CG 3.89Å; F805-R818 HydrophobicContact CZ-CG 4.2Å; R818-D820 PolarHBondContact O-N 3.23Å; R818-D830 WeakPolarHBondContact CG-O 3.42Å |
| 819 | C | 62.8 | Low | 59.4 | Low | 56 Ų | 56 | 63.3 Ų | 63.3 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 56.2 | 38 | -168 | -46.2 | 0 | 0 | 0 | 0 | 112 | D830 E831 C834 | C819-D830 PolarHBondContact N-O 2.9Å; C819-E831 VanDerWaalsContact C-OE1 3.26Å; C819-E831 WeakPolarHBondContact CA-OE1 3.45Å; C819-E831 PolarHBondContact N-OE1 2.79Å; C819-C834 HydrophobicContact CB-CB 4.11Å; C819-C834 WeakPolarHBondContact CB-SG 3.4Å; C819-C834 WeakPolarHBondContact SG-CB 3.18Å; C819-C834 CovalentContact SG-SG 2.03Å; C819-C834 PolarHBondContact SG-SG 3.13Å |
| 820 | D | 58 | Low | 60.6 | Low | 58 Ų | 58 | 59.3 Ų | 59.3 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -98.9 | -9.4 | -177.1 | 96.8 | -29.8 | 0 | 0 | 0 | 113.6 | S816 R818 Q822 Q824 E831 | S816-D820 WeakPolarHBondContact O-CB 3.4Å; R818-D820 PolarHBondContact O-N 3.23Å; D820-Q822 WeakPolarHBondContact OD1-CA 3.33Å; D820-Q822 VanDerWaalsContact OD1-CB 3.28Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.07Å; D820-Q822 PolarHBondContact OD1-N 2.75Å; D820-Q822 PolarHBondContact OD2-NE2 3.26Å; D820-Q824 PolarHBondContact OD1-OE1 2.93Å; D820-Q824 PolarHBondContact OD2-NE2 2.86Å; D820-E831 PolarHBondContact N-OE1 2.86Å |
| 821 | G | 59.2 | Low | 61.3 | Low | 58 Ų | 58 | 60.3 Ų | 60.3 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 97.3 | 5.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E831 | G821-E831 WeakPolarHBondContact CA-OE2 3.08Å; G821-E831 PolarHBondContact N-OE1 2.8Å; G821-E831 PolarHBondContact N-OE2 3.01Å |
| 822 | Q | 48.4 | Very low | 61.3 | Low | 112 Ų | 112 | 63.1 Ų | 63.1 | 52% | 0.523 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -133.3 | 149.1 | -177 | -58.3 | 170 | 95.5 | 0 | 0 | 112 | D820 Q824 E831 | D820-Q822 WeakPolarHBondContact OD1-CA 3.33Å; D820-Q822 VanDerWaalsContact OD1-CB 3.28Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.07Å; D820-Q822 PolarHBondContact OD1-N 2.75Å; D820-Q822 PolarHBondContact OD2-NE2 3.26Å; Q822-Q824 HydrophobicContact CB-CG 4.31Å; Q822-E831 WeakPolarHBondContact O-CG 3.22Å |
| 823 | T | 58.3 | Low | 60.4 | Low | 107 Ų | 107 | 68.6 Ų | 68.6 | 66% | 0.656 | 38% | 0.375 | S | S | * | . | trans | -95.1 | 97.2 | 175.9 | -40.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 824 | Q | 61 | Low | 60 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 23% | 0.229 | 39% | 0.392 | C | S | . | . | trans | -104.7 | -24.3 | 179.2 | -62.5 | 128.5 | -17 | 0 | 0 | 111.9 | I813 D820 Q822 D830 | I813-Q824 HydrophobicContact CD1-CB 3.92Å; D820-Q824 PolarHBondContact OD1-OE1 2.93Å; D820-Q824 PolarHBondContact OD2-NE2 2.86Å; Q822-Q824 HydrophobicContact CB-CG 4.31Å; Q824-D830 WeakPolarHBondContact CA-OD2 3.11Å; Q824-D830 PolarHBondContact N-OD2 3.45Å | ||
| 825 | C | 73.3 | Confident | 59.7 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.027 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -70.7 | 131.8 | 165.1 | -71.2 | 0 | 0 | 0 | 0 | 111 | C807 I813 D827 G828 D830 | C807-C825 HydrophobicContact CB-CB 3.74Å; C807-C825 WeakPolarHBondContact CB-SG 3.47Å; C807-C825 WeakPolarHBondContact SG-CA 3.36Å; C807-C825 WeakPolarHBondContact SG-CB 3.39Å; C807-C825 CovalentContact SG-SG 2.03Å; C807-C825 PolarHBondContact SG-SG 3.3Å; I813-C825 VanDerWaalsContact CD1-SG 3.54Å; C825-D827 PolarHBondContact O-N 3.3Å; C825-G828 PolarHBondContact O-N 2.86Å; C825-D830 HydrophobicContact CB-CB 4.46Å; C825-D830 PolarHBondContact N-OD2 3.03Å |
| 826 | P | 59.5 | Low | 59.1 | Low | 107 Ų | 107 | 71.4 Ų | 71.4 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.4 | 174.8 | -25.4 | 35.6 | 0 | 0 | 0 | 114.5 | D809 | D809-P826 WeakPolarHBondContact OD2-CG 3.27Š|
| 827 | D | 54.4 | Low | 58.5 | Low | 98 Ų | 98 | 74.8 Ų | 74.8 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.9 | 176.3 | 171.7 | 84.2 | 0 | 0 | 0 | 113.6 | Y808 C825 S829 | Y808-D827 WeakPolarHBondContact CD2-OD2 3.19Å; C825-D827 PolarHBondContact O-N 3.3Å; D827-S829 PolarHBondContact OD2-OG 2.91Å |
| 828 | G | 57.5 | Low | 57.1 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | trans | 72.7 | 24.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | C825 D830 | C825-G828 PolarHBondContact O-N 2.86Å; G828-D830 PolarHBondContact O-N 3.07Å | ||
| 829 | S | 68.1 | Low | 56.2 | Low | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.2 | -176.6 | -30.9 | 0 | 0 | 0 | 0 | 115.4 | Y808 D827 | Y808-S829 WeakPolarHBondContact CD2-OG 3.15Å; Y808-S829 PolarHBondContact N-OG 3.49Å; D827-S829 PolarHBondContact OD2-OG 2.91Å |
| 830 | D | 74.6 | Confident | 56 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -32.6 | -170.5 | 36.4 | 12.8 | 0 | 0 | 0 | 114.3 | F805 I813 R818 C819 Q824 C825 G828 | F805-D830 HydrophobicContact CD1-CB 4.38Å; F805-D830 HydrophobicContact CE1-CB 3.93Å; I813-D830 HydrophobicContact CD1-CB 4.1Å; R818-D830 WeakPolarHBondContact CG-O 3.42Å; C819-D830 PolarHBondContact N-O 2.9Å; Q824-D830 WeakPolarHBondContact CA-OD2 3.11Å; Q824-D830 PolarHBondContact N-OD2 3.45Å; C825-D830 HydrophobicContact CB-CB 4.46Å; C825-D830 PolarHBondContact N-OD2 3.03Å; G828-D830 PolarHBondContact O-N 3.07Å |
| 831 | E | 66.3 | Low | 56.1 | Low | 70 Ų | 70 | 82.7 Ų | 82.7 | 33% | 0.327 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -99.2 | 3.3 | -169 | -76.4 | -72.8 | 101.1 | 0 | 0 | 114.8 | C819 D820 G821 Q822 | C819-E831 VanDerWaalsContact C-OE1 3.26Å; C819-E831 WeakPolarHBondContact CA-OE1 3.45Å; C819-E831 PolarHBondContact N-OE1 2.79Å; D820-E831 PolarHBondContact N-OE1 2.86Å; G821-E831 WeakPolarHBondContact CA-OE2 3.08Å; G821-E831 PolarHBondContact N-OE1 2.8Å; G821-E831 PolarHBondContact N-OE2 3.01Å; Q822-E831 WeakPolarHBondContact O-CG 3.22Å |
| 832 | I | 58.2 | Low | 56.7 | Low | 100 Ų | 100 | 85.3 Ų | 85.3 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -108.4 | 121.3 | -172.4 | 61.4 | 173.9 | 0 | 0 | 0 | 115.9 | Y808 | Y808-I832 HydrophobicContact CE2-CD1 4.25Š|
| 833 | K | 47.4 | Very low | 57.4 | Low | 188 Ų | 188 | 80.2 Ų | 80.2 | 82% | 0.817 | 44% | 0.44 | S | S | * | . | trans | 61 | 72.8 | 167.7 | -156.9 | 175 | -175.3 | 179.2 | 0 | 116.5 | ||||
| 834 | C | 51.2 | Low | 57.7 | Low | 69 Ų | 69 | 79 Ų | 79 | 47% | 0.466 | 44% | 0.436 | S | S | . | . | trans | -86.8 | 112.2 | 177.1 | -36.4 | 0 | 0 | 0 | 0 | 111.8 | C819 | C819-C834 HydrophobicContact CB-CB 4.11Å; C819-C834 WeakPolarHBondContact CB-SG 3.4Å; C819-C834 WeakPolarHBondContact SG-CB 3.18Å; C819-C834 CovalentContact SG-SG 2.03Å; C819-C834 PolarHBondContact SG-SG 3.13Å | ||
| 835 | V | 55.6 | Low | 57.3 | Low | 115 Ų | 115 | 79 Ų | 79 | 70% | 0.697 | 44% | 0.442 | S | S | * | . | trans | -150.7 | 149.1 | 173.8 | -156 | 0 | 0 | 0 | 0 | 109.5 | Q837 | V835-Q837 PolarHBondContact O-N 3.47Š| ||
| 836 | C | 47.9 | Very low | 56.8 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 49% | 0.493 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 120.7 | 177.3 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | C848 | C836-C848 HydrophobicContact CB-CB 3.94Å; C836-C848 WeakPolarHBondContact CB-SG 3.26Å; C836-C848 WeakPolarHBondContact SG-CB 3.31Å; C836-C848 CovalentContact SG-SG 2.04Å; C836-C848 PolarHBondContact SG-SG 2.82Å |
| 837 | Q | 44.9 | Very low | 56.8 | Low | 150 Ų | 150 | 80.2 Ų | 80.2 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 129.5 | 178.9 | -67.5 | -176.6 | -10.8 | 0 | 0 | 111.3 | V835 R840 | V835-Q837 PolarHBondContact O-N 3.47Å; Q837-R840 WeakPolarHBondContact O-CB 3.38Å; Q837-R840 PolarHBondContact O-N 3.24Å |
| 838 | P | 36.7 | Very low | 57.3 | Low | 116 Ų | 116 | 76.6 Ų | 76.6 | 75% | 0.753 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 143.9 | 160 | -25.6 | 35.9 | 0 | 0 | 0 | 110.8 | ||
| 839 | P | 37.7 | Very low | 57.3 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.7 | 13.6 | 11.6 | 36.4 | -38 | 0 | 0 | 0 | 114.8 | I841 P851 | P839-I841 PolarHBondContact O-N 3Å; P839-P851 HydrophobicContact CB-CG 3.77Å; P839-P851 HydrophobicContact CG-CG 4.4Å; P839-P851 WeakPolarHBondContact O-CD 3.32Å; P839-P851 VanDerWaalsContact O-CG 3.28Å; P839-P851 WeakPolarHBondContact O-CG 3.23Å |
| 840 | R | 57.6 | Low | 57 | Low | 128 Ų | 128 | 77.1 Ų | 77.1 | 48% | 0.483 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -64.7 | 109.5 | 163 | -61.1 | -165.9 | 72.8 | 142.5 | 1.5 | 109.1 | Q837 C848 I849 T850 | Q837-R840 WeakPolarHBondContact O-CB 3.38Å; Q837-R840 PolarHBondContact O-N 3.24Å; R840-C848 HydrophobicContact CB-CB 4.41Å; R840-C848 PolarHBondContact NE-O 2.86Å; R840-C848 PolarHBondContact NH2-O 2.86Å; R840-I849 CarbonylContact C-O 3.57Å; R840-I849 VanDerWaalsContact C-O 3.23Å; R840-I849 WeakPolarHBondContact CA-O 3.32Å; R840-I849 WeakPolarHBondContact CB-O 3.33Å; R840-T850 HydrophobicContact CG-CG2 4.07Å |
| 841 | I | 61.1 | Low | 56.2 | Low | 73 Ų | 73 | 79.8 Ų | 79.8 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.5 | -179 | -57.8 | 176.4 | 0 | 0 | 0 | 108.2 | P839 C843 C848 I849 | P839-I841 PolarHBondContact O-N 3Å; I841-C843 PolarHBondContact O-N 3.11Å; I841-C848 CarbonylContact O-C 3.5Å; I841-C848 WeakPolarHBondContact O-CA 3.5Å; I841-I849 HydrophobicContact CB-CG1 4.23Å; I841-I849 PolarHBondContact N-O 3.19Å; I841-I849 VanDerWaalsContact O-CG1 3.31Å; I841-I849 WeakPolarHBondContact O-CG1 3.09Å; I841-I849 PolarHBondContact O-N 2.82Å |
| 842 | L | 70.7 | Confident | 55.9 | Low | 114 Ų | 114 | 82.7 Ų | 82.7 | 60% | 0.597 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 117 | 173.6 | -171.5 | 69.5 | 0 | 0 | 0 | 109.2 | E847 | L842-E847 CarbonylContact C-O 3.58Å |
| 843 | C | 64.5 | Low | 56.2 | Low | 5 Ų | 5 | 80.5 Ų | 80.5 | 3% | 0.034 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 151.4 | 166 | -66.9 | 0 | 0 | 0 | 0 | 110 | I841 S845 G846 E847 I849 C861 | I841-C843 PolarHBondContact O-N 3.11Å; C843-S845 PolarHBondContact O-N 3.17Å; C843-G846 PolarHBondContact O-N 2.82Å; C843-E847 HydrophobicContact CB-CB 4.22Å; C843-E847 WeakPolarHBondContact CB-O 3.48Å; C843-E847 PolarHBondContact N-O 3.03Å; C843-I849 VanDerWaalsContact SG-CG2 3.57Å; C843-C861 HydrophobicContact CB-CB 3.83Å; C843-C861 WeakPolarHBondContact CB-SG 3.39Å; C843-C861 WeakPolarHBondContact SG-CA 3.49Å; C843-C861 WeakPolarHBondContact SG-CB 3.5Å; C843-C861 CovalentContact SG-SG 2.04Å; C843-C861 PolarHBondContact SG-SG 2.9Å |
| 844 | S | 63.6 | Low | 56.8 | Low | 82 Ų | 82 | 77.2 Ų | 77.2 | 57% | 0.573 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -18.1 | 169.9 | 38.6 | 0 | 0 | 0 | 0 | 113.8 | D863 S865 | S844-D863 WeakPolarHBondContact CB-OD2 3.4Å; S844-D863 VanDerWaalsContact OG-CB 3.32Å; S844-D863 WeakPolarHBondContact OG-CB 3.33Å; S844-D863 PolarHBondContact OG-OD2 3.16Å; S844-S865 PolarHBondContact OG-OG 2.89Å |
| 845 | S | 53.6 | Low | 57.3 | Low | 49 Ų | 49 | 75.1 Ų | 75.1 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.6 | 173.6 | 69.5 | 0 | 0 | 0 | 0 | 115.6 | C843 | C843-S845 PolarHBondContact O-N 3.17Š|
| 846 | G | 61.7 | Low | 57.5 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 87.9 | -0.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | C843 | C843-G846 PolarHBondContact O-N 2.82Š|
| 847 | E | 59 | Low | 58.2 | Low | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | trans | -78 | 155.3 | 170.6 | -52.3 | -67.5 | 172.5 | 0 | 0 | 110.2 | L842 C843 R862 | L842-E847 CarbonylContact C-O 3.58Å; C843-E847 HydrophobicContact CB-CB 4.22Å; C843-E847 WeakPolarHBondContact CB-O 3.48Å; C843-E847 PolarHBondContact N-O 3.03Å; E847-R862 IonicContact OE1-NH1 3.18Å; E847-R862 PolarHBondContact OE1-NH1 2.9Å | ||
| 848 | C | 65.5 | Low | 58.9 | Low | 22 Ų | 22 | 68.2 Ų | 68.2 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 87.3 | -176.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | C836 R840 I841 | C836-C848 HydrophobicContact CB-CB 3.94Å; C836-C848 WeakPolarHBondContact CB-SG 3.26Å; C836-C848 WeakPolarHBondContact SG-CB 3.31Å; C836-C848 CovalentContact SG-SG 2.04Å; C836-C848 PolarHBondContact SG-SG 2.82Å; R840-C848 HydrophobicContact CB-CB 4.41Å; R840-C848 PolarHBondContact NE-O 2.86Å; R840-C848 PolarHBondContact NH2-O 2.86Å; I841-C848 CarbonylContact O-C 3.5Å; I841-C848 WeakPolarHBondContact O-CA 3.5Å |
| 849 | I | 58.3 | Low | 60.2 | Low | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 162.7 | 178.4 | 56 | 158.7 | 0 | 0 | 0 | 112.1 | R840 I841 C843 M853 H860 D866 | R840-I849 CarbonylContact C-O 3.57Å; R840-I849 VanDerWaalsContact C-O 3.23Å; R840-I849 WeakPolarHBondContact CA-O 3.32Å; R840-I849 WeakPolarHBondContact CB-O 3.33Å; I841-I849 HydrophobicContact CB-CG1 4.23Å; I841-I849 PolarHBondContact N-O 3.19Å; I841-I849 VanDerWaalsContact O-CG1 3.31Å; I841-I849 WeakPolarHBondContact O-CG1 3.09Å; I841-I849 PolarHBondContact O-N 2.82Å; C843-I849 VanDerWaalsContact SG-CG2 3.57Å; I849-M853 HydrophobicContact CB-CB 3.98Å; I849-M853 HydrophobicContact CB-SD 3.81Å; I849-M853 HydrophobicContact CG2-CB 4.36Å; I849-M853 HydrophobicContact CG2-SD 3.94Å; I849-H860 HydrophobicContact CG2-CB 4.04Å; I849-D866 HydrophobicContact CD1-CB 3.72Å |
| 850 | T | 61.5 | Low | 61.2 | Low | 22 Ų | 22 | 69 Ų | 69 | 14% | 0.135 | 38% | 0.375 | C | S | . | . | trans | -91.8 | 166.9 | 170.8 | 60 | 0 | 0 | 0 | 0 | 111.2 | R840 E852 M853 R854 | R840-T850 HydrophobicContact CG-CG2 4.07Å; T850-E852 WeakPolarHBondContact CB-OE2 3.39Å; T850-E852 PolarHBondContact O-N 2.76Å; T850-E852 PolarHBondContact OG1-OE2 3.07Å; T850-M853 HydrophobicContact CG2-CE 4.29Å; T850-M853 PolarHBondContact N-SD 2.85Å; T850-M853 VanDerWaalsContact N-SD 3.41Å; T850-M853 PolarHBondContact O-N 3.26Å; T850-M853 WeakPolarHBondContact OG1-CG 3.4Å; T850-R854 PolarHBondContact O-N 3.13Å | ||
| 851 | P | 57.9 | Low | 61.8 | Low | 56 Ų | 56 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.6 | 175.2 | -20.4 | 33.5 | 0 | 0 | 0 | 113.4 | P839 R854 | P839-P851 HydrophobicContact CB-CG 3.77Å; P839-P851 HydrophobicContact CG-CG 4.4Å; P839-P851 WeakPolarHBondContact O-CD 3.32Å; P839-P851 VanDerWaalsContact O-CG 3.28Å; P839-P851 WeakPolarHBondContact O-CG 3.23Å; P851-R854 WeakPolarHBondContact O-CB 3.49Å; P851-R854 PolarHBondContact O-N 3.49Å |
| 852 | E | 58.5 | Low | 62.3 | Low | 130 Ų | 130 | 69.5 Ų | 69.5 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.5 | 176.5 | -42 | 80.5 | -133.7 | 0 | 0 | 112.9 | T850 | T850-E852 WeakPolarHBondContact CB-OE2 3.39Å; T850-E852 PolarHBondContact O-N 2.76Å; T850-E852 PolarHBondContact OG1-OE2 3.07Å |
| 853 | M | 64.5 | Low | 61.9 | Low | 55 Ų | 55 | 69.4 Ų | 69.4 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -77.8 | -8 | 169.7 | -63.7 | 167.9 | -168.3 | 0 | 0 | 112 | I849 T850 | I849-M853 HydrophobicContact CB-CB 3.98Å; I849-M853 HydrophobicContact CB-SD 3.81Å; I849-M853 HydrophobicContact CG2-CB 4.36Å; I849-M853 HydrophobicContact CG2-SD 3.94Å; T850-M853 HydrophobicContact CG2-CE 4.29Å; T850-M853 PolarHBondContact N-SD 2.85Å; T850-M853 VanDerWaalsContact N-SD 3.41Å; T850-M853 PolarHBondContact O-N 3.26Å; T850-M853 WeakPolarHBondContact OG1-CG 3.4Å |
| 854 | R | 60.4 | Low | 61.8 | Low | 119 Ų | 119 | 69.6 Ų | 69.6 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -81 | 118.5 | 166.1 | -164.7 | -178.4 | -179.4 | -163.7 | -5.2 | 106.9 | T850 P851 D866 I868 | T850-R854 PolarHBondContact O-N 3.13Å; P851-R854 WeakPolarHBondContact O-CB 3.49Å; P851-R854 PolarHBondContact O-N 3.49Å; R854-D866 WeakPolarHBondContact CA-O 3.39Å; R854-D866 VanDerWaalsContact CG-O 3.26Å; R854-D866 WeakPolarHBondContact CG-O 3.42Å; R854-I868 PolarHBondContact NH2-O 2.7Å |
| 855 | C | 62.9 | Low | 62.2 | Low | 24 Ų | 24 | 67.5 Ų | 67.5 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 65.8 | 55.3 | 176.4 | -62.4 | 0 | 0 | 0 | 0 | 115.6 | D866 E867 A869 C870 | C855-D866 PolarHBondContact N-O 3.02Å; C855-E867 VanDerWaalsContact CA-OE1 3.28Å; C855-E867 WeakPolarHBondContact CA-OE1 3.33Å; C855-A869 PolarHBondContact SG-O 3.28Å; C855-A869 VanDerWaalsContact SG-O 3.4Å; C855-C870 HydrophobicContact CB-CB 3.33Å; C855-C870 WeakPolarHBondContact CB-SG 3.05Å; C855-C870 WeakPolarHBondContact SG-CA 3.1Å; C855-C870 WeakPolarHBondContact SG-CB 3.36Å; C855-C870 CovalentContact SG-SG 2.02Å; C855-C870 PolarHBondContact SG-SG 3.08Å |
| 856 | D | 59.7 | Low | 63 | Low | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -108.8 | -10.2 | 175.1 | 70.2 | 13.5 | 0 | 0 | 0 | 115.5 | I858 H860 E867 | D856-I858 WeakPolarHBondContact OD1-CB 3.31Å; D856-I858 PolarHBondContact OD1-N 2.85Å; D856-H860 IonicContact OD1-CD2 3.81Å; D856-H860 IonicContact OD2-CD2 3.52Å; D856-H860 IonicContact OD2-NE2 3.55Å; D856-E867 PolarHBondContact N-OE1 3.26Å |
| 857 | G | 62.4 | Low | 63.5 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 107.3 | 3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E867 | G857-E867 WeakPolarHBondContact CA-OE2 3.48Å; G857-E867 PolarHBondContact N-OE1 3.47Å; G857-E867 PolarHBondContact N-OE2 3.24Å |
| 858 | I | 59.9 | Low | 63.7 | Low | 95 Ų | 95 | 66.7 Ų | 66.7 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -134.5 | 131.7 | -170.6 | -52.3 | 177.6 | 0 | 0 | 0 | 110.6 | D856 H860 E867 | D856-I858 WeakPolarHBondContact OD1-CB 3.31Å; D856-I858 PolarHBondContact OD1-N 2.85Å; I858-H860 PolarHBondContact O-N 3.08Å; I858-E867 PolarHBondContact N-OE2 3.05Å |
| 859 | Q | 63.2 | Low | 62.9 | Low | 143 Ų | 143 | 69.7 Ų | 69.7 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | trans | -73.6 | 92.8 | 169.3 | -70 | -171.7 | -30.7 | 0 | 0 | 110.8 | E867 | Q859-E867 HydrophobicContact CG-CG 4.41Š| ||
| 860 | H | 59.5 | Low | 62.7 | Low | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | trans | -83.8 | -29.8 | 169.6 | -75 | -72.8 | 0 | 0 | 0 | 112.2 | I849 D856 I858 D866 | I849-H860 HydrophobicContact CG2-CB 4.04Å; D856-H860 IonicContact OD1-CD2 3.81Å; D856-H860 IonicContact OD2-CD2 3.52Å; D856-H860 IonicContact OD2-NE2 3.55Å; I858-H860 PolarHBondContact O-N 3.08Å; H860-D866 VanDerWaalsContact CA-OD2 3.25Å; H860-D866 WeakPolarHBondContact CA-OD2 3.3Å; H860-D866 WeakPolarHBondContact CB-OD2 3.43Å; H860-D866 PolarHBondContact N-OD2 3.46Å | ||
| 861 | C | 70.5 | Confident | 61.9 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.02 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -79.4 | 133.3 | 165 | -68 | 0 | 0 | 0 | 0 | 110.7 | C843 D863 G864 S865 D866 | C843-C861 HydrophobicContact CB-CB 3.83Å; C843-C861 WeakPolarHBondContact CB-SG 3.39Å; C843-C861 WeakPolarHBondContact SG-CA 3.49Å; C843-C861 WeakPolarHBondContact SG-CB 3.5Å; C843-C861 CovalentContact SG-SG 2.04Å; C843-C861 PolarHBondContact SG-SG 2.9Å; C861-D863 PolarHBondContact O-N 3.12Å; C861-G864 PolarHBondContact O-N 3.03Å; C861-S865 WeakPolarHBondContact CB-OG 3.29Å; C861-S865 PolarHBondContact SG-OG 2.68Å; C861-D866 HydrophobicContact CB-CB 4.3Å; C861-D866 PolarHBondContact N-OD2 3.39Å |
| 862 | R | 71.6 | Confident | 61.2 | Low | 209 Ų | 209 | 78.5 Ų | 78.5 | 79% | 0.789 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14 | 173.9 | -86.6 | -174.8 | 173.5 | 128.9 | -4.2 | 115 | E847 | E847-R862 IonicContact OE1-NH1 3.18Å; E847-R862 PolarHBondContact OE1-NH1 2.9Å |
| 863 | D | 60.3 | Low | 61.1 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 59% | 0.594 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -0.4 | -179 | -159.1 | 41.6 | 0 | 0 | 0 | 112.2 | S844 C861 S865 | S844-D863 WeakPolarHBondContact CB-OD2 3.4Å; S844-D863 VanDerWaalsContact OG-CB 3.32Å; S844-D863 WeakPolarHBondContact OG-CB 3.33Å; S844-D863 PolarHBondContact OG-OD2 3.16Å; C861-D863 PolarHBondContact O-N 3.12Å; D863-S865 PolarHBondContact O-N 2.94Å |
| 864 | G | 62.4 | Low | 60.3 | Low | 10 Ų | 10 | 80.3 Ų | 80.3 | 10% | 0.103 | 43% | 0.432 | C | S | . | . | trans | 66.6 | 13.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C861 D866 | C861-G864 PolarHBondContact O-N 3.03Å; G864-D866 WeakPolarHBondContact CA-OD1 3.38Å; G864-D866 PolarHBondContact O-N 2.84Å | ||
| 865 | S | 73.4 | Confident | 60.2 | Low | 38 Ų | 38 | 83.2 Ų | 83.2 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.7 | -175.3 | 49 | 0 | 0 | 0 | 0 | 115.2 | S844 C861 D863 I868 | S844-S865 PolarHBondContact OG-OG 2.89Å; C861-S865 WeakPolarHBondContact CB-OG 3.29Å; C861-S865 PolarHBondContact SG-OG 2.68Å; D863-S865 PolarHBondContact O-N 2.94Å; S865-I868 WeakPolarHBondContact O-CG1 3.28Å |
| 866 | D | 70.6 | Confident | 59.8 | Low | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.005 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -30 | -177.5 | 48.8 | -20.3 | 0 | 0 | 0 | 113.7 | I849 R854 C855 H860 C861 G864 I868 | I849-D866 HydrophobicContact CD1-CB 3.72Å; R854-D866 WeakPolarHBondContact CA-O 3.39Å; R854-D866 VanDerWaalsContact CG-O 3.26Å; R854-D866 WeakPolarHBondContact CG-O 3.42Å; C855-D866 PolarHBondContact N-O 3.02Å; H860-D866 VanDerWaalsContact CA-OD2 3.25Å; H860-D866 WeakPolarHBondContact CA-OD2 3.3Å; H860-D866 WeakPolarHBondContact CB-OD2 3.43Å; H860-D866 PolarHBondContact N-OD2 3.46Å; C861-D866 HydrophobicContact CB-CB 4.3Å; C861-D866 PolarHBondContact N-OD2 3.39Å; G864-D866 WeakPolarHBondContact CA-OD1 3.38Å; G864-D866 PolarHBondContact O-N 2.84Å; D866-I868 PolarHBondContact O-N 2.72Å |
| 867 | E | 72.3 | Confident | 59.3 | Low | 61 Ų | 61 | 88.4 Ų | 88.4 | 29% | 0.285 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -86.7 | 23.2 | -179.7 | -77 | -75.8 | 98.4 | 0 | 0 | 113.6 | C855 D856 G857 I858 Q859 | C855-E867 VanDerWaalsContact CA-OE1 3.28Å; C855-E867 WeakPolarHBondContact CA-OE1 3.33Å; D856-E867 PolarHBondContact N-OE1 3.26Å; G857-E867 WeakPolarHBondContact CA-OE2 3.48Å; G857-E867 PolarHBondContact N-OE1 3.47Å; G857-E867 PolarHBondContact N-OE2 3.24Å; I858-E867 PolarHBondContact N-OE2 3.05Å; Q859-E867 HydrophobicContact CG-CG 4.41Å |
| 868 | I | 62.5 | Low | 59.5 | Low | 105 Ų | 105 | 88.6 Ų | 88.6 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -121.7 | 122.6 | -175.7 | 53.3 | 171.3 | 0 | 0 | 0 | 114.2 | R854 S865 D866 | R854-I868 PolarHBondContact NH2-O 2.7Å; S865-I868 WeakPolarHBondContact O-CG1 3.28Å; D866-I868 PolarHBondContact O-N 2.72Å |
| 869 | A | 47.8 | Very low | 59.7 | Low | 85 Ų | 85 | 86.4 Ų | 86.4 | 70% | 0.702 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 67.2 | 96 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C855 | C855-A869 PolarHBondContact SG-O 3.28Å; C855-A869 VanDerWaalsContact SG-O 3.4Å |
| 870 | C | 54.2 | Low | 60 | Low | 69 Ų | 69 | 81.6 Ų | 81.6 | 47% | 0.466 | 44% | 0.435 | S | S | . | . | trans | -133.5 | 117.3 | -154.1 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | C855 | C855-C870 HydrophobicContact CB-CB 3.33Å; C855-C870 WeakPolarHBondContact CB-SG 3.05Å; C855-C870 WeakPolarHBondContact SG-CA 3.1Å; C855-C870 WeakPolarHBondContact SG-CB 3.36Å; C855-C870 CovalentContact SG-SG 2.02Å; C855-C870 PolarHBondContact SG-SG 3.08Å | ||
| 871 | P | 45 | Very low | 60.3 | Low | 113 Ų | 113 | 77.7 Ų | 77.7 | 73% | 0.734 | 42% | 0.417 | S | S | * | . | trans | -78.4 | 148.6 | 174.6 | -17.1 | 33 | 0 | 0 | 0 | 114.1 | ||||
| 872 | P | 44.5 | Very low | 59.9 | Low | 92 Ų | 92 | 81.6 Ų | 81.6 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | trans | -80.8 | 178.3 | -173.7 | -18.5 | 36.6 | 0 | 0 | 0 | 116.7 | Q880 | P872-Q880 VanDerWaalsContact CB-CD 3.45Å; P872-Q880 HydrophobicContact CB-CG 4.25Å; P872-Q880 PolarHBondContact O-OE1 2.71Å | ||
| 873 | R | 55.3 | Low | 59.3 | Low | 176 Ų | 176 | 74 Ų | 74 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | trans | -124 | 128.7 | -174.9 | -61 | 172.5 | 173.5 | 159.9 | -3.8 | 114 | Q880 C886 | R873-Q880 VanDerWaalsContact C-CD 3.48Å; R873-Q880 VanDerWaalsContact C-NE2 3.34Å; R873-Q880 VanDerWaalsContact CA-OE1 3.27Å; R873-Q880 PolarHBondContact O-NE2 3.19Å; R873-Q880 PolarHBondContact O-OE1 3.28Å; R873-C886 PolarHBondContact O-SG 2.79Å | ||
| 874 | C | 48.9 | Very low | 59.5 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | trans | -141.8 | 173.9 | 163.9 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | Q880 C886 | C874-Q880 HydrophobicContact CB-CB 4.03Å; C874-Q880 WeakPolarHBondContact SG-CB 3.43Å; C874-Q880 VanDerWaalsContact SG-CG 3.51Å; C874-Q880 PolarHBondContact SG-NE2 2.73Å; C874-C886 WeakPolarHBondContact CA-SG 3.43Å; C874-C886 HydrophobicContact CB-CB 3.99Å; C874-C886 WeakPolarHBondContact CB-SG 3.48Å; C874-C886 WeakPolarHBondContact SG-CA 3.36Å; C874-C886 WeakPolarHBondContact SG-CB 3.41Å; C874-C886 CovalentContact SG-SG 2.03Å; C874-C886 PolarHBondContact SG-SG 2.71Å | ||
| 875 | R | 58.3 | Low | 59.4 | Low | 180 Ų | 180 | 74.5 Ų | 74.5 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | trans | -91.4 | 159.4 | -175.7 | -66.1 | -174.5 | 173.3 | 83 | 1.1 | 113.8 | G877 Q878 | R875-G877 PolarHBondContact O-N 3.14Å; R875-Q878 HydrophobicContact CB-CB 4.41Å; R875-Q878 HydrophobicContact CB-CG 4.3Å; R875-Q878 WeakPolarHBondContact O-CA 3.37Å; R875-Q878 WeakPolarHBondContact O-CB 3.4Å; R875-Q878 PolarHBondContact O-N 3.12Å; R875-Q878 VanDerWaalsContact O-O 3.07Å | ||
| 876 | P | 53.1 | Low | 59.3 | Low | 134 Ų | 134 | 75.2 Ų | 75.2 | 87% | 0.87 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.9 | 167 | -22.6 | 34 | 0 | 0 | 0 | 111.3 | Q878 | P876-Q878 PolarHBondContact O-N 3.22Š|
| 877 | G | 49.7 | Very low | 59 | Low | 41 Ų | 41 | 76 Ų | 76 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 3.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R875 Q889 | R875-G877 PolarHBondContact O-N 3.14Å; G877-Q889 WeakPolarHBondContact O-CB 3.35Å; G877-Q889 PolarHBondContact O-N 2.72Å |
| 878 | Q | 66.7 | Low | 58.7 | Low | 61 Ų | 61 | 77.7 Ų | 77.7 | 29% | 0.285 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.8 | 171.9 | -61.1 | -173.6 | -35.7 | 0 | 0 | 110.6 | R875 P876 I887 | R875-Q878 HydrophobicContact CB-CB 4.41Å; R875-Q878 HydrophobicContact CB-CG 4.3Å; R875-Q878 WeakPolarHBondContact O-CA 3.37Å; R875-Q878 WeakPolarHBondContact O-CB 3.4Å; R875-Q878 PolarHBondContact O-N 3.12Å; R875-Q878 VanDerWaalsContact O-O 3.07Å; P876-Q878 PolarHBondContact O-N 3.22Å; Q878-I887 CarbonylContact C-O 3.57Å; Q878-I887 WeakPolarHBondContact CA-O 3.48Å; Q878-I887 VanDerWaalsContact CB-O 3.27Å; Q878-I887 WeakPolarHBondContact CB-O 3.38Å |
| 879 | Y | 64.6 | Low | 58.9 | Low | 49 Ų | 49 | 79 Ų | 79 | 19% | 0.192 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 150.5 | 172.3 | 174.7 | -108.7 | 0 | 0 | 0 | 111 | C886 I887 R892 S903 D904 | Y879-C886 WeakPolarHBondContact O-CA 3.4Å; Y879-I887 HydrophobicContact CD1-CD1 4.18Å; Y879-I887 HydrophobicContact CD1-CG1 4.19Å; Y879-I887 PolarHBondContact N-O 2.89Å; Y879-I887 PolarHBondContact O-N 2.93Å; Y879-R892 HydrophobicContact CD1-CB 4.04Å; Y879-R892 HydrophobicContact CD1-CG 3.63Å; Y879-R892 VanDerWaalsContact CD2-CD 3.49Å; Y879-R892 HydrophobicContact CD2-CG 4.11Å; Y879-R892 HydrophobicContact CE1-CG 3.88Å; Y879-R892 HydrophobicContact CE2-CG 4.34Å; Y879-R892 VanDerWaalsContact CE2-NE 3.29Å; Y879-R892 HydrophobicContact CG-CB 4Å; Y879-R892 HydrophobicContact CG-CG 3.74Å; Y879-S903 PolarHBondContact OH-O 2.74Å; Y879-D904 HydrophobicContact CE1-CB 4.4Å |
| 880 | Q | 69.6 | Low | 59.5 | Low | 43 Ų | 43 | 82 Ų | 82 | 20% | 0.201 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.1 | 177.2 | -170.3 | 137.8 | 40.4 | 0 | 0 | 112.3 | P872 R873 C874 G884 | P872-Q880 VanDerWaalsContact CB-CD 3.45Å; P872-Q880 HydrophobicContact CB-CG 4.25Å; P872-Q880 PolarHBondContact O-OE1 2.71Å; R873-Q880 VanDerWaalsContact C-CD 3.48Å; R873-Q880 VanDerWaalsContact C-NE2 3.34Å; R873-Q880 VanDerWaalsContact CA-OE1 3.27Å; R873-Q880 PolarHBondContact O-NE2 3.19Å; R873-Q880 PolarHBondContact O-OE1 3.28Å; C874-Q880 HydrophobicContact CB-CB 4.03Å; C874-Q880 WeakPolarHBondContact SG-CB 3.43Å; C874-Q880 VanDerWaalsContact SG-CG 3.51Å; C874-Q880 PolarHBondContact SG-NE2 2.73Å; Q880-G884 PolarHBondContact NE2-O 3.28Å |
| 881 | C | 64.5 | Low | 60 | Low | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.02 | 44% | 0.437 | C | S | . | . | trans | -90.8 | 159.5 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | S883 G884 E885 C899 | C881-S883 PolarHBondContact O-N 2.77Å; C881-G884 WeakPolarHBondContact O-CA 3.44Å; C881-G884 PolarHBondContact O-N 3.29Å; C881-E885 PolarHBondContact N-O 3.16Å; C881-E885 VanDerWaalsContact N-O 3.1Å; C881-C899 HydrophobicContact CB-CB 3.51Å; C881-C899 WeakPolarHBondContact CB-SG 3.48Å; C881-C899 WeakPolarHBondContact SG-CB 3.45Å; C881-C899 CovalentContact SG-SG 2.01Å; C881-C899 PolarHBondContact SG-SG 3.42Å | ||
| 882 | S | 63.7 | Low | 60.6 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.9 | 175.5 | -50.8 | 0 | 0 | 0 | 0 | 113 | G884 S903 | S882-G884 PolarHBondContact O-N 3.25Å; S882-S903 VanDerWaalsContact CB-OG 3.29Å; S882-S903 WeakPolarHBondContact CB-OG 3.41Å; S882-S903 PolarHBondContact N-OG 2.83Å; S882-S903 VanDerWaalsContact N-OG 3.1Å; S882-S903 WeakPolarHBondContact OG-CB 3.36Å; S882-S903 PolarHBondContact OG-OG 2.78Å |
| 883 | S | 58.6 | Low | 61.6 | Low | 48 Ų | 48 | 75.2 Ų | 75.2 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -7 | 169.4 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | C881 | C881-S883 PolarHBondContact O-N 2.77Š|
| 884 | G | 62.9 | Low | 61.7 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 92.8 | -13.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q880 C881 S882 | Q880-G884 PolarHBondContact NE2-O 3.28Å; C881-G884 WeakPolarHBondContact O-CA 3.44Å; C881-G884 PolarHBondContact O-N 3.29Å; S882-G884 PolarHBondContact O-N 3.25Å |
| 885 | E | 61.6 | Low | 62.3 | Low | 98 Ų | 98 | 70.5 Ų | 70.5 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | trans | -67.8 | 153.8 | -178.6 | -54.2 | -70.5 | -173.5 | 0 | 0 | 112.8 | C881 | C881-E885 PolarHBondContact N-O 3.16Å; C881-E885 VanDerWaalsContact N-O 3.1Å | ||
| 886 | C | 70.5 | Confident | 62 | Low | 53 Ų | 53 | 67.8 Ų | 67.8 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.9 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | R873 C874 Y879 | R873-C886 PolarHBondContact O-SG 2.79Å; C874-C886 WeakPolarHBondContact CA-SG 3.43Å; C874-C886 HydrophobicContact CB-CB 3.99Å; C874-C886 WeakPolarHBondContact CB-SG 3.48Å; C874-C886 WeakPolarHBondContact SG-CA 3.36Å; C874-C886 WeakPolarHBondContact SG-CB 3.41Å; C874-C886 CovalentContact SG-SG 2.03Å; C874-C886 PolarHBondContact SG-SG 2.71Å; Y879-C886 WeakPolarHBondContact O-CA 3.4Å |
| 887 | I | 64.8 | Low | 62.5 | Low | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 159.1 | 175.4 | 62.5 | 178.7 | 0 | 0 | 0 | 110.2 | Q878 Y879 M891 D898 D904 | Q878-I887 CarbonylContact C-O 3.57Å; Q878-I887 WeakPolarHBondContact CA-O 3.48Å; Q878-I887 VanDerWaalsContact CB-O 3.27Å; Q878-I887 WeakPolarHBondContact CB-O 3.38Å; Y879-I887 HydrophobicContact CD1-CD1 4.18Å; Y879-I887 HydrophobicContact CD1-CG1 4.19Å; Y879-I887 PolarHBondContact N-O 2.89Å; Y879-I887 PolarHBondContact O-N 2.93Å; I887-M891 HydrophobicContact CB-CB 4.37Å; I887-M891 HydrophobicContact CB-CE 3.92Å; I887-M891 HydrophobicContact CD1-CB 4.04Å; I887-M891 WeakPolarHBondContact CD1-O 3.2Å; I887-M891 HydrophobicContact CG1-CB 4.44Å; I887-M891 HydrophobicContact CG2-CE 4.06Å; I887-D898 HydrophobicContact CG2-CB 4.5Å; I887-D904 HydrophobicContact CD1-CB 3.72Å |
| 888 | E | 65 | Low | 62.8 | Low | 98 Ų | 98 | 69 Ų | 69 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 148.8 | 173.7 | -67.1 | -170.2 | 155.5 | 0 | 0 | 111.3 | Q890 M891 | E888-Q890 HydrophobicContact CB-CG 3.99Å; E888-Q890 PolarHBondContact O-N 2.65Å; E888-Q890 PolarHBondContact OE2-NE2 2.74Å; E888-M891 PolarHBondContact O-N 2.83Å |
| 889 | Q | 67 | Low | 62.9 | Low | 132 Ų | 132 | 66.2 Ų | 66.2 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -61.3 | -23.1 | -173.1 | -171.6 | 171 | 4.1 | 0 | 0 | 113.2 | G877 M891 R892 | G877-Q889 WeakPolarHBondContact O-CB 3.35Å; G877-Q889 PolarHBondContact O-N 2.72Å; Q889-M891 VanDerWaalsContact C-N 3.32Å; Q889-R892 PolarHBondContact O-N 2.86Å |
| 890 | Q | 61.5 | Low | 62.9 | Low | 147 Ų | 147 | 74.1 Ų | 74.1 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -68.1 | -25 | 171.4 | 58.1 | -179.4 | -18 | 0 | 0 | 114.2 | E888 R892 | E888-Q890 HydrophobicContact CB-CG 3.99Å; E888-Q890 PolarHBondContact O-N 2.65Å; E888-Q890 PolarHBondContact OE2-NE2 2.74Å; Q890-R892 VanDerWaalsContact C-N 3.35Å |
| 891 | M | 65 | Low | 62.5 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -90.5 | 3.6 | 177.8 | -46.2 | -157 | -37.6 | 0 | 0 | 112.7 | I887 E888 Q889 C893 R896 D898 | I887-M891 HydrophobicContact CB-CB 4.37Å; I887-M891 HydrophobicContact CB-CE 3.92Å; I887-M891 HydrophobicContact CD1-CB 4.04Å; I887-M891 WeakPolarHBondContact CD1-O 3.2Å; I887-M891 HydrophobicContact CG1-CB 4.44Å; I887-M891 HydrophobicContact CG2-CE 4.06Å; E888-M891 PolarHBondContact O-N 2.83Å; Q889-M891 VanDerWaalsContact C-N 3.32Å; M891-C893 PolarHBondContact O-N 3.15Å; M891-R896 PolarHBondContact SD-NH2 3.44Å; M891-D898 HydrophobicContact CE-CB 4.01Å; M891-D898 VanDerWaalsContact CE-OD2 3.27Å; M891-D898 WeakPolarHBondContact CE-OD2 3.42Å |
| 892 | R | 57.5 | Low | 62.2 | Low | 77 Ų | 77 | 78.2 Ų | 78.2 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 119 | 170 | -167.7 | -171.4 | -178.6 | -151.1 | -8.5 | 109.6 | Y879 Q889 Q890 D894 R911 | Y879-R892 HydrophobicContact CD1-CB 4.04Å; Y879-R892 HydrophobicContact CD1-CG 3.63Å; Y879-R892 VanDerWaalsContact CD2-CD 3.49Å; Y879-R892 HydrophobicContact CD2-CG 4.11Å; Y879-R892 HydrophobicContact CE1-CG 3.88Å; Y879-R892 HydrophobicContact CE2-CG 4.34Å; Y879-R892 VanDerWaalsContact CE2-NE 3.29Å; Y879-R892 HydrophobicContact CG-CB 4Å; Y879-R892 HydrophobicContact CG-CG 3.74Å; Q889-R892 PolarHBondContact O-N 2.86Å; Q890-R892 VanDerWaalsContact C-N 3.35Å; R892-D894 VanDerWaalsContact C-N 3.35Å; R892-D894 PolarHBondContact O-N 2.92Å; R892-R911 PolarHBondContact O-NH1 2.91Å; R892-R911 PolarHBondContact O-NH2 3.04Å |
| 893 | C | 65.8 | Low | 62.3 | Low | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 42.7 | -175.4 | 14.1 | 0 | 0 | 0 | 0 | 115.3 | M891 G895 D904 E905 C908 R911 | M891-C893 PolarHBondContact O-N 3.15Å; C893-G895 PolarHBondContact O-N 3.29Å; C893-D904 VanDerWaalsContact CA-O 3.31Å; C893-D904 WeakPolarHBondContact CA-O 3.4Å; C893-D904 VanDerWaalsContact CB-O 3.23Å; C893-D904 WeakPolarHBondContact CB-O 3.36Å; C893-D904 PolarHBondContact N-O 2.73Å; C893-D904 PolarHBondContact SG-O 2.7Å; C893-E905 VanDerWaalsContact CA-CD 3.42Å; C893-E905 WeakPolarHBondContact CA-OE1 3.32Å; C893-E905 WeakPolarHBondContact CA-OE2 3.44Å; C893-E905 WeakPolarHBondContact CB-OE2 3.45Å; C893-C908 HydrophobicContact CB-CB 4.05Å; C893-C908 WeakPolarHBondContact CB-SG 3.49Å; C893-C908 WeakPolarHBondContact SG-CB 3.12Å; C893-C908 CovalentContact SG-SG 2.04Å; C893-C908 PolarHBondContact SG-SG 2.84Å; C893-R911 VanDerWaalsContact C-NH1 3.26Å; C893-R911 HydrophobicContact CB-CG 4.16Å; C893-R911 VanDerWaalsContact CB-CZ 3.48Å; C893-R911 WeakPolarHBondContact O-CD 3.27Å; C893-R911 VanDerWaalsContact O-CZ 3.31Å; C893-R911 PolarHBondContact O-NH1 2.92Å; C893-R911 PolarHBondContact SG-NE 2.84Å; C893-R911 PolarHBondContact SG-NH2 2.93Å |
| 894 | D | 55.7 | Low | 62.6 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -82.1 | 7.6 | -176.9 | 80.5 | -1.7 | 0 | 0 | 0 | 114.8 | R892 R896 E905 | R892-D894 VanDerWaalsContact C-N 3.35Å; R892-D894 PolarHBondContact O-N 2.92Å; D894-R896 VanDerWaalsContact OD1-CB 3.26Å; D894-R896 WeakPolarHBondContact OD1-CB 3.44Å; D894-R896 WeakPolarHBondContact OD1-CG 3.37Å; D894-R896 IonicContact OD1-CZ 3.5Å; D894-R896 PolarHBondContact OD1-N 3.41Å; D894-R896 VanDerWaalsContact OD1-N 3.12Å; D894-R896 IonicContact OD1-NE 3.01Å; D894-R896 PolarHBondContact OD1-NE 3.22Å; D894-R896 VanDerWaalsContact OD1-NE 3.08Å; D894-R896 IonicContact OD1-NH2 3.12Å; D894-R896 IonicContact OD2-CZ 3.09Å; D894-R896 IonicContact OD2-NE 3.49Å; D894-R896 PolarHBondContact OD2-NE 2.62Å; D894-R896 VanDerWaalsContact OD2-NE 3.09Å; D894-R896 IonicContact OD2-NH2 2.94Å; D894-R896 PolarHBondContact OD2-NH2 2.75Å; D894-E905 PolarHBondContact N-OE1 2.77Å |
| 895 | G | 61.8 | Low | 62.7 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 93 | 4.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C893 E905 | C893-G895 PolarHBondContact O-N 3.29Å; G895-E905 VanDerWaalsContact CA-OE1 3.29Å; G895-E905 WeakPolarHBondContact CA-OE1 3.02Å; G895-E905 PolarHBondContact N-OE1 3.11Å |
| 896 | R | 53.3 | Low | 62.7 | Low | 123 Ų | 123 | 72.2 Ų | 72.2 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -123.9 | 141.7 | 179.4 | -54 | 176.8 | -61.8 | -177.3 | 17.5 | 110.3 | M891 D894 D898 | M891-R896 PolarHBondContact SD-NH2 3.44Å; D894-R896 VanDerWaalsContact OD1-CB 3.26Å; D894-R896 WeakPolarHBondContact OD1-CB 3.44Å; D894-R896 WeakPolarHBondContact OD1-CG 3.37Å; D894-R896 IonicContact OD1-CZ 3.5Å; D894-R896 PolarHBondContact OD1-N 3.41Å; D894-R896 VanDerWaalsContact OD1-N 3.12Å; D894-R896 IonicContact OD1-NE 3.01Å; D894-R896 PolarHBondContact OD1-NE 3.22Å; D894-R896 VanDerWaalsContact OD1-NE 3.08Å; D894-R896 IonicContact OD1-NH2 3.12Å; D894-R896 IonicContact OD2-CZ 3.09Å; D894-R896 IonicContact OD2-NE 3.49Å; D894-R896 PolarHBondContact OD2-NE 2.62Å; D894-R896 VanDerWaalsContact OD2-NE 3.09Å; D894-R896 IonicContact OD2-NH2 2.94Å; D894-R896 PolarHBondContact OD2-NH2 2.75Å; R896-D898 IonicContact CZ-OD2 3.84Å; R896-D898 IonicContact NE-OD2 3.08Å; R896-D898 PolarHBondContact NE-OD2 3.03Å; R896-D898 IonicContact NH2-OD2 2.68Å; R896-D898 PolarHBondContact NH2-OD2 2.88Å; R896-D898 PolarHBondContact O-N 2.72Å |
| 897 | Q | 62.7 | Low | 61.9 | Low | 134 Ų | 134 | 73.2 Ų | 73.2 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | trans | -80.2 | 68.9 | 170.4 | -170.7 | -179.4 | 24.8 | 0 | 0 | 109.3 | C899 A902 | Q897-C899 VanDerWaalsContact CG-O 3.23Å; Q897-C899 WeakPolarHBondContact CG-O 3.08Å; Q897-C899 PolarHBondContact O-N 3.04Å; Q897-A902 HydrophobicContact CG-CB 4.31Å | ||
| 898 | D | 56.6 | Low | 61.3 | Low | 67 Ų | 67 | 73.5 Ų | 73.5 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | trans | -73.2 | -19.3 | 176.4 | -75.9 | -18.4 | 0 | 0 | 0 | 110.6 | I887 M891 R896 D904 | I887-D898 HydrophobicContact CG2-CB 4.5Å; M891-D898 HydrophobicContact CE-CB 4.01Å; M891-D898 VanDerWaalsContact CE-OD2 3.27Å; M891-D898 WeakPolarHBondContact CE-OD2 3.42Å; R896-D898 IonicContact CZ-OD2 3.84Å; R896-D898 IonicContact NE-OD2 3.08Å; R896-D898 PolarHBondContact NE-OD2 3.03Å; R896-D898 IonicContact NH2-OD2 2.68Å; R896-D898 PolarHBondContact NH2-OD2 2.88Å; R896-D898 PolarHBondContact O-N 2.72Å; D898-D904 WeakPolarHBondContact CA-OD2 3.38Å; D898-D904 PolarHBondContact N-OD2 2.76Å | ||
| 899 | C | 68.7 | Low | 60.4 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -105.4 | 137.5 | 171 | -81.6 | 0 | 0 | 0 | 0 | 115.1 | C881 Q897 D901 A902 D904 | C881-C899 HydrophobicContact CB-CB 3.51Å; C881-C899 WeakPolarHBondContact CB-SG 3.48Å; C881-C899 WeakPolarHBondContact SG-CB 3.45Å; C881-C899 CovalentContact SG-SG 2.01Å; C881-C899 PolarHBondContact SG-SG 3.42Å; Q897-C899 VanDerWaalsContact CG-O 3.23Å; Q897-C899 WeakPolarHBondContact CG-O 3.08Å; Q897-C899 PolarHBondContact O-N 3.04Å; C899-D901 PolarHBondContact O-N 2.95Å; C899-A902 PolarHBondContact O-N 3.33Å; C899-D904 HydrophobicContact CB-CB 4.27Å; C899-D904 WeakPolarHBondContact CB-OD2 3.2Å; C899-D904 PolarHBondContact N-OD2 2.85Å |
| 900 | R | 64.8 | Low | 59.3 | Low | 216 Ų | 216 | 70.6 Ų | 70.6 | 82% | 0.815 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.3 | -169.6 | -136.3 | 174 | -171.3 | 162.7 | 1.6 | 116.7 | ||
| 901 | D | 60.9 | Low | 58.4 | Low | 98 Ų | 98 | 69.6 Ų | 69.6 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 25.1 | 180 | -172 | 51.1 | 0 | 0 | 0 | 110.9 | C899 S903 | C899-D901 PolarHBondContact O-N 2.95Å; D901-S903 PolarHBondContact O-N 3Å; D901-S903 PolarHBondContact O-OG 2.88Å; D901-S903 VanDerWaalsContact O-OG 3.11Å |
| 902 | A | 58.3 | Low | 57.4 | Low | 34 Ų | 34 | 68.4 Ų | 68.4 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 52.5 | 15.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q897 C899 D904 E905 T906 | Q897-A902 HydrophobicContact CG-CB 4.31Å; C899-A902 PolarHBondContact O-N 3.33Å; A902-D904 VanDerWaalsContact C-N 3.29Å; A902-D904 WeakPolarHBondContact CA-OD1 2.95Å; A902-D904 PolarHBondContact O-N 2.88Å; A902-E905 WeakPolarHBondContact O-CA 3.47Å; A902-E905 PolarHBondContact O-N 2.85Å; A902-T906 PolarHBondContact O-N 2.74Å |
| 903 | S | 64.6 | Low | 56.9 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -75.2 | -23.8 | -163 | -25.1 | 0 | 0 | 0 | 0 | 113.3 | Y879 S882 D901 E905 T906 | Y879-S903 PolarHBondContact OH-O 2.74Å; S882-S903 VanDerWaalsContact CB-OG 3.29Å; S882-S903 WeakPolarHBondContact CB-OG 3.41Å; S882-S903 PolarHBondContact N-OG 2.83Å; S882-S903 VanDerWaalsContact N-OG 3.1Å; S882-S903 WeakPolarHBondContact OG-CB 3.36Å; S882-S903 PolarHBondContact OG-OG 2.78Å; D901-S903 PolarHBondContact O-N 3Å; D901-S903 PolarHBondContact O-OG 2.88Å; D901-S903 VanDerWaalsContact O-OG 3.11Å; S903-E905 PolarHBondContact O-N 2.68Å; S903-T906 VanDerWaalsContact CA-OG1 3.27Å; S903-T906 WeakPolarHBondContact CA-OG1 3.36Å; S903-T906 PolarHBondContact O-N 2.87Å; S903-T906 PolarHBondContact O-OG1 3.02Å |
| 904 | D | 66.3 | Low | 55.9 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -53.3 | -32.7 | 163.7 | 44.8 | -4.8 | 0 | 0 | 0 | 113.3 | Y879 I887 C893 D898 C899 A902 C908 | Y879-D904 HydrophobicContact CE1-CB 4.4Å; I887-D904 HydrophobicContact CD1-CB 3.72Å; C893-D904 VanDerWaalsContact CA-O 3.31Å; C893-D904 WeakPolarHBondContact CA-O 3.4Å; C893-D904 VanDerWaalsContact CB-O 3.23Å; C893-D904 WeakPolarHBondContact CB-O 3.36Å; C893-D904 PolarHBondContact N-O 2.73Å; C893-D904 PolarHBondContact SG-O 2.7Å; D898-D904 WeakPolarHBondContact CA-OD2 3.38Å; D898-D904 PolarHBondContact N-OD2 2.76Å; C899-D904 HydrophobicContact CB-CB 4.27Å; C899-D904 WeakPolarHBondContact CB-OD2 3.2Å; C899-D904 PolarHBondContact N-OD2 2.85Å; A902-D904 VanDerWaalsContact C-N 3.29Å; A902-D904 WeakPolarHBondContact CA-OD1 2.95Å; A902-D904 PolarHBondContact O-N 2.88Å; D904-C908 PolarHBondContact O-SG 3.09Å |
| 905 | E | 64.9 | Low | 55.3 | Low | 71 Ų | 71 | 77.4 Ų | 77.4 | 33% | 0.332 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -93.8 | -1.7 | 173.2 | -63.8 | -67.7 | 165.8 | 0 | 0 | 113.8 | C893 D894 G895 A902 S903 | C893-E905 VanDerWaalsContact CA-CD 3.42Å; C893-E905 WeakPolarHBondContact CA-OE1 3.32Å; C893-E905 WeakPolarHBondContact CA-OE2 3.44Å; C893-E905 WeakPolarHBondContact CB-OE2 3.45Å; D894-E905 PolarHBondContact N-OE1 2.77Å; G895-E905 VanDerWaalsContact CA-OE1 3.29Å; G895-E905 WeakPolarHBondContact CA-OE1 3.02Å; G895-E905 PolarHBondContact N-OE1 3.11Å; A902-E905 WeakPolarHBondContact O-CA 3.47Å; A902-E905 PolarHBondContact O-N 2.85Å; S903-E905 PolarHBondContact O-N 2.68Å |
| 906 | T | 60.5 | Low | 55.2 | Low | 69 Ų | 69 | 75.7 Ų | 75.7 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -96.5 | 144.3 | -179.3 | 66.8 | 0 | 0 | 0 | 0 | 114 | A902 S903 C908 | A902-T906 PolarHBondContact O-N 2.74Å; S903-T906 VanDerWaalsContact CA-OG1 3.27Å; S903-T906 WeakPolarHBondContact CA-OG1 3.36Å; S903-T906 PolarHBondContact O-N 2.87Å; S903-T906 PolarHBondContact O-OG1 3.02Å; T906-C908 PolarHBondContact O-N 3.03Å |
| 907 | G | 54.9 | Low | 55.5 | Low | 74 Ų | 74 | 72.4 Ų | 72.4 | 76% | 0.763 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 62.3 | 10.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 908 | C | 51.4 | Low | 55.7 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | trans | -64.7 | 134.7 | 161.2 | -51.2 | 0 | 0 | 0 | 0 | 106.7 | C893 D904 T906 R911 | C893-C908 HydrophobicContact CB-CB 4.05Å; C893-C908 WeakPolarHBondContact CB-SG 3.49Å; C893-C908 WeakPolarHBondContact SG-CB 3.12Å; C893-C908 CovalentContact SG-SG 2.04Å; C893-C908 PolarHBondContact SG-SG 2.84Å; D904-C908 PolarHBondContact O-SG 3.09Å; T906-C908 PolarHBondContact O-N 3.03Å; C908-R911 HydrophobicContact CB-CG 4.21Å | ||
| 909 | P | 46.3 | Very low | 56.1 | Low | 104 Ų | 104 | 67.9 Ų | 67.9 | 68% | 0.675 | 36% | 0.362 | S | S | * | . | trans | -48.6 | 141.3 | 156.5 | -21.3 | 32.9 | 0 | 0 | 0 | 107.4 | R911 | P909-R911 PolarHBondContact O-N 2.73Š| ||
| 910 | P | 44.2 | Very low | 55.8 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | trans | -42.1 | 122.3 | 176.6 | -30.3 | 36.5 | 0 | 0 | 0 | 108.3 | C912 Q918 C924 | P910-C912 PolarHBondContact O-N 3.44Å; P910-Q918 HydrophobicContact CB-CG 4.34Å; P910-C924 VanDerWaalsContact C-SG 3.56Å; P910-C924 WeakPolarHBondContact CB-SG 3.34Å | ||
| 911 | R | 42 | Very low | 55.4 | Low | 126 Ų | 126 | 63.5 Ų | 63.5 | 48% | 0.475 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -76.7 | 45.4 | -163.9 | -88.5 | -117.7 | 167.5 | 160.9 | -0.5 | 113 | R892 C893 C908 P909 R913 Q916 | R892-R911 PolarHBondContact O-NH1 2.91Å; R892-R911 PolarHBondContact O-NH2 3.04Å; C893-R911 VanDerWaalsContact C-NH1 3.26Å; C893-R911 HydrophobicContact CB-CG 4.16Å; C893-R911 VanDerWaalsContact CB-CZ 3.48Å; C893-R911 WeakPolarHBondContact O-CD 3.27Å; C893-R911 VanDerWaalsContact O-CZ 3.31Å; C893-R911 PolarHBondContact O-NH1 2.92Å; C893-R911 PolarHBondContact SG-NE 2.84Å; C893-R911 PolarHBondContact SG-NH2 2.93Å; C908-R911 HydrophobicContact CB-CG 4.21Å; P909-R911 PolarHBondContact O-N 2.73Å; R911-R913 PolarHBondContact O-N 3.18Å; R911-Q916 PolarHBondContact O-OE1 3.25Å |
| 912 | C | 44.4 | Very low | 55.3 | Low | 24 Ų | 24 | 61.2 Ų | 61.2 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | trans | -73.6 | 89.6 | 152.9 | -68.6 | 0 | 0 | 0 | 0 | 110.2 | P910 Q916 Y917 C924 | P910-C912 PolarHBondContact O-N 3.44Å; C912-Q916 HydrophobicContact CB-CB 3.49Å; C912-Q916 VanDerWaalsContact CB-CB 3.49Å; C912-Y917 PolarHBondContact SG-O 3.13Å; C912-C924 HydrophobicContact CB-CB 4.27Å; C912-C924 WeakPolarHBondContact CB-SG 3.36Å; C912-C924 PolarHBondContact N-SG 3.36Å; C912-C924 WeakPolarHBondContact SG-CA 3.21Å; C912-C924 WeakPolarHBondContact SG-CB 3.17Å; C912-C924 CovalentContact SG-SG 2.04Å; C912-C924 PolarHBondContact SG-SG 3.3Å | ||
| 913 | R | 46.5 | Very low | 55.1 | Low | 180 Ų | 180 | 63.7 Ų | 63.7 | 68% | 0.679 | 37% | 0.37 | S | S | * | . | trans | -49.4 | 128.3 | 163.5 | -61.1 | -179.6 | 176.6 | 101 | 2.7 | 109.7 | R911 G915 Q916 | R911-R913 PolarHBondContact O-N 3.18Å; R913-G915 CarbonylContact O-C 3.54Å; R913-G915 VanDerWaalsContact O-CA 3.29Å; R913-G915 WeakPolarHBondContact O-CA 3.46Å; R913-G915 PolarHBondContact O-N 3.26Å; R913-Q916 HydrophobicContact CB-CG 4.44Å; R913-Q916 WeakPolarHBondContact O-CA 3.21Å; R913-Q916 WeakPolarHBondContact O-CB 3.45Å; R913-Q916 PolarHBondContact O-N 3.22Å | ||
| 914 | P | 45.6 | Very low | 54.9 | Low | 134 Ų | 134 | 65.9 Ų | 65.9 | 87% | 0.87 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -49.7 | 112 | 179.4 | -30.3 | 36.7 | 0 | 0 | 0 | 112.6 | ||
| 915 | G | 41.9 | Very low | 54.4 | Low | 15 Ų | 15 | 66.8 Ų | 66.8 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 112.5 | 8.2 | -144.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R913 Q927 | R913-G915 CarbonylContact O-C 3.54Å; R913-G915 VanDerWaalsContact O-CA 3.29Å; R913-G915 WeakPolarHBondContact O-CA 3.46Å; R913-G915 PolarHBondContact O-N 3.26Å; G915-Q927 WeakPolarHBondContact O-CB 3.37Å; G915-Q927 PolarHBondContact O-N 3Å |
| 916 | Q | 59.5 | Low | 54 | Low | 32 Ų | 32 | 66.7 Ų | 66.7 | 15% | 0.15 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 136.7 | 174.2 | -77 | 170.3 | -7.7 | 0 | 0 | 107.8 | R911 C912 R913 I925 E926 Q927 | R911-Q916 PolarHBondContact O-OE1 3.25Å; C912-Q916 HydrophobicContact CB-CB 3.49Å; C912-Q916 VanDerWaalsContact CB-CB 3.49Å; R913-Q916 HydrophobicContact CB-CG 4.44Å; R913-Q916 WeakPolarHBondContact O-CA 3.21Å; R913-Q916 WeakPolarHBondContact O-CB 3.45Å; R913-Q916 PolarHBondContact O-N 3.22Å; Q916-I925 CarbonylContact C-O 3.54Å; Q916-I925 VanDerWaalsContact C-O 3.32Å; Q916-I925 WeakPolarHBondContact CA-O 3.22Å; Q916-I925 WeakPolarHBondContact CB-O 3.22Å; Q916-E926 HydrophobicContact CB-CG 4.48Å; Q916-E926 HydrophobicContact CG-CB 4.23Å; Q916-E926 HydrophobicContact CG-CG 3.27Å; Q916-E926 PolarHBondContact NE2-OE1 3.16Å; Q916-Q927 VanDerWaalsContact CA-N 3.34Å |
| 917 | Y | 59.5 | Low | 54 | Low | 55 Ų | 55 | 66.9 Ų | 66.9 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 143.3 | 179.4 | 172.8 | -106.7 | 0 | 0 | 0 | 110.1 | C912 I925 R930 D942 | C912-Y917 PolarHBondContact SG-O 3.13Å; Y917-I925 HydrophobicContact CD1-CD1 4.22Å; Y917-I925 HydrophobicContact CD1-CG1 4.3Å; Y917-I925 PolarHBondContact N-O 3.4Å; Y917-I925 WeakPolarHBondContact O-CG1 3.48Å; Y917-I925 PolarHBondContact O-N 2.94Å; Y917-I925 VanDerWaalsContact O-O 3.06Å; Y917-R930 HydrophobicContact CD1-CB 4.02Å; Y917-R930 HydrophobicContact CD1-CG 3.72Å; Y917-R930 HydrophobicContact CD2-CG 4.21Å; Y917-R930 HydrophobicContact CE1-CG 4.01Å; Y917-R930 HydrophobicContact CE2-CG 4.46Å; Y917-R930 HydrophobicContact CG-CB 4.03Å; Y917-R930 HydrophobicContact CG-CG 3.84Å; Y917-D942 HydrophobicContact CD1-CB 4.44Å; Y917-D942 HydrophobicContact CE1-CB 4.24Å |
| 918 | Q | 68.7 | Low | 54 | Low | 100 Ų | 100 | 66.1 Ų | 66.1 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.9 | -178.7 | -172.5 | -173.5 | -19.1 | 0 | 0 | 110.7 | P910 | P910-Q918 HydrophobicContact CB-CG 4.34Å |
| 919 | C | 63.6 | Low | 54.3 | Low | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 145.8 | -179 | -107 | 0 | 0 | 0 | 0 | 114.1 | S921 G922 E923 C937 | C919-S921 PolarHBondContact O-N 2.76Å; C919-G922 PolarHBondContact O-N 3.27Å; C919-E923 HydrophobicContact CB-CB 4Å; C919-E923 WeakPolarHBondContact CB-O 3.48Å; C919-E923 PolarHBondContact N-O 3.29Å; C919-C937 HydrophobicContact CB-CB 4.33Å; C919-C937 WeakPolarHBondContact CB-SG 3.11Å; C919-C937 WeakPolarHBondContact SG-CA 3.23Å; C919-C937 WeakPolarHBondContact SG-CB 3.47Å; C919-C937 CovalentContact SG-SG 2.03Å; C919-C937 PolarHBondContact SG-SG 2.84Å |
| 920 | S | 63 | Low | 54.7 | Low | 81 Ų | 81 | 64.7 Ų | 64.7 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.7 | 168.5 | -50.8 | 0 | 0 | 0 | 0 | 113 | G922 S941 | S920-G922 VanDerWaalsContact C-N 3.32Å; S920-S941 VanDerWaalsContact CB-OG 3.25Å; S920-S941 WeakPolarHBondContact CB-OG 3.45Å; S920-S941 WeakPolarHBondContact OG-CB 3.42Å; S920-S941 PolarHBondContact OG-OG 2.72Å |
| 921 | S | 57 | Low | 55.4 | Low | 44 Ų | 44 | 63.3 Ų | 63.3 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.4 | 175.1 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | C919 C937 R938 | C919-S921 PolarHBondContact O-N 2.76Å; S921-C937 PolarHBondContact OG-SG 3.12Å; S921-C937 VanDerWaalsContact OG-SG 3.36Å; S921-R938 PolarHBondContact OG-N 2.02Å |
| 922 | G | 58.3 | Low | 55.9 | Low | 50 Ų | 50 | 57.7 Ų | 57.7 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 99.9 | -9.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | C919 S920 | C919-G922 PolarHBondContact O-N 3.27Å; S920-G922 VanDerWaalsContact C-N 3.32Å |
| 923 | E | 55.1 | Low | 56.6 | Low | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | trans | -69.1 | 160.9 | 176.7 | -53.8 | -66.1 | 171.5 | 0 | 0 | 112.1 | C919 R938 | C919-E923 HydrophobicContact CB-CB 4Å; C919-E923 WeakPolarHBondContact CB-O 3.48Å; C919-E923 PolarHBondContact N-O 3.29Å; E923-R938 IonicContact OE1-NH1 3.28Å | ||
| 924 | C | 60.3 | Low | 56.8 | Low | 48 Ų | 48 | 54.9 Ų | 54.9 | 32% | 0.324 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | 174 | -105.3 | 0 | 0 | 0 | 0 | 110.7 | P910 C912 | P910-C924 VanDerWaalsContact C-SG 3.56Å; P910-C924 WeakPolarHBondContact CB-SG 3.34Å; C912-C924 HydrophobicContact CB-CB 4.27Å; C912-C924 WeakPolarHBondContact CB-SG 3.36Å; C912-C924 PolarHBondContact N-SG 3.36Å; C912-C924 WeakPolarHBondContact SG-CA 3.21Å; C912-C924 WeakPolarHBondContact SG-CB 3.17Å; C912-C924 CovalentContact SG-SG 2.04Å; C912-C924 PolarHBondContact SG-SG 3.3Å |
| 925 | I | 55.3 | Low | 57.4 | Low | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 166.8 | -170.4 | 61.3 | -177.8 | 0 | 0 | 0 | 109.9 | Q916 Y917 M929 D942 | Q916-I925 CarbonylContact C-O 3.54Å; Q916-I925 VanDerWaalsContact C-O 3.32Å; Q916-I925 WeakPolarHBondContact CA-O 3.22Å; Q916-I925 WeakPolarHBondContact CB-O 3.22Å; Y917-I925 HydrophobicContact CD1-CD1 4.22Å; Y917-I925 HydrophobicContact CD1-CG1 4.3Å; Y917-I925 PolarHBondContact N-O 3.4Å; Y917-I925 WeakPolarHBondContact O-CG1 3.48Å; Y917-I925 PolarHBondContact O-N 2.94Å; Y917-I925 VanDerWaalsContact O-O 3.06Å; I925-M929 HydrophobicContact CB-CB 3.91Å; I925-M929 HydrophobicContact CB-CE 3.93Å; I925-M929 HydrophobicContact CB-SD 4.2Å; I925-M929 HydrophobicContact CD1-CB 4.16Å; I925-M929 WeakPolarHBondContact CD1-O 3.05Å; I925-M929 HydrophobicContact CG1-CB 4.11Å; I925-M929 WeakPolarHBondContact CG1-O 3.08Å; I925-M929 HydrophobicContact CG2-CE 3.94Å; I925-D942 HydrophobicContact CD1-CB 3.53Å |
| 926 | E | 56.4 | Low | 57.8 | Low | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 157.9 | -176.8 | -95 | -172.3 | -163.4 | 0 | 0 | 115.3 | Q916 Q928 M929 | Q916-E926 HydrophobicContact CB-CG 4.48Å; Q916-E926 HydrophobicContact CG-CB 4.23Å; Q916-E926 HydrophobicContact CG-CG 3.27Å; Q916-E926 PolarHBondContact NE2-OE1 3.16Å; E926-Q928 HydrophobicContact CB-CB 4.14Å; E926-Q928 HydrophobicContact CB-CG 4.22Å; E926-Q928 PolarHBondContact O-N 3.23Å; E926-Q928 PolarHBondContact OE2-NE2 2.91Å; E926-M929 HydrophobicContact CB-CG 4.34Å; E926-M929 CarbonylContact O-C 3.59Å; E926-M929 VanDerWaalsContact O-C 3.24Å; E926-M929 VanDerWaalsContact O-CA 3.29Å; E926-M929 WeakPolarHBondContact O-CA 3.45Å; E926-M929 WeakPolarHBondContact O-CB 3.48Å; E926-M929 PolarHBondContact O-N 2.98Å |
| 927 | Q | 59.8 | Low | 58.2 | Low | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -58.8 | -37 | 173.3 | 173.3 | 111.9 | -8.6 | 0 | 0 | 107.5 | G915 Q916 M929 R930 R949 | G915-Q927 WeakPolarHBondContact O-CB 3.37Å; G915-Q927 PolarHBondContact O-N 3Å; Q916-Q927 VanDerWaalsContact CA-N 3.34Å; Q927-M929 VanDerWaalsContact C-N 3.33Å; Q927-M929 PolarHBondContact O-N 2.94Å; Q927-R930 PolarHBondContact O-N 2.7Å; Q927-R949 VanDerWaalsContact CA-NH1 3.35Å; Q927-R949 VanDerWaalsContact CD-CZ 3.44Å; Q927-R949 WeakPolarHBondContact O-CD 3.03Å; Q927-R949 PolarHBondContact O-NH1 3.48Å |
| 928 | Q | 54.8 | Low | 58.3 | Low | 58 Ų | 58 | 62.8 Ų | 62.8 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -50.6 | -47.9 | 166.6 | -43.3 | -165.2 | 81 | 0 | 0 | 111.8 | E926 R930 C962 | E926-Q928 HydrophobicContact CB-CB 4.14Å; E926-Q928 HydrophobicContact CB-CG 4.22Å; E926-Q928 PolarHBondContact O-N 3.23Å; E926-Q928 PolarHBondContact OE2-NE2 2.91Å; Q928-R930 PolarHBondContact O-N 2.71Å; Q928-C962 HydrophobicContact CB-CB 4.37Å |
| 929 | M | 59 | Low | 57.9 | Low | 50 Ų | 50 | 62.9 Ų | 62.9 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -78.7 | 51.1 | 175 | -56.6 | 174.5 | 58.1 | 0 | 0 | 112.6 | I925 E926 Q927 D932 D936 | I925-M929 HydrophobicContact CB-CB 3.91Å; I925-M929 HydrophobicContact CB-CE 3.93Å; I925-M929 HydrophobicContact CB-SD 4.2Å; I925-M929 HydrophobicContact CD1-CB 4.16Å; I925-M929 WeakPolarHBondContact CD1-O 3.05Å; I925-M929 HydrophobicContact CG1-CB 4.11Å; I925-M929 WeakPolarHBondContact CG1-O 3.08Å; I925-M929 HydrophobicContact CG2-CE 3.94Å; E926-M929 HydrophobicContact CB-CG 4.34Å; E926-M929 CarbonylContact O-C 3.59Å; E926-M929 VanDerWaalsContact O-C 3.24Å; E926-M929 VanDerWaalsContact O-CA 3.29Å; E926-M929 WeakPolarHBondContact O-CA 3.45Å; E926-M929 WeakPolarHBondContact O-CB 3.48Å; E926-M929 PolarHBondContact O-N 2.98Å; Q927-M929 VanDerWaalsContact C-N 3.33Å; Q927-M929 PolarHBondContact O-N 2.94Å; M929-D932 WeakPolarHBondContact CA-OD1 3.2Å; M929-D932 WeakPolarHBondContact CG-OD2 3.06Å; M929-D936 HydrophobicContact CE-CB 3.89Å; M929-D936 WeakPolarHBondContact CE-OD2 3.39Å |
| 930 | R | 54.4 | Low | 57.5 | Low | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.177 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -142.1 | 96.9 | 166 | -168.1 | -158.2 | 176.1 | -126.6 | -12.3 | 106 | Y917 Q927 Q928 D942 T944 G945 C946 R949 | Y917-R930 HydrophobicContact CD1-CB 4.02Å; Y917-R930 HydrophobicContact CD1-CG 3.72Å; Y917-R930 HydrophobicContact CD2-CG 4.21Å; Y917-R930 HydrophobicContact CE1-CG 4.01Å; Y917-R930 HydrophobicContact CE2-CG 4.46Å; Y917-R930 HydrophobicContact CG-CB 4.03Å; Y917-R930 HydrophobicContact CG-CG 3.84Å; Q927-R930 PolarHBondContact O-N 2.7Å; Q928-R930 PolarHBondContact O-N 2.71Å; R930-D942 CarbonylContact C-O 3.54Å; R930-D942 WeakPolarHBondContact CA-O 3.1Å; R930-D942 VanDerWaalsContact CG-O 3.27Å; R930-D942 WeakPolarHBondContact CG-O 3.39Å; R930-T944 PolarHBondContact NH2-O 2.88Å; R930-G945 PolarHBondContact NH1-O 2.84Å; R930-G945 VanDerWaalsContact NH2-C 3.32Å; R930-G945 PolarHBondContact NH2-O 3.21Å; R930-C946 VanDerWaalsContact C-SG 3.51Å; R930-C946 HydrophobicContact CG-CB 3.83Å; R930-C946 WeakPolarHBondContact O-CB 3.2Å; R930-R949 VanDerWaalsContact CB-NH1 3.31Å |
| 931 | C | 58.9 | Low | 57.4 | Low | 35 Ų | 35 | 61.2 Ų | 61.2 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 67.6 | 54.9 | -154.7 | -68 | 0 | 0 | 0 | 0 | 113.1 | D942 E943 C946 Q956 | C931-D942 PolarHBondContact N-O 2.99Å; C931-D942 VanDerWaalsContact N-O 3.14Å; C931-E943 WeakPolarHBondContact CA-OE1 3.21Å; C931-E943 PolarHBondContact N-OE1 2.76Å; C931-C946 VanDerWaalsContact CA-SG 3.57Å; C931-C946 HydrophobicContact CB-CB 3.56Å; C931-C946 WeakPolarHBondContact CB-SG 2.96Å; C931-C946 PolarHBondContact N-SG 2.75Å; C931-C946 WeakPolarHBondContact SG-CB 3.25Å; C931-C946 PolarHBondContact SG-O 3.38Å; C931-C946 CovalentContact SG-SG 2.03Å; C931-C946 PolarHBondContact SG-SG 2.85Å; C931-Q956 PolarHBondContact O-NE2 3Å |
| 932 | D | 52 | Low | 57.5 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -96.5 | 9.3 | 156.4 | 67.3 | -37.3 | 0 | 0 | 0 | 112.7 | M929 R934 E943 G960 | M929-D932 WeakPolarHBondContact CA-OD1 3.2Å; M929-D932 WeakPolarHBondContact CG-OD2 3.06Å; D932-R934 IonicContact OD2-CZ 3.72Å; D932-R934 IonicContact OD2-NE 3.23Å; D932-R934 PolarHBondContact OD2-NE 3.07Å; D932-R934 IonicContact OD2-NH2 2.73Å; D932-R934 PolarHBondContact OD2-NH2 3.31Å; D932-E943 PolarHBondContact N-OE1 3.16Å; D932-G960 WeakPolarHBondContact O-CA 3.41Å |
| 933 | G | 60 | Low | 57.8 | Low | 61 Ų | 61 | 60 Ų | 60 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 84.1 | 13.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E943 | G933-E943 WeakPolarHBondContact CA-OE1 3.31Å; G933-E943 WeakPolarHBondContact CA-OE2 3.4Å; G933-E943 PolarHBondContact N-OE1 2.9Å |
| 934 | R | 49.2 | Very low | 57.8 | Low | 84 Ų | 84 | 59.7 Ų | 59.7 | 32% | 0.317 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -129.8 | 138.2 | -173.5 | -67.7 | -166.7 | -67.9 | -114.1 | -0.7 | 111.7 | D932 D936 E943 E961 | D932-R934 IonicContact OD2-CZ 3.72Å; D932-R934 IonicContact OD2-NE 3.23Å; D932-R934 PolarHBondContact OD2-NE 3.07Å; D932-R934 IonicContact OD2-NH2 2.73Å; D932-R934 PolarHBondContact OD2-NH2 3.31Å; R934-D936 IonicContact CZ-OD2 3.16Å; R934-D936 IonicContact NE-OD2 3.78Å; R934-D936 PolarHBondContact NE-OD2 2.78Å; R934-D936 IonicContact NH2-OD2 2.82Å; R934-D936 PolarHBondContact O-N 2.91Å; R934-E943 VanDerWaalsContact N-CD 3.34Å; R934-E943 PolarHBondContact N-OE1 3.45Å; R934-E943 WeakPolarHBondContact O-CG 3.44Å; R934-E961 IonicContact CZ-OE1 3.25Å; R934-E961 IonicContact NH1-OE1 2.64Å; R934-E961 PolarHBondContact NH1-OE1 3.1Å; R934-E961 IonicContact NH2-OE1 3.08Å; R934-E961 PolarHBondContact NH2-OE1 3.44Å |
| 935 | Q | 58.2 | Low | 57.3 | Low | 129 Ų | 129 | 60.7 Ų | 60.7 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | trans | -80.4 | 55.1 | 172.5 | -158.3 | -154 | -32.1 | 0 | 0 | 110.9 | C937 A940 | Q935-C937 PolarHBondContact NE2-O 3.4Å; Q935-C937 PolarHBondContact O-N 3.07Å; Q935-A940 HydrophobicContact CG-CB 3.66Å | ||
| 936 | D | 51.2 | Low | 57 | Low | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -71.1 | -16.7 | -179 | -71.3 | -23.3 | 0 | 0 | 0 | 111 | M929 R934 D942 | M929-D936 HydrophobicContact CE-CB 3.89Å; M929-D936 WeakPolarHBondContact CE-OD2 3.39Å; R934-D936 IonicContact CZ-OD2 3.16Å; R934-D936 IonicContact NE-OD2 3.78Å; R934-D936 PolarHBondContact NE-OD2 2.78Å; R934-D936 IonicContact NH2-OD2 2.82Å; R934-D936 PolarHBondContact O-N 2.91Å; D936-D942 WeakPolarHBondContact CA-OD2 3.03Å; D936-D942 PolarHBondContact N-OD2 2.8Å | ||
| 937 | C | 66.9 | Low | 56.6 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77.2 | 124.3 | 161.7 | -144 | 0 | 0 | 0 | 0 | 112.5 | C919 S921 Q935 D939 A940 D942 | C919-C937 HydrophobicContact CB-CB 4.33Å; C919-C937 WeakPolarHBondContact CB-SG 3.11Å; C919-C937 WeakPolarHBondContact SG-CA 3.23Å; C919-C937 WeakPolarHBondContact SG-CB 3.47Å; C919-C937 CovalentContact SG-SG 2.03Å; C919-C937 PolarHBondContact SG-SG 2.84Å; S921-C937 PolarHBondContact OG-SG 3.12Å; S921-C937 VanDerWaalsContact OG-SG 3.36Å; Q935-C937 PolarHBondContact NE2-O 3.4Å; Q935-C937 PolarHBondContact O-N 3.07Å; C937-D939 PolarHBondContact O-N 3.05Å; C937-A940 PolarHBondContact O-N 3.29Å; C937-D942 HydrophobicContact CB-CB 4.04Å; C937-D942 WeakPolarHBondContact CB-OD1 3.09Å; C937-D942 WeakPolarHBondContact CB-OD2 3.22Å; C937-D942 PolarHBondContact N-OD2 2.79Å |
| 938 | R | 62.7 | Low | 55.8 | Low | 204 Ų | 204 | 63.9 Ų | 63.9 | 77% | 0.77 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -14.6 | 170.1 | -89.7 | 178.3 | 167.2 | 151.1 | -3.4 | 115.2 | S921 E923 | S921-R938 PolarHBondContact OG-N 2.02Å; E923-R938 IonicContact OE1-NH1 3.28Å |
| 939 | D | 58.8 | Low | 55.3 | Low | 102 Ų | 102 | 63.6 Ų | 63.6 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 26 | 178.4 | -162.2 | 38.2 | 0 | 0 | 0 | 112.1 | C937 S941 | C937-D939 PolarHBondContact O-N 3.05Å; D939-S941 PolarHBondContact O-N 2.8Å; D939-S941 PolarHBondContact O-OG 2.78Å |
| 940 | A | 55.7 | Low | 54.7 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 53.6 | 10.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q935 C937 D942 E943 | Q935-A940 HydrophobicContact CG-CB 3.66Å; C937-A940 PolarHBondContact O-N 3.29Å; A940-D942 VanDerWaalsContact C-OD1 3.29Å; A940-D942 PolarHBondContact O-N 2.91Å; A940-E943 PolarHBondContact O-N 2.87Å |
| 941 | S | 61 | Low | 54.2 | Low | 13 Ų | 13 | 68.6 Ų | 68.6 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -80 | -19.3 | -165.4 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | S920 D939 E943 T944 | S920-S941 VanDerWaalsContact CB-OG 3.25Å; S920-S941 WeakPolarHBondContact CB-OG 3.45Å; S920-S941 WeakPolarHBondContact OG-CB 3.42Å; S920-S941 PolarHBondContact OG-OG 2.72Å; D939-S941 PolarHBondContact O-N 2.8Å; D939-S941 PolarHBondContact O-OG 2.78Å; S941-E943 VanDerWaalsContact C-N 3.32Å; S941-T944 PolarHBondContact O-N 2.74Å; S941-T944 PolarHBondContact O-OG1 2.86Å |
| 942 | D | 59.9 | Low | 53.9 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -62 | -35.9 | 171.3 | 52.6 | -14.8 | 0 | 0 | 0 | 113.4 | Y917 I925 R930 C931 D936 C937 A940 T944 C946 | Y917-D942 HydrophobicContact CD1-CB 4.44Å; Y917-D942 HydrophobicContact CE1-CB 4.24Å; I925-D942 HydrophobicContact CD1-CB 3.53Å; R930-D942 CarbonylContact C-O 3.54Å; R930-D942 WeakPolarHBondContact CA-O 3.1Å; R930-D942 VanDerWaalsContact CG-O 3.27Å; R930-D942 WeakPolarHBondContact CG-O 3.39Å; C931-D942 PolarHBondContact N-O 2.99Å; C931-D942 VanDerWaalsContact N-O 3.14Å; D936-D942 WeakPolarHBondContact CA-OD2 3.03Å; D936-D942 PolarHBondContact N-OD2 2.8Å; C937-D942 HydrophobicContact CB-CB 4.04Å; C937-D942 WeakPolarHBondContact CB-OD1 3.09Å; C937-D942 WeakPolarHBondContact CB-OD2 3.22Å; C937-D942 PolarHBondContact N-OD2 2.79Å; A940-D942 VanDerWaalsContact C-OD1 3.29Å; A940-D942 PolarHBondContact O-N 2.91Å; D942-T944 VanDerWaalsContact C-N 3.27Å; D942-T944 PolarHBondContact O-N 2.94Å; D942-C946 PolarHBondContact O-SG 2.82Å |
| 943 | E | 63.3 | Low | 53.6 | Low | 69 Ų | 69 | 74.7 Ų | 74.7 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -84.2 | 5.4 | 174.6 | -68.7 | -70.3 | 108.8 | 0 | 0 | 113.2 | C931 D932 G933 R934 A940 S941 | C931-E943 WeakPolarHBondContact CA-OE1 3.21Å; C931-E943 PolarHBondContact N-OE1 2.76Å; D932-E943 PolarHBondContact N-OE1 3.16Å; G933-E943 WeakPolarHBondContact CA-OE1 3.31Å; G933-E943 WeakPolarHBondContact CA-OE2 3.4Å; G933-E943 PolarHBondContact N-OE1 2.9Å; R934-E943 VanDerWaalsContact N-CD 3.34Å; R934-E943 PolarHBondContact N-OE1 3.45Å; R934-E943 WeakPolarHBondContact O-CG 3.44Å; A940-E943 PolarHBondContact O-N 2.87Å; S941-E943 VanDerWaalsContact C-N 3.32Å |
| 944 | T | 55.3 | Low | 53.4 | Low | 79 Ų | 79 | 74 Ų | 74 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -101.4 | 117.6 | -180 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | R930 S941 D942 | R930-T944 PolarHBondContact NH2-O 2.88Å; S941-T944 PolarHBondContact O-N 2.74Å; S941-T944 PolarHBondContact O-OG1 2.86Å; D942-T944 VanDerWaalsContact C-N 3.27Å; D942-T944 PolarHBondContact O-N 2.94Å |
| 945 | G | 49.5 | Very low | 53.9 | Low | 69 Ų | 69 | 72.7 Ų | 72.7 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 68.4 | 40.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R930 | R930-G945 PolarHBondContact NH1-O 2.84Å; R930-G945 VanDerWaalsContact NH2-C 3.32Å; R930-G945 PolarHBondContact NH2-O 3.21Å |
| 946 | C | 50.4 | Low | 54.3 | Low | 21 Ų | 21 | 68.3 Ų | 68.3 | 14% | 0.142 | 38% | 0.383 | C | S | . | . | trans | -112.2 | 122.7 | -178.3 | 24.3 | 0 | 0 | 0 | 0 | 112.7 | R930 C931 D942 | R930-C946 VanDerWaalsContact C-SG 3.51Å; R930-C946 HydrophobicContact CG-CB 3.83Å; R930-C946 WeakPolarHBondContact O-CB 3.2Å; C931-C946 VanDerWaalsContact CA-SG 3.57Å; C931-C946 HydrophobicContact CB-CB 3.56Å; C931-C946 WeakPolarHBondContact CB-SG 2.96Å; C931-C946 PolarHBondContact N-SG 2.75Å; C931-C946 WeakPolarHBondContact SG-CB 3.25Å; C931-C946 PolarHBondContact SG-O 3.38Å; C931-C946 CovalentContact SG-SG 2.03Å; C931-C946 PolarHBondContact SG-SG 2.85Å; D942-C946 PolarHBondContact O-SG 2.82Å | ||
| 947 | P | 46.6 | Very low | 54.6 | Low | 88 Ų | 88 | 65.5 Ų | 65.5 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | trans | -70.1 | 163.3 | 165.5 | -18.8 | 33.1 | 0 | 0 | 0 | 111.8 | R949 | P947-R949 PolarHBondContact O-N 2.99Š| ||
| 948 | P | 44.7 | Very low | 54.5 | Low | 119 Ų | 119 | 69.4 Ų | 69.4 | 77% | 0.773 | 40% | 0.396 | S | S | * | . | trans | -55.8 | 133.8 | -179.9 | -24.4 | 34.1 | 0 | 0 | 0 | 112.8 | ||||
| 949 | R | 43.8 | Very low | 54.1 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | trans | -118.1 | 75.2 | -170.3 | -84.2 | -174.7 | 163.4 | -167.9 | -5.9 | 114 | Q927 R930 P947 C962 | Q927-R949 VanDerWaalsContact CA-NH1 3.35Å; Q927-R949 VanDerWaalsContact CD-CZ 3.44Å; Q927-R949 WeakPolarHBondContact O-CD 3.03Å; Q927-R949 PolarHBondContact O-NH1 3.48Å; R930-R949 VanDerWaalsContact CB-NH1 3.31Å; P947-R949 PolarHBondContact O-N 2.99Å; R949-C962 PolarHBondContact O-SG 3.11Å | ||
| 950 | C | 46.9 | Very low | 54 | Low | 51 Ų | 51 | 57 Ų | 57 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 147.3 | 155.4 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | Q954 Y955 Q956 | C950-Q954 HydrophobicContact CB-CB 4.06Å; C950-Q954 WeakPolarHBondContact CB-O 3.39Å; C950-Y955 WeakPolarHBondContact SG-CA 3.28Å; C950-Q956 PolarHBondContact SG-N 2.89Å; C950-Q956 VanDerWaalsContact SG-N 3.45Å |
| 951 | R | 43.5 | Very low | 53.9 | Low | 150 Ų | 150 | 59.1 Ų | 59.1 | 57% | 0.566 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 156.7 | 154.9 | -75 | -172.4 | 170.5 | 94.2 | -5 | 109.6 | G953 Q954 | R951-G953 PolarHBondContact O-N 2.84Å; R951-G953 VanDerWaalsContact O-N 3.13Å; R951-Q954 HydrophobicContact CB-CG 4.32Å; R951-Q954 WeakPolarHBondContact O-CB 3.49Å; R951-Q954 PolarHBondContact O-N 3.33Å |
| 952 | P | 53.2 | Low | 53.8 | Low | 138 Ų | 138 | 59.5 Ų | 59.5 | 90% | 0.896 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 120.9 | 166.9 | -24.1 | 34.6 | 0 | 0 | 0 | 109.5 | ||
| 953 | G | 44.8 | Very low | 53.7 | Low | 33 Ų | 33 | 60.5 Ų | 60.5 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 8.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R951 Q965 | R951-G953 PolarHBondContact O-N 2.84Å; R951-G953 VanDerWaalsContact O-N 3.13Å; G953-Q965 WeakPolarHBondContact O-CB 3.29Å; G953-Q965 PolarHBondContact O-N 3.26Å |
| 954 | Q | 56.1 | Low | 53.2 | Low | 46 Ų | 46 | 61.1 Ų | 61.1 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 165.5 | 172.6 | -54.2 | -168.3 | -55.9 | 0 | 0 | 111.7 | C950 R951 I963 E964 Q965 | C950-Q954 HydrophobicContact CB-CB 4.06Å; C950-Q954 WeakPolarHBondContact CB-O 3.39Å; R951-Q954 HydrophobicContact CB-CG 4.32Å; R951-Q954 WeakPolarHBondContact O-CB 3.49Å; R951-Q954 PolarHBondContact O-N 3.33Å; Q954-I963 CarbonylContact C-O 3.54Å; Q954-I963 WeakPolarHBondContact CA-O 3.43Å; Q954-I963 WeakPolarHBondContact CB-O 3.41Å; Q954-E964 HydrophobicContact CG-CG 4.02Å; Q954-Q965 PolarHBondContact O-NE2 2.03Å |
| 955 | Y | 59.8 | Low | 53.7 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 22% | 0.22 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.2 | -179.1 | 168.4 | -97 | 0 | 0 | 0 | 111.1 | C950 C962 I963 R968 | C950-Y955 WeakPolarHBondContact SG-CA 3.28Å; Y955-C962 CarbonylContact O-C 3.54Å; Y955-C962 WeakPolarHBondContact O-CA 3.26Å; Y955-I963 HydrophobicContact CD1-CD1 3.82Å; Y955-I963 HydrophobicContact CD1-CG1 3.9Å; Y955-I963 HydrophobicContact CE1-CD1 4.34Å; Y955-I963 PolarHBondContact N-O 2.86Å; Y955-I963 PolarHBondContact O-N 2.04Å; Y955-R968 HydrophobicContact CD1-CB 4.06Å; Y955-R968 VanDerWaalsContact CD1-CD 3.41Å; Y955-R968 HydrophobicContact CD1-CG 3.39Å; Y955-R968 HydrophobicContact CE1-CG 3.8Å; Y955-R968 VanDerWaalsContact CE2-CZ 3.47Å; Y955-R968 VanDerWaalsContact CE2-NE 3.31Å; Y955-R968 HydrophobicContact CG-CB 4.42Å; Y955-R968 VanDerWaalsContact CG-CD 3.45Å; Y955-R968 HydrophobicContact CG-CG 3.92Å; Y955-R968 VanDerWaalsContact CG-NE 3.34Å; Y955-R968 VanDerWaalsContact CZ-CZ 3.48Å; Y955-R968 PolarHBondContact OH-NH2 3.48Å |
| 956 | Q | 65.4 | Low | 53.8 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.2 | -177.3 | -173.8 | 171.2 | 17.7 | 0 | 0 | 112.6 | C931 C950 G960 E961 C962 | C931-Q956 PolarHBondContact O-NE2 3Å; C950-Q956 PolarHBondContact SG-N 2.89Å; C950-Q956 VanDerWaalsContact SG-N 3.45Å; Q956-G960 WeakPolarHBondContact CG-O 3.45Å; Q956-G960 PolarHBondContact NE2-O 3.08Å; Q956-E961 CarbonylContact C-O 3.47Å; Q956-E961 WeakPolarHBondContact CA-O 3.29Å; Q956-C962 VanDerWaalsContact CD-SG 3.59Å; Q956-C962 WeakPolarHBondContact CG-SG 3.39Å |
| 957 | C | 59.2 | Low | 54.2 | Low | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.054 | 37% | 0.372 | C | S | . | . | trans | -57.3 | 147.7 | 176.3 | -77.8 | 0 | 0 | 0 | 0 | 114.1 | S959 G960 E961 C975 | C957-S959 PolarHBondContact O-N 3.3Å; C957-S959 VanDerWaalsContact O-N 3.1Å; C957-G960 PolarHBondContact O-N 2.81Å; C957-E961 HydrophobicContact CB-CB 4.32Å; C957-E961 VanDerWaalsContact CB-O 3.3Å; C957-E961 WeakPolarHBondContact CB-O 3.48Å; C957-E961 PolarHBondContact N-O 2.67Å; C957-C975 HydrophobicContact CB-CB 4.41Å; C957-C975 WeakPolarHBondContact CB-SG 3.34Å; C957-C975 WeakPolarHBondContact SG-CB 3.42Å; C957-C975 CovalentContact SG-SG 2.04Å; C957-C975 PolarHBondContact SG-SG 2.78Å | ||
| 958 | S | 64.8 | Low | 54.3 | Low | 84 Ų | 84 | 66.8 Ų | 66.8 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.1 | 162.3 | 42 | 0 | 0 | 0 | 0 | 115.3 | S979 T982 | S958-S979 WeakPolarHBondContact OG-CB 3.33Å; S958-S979 PolarHBondContact OG-OG 3.25Å; S958-T982 PolarHBondContact OG-OG1 3.46Å; S958-T982 VanDerWaalsContact OG-OG1 3.13Å |
| 959 | S | 54.4 | Low | 55.1 | Low | 39 Ų | 39 | 61.4 Ų | 61.4 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 19.6 | 170.7 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | C957 S979 | C957-S959 PolarHBondContact O-N 3.3Å; C957-S959 VanDerWaalsContact O-N 3.1Å; S959-S979 WeakPolarHBondContact CB-OG 3.46Å; S959-S979 PolarHBondContact N-OG 3.07Å; S959-S979 WeakPolarHBondContact OG-CB 3.28Å; S959-S979 PolarHBondContact OG-OG 3.07Å |
| 960 | G | 55.5 | Low | 55.4 | Low | 6 Ų | 6 | 59.9 Ų | 59.9 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 108 | -41.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | D932 Q956 C957 | D932-G960 WeakPolarHBondContact O-CA 3.41Å; Q956-G960 WeakPolarHBondContact CG-O 3.45Å; Q956-G960 PolarHBondContact NE2-O 3.08Å; C957-G960 PolarHBondContact O-N 2.81Å |
| 961 | E | 53.7 | Low | 56 | Low | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | trans | -61.5 | 140 | -172.3 | -54.5 | -64.5 | 142.7 | 0 | 0 | 113.7 | R934 Q956 C957 | R934-E961 IonicContact CZ-OE1 3.25Å; R934-E961 IonicContact NH1-OE1 2.64Å; R934-E961 PolarHBondContact NH1-OE1 3.1Å; R934-E961 IonicContact NH2-OE1 3.08Å; R934-E961 PolarHBondContact NH2-OE1 3.44Å; Q956-E961 CarbonylContact C-O 3.47Å; Q956-E961 WeakPolarHBondContact CA-O 3.29Å; C957-E961 HydrophobicContact CB-CB 4.32Å; C957-E961 VanDerWaalsContact CB-O 3.3Å; C957-E961 WeakPolarHBondContact CB-O 3.48Å; C957-E961 PolarHBondContact N-O 2.67Å | ||
| 962 | C | 59.7 | Low | 56.4 | Low | 22 Ų | 22 | 58.6 Ų | 58.6 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.6 | 171.5 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | Q928 R949 Y955 Q956 | Q928-C962 HydrophobicContact CB-CB 4.37Å; R949-C962 PolarHBondContact O-SG 3.11Å; Y955-C962 CarbonylContact O-C 3.54Å; Y955-C962 WeakPolarHBondContact O-CA 3.26Å; Q956-C962 VanDerWaalsContact CD-SG 3.59Å; Q956-C962 WeakPolarHBondContact CG-SG 3.39Å |
| 963 | I | 56.8 | Low | 56.7 | Low | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.6 | -175.8 | 60.9 | -161.8 | 0 | 0 | 0 | 109.3 | Q954 Y955 M967 R968 D980 | Q954-I963 CarbonylContact C-O 3.54Å; Q954-I963 WeakPolarHBondContact CA-O 3.43Å; Q954-I963 WeakPolarHBondContact CB-O 3.41Å; Y955-I963 HydrophobicContact CD1-CD1 3.82Å; Y955-I963 HydrophobicContact CD1-CG1 3.9Å; Y955-I963 HydrophobicContact CE1-CD1 4.34Å; Y955-I963 PolarHBondContact N-O 2.86Å; Y955-I963 PolarHBondContact O-N 2.04Å; I963-M967 HydrophobicContact CB-CB 4.18Å; I963-M967 WeakPolarHBondContact CD1-O 3.44Å; I963-R968 HydrophobicContact CD1-CB 4.12Å; I963-R968 HydrophobicContact CD1-CG 4.24Å; I963-R968 HydrophobicContact CG1-CB 4.33Å; I963-D980 HydrophobicContact CD1-CB 3.43Å; I963-D980 VanDerWaalsContact CD1-CB 3.43Å |
| 964 | E | 53.2 | Low | 57 | Low | 82 Ų | 82 | 60.5 Ų | 60.5 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 154.5 | 172.9 | -118.5 | 172.5 | -132.9 | 0 | 0 | 110.5 | Q954 Q966 M967 R968 | Q954-E964 HydrophobicContact CG-CG 4.02Å; E964-Q966 HydrophobicContact CB-CB 4.23Å; E964-Q966 CarbonylContact O-C 3.54Å; E964-Q966 PolarHBondContact O-N 3.19Å; E964-Q966 VanDerWaalsContact O-N 3.11Å; E964-Q966 PolarHBondContact OE2-NE2 2.94Å; E964-M967 HydrophobicContact CB-CG 4.16Å; E964-M967 CarbonylContact O-C 3.14Å; E964-M967 WeakPolarHBondContact O-CA 3.45Å; E964-M967 PolarHBondContact O-N 3.27Å; E964-R968 PolarHBondContact O-N 3.43Å |
| 965 | Q | 64.8 | Low | 57.3 | Low | 122 Ų | 122 | 58.4 Ų | 58.4 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.2 | 172.6 | -83.3 | 176.5 | 10.6 | 0 | 0 | 111.5 | G953 Q954 | G953-Q965 WeakPolarHBondContact O-CB 3.29Å; G953-Q965 PolarHBondContact O-N 3.26Å; Q954-Q965 PolarHBondContact O-NE2 2.03Å |
| 966 | Q | 52.7 | Low | 57.3 | Low | 121 Ų | 121 | 67.1 Ų | 67.1 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -49.5 | 162.4 | -55.5 | -161.9 | 78.2 | 0 | 0 | 112 | E964 R987 | E964-Q966 HydrophobicContact CB-CB 4.23Å; E964-Q966 CarbonylContact O-C 3.54Å; E964-Q966 PolarHBondContact O-N 3.19Å; E964-Q966 VanDerWaalsContact O-N 3.11Å; E964-Q966 PolarHBondContact OE2-NE2 2.94Å; Q966-R987 WeakPolarHBondContact O-CD 3.19Å; Q966-R987 WeakPolarHBondContact O-CG 3.38Å; Q966-R987 PolarHBondContact O-NE 3.04Å; Q966-R987 PolarHBondContact O-NH2 2.8Å |
| 967 | M | 57.7 | Low | 57 | Low | 79 Ų | 79 | 71 Ų | 71 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 9.2 | -171.1 | -47.1 | -140.4 | -53.4 | 0 | 0 | 114.9 | I963 E964 D970 R987 | I963-M967 HydrophobicContact CB-CB 4.18Å; I963-M967 WeakPolarHBondContact CD1-O 3.44Å; E964-M967 HydrophobicContact CB-CG 4.16Å; E964-M967 CarbonylContact O-C 3.14Å; E964-M967 WeakPolarHBondContact O-CA 3.45Å; E964-M967 PolarHBondContact O-N 3.27Å; M967-D970 VanDerWaalsContact CA-OD1 3.31Å; M967-D970 WeakPolarHBondContact CA-OD1 3.21Å; M967-R987 VanDerWaalsContact CG-NH1 3.3Å |
| 968 | R | 49.7 | Very low | 56.9 | Low | 54 Ų | 54 | 72 Ų | 72 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -76.3 | 137.5 | 155.8 | -160.4 | -168.3 | -162.7 | -142.1 | -8 | 107.6 | Y955 I963 E964 G983 C984 R987 | Y955-R968 HydrophobicContact CD1-CB 4.06Å; Y955-R968 VanDerWaalsContact CD1-CD 3.41Å; Y955-R968 HydrophobicContact CD1-CG 3.39Å; Y955-R968 HydrophobicContact CE1-CG 3.8Å; Y955-R968 VanDerWaalsContact CE2-CZ 3.47Å; Y955-R968 VanDerWaalsContact CE2-NE 3.31Å; Y955-R968 HydrophobicContact CG-CB 4.42Å; Y955-R968 VanDerWaalsContact CG-CD 3.45Å; Y955-R968 HydrophobicContact CG-CG 3.92Å; Y955-R968 VanDerWaalsContact CG-NE 3.34Å; Y955-R968 VanDerWaalsContact CZ-CZ 3.48Å; Y955-R968 PolarHBondContact OH-NH2 3.48Å; I963-R968 HydrophobicContact CD1-CB 4.12Å; I963-R968 HydrophobicContact CD1-CG 4.24Å; I963-R968 HydrophobicContact CG1-CB 4.33Å; E964-R968 PolarHBondContact O-N 3.43Å; R968-G983 PolarHBondContact NH1-O 2.83Å; R968-G983 PolarHBondContact NH2-O 2.8Å; R968-C984 HydrophobicContact CG-CB 4.34Å; R968-C984 VanDerWaalsContact CG-SG 3.57Å; R968-C984 PolarHBondContact NE-SG 2.77Å; R968-C984 PolarHBondContact NH2-SG 2.8Å; R968-R987 WeakPolarHBondContact O-CG 3.47Å |
| 969 | C | 61.9 | Low | 56.8 | Low | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 75.5 | 22.8 | 168.2 | -26.6 | 0 | 0 | 0 | 0 | 118 | G971 D980 C984 P985 R987 | C969-G971 PolarHBondContact O-N 3.31Å; C969-D980 VanDerWaalsContact CA-O 3.27Å; C969-D980 WeakPolarHBondContact CA-O 3.4Å; C969-D980 PolarHBondContact N-O 2.82Å; C969-C984 HydrophobicContact CB-CB 3.85Å; C969-C984 WeakPolarHBondContact SG-CA 3.25Å; C969-C984 WeakPolarHBondContact SG-CB 3.32Å; C969-P985 PolarHBondContact SG-O 3.11Å; C969-R987 HydrophobicContact CB-CB 4.48Å; C969-R987 VanDerWaalsContact CB-N 3.26Å; C969-R987 WeakPolarHBondContact O-CA 3.37Å; C969-R987 WeakPolarHBondContact O-CB 3.33Å; C969-R987 PolarHBondContact O-N 3.38Å |
| 970 | D | 50.8 | Low | 57.1 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | trans | -42.2 | -25.8 | -169.1 | -92.6 | 54.3 | 0 | 0 | 0 | 119.3 | M967 R972 E981 R987 | M967-D970 VanDerWaalsContact CA-OD1 3.31Å; M967-D970 WeakPolarHBondContact CA-OD1 3.21Å; D970-R972 HydrophobicContact CB-CB 3.59Å; D970-R972 HydrophobicContact CB-CG 4.01Å; D970-R972 VanDerWaalsContact CB-N 3.25Å; D970-R972 IonicContact OD2-CZ 3.83Å; D970-R972 IonicContact OD2-NE 2.64Å; D970-R972 IonicContact OD2-NH1 3.87Å; D970-R972 PolarHBondContact OD2-NH1 2.85Å; D970-R972 IonicContact OD2-NH2 2.7Å; D970-R972 PolarHBondContact OD2-NH2 2.63Å; D970-E981 PolarHBondContact N-OE1 2.65Å; D970-R987 IonicContact OD1-CZ 2.71Å; D970-R987 IonicContact OD1-NE 3.06Å; D970-R987 PolarHBondContact OD1-NE 3.38Å; D970-R987 IonicContact OD1-NH1 3.77Å; D970-R987 PolarHBondContact OD1-NH1 2.89Å; D970-R987 IonicContact OD2-CZ 2.61Å; D970-R987 IonicContact OD2-NE 2.63Å; D970-R987 PolarHBondContact OD2-NE 3.32Å; D970-R987 IonicContact OD2-NH1 3.31Å; D970-R987 PolarHBondContact OD2-NH1 2.97Å | ||
| 971 | G | 59.2 | Low | 57.4 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 71.7 | 18.1 | -145.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | C969 E981 | C969-G971 PolarHBondContact O-N 3.31Å; G971-E981 WeakPolarHBondContact CA-OE1 3.34Å; G971-E981 PolarHBondContact N-OE1 2.89Å |
| 972 | R | 51 | Low | 57.5 | Low | 125 Ų | 125 | 68 Ų | 68 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -139 | 131.2 | 174.1 | -60.1 | -160.1 | -52.8 | -95.1 | -8.5 | 109.1 | D970 D974 E981 | D970-R972 HydrophobicContact CB-CB 3.59Å; D970-R972 HydrophobicContact CB-CG 4.01Å; D970-R972 VanDerWaalsContact CB-N 3.25Å; D970-R972 IonicContact OD2-CZ 3.83Å; D970-R972 IonicContact OD2-NE 2.64Å; D970-R972 IonicContact OD2-NH1 3.87Å; D970-R972 PolarHBondContact OD2-NH1 2.85Å; D970-R972 IonicContact OD2-NH2 2.7Å; D970-R972 PolarHBondContact OD2-NH2 2.63Å; R972-D974 VanDerWaalsContact CB-OD1 3.31Å; R972-D974 WeakPolarHBondContact CB-OD1 3.31Å; R972-D974 IonicContact CZ-OD1 3.86Å; R972-D974 IonicContact CZ-OD2 2.95Å; R972-D974 VanDerWaalsContact CZ-OD2 3.3Å; R972-D974 IonicContact NE-OD1 3.22Å; R972-D974 PolarHBondContact NE-OD1 3.5Å; R972-D974 IonicContact NE-OD2 2.66Å; R972-D974 PolarHBondContact NE-OD2 2.91Å; R972-D974 VanDerWaalsContact NE-OD2 3.16Å; R972-D974 IonicContact NH2-OD1 2.59Å; R972-D974 IonicContact NH2-OD2 2.64Å; R972-D974 PolarHBondContact NH2-OD2 2.7Å; R972-D974 PolarHBondContact O-N 2.89Å; R972-E981 PolarHBondContact N-OE1 3.24Å; R972-E981 VanDerWaalsContact O-OE1 3.11Å |
| 973 | Q | 58.8 | Low | 56.9 | Low | 128 Ų | 128 | 70 Ų | 70 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | trans | -76.9 | 67.2 | 170.5 | -163.7 | -164.8 | -5.2 | 0 | 0 | 110.1 | C975 A978 | Q973-C975 PolarHBondContact O-N 3.16Å; Q973-A978 HydrophobicContact CG-CB 3.87Å | ||
| 974 | D | 51 | Low | 56.3 | Low | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | trans | -74.3 | -18.3 | 177.5 | -66.9 | -13.7 | 0 | 0 | 0 | 110.9 | R972 D980 | R972-D974 VanDerWaalsContact CB-OD1 3.31Å; R972-D974 WeakPolarHBondContact CB-OD1 3.31Å; R972-D974 IonicContact CZ-OD1 3.86Å; R972-D974 IonicContact CZ-OD2 2.95Å; R972-D974 VanDerWaalsContact CZ-OD2 3.3Å; R972-D974 IonicContact NE-OD1 3.22Å; R972-D974 PolarHBondContact NE-OD1 3.5Å; R972-D974 IonicContact NE-OD2 2.66Å; R972-D974 PolarHBondContact NE-OD2 2.91Å; R972-D974 VanDerWaalsContact NE-OD2 3.16Å; R972-D974 IonicContact NH2-OD1 2.59Å; R972-D974 IonicContact NH2-OD2 2.64Å; R972-D974 PolarHBondContact NH2-OD2 2.7Å; R972-D974 PolarHBondContact O-N 2.89Å; D974-D980 VanDerWaalsContact CA-OD2 3.26Å; D974-D980 WeakPolarHBondContact CA-OD2 3.37Å; D974-D980 VanDerWaalsContact CB-OD2 3.31Å; D974-D980 WeakPolarHBondContact CB-OD2 3.43Å; D974-D980 PolarHBondContact N-OD2 3.18Å | ||
| 975 | C | 63.6 | Low | 55.9 | Low | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -100.4 | 137.1 | 176.5 | -148 | 0 | 0 | 0 | 0 | 113.3 | C957 Q973 D977 A978 D980 | C957-C975 HydrophobicContact CB-CB 4.41Å; C957-C975 WeakPolarHBondContact CB-SG 3.34Å; C957-C975 WeakPolarHBondContact SG-CB 3.42Å; C957-C975 CovalentContact SG-SG 2.04Å; C957-C975 PolarHBondContact SG-SG 2.78Å; Q973-C975 PolarHBondContact O-N 3.16Å; C975-D977 VanDerWaalsContact C-N 3.34Å; C975-D977 PolarHBondContact O-N 2.03Å; C975-A978 WeakPolarHBondContact O-CA 3.4Å; C975-A978 PolarHBondContact O-N 2.8Å; C975-D980 WeakPolarHBondContact CA-OD1 3.34Å; C975-D980 HydrophobicContact CB-CB 3.59Å; C975-D980 WeakPolarHBondContact CB-OD1 3.25Å; C975-D980 PolarHBondContact N-OD1 2.79Å; C975-D980 PolarHBondContact N-OD2 3.22Å |
| 976 | R | 59.9 | Low | 55.2 | Low | 239 Ų | 239 | 67.4 Ų | 67.4 | 90% | 0.902 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.5 | -155.9 | -147.6 | 173.5 | -168.3 | 162.8 | 2.9 | 115.9 | ||
| 977 | D | 59.5 | Low | 54.6 | Low | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 24.3 | 173.8 | -155.9 | 30.9 | 0 | 0 | 0 | 111.8 | C975 S979 | C975-D977 VanDerWaalsContact C-N 3.34Å; C975-D977 PolarHBondContact O-N 2.03Å; D977-S979 PolarHBondContact O-N 2.97Å |
| 978 | A | 56.1 | Low | 54.1 | Low | 28 Ų | 28 | 62.2 Ų | 62.2 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 61.7 | 14.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q973 C975 D980 E981 T982 | Q973-A978 HydrophobicContact CG-CB 3.87Å; C975-A978 WeakPolarHBondContact O-CA 3.4Å; C975-A978 PolarHBondContact O-N 2.8Å; A978-D980 VanDerWaalsContact C-N 3.29Å; A978-D980 PolarHBondContact O-N 2.87Å; A978-E981 CarbonylContact O-C 3.55Å; A978-E981 WeakPolarHBondContact O-CA 3.44Å; A978-E981 WeakPolarHBondContact O-CB 3.39Å; A978-E981 PolarHBondContact O-N 3.13Å; A978-T982 HydrophobicContact CB-CG2 4.45Å; A978-T982 WeakPolarHBondContact O-CG2 3.48Å; A978-T982 PolarHBondContact O-N 2.8Å |
| 979 | S | 62.9 | Low | 53.9 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26 | -166.9 | -64.5 | 0 | 0 | 0 | 0 | 116.7 | S958 S959 D977 E981 T982 | S958-S979 WeakPolarHBondContact OG-CB 3.33Å; S958-S979 PolarHBondContact OG-OG 3.25Å; S959-S979 WeakPolarHBondContact CB-OG 3.46Å; S959-S979 PolarHBondContact N-OG 3.07Å; S959-S979 WeakPolarHBondContact OG-CB 3.28Å; S959-S979 PolarHBondContact OG-OG 3.07Å; D977-S979 PolarHBondContact O-N 2.97Å; S979-E981 VanDerWaalsContact C-N 3.28Å; S979-T982 WeakPolarHBondContact CA-OG1 3.44Å; S979-T982 PolarHBondContact O-N 2.91Å; S979-T982 PolarHBondContact O-OG1 2.78Å |
| 980 | D | 60.8 | Low | 53.3 | Low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.6 | 172.8 | 59.1 | -25.9 | 0 | 0 | 0 | 113.5 | I963 C969 D974 C975 A978 C984 | I963-D980 HydrophobicContact CD1-CB 3.43Å; I963-D980 VanDerWaalsContact CD1-CB 3.43Å; C969-D980 VanDerWaalsContact CA-O 3.27Å; C969-D980 WeakPolarHBondContact CA-O 3.4Å; C969-D980 PolarHBondContact N-O 2.82Å; D974-D980 VanDerWaalsContact CA-OD2 3.26Å; D974-D980 WeakPolarHBondContact CA-OD2 3.37Å; D974-D980 VanDerWaalsContact CB-OD2 3.31Å; D974-D980 WeakPolarHBondContact CB-OD2 3.43Å; D974-D980 PolarHBondContact N-OD2 3.18Å; C975-D980 WeakPolarHBondContact CA-OD1 3.34Å; C975-D980 HydrophobicContact CB-CB 3.59Å; C975-D980 WeakPolarHBondContact CB-OD1 3.25Å; C975-D980 PolarHBondContact N-OD1 2.79Å; C975-D980 PolarHBondContact N-OD2 3.22Å; A978-D980 VanDerWaalsContact C-N 3.29Å; A978-D980 PolarHBondContact O-N 2.87Å; D980-C984 WeakPolarHBondContact O-CB 3.23Å; D980-C984 PolarHBondContact O-SG 3.49Å |
| 981 | E | 62.4 | Low | 53.1 | Low | 63 Ų | 63 | 74.2 Ų | 74.2 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -11 | 168.4 | -65.7 | -70.3 | 165.8 | 0 | 0 | 111.5 | D970 G971 R972 A978 S979 | D970-E981 PolarHBondContact N-OE1 2.65Å; G971-E981 WeakPolarHBondContact CA-OE1 3.34Å; G971-E981 PolarHBondContact N-OE1 2.89Å; R972-E981 PolarHBondContact N-OE1 3.24Å; R972-E981 VanDerWaalsContact O-OE1 3.11Å; A978-E981 CarbonylContact O-C 3.55Å; A978-E981 WeakPolarHBondContact O-CA 3.44Å; A978-E981 WeakPolarHBondContact O-CB 3.39Å; A978-E981 PolarHBondContact O-N 3.13Å; S979-E981 VanDerWaalsContact C-N 3.28Å |
| 982 | T | 55.6 | Low | 53.1 | Low | 64 Ų | 64 | 73.9 Ų | 73.9 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 124.1 | 174.2 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | S958 A978 S979 C984 | S958-T982 PolarHBondContact OG-OG1 3.46Å; S958-T982 VanDerWaalsContact OG-OG1 3.13Å; A978-T982 HydrophobicContact CB-CG2 4.45Å; A978-T982 WeakPolarHBondContact O-CG2 3.48Å; A978-T982 PolarHBondContact O-N 2.8Å; S979-T982 WeakPolarHBondContact CA-OG1 3.44Å; S979-T982 PolarHBondContact O-N 2.91Å; S979-T982 PolarHBondContact O-OG1 2.78Å; T982-C984 PolarHBondContact O-N 2.62Å; T982-C984 PolarHBondContact O-SG 2.9Å |
| 983 | G | 47.5 | Very low | 53.6 | Low | 63 Ų | 63 | 69.9 Ų | 69.9 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 22.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R968 P985 | R968-G983 PolarHBondContact NH1-O 2.83Å; R968-G983 PolarHBondContact NH2-O 2.8Å; G983-P985 VanDerWaalsContact C-CD 3.47Å; G983-P985 WeakPolarHBondContact O-CD 3.35Å |
| 984 | C | 44 | Very low | 53.9 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | trans | -114.2 | 79 | -164.9 | -72.3 | 0 | 0 | 0 | 0 | 110.9 | R968 C969 D980 T982 | R968-C984 HydrophobicContact CG-CB 4.34Å; R968-C984 VanDerWaalsContact CG-SG 3.57Å; R968-C984 PolarHBondContact NE-SG 2.77Å; R968-C984 PolarHBondContact NH2-SG 2.8Å; C969-C984 HydrophobicContact CB-CB 3.85Å; C969-C984 WeakPolarHBondContact SG-CA 3.25Å; C969-C984 WeakPolarHBondContact SG-CB 3.32Å; D980-C984 WeakPolarHBondContact O-CB 3.23Å; D980-C984 PolarHBondContact O-SG 3.49Å; T982-C984 PolarHBondContact O-N 2.62Å; T982-C984 PolarHBondContact O-SG 2.9Å | ||
| 985 | P | 45.1 | Very low | 54.7 | Low | 98 Ų | 98 | 60.9 Ų | 60.9 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | trans | -68.5 | 138.6 | 172.6 | 31.2 | -35.2 | 0 | 0 | 0 | 109.9 | C969 G983 | C969-P985 PolarHBondContact SG-O 3.11Å; G983-P985 VanDerWaalsContact C-CD 3.47Å; G983-P985 WeakPolarHBondContact O-CD 3.35Å | ||
| 986 | P | 49.1 | Very low | 54.8 | Low | 60 Ų | 60 | 64.5 Ų | 64.5 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | -98.4 | 168.2 | -113.6 | -14.2 | 32.2 | 0 | 0 | 0 | 115.2 | C988 Q994 | P986-C988 PolarHBondContact O-N 3.43Å; P986-Q994 HydrophobicContact CB-CB 3.8Å; P986-Q994 HydrophobicContact CB-CG 3.78Å; P986-Q994 HydrophobicContact CG-CB 4.3Å; P986-Q994 HydrophobicContact CG-CG 4.4Å | |||
| 987 | R | 40.9 | Very low | 54.6 | Low | 69 Ų | 69 | 55.1 Ų | 55.1 | 26% | 0.26 | 33% | 0.329 | S | S | . | . | trans | -68.6 | 88.1 | 175.4 | -100.6 | -133.9 | -132.8 | -144.7 | -168.1 | 109.6 | Q966 M967 R968 C969 D970 Q994 C1000 | Q966-R987 WeakPolarHBondContact O-CD 3.19Å; Q966-R987 WeakPolarHBondContact O-CG 3.38Å; Q966-R987 PolarHBondContact O-NE 3.04Å; Q966-R987 PolarHBondContact O-NH2 2.8Å; M967-R987 VanDerWaalsContact CG-NH1 3.3Å; R968-R987 WeakPolarHBondContact O-CG 3.47Å; C969-R987 HydrophobicContact CB-CB 4.48Å; C969-R987 VanDerWaalsContact CB-N 3.26Å; C969-R987 WeakPolarHBondContact O-CA 3.37Å; C969-R987 WeakPolarHBondContact O-CB 3.33Å; C969-R987 PolarHBondContact O-N 3.38Å; D970-R987 IonicContact OD1-CZ 2.71Å; D970-R987 IonicContact OD1-NE 3.06Å; D970-R987 PolarHBondContact OD1-NE 3.38Å; D970-R987 IonicContact OD1-NH1 3.77Å; D970-R987 PolarHBondContact OD1-NH1 2.89Å; D970-R987 IonicContact OD2-CZ 2.61Å; D970-R987 IonicContact OD2-NE 2.63Å; D970-R987 PolarHBondContact OD2-NE 3.32Å; D970-R987 IonicContact OD2-NH1 3.31Å; D970-R987 PolarHBondContact OD2-NH1 2.97Å; R987-Q994 PolarHBondContact O-OE1 2.85Å; R987-C1000 PolarHBondContact O-SG 2.95Å | ||
| 988 | C | 47.4 | Very low | 54.6 | Low | 21 Ų | 21 | 51.3 Ų | 51.3 | 14% | 0.142 | 32% | 0.317 | C | S | . | . | trans | -122.5 | 145.6 | 135.7 | -93.1 | 0 | 0 | 0 | 0 | 108.2 | P986 Q992 Y993 Q994 C1000 I1001 | P986-C988 PolarHBondContact O-N 3.43Å; C988-Q992 HydrophobicContact CB-CB 3.35Å; C988-Y993 VanDerWaalsContact CB-CA 3.46Å; C988-Y993 PolarHBondContact SG-O 2.89Å; C988-Q994 HydrophobicContact CB-CB 4.36Å; C988-C1000 VanDerWaalsContact SG-CA 3.5Å; C988-C1000 WeakPolarHBondContact SG-CB 3.28Å; C988-I1001 PolarHBondContact SG-N 3.14Å; C988-I1001 VanDerWaalsContact SG-N 3.44Å; C988-I1001 PolarHBondContact SG-O 3.03Å | ||
| 989 | R | 44.8 | Very low | 54.7 | Low | 166 Ų | 166 | 54.3 Ų | 54.3 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | trans | -46.4 | 154.1 | 167.8 | -66.5 | 173.8 | 175.5 | 79.4 | -0.9 | 109.9 | G991 Q992 | R989-G991 PolarHBondContact O-N 2.96Å; R989-Q992 HydrophobicContact CB-CB 4.04Å; R989-Q992 HydrophobicContact CB-CG 4.21Å; R989-Q992 CarbonylContact O-C 3.56Å; R989-Q992 WeakPolarHBondContact O-CA 2.88Å; R989-Q992 WeakPolarHBondContact O-CB 3.42Å; R989-Q992 PolarHBondContact O-N 3.06Å | ||
| 990 | P | 48.4 | Very low | 54.9 | Low | 129 Ų | 129 | 57.3 Ų | 57.3 | 84% | 0.838 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 124.8 | 150.8 | -21.9 | 34.8 | 0 | 0 | 0 | 108.3 | ||
| 991 | G | 46.8 | Very low | 54.9 | Low | 37 Ų | 37 | 58.2 Ų | 58.2 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -3.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R989 Q1003 | R989-G991 PolarHBondContact O-N 2.96Å; G991-Q1003 PolarHBondContact O-N 2.86Å |
| 992 | Q | 58.9 | Low | 54.5 | Low | 44 Ų | 44 | 58.2 Ų | 58.2 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 165.2 | 168.8 | -72.6 | 174.2 | -25.3 | 0 | 0 | 112 | C988 R989 I1001 E1002 Q1003 | C988-Q992 HydrophobicContact CB-CB 3.35Å; R989-Q992 HydrophobicContact CB-CB 4.04Å; R989-Q992 HydrophobicContact CB-CG 4.21Å; R989-Q992 CarbonylContact O-C 3.56Å; R989-Q992 WeakPolarHBondContact O-CA 2.88Å; R989-Q992 WeakPolarHBondContact O-CB 3.42Å; R989-Q992 PolarHBondContact O-N 3.06Å; Q992-I1001 CarbonylContact C-O 3.53Å; Q992-I1001 WeakPolarHBondContact CA-O 3.08Å; Q992-I1001 WeakPolarHBondContact CB-O 3.1Å; Q992-I1001 WeakPolarHBondContact CG-O 3.39Å; Q992-E1002 HydrophobicContact CG-CB 4.36Å; Q992-E1002 HydrophobicContact CG-CG 3.69Å; Q992-Q1003 VanDerWaalsContact CA-N 3.28Å; Q992-Q1003 PolarHBondContact O-NE2 3.07Å |
| 993 | Y | 62.3 | Low | 55 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 154.1 | 172.8 | 165.7 | -91.5 | 0 | 0 | 0 | 111.7 | C988 I1001 R1006 S1017 D1018 | C988-Y993 VanDerWaalsContact CB-CA 3.46Å; C988-Y993 PolarHBondContact SG-O 2.89Å; Y993-I1001 HydrophobicContact CD1-CD1 4.37Å; Y993-I1001 HydrophobicContact CD1-CG1 4.29Å; Y993-I1001 PolarHBondContact N-O 2.86Å; Y993-I1001 CarbonylContact O-C 3.58Å; Y993-I1001 WeakPolarHBondContact O-CG1 3.15Å; Y993-I1001 PolarHBondContact O-N 3.3Å; Y993-R1006 HydrophobicContact CD1-CB 3.72Å; Y993-R1006 HydrophobicContact CD1-CG 3.56Å; Y993-R1006 HydrophobicContact CD2-CB 4.19Å; Y993-R1006 HydrophobicContact CD2-CG 3.72Å; Y993-R1006 HydrophobicContact CE1-CB 4.48Å; Y993-R1006 HydrophobicContact CE1-CG 3.85Å; Y993-R1006 HydrophobicContact CE2-CG 3.95Å; Y993-R1006 HydrophobicContact CG-CB 3.55Å; Y993-R1006 HydrophobicContact CG-CG 3.49Å; Y993-R1006 VanDerWaalsContact CG-CG 3.49Å; Y993-S1017 PolarHBondContact OH-O 2.99Å; Y993-S1017 VanDerWaalsContact OH-O 3.14Å; Y993-D1018 HydrophobicContact CD1-CB 4.28Å; Y993-D1018 VanDerWaalsContact CE1-CA 3.49Å; Y993-D1018 HydrophobicContact CE1-CB 3.87Å |
| 994 | Q | 65.6 | Low | 55.6 | Low | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.4 | -172.8 | 177.3 | 173.3 | -14.4 | 0 | 0 | 114.3 | P986 R987 C988 E999 C1000 | P986-Q994 HydrophobicContact CB-CB 3.8Å; P986-Q994 HydrophobicContact CB-CG 3.78Å; P986-Q994 HydrophobicContact CG-CB 4.3Å; P986-Q994 HydrophobicContact CG-CG 4.4Å; R987-Q994 PolarHBondContact O-OE1 2.85Å; C988-Q994 HydrophobicContact CB-CB 4.36Å; Q994-E999 WeakPolarHBondContact CA-O 3.27Å; Q994-E999 WeakPolarHBondContact CG-O 2.97Å; Q994-C1000 PolarHBondContact OE1-SG 3.02Å; Q994-C1000 VanDerWaalsContact OE1-SG 3.4Å |
| 995 | C | 67 | Low | 56.4 | Low | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | trans | -78.9 | 156.2 | -174.6 | -57.6 | 0 | 0 | 0 | 0 | 116.1 | S997 G998 E999 C1013 S1017 | C995-S997 VanDerWaalsContact CB-OG 3.28Å; C995-S997 WeakPolarHBondContact CB-OG 3.27Å; C995-S997 PolarHBondContact O-N 3.15Å; C995-G998 PolarHBondContact O-N 2.77Å; C995-E999 HydrophobicContact CB-CB 4.29Å; C995-E999 WeakPolarHBondContact CB-O 3.22Å; C995-E999 PolarHBondContact N-O 2.72Å; C995-E999 PolarHBondContact SG-O 3.15Å; C995-C1013 WeakPolarHBondContact CA-SG 3.43Å; C995-C1013 HydrophobicContact CB-CB 3.52Å; C995-C1013 WeakPolarHBondContact CB-SG 3.38Å; C995-C1013 WeakPolarHBondContact SG-CA 3.45Å; C995-C1013 WeakPolarHBondContact SG-CB 3.4Å; C995-C1013 CovalentContact SG-SG 2Å; C995-C1013 PolarHBondContact SG-SG 2.89Å; C995-S1017 VanDerWaalsContact CA-OG 3.31Å; C995-S1017 WeakPolarHBondContact CA-OG 3.49Å; C995-S1017 WeakPolarHBondContact CB-OG 3.37Å | ||
| 996 | S | 65.3 | Low | 56.6 | Low | 79 Ų | 79 | 60.6 Ų | 60.6 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.9 | 161.7 | 70.3 | 0 | 0 | 0 | 0 | 113 | G998 D1015 S1017 | S996-G998 VanDerWaalsContact C-N 3.25Å; S996-D1015 PolarHBondContact OG-OD2 3.25Å; S996-S1017 PolarHBondContact N-OG 3.21Å; S996-S1017 WeakPolarHBondContact OG-CB 3.25Å; S996-S1017 PolarHBondContact OG-OG 3.09Å |
| 997 | S | 57.2 | Low | 57.3 | Low | 42 Ų | 42 | 59.9 Ų | 59.9 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6.7 | 166.1 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | C995 R1014 | C995-S997 VanDerWaalsContact CB-OG 3.28Å; C995-S997 WeakPolarHBondContact CB-OG 3.27Å; C995-S997 PolarHBondContact O-N 3.15Å; S997-R1014 PolarHBondContact OG-N 2.93Å; S997-R1014 VanDerWaalsContact OG-N 3.15Å |
| 998 | G | 58.1 | Low | 57.8 | Low | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 83.7 | 9.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | C995 S996 | C995-G998 PolarHBondContact O-N 2.77Å; S996-G998 VanDerWaalsContact C-N 3.25Å |
| 999 | E | 58.9 | Low | 58.5 | Low | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | trans | -90.3 | 147.3 | 178.2 | -59.3 | -74.2 | -175.1 | 0 | 0 | 111.9 | Q994 C995 | Q994-E999 WeakPolarHBondContact CA-O 3.27Å; Q994-E999 WeakPolarHBondContact CG-O 2.97Å; C995-E999 HydrophobicContact CB-CB 4.29Å; C995-E999 WeakPolarHBondContact CB-O 3.22Å; C995-E999 PolarHBondContact N-O 2.72Å; C995-E999 PolarHBondContact SG-O 3.15Å | ||
| 1000 | C | 66.7 | Low | 58.7 | Low | 63 Ų | 63 | 57.2 Ų | 57.2 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.4 | -167.2 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | R987 C988 Q994 | R987-C1000 PolarHBondContact O-SG 2.95Å; C988-C1000 VanDerWaalsContact SG-CA 3.5Å; C988-C1000 WeakPolarHBondContact SG-CB 3.28Å; Q994-C1000 PolarHBondContact OE1-SG 3.02Å; Q994-C1000 VanDerWaalsContact OE1-SG 3.4Å |
| 1001 | I | 60.3 | Low | 59.4 | Low | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 174.6 | -168.3 | 55.3 | -179.9 | 0 | 0 | 0 | 112.8 | C988 Q992 Y993 M1005 D1012 D1018 | C988-I1001 PolarHBondContact SG-N 3.14Å; C988-I1001 VanDerWaalsContact SG-N 3.44Å; C988-I1001 PolarHBondContact SG-O 3.03Å; Q992-I1001 CarbonylContact C-O 3.53Å; Q992-I1001 WeakPolarHBondContact CA-O 3.08Å; Q992-I1001 WeakPolarHBondContact CB-O 3.1Å; Q992-I1001 WeakPolarHBondContact CG-O 3.39Å; Y993-I1001 HydrophobicContact CD1-CD1 4.37Å; Y993-I1001 HydrophobicContact CD1-CG1 4.29Å; Y993-I1001 PolarHBondContact N-O 2.86Å; Y993-I1001 CarbonylContact O-C 3.58Å; Y993-I1001 WeakPolarHBondContact O-CG1 3.15Å; Y993-I1001 PolarHBondContact O-N 3.3Å; I1001-M1005 HydrophobicContact CB-CB 4.22Å; I1001-M1005 HydrophobicContact CB-CE 3.63Å; I1001-M1005 HydrophobicContact CD1-CB 4.16Å; I1001-M1005 WeakPolarHBondContact CD1-O 3.43Å; I1001-M1005 HydrophobicContact CG1-CB 4.34Å; I1001-M1005 HydrophobicContact CG2-CE 3.8Å; I1001-D1012 HydrophobicContact CD1-CB 3.84Å; I1001-D1012 HydrophobicContact CG2-CB 4Å; I1001-D1018 HydrophobicContact CD1-CB 4.08Å |
| 1002 | E | 55.7 | Low | 59.7 | Low | 63 Ų | 63 | 59.2 Ų | 59.2 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 160.1 | 178.8 | -80.1 | -169.1 | 156.9 | 0 | 0 | 113.8 | Q992 Q1004 M1005 R1006 R1329 | Q992-E1002 HydrophobicContact CG-CB 4.36Å; Q992-E1002 HydrophobicContact CG-CG 3.69Å; E1002-Q1004 VanDerWaalsContact C-N 3.28Å; E1002-Q1004 HydrophobicContact CB-CG 3.79Å; E1002-Q1004 PolarHBondContact OE2-NE2 2.83Å; E1002-M1005 VanDerWaalsContact C-N 3.35Å; E1002-M1005 HydrophobicContact CB-CG 4.13Å; E1002-M1005 CarbonylContact O-C 3.49Å; E1002-M1005 VanDerWaalsContact O-C 3.23Å; E1002-M1005 WeakPolarHBondContact O-CA 3.4Å; E1002-M1005 WeakPolarHBondContact O-CB 3.04Å; E1002-M1005 PolarHBondContact O-N 2.97Å; E1002-R1006 PolarHBondContact O-N 3.12Å; E1002-R1329 IonicContact OE2-CZ 3.27Å; E1002-R1329 IonicContact OE2-NH1 3.22Å; E1002-R1329 PolarHBondContact OE2-NH1 3.28Å; E1002-R1329 IonicContact OE2-NH2 2.89Å; E1002-R1329 PolarHBondContact OE2-NH2 2.82Å |
| 1003 | Q | 64.3 | Low | 59.8 | Low | 106 Ų | 106 | 57.1 Ų | 57.1 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -77.3 | -25.7 | -175.3 | -154.7 | 163.4 | 88 | 0 | 0 | 110.8 | G991 Q992 M1005 R1006 | G991-Q1003 PolarHBondContact O-N 2.86Å; Q992-Q1003 VanDerWaalsContact CA-N 3.28Å; Q992-Q1003 PolarHBondContact O-NE2 3.07Å; Q1003-M1005 PolarHBondContact O-N 2.88Å; Q1003-R1006 PolarHBondContact O-N 2.81Å; Q1003-R1006 VanDerWaalsContact O-N 3.13Å |
| 1004 | Q | 62 | Low | 59.9 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -72.4 | 13 | 157.2 | 56 | -174.1 | -28.3 | 0 | 0 | 113.6 | E1002 D1008 R1329 P1332 | E1002-Q1004 VanDerWaalsContact C-N 3.28Å; E1002-Q1004 HydrophobicContact CB-CG 3.79Å; E1002-Q1004 PolarHBondContact OE2-NE2 2.83Å; Q1004-D1008 WeakPolarHBondContact O-CB 3.31Å; Q1004-R1329 VanDerWaalsContact CD-CZ 3.43Å; Q1004-P1332 HydrophobicContact CB-CG 4.27Å |
| 1005 | M | 60.2 | Low | 59.5 | Low | 35 Ų | 35 | 69.8 Ų | 69.8 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -130.6 | 24 | 164.5 | -46.1 | -165 | -24.8 | 0 | 0 | 109.9 | I1001 E1002 Q1003 D1012 R1329 | I1001-M1005 HydrophobicContact CB-CB 4.22Å; I1001-M1005 HydrophobicContact CB-CE 3.63Å; I1001-M1005 HydrophobicContact CD1-CB 4.16Å; I1001-M1005 WeakPolarHBondContact CD1-O 3.43Å; I1001-M1005 HydrophobicContact CG1-CB 4.34Å; I1001-M1005 HydrophobicContact CG2-CE 3.8Å; E1002-M1005 VanDerWaalsContact C-N 3.35Å; E1002-M1005 HydrophobicContact CB-CG 4.13Å; E1002-M1005 CarbonylContact O-C 3.49Å; E1002-M1005 VanDerWaalsContact O-C 3.23Å; E1002-M1005 WeakPolarHBondContact O-CA 3.4Å; E1002-M1005 WeakPolarHBondContact O-CB 3.04Å; E1002-M1005 PolarHBondContact O-N 2.97Å; Q1003-M1005 PolarHBondContact O-N 2.88Å; M1005-D1012 WeakPolarHBondContact CE-OD2 3.13Å; M1005-R1329 PolarHBondContact SD-NH2 2.88Å |
| 1006 | R | 48.2 | Very low | 59 | Low | 67 Ų | 67 | 71.5 Ų | 71.5 | 25% | 0.253 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -108.3 | 133.8 | 154.9 | -162.6 | -161.8 | -173.7 | -166.9 | -2.4 | 107.3 | Y993 E1002 Q1003 D1008 D1018 T1020 G1021 | Y993-R1006 HydrophobicContact CD1-CB 3.72Å; Y993-R1006 HydrophobicContact CD1-CG 3.56Å; Y993-R1006 HydrophobicContact CD2-CB 4.19Å; Y993-R1006 HydrophobicContact CD2-CG 3.72Å; Y993-R1006 HydrophobicContact CE1-CB 4.48Å; Y993-R1006 HydrophobicContact CE1-CG 3.85Å; Y993-R1006 HydrophobicContact CE2-CG 3.95Å; Y993-R1006 HydrophobicContact CG-CB 3.55Å; Y993-R1006 HydrophobicContact CG-CG 3.49Å; Y993-R1006 VanDerWaalsContact CG-CG 3.49Å; E1002-R1006 PolarHBondContact O-N 3.12Å; Q1003-R1006 PolarHBondContact O-N 2.81Å; Q1003-R1006 VanDerWaalsContact O-N 3.13Å; R1006-D1008 PolarHBondContact O-N 2.86Å; R1006-D1018 VanDerWaalsContact CG-O 3.26Å; R1006-D1018 WeakPolarHBondContact CG-O 3.36Å; R1006-T1020 PolarHBondContact NH2-O 2.9Å; R1006-G1021 VanDerWaalsContact NH2-C 3.25Å; R1006-G1021 PolarHBondContact NH2-O 2.89Å |
| 1007 | C | 64.3 | Low | 58.8 | Low | 45 Ų | 45 | 67.9 Ų | 67.9 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 55.2 | 32.6 | -177.5 | -13.7 | 0 | 0 | 0 | 0 | 112.1 | E1019 C1022 | C1007-E1019 VanDerWaalsContact CA-OE1 3.31Å; C1007-E1019 WeakPolarHBondContact CA-OE1 3.16Å; C1007-C1022 HydrophobicContact CB-CB 4.07Å; C1007-C1022 WeakPolarHBondContact CB-SG 3.32Å; C1007-C1022 WeakPolarHBondContact SG-CB 3.18Å; C1007-C1022 CovalentContact SG-SG 2.05Å; C1007-C1022 PolarHBondContact SG-SG 2.87Å |
| 1008 | D | 51.7 | Low | 59.1 | Low | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -101.4 | -5.2 | 177.2 | 97.4 | -40.4 | 0 | 0 | 0 | 113.4 | Q1004 R1006 R1010 E1019 | Q1004-D1008 WeakPolarHBondContact O-CB 3.31Å; R1006-D1008 PolarHBondContact O-N 2.86Å; D1008-R1010 PolarHBondContact OD1-N 2.87Å; D1008-R1010 VanDerWaalsContact OD1-N 3.13Å; D1008-R1010 IonicContact OD2-CZ 2.75Å; D1008-R1010 IonicContact OD2-NE 3.84Å; D1008-R1010 PolarHBondContact OD2-NE 2.83Å; D1008-R1010 IonicContact OD2-NH2 2.83Å; D1008-R1010 PolarHBondContact OD2-NH2 3.43Å; D1008-E1019 PolarHBondContact N-OE1 2.89Å |
| 1009 | G | 61.2 | Low | 59.5 | Low | 60 Ų | 60 | 68.6 Ų | 68.6 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 92 | 7.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1019 | G1009-E1019 WeakPolarHBondContact CA-OE1 3.24Å; G1009-E1019 PolarHBondContact N-OE1 3.24Å |
| 1010 | R | 50.2 | Low | 59.4 | Low | 105 Ų | 105 | 68 Ų | 68 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | trans | -111.7 | 132.2 | 170.2 | -77.7 | -179.4 | -69.9 | -132 | -10.4 | 112.5 | D1008 D1012 D1018 | D1008-R1010 PolarHBondContact OD1-N 2.87Å; D1008-R1010 VanDerWaalsContact OD1-N 3.13Å; D1008-R1010 IonicContact OD2-CZ 2.75Å; D1008-R1010 IonicContact OD2-NE 3.84Å; D1008-R1010 PolarHBondContact OD2-NE 2.83Å; D1008-R1010 IonicContact OD2-NH2 2.83Å; D1008-R1010 PolarHBondContact OD2-NH2 3.43Å; R1010-D1012 PolarHBondContact O-N 2.91Å; R1010-D1018 VanDerWaalsContact O-CG 3.3Å | ||
| 1011 | Q | 63.4 | Low | 58.4 | Low | 143 Ų | 143 | 68.1 Ų | 68.1 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | trans | -76 | 69.1 | 169.4 | -177.2 | 172.8 | 94 | 0 | 0 | 110 | C1013 A1016 | Q1011-C1013 VanDerWaalsContact CG-O 3.25Å; Q1011-C1013 WeakPolarHBondContact CG-O 3.45Å; Q1011-A1016 HydrophobicContact CG-CB 4.49Å | ||
| 1012 | D | 52.2 | Low | 57.8 | Low | 64 Ų | 64 | 69.8 Ų | 69.8 | 34% | 0.342 | 37% | 0.373 | S | S | . | . | trans | -77.2 | -17.6 | 173.2 | -67.3 | -29 | 0 | 0 | 0 | 110.4 | I1001 M1005 R1010 D1018 | I1001-D1012 HydrophobicContact CD1-CB 3.84Å; I1001-D1012 HydrophobicContact CG2-CB 4Å; M1005-D1012 WeakPolarHBondContact CE-OD2 3.13Å; R1010-D1012 PolarHBondContact O-N 2.91Å; D1012-D1018 PolarHBondContact N-OD2 2Å; D1012-D1018 VanDerWaalsContact N-OD2 3.11Å | ||
| 1013 | C | 61.5 | Low | 57.3 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -75.2 | 124.8 | 164.8 | -61.5 | 0 | 0 | 0 | 0 | 114.1 | C995 Q1011 D1015 A1016 S1017 D1018 | C995-C1013 WeakPolarHBondContact CA-SG 3.43Å; C995-C1013 HydrophobicContact CB-CB 3.52Å; C995-C1013 WeakPolarHBondContact CB-SG 3.38Å; C995-C1013 WeakPolarHBondContact SG-CA 3.45Å; C995-C1013 WeakPolarHBondContact SG-CB 3.4Å; C995-C1013 CovalentContact SG-SG 2Å; C995-C1013 PolarHBondContact SG-SG 2.89Å; Q1011-C1013 VanDerWaalsContact CG-O 3.25Å; Q1011-C1013 WeakPolarHBondContact CG-O 3.45Å; C1013-D1015 PolarHBondContact O-N 3.15Å; C1013-A1016 PolarHBondContact O-N 2.68Å; C1013-S1017 VanDerWaalsContact CB-OG 3.27Å; C1013-S1017 WeakPolarHBondContact CB-OG 3.32Å; C1013-S1017 PolarHBondContact SG-OG 2.95Å; C1013-D1018 VanDerWaalsContact CB-OD2 3.27Å; C1013-D1018 WeakPolarHBondContact CB-OD2 3.42Å; C1013-D1018 PolarHBondContact N-OD2 2.75Å; C1013-D1018 VanDerWaalsContact SG-CB 3.57Å; C1013-D1018 VanDerWaalsContact SG-CG 3.54Å; C1013-D1018 PolarHBondContact SG-N 2.78Å; C1013-D1018 PolarHBondContact SG-OD2 3.2Å |
| 1014 | R | 64.3 | Low | 56.7 | Low | 216 Ų | 216 | 71.8 Ų | 71.8 | 82% | 0.815 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.4 | 174.6 | -156.4 | 175.1 | -173.9 | 163.3 | 2.7 | 114.9 | S997 | S997-R1014 PolarHBondContact OG-N 2.93Å; S997-R1014 VanDerWaalsContact OG-N 3.15Å |
| 1015 | D | 56.3 | Low | 55.8 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 31.9 | 176.4 | -166 | 48.8 | 0 | 0 | 0 | 111.4 | S996 C1013 S1017 | S996-D1015 PolarHBondContact OG-OD2 3.25Å; C1013-D1015 PolarHBondContact O-N 3.15Å; D1015-S1017 VanDerWaalsContact C-N 3.34Å; D1015-S1017 PolarHBondContact O-N 3.37Å; D1015-S1017 VanDerWaalsContact O-N 3.15Å |
| 1016 | A | 57.1 | Low | 55.5 | Low | 44 Ų | 44 | 80.1 Ų | 80.1 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 62.3 | 23.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q1011 C1013 | Q1011-A1016 HydrophobicContact CG-CB 4.49Å; C1013-A1016 PolarHBondContact O-N 2.68Å |
| 1017 | S | 61.5 | Low | 55.5 | Low | 2 Ų | 2 | 86.1 Ų | 86.1 | 1% | 0.014 | 46% | 0.457 | C | S | . | . | trans | -100 | -16.8 | -160.4 | 43.5 | 0 | 0 | 0 | 0 | 117.7 | Y993 C995 S996 C1013 D1015 E1019 T1020 | Y993-S1017 PolarHBondContact OH-O 2.99Å; Y993-S1017 VanDerWaalsContact OH-O 3.14Å; C995-S1017 VanDerWaalsContact CA-OG 3.31Å; C995-S1017 WeakPolarHBondContact CA-OG 3.49Å; C995-S1017 WeakPolarHBondContact CB-OG 3.37Å; S996-S1017 PolarHBondContact N-OG 3.21Å; S996-S1017 WeakPolarHBondContact OG-CB 3.25Å; S996-S1017 PolarHBondContact OG-OG 3.09Å; C1013-S1017 VanDerWaalsContact CB-OG 3.27Å; C1013-S1017 WeakPolarHBondContact CB-OG 3.32Å; C1013-S1017 PolarHBondContact SG-OG 2.95Å; D1015-S1017 VanDerWaalsContact C-N 3.34Å; D1015-S1017 PolarHBondContact O-N 3.37Å; D1015-S1017 VanDerWaalsContact O-N 3.15Å; S1017-E1019 PolarHBondContact O-N 3.05Å; S1017-T1020 WeakPolarHBondContact O-CB 3.39Å; S1017-T1020 PolarHBondContact O-N 3.15Å; S1017-T1020 PolarHBondContact O-OG1 3.29Å | ||
| 1018 | D | 62.6 | Low | 54.6 | Low | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.005 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35.2 | 176 | 40.4 | 42.1 | 0 | 0 | 0 | 112.8 | Y993 I1001 R1006 R1010 D1012 C1013 T1020 | Y993-D1018 HydrophobicContact CD1-CB 4.28Å; Y993-D1018 VanDerWaalsContact CE1-CA 3.49Å; Y993-D1018 HydrophobicContact CE1-CB 3.87Å; I1001-D1018 HydrophobicContact CD1-CB 4.08Å; R1006-D1018 VanDerWaalsContact CG-O 3.26Å; R1006-D1018 WeakPolarHBondContact CG-O 3.36Å; R1010-D1018 VanDerWaalsContact O-CG 3.3Å; D1012-D1018 PolarHBondContact N-OD2 2Å; D1012-D1018 VanDerWaalsContact N-OD2 3.11Å; C1013-D1018 VanDerWaalsContact CB-OD2 3.27Å; C1013-D1018 WeakPolarHBondContact CB-OD2 3.42Å; C1013-D1018 PolarHBondContact N-OD2 2.75Å; C1013-D1018 VanDerWaalsContact SG-CB 3.57Å; C1013-D1018 VanDerWaalsContact SG-CG 3.54Å; C1013-D1018 PolarHBondContact SG-N 2.78Å; C1013-D1018 PolarHBondContact SG-OD2 3.2Å; D1018-T1020 VanDerWaalsContact C-N 3.27Å; D1018-T1020 PolarHBondContact O-N 3.01Å |
| 1019 | E | 67.5 | Low | 54.5 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 12.8 | 172 | -64.9 | -55.4 | 144 | 0 | 0 | 114.6 | C1007 D1008 G1009 S1017 | C1007-E1019 VanDerWaalsContact CA-OE1 3.31Å; C1007-E1019 WeakPolarHBondContact CA-OE1 3.16Å; D1008-E1019 PolarHBondContact N-OE1 2.89Å; G1009-E1019 WeakPolarHBondContact CA-OE1 3.24Å; G1009-E1019 PolarHBondContact N-OE1 3.24Å; S1017-E1019 PolarHBondContact O-N 3.05Å |
| 1020 | T | 56.6 | Low | 54.6 | Low | 79 Ų | 79 | 90.7 Ų | 90.7 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -109.9 | 128.6 | 179.2 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | R1006 S1017 D1018 | R1006-T1020 PolarHBondContact NH2-O 2.9Å; S1017-T1020 WeakPolarHBondContact O-CB 3.39Å; S1017-T1020 PolarHBondContact O-N 3.15Å; S1017-T1020 PolarHBondContact O-OG1 3.29Å; D1018-T1020 VanDerWaalsContact C-N 3.27Å; D1018-T1020 PolarHBondContact O-N 3.01Å |
| 1021 | G | 44.7 | Very low | 55.2 | Low | 66 Ų | 66 | 89 Ų | 89 | 68% | 0.68 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 70.7 | 40.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1006 P1023 | R1006-G1021 VanDerWaalsContact NH2-C 3.25Å; R1006-G1021 PolarHBondContact NH2-O 2.89Å; G1021-P1023 WeakPolarHBondContact O-CD 3.32Å |
| 1022 | C | 48.3 | Very low | 55.4 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | trans | -87.5 | 112.1 | 169.9 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | C1007 | C1007-C1022 HydrophobicContact CB-CB 4.07Å; C1007-C1022 WeakPolarHBondContact CB-SG 3.32Å; C1007-C1022 WeakPolarHBondContact SG-CB 3.18Å; C1007-C1022 CovalentContact SG-SG 2.05Å; C1007-C1022 PolarHBondContact SG-SG 2.87Å | ||
| 1023 | P | 44.6 | Very low | 56.1 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 66% | 0.656 | 45% | 0.452 | S | S | * | . | trans | -85.3 | 154.7 | 173.8 | -7.2 | 27.2 | 0 | 0 | 0 | 111.7 | G1021 | G1021-P1023 WeakPolarHBondContact O-CD 3.32Š| ||
| 1024 | P | 51.7 | Low | 56.2 | Low | 111 Ų | 111 | 88.7 Ų | 88.7 | 72% | 0.721 | 48% | 0.477 | S | S | * | . | trans | -61.3 | 141.3 | 174.9 | -19.1 | 31.8 | 0 | 0 | 0 | 111.5 | ||||
| 1025 | R | 44.5 | Very low | 55.7 | Low | 241 Ų | 241 | 81.2 Ų | 81.2 | 91% | 0.909 | 46% | 0.457 | S | S | * | . | trans | -147.1 | 134.4 | 177.5 | -136.3 | -176.2 | -169.9 | -171.4 | 3 | 111.3 | ||||
| 1026 | C | 53.8 | Low | 55.7 | Low | 47 Ų | 47 | 77.7 Ų | 77.7 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | trans | -129.9 | 156.4 | -177.5 | -46.2 | 0 | 0 | 0 | 0 | 108.7 | Q1030 C1038 | C1026-Q1030 HydrophobicContact CB-CB 4.43Å; C1026-C1038 HydrophobicContact CB-CB 3.35Å; C1026-C1038 WeakPolarHBondContact CB-SG 3.36Å; C1026-C1038 WeakPolarHBondContact SG-CB 3.35Å; C1026-C1038 CovalentContact SG-SG 2.01Å; C1026-C1038 PolarHBondContact SG-SG 2.87Å | ||
| 1027 | R | 47.3 | Very low | 55.9 | Low | 193 Ų | 193 | 79.5 Ų | 79.5 | 73% | 0.728 | 45% | 0.446 | S | S | * | . | trans | -99.1 | 152.9 | -178.2 | -70.3 | -176.7 | 173.4 | 81.3 | -2 | 111.6 | G1029 Q1030 | R1027-G1029 PolarHBondContact O-N 3.44Å; R1027-Q1030 WeakPolarHBondContact O-CA 3.16Å; R1027-Q1030 VanDerWaalsContact O-CB 3.27Å; R1027-Q1030 WeakPolarHBondContact O-CB 3.44Å; R1027-Q1030 PolarHBondContact O-N 2.87Å | ||
| 1028 | P | 46.1 | Very low | 56 | Low | 136 Ų | 136 | 80.5 Ų | 80.5 | 88% | 0.883 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 136.8 | 160 | -23.7 | 34.7 | 0 | 0 | 0 | 109.9 | ||
| 1029 | G | 49.9 | Very low | 56.1 | Low | 35 Ų | 35 | 81.4 Ų | 81.4 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -21 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1027 E1040 Q1041 | R1027-G1029 PolarHBondContact O-N 3.44Å; G1029-E1040 CarbonylContact O-C 3.39Å; G1029-E1040 WeakPolarHBondContact O-CA 3.42Å; G1029-E1040 WeakPolarHBondContact O-CG 3.33Å; G1029-Q1041 WeakPolarHBondContact O-CG 3.42Å; G1029-Q1041 PolarHBondContact O-N 2.63Å |
| 1030 | Q | 61.7 | Low | 55.6 | Low | 67 Ų | 67 | 81.4 Ų | 81.4 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.3 | 172.1 | -58.9 | 174.7 | -42.8 | 0 | 0 | 111.5 | C1026 R1027 C1038 I1039 E1040 | C1026-Q1030 HydrophobicContact CB-CB 4.43Å; R1027-Q1030 WeakPolarHBondContact O-CA 3.16Å; R1027-Q1030 VanDerWaalsContact O-CB 3.27Å; R1027-Q1030 WeakPolarHBondContact O-CB 3.44Å; R1027-Q1030 PolarHBondContact O-N 2.87Å; Q1030-C1038 HydrophobicContact CB-CB 4.15Å; Q1030-I1039 CarbonylContact C-O 3.58Å; Q1030-I1039 WeakPolarHBondContact CA-O 3.05Å; Q1030-E1040 HydrophobicContact CG-CB 4.44Å; Q1030-E1040 HydrophobicContact CG-CG 4.25Å |
| 1031 | Y | 64.5 | Low | 55.9 | Low | 69 Ų | 69 | 84.3 Ų | 84.3 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.7 | 166.9 | 171.4 | -107.5 | 0 | 0 | 0 | 110 | C1038 I1039 S1055 D1056 | Y1031-C1038 CarbonylContact O-C 3.58Å; Y1031-C1038 WeakPolarHBondContact O-CA 3.16Å; Y1031-C1038 VanDerWaalsContact O-CB 3.31Å; Y1031-C1038 WeakPolarHBondContact O-CB 3.36Å; Y1031-I1039 HydrophobicContact CD1-CD1 4.37Å; Y1031-I1039 HydrophobicContact CD1-CG1 4.12Å; Y1031-I1039 PolarHBondContact N-O 2.67Å; Y1031-I1039 PolarHBondContact O-N 2.84Å; Y1031-S1055 WeakPolarHBondContact OH-CB 3.35Å; Y1031-S1055 PolarHBondContact OH-O 3.39Å; Y1031-D1056 HydrophobicContact CD1-CB 4.45Å; Y1031-D1056 HydrophobicContact CE1-CB 4.31Å |
| 1032 | Q | 67.4 | Low | 56.6 | Low | 124 Ų | 124 | 88 Ų | 88 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.2 | 174.3 | 179.8 | 163.7 | 28.7 | 0 | 0 | 110.5 | C1038 | Q1032-C1038 HydrophobicContact CB-CB 4.47Å; Q1032-C1038 VanDerWaalsContact CB-SG 3.59Å |
| 1033 | C | 66 | Low | 57.2 | Low | 3 Ų | 3 | 88.8 Ų | 88.8 | 2% | 0.02 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 147.3 | 169.3 | -80 | 0 | 0 | 0 | 0 | 111.4 | S1035 G1036 E1037 C1051 | C1033-S1035 PolarHBondContact O-N 2.79Å; C1033-S1035 VanDerWaalsContact O-N 3.08Å; C1033-G1036 PolarHBondContact O-N 3.33Å; C1033-E1037 HydrophobicContact CB-CB 4.39Å; C1033-E1037 WeakPolarHBondContact CB-O 3.31Å; C1033-E1037 PolarHBondContact N-O 2.77Å; C1033-C1051 VanDerWaalsContact CA-SG 3.58Å; C1033-C1051 HydrophobicContact CB-CB 4.41Å; C1033-C1051 WeakPolarHBondContact CB-SG 3.31Å; C1033-C1051 WeakPolarHBondContact SG-CA 3.28Å; C1033-C1051 WeakPolarHBondContact SG-CB 3.41Å; C1033-C1051 CovalentContact SG-SG 2.03Å; C1033-C1051 PolarHBondContact SG-SG 2.92Å |
| 1034 | S | 63.3 | Low | 57.5 | Low | 75 Ų | 75 | 88.7 Ų | 88.7 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23 | 170.8 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | D1053 S1055 | S1034-D1053 WeakPolarHBondContact CB-OD2 3.39Å; S1034-D1053 VanDerWaalsContact OG-CB 3.24Å; S1034-D1053 WeakPolarHBondContact OG-CB 3.37Å; S1034-D1053 PolarHBondContact OG-OD2 3.38Å; S1034-S1055 PolarHBondContact OG-OG 3.26Å; S1034-S1055 VanDerWaalsContact OG-OG 3.12Å |
| 1035 | S | 55.1 | Low | 58.3 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.5 | 174.6 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | C1033 | C1033-S1035 PolarHBondContact O-N 2.79Å; C1033-S1035 VanDerWaalsContact O-N 3.08Å |
| 1036 | G | 55.8 | Low | 58.9 | Low | 29 Ų | 29 | 77.6 Ų | 77.6 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 95.1 | -8.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1033 | C1033-G1036 PolarHBondContact O-N 3.33Š|
| 1037 | E | 60.1 | Low | 59.2 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | trans | -67.9 | 164.2 | 161.8 | -50.8 | -81.1 | 179.7 | 0 | 0 | 109.5 | C1033 R1369 | C1033-E1037 HydrophobicContact CB-CB 4.39Å; C1033-E1037 WeakPolarHBondContact CB-O 3.31Å; C1033-E1037 PolarHBondContact N-O 2.77Å; E1037-R1369 IonicContact OE1-CZ 3.67Å; E1037-R1369 VanDerWaalsContact OE1-CZ 3.27Å; E1037-R1369 IonicContact OE1-NE 3.2Å; E1037-R1369 PolarHBondContact OE1-NE 2.05Å; E1037-R1369 IonicContact OE1-NH2 2.74Å; E1037-R1369 PolarHBondContact OE1-NH2 2.77Å | ||
| 1038 | C | 65.4 | Low | 59.4 | Low | 24 Ų | 24 | 75.9 Ų | 75.9 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143.3 | 167.8 | -42.5 | 0 | 0 | 0 | 0 | 112.5 | C1026 Q1030 Y1031 Q1032 | C1026-C1038 HydrophobicContact CB-CB 3.35Å; C1026-C1038 WeakPolarHBondContact CB-SG 3.36Å; C1026-C1038 WeakPolarHBondContact SG-CB 3.35Å; C1026-C1038 CovalentContact SG-SG 2.01Å; C1026-C1038 PolarHBondContact SG-SG 2.87Å; Q1030-C1038 HydrophobicContact CB-CB 4.15Å; Y1031-C1038 CarbonylContact O-C 3.58Å; Y1031-C1038 WeakPolarHBondContact O-CA 3.16Å; Y1031-C1038 VanDerWaalsContact O-CB 3.31Å; Y1031-C1038 WeakPolarHBondContact O-CB 3.36Å; Q1032-C1038 HydrophobicContact CB-CB 4.47Å; Q1032-C1038 VanDerWaalsContact CB-SG 3.59Å |
| 1039 | I | 64.1 | Low | 60 | Low | 20 Ų | 20 | 74.9 Ų | 74.9 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.8 | -172 | 57.3 | -173.5 | 0 | 0 | 0 | 109.2 | Q1030 Y1031 M1043 D1050 C1051 D1056 | Q1030-I1039 CarbonylContact C-O 3.58Å; Q1030-I1039 WeakPolarHBondContact CA-O 3.05Å; Y1031-I1039 HydrophobicContact CD1-CD1 4.37Å; Y1031-I1039 HydrophobicContact CD1-CG1 4.12Å; Y1031-I1039 PolarHBondContact N-O 2.67Å; Y1031-I1039 PolarHBondContact O-N 2.84Å; I1039-M1043 HydrophobicContact CB-CB 4.17Å; I1039-M1043 HydrophobicContact CB-CE 3.84Å; I1039-M1043 HydrophobicContact CD1-CB 4.22Å; I1039-M1043 WeakPolarHBondContact CD1-O 3.03Å; I1039-M1043 HydrophobicContact CG1-CB 4.34Å; I1039-M1043 HydrophobicContact CG2-CE 3.78Å; I1039-D1050 HydrophobicContact CD1-CB 3.95Å; I1039-C1051 HydrophobicContact CD1-CB 4.23Å; I1039-D1056 HydrophobicContact CD1-CB 3.83Å |
| 1040 | E | 56.3 | Low | 60.3 | Low | 95 Ų | 95 | 76 Ų | 76 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 147.3 | -177.1 | -140.5 | 163.1 | -115.9 | 0 | 0 | 111.5 | G1029 Q1030 Q1042 M1043 | G1029-E1040 CarbonylContact O-C 3.39Å; G1029-E1040 WeakPolarHBondContact O-CA 3.42Å; G1029-E1040 WeakPolarHBondContact O-CG 3.33Å; Q1030-E1040 HydrophobicContact CG-CB 4.44Å; Q1030-E1040 HydrophobicContact CG-CG 4.25Å; E1040-Q1042 HydrophobicContact CB-CG 4.13Å; E1040-Q1042 PolarHBondContact O-N 3.25Å; E1040-Q1042 PolarHBondContact OE2-NE2 2.74Å; E1040-M1043 WeakPolarHBondContact O-CA 3.47Å; E1040-M1043 PolarHBondContact O-N 3.08Å |
| 1041 | Q | 64.1 | Low | 60.5 | Low | 140 Ų | 140 | 72.9 Ų | 72.9 | 65% | 0.654 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.3 | -170.7 | -80 | -178.4 | 0.6 | 0 | 0 | 115.5 | G1029 | G1029-Q1041 WeakPolarHBondContact O-CG 3.42Å; G1029-Q1041 PolarHBondContact O-N 2.63Å |
| 1042 | Q | 58.9 | Low | 60.5 | Low | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -24.6 | 171.1 | 50.4 | 179.4 | -21.1 | 0 | 0 | 113.7 | E1040 R1044 | E1040-Q1042 HydrophobicContact CB-CG 4.13Å; E1040-Q1042 PolarHBondContact O-N 3.25Å; E1040-Q1042 PolarHBondContact OE2-NE2 2.74Å; Q1042-R1044 PolarHBondContact O-N 3.37Å; Q1042-R1044 VanDerWaalsContact O-N 3.11Å |
| 1043 | M | 60.1 | Low | 60 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86.9 | 62.3 | 167.5 | -50.5 | -147.4 | -40.4 | 0 | 0 | 108.6 | I1039 E1040 D1050 D1056 | I1039-M1043 HydrophobicContact CB-CB 4.17Å; I1039-M1043 HydrophobicContact CB-CE 3.84Å; I1039-M1043 HydrophobicContact CD1-CB 4.22Å; I1039-M1043 WeakPolarHBondContact CD1-O 3.03Å; I1039-M1043 HydrophobicContact CG1-CB 4.34Å; I1039-M1043 HydrophobicContact CG2-CE 3.78Å; E1040-M1043 WeakPolarHBondContact O-CA 3.47Å; E1040-M1043 PolarHBondContact O-N 3.08Å; M1043-D1050 HydrophobicContact CB-CB 4.44Å; M1043-D1050 HydrophobicContact CE-CB 3.92Å; M1043-D1056 WeakPolarHBondContact O-CB 3.37Å |
| 1044 | R | 52.3 | Low | 59.6 | Low | 99 Ų | 99 | 73.5 Ų | 73.5 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -153.6 | 118.9 | 169.7 | -177.6 | 176.8 | -176.6 | -81.7 | -22 | 106.5 | Q1042 D1056 T1058 G1059 | Q1042-R1044 PolarHBondContact O-N 3.37Å; Q1042-R1044 VanDerWaalsContact O-N 3.11Å; R1044-D1056 HydrophobicContact CB-CB 4.2Å; R1044-D1056 HydrophobicContact CG-CB 4.21Å; R1044-D1056 WeakPolarHBondContact CG-O 3.29Å; R1044-T1058 PolarHBondContact NH2-O 2.8Å; R1044-G1059 PolarHBondContact NH2-O 3.23Å |
| 1045 | C | 67.1 | Low | 59.8 | Low | 44 Ų | 44 | 71 Ų | 71 | 30% | 0.297 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 66.7 | 42.3 | -175.6 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | D1056 E1057 C1060 | C1045-D1056 PolarHBondContact N-O 2.7Å; C1045-E1057 WeakPolarHBondContact CA-OE1 3.18Å; C1045-E1057 PolarHBondContact N-OE1 2.81Å; C1045-C1060 WeakPolarHBondContact CA-SG 3.12Å; C1045-C1060 HydrophobicContact CB-CB 3.45Å; C1045-C1060 VanDerWaalsContact CB-CB 3.45Å; C1045-C1060 WeakPolarHBondContact CB-SG 3.22Å; C1045-C1060 WeakPolarHBondContact SG-CA 3.02Å; C1045-C1060 WeakPolarHBondContact SG-CB 3.14Å; C1045-C1060 CovalentContact SG-SG 2.03Å; C1045-C1060 PolarHBondContact SG-SG 3.16Å |
| 1046 | D | 57.4 | Low | 60.2 | Low | 74 Ų | 74 | 68.2 Ų | 68.2 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -88.9 | -30.7 | 176 | 157.5 | -77.2 | 0 | 0 | 0 | 112.2 | R1048 E1057 | D1046-R1048 VanDerWaalsContact CG-NH2 3.32Å; D1046-R1048 WeakPolarHBondContact OD1-CB 3.02Å; D1046-R1048 WeakPolarHBondContact OD1-CG 3.01Å; D1046-R1048 IonicContact OD1-CZ 3.59Å; D1046-R1048 PolarHBondContact OD1-N 2.96Å; D1046-R1048 IonicContact OD1-NE 3.69Å; D1046-R1048 PolarHBondContact OD1-NE 2.82Å; D1046-R1048 IonicContact OD1-NH2 3.11Å; D1046-R1048 PolarHBondContact OD1-NH2 2.8Å; D1046-R1048 IonicContact OD2-CZ 2.77Å; D1046-R1048 IonicContact OD2-NE 3.2Å; D1046-R1048 IonicContact OD2-NH2 3.29Å; D1046-R1048 PolarHBondContact OD2-NH2 2.82Å; D1046-E1057 PolarHBondContact N-OE1 3.49Å |
| 1047 | G | 60.5 | Low | 60.7 | Low | 58 Ų | 58 | 69.4 Ų | 69.4 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 111.3 | 1.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1057 | G1047-E1057 VanDerWaalsContact C-OE2 3.25Å; G1047-E1057 WeakPolarHBondContact CA-OE2 3.22Å; G1047-E1057 VanDerWaalsContact N-CD 3.26Å; G1047-E1057 PolarHBondContact N-OE1 2.65Å; G1047-E1057 PolarHBondContact N-OE2 2.85Å |
| 1048 | R | 51.6 | Low | 60.4 | Low | 146 Ų | 146 | 69.5 Ų | 69.5 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -139.2 | 134.4 | -176.2 | -66.4 | 174 | -70.5 | 155 | 3.3 | 111.9 | D1046 D1050 E1057 | D1046-R1048 VanDerWaalsContact CG-NH2 3.32Å; D1046-R1048 WeakPolarHBondContact OD1-CB 3.02Å; D1046-R1048 WeakPolarHBondContact OD1-CG 3.01Å; D1046-R1048 IonicContact OD1-CZ 3.59Å; D1046-R1048 PolarHBondContact OD1-N 2.96Å; D1046-R1048 IonicContact OD1-NE 3.69Å; D1046-R1048 PolarHBondContact OD1-NE 2.82Å; D1046-R1048 IonicContact OD1-NH2 3.11Å; D1046-R1048 PolarHBondContact OD1-NH2 2.8Å; D1046-R1048 IonicContact OD2-CZ 2.77Å; D1046-R1048 IonicContact OD2-NE 3.2Å; D1046-R1048 IonicContact OD2-NH2 3.29Å; D1046-R1048 PolarHBondContact OD2-NH2 2.82Å; R1048-D1050 PolarHBondContact O-N 2.87Å; R1048-E1057 VanDerWaalsContact N-CD 3.26Å; R1048-E1057 PolarHBondContact N-OE1 3.25Å; R1048-E1057 PolarHBondContact N-OE2 3.39Å; R1048-E1057 WeakPolarHBondContact O-CG 3.4Å |
| 1049 | Q | 58.7 | Low | 59.6 | Low | 115 Ų | 115 | 71.1 Ų | 71.1 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | trans | -79.5 | 66.8 | -173.1 | -159.8 | -152.9 | -68 | 0 | 0 | 112.1 | C1051 A1054 E1057 | Q1049-C1051 PolarHBondContact NE2-O 2.89Å; Q1049-C1051 PolarHBondContact O-N 2.84Å; Q1049-A1054 VanDerWaalsContact CG-CA 3.49Å; Q1049-A1054 HydrophobicContact CG-CB 3.75Å; Q1049-E1057 HydrophobicContact CB-CG 4.43Å | ||
| 1050 | D | 55.7 | Low | 58.9 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | trans | -64.6 | -20 | -179.1 | -67.4 | -31.3 | 0 | 0 | 0 | 111.8 | I1039 M1043 R1048 D1056 | I1039-D1050 HydrophobicContact CD1-CB 3.95Å; M1043-D1050 HydrophobicContact CB-CB 4.44Å; M1043-D1050 HydrophobicContact CE-CB 3.92Å; R1048-D1050 PolarHBondContact O-N 2.87Å; D1050-D1056 PolarHBondContact N-OD2 2.77Å | ||
| 1051 | C | 66.8 | Low | 58.4 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -85.5 | 126.5 | 171.9 | -160.2 | 0 | 0 | 0 | 0 | 113.1 | C1033 I1039 Q1049 D1053 A1054 D1056 | C1033-C1051 VanDerWaalsContact CA-SG 3.58Å; C1033-C1051 HydrophobicContact CB-CB 4.41Å; C1033-C1051 WeakPolarHBondContact CB-SG 3.31Å; C1033-C1051 WeakPolarHBondContact SG-CA 3.28Å; C1033-C1051 WeakPolarHBondContact SG-CB 3.41Å; C1033-C1051 CovalentContact SG-SG 2.03Å; C1033-C1051 PolarHBondContact SG-SG 2.92Å; I1039-C1051 HydrophobicContact CD1-CB 4.23Å; Q1049-C1051 PolarHBondContact NE2-O 2.89Å; Q1049-C1051 PolarHBondContact O-N 2.84Å; C1051-D1053 PolarHBondContact O-N 2.88Å; C1051-A1054 PolarHBondContact O-N 2.85Å; C1051-D1056 HydrophobicContact CB-CB 3.96Å; C1051-D1056 WeakPolarHBondContact CB-OD2 3.5Å; C1051-D1056 PolarHBondContact N-OD2 2.85Å |
| 1052 | R | 64.2 | Low | 57.6 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 1.1 | 179.7 | -147.2 | -167 | -170.8 | 86.7 | -4.1 | 115.7 | Q1372 | R1052-Q1372 VanDerWaalsContact NE-NE2 3.15Å; R1052-Q1372 VanDerWaalsContact NH2-NE2 3.16Å |
| 1053 | D | 56.3 | Low | 56.8 | Low | 90 Ų | 90 | 76.8 Ų | 76.8 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 34.6 | 173.8 | -175.5 | 45.6 | 0 | 0 | 0 | 110.4 | S1034 C1051 S1055 | S1034-D1053 WeakPolarHBondContact CB-OD2 3.39Å; S1034-D1053 VanDerWaalsContact OG-CB 3.24Å; S1034-D1053 WeakPolarHBondContact OG-CB 3.37Å; S1034-D1053 PolarHBondContact OG-OD2 3.38Å; C1051-D1053 PolarHBondContact O-N 2.88Å; D1053-S1055 PolarHBondContact O-N 3.14Å; D1053-S1055 PolarHBondContact O-OG 3.14Å |
| 1054 | A | 57.6 | Low | 56.3 | Low | 28 Ų | 28 | 76.4 Ų | 76.4 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 53.3 | 14.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q1049 C1051 D1056 T1058 | Q1049-A1054 VanDerWaalsContact CG-CA 3.49Å; Q1049-A1054 HydrophobicContact CG-CB 3.75Å; C1051-A1054 PolarHBondContact O-N 2.85Å; A1054-D1056 PolarHBondContact O-N 2.99Å; A1054-T1058 WeakPolarHBondContact O-CG2 3.44Å; A1054-T1058 PolarHBondContact O-N 2.81Å; A1054-T1058 PolarHBondContact O-OG1 2.69Å |
| 1055 | S | 66.9 | Low | 56.1 | Low | 23 Ų | 23 | 79.8 Ų | 79.8 | 16% | 0.161 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.4 | -168.7 | -37.5 | 0 | 0 | 0 | 0 | 114 | Y1031 S1034 D1053 | Y1031-S1055 WeakPolarHBondContact OH-CB 3.35Å; Y1031-S1055 PolarHBondContact OH-O 3.39Å; S1034-S1055 PolarHBondContact OG-OG 3.26Å; S1034-S1055 VanDerWaalsContact OG-OG 3.12Å; D1053-S1055 PolarHBondContact O-N 3.14Å; D1053-S1055 PolarHBondContact O-OG 3.14Å |
| 1056 | D | 64.1 | Low | 55.3 | Low | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -39.9 | 177.4 | 84.9 | 93.7 | 0 | 0 | 0 | 112.5 | Y1031 I1039 M1043 R1044 C1045 D1050 C1051 A1054 T1058 C1060 | Y1031-D1056 HydrophobicContact CD1-CB 4.45Å; Y1031-D1056 HydrophobicContact CE1-CB 4.31Å; I1039-D1056 HydrophobicContact CD1-CB 3.83Å; M1043-D1056 WeakPolarHBondContact O-CB 3.37Å; R1044-D1056 HydrophobicContact CB-CB 4.2Å; R1044-D1056 HydrophobicContact CG-CB 4.21Å; R1044-D1056 WeakPolarHBondContact CG-O 3.29Å; C1045-D1056 PolarHBondContact N-O 2.7Å; D1050-D1056 PolarHBondContact N-OD2 2.77Å; C1051-D1056 HydrophobicContact CB-CB 3.96Å; C1051-D1056 WeakPolarHBondContact CB-OD2 3.5Å; C1051-D1056 PolarHBondContact N-OD2 2.85Å; A1054-D1056 PolarHBondContact O-N 2.99Å; D1056-T1058 VanDerWaalsContact C-N 3.29Å; D1056-T1058 PolarHBondContact O-N 2.89Å; D1056-C1060 PolarHBondContact O-SG 2.89Å |
| 1057 | E | 67.1 | Low | 54.9 | Low | 53 Ų | 53 | 81.2 Ų | 81.2 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.5 | 175.9 | -82.2 | -63.3 | 110 | 0 | 0 | 114.8 | C1045 D1046 G1047 R1048 Q1049 C1060 | C1045-E1057 WeakPolarHBondContact CA-OE1 3.18Å; C1045-E1057 PolarHBondContact N-OE1 2.81Å; D1046-E1057 PolarHBondContact N-OE1 3.49Å; G1047-E1057 VanDerWaalsContact C-OE2 3.25Å; G1047-E1057 WeakPolarHBondContact CA-OE2 3.22Å; G1047-E1057 VanDerWaalsContact N-CD 3.26Å; G1047-E1057 PolarHBondContact N-OE1 2.65Å; G1047-E1057 PolarHBondContact N-OE2 2.85Å; R1048-E1057 VanDerWaalsContact N-CD 3.26Å; R1048-E1057 PolarHBondContact N-OE1 3.25Å; R1048-E1057 PolarHBondContact N-OE2 3.39Å; R1048-E1057 WeakPolarHBondContact O-CG 3.4Å; Q1049-E1057 HydrophobicContact CB-CG 4.43Å; E1057-C1060 PolarHBondContact O-SG 3.33Å; E1057-C1060 VanDerWaalsContact O-SG 3.39Å |
| 1058 | T | 53 | Low | 54.5 | Low | 84 Ų | 84 | 79.8 Ų | 79.8 | 52% | 0.515 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -100.9 | 134.7 | 177.5 | 48.9 | 0 | 0 | 0 | 0 | 112 | R1044 A1054 D1056 | R1044-T1058 PolarHBondContact NH2-O 2.8Å; A1054-T1058 WeakPolarHBondContact O-CG2 3.44Å; A1054-T1058 PolarHBondContact O-N 2.81Å; A1054-T1058 PolarHBondContact O-OG1 2.69Å; D1056-T1058 VanDerWaalsContact C-N 3.29Å; D1056-T1058 PolarHBondContact O-N 2.89Å |
| 1059 | G | 48.4 | Very low | 55.1 | Low | 58 Ų | 58 | 75.4 Ų | 75.4 | 60% | 0.598 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 78.3 | 49.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | R1044 | R1044-G1059 PolarHBondContact NH2-O 3.23Š|
| 1060 | C | 49.6 | Very low | 55.4 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | trans | -122.3 | 89.4 | -172.2 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | C1045 D1056 E1057 | C1045-C1060 WeakPolarHBondContact CA-SG 3.12Å; C1045-C1060 HydrophobicContact CB-CB 3.45Å; C1045-C1060 VanDerWaalsContact CB-CB 3.45Å; C1045-C1060 WeakPolarHBondContact CB-SG 3.22Å; C1045-C1060 WeakPolarHBondContact SG-CA 3.02Å; C1045-C1060 WeakPolarHBondContact SG-CB 3.14Å; C1045-C1060 CovalentContact SG-SG 2.03Å; C1045-C1060 PolarHBondContact SG-SG 3.16Å; D1056-C1060 PolarHBondContact O-SG 2.89Å; E1057-C1060 PolarHBondContact O-SG 3.33Å; E1057-C1060 VanDerWaalsContact O-SG 3.39Å | ||
| 1061 | P | 45.7 | Very low | 55.7 | Low | 113 Ų | 113 | 73 Ų | 73 | 73% | 0.734 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 158 | -167.2 | -16.8 | 33.6 | 0 | 0 | 0 | 114.7 | ||
| 1062 | P | 47.3 | Very low | 55.3 | Low | 132 Ų | 132 | 75.8 Ų | 75.8 | 86% | 0.857 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 154.4 | -162.6 | -15.7 | 32.7 | 0 | 0 | 0 | 115.4 | ||
| 1063 | R | 42.3 | Very low | 54.9 | Low | 227 Ų | 227 | 74.5 Ų | 74.5 | 86% | 0.857 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 116.2 | 173.9 | -68 | 173.5 | 172.6 | 149.4 | -2 | 111.9 | ||
| 1064 | C | 49.1 | Very low | 55.1 | Low | 61 Ų | 61 | 72.5 Ų | 72.5 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | -94.3 | 155.7 | 127.5 | -70.1 | 0 | 0 | 0 | 0 | 107.7 | C1076 | C1064-C1076 HydrophobicContact CB-CB 3.55Å; C1064-C1076 WeakPolarHBondContact CB-SG 3.47Å; C1064-C1076 WeakPolarHBondContact SG-CB 3.34Å; C1064-C1076 CovalentContact SG-SG 2.03Å; C1064-C1076 PolarHBondContact SG-SG 3.03Å | |
| 1065 | R | 50 | Low | 55.1 | Low | 171 Ų | 171 | 76.1 Ų | 76.1 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 164.1 | -175.3 | -57.5 | -178.8 | 163.8 | 81 | -0.8 | 111.8 | Q1068 | R1065-Q1068 HydrophobicContact CB-CG 4.13Å; R1065-Q1068 WeakPolarHBondContact O-CB 3.4Å; R1065-Q1068 WeakPolarHBondContact O-CG 3.47Å; R1065-Q1068 PolarHBondContact O-N 2.74Å |
| 1066 | P | 49.9 | Very low | 55.1 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 78% | 0.779 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -63.8 | 154.5 | 178.7 | -23.3 | 35.8 | 0 | 0 | 0 | 113.1 | Q1068 | P1066-Q1068 PolarHBondContact O-N 2.87Š|
| 1067 | G | 48.9 | Very low | 54.7 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 84.1 | -58.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y1069 E1078 Q1079 | G1067-Y1069 PolarHBondContact O-N 2.78Å; G1067-E1078 WeakPolarHBondContact O-CA 3.47Å; G1067-Q1079 PolarHBondContact O-NE2 2.98Å |
| 1068 | Q | 52.6 | Low | 54.1 | Low | 29 Ų | 29 | 74 Ų | 74 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 97.3 | -174.7 | -31.6 | -179 | -28.7 | 0 | 0 | 111.8 | R1065 P1066 C1076 E1078 Q1194 | R1065-Q1068 HydrophobicContact CB-CG 4.13Å; R1065-Q1068 WeakPolarHBondContact O-CB 3.4Å; R1065-Q1068 WeakPolarHBondContact O-CG 3.47Å; R1065-Q1068 PolarHBondContact O-N 2.74Å; P1066-Q1068 PolarHBondContact O-N 2.87Å; Q1068-C1076 HydrophobicContact CB-CB 4.06Å; Q1068-E1078 HydrophobicContact CG-CG 4.02Å; Q1068-Q1194 HydrophobicContact CB-CB 4.45Å; Q1068-Q1194 VanDerWaalsContact CD-OE1 3.27Å; Q1068-Q1194 HydrophobicContact CG-CB 3.69Å |
| 1069 | Y | 63.2 | Low | 54.8 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 21% | 0.212 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 151.4 | 179.3 | 111.3 | -80.1 | 0 | 0 | 0 | 109.2 | G1067 C1076 I1077 Q1079 R1082 P1180 G1181 | G1067-Y1069 PolarHBondContact O-N 2.78Å; Y1069-C1076 CarbonylContact O-C 3.09Å; Y1069-C1076 WeakPolarHBondContact O-CA 3.11Å; Y1069-I1077 WeakPolarHBondContact CD1-O 3.43Å; Y1069-I1077 PolarHBondContact N-O 2.83Å; Y1069-I1077 PolarHBondContact O-N 2.99Å; Y1069-Q1079 HydrophobicContact CD1-CG 3.73Å; Y1069-Q1079 HydrophobicContact CE1-CG 4.33Å; Y1069-Q1079 HydrophobicContact CG-CG 4.13Å; Y1069-R1082 HydrophobicContact CE1-CG 4.36Å; Y1069-R1082 PolarHBondContact OH-NE 2.98Å; Y1069-P1180 WeakPolarHBondContact CD2-O 3.29Å; Y1069-P1180 VanDerWaalsContact CE2-CA 3.44Å; Y1069-P1180 HydrophobicContact CE2-CB 4.06Å; Y1069-P1180 VanDerWaalsContact CE2-O 3.28Å; Y1069-P1180 WeakPolarHBondContact CE2-O 3.41Å; Y1069-G1181 CarbonylContact C-O 3.36Å; Y1069-G1181 WeakPolarHBondContact CD1-O 3.34Å; Y1069-G1181 VanDerWaalsContact CE1-CA 3.44Å; Y1069-G1181 CarbonylContact O-C 3.54Å; Y1069-G1181 VanDerWaalsContact O-CA 3.31Å; Y1069-G1181 WeakPolarHBondContact O-CA 3.41Å; Y1069-G1181 PolarHBondContact OH-N 2.78Å |
| 1070 | Q | 64.1 | Low | 55.4 | Low | 118 Ų | 118 | 75.8 Ų | 75.8 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.4 | -152.9 | -174.2 | 161.9 | 30.7 | 0 | 0 | 116.9 | P1180 G1181 | Q1070-P1180 PolarHBondContact N-O 3.26Å; Q1070-P1180 CarbonylContact O-C 3.56Å; Q1070-G1181 WeakPolarHBondContact O-CA 3.45Å; Q1070-G1181 PolarHBondContact O-N 3.45Å |
| 1071 | C | 61.8 | Low | 55.9 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 132.4 | 171 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | S1073 G1074 E1075 C1089 Q1182 | C1071-S1073 PolarHBondContact O-N 3.08Å; C1071-S1073 PolarHBondContact SG-N 2.74Å; C1071-S1073 PolarHBondContact SG-OG 2.03Å; C1071-G1074 PolarHBondContact O-N 3.02Å; C1071-E1075 WeakPolarHBondContact CA-O 3.22Å; C1071-E1075 VanDerWaalsContact CB-C 3.49Å; C1071-E1075 HydrophobicContact CB-CB 4.03Å; C1071-E1075 WeakPolarHBondContact CB-O 3.14Å; C1071-E1075 PolarHBondContact N-O 3.07Å; C1071-C1089 WeakPolarHBondContact CA-SG 3.23Å; C1071-C1089 HydrophobicContact CB-CB 4.23Å; C1071-C1089 WeakPolarHBondContact CB-SG 3.31Å; C1071-C1089 WeakPolarHBondContact SG-CA 3.49Å; C1071-C1089 WeakPolarHBondContact SG-CB 3.32Å; C1071-C1089 CovalentContact SG-SG 2.04Å; C1071-C1089 PolarHBondContact SG-SG 2.72Å; C1071-Q1182 VanDerWaalsContact CA-NE2 3.31Å; C1071-Q1182 VanDerWaalsContact CA-OE1 3.31Å; C1071-Q1182 VanDerWaalsContact N-NE2 3.18Å; C1071-Q1182 PolarHBondContact SG-OE1 2.03Å |
| 1072 | S | 60.2 | Low | 56.2 | Low | 59 Ų | 59 | 72.2 Ų | 72.2 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.9 | 168.3 | 55.9 | 0 | 0 | 0 | 0 | 115.7 | C1089 R1179 | S1072-C1089 PolarHBondContact N-SG 2.95Å; S1072-C1089 PolarHBondContact OG-SG 3.17Å; S1072-C1089 VanDerWaalsContact OG-SG 3.36Å; S1072-R1179 VanDerWaalsContact CB-CD 3.49Å; S1072-R1179 VanDerWaalsContact OG-CB 3.28Å; S1072-R1179 WeakPolarHBondContact OG-CB 3.11Å; S1072-R1179 WeakPolarHBondContact OG-CD 3.42Å; S1072-R1179 WeakPolarHBondContact OG-CG 3.28Å; S1072-R1179 PolarHBondContact OG-NH1 2.91Å |
| 1073 | S | 54.5 | Low | 57.3 | Low | 64 Ų | 64 | 67.8 Ų | 67.8 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 13.6 | 165.8 | 63 | 0 | 0 | 0 | 0 | 113.6 | C1071 C1089 | C1071-S1073 PolarHBondContact O-N 3.08Å; C1071-S1073 PolarHBondContact SG-N 2.74Å; C1071-S1073 PolarHBondContact SG-OG 2.03Å; S1073-C1089 PolarHBondContact N-SG 2.8Å; S1073-C1089 PolarHBondContact OG-O 3.21Å |
| 1074 | G | 61.8 | Low | 58 | Low | 48 Ų | 48 | 60.2 Ų | 60.2 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 114.3 | -21.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117 | C1071 | C1071-G1074 PolarHBondContact O-N 3.02Š|
| 1075 | E | 56 | Low | 58.6 | Low | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | trans | -78.2 | 178.9 | -179.6 | -42.1 | -166.7 | -141.1 | 0 | 0 | 111.3 | C1071 | C1071-E1075 WeakPolarHBondContact CA-O 3.22Å; C1071-E1075 VanDerWaalsContact CB-C 3.49Å; C1071-E1075 HydrophobicContact CB-CB 4.03Å; C1071-E1075 WeakPolarHBondContact CB-O 3.14Å; C1071-E1075 PolarHBondContact N-O 3.07Å | ||
| 1076 | C | 67.6 | Low | 58.6 | Low | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 124.6 | -171.3 | -75.7 | 0 | 0 | 0 | 0 | 116.2 | C1064 Q1068 Y1069 E1192 Q1194 | C1064-C1076 HydrophobicContact CB-CB 3.55Å; C1064-C1076 WeakPolarHBondContact CB-SG 3.47Å; C1064-C1076 WeakPolarHBondContact SG-CB 3.34Å; C1064-C1076 CovalentContact SG-SG 2.03Å; C1064-C1076 PolarHBondContact SG-SG 3.03Å; Q1068-C1076 HydrophobicContact CB-CB 4.06Å; Y1069-C1076 CarbonylContact O-C 3.09Å; Y1069-C1076 WeakPolarHBondContact O-CA 3.11Å; C1076-E1192 PolarHBondContact N-OE1 3.37Å; C1076-Q1194 WeakPolarHBondContact O-CG 3.34Å; C1076-Q1194 PolarHBondContact O-NE2 3.02Å |
| 1077 | I | 54.8 | Low | 59.2 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120 | -152 | -36.3 | -175.6 | 0 | 0 | 0 | 107.7 | Y1069 Q1079 G1181 I1191 E1192 Q1193 | Y1069-I1077 WeakPolarHBondContact CD1-O 3.43Å; Y1069-I1077 PolarHBondContact N-O 2.83Å; Y1069-I1077 PolarHBondContact O-N 2.99Å; I1077-Q1079 PolarHBondContact O-N 3.28Å; I1077-G1181 CarbonylContact C-O 3.51Å; I1077-G1181 WeakPolarHBondContact CA-O 3.41Å; I1077-G1181 WeakPolarHBondContact CB-O 3.29Å; I1077-G1181 PolarHBondContact N-O 2.87Å; I1077-I1191 WeakPolarHBondContact CD1-O 3.39Å; I1077-E1192 WeakPolarHBondContact CA-O 3.11Å; I1077-E1192 WeakPolarHBondContact CB-O 3.4Å; I1077-Q1193 VanDerWaalsContact C-CD 3.47Å; I1077-Q1193 VanDerWaalsContact CA-OE1 3.28Å; I1077-Q1193 HydrophobicContact CB-CB 3.87Å; I1077-Q1193 HydrophobicContact CB-CG 4.38Å; I1077-Q1193 HydrophobicContact CG2-CB 3.41Å; I1077-Q1193 VanDerWaalsContact CG2-CB 3.41Å; I1077-Q1193 HydrophobicContact CG2-CG 3.62Å; I1077-Q1193 PolarHBondContact O-OE1 3.08Å |
| 1078 | E | 56.4 | Low | 59.5 | Low | 31 Ų | 31 | 51.4 Ų | 51.4 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 84.4 | 173.9 | -53.9 | -169.6 | 173.2 | 0 | 0 | 120 | G1067 Q1068 Q1080 Q1193 Q1194 R1217 | G1067-E1078 WeakPolarHBondContact O-CA 3.47Å; Q1068-E1078 HydrophobicContact CG-CG 4.02Å; E1078-Q1080 WeakPolarHBondContact O-CG 3.45Å; E1078-Q1080 PolarHBondContact O-N 2.04Å; E1078-Q1193 VanDerWaalsContact C-CG 3.43Å; E1078-Q1193 VanDerWaalsContact CA-CB 3.47Å; E1078-Q1193 HydrophobicContact CB-CB 3.85Å; E1078-Q1193 HydrophobicContact CB-CG 4.49Å; E1078-Q1193 WeakPolarHBondContact O-CG 3.09Å; E1078-Q1193 PolarHBondContact O-NE2 3.35Å; E1078-Q1193 VanDerWaalsContact O-NE2 3.12Å; E1078-Q1194 HydrophobicContact CG-CB 4.33Å; E1078-R1217 IonicContact OE1-CZ 2.69Å; E1078-R1217 IonicContact OE1-NH1 3.29Å; E1078-R1217 IonicContact OE1-NH2 2.63Å; E1078-R1217 PolarHBondContact OE1-NH2 3Å; E1078-R1217 IonicContact OE2-CZ 3.15Å; E1078-R1217 IonicContact OE2-NH2 2.7Å; E1078-R1217 PolarHBondContact OE2-NH2 2.97Å |
| 1079 | Q | 66 | Low | 60.2 | Low | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 42.3 | -15.2 | 155.3 | -64.9 | 174.4 | 30.9 | 0 | 0 | 126.3 | G1067 Y1069 I1077 | G1067-Q1079 PolarHBondContact O-NE2 2.98Å; Y1069-Q1079 HydrophobicContact CD1-CG 3.73Å; Y1069-Q1079 HydrophobicContact CE1-CG 4.33Å; Y1069-Q1079 HydrophobicContact CG-CG 4.13Å; I1077-Q1079 PolarHBondContact O-N 3.28Å |
| 1080 | Q | 62.4 | Low | 60.1 | Low | 51 Ų | 51 | 58 Ų | 58 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -97.1 | -6.9 | -158.9 | -8.8 | -174.5 | 17.8 | 0 | 0 | 123.1 | E1078 Y1183 R1196 | E1078-Q1080 WeakPolarHBondContact O-CG 3.45Å; E1078-Q1080 PolarHBondContact O-N 2.04Å; Q1080-Y1183 VanDerWaalsContact C-CD2 3.45Å; Q1080-Y1183 HydrophobicContact CB-CD2 4.04Å; Q1080-Y1183 HydrophobicContact CB-CE2 3.97Å; Q1080-Y1183 HydrophobicContact CG-CD2 4.48Å; Q1080-Y1183 HydrophobicContact CG-CE2 4.48Å; Q1080-R1196 VanDerWaalsContact CB-NH1 3.26Å |
| 1081 | M | 58.5 | Low | 59.9 | Low | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | trans | -141.4 | 26.7 | 176.4 | 101.2 | -173.2 | 154.7 | 0 | 0 | 112.8 | C1083 D1084 R1086 Y1183 Q1184 S1207 | M1081-C1083 PolarHBondContact O-N 3.44Å; M1081-C1083 VanDerWaalsContact O-N 3.14Å; M1081-D1084 HydrophobicContact CB-CB 3.96Å; M1081-D1084 HydrophobicContact CG-CB 4.39Å; M1081-D1084 VanDerWaalsContact CG-OD1 3.27Å; M1081-D1084 WeakPolarHBondContact CG-OD1 3.27Å; M1081-D1084 VanDerWaalsContact SD-OD1 3.38Å; M1081-R1086 PolarHBondContact SD-NH2 3.29Å; M1081-Y1183 HydrophobicContact CB-CD2 3.38Å; M1081-Y1183 HydrophobicContact CB-CE2 3.28Å; M1081-Y1183 HydrophobicContact CB-CG 3.82Å; M1081-Y1183 HydrophobicContact CE-CD1 3.68Å; M1081-Y1183 HydrophobicContact CE-CE1 3Å; M1081-Y1183 HydrophobicContact CE-CE2 4.12Å; M1081-Y1183 HydrophobicContact CE-CG 4.38Å; M1081-Y1183 WeakPolarHBondContact CE-OH 3.37Å; M1081-Y1183 HydrophobicContact CG-CD1 3.74Å; M1081-Y1183 HydrophobicContact CG-CD2 3.45Å; M1081-Y1183 VanDerWaalsContact CG-CD2 3.45Å; M1081-Y1183 HydrophobicContact CG-CE1 3.8Å; M1081-Y1183 HydrophobicContact CG-CE2 3.36Å; M1081-Y1183 HydrophobicContact CG-CG 3.37Å; M1081-Y1183 VanDerWaalsContact CG-CZ 3.46Å; M1081-Y1183 HydrophobicContact SD-CD1 4.25Å; M1081-Y1183 HydrophobicContact SD-CD2 4.32Å; M1081-Y1183 HydrophobicContact SD-CE1 3.69Å; M1081-Y1183 HydrophobicContact SD-CE2 3.64Å; M1081-Y1183 HydrophobicContact SD-CG 4.39Å; M1081-Y1183 PolarHBondContact SD-OH 3.5Å; M1081-Q1184 WeakPolarHBondContact CE-O 3.28Å; M1081-Q1184 WeakPolarHBondContact CG-O 3.49Å; M1081-Q1184 VanDerWaalsContact SD-O 3.38Å; M1081-S1207 WeakPolarHBondContact CE-O 3.27Å | ||
| 1082 | R | 53.8 | Low | 59.6 | Low | 82 Ų | 82 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | -32.3 | 108 | 124.3 | -99 | -113 | 159.4 | -134.5 | -16.6 | 109.5 | Y1069 D1094 T1096 | Y1069-R1082 HydrophobicContact CE1-CG 4.36Å; Y1069-R1082 PolarHBondContact OH-NE 2.98Å; R1082-D1094 WeakPolarHBondContact CA-O 3.46Å; R1082-D1094 WeakPolarHBondContact CA-OD1 2.94Å; R1082-D1094 WeakPolarHBondContact CD-O 2.99Å; R1082-D1094 WeakPolarHBondContact CG-O 3.41Å; R1082-D1094 PolarHBondContact N-OD1 2.86Å; R1082-D1094 PolarHBondContact NE-O 3.13Å; R1082-D1094 PolarHBondContact NH1-O 2.81Å; R1082-T1096 PolarHBondContact NH1-O 3.2Å; R1082-T1096 PolarHBondContact NH1-OG1 2.91Å; R1082-T1096 PolarHBondContact NH2-OG1 3.02Å | |
| 1083 | C | 68.4 | Low | 59.9 | Low | 39 Ų | 39 | 52.8 Ų | 52.8 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 45.9 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 118 | M1081 E1095 C1098 | M1081-C1083 PolarHBondContact O-N 3.44Å; M1081-C1083 VanDerWaalsContact O-N 3.14Å; C1083-E1095 VanDerWaalsContact CA-CD 3.45Å; C1083-E1095 WeakPolarHBondContact CA-OE1 3.43Å; C1083-E1095 PolarHBondContact N-OE1 3.45Å; C1083-E1095 PolarHBondContact SG-O 2.83Å; C1083-E1095 VanDerWaalsContact SG-O 3.39Å; C1083-C1098 HydrophobicContact CB-CB 3.69Å; C1083-C1098 WeakPolarHBondContact CB-SG 3.04Å; C1083-C1098 WeakPolarHBondContact SG-CB 3.41Å; C1083-C1098 CovalentContact SG-SG 2.05Å; C1083-C1098 PolarHBondContact SG-SG 2.9Å |
| 1084 | D | 58 | Low | 60.2 | Low | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -113.1 | 9.4 | 166.2 | 106.9 | -40.8 | 0 | 0 | 0 | 116.4 | M1081 R1086 E1095 | M1081-D1084 HydrophobicContact CB-CB 3.96Å; M1081-D1084 HydrophobicContact CG-CB 4.39Å; M1081-D1084 VanDerWaalsContact CG-OD1 3.27Å; M1081-D1084 WeakPolarHBondContact CG-OD1 3.27Å; M1081-D1084 VanDerWaalsContact SD-OD1 3.38Å; D1084-R1086 PolarHBondContact O-NH1 2.72Å; D1084-R1086 IonicContact OD1-CZ 2.69Å; D1084-R1086 IonicContact OD1-NE 2.82Å; D1084-R1086 PolarHBondContact OD1-NE 2.82Å; D1084-R1086 IonicContact OD1-NH1 3.21Å; D1084-R1086 PolarHBondContact OD1-NH1 3.18Å; D1084-R1086 IonicContact OD1-NH2 3.44Å; D1084-R1086 PolarHBondContact OD1-NH2 2.78Å; D1084-R1086 IonicContact OD2-CZ 3.18Å; D1084-R1086 IonicContact OD2-NH1 2.9Å; D1084-R1086 PolarHBondContact OD2-NH1 2.86Å; D1084-R1086 IonicContact OD2-NH2 2.65Å; D1084-R1086 PolarHBondContact OD2-NH2 2.89Å; D1084-E1095 PolarHBondContact N-OE1 3.3Å |
| 1085 | G | 61.6 | Low | 60.3 | Low | 62 Ų | 62 | 48.2 Ų | 48.2 | 64% | 0.639 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 124 | 10 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1095 | G1085-E1095 WeakPolarHBondContact CA-OE2 3.31Å; G1085-E1095 PolarHBondContact N-OE1 3.1Å; G1085-E1095 PolarHBondContact N-OE2 3.18Å |
| 1086 | R | 50.6 | Low | 60 | Low | 50 Ų | 50 | 46.3 Ų | 46.3 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | trans | -156.4 | 157.5 | -140.1 | -69.3 | -152.7 | -49.3 | -92.8 | 7.9 | 112.7 | M1081 D1084 E1095 P1176 Q1184 C1185 S1186 | M1081-R1086 PolarHBondContact SD-NH2 3.29Å; D1084-R1086 PolarHBondContact O-NH1 2.72Å; D1084-R1086 IonicContact OD1-CZ 2.69Å; D1084-R1086 IonicContact OD1-NE 2.82Å; D1084-R1086 PolarHBondContact OD1-NE 2.82Å; D1084-R1086 IonicContact OD1-NH1 3.21Å; D1084-R1086 PolarHBondContact OD1-NH1 3.18Å; D1084-R1086 IonicContact OD1-NH2 3.44Å; D1084-R1086 PolarHBondContact OD1-NH2 2.78Å; D1084-R1086 IonicContact OD2-CZ 3.18Å; D1084-R1086 IonicContact OD2-NH1 2.9Å; D1084-R1086 PolarHBondContact OD2-NH1 2.86Å; D1084-R1086 IonicContact OD2-NH2 2.65Å; D1084-R1086 PolarHBondContact OD2-NH2 2.89Å; R1086-E1095 PolarHBondContact N-OE1 3.34Å; R1086-E1095 PolarHBondContact N-OE2 3.49Å; R1086-E1095 WeakPolarHBondContact O-CG 3.5Å; R1086-P1176 WeakPolarHBondContact O-CG 3.36Å; R1086-Q1184 HydrophobicContact CB-CB 3.46Å; R1086-Q1184 VanDerWaalsContact CB-CB 3.46Å; R1086-Q1184 HydrophobicContact CB-CG 3.6Å; R1086-Q1184 PolarHBondContact NE-O 3.18Å; R1086-Q1184 PolarHBondContact NH2-O 3.25Å; R1086-C1185 VanDerWaalsContact NE-C 3.32Å; R1086-C1185 PolarHBondContact NE-O 3.06Å; R1086-C1185 VanDerWaalsContact NE-O 3.16Å; R1086-S1186 VanDerWaalsContact NE-CA 3.32Å | ||
| 1087 | Q | 62.5 | Low | 59.2 | Low | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | trans | -121.5 | 116.5 | -164.1 | 74.9 | 179 | 16.1 | 0 | 0 | 124.3 | A1092 P1176 C1178 Q1184 C1190 | Q1087-A1092 CarbonylContact C-O 3.55Å; Q1087-A1092 WeakPolarHBondContact CA-O 3.34Å; Q1087-A1092 HydrophobicContact CB-CB 3.77Å; Q1087-A1092 WeakPolarHBondContact CB-O 3.01Å; Q1087-A1092 HydrophobicContact CG-CB 4.28Å; Q1087-P1176 HydrophobicContact CB-CB 3.46Å; Q1087-P1176 VanDerWaalsContact CB-CB 3.46Å; Q1087-P1176 HydrophobicContact CB-CG 3.55Å; Q1087-C1178 PolarHBondContact O-SG 3.41Å; Q1087-Q1184 VanDerWaalsContact C-CB 3.46Å; Q1087-Q1184 VanDerWaalsContact N-NE2 3.13Å; Q1087-Q1184 PolarHBondContact O-NE2 2.83Å; Q1087-C1190 PolarHBondContact O-SG 3Å | ||
| 1088 | D | 55.6 | Low | 58.9 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -133.1 | 80.5 | -169.6 | -144.9 | 85.3 | 0 | 0 | 0 | 128.3 | A1092 D1094 C1178 Q1182 Y1183 Q1184 C1190 I1191 | D1088-A1092 PolarHBondContact N-O 3.19Å; D1088-D1094 WeakPolarHBondContact CB-OD2 3.11Å; D1088-D1094 PolarHBondContact N-OD2 3.38Å; D1088-C1178 WeakPolarHBondContact CA-SG 3.5Å; D1088-C1178 PolarHBondContact N-SG 2.92Å; D1088-Q1182 HydrophobicContact CB-CB 4.31Å; D1088-Q1182 WeakPolarHBondContact O-CB 3.33Å; D1088-Q1182 WeakPolarHBondContact O-CG 3.02Å; D1088-Q1182 PolarHBondContact O-OE1 3.42Å; D1088-Y1183 WeakPolarHBondContact CB-O 3.34Å; D1088-Y1183 VanDerWaalsContact CG-C 3.44Å; D1088-Q1184 HydrophobicContact CB-CB 3.98Å; D1088-C1190 VanDerWaalsContact C-CB 3.44Å; D1088-C1190 VanDerWaalsContact CA-CB 3.45Å; D1088-C1190 VanDerWaalsContact CA-SG 3.52Å; D1088-C1190 HydrophobicContact CB-CB 4.47Å; D1088-C1190 VanDerWaalsContact OD1-CA 3.24Å; D1088-C1190 WeakPolarHBondContact OD1-CA 3.12Å; D1088-I1191 VanDerWaalsContact OD1-CG1 3.28Å; D1088-I1191 WeakPolarHBondContact OD1-CG1 3.48Å; D1088-I1191 PolarHBondContact OD1-N 3.46Å; D1088-I1191 WeakPolarHBondContact OD2-CA 3.36Å; D1088-I1191 PolarHBondContact OD2-N 3.16Å | ||
| 1089 | C | 66.3 | Low | 58 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 179.5 | 24.4 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 113.5 | C1071 S1072 S1073 D1091 C1178 Q1182 C1190 | C1071-C1089 WeakPolarHBondContact CA-SG 3.23Å; C1071-C1089 HydrophobicContact CB-CB 4.23Å; C1071-C1089 WeakPolarHBondContact CB-SG 3.31Å; C1071-C1089 WeakPolarHBondContact SG-CA 3.49Å; C1071-C1089 WeakPolarHBondContact SG-CB 3.32Å; C1071-C1089 CovalentContact SG-SG 2.04Å; C1071-C1089 PolarHBondContact SG-SG 2.72Å; S1072-C1089 PolarHBondContact N-SG 2.95Å; S1072-C1089 PolarHBondContact OG-SG 3.17Å; S1072-C1089 VanDerWaalsContact OG-SG 3.36Å; S1073-C1089 PolarHBondContact N-SG 2.8Å; S1073-C1089 PolarHBondContact OG-O 3.21Å; C1089-D1091 PolarHBondContact O-N 3.22Å; C1089-C1178 VanDerWaalsContact CA-CB 3.48Å; C1089-C1178 VanDerWaalsContact CB-C 3.48Å; C1089-C1178 VanDerWaalsContact CB-CA 3.48Å; C1089-C1178 HydrophobicContact CB-CB 3.17Å; C1089-C1178 PolarHBondContact N-SG 2.91Å; C1089-Q1182 HydrophobicContact CB-CG 3.74Å; C1089-Q1182 PolarHBondContact SG-OE1 3.11Å; C1089-C1190 PolarHBondContact N-SG 3.44Å |
| 1090 | R | 62 | Low | 57.2 | Low | 216 Ų | 216 | 58.4 Ų | 58.4 | 82% | 0.815 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 63.4 | 12.1 | -164 | -136.8 | 165.8 | 177.1 | 145 | -0 | 120 | C1190 | R1090-C1190 WeakPolarHBondContact CA-SG 3.02Å; R1090-C1190 PolarHBondContact N-SG 2.69Å |
| 1091 | D | 59 | Low | 56.3 | Low | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -142.9 | -10.3 | -165.8 | 173.7 | -50 | 0 | 0 | 0 | 117.1 | C1089 R1177 C1178 R1179 | C1089-D1091 PolarHBondContact O-N 3.22Å; D1091-R1177 CarbonylContact O-C 3.57Å; D1091-R1177 VanDerWaalsContact O-CB 3.27Å; D1091-R1177 WeakPolarHBondContact O-CB 3.44Å; D1091-R1177 VanDerWaalsContact OD1-CD 3.23Å; D1091-R1177 WeakPolarHBondContact OD1-CD 3.28Å; D1091-R1177 WeakPolarHBondContact OD1-CG 3.33Å; D1091-C1178 HydrophobicContact CB-CB 4.45Å; D1091-C1178 PolarHBondContact N-SG 3.39Å; D1091-C1178 PolarHBondContact O-N 2.88Å; D1091-C1178 PolarHBondContact OD1-N 2.82Å; D1091-R1179 IonicContact OD1-CZ 2.73Å; D1091-R1179 IonicContact OD1-NH1 2.79Å; D1091-R1179 IonicContact OD1-NH2 3.79Å; D1091-R1179 PolarHBondContact OD1-NH2 2.93Å; D1091-R1179 IonicContact OD2-CZ 3.58Å; D1091-R1179 VanDerWaalsContact OD2-CZ 3.25Å; D1091-R1179 IonicContact OD2-NH1 2.81Å; D1091-R1179 PolarHBondContact OD2-NH1 2.79Å; D1091-R1179 IonicContact OD2-NH2 3.71Å; D1091-R1179 PolarHBondContact OD2-NH2 3.08Å |
| 1092 | A | 55.1 | Low | 55.9 | Low | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | trans | 117.6 | 0 | -168.1 | 0 | 0 | 0 | 0 | 0 | 126.7 | Q1087 D1088 D1094 P1176 R1177 C1178 | Q1087-A1092 CarbonylContact C-O 3.55Å; Q1087-A1092 WeakPolarHBondContact CA-O 3.34Å; Q1087-A1092 HydrophobicContact CB-CB 3.77Å; Q1087-A1092 WeakPolarHBondContact CB-O 3.01Å; Q1087-A1092 HydrophobicContact CG-CB 4.28Å; D1088-A1092 PolarHBondContact N-O 3.19Å; A1092-D1094 WeakPolarHBondContact O-CB 3.43Å; A1092-P1176 VanDerWaalsContact CB-CA 3.44Å; A1092-P1176 HydrophobicContact CB-CB 3.63Å; A1092-P1176 WeakPolarHBondContact O-CB 3.21Å; A1092-R1177 VanDerWaalsContact C-CA 3.47Å; A1092-R1177 VanDerWaalsContact CA-C 3.43Å; A1092-R1177 VanDerWaalsContact CA-CA 3.4Å; A1092-R1177 HydrophobicContact CB-CB 3.98Å; A1092-C1178 VanDerWaalsContact CA-CB 3.4Å; A1092-C1178 WeakPolarHBondContact CA-SG 3.46Å; A1092-C1178 PolarHBondContact N-SG 2.81Å; A1092-C1178 WeakPolarHBondContact O-CB 3.45Å; A1092-C1178 PolarHBondContact O-SG 2.95Å | ||
| 1093 | S | 67.3 | Low | 55.7 | Low | 13 Ų | 13 | 75.2 Ų | 75.2 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | 0 | -52.6 | 0 | -143.1 | 0 | 0 | 0 | 0 | 110.4 | E1095 T1096 P1176 R1177 C1178 | S1093-E1095 PolarHBondContact O-N 2.88Å; S1093-T1096 WeakPolarHBondContact O-CB 3.38Å; S1093-T1096 WeakPolarHBondContact O-CG2 3.31Å; S1093-T1096 PolarHBondContact O-N 3.4Å; S1093-T1096 PolarHBondContact O-OG1 3.41Å; S1093-P1176 CarbonylContact C-O 3.48Å; S1093-P1176 WeakPolarHBondContact CA-O 3.48Å; S1093-P1176 PolarHBondContact N-O 2.77Å; S1093-R1177 VanDerWaalsContact CB-CA 3.47Å; S1093-R1177 WeakPolarHBondContact CB-O 3.42Å; S1093-R1177 VanDerWaalsContact N-CA 3.29Å; S1093-R1177 WeakPolarHBondContact OG-CA 3.33Å; S1093-R1177 PolarHBondContact OG-O 2.97Å; S1093-C1178 CarbonylContact C-O 3.51Å; S1093-C1178 WeakPolarHBondContact CA-O 3.34Å; S1093-C1178 VanDerWaalsContact CB-N 3.28Å; S1093-C1178 WeakPolarHBondContact CB-O 3.43Å; S1093-C1178 PolarHBondContact N-O 2.83Å | |||
| 1094 | D | 59.8 | Low | 54.6 | Low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 31.6 | -72.7 | 133.3 | -155.2 | -13.9 | 0 | 0 | 0 | 114 | R1082 D1088 A1092 T1096 C1178 Q1182 Y1183 Q1184 | R1082-D1094 WeakPolarHBondContact CA-O 3.46Å; R1082-D1094 WeakPolarHBondContact CA-OD1 2.94Å; R1082-D1094 WeakPolarHBondContact CD-O 2.99Å; R1082-D1094 WeakPolarHBondContact CG-O 3.41Å; R1082-D1094 PolarHBondContact N-OD1 2.86Å; R1082-D1094 PolarHBondContact NE-O 3.13Å; R1082-D1094 PolarHBondContact NH1-O 2.81Å; D1088-D1094 WeakPolarHBondContact CB-OD2 3.11Å; D1088-D1094 PolarHBondContact N-OD2 3.38Å; A1092-D1094 WeakPolarHBondContact O-CB 3.43Å; D1094-T1096 PolarHBondContact O-N 3.48Å; D1094-C1178 PolarHBondContact N-O 3.33Å; D1094-Q1182 HydrophobicContact CB-CB 4.17Å; D1094-Q1182 VanDerWaalsContact OD1-C 3.23Å; D1094-Q1182 VanDerWaalsContact OD1-O 3.07Å; D1094-Y1183 VanDerWaalsContact CG-N 3.26Å; D1094-Y1183 WeakPolarHBondContact OD1-CA 3.46Å; D1094-Y1183 PolarHBondContact OD1-N 3.22Å; D1094-Y1183 WeakPolarHBondContact OD2-CA 3.1Å; D1094-Y1183 PolarHBondContact OD2-N 3.07Å; D1094-Q1184 PolarHBondContact OD2-N 2.84Å |
| 1095 | E | 65 | Low | 54.1 | Low | 17 Ų | 17 | 77.3 Ų | 77.3 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10.8 | -171.2 | -44.3 | -142.1 | 144.2 | 0 | 0 | 116.8 | C1083 D1084 G1085 R1086 S1093 G1097 P1175 P1176 | C1083-E1095 VanDerWaalsContact CA-CD 3.45Å; C1083-E1095 WeakPolarHBondContact CA-OE1 3.43Å; C1083-E1095 PolarHBondContact N-OE1 3.45Å; C1083-E1095 PolarHBondContact SG-O 2.83Å; C1083-E1095 VanDerWaalsContact SG-O 3.39Å; D1084-E1095 PolarHBondContact N-OE1 3.3Å; G1085-E1095 WeakPolarHBondContact CA-OE2 3.31Å; G1085-E1095 PolarHBondContact N-OE1 3.1Å; G1085-E1095 PolarHBondContact N-OE2 3.18Å; R1086-E1095 PolarHBondContact N-OE1 3.34Å; R1086-E1095 PolarHBondContact N-OE2 3.49Å; R1086-E1095 WeakPolarHBondContact O-CG 3.5Å; S1093-E1095 PolarHBondContact O-N 2.88Å; E1095-G1097 VanDerWaalsContact C-N 3.28Å; E1095-G1097 PolarHBondContact O-N 2.82Å; E1095-P1175 HydrophobicContact CB-CB 4.13Å; E1095-P1175 WeakPolarHBondContact O-CB 3.37Å; E1095-P1176 HydrophobicContact CB-CB 4.46Å; E1095-P1176 HydrophobicContact CB-CG 4.34Å; E1095-P1176 HydrophobicContact CG-CB 4.19Å; E1095-P1176 HydrophobicContact CG-CG 3.97Å |
| 1096 | T | 48.6 | Very low | 54 | Low | 64 Ų | 64 | 75.4 Ų | 75.4 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | trans | -60.4 | 85 | 179.2 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | R1082 S1093 D1094 P1175 P1176 | R1082-T1096 PolarHBondContact NH1-O 3.2Å; R1082-T1096 PolarHBondContact NH1-OG1 2.91Å; R1082-T1096 PolarHBondContact NH2-OG1 3.02Å; S1093-T1096 WeakPolarHBondContact O-CB 3.38Å; S1093-T1096 WeakPolarHBondContact O-CG2 3.31Å; S1093-T1096 PolarHBondContact O-N 3.4Å; S1093-T1096 PolarHBondContact O-OG1 3.41Å; D1094-T1096 PolarHBondContact O-N 3.48Å; T1096-P1175 HydrophobicContact CG2-CB 4.39Å; T1096-P1175 HydrophobicContact CG2-CG 4.32Å; T1096-P1176 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1097 | G | 51 | Low | 54.6 | Low | 63 Ų | 63 | 75.5 Ų | 75.5 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | trans | 126 | 75.3 | 158 | 0 | 0 | 0 | 0 | 0 | 117.8 | E1095 | E1095-G1097 VanDerWaalsContact C-N 3.28Å; E1095-G1097 PolarHBondContact O-N 2.82Å | ||
| 1098 | C | 48.7 | Very low | 54.7 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | trans | -139.7 | 153.5 | 173.3 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | C1083 | C1083-C1098 HydrophobicContact CB-CB 3.69Å; C1083-C1098 WeakPolarHBondContact CB-SG 3.04Å; C1083-C1098 WeakPolarHBondContact SG-CB 3.41Å; C1083-C1098 CovalentContact SG-SG 2.05Å; C1083-C1098 PolarHBondContact SG-SG 2.9Å | ||
| 1099 | P | 38.9 | Very low | 55.1 | Low | 126 Ų | 126 | 78.7 Ų | 78.7 | 82% | 0.818 | 43% | 0.428 | S | S | * | . | trans | -130.5 | 146.8 | -151.8 | 32.4 | -11.9 | 0 | 0 | 0 | 119.9 | ||||
| 1100 | P | 48 | Very low | 54.8 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 90% | 0.903 | 46% | 0.46 | S | S | * | . | trans | -118.7 | -150.3 | 178.3 | 42.7 | -32.9 | 0 | 0 | 0 | 117.2 | ||||
| 1101 | R | 44.8 | Very low | 54.4 | Low | 239 Ų | 239 | 75.2 Ų | 75.2 | 90% | 0.902 | 44% | 0.437 | S | S | * | . | trans | -133.9 | -167.1 | -151 | -134.9 | -179.9 | -169 | 172.4 | 4.9 | 117.2 | ||||
| 1102 | C | 49.9 | Very low | 54.1 | Low | 108 Ų | 108 | 75.3 Ų | 75.3 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 74.2 | 159.5 | -161.2 | -79.2 | 0 | 0 | 0 | 0 | 114 | P1104 | C1102-P1104 WeakPolarHBondContact O-CD 3.36Š|
| 1103 | R | 48.1 | Very low | 53.8 | Low | 142 Ų | 142 | 80.9 Ų | 80.9 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -78 | 93.6 | 166.7 | -79.9 | -170.4 | 171.8 | 96.3 | -6.9 | 106.2 | G1105 G1616 E1628 | R1103-G1105 PolarHBondContact O-N 2.96Å; R1103-G1616 VanDerWaalsContact CZ-CA 3.49Å; R1103-E1628 IonicContact CZ-OE2 2.98Å; R1103-E1628 IonicContact NE-OE2 3.25Å; R1103-E1628 PolarHBondContact NE-OE2 2.84Å; R1103-E1628 IonicContact NH2-OE2 3.31Å; R1103-E1628 PolarHBondContact NH2-OE2 3.04Å |
| 1104 | P | 45.9 | Very low | 53.4 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 75% | 0.747 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 102.8 | -136.1 | 32.8 | -29.4 | 0 | 0 | 0 | 111.4 | C1102 | C1102-P1104 WeakPolarHBondContact O-CD 3.36Š|
| 1105 | G | 48.5 | Very low | 53.2 | Low | 35 Ų | 35 | 84.2 Ų | 84.2 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 165.5 | -14.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | R1103 Q1117 | R1103-G1105 PolarHBondContact O-N 2.96Å; G1105-Q1117 VanDerWaalsContact C-CD 3.41Å; G1105-Q1117 WeakPolarHBondContact O-CB 3Å; G1105-Q1117 VanDerWaalsContact O-CG 3.3Å; G1105-Q1117 WeakPolarHBondContact O-CG 3.26Å; G1105-Q1117 PolarHBondContact O-N 3.29Å |
| 1106 | Q | 58.1 | Low | 52.6 | Low | 23 Ų | 23 | 86 Ų | 86 | 11% | 0.107 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 159.6 | 172.2 | -51.3 | -153 | 4.1 | 0 | 0 | 111.8 | I1115 E1116 Q1117 E1589 H1615 | Q1106-I1115 CarbonylContact C-O 3.46Å; Q1106-I1115 WeakPolarHBondContact CA-O 3.39Å; Q1106-I1115 WeakPolarHBondContact CB-O 3.5Å; Q1106-E1116 HydrophobicContact CG-CB 4.47Å; Q1106-E1116 HydrophobicContact CG-CG 3.98Å; Q1106-Q1117 PolarHBondContact O-NE2 2.82Å; Q1106-E1589 PolarHBondContact NE2-OE1 3.3Å; Q1106-E1589 VanDerWaalsContact NE2-OE1 3.07Å; Q1106-E1589 PolarHBondContact NE2-OE2 3.41Å; Q1106-H1615 WeakPolarHBondContact CB-NE2 3.32Å; Q1106-H1615 WeakPolarHBondContact CG-CE1 3.43Å; Q1106-H1615 WeakPolarHBondContact CG-NE2 3.44Å; Q1106-H1615 PolarHBondContact NE2-CE1 2.82Å; Q1106-H1615 PolarHBondContact NE2-NE2 3.15Å; Q1106-H1615 VanDerWaalsContact NE2-NE2 3.16Å; Q1106-H1615 PolarHBondContact OE1-NE2 2.91Å |
| 1107 | Y | 63.1 | Low | 53 | Low | 52 Ų | 52 | 87.4 Ų | 87.4 | 20% | 0.204 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.2 | -176.8 | 164.1 | -97.5 | 0 | 0 | 0 | 110.6 | C1109 C1114 I1115 R1120 S1131 | Y1107-C1109 HydrophobicContact CE1-CB 4.42Å; Y1107-C1114 CarbonylContact O-C 3.54Å; Y1107-C1114 VanDerWaalsContact O-CA 3.29Å; Y1107-C1114 WeakPolarHBondContact O-CA 2.98Å; Y1107-I1115 HydrophobicContact CD1-CG1 4.28Å; Y1107-I1115 PolarHBondContact N-O 2.03Å; Y1107-I1115 PolarHBondContact O-N 2.84Å; Y1107-R1120 HydrophobicContact CD1-CB 3.75Å; Y1107-R1120 VanDerWaalsContact CD1-CD 3.47Å; Y1107-R1120 HydrophobicContact CD1-CG 3.35Å; Y1107-R1120 HydrophobicContact CE1-CB 4.46Å; Y1107-R1120 HydrophobicContact CE1-CG 3.62Å; Y1107-R1120 VanDerWaalsContact CE1-NE 3.32Å; Y1107-R1120 VanDerWaalsContact CE2-CZ 3.48Å; Y1107-R1120 HydrophobicContact CG-CB 4.11Å; Y1107-R1120 VanDerWaalsContact CG-CD 3.42Å; Y1107-R1120 HydrophobicContact CG-CG 3.82Å; Y1107-R1120 PolarHBondContact OH-NH2 2.68Å; Y1107-S1131 VanDerWaalsContact CE1-O 3.29Å; Y1107-S1131 WeakPolarHBondContact CE1-O 3.43Å; Y1107-S1131 PolarHBondContact OH-O 2.75Å |
| 1108 | Q | 65 | Low | 53.4 | Low | 143 Ų | 143 | 90.9 Ų | 90.9 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.1 | -178 | -178.3 | 175.5 | 7.2 | 0 | 0 | 111.3 | ||
| 1109 | C | 63.3 | Low | 53.9 | Low | 5 Ų | 5 | 91 Ų | 91 | 3% | 0.034 | 50% | 0.5 | C | S | . | . | trans | -77.2 | 141.2 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | Y1107 S1111 G1112 E1113 C1127 | Y1107-C1109 HydrophobicContact CE1-CB 4.42Å; C1109-S1111 VanDerWaalsContact C-N 3.25Å; C1109-S1111 PolarHBondContact O-N 3.21Å; C1109-G1112 PolarHBondContact O-N 3.16Å; C1109-E1113 HydrophobicContact CB-CB 4.31Å; C1109-E1113 WeakPolarHBondContact CB-O 2.96Å; C1109-E1113 PolarHBondContact N-O 2.89Å; C1109-E1113 PolarHBondContact SG-O 2.86Å; C1109-C1127 HydrophobicContact CB-CB 4.13Å; C1109-C1127 WeakPolarHBondContact CB-SG 3.26Å | ||
| 1110 | S | 61 | Low | 54.3 | Low | 101 Ų | 101 | 88.5 Ų | 88.5 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.2 | 174.6 | 32.8 | 0 | 0 | 0 | 0 | 116.7 | S1131 | S1110-S1131 WeakPolarHBondContact CB-OG 3.19Å; S1110-S1131 VanDerWaalsContact N-CB 3.25Å; S1110-S1131 PolarHBondContact N-OG 3.46Å; S1110-S1131 WeakPolarHBondContact OG-CB 3.48Å; S1110-S1131 PolarHBondContact OG-OG 2.93Å |
| 1111 | S | 54.6 | Low | 54.9 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 26.1 | 162.3 | 77.9 | 0 | 0 | 0 | 0 | 115.1 | C1109 C1127 D1129 S1131 | C1109-S1111 VanDerWaalsContact C-N 3.25Å; C1109-S1111 PolarHBondContact O-N 3.21Å; S1111-C1127 PolarHBondContact OG-SG 3.37Å; S1111-D1129 PolarHBondContact OG-N 2.98Å; S1111-S1131 PolarHBondContact N-OG 2.93Å; S1111-S1131 VanDerWaalsContact N-OG 3.07Å |
| 1112 | G | 51.8 | Low | 55.4 | Low | 58 Ų | 58 | 76.1 Ų | 76.1 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 111.6 | -18 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | C1109 | C1109-G1112 PolarHBondContact O-N 3.16Š|
| 1113 | E | 48.9 | Very low | 55.7 | Low | 122 Ų | 122 | 73.5 Ų | 73.5 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | trans | -80.9 | 130.4 | -177.6 | -61.4 | -64.1 | 161.6 | 0 | 0 | 111.9 | C1109 I1115 | C1109-E1113 HydrophobicContact CB-CB 4.31Å; C1109-E1113 WeakPolarHBondContact CB-O 2.96Å; C1109-E1113 PolarHBondContact N-O 2.89Å; C1109-E1113 PolarHBondContact SG-O 2.86Å; E1113-I1115 HydrophobicContact CB-CG2 4.41Å | ||
| 1114 | C | 59.4 | Low | 55.7 | Low | 54 Ų | 54 | 72.8 Ų | 72.8 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.6 | 161.5 | -67.7 | 0 | 0 | 0 | 0 | 108.9 | Y1107 | Y1107-C1114 CarbonylContact O-C 3.54Å; Y1107-C1114 VanDerWaalsContact O-CA 3.29Å; Y1107-C1114 WeakPolarHBondContact O-CA 2.98Å |
| 1115 | I | 53.9 | Low | 56.4 | Low | 28 Ų | 28 | 73.2 Ų | 73.2 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.3 | -178.4 | 54.6 | 177.9 | 0 | 0 | 0 | 109.9 | Q1106 Y1107 E1113 Q1117 M1119 R1120 D1132 | Q1106-I1115 CarbonylContact C-O 3.46Å; Q1106-I1115 WeakPolarHBondContact CA-O 3.39Å; Q1106-I1115 WeakPolarHBondContact CB-O 3.5Å; Y1107-I1115 HydrophobicContact CD1-CG1 4.28Å; Y1107-I1115 PolarHBondContact N-O 2.03Å; Y1107-I1115 PolarHBondContact O-N 2.84Å; E1113-I1115 HydrophobicContact CB-CG2 4.41Å; I1115-Q1117 PolarHBondContact O-N 3.11Å; I1115-M1119 HydrophobicContact CB-CE 4.32Å; I1115-M1119 HydrophobicContact CG2-CE 4.3Å; I1115-R1120 HydrophobicContact CD1-CB 3.93Å; I1115-R1120 HydrophobicContact CG1-CB 4.26Å; I1115-D1132 HydrophobicContact CD1-CB 3.85Å; I1115-D1132 WeakPolarHBondContact CD1-OD1 3.43Å |
| 1116 | E | 53 | Low | 56.6 | Low | 55 Ų | 55 | 75.9 Ų | 75.9 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 139.3 | 172 | -67.8 | 166.2 | -156.5 | 0 | 0 | 110.5 | Q1106 Q1118 M1119 R1120 | Q1106-E1116 HydrophobicContact CG-CB 4.47Å; Q1106-E1116 HydrophobicContact CG-CG 3.98Å; E1116-Q1118 HydrophobicContact CB-CG 3.94Å; E1116-Q1118 PolarHBondContact O-N 3.03Å; E1116-Q1118 PolarHBondContact OE2-NE2 3.36Å; E1116-M1119 PolarHBondContact O-N 2.83Å; E1116-R1120 PolarHBondContact O-N 2.89Å |
| 1117 | Q | 57.6 | Low | 56.8 | Low | 94 Ų | 94 | 75 Ų | 75 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16 | -171.2 | -76.4 | 167 | 14.8 | 0 | 0 | 113.5 | G1105 Q1106 I1115 R1120 | G1105-Q1117 VanDerWaalsContact C-CD 3.41Å; G1105-Q1117 WeakPolarHBondContact O-CB 3Å; G1105-Q1117 VanDerWaalsContact O-CG 3.3Å; G1105-Q1117 WeakPolarHBondContact O-CG 3.26Å; G1105-Q1117 PolarHBondContact O-N 3.29Å; Q1106-Q1117 PolarHBondContact O-NE2 2.82Å; I1115-Q1117 PolarHBondContact O-N 3.11Å; Q1117-R1120 CarbonylContact O-C 3.33Å |
| 1118 | Q | 58.8 | Low | 56.7 | Low | 136 Ų | 136 | 84 Ų | 84 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.5 | 172.6 | 56.7 | 175.6 | -18.1 | 0 | 0 | 114.8 | E1116 C1121 | E1116-Q1118 HydrophobicContact CB-CG 3.94Å; E1116-Q1118 PolarHBondContact O-N 3.03Å; E1116-Q1118 PolarHBondContact OE2-NE2 3.36Å; Q1118-C1121 CarbonylContact O-C 3.57Å |
| 1119 | M | 58.9 | Low | 56.4 | Low | 88 Ų | 88 | 82.9 Ų | 82.9 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -31.2 | 174.1 | -66.1 | -164.8 | -54.9 | 0 | 0 | 111.2 | I1115 E1116 C1121 | I1115-M1119 HydrophobicContact CB-CE 4.32Å; I1115-M1119 HydrophobicContact CG2-CE 4.3Å; E1116-M1119 PolarHBondContact O-N 2.83Å; M1119-C1121 PolarHBondContact O-N 3.26Å |
| 1120 | R | 46.9 | Very low | 55.7 | Low | 74 Ų | 74 | 83.8 Ų | 83.8 | 28% | 0.279 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 38.9 | 159.4 | -159.7 | -125.5 | -163.6 | -150 | 3.6 | 113 | Y1107 I1115 E1116 Q1117 D1132 T1134 G1135 | Y1107-R1120 HydrophobicContact CD1-CB 3.75Å; Y1107-R1120 VanDerWaalsContact CD1-CD 3.47Å; Y1107-R1120 HydrophobicContact CD1-CG 3.35Å; Y1107-R1120 HydrophobicContact CE1-CB 4.46Å; Y1107-R1120 HydrophobicContact CE1-CG 3.62Å; Y1107-R1120 VanDerWaalsContact CE1-NE 3.32Å; Y1107-R1120 VanDerWaalsContact CE2-CZ 3.48Å; Y1107-R1120 HydrophobicContact CG-CB 4.11Å; Y1107-R1120 VanDerWaalsContact CG-CD 3.42Å; Y1107-R1120 HydrophobicContact CG-CG 3.82Å; Y1107-R1120 PolarHBondContact OH-NH2 2.68Å; I1115-R1120 HydrophobicContact CD1-CB 3.93Å; I1115-R1120 HydrophobicContact CG1-CB 4.26Å; E1116-R1120 PolarHBondContact O-N 2.89Å; Q1117-R1120 CarbonylContact O-C 3.33Å; R1120-D1132 VanDerWaalsContact CA-OD1 3.28Å; R1120-D1132 WeakPolarHBondContact CA-OD1 3.05Å; R1120-D1132 WeakPolarHBondContact CG-O 3.4Å; R1120-T1134 PolarHBondContact NH2-O 3.42Å; R1120-G1135 WeakPolarHBondContact CD-O 2.95Å; R1120-G1135 PolarHBondContact NH1-O 2.56Å; R1120-G1135 VanDerWaalsContact O-O 3.11Å |
| 1121 | C | 61.5 | Low | 55.7 | Low | 59 Ų | 59 | 79 Ų | 79 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -172 | 62.3 | 166.9 | -102.2 | 0 | 0 | 0 | 0 | 112.1 | Q1118 M1119 C1136 P1137 | Q1118-C1121 CarbonylContact O-C 3.57Å; M1119-C1121 PolarHBondContact O-N 3.26Å; C1121-C1136 VanDerWaalsContact CA-SG 3.58Å; C1121-C1136 PolarHBondContact N-SG 2.74Å; C1121-P1137 VanDerWaalsContact C-CD 3.43Å; C1121-P1137 VanDerWaalsContact C-CG 3.43Å; C1121-P1137 HydrophobicContact CB-CB 3.75Å; C1121-P1137 VanDerWaalsContact O-CB 3.31Å; C1121-P1137 WeakPolarHBondContact O-CB 3.5Å; C1121-P1137 WeakPolarHBondContact O-CG 3.26Å |
| 1122 | D | 55.4 | Low | 56 | Low | 59 Ų | 59 | 76.7 Ų | 76.7 | 32% | 0.316 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -126.6 | -24.3 | 168.2 | 80.4 | 59.4 | 0 | 0 | 0 | 120.1 | R1124 P1137 | D1122-R1124 VanDerWaalsContact CG-NH2 3.29Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.33Å; D1122-R1124 IonicContact OD1-CZ 3.28Å; D1122-R1124 VanDerWaalsContact OD1-CZ 3.28Å; D1122-R1124 PolarHBondContact OD1-N 3.47Å; D1122-R1124 IonicContact OD1-NE 2.69Å; D1122-R1124 PolarHBondContact OD1-NE 3.31Å; D1122-R1124 IonicContact OD1-NH2 3.84Å; D1122-R1124 PolarHBondContact OD1-NH2 3.04Å; D1122-R1124 IonicContact OD2-CZ 3.29Å; D1122-R1124 IonicContact OD2-NE 3Å; D1122-R1124 IonicContact OD2-NH2 3.23Å; D1122-R1124 PolarHBondContact OD2-NH2 3.02Å; D1122-P1137 VanDerWaalsContact N-CD 3.35Å |
| 1123 | G | 55.1 | Low | 56.5 | Low | 52 Ų | 52 | 76.1 Ų | 76.1 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 110.3 | 16.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1133 | G1123-E1133 VanDerWaalsContact C-CD 3.41Å; G1123-E1133 WeakPolarHBondContact CA-OE1 2.92Å; G1123-E1133 WeakPolarHBondContact CA-OE2 3.5Å; G1123-E1133 PolarHBondContact N-OE1 2.97Å |
| 1124 | R | 48.2 | Very low | 56.5 | Low | 127 Ų | 127 | 74.7 Ų | 74.7 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -136.1 | 117.2 | -176.4 | -51.6 | 170.7 | -63.1 | 109 | 6.9 | 111.3 | D1122 D1126 E1133 | D1122-R1124 VanDerWaalsContact CG-NH2 3.29Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.33Å; D1122-R1124 IonicContact OD1-CZ 3.28Å; D1122-R1124 VanDerWaalsContact OD1-CZ 3.28Å; D1122-R1124 PolarHBondContact OD1-N 3.47Å; D1122-R1124 IonicContact OD1-NE 2.69Å; D1122-R1124 PolarHBondContact OD1-NE 3.31Å; D1122-R1124 IonicContact OD1-NH2 3.84Å; D1122-R1124 PolarHBondContact OD1-NH2 3.04Å; D1122-R1124 IonicContact OD2-CZ 3.29Å; D1122-R1124 IonicContact OD2-NE 3Å; D1122-R1124 IonicContact OD2-NH2 3.23Å; D1122-R1124 PolarHBondContact OD2-NH2 3.02Å; R1124-D1126 VanDerWaalsContact C-N 3.35Å; R1124-D1126 IonicContact CZ-OD2 3.58Å; R1124-D1126 VanDerWaalsContact CZ-OD2 3.29Å; R1124-D1126 IonicContact NH1-OD1 2.77Å; R1124-D1126 PolarHBondContact NH1-OD1 2.02Å; R1124-D1126 IonicContact NH1-OD2 3.55Å; R1124-D1126 PolarHBondContact NH1-OD2 2.86Å; R1124-D1126 IonicContact NH2-OD2 3.3Å; R1124-D1126 PolarHBondContact NH2-OD2 3.27Å; R1124-D1126 PolarHBondContact O-N 3.19Å; R1124-E1133 VanDerWaalsContact C-CD 3.47Å; R1124-E1133 VanDerWaalsContact C-CG 3.43Å; R1124-E1133 PolarHBondContact N-OE1 2.98Å; R1124-E1133 PolarHBondContact N-OE2 3.4Å; R1124-E1133 VanDerWaalsContact O-CG 3.29Å; R1124-E1133 WeakPolarHBondContact O-CG 3.38Å |
| 1125 | Q | 62.1 | Low | 56 | Low | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | trans | -54.5 | 74.4 | -176.1 | -157.1 | -162.3 | -63.5 | 0 | 0 | 116.5 | A1130 E1133 | Q1125-A1130 VanDerWaalsContact CD-CB 3.48Å; Q1125-A1130 HydrophobicContact CG-CB 3.81Å; Q1125-E1133 HydrophobicContact CB-CB 4.36Å; Q1125-E1133 HydrophobicContact CG-CB 4.34Å | ||
| 1126 | D | 51.4 | Low | 55.7 | Low | 91 Ų | 91 | 73.3 Ų | 73.3 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | trans | -86.2 | -24.2 | -172.3 | -78.7 | -9.6 | 0 | 0 | 0 | 112.3 | R1124 D1132 | R1124-D1126 VanDerWaalsContact C-N 3.35Å; R1124-D1126 IonicContact CZ-OD2 3.58Å; R1124-D1126 VanDerWaalsContact CZ-OD2 3.29Å; R1124-D1126 IonicContact NH1-OD1 2.77Å; R1124-D1126 PolarHBondContact NH1-OD1 2.02Å; R1124-D1126 IonicContact NH1-OD2 3.55Å; R1124-D1126 PolarHBondContact NH1-OD2 2.86Å; R1124-D1126 IonicContact NH2-OD2 3.3Å; R1124-D1126 PolarHBondContact NH2-OD2 3.27Å; R1124-D1126 PolarHBondContact O-N 3.19Å; D1126-D1132 WeakPolarHBondContact CA-OD2 3.3Å; D1126-D1132 WeakPolarHBondContact CB-OD2 3.17Å; D1126-D1132 PolarHBondContact N-OD2 2.84Å | ||
| 1127 | C | 63.4 | Low | 54.9 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.027 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -79.8 | 138.8 | 164.4 | -160.2 | 0 | 0 | 0 | 0 | 112.8 | C1109 S1111 D1129 A1130 D1132 | C1109-C1127 HydrophobicContact CB-CB 4.13Å; C1109-C1127 WeakPolarHBondContact CB-SG 3.26Å; S1111-C1127 PolarHBondContact OG-SG 3.37Å; C1127-D1129 VanDerWaalsContact C-N 3.33Å; C1127-D1129 PolarHBondContact O-N 2.94Å; C1127-A1130 WeakPolarHBondContact O-CA 3.34Å; C1127-A1130 PolarHBondContact O-N 2.02Å; C1127-D1132 HydrophobicContact CB-CB 3.33Å; C1127-D1132 PolarHBondContact N-OD2 2.01Å |
| 1128 | R | 59.7 | Low | 54.6 | Low | 240 Ų | 240 | 71.1 Ų | 71.1 | 91% | 0.906 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.4 | -163.5 | -159.3 | 166 | 176.3 | 173.2 | -3.1 | 115.2 | ||
| 1129 | D | 59 | Low | 54.1 | Low | 120 Ų | 120 | 76 Ų | 76 | 64% | 0.642 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 45.3 | 166.1 | -161.9 | 29.6 | 0 | 0 | 0 | 110.8 | S1111 C1127 S1131 | S1111-D1129 PolarHBondContact OG-N 2.98Å; C1127-D1129 VanDerWaalsContact C-N 3.33Å; C1127-D1129 PolarHBondContact O-N 2.94Å; D1129-S1131 PolarHBondContact O-N 2.83Å; D1129-S1131 PolarHBondContact O-OG 3.19Å; D1129-S1131 VanDerWaalsContact O-OG 3.13Å |
| 1130 | A | 49.9 | Very low | 53.8 | Low | 24 Ų | 24 | 73.7 Ų | 73.7 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 58 | -2.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q1125 C1127 D1132 E1133 T1134 | Q1125-A1130 VanDerWaalsContact CD-CB 3.48Å; Q1125-A1130 HydrophobicContact CG-CB 3.81Å; C1127-A1130 WeakPolarHBondContact O-CA 3.34Å; C1127-A1130 PolarHBondContact O-N 2.02Å; A1130-D1132 PolarHBondContact O-N 2.03Å; A1130-E1133 PolarHBondContact O-N 2.84Å; A1130-T1134 VanDerWaalsContact C-OG1 3.29Å; A1130-T1134 HydrophobicContact CB-CG2 4.42Å; A1130-T1134 PolarHBondContact O-N 2.69Å; A1130-T1134 PolarHBondContact O-OG1 3.44Å |
| 1131 | S | 59.8 | Low | 54.2 | Low | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.4 | -165.7 | -60.3 | 0 | 0 | 0 | 0 | 117.6 | Y1107 S1110 S1111 D1129 T1134 | Y1107-S1131 VanDerWaalsContact CE1-O 3.29Å; Y1107-S1131 WeakPolarHBondContact CE1-O 3.43Å; Y1107-S1131 PolarHBondContact OH-O 2.75Å; S1110-S1131 WeakPolarHBondContact CB-OG 3.19Å; S1110-S1131 VanDerWaalsContact N-CB 3.25Å; S1110-S1131 PolarHBondContact N-OG 3.46Å; S1110-S1131 WeakPolarHBondContact OG-CB 3.48Å; S1110-S1131 PolarHBondContact OG-OG 2.93Å; S1111-S1131 PolarHBondContact N-OG 2.93Å; S1111-S1131 VanDerWaalsContact N-OG 3.07Å; D1129-S1131 PolarHBondContact O-N 2.83Å; D1129-S1131 PolarHBondContact O-OG 3.19Å; D1129-S1131 VanDerWaalsContact O-OG 3.13Å; S1131-T1134 WeakPolarHBondContact CA-OG1 3.48Å |
| 1132 | D | 61.7 | Low | 53.4 | Low | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -50.7 | 174.2 | 154.5 | 56.8 | 0 | 0 | 0 | 109.2 | I1115 R1120 D1126 C1127 A1130 T1134 G1135 C1136 | I1115-D1132 HydrophobicContact CD1-CB 3.85Å; I1115-D1132 WeakPolarHBondContact CD1-OD1 3.43Å; R1120-D1132 VanDerWaalsContact CA-OD1 3.28Å; R1120-D1132 WeakPolarHBondContact CA-OD1 3.05Å; R1120-D1132 WeakPolarHBondContact CG-O 3.4Å; D1126-D1132 WeakPolarHBondContact CA-OD2 3.3Å; D1126-D1132 WeakPolarHBondContact CB-OD2 3.17Å; D1126-D1132 PolarHBondContact N-OD2 2.84Å; C1127-D1132 HydrophobicContact CB-CB 3.33Å; C1127-D1132 PolarHBondContact N-OD2 2.01Å; A1130-D1132 PolarHBondContact O-N 2.03Å; D1132-T1134 CarbonylContact O-C 3.59Å; D1132-G1135 CarbonylContact O-C 3.52Å; D1132-G1135 WeakPolarHBondContact O-CA 3.34Å; D1132-G1135 PolarHBondContact O-N 3.25Å; D1132-C1136 PolarHBondContact O-SG 3.43Å |
| 1133 | E | 62.7 | Low | 53.2 | Low | 46 Ų | 46 | 81.3 Ų | 81.3 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -10.7 | -169.1 | -78.5 | -96.2 | 159.4 | 0 | 0 | 115.6 | G1123 R1124 Q1125 A1130 G1135 C1136 | G1123-E1133 VanDerWaalsContact C-CD 3.41Å; G1123-E1133 WeakPolarHBondContact CA-OE1 2.92Å; G1123-E1133 WeakPolarHBondContact CA-OE2 3.5Å; G1123-E1133 PolarHBondContact N-OE1 2.97Å; R1124-E1133 VanDerWaalsContact C-CD 3.47Å; R1124-E1133 VanDerWaalsContact C-CG 3.43Å; R1124-E1133 PolarHBondContact N-OE1 2.98Å; R1124-E1133 PolarHBondContact N-OE2 3.4Å; R1124-E1133 VanDerWaalsContact O-CG 3.29Å; R1124-E1133 WeakPolarHBondContact O-CG 3.38Å; Q1125-E1133 HydrophobicContact CB-CB 4.36Å; Q1125-E1133 HydrophobicContact CG-CB 4.34Å; A1130-E1133 PolarHBondContact O-N 2.84Å; E1133-G1135 PolarHBondContact O-N 2.82Å; E1133-C1136 HydrophobicContact CB-CB 4.29Å; E1133-C1136 HydrophobicContact CG-CB 3.85Å; E1133-C1136 VanDerWaalsContact CG-SG 3.53Å; E1133-C1136 WeakPolarHBondContact OE1-CB 3.19Å; E1133-C1136 PolarHBondContact OE1-SG 2.85Å; E1133-C1136 VanDerWaalsContact OE2-CB 3.31Å; E1133-C1136 WeakPolarHBondContact OE2-CB 3.32Å |
| 1134 | T | 47.3 | Very low | 53.6 | Low | 92 Ų | 92 | 81.3 Ų | 81.3 | 56% | 0.564 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 61.3 | 136.9 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | R1120 A1130 S1131 D1132 | R1120-T1134 PolarHBondContact NH2-O 3.42Å; A1130-T1134 VanDerWaalsContact C-OG1 3.29Å; A1130-T1134 HydrophobicContact CB-CG2 4.42Å; A1130-T1134 PolarHBondContact O-N 2.69Å; A1130-T1134 PolarHBondContact O-OG1 3.44Å; S1131-T1134 WeakPolarHBondContact CA-OG1 3.48Å; D1132-T1134 CarbonylContact O-C 3.59Å |
| 1135 | G | 50.6 | Low | 54.1 | Low | 20 Ų | 20 | 77.9 Ų | 77.9 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 167.1 | 6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | R1120 D1132 E1133 | R1120-G1135 WeakPolarHBondContact CD-O 2.95Å; R1120-G1135 PolarHBondContact NH1-O 2.56Å; R1120-G1135 VanDerWaalsContact O-O 3.11Å; D1132-G1135 CarbonylContact O-C 3.52Å; D1132-G1135 WeakPolarHBondContact O-CA 3.34Å; D1132-G1135 PolarHBondContact O-N 3.25Å; E1133-G1135 PolarHBondContact O-N 2.82Å |
| 1136 | C | 45.5 | Very low | 54.3 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | trans | -114.8 | 178.8 | -160.4 | -81.5 | 0 | 0 | 0 | 0 | 116.8 | C1121 D1132 E1133 | C1121-C1136 VanDerWaalsContact CA-SG 3.58Å; C1121-C1136 PolarHBondContact N-SG 2.74Å; D1132-C1136 PolarHBondContact O-SG 3.43Å; E1133-C1136 HydrophobicContact CB-CB 4.29Å; E1133-C1136 HydrophobicContact CG-CB 3.85Å; E1133-C1136 VanDerWaalsContact CG-SG 3.53Å; E1133-C1136 WeakPolarHBondContact OE1-CB 3.19Å; E1133-C1136 PolarHBondContact OE1-SG 2.85Å; E1133-C1136 VanDerWaalsContact OE2-CB 3.31Å; E1133-C1136 WeakPolarHBondContact OE2-CB 3.32Å | ||
| 1137 | P | 38.1 | Very low | 54.9 | Low | 38 Ų | 38 | 70.7 Ų | 70.7 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | trans | -93.1 | 174.4 | -132.7 | 41.7 | -41.6 | 0 | 0 | 0 | 115.9 | C1121 D1122 | C1121-P1137 VanDerWaalsContact C-CD 3.43Å; C1121-P1137 VanDerWaalsContact C-CG 3.43Å; C1121-P1137 HydrophobicContact CB-CB 3.75Å; C1121-P1137 VanDerWaalsContact O-CB 3.31Å; C1121-P1137 WeakPolarHBondContact O-CB 3.5Å; C1121-P1137 WeakPolarHBondContact O-CG 3.26Å; D1122-P1137 VanDerWaalsContact N-CD 3.35Å | ||
| 1138 | P | 50.8 | Low | 54.7 | Low | 65 Ų | 65 | 74.3 Ų | 74.3 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | -148.1 | 93.5 | 115.2 | 36.5 | -20.7 | 0 | 0 | 0 | 118.2 | Q1146 | P1138-Q1146 PolarHBondContact O-NE2 2.79Å; P1138-Q1146 PolarHBondContact O-OE1 3.15Å; P1138-Q1146 VanDerWaalsContact O-OE1 3.06Å | |||
| 1139 | R | 47.7 | Very low | 54.6 | Low | 238 Ų | 238 | 64.9 Ų | 64.9 | 90% | 0.898 | 36% | 0.355 | S | S | * | . | trans | 24.9 | 103.8 | 152.1 | -69.6 | 178.6 | 169 | 171.1 | -3.3 | 119.6 | C1152 | R1139-C1152 VanDerWaalsContact C-SG 3.55Å; R1139-C1152 PolarHBondContact O-SG 3.13Å | ||
| 1140 | C | 53.9 | Low | 54.6 | Low | 40 Ų | 40 | 60.9 Ų | 60.9 | 27% | 0.27 | 34% | 0.342 | S | S | . | . | trans | -112.6 | 164.2 | 156 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | Q1144 Y1145 Q1146 C1152 | C1140-Q1144 HydrophobicContact CB-CB 3.82Å; C1140-Y1145 PolarHBondContact SG-O 3.13Å; C1140-Y1145 VanDerWaalsContact SG-O 3.4Å; C1140-Q1146 VanDerWaalsContact SG-CD 3.58Å; C1140-Q1146 PolarHBondContact SG-NE2 3.32Å; C1140-Q1146 VanDerWaalsContact SG-NE2 3.35Å; C1140-C1152 WeakPolarHBondContact CA-SG 3.27Å; C1140-C1152 HydrophobicContact CB-CB 3.8Å; C1140-C1152 WeakPolarHBondContact CB-SG 3.32Å; C1140-C1152 VanDerWaalsContact SG-CA 3.56Å; C1140-C1152 WeakPolarHBondContact SG-CB 3.32Å; C1140-C1152 CovalentContact SG-SG 2.04Å; C1140-C1152 PolarHBondContact SG-SG 2.76Å | ||
| 1141 | R | 53.6 | Low | 55 | Low | 180 Ų | 180 | 64.6 Ų | 64.6 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | trans | -85.1 | 165.2 | 179.3 | -69.3 | -175.6 | 174.8 | 79.6 | -2 | 113.4 | G1143 Q1144 | R1141-G1143 PolarHBondContact O-N 2.83Å; R1141-Q1144 HydrophobicContact CB-CG 4.3Å; R1141-Q1144 WeakPolarHBondContact O-CA 3.46Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.34Å; R1141-Q1144 PolarHBondContact O-N 3.11Å | ||
| 1142 | P | 46.3 | Very low | 55.3 | Low | 135 Ų | 135 | 66.9 Ų | 66.9 | 88% | 0.877 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132.8 | 160.4 | -23.5 | 34.6 | 0 | 0 | 0 | 110.3 | Q1144 | P1142-Q1144 VanDerWaalsContact C-N 3.34Š|
| 1143 | G | 49.6 | Very low | 55.5 | Low | 37 Ų | 37 | 67.8 Ų | 67.8 | 38% | 0.381 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1141 E1154 Q1155 | R1141-G1143 PolarHBondContact O-N 2.83Å; G1143-E1154 CarbonylContact O-C 3.54Å; G1143-E1154 WeakPolarHBondContact O-CA 3.21Å; G1143-Q1155 PolarHBondContact O-N 2.79Å |
| 1144 | Q | 64.2 | Low | 55.4 | Low | 52 Ų | 52 | 70.1 Ų | 70.1 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.5 | 174.5 | -63.6 | 179.8 | -28.7 | 0 | 0 | 112.5 | C1140 R1141 P1142 I1153 E1154 | C1140-Q1144 HydrophobicContact CB-CB 3.82Å; R1141-Q1144 HydrophobicContact CB-CG 4.3Å; R1141-Q1144 WeakPolarHBondContact O-CA 3.46Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.34Å; R1141-Q1144 PolarHBondContact O-N 3.11Å; P1142-Q1144 VanDerWaalsContact C-N 3.34Å; Q1144-I1153 CarbonylContact C-O 3.33Å; Q1144-I1153 WeakPolarHBondContact CA-O 3.37Å; Q1144-I1153 WeakPolarHBondContact CB-O 3.42Å; Q1144-E1154 HydrophobicContact CG-CG 3.96Å |
| 1145 | Y | 59.3 | Low | 56.1 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 154.8 | 174.7 | 175.5 | -105.4 | 0 | 0 | 0 | 111.5 | C1140 C1152 I1153 R1158 S1169 D1170 | C1140-Y1145 PolarHBondContact SG-O 3.13Å; C1140-Y1145 VanDerWaalsContact SG-O 3.4Å; Y1145-C1152 WeakPolarHBondContact O-CA 3.43Å; Y1145-I1153 HydrophobicContact CD1-CD1 4.5Å; Y1145-I1153 HydrophobicContact CD1-CG1 4.4Å; Y1145-I1153 PolarHBondContact N-O 2.91Å; Y1145-I1153 PolarHBondContact O-N 3.14Å; Y1145-R1158 HydrophobicContact CD1-CB 4.42Å; Y1145-R1158 HydrophobicContact CD1-CG 3.78Å; Y1145-R1158 HydrophobicContact CD2-CG 4.26Å; Y1145-R1158 HydrophobicContact CE1-CG 4.02Å; Y1145-R1158 HydrophobicContact CE2-CG 4.48Å; Y1145-R1158 VanDerWaalsContact CE2-NE 3.32Å; Y1145-R1158 HydrophobicContact CG-CB 4.43Å; Y1145-R1158 HydrophobicContact CG-CG 3.91Å; Y1145-S1169 PolarHBondContact OH-O 2.93Å; Y1145-D1170 HydrophobicContact CD1-CB 3.86Å; Y1145-D1170 VanDerWaalsContact CE1-CA 3.48Å; Y1145-D1170 HydrophobicContact CE1-CB 3.74Å |
| 1146 | Q | 65.5 | Low | 56.7 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.1 | -176.3 | 179.3 | 103.2 | 84.2 | 0 | 0 | 111.7 | P1138 C1140 E1151 C1152 | P1138-Q1146 PolarHBondContact O-NE2 2.79Å; P1138-Q1146 PolarHBondContact O-OE1 3.15Å; P1138-Q1146 VanDerWaalsContact O-OE1 3.06Å; C1140-Q1146 VanDerWaalsContact SG-CD 3.58Å; C1140-Q1146 PolarHBondContact SG-NE2 3.32Å; C1140-Q1146 VanDerWaalsContact SG-NE2 3.35Å; Q1146-E1151 PolarHBondContact NE2-O 3.4Å; Q1146-E1151 VanDerWaalsContact NE2-O 3.16Å; Q1146-C1152 PolarHBondContact NE2-SG 3.14Å; Q1146-C1152 VanDerWaalsContact NE2-SG 3.42Å |
| 1147 | C | 65 | Low | 57.5 | Low | 7 Ų | 7 | 78.4 Ų | 78.4 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | trans | -68.1 | 146.6 | 170.1 | -88 | 0 | 0 | 0 | 0 | 115.5 | S1149 G1150 E1151 C1165 | C1147-S1149 WeakPolarHBondContact CB-OG 3.14Å; C1147-S1149 PolarHBondContact O-N 2.97Å; C1147-G1150 PolarHBondContact O-N 2.71Å; C1147-E1151 HydrophobicContact CB-CB 4.01Å; C1147-E1151 WeakPolarHBondContact CB-O 3.49Å; C1147-E1151 PolarHBondContact N-O 3.37Å; C1147-C1165 WeakPolarHBondContact CA-SG 3.36Å; C1147-C1165 HydrophobicContact CB-CB 4.32Å; C1147-C1165 WeakPolarHBondContact CB-SG 3.35Å; C1147-C1165 WeakPolarHBondContact SG-CA 3.11Å; C1147-C1165 WeakPolarHBondContact SG-CB 3.38Å; C1147-C1165 CovalentContact SG-SG 2.01Å; C1147-C1165 PolarHBondContact SG-SG 3.05Å | ||
| 1148 | S | 58.8 | Low | 58.1 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.6 | 158.5 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | G1150 D1167 S1169 | S1148-G1150 VanDerWaalsContact C-N 3.25Å; S1148-G1150 PolarHBondContact O-N 3.37Å; S1148-D1167 PolarHBondContact OG-OD2 2.8Å; S1148-S1169 WeakPolarHBondContact CA-OG 3.28Å; S1148-S1169 WeakPolarHBondContact CB-OG 3.25Å; S1148-S1169 VanDerWaalsContact N-CB 3.26Å; S1148-S1169 PolarHBondContact N-OG 3.06Å; S1148-S1169 WeakPolarHBondContact OG-CB 3.43Å; S1148-S1169 PolarHBondContact OG-OG 3.14Å |
| 1149 | S | 58.1 | Low | 58.6 | Low | 42 Ų | 42 | 78 Ų | 78 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -2.5 | 168.3 | 78.9 | 0 | 0 | 0 | 0 | 114.9 | C1147 C1165 R1166 | C1147-S1149 WeakPolarHBondContact CB-OG 3.14Å; C1147-S1149 PolarHBondContact O-N 2.97Å; S1149-C1165 PolarHBondContact OG-SG 2.94Å; S1149-R1166 PolarHBondContact OG-N 3.08Å |
| 1150 | G | 58.3 | Low | 59.2 | Low | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 86.4 | 3.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | C1147 S1148 | C1147-G1150 PolarHBondContact O-N 2.71Å; S1148-G1150 VanDerWaalsContact C-N 3.25Å; S1148-G1150 PolarHBondContact O-N 3.37Å |
| 1151 | E | 59.4 | Low | 59.5 | Low | 102 Ų | 102 | 70 Ų | 70 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | trans | -78.9 | 171.4 | 172 | -54.5 | -70 | 171 | 0 | 0 | 112.4 | Q1146 C1147 | Q1146-E1151 PolarHBondContact NE2-O 3.4Å; Q1146-E1151 VanDerWaalsContact NE2-O 3.16Å; C1147-E1151 HydrophobicContact CB-CB 4.01Å; C1147-E1151 WeakPolarHBondContact CB-O 3.49Å; C1147-E1151 PolarHBondContact N-O 3.37Å | ||
| 1152 | C | 65.7 | Low | 59.6 | Low | 48 Ų | 48 | 66.6 Ų | 66.6 | 32% | 0.324 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.8 | 173.7 | -73.4 | 0 | 0 | 0 | 0 | 111.2 | R1139 C1140 Y1145 Q1146 | R1139-C1152 VanDerWaalsContact C-SG 3.55Å; R1139-C1152 PolarHBondContact O-SG 3.13Å; C1140-C1152 WeakPolarHBondContact CA-SG 3.27Å; C1140-C1152 HydrophobicContact CB-CB 3.8Å; C1140-C1152 WeakPolarHBondContact CB-SG 3.32Å; C1140-C1152 VanDerWaalsContact SG-CA 3.56Å; C1140-C1152 WeakPolarHBondContact SG-CB 3.32Å; C1140-C1152 CovalentContact SG-SG 2.04Å; C1140-C1152 PolarHBondContact SG-SG 2.76Å; Y1145-C1152 WeakPolarHBondContact O-CA 3.43Å; Q1146-C1152 PolarHBondContact NE2-SG 3.14Å; Q1146-C1152 VanDerWaalsContact NE2-SG 3.42Å |
| 1153 | I | 64.9 | Low | 60.2 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 165 | -177.1 | 58.1 | -174 | 0 | 0 | 0 | 110 | Q1144 Y1145 M1157 D1164 D1170 | Q1144-I1153 CarbonylContact C-O 3.33Å; Q1144-I1153 WeakPolarHBondContact CA-O 3.37Å; Q1144-I1153 WeakPolarHBondContact CB-O 3.42Å; Y1145-I1153 HydrophobicContact CD1-CD1 4.5Å; Y1145-I1153 HydrophobicContact CD1-CG1 4.4Å; Y1145-I1153 PolarHBondContact N-O 2.91Å; Y1145-I1153 PolarHBondContact O-N 3.14Å; I1153-M1157 HydrophobicContact CB-CE 3.86Å; I1153-M1157 HydrophobicContact CD1-CB 4.28Å; I1153-M1157 WeakPolarHBondContact CD1-O 3.48Å; I1153-M1157 HydrophobicContact CG2-CE 3.92Å; I1153-D1164 HydrophobicContact CD1-CB 4.19Å; I1153-D1170 HydrophobicContact CD1-CB 3.64Å |
| 1154 | E | 60.9 | Low | 60.5 | Low | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 152.7 | -179.7 | -70.7 | 178.9 | 177.4 | 0 | 0 | 112.2 | G1143 Q1144 Q1156 M1157 | G1143-E1154 CarbonylContact O-C 3.54Å; G1143-E1154 WeakPolarHBondContact O-CA 3.21Å; Q1144-E1154 HydrophobicContact CG-CG 3.96Å; E1154-Q1156 HydrophobicContact CB-CG 3.87Å; E1154-Q1156 PolarHBondContact O-N 2.81Å; E1154-Q1156 VanDerWaalsContact O-N 3.07Å; E1154-Q1156 PolarHBondContact OE2-NE2 3.27Å; E1154-M1157 CarbonylContact O-C 3.6Å; E1154-M1157 WeakPolarHBondContact O-CA 3.21Å; E1154-M1157 PolarHBondContact O-N 3.46Å |
| 1155 | Q | 63 | Low | 60.6 | Low | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.6 | -177.4 | -78.3 | -179.6 | 7.7 | 0 | 0 | 113.7 | G1143 M1157 | G1143-Q1155 PolarHBondContact O-N 2.79Å; Q1155-M1157 PolarHBondContact O-N 2.9Å |
| 1156 | Q | 61.5 | Low | 60.9 | Low | 142 Ų | 142 | 72.3 Ų | 72.3 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.5 | 169.9 | 56 | 179.1 | -20.7 | 0 | 0 | 113.7 | E1154 | E1154-Q1156 HydrophobicContact CB-CG 3.87Å; E1154-Q1156 PolarHBondContact O-N 2.81Å; E1154-Q1156 VanDerWaalsContact O-N 3.07Å; E1154-Q1156 PolarHBondContact OE2-NE2 3.27Å |
| 1157 | M | 62.4 | Low | 60.3 | Low | 52 Ų | 52 | 74.3 Ų | 74.3 | 26% | 0.256 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -107.1 | 60.5 | 174.6 | -44.4 | -160.3 | -35.7 | 0 | 0 | 109 | I1153 E1154 Q1155 R1162 D1164 | I1153-M1157 HydrophobicContact CB-CE 3.86Å; I1153-M1157 HydrophobicContact CD1-CB 4.28Å; I1153-M1157 WeakPolarHBondContact CD1-O 3.48Å; I1153-M1157 HydrophobicContact CG2-CE 3.92Å; E1154-M1157 CarbonylContact O-C 3.6Å; E1154-M1157 WeakPolarHBondContact O-CA 3.21Å; E1154-M1157 PolarHBondContact O-N 3.46Å; Q1155-M1157 PolarHBondContact O-N 2.9Å; M1157-R1162 PolarHBondContact SD-NH2 2.73Å; M1157-D1164 HydrophobicContact CE-CB 4.01Å; M1157-D1164 WeakPolarHBondContact CE-OD2 3.24Å; M1157-D1164 VanDerWaalsContact SD-OD2 3.41Å |
| 1158 | R | 52.1 | Low | 59.8 | Low | 78 Ų | 78 | 75.4 Ų | 75.4 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -137.7 | 109.5 | 170.3 | -160.1 | -160.9 | 173.1 | -134.6 | -4.1 | 108.4 | Y1145 D1170 T1172 G1173 C1174 | Y1145-R1158 HydrophobicContact CD1-CB 4.42Å; Y1145-R1158 HydrophobicContact CD1-CG 3.78Å; Y1145-R1158 HydrophobicContact CD2-CG 4.26Å; Y1145-R1158 HydrophobicContact CE1-CG 4.02Å; Y1145-R1158 HydrophobicContact CE2-CG 4.48Å; Y1145-R1158 VanDerWaalsContact CE2-NE 3.32Å; Y1145-R1158 HydrophobicContact CG-CB 4.43Å; Y1145-R1158 HydrophobicContact CG-CG 3.91Å; R1158-D1170 CarbonylContact C-O 3.55Å; R1158-D1170 HydrophobicContact CG-CB 4.15Å; R1158-D1170 WeakPolarHBondContact CG-O 3.35Å; R1158-T1172 PolarHBondContact NH2-O 3Å; R1158-G1173 PolarHBondContact NH1-O 3.24Å; R1158-G1173 VanDerWaalsContact NH1-O 3.13Å; R1158-G1173 PolarHBondContact NH2-O 2.92Å; R1158-C1174 VanDerWaalsContact C-SG 3.58Å; R1158-C1174 VanDerWaalsContact CG-SG 3.6Å |
| 1159 | C | 60 | Low | 59.9 | Low | 16 Ų | 16 | 71.7 Ų | 71.7 | 11% | 0.108 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 57 | 41.4 | -166.4 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | G1161 D1170 E1171 C1174 R1177 | C1159-G1161 VanDerWaalsContact C-N 3.25Å; C1159-D1170 PolarHBondContact N-O 3.28Å; C1159-D1170 PolarHBondContact SG-O 3.39Å; C1159-E1171 VanDerWaalsContact C-OE1 3.24Å; C1159-E1171 WeakPolarHBondContact CA-OE1 3.33Å; C1159-E1171 VanDerWaalsContact SG-CA 3.59Å; C1159-C1174 HydrophobicContact CB-CB 3.69Å; C1159-C1174 WeakPolarHBondContact CB-SG 2.98Å; C1159-C1174 WeakPolarHBondContact SG-CB 3.38Å; C1159-C1174 CovalentContact SG-SG 2.02Å; C1159-C1174 PolarHBondContact SG-SG 2.82Å; C1159-R1177 VanDerWaalsContact O-CZ 3.23Å; C1159-R1177 PolarHBondContact O-NH1 2.92Å; C1159-R1177 PolarHBondContact O-NH2 3.31Å |
| 1160 | D | 60.5 | Low | 60.2 | Low | 48 Ų | 48 | 69.7 Ų | 69.7 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -87.6 | 9 | 175.3 | 94.3 | -30.5 | 0 | 0 | 0 | 113.7 | R1162 E1171 | D1160-R1162 WeakPolarHBondContact OD1-CB 3.43Å; D1160-R1162 IonicContact OD1-CZ 2.67Å; D1160-R1162 IonicContact OD1-NE 3.82Å; D1160-R1162 IonicContact OD1-NH1 2.8Å; D1160-R1162 IonicContact OD1-NH2 3.16Å; D1160-R1162 PolarHBondContact OD1-NH2 3.14Å; D1160-R1162 IonicContact OD2-CZ 3.64Å; D1160-R1162 IonicContact OD2-NH1 2.72Å; D1160-R1162 PolarHBondContact OD2-NH1 3.34Å; D1160-R1162 IonicContact OD2-NH2 3.81Å; D1160-R1162 PolarHBondContact OD2-NH2 3.35Å; D1160-E1171 PolarHBondContact N-OE1 3.05Å |
| 1161 | G | 60.1 | Low | 60.6 | Low | 62 Ų | 62 | 71 Ų | 71 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 91.1 | 18.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1159 E1171 | C1159-G1161 VanDerWaalsContact C-N 3.25Å; G1161-E1171 VanDerWaalsContact CA-OE1 3.31Å; G1161-E1171 WeakPolarHBondContact CA-OE1 3.3Å; G1161-E1171 PolarHBondContact N-OE1 3.09Å |
| 1162 | R | 55.8 | Low | 60.3 | Low | 109 Ų | 109 | 69.7 Ų | 69.7 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -136.7 | 137.8 | -176.8 | -61.7 | -161.7 | -56.4 | -82.6 | -8.3 | 111.8 | M1157 D1160 D1164 E1171 | M1157-R1162 PolarHBondContact SD-NH2 2.73Å; D1160-R1162 WeakPolarHBondContact OD1-CB 3.43Å; D1160-R1162 IonicContact OD1-CZ 2.67Å; D1160-R1162 IonicContact OD1-NE 3.82Å; D1160-R1162 IonicContact OD1-NH1 2.8Å; D1160-R1162 IonicContact OD1-NH2 3.16Å; D1160-R1162 PolarHBondContact OD1-NH2 3.14Å; D1160-R1162 IonicContact OD2-CZ 3.64Å; D1160-R1162 IonicContact OD2-NH1 2.72Å; D1160-R1162 PolarHBondContact OD2-NH1 3.34Å; D1160-R1162 IonicContact OD2-NH2 3.81Å; D1160-R1162 PolarHBondContact OD2-NH2 3.35Å; R1162-D1164 IonicContact CZ-OD2 2.83Å; R1162-D1164 VanDerWaalsContact CZ-OD2 3.28Å; R1162-D1164 IonicContact NE-OD1 3.33Å; R1162-D1164 PolarHBondContact NE-OD1 3.33Å; R1162-D1164 IonicContact NE-OD2 3.49Å; R1162-D1164 PolarHBondContact NE-OD2 2.85Å; R1162-D1164 IonicContact NH2-OD2 3.99Å; R1162-D1164 PolarHBondContact NH2-OD2 3.08Å; R1162-D1164 PolarHBondContact O-N 3.27Å; R1162-E1171 PolarHBondContact N-OE1 2.9Å; R1162-E1171 WeakPolarHBondContact O-CG 3.16Å |
| 1163 | Q | 58.7 | Low | 59.3 | Low | 134 Ų | 134 | 70.5 Ų | 70.5 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | trans | -75.6 | 54.7 | 169.2 | -140.8 | -162.3 | -9.3 | 0 | 0 | 111.1 | C1165 A1168 | Q1163-C1165 WeakPolarHBondContact CG-O 3.22Å; Q1163-C1165 PolarHBondContact O-N 2.77Å; Q1163-A1168 HydrophobicContact CG-CB 3.7Å | ||
| 1164 | D | 57.3 | Low | 58.6 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | trans | -64.8 | -18.4 | 175.7 | -76.6 | -19.5 | 0 | 0 | 0 | 110.6 | I1153 M1157 R1162 | I1153-D1164 HydrophobicContact CD1-CB 4.19Å; M1157-D1164 HydrophobicContact CE-CB 4.01Å; M1157-D1164 WeakPolarHBondContact CE-OD2 3.24Å; M1157-D1164 VanDerWaalsContact SD-OD2 3.41Å; R1162-D1164 IonicContact CZ-OD2 2.83Å; R1162-D1164 VanDerWaalsContact CZ-OD2 3.28Å; R1162-D1164 IonicContact NE-OD1 3.33Å; R1162-D1164 PolarHBondContact NE-OD1 3.33Å; R1162-D1164 IonicContact NE-OD2 3.49Å; R1162-D1164 PolarHBondContact NE-OD2 2.85Å; R1162-D1164 IonicContact NH2-OD2 3.99Å; R1162-D1164 PolarHBondContact NH2-OD2 3.08Å; R1162-D1164 PolarHBondContact O-N 3.27Å | ||
| 1165 | C | 64.9 | Low | 57.7 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -88.5 | 132.4 | 163.2 | -162.2 | 0 | 0 | 0 | 0 | 115.1 | C1147 S1149 Q1163 D1167 A1168 S1169 D1170 | C1147-C1165 WeakPolarHBondContact CA-SG 3.36Å; C1147-C1165 HydrophobicContact CB-CB 4.32Å; C1147-C1165 WeakPolarHBondContact CB-SG 3.35Å; C1147-C1165 WeakPolarHBondContact SG-CA 3.11Å; C1147-C1165 WeakPolarHBondContact SG-CB 3.38Å; C1147-C1165 CovalentContact SG-SG 2.01Å; C1147-C1165 PolarHBondContact SG-SG 3.05Å; S1149-C1165 PolarHBondContact OG-SG 2.94Å; Q1163-C1165 WeakPolarHBondContact CG-O 3.22Å; Q1163-C1165 PolarHBondContact O-N 2.77Å; C1165-D1167 PolarHBondContact O-N 3.07Å; C1165-A1168 PolarHBondContact O-N 3.13Å; C1165-S1169 PolarHBondContact SG-OG 3.19Å; C1165-D1170 HydrophobicContact CB-CB 4.06Å; C1165-D1170 WeakPolarHBondContact CB-OD2 3.41Å; C1165-D1170 PolarHBondContact N-OD2 3.38Å |
| 1166 | R | 65.5 | Low | 57 | Low | 207 Ų | 207 | 63.9 Ų | 63.9 | 78% | 0.781 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.9 | -179 | -177.4 | 173.1 | 175.7 | -178.4 | -1 | 115.4 | S1149 | S1149-R1166 PolarHBondContact OG-N 3.08Š|
| 1167 | D | 53.1 | Low | 56.4 | Low | 100 Ų | 100 | 62.1 Ų | 62.1 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 26.1 | 175.7 | -167.4 | 43.4 | 0 | 0 | 0 | 111.9 | S1148 C1165 S1169 | S1148-D1167 PolarHBondContact OG-OD2 2.8Å; C1165-D1167 PolarHBondContact O-N 3.07Å; D1167-S1169 PolarHBondContact O-N 2.81Å |
| 1168 | A | 55.3 | Low | 55.7 | Low | 30 Ų | 30 | 59.7 Ų | 59.7 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 58.2 | 6.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1163 C1165 D1170 E1171 T1172 | Q1163-A1168 HydrophobicContact CG-CB 3.7Å; C1165-A1168 PolarHBondContact O-N 3.13Å; A1168-D1170 PolarHBondContact O-N 3.03Å; A1168-D1170 VanDerWaalsContact O-N 3.13Å; A1168-E1171 CarbonylContact O-C 3.51Å; A1168-E1171 WeakPolarHBondContact O-CA 3.42Å; A1168-E1171 WeakPolarHBondContact O-CB 3.2Å; A1168-E1171 PolarHBondContact O-N 3.44Å; A1168-T1172 PolarHBondContact O-N 3.33Å |
| 1169 | S | 61.2 | Low | 55.6 | Low | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -62.4 | -29.9 | -166.4 | -16.1 | 0 | 0 | 0 | 0 | 114.2 | Y1145 S1148 C1165 D1167 E1171 T1172 | Y1145-S1169 PolarHBondContact OH-O 2.93Å; S1148-S1169 WeakPolarHBondContact CA-OG 3.28Å; S1148-S1169 WeakPolarHBondContact CB-OG 3.25Å; S1148-S1169 VanDerWaalsContact N-CB 3.26Å; S1148-S1169 PolarHBondContact N-OG 3.06Å; S1148-S1169 WeakPolarHBondContact OG-CB 3.43Å; S1148-S1169 PolarHBondContact OG-OG 3.14Å; C1165-S1169 PolarHBondContact SG-OG 3.19Å; D1167-S1169 PolarHBondContact O-N 2.81Å; S1169-E1171 VanDerWaalsContact C-N 3.3Å; S1169-T1172 WeakPolarHBondContact CA-OG1 3.34Å; S1169-T1172 PolarHBondContact O-N 2.79Å; S1169-T1172 PolarHBondContact O-OG1 2.75Å |
| 1170 | D | 64.4 | Low | 55 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -69.1 | -31.7 | 175.7 | 82.3 | 86.5 | 0 | 0 | 0 | 111.7 | Y1145 I1153 R1158 C1159 C1165 A1168 T1172 C1174 | Y1145-D1170 HydrophobicContact CD1-CB 3.86Å; Y1145-D1170 VanDerWaalsContact CE1-CA 3.48Å; Y1145-D1170 HydrophobicContact CE1-CB 3.74Å; I1153-D1170 HydrophobicContact CD1-CB 3.64Å; R1158-D1170 CarbonylContact C-O 3.55Å; R1158-D1170 HydrophobicContact CG-CB 4.15Å; R1158-D1170 WeakPolarHBondContact CG-O 3.35Å; C1159-D1170 PolarHBondContact N-O 3.28Å; C1159-D1170 PolarHBondContact SG-O 3.39Å; C1165-D1170 HydrophobicContact CB-CB 4.06Å; C1165-D1170 WeakPolarHBondContact CB-OD2 3.41Å; C1165-D1170 PolarHBondContact N-OD2 3.38Å; A1168-D1170 PolarHBondContact O-N 3.03Å; A1168-D1170 VanDerWaalsContact O-N 3.13Å; D1170-T1172 PolarHBondContact O-N 2.6Å; D1170-C1174 PolarHBondContact O-SG 3.3Å |
| 1171 | E | 65.3 | Low | 54.3 | Low | 63 Ų | 63 | 61.4 Ų | 61.4 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -78.2 | 4.9 | 167.9 | -63.5 | -71.3 | 139.9 | 0 | 0 | 113 | C1159 D1160 G1161 R1162 A1168 S1169 | C1159-E1171 VanDerWaalsContact C-OE1 3.24Å; C1159-E1171 WeakPolarHBondContact CA-OE1 3.33Å; C1159-E1171 VanDerWaalsContact SG-CA 3.59Å; D1160-E1171 PolarHBondContact N-OE1 3.05Å; G1161-E1171 VanDerWaalsContact CA-OE1 3.31Å; G1161-E1171 WeakPolarHBondContact CA-OE1 3.3Å; G1161-E1171 PolarHBondContact N-OE1 3.09Å; R1162-E1171 PolarHBondContact N-OE1 2.9Å; R1162-E1171 WeakPolarHBondContact O-CG 3.16Å; A1168-E1171 CarbonylContact O-C 3.51Å; A1168-E1171 WeakPolarHBondContact O-CA 3.42Å; A1168-E1171 WeakPolarHBondContact O-CB 3.2Å; A1168-E1171 PolarHBondContact O-N 3.44Å; S1169-E1171 VanDerWaalsContact C-N 3.3Å |
| 1172 | T | 52.5 | Low | 54.5 | Low | 75 Ų | 75 | 58.4 Ų | 58.4 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -108.5 | 127.4 | 177.3 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | R1158 A1168 S1169 D1170 C1174 | R1158-T1172 PolarHBondContact NH2-O 3Å; A1168-T1172 PolarHBondContact O-N 3.33Å; S1169-T1172 WeakPolarHBondContact CA-OG1 3.34Å; S1169-T1172 PolarHBondContact O-N 2.79Å; S1169-T1172 PolarHBondContact O-OG1 2.75Å; D1170-T1172 PolarHBondContact O-N 2.6Å; T1172-C1174 VanDerWaalsContact C-N 3.26Å; T1172-C1174 PolarHBondContact O-N 2.67Å |
| 1173 | G | 44.8 | Very low | 55 | Low | 65 Ų | 65 | 53.2 Ų | 53.2 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 65.2 | 24.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1158 | R1158-G1173 PolarHBondContact NH1-O 3.24Å; R1158-G1173 VanDerWaalsContact NH1-O 3.13Å; R1158-G1173 PolarHBondContact NH2-O 2.92Å |
| 1174 | C | 51 | Low | 55.3 | Low | 21 Ų | 21 | 47.4 Ų | 47.4 | 14% | 0.142 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -77.8 | 142.1 | 141.4 | -17.8 | 0 | 0 | 0 | 0 | 106 | R1158 C1159 D1170 T1172 P1176 | R1158-C1174 VanDerWaalsContact C-SG 3.58Å; R1158-C1174 VanDerWaalsContact CG-SG 3.6Å; C1159-C1174 HydrophobicContact CB-CB 3.69Å; C1159-C1174 WeakPolarHBondContact CB-SG 2.98Å; C1159-C1174 WeakPolarHBondContact SG-CB 3.38Å; C1159-C1174 CovalentContact SG-SG 2.02Å; C1159-C1174 PolarHBondContact SG-SG 2.82Å; D1170-C1174 PolarHBondContact O-SG 3.3Å; T1172-C1174 VanDerWaalsContact C-N 3.26Å; T1172-C1174 PolarHBondContact O-N 2.67Å; C1174-P1176 WeakPolarHBondContact O-CD 3.43Å |
| 1175 | P | 41.6 | Very low | 55.6 | Low | 67 Ų | 67 | 44.7 Ų | 44.7 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | trans | -62 | 130.2 | 161.6 | 28.6 | -31.8 | 0 | 0 | 0 | 107.8 | E1095 T1096 | E1095-P1175 HydrophobicContact CB-CB 4.13Å; E1095-P1175 WeakPolarHBondContact O-CB 3.37Å; T1096-P1175 HydrophobicContact CG2-CB 4.39Å; T1096-P1175 HydrophobicContact CG2-CG 4.32Å | ||
| 1176 | P | 47.8 | Very low | 55.5 | Low | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -36.1 | 157.6 | 167.3 | -41.4 | 40.6 | 0 | 0 | 0 | 117.3 | R1086 Q1087 A1092 S1093 E1095 T1096 C1174 | R1086-P1176 WeakPolarHBondContact O-CG 3.36Å; Q1087-P1176 HydrophobicContact CB-CB 3.46Å; Q1087-P1176 VanDerWaalsContact CB-CB 3.46Å; Q1087-P1176 HydrophobicContact CB-CG 3.55Å; A1092-P1176 VanDerWaalsContact CB-CA 3.44Å; A1092-P1176 HydrophobicContact CB-CB 3.63Å; A1092-P1176 WeakPolarHBondContact O-CB 3.21Å; S1093-P1176 CarbonylContact C-O 3.48Å; S1093-P1176 WeakPolarHBondContact CA-O 3.48Å; S1093-P1176 PolarHBondContact N-O 2.77Å; E1095-P1176 HydrophobicContact CB-CB 4.46Å; E1095-P1176 HydrophobicContact CB-CG 4.34Å; E1095-P1176 HydrophobicContact CG-CB 4.19Å; E1095-P1176 HydrophobicContact CG-CG 3.97Å; T1096-P1176 WeakPolarHBondContact CG2-O 3.46Å; C1174-P1176 WeakPolarHBondContact O-CD 3.43Å | ||
| 1177 | R | 49.4 | Very low | 55.2 | Low | 106 Ų | 106 | 38.4 Ų | 38.4 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | trans | -110 | -15.9 | -179.4 | -170.6 | -148.5 | -73.7 | 95.1 | 2.4 | 127.5 | D1091 A1092 S1093 C1159 | D1091-R1177 CarbonylContact O-C 3.57Å; D1091-R1177 VanDerWaalsContact O-CB 3.27Å; D1091-R1177 WeakPolarHBondContact O-CB 3.44Å; D1091-R1177 VanDerWaalsContact OD1-CD 3.23Å; D1091-R1177 WeakPolarHBondContact OD1-CD 3.28Å; D1091-R1177 WeakPolarHBondContact OD1-CG 3.33Å; A1092-R1177 VanDerWaalsContact C-CA 3.47Å; A1092-R1177 VanDerWaalsContact CA-C 3.43Å; A1092-R1177 VanDerWaalsContact CA-CA 3.4Å; A1092-R1177 HydrophobicContact CB-CB 3.98Å; S1093-R1177 VanDerWaalsContact CB-CA 3.47Å; S1093-R1177 WeakPolarHBondContact CB-O 3.42Å; S1093-R1177 VanDerWaalsContact N-CA 3.29Å; S1093-R1177 WeakPolarHBondContact OG-CA 3.33Å; S1093-R1177 PolarHBondContact OG-O 2.97Å; C1159-R1177 VanDerWaalsContact O-CZ 3.23Å; C1159-R1177 PolarHBondContact O-NH1 2.92Å; C1159-R1177 PolarHBondContact O-NH2 3.31Å | ||
| 1178 | C | 48.3 | Very low | 55.6 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -38.8 | 92 | 151.6 | -43.6 | 0 | 0 | 0 | 0 | 113.3 | Q1087 D1088 C1089 D1091 A1092 S1093 D1094 Q1182 C1190 | Q1087-C1178 PolarHBondContact O-SG 3.41Å; D1088-C1178 WeakPolarHBondContact CA-SG 3.5Å; D1088-C1178 PolarHBondContact N-SG 2.92Å; C1089-C1178 VanDerWaalsContact CA-CB 3.48Å; C1089-C1178 VanDerWaalsContact CB-C 3.48Å; C1089-C1178 VanDerWaalsContact CB-CA 3.48Å; C1089-C1178 HydrophobicContact CB-CB 3.17Å; C1089-C1178 PolarHBondContact N-SG 2.91Å; D1091-C1178 HydrophobicContact CB-CB 4.45Å; D1091-C1178 PolarHBondContact N-SG 3.39Å; D1091-C1178 PolarHBondContact O-N 2.88Å; D1091-C1178 PolarHBondContact OD1-N 2.82Å; A1092-C1178 VanDerWaalsContact CA-CB 3.4Å; A1092-C1178 WeakPolarHBondContact CA-SG 3.46Å; A1092-C1178 PolarHBondContact N-SG 2.81Å; A1092-C1178 WeakPolarHBondContact O-CB 3.45Å; A1092-C1178 PolarHBondContact O-SG 2.95Å; S1093-C1178 CarbonylContact C-O 3.51Å; S1093-C1178 WeakPolarHBondContact CA-O 3.34Å; S1093-C1178 VanDerWaalsContact CB-N 3.28Å; S1093-C1178 WeakPolarHBondContact CB-O 3.43Å; S1093-C1178 PolarHBondContact N-O 2.83Å; D1094-C1178 PolarHBondContact N-O 3.33Å; C1178-Q1182 WeakPolarHBondContact O-CG 3.41Å; C1178-C1190 CovalentContact SG-SG 2.23Å; C1178-C1190 PolarHBondContact SG-SG 3.32Å |
| 1179 | R | 49 | Very low | 55.6 | Low | 98 Ų | 98 | 39.5 Ų | 39.5 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | trans | -61.6 | -170 | -139.3 | -76.5 | -173.6 | -164.1 | 65.3 | 15 | 123.2 | S1072 D1091 G1181 Q1182 | S1072-R1179 VanDerWaalsContact CB-CD 3.49Å; S1072-R1179 VanDerWaalsContact OG-CB 3.28Å; S1072-R1179 WeakPolarHBondContact OG-CB 3.11Å; S1072-R1179 WeakPolarHBondContact OG-CD 3.42Å; S1072-R1179 WeakPolarHBondContact OG-CG 3.28Å; S1072-R1179 PolarHBondContact OG-NH1 2.91Å; D1091-R1179 IonicContact OD1-CZ 2.73Å; D1091-R1179 IonicContact OD1-NH1 2.79Å; D1091-R1179 IonicContact OD1-NH2 3.79Å; D1091-R1179 PolarHBondContact OD1-NH2 2.93Å; D1091-R1179 IonicContact OD2-CZ 3.58Å; D1091-R1179 VanDerWaalsContact OD2-CZ 3.25Å; D1091-R1179 IonicContact OD2-NH1 2.81Å; D1091-R1179 PolarHBondContact OD2-NH1 2.79Å; D1091-R1179 IonicContact OD2-NH2 3.71Å; D1091-R1179 PolarHBondContact OD2-NH2 3.08Å; R1179-G1181 PolarHBondContact O-N 2.69Å; R1179-Q1182 WeakPolarHBondContact O-CG 3.36Å | ||
| 1180 | P | 47.6 | Very low | 55.9 | Low | 80 Ų | 80 | 41.3 Ų | 41.3 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -38.2 | 59.7 | 156.7 | -41.9 | 34.2 | 0 | 0 | 0 | 118.9 | Y1069 Q1070 | Y1069-P1180 WeakPolarHBondContact CD2-O 3.29Å; Y1069-P1180 VanDerWaalsContact CE2-CA 3.44Å; Y1069-P1180 HydrophobicContact CE2-CB 4.06Å; Y1069-P1180 VanDerWaalsContact CE2-O 3.28Å; Y1069-P1180 WeakPolarHBondContact CE2-O 3.41Å; Q1070-P1180 PolarHBondContact N-O 3.26Å; Q1070-P1180 CarbonylContact O-C 3.56Å |
| 1181 | G | 47.3 | Very low | 55.6 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -157.6 | -6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y1069 Q1070 I1077 R1179 Q1193 | Y1069-G1181 CarbonylContact C-O 3.36Å; Y1069-G1181 WeakPolarHBondContact CD1-O 3.34Å; Y1069-G1181 VanDerWaalsContact CE1-CA 3.44Å; Y1069-G1181 CarbonylContact O-C 3.54Å; Y1069-G1181 VanDerWaalsContact O-CA 3.31Å; Y1069-G1181 WeakPolarHBondContact O-CA 3.41Å; Y1069-G1181 PolarHBondContact OH-N 2.78Å; Q1070-G1181 WeakPolarHBondContact O-CA 3.45Å; Q1070-G1181 PolarHBondContact O-N 3.45Å; I1077-G1181 CarbonylContact C-O 3.51Å; I1077-G1181 WeakPolarHBondContact CA-O 3.41Å; I1077-G1181 WeakPolarHBondContact CB-O 3.29Å; I1077-G1181 PolarHBondContact N-O 2.87Å; R1179-G1181 PolarHBondContact O-N 2.69Å; G1181-Q1193 PolarHBondContact O-OE1 2.92Å |
| 1182 | Q | 64.6 | Low | 55.1 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -132.2 | 176.6 | -135.1 | -56.1 | -56.6 | -108.5 | 0 | 0 | 117.7 | C1071 D1088 C1089 D1094 C1178 R1179 Q1193 | C1071-Q1182 VanDerWaalsContact CA-NE2 3.31Å; C1071-Q1182 VanDerWaalsContact CA-OE1 3.31Å; C1071-Q1182 VanDerWaalsContact N-NE2 3.18Å; C1071-Q1182 PolarHBondContact SG-OE1 2.03Å; D1088-Q1182 HydrophobicContact CB-CB 4.31Å; D1088-Q1182 WeakPolarHBondContact O-CB 3.33Å; D1088-Q1182 WeakPolarHBondContact O-CG 3.02Å; D1088-Q1182 PolarHBondContact O-OE1 3.42Å; C1089-Q1182 HydrophobicContact CB-CG 3.74Å; C1089-Q1182 PolarHBondContact SG-OE1 3.11Å; D1094-Q1182 HydrophobicContact CB-CB 4.17Å; D1094-Q1182 VanDerWaalsContact OD1-C 3.23Å; D1094-Q1182 VanDerWaalsContact OD1-O 3.07Å; C1178-Q1182 WeakPolarHBondContact O-CG 3.41Å; R1179-Q1182 WeakPolarHBondContact O-CG 3.36Å; Q1182-Q1193 PolarHBondContact O-NE2 2.54Å; Q1182-Q1193 PolarHBondContact O-OE1 2.03Å | ||
| 1183 | Y | 64.3 | Low | 55.7 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -170.7 | 121.1 | -173.7 | 156.4 | -70.6 | 0 | 0 | 0 | 116.5 | Q1080 M1081 D1088 D1094 Q1193 R1196 S1207 D1208 | Q1080-Y1183 VanDerWaalsContact C-CD2 3.45Å; Q1080-Y1183 HydrophobicContact CB-CD2 4.04Å; Q1080-Y1183 HydrophobicContact CB-CE2 3.97Å; Q1080-Y1183 HydrophobicContact CG-CD2 4.48Å; Q1080-Y1183 HydrophobicContact CG-CE2 4.48Å; M1081-Y1183 HydrophobicContact CB-CD2 3.38Å; M1081-Y1183 HydrophobicContact CB-CE2 3.28Å; M1081-Y1183 HydrophobicContact CB-CG 3.82Å; M1081-Y1183 HydrophobicContact CE-CD1 3.68Å; M1081-Y1183 HydrophobicContact CE-CE1 3Å; M1081-Y1183 HydrophobicContact CE-CE2 4.12Å; M1081-Y1183 HydrophobicContact CE-CG 4.38Å; M1081-Y1183 WeakPolarHBondContact CE-OH 3.37Å; M1081-Y1183 HydrophobicContact CG-CD1 3.74Å; M1081-Y1183 HydrophobicContact CG-CD2 3.45Å; M1081-Y1183 VanDerWaalsContact CG-CD2 3.45Å; M1081-Y1183 HydrophobicContact CG-CE1 3.8Å; M1081-Y1183 HydrophobicContact CG-CE2 3.36Å; M1081-Y1183 HydrophobicContact CG-CG 3.37Å; M1081-Y1183 VanDerWaalsContact CG-CZ 3.46Å; M1081-Y1183 HydrophobicContact SD-CD1 4.25Å; M1081-Y1183 HydrophobicContact SD-CD2 4.32Å; M1081-Y1183 HydrophobicContact SD-CE1 3.69Å; M1081-Y1183 HydrophobicContact SD-CE2 3.64Å; M1081-Y1183 HydrophobicContact SD-CG 4.39Å; M1081-Y1183 PolarHBondContact SD-OH 3.5Å; D1088-Y1183 WeakPolarHBondContact CB-O 3.34Å; D1088-Y1183 VanDerWaalsContact CG-C 3.44Å; D1094-Y1183 VanDerWaalsContact CG-N 3.26Å; D1094-Y1183 WeakPolarHBondContact OD1-CA 3.46Å; D1094-Y1183 PolarHBondContact OD1-N 3.22Å; D1094-Y1183 WeakPolarHBondContact OD2-CA 3.1Å; D1094-Y1183 PolarHBondContact OD2-N 3.07Å; Y1183-Q1193 HydrophobicContact CD1-CG 3.68Å; Y1183-Q1193 HydrophobicContact CD2-CG 3.21Å; Y1183-Q1193 HydrophobicContact CE2-CG 4.27Å; Y1183-Q1193 HydrophobicContact CG-CB 4.34Å; Y1183-Q1193 HydrophobicContact CG-CG 3.1Å; Y1183-R1196 HydrophobicContact CD1-CB 4.35Å; Y1183-R1196 HydrophobicContact CD2-CB 4.25Å; Y1183-R1196 HydrophobicContact CD2-CG 4.42Å; Y1183-R1196 HydrophobicContact CE1-CB 3.72Å; Y1183-R1196 HydrophobicContact CE1-CG 3.87Å; Y1183-R1196 HydrophobicContact CE2-CB 3.78Å; Y1183-R1196 HydrophobicContact CE2-CG 3.49Å; Y1183-R1196 VanDerWaalsContact CE2-CG 3.49Å; Y1183-R1196 VanDerWaalsContact CE2-NE 3.26Å; Y1183-R1196 VanDerWaalsContact CZ-CD 3.42Å; Y1183-R1196 VanDerWaalsContact CZ-NE 3.34Å; Y1183-R1196 VanDerWaalsContact OH-CD 3.31Å; Y1183-R1196 WeakPolarHBondContact OH-CD 3.47Å; Y1183-R1196 WeakPolarHBondContact OH-CG 3.49Å; Y1183-R1196 PolarHBondContact OH-NE 3.26Å; Y1183-R1196 PolarHBondContact OH-NH2 2.78Å; Y1183-S1207 PolarHBondContact OH-O 2.79Å; Y1183-D1208 HydrophobicContact CE1-CB 3.89Å; Y1183-D1208 WeakPolarHBondContact OH-CA 3.19Å | ||
| 1184 | Q | 66.5 | Low | 56.5 | Low | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | trans | -100.5 | 123.2 | -175.9 | -177.8 | 178.6 | 84.7 | 0 | 0 | 117.8 | M1081 R1086 Q1087 D1088 D1094 G1188 E1189 | M1081-Q1184 WeakPolarHBondContact CE-O 3.28Å; M1081-Q1184 WeakPolarHBondContact CG-O 3.49Å; M1081-Q1184 VanDerWaalsContact SD-O 3.38Å; R1086-Q1184 HydrophobicContact CB-CB 3.46Å; R1086-Q1184 VanDerWaalsContact CB-CB 3.46Å; R1086-Q1184 HydrophobicContact CB-CG 3.6Å; R1086-Q1184 PolarHBondContact NE-O 3.18Å; R1086-Q1184 PolarHBondContact NH2-O 3.25Å; Q1087-Q1184 VanDerWaalsContact C-CB 3.46Å; Q1087-Q1184 VanDerWaalsContact N-NE2 3.13Å; Q1087-Q1184 PolarHBondContact O-NE2 2.83Å; D1088-Q1184 HydrophobicContact CB-CB 3.98Å; D1094-Q1184 PolarHBondContact OD2-N 2.84Å; Q1184-G1188 VanDerWaalsContact CD-C 3.46Å; Q1184-G1188 VanDerWaalsContact CD-CA 3.45Å; Q1184-G1188 PolarHBondContact NE2-O 3.35Å; Q1184-G1188 VanDerWaalsContact NE2-O 3.13Å; Q1184-E1189 VanDerWaalsContact CD-O 3.31Å; Q1184-E1189 WeakPolarHBondContact CG-O 3.44Å; Q1184-E1189 PolarHBondContact NE2-O 2.8Å | ||
| 1185 | C | 63 | Low | 56.9 | Low | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -28 | 129.6 | 153.8 | 178.6 | 0 | 0 | 0 | 0 | 119.3 | R1086 S1187 G1188 E1189 I1191 C1203 | R1086-C1185 VanDerWaalsContact NE-C 3.32Å; R1086-C1185 PolarHBondContact NE-O 3.06Å; R1086-C1185 VanDerWaalsContact NE-O 3.16Å; C1185-S1187 PolarHBondContact O-N 3.39Å; C1185-S1187 PolarHBondContact SG-OG 3.22Å; C1185-G1188 PolarHBondContact O-N 3.11Å; C1185-E1189 HydrophobicContact CB-CB 4.31Å; C1185-I1191 HydrophobicContact CB-CG1 4.29Å; C1185-C1203 WeakPolarHBondContact CA-SG 3.42Å; C1185-C1203 HydrophobicContact CB-CB 3.86Å; C1185-C1203 WeakPolarHBondContact CB-SG 3.28Å; C1185-C1203 WeakPolarHBondContact SG-CA 3.42Å; C1185-C1203 WeakPolarHBondContact SG-CB 3.2Å; C1185-C1203 CovalentContact SG-SG 2.03Å; C1185-C1203 PolarHBondContact SG-SG 2.85Å | ||
| 1186 | S | 63.6 | Low | 57.5 | Low | 29 Ų | 29 | 34.2 Ų | 34.2 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26 | 175.9 | 45.7 | 0 | 0 | 0 | 0 | 115.9 | R1086 C1203 D1205 S1207 | R1086-S1186 VanDerWaalsContact NE-CA 3.32Å; S1186-C1203 PolarHBondContact N-SG 2.66Å; S1186-D1205 VanDerWaalsContact OG-C 3.26Å; S1186-D1205 WeakPolarHBondContact OG-CB 3.41Å; S1186-D1205 PolarHBondContact OG-O 2.91Å; S1186-D1205 PolarHBondContact OG-OD2 2.05Å; S1186-S1207 VanDerWaalsContact CB-CB 3.45Å; S1186-S1207 VanDerWaalsContact CB-OG 3.3Å; S1186-S1207 WeakPolarHBondContact CB-OG 3.32Å; S1186-S1207 WeakPolarHBondContact OG-CB 3.47Å; S1186-S1207 PolarHBondContact OG-N 2.91Å; S1186-S1207 PolarHBondContact OG-OG 2.71Å |
| 1187 | S | 58.5 | Low | 58.4 | Low | 46 Ų | 46 | 36.2 Ų | 36.2 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -2 | 177 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | C1185 R1204 | C1185-S1187 PolarHBondContact O-N 3.39Å; C1185-S1187 PolarHBondContact SG-OG 3.22Å; S1187-R1204 WeakPolarHBondContact OG-CB 3.18Å; S1187-R1204 PolarHBondContact OG-N 2.77Å; S1187-R1204 VanDerWaalsContact OG-N 3.13Å |
| 1188 | G | 61 | Low | 58.6 | Low | 40 Ų | 40 | 34 Ų | 34 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 95.9 | 23.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q1184 C1185 | Q1184-G1188 VanDerWaalsContact CD-C 3.46Å; Q1184-G1188 VanDerWaalsContact CD-CA 3.45Å; Q1184-G1188 PolarHBondContact NE2-O 3.35Å; Q1184-G1188 VanDerWaalsContact NE2-O 3.13Å; C1185-G1188 PolarHBondContact O-N 3.11Å |
| 1189 | E | 56.9 | Low | 59.3 | Low | 112 Ų | 112 | 37.1 Ų | 37.1 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | trans | -91.4 | 173.4 | -176.8 | -81 | -62.7 | 165.2 | 0 | 0 | 115.1 | Q1184 C1185 I1191 | Q1184-E1189 VanDerWaalsContact CD-O 3.31Å; Q1184-E1189 WeakPolarHBondContact CG-O 3.44Å; Q1184-E1189 PolarHBondContact NE2-O 2.8Å; C1185-E1189 HydrophobicContact CB-CB 4.31Å; E1189-I1191 HydrophobicContact CB-CG2 3.85Å | ||
| 1190 | C | 66.7 | Low | 59.7 | Low | 41 Ų | 41 | 37.9 Ų | 37.9 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | trans | -112.2 | 109.2 | 155.4 | -64.7 | 0 | 0 | 0 | 0 | 107.8 | Q1087 D1088 C1089 R1090 C1178 | Q1087-C1190 PolarHBondContact O-SG 3Å; D1088-C1190 VanDerWaalsContact C-CB 3.44Å; D1088-C1190 VanDerWaalsContact CA-CB 3.45Å; D1088-C1190 VanDerWaalsContact CA-SG 3.52Å; D1088-C1190 HydrophobicContact CB-CB 4.47Å; D1088-C1190 VanDerWaalsContact OD1-CA 3.24Å; D1088-C1190 WeakPolarHBondContact OD1-CA 3.12Å; C1089-C1190 PolarHBondContact N-SG 3.44Å; R1090-C1190 WeakPolarHBondContact CA-SG 3.02Å; R1090-C1190 PolarHBondContact N-SG 2.69Å; C1178-C1190 CovalentContact SG-SG 2.23Å; C1178-C1190 PolarHBondContact SG-SG 3.32Å | ||
| 1191 | I | 58.6 | Low | 60.4 | Low | 20 Ų | 20 | 40.2 Ų | 40.2 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -113.1 | -120.4 | -172.3 | 62.7 | 143.7 | 0 | 0 | 0 | 116.7 | I1077 D1088 C1185 E1189 M1195 D1208 | I1077-I1191 WeakPolarHBondContact CD1-O 3.39Å; D1088-I1191 VanDerWaalsContact OD1-CG1 3.28Å; D1088-I1191 WeakPolarHBondContact OD1-CG1 3.48Å; D1088-I1191 PolarHBondContact OD1-N 3.46Å; D1088-I1191 WeakPolarHBondContact OD2-CA 3.36Å; D1088-I1191 PolarHBondContact OD2-N 3.16Å; C1185-I1191 HydrophobicContact CB-CG1 4.29Å; E1189-I1191 HydrophobicContact CB-CG2 3.85Å; I1191-M1195 HydrophobicContact CD1-CB 4.35Å; I1191-M1195 VanDerWaalsContact CD1-O 3.25Å; I1191-M1195 WeakPolarHBondContact CD1-O 3.04Å; I1191-D1208 HydrophobicContact CD1-CB 4.27Å | ||
| 1192 | E | 54.1 | Low | 60.8 | Low | 30 Ų | 30 | 43 Ų | 43 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -154.1 | -6.4 | -161.2 | -95.1 | -91.7 | 103.5 | 0 | 0 | 122.1 | C1076 I1077 Q1194 M1195 | C1076-E1192 PolarHBondContact N-OE1 3.37Å; I1077-E1192 WeakPolarHBondContact CA-O 3.11Å; I1077-E1192 WeakPolarHBondContact CB-O 3.4Å; E1192-Q1194 VanDerWaalsContact C-N 3.27Å; E1192-Q1194 HydrophobicContact CB-CG 4.29Å; E1192-Q1194 WeakPolarHBondContact O-CA 3.44Å; E1192-Q1194 VanDerWaalsContact O-CG 3.22Å; E1192-Q1194 WeakPolarHBondContact O-CG 3.19Å; E1192-Q1194 PolarHBondContact O-N 2.9Å; E1192-Q1194 PolarHBondContact OE1-NE2 3.45Å; E1192-Q1194 WeakPolarHBondContact OE2-CG 2.98Å; E1192-Q1194 PolarHBondContact OE2-NE2 3.19Å; E1192-M1195 VanDerWaalsContact C-N 3.29Å; E1192-M1195 HydrophobicContact CB-CB 3.6Å; E1192-M1195 HydrophobicContact CB-CE 3.44Å; E1192-M1195 VanDerWaalsContact CB-CE 3.44Å; E1192-M1195 HydrophobicContact CB-CG 3.68Å; E1192-M1195 HydrophobicContact CB-SD 3.24Å; E1192-M1195 WeakPolarHBondContact CB-SD 3.32Å; E1192-M1195 HydrophobicContact CG-CE 3.92Å; E1192-M1195 HydrophobicContact CG-SD 3.67Å; E1192-M1195 PolarHBondContact O-N 3.47Å | ||
| 1193 | Q | 65.7 | Low | 60.8 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 38.1 | -40.7 | 176.6 | -90.6 | 155.7 | -31.3 | 0 | 0 | 123.3 | I1077 E1078 G1181 Q1182 Y1183 M1195 R1196 | I1077-Q1193 VanDerWaalsContact C-CD 3.47Å; I1077-Q1193 VanDerWaalsContact CA-OE1 3.28Å; I1077-Q1193 HydrophobicContact CB-CB 3.87Å; I1077-Q1193 HydrophobicContact CB-CG 4.38Å; I1077-Q1193 HydrophobicContact CG2-CB 3.41Å; I1077-Q1193 VanDerWaalsContact CG2-CB 3.41Å; I1077-Q1193 HydrophobicContact CG2-CG 3.62Å; I1077-Q1193 PolarHBondContact O-OE1 3.08Å; E1078-Q1193 VanDerWaalsContact C-CG 3.43Å; E1078-Q1193 VanDerWaalsContact CA-CB 3.47Å; E1078-Q1193 HydrophobicContact CB-CB 3.85Å; E1078-Q1193 HydrophobicContact CB-CG 4.49Å; E1078-Q1193 WeakPolarHBondContact O-CG 3.09Å; E1078-Q1193 PolarHBondContact O-NE2 3.35Å; E1078-Q1193 VanDerWaalsContact O-NE2 3.12Å; G1181-Q1193 PolarHBondContact O-OE1 2.92Å; Q1182-Q1193 PolarHBondContact O-NE2 2.54Å; Q1182-Q1193 PolarHBondContact O-OE1 2.03Å; Y1183-Q1193 HydrophobicContact CD1-CG 3.68Å; Y1183-Q1193 HydrophobicContact CD2-CG 3.21Å; Y1183-Q1193 HydrophobicContact CE2-CG 4.27Å; Y1183-Q1193 HydrophobicContact CG-CB 4.34Å; Y1183-Q1193 HydrophobicContact CG-CG 3.1Å; Q1193-M1195 VanDerWaalsContact N-N 3.18Å; Q1193-M1195 PolarHBondContact N-O 3.35Å; Q1193-M1195 CarbonylContact O-C 3.52Å; Q1193-M1195 PolarHBondContact O-N 3.28Å; Q1193-R1196 VanDerWaalsContact CA-N 3.29Å; Q1193-R1196 HydrophobicContact CB-CB 4.46Å; Q1193-R1196 HydrophobicContact CG-CB 4.43Å; Q1193-R1196 WeakPolarHBondContact O-CA 3.42Å; Q1193-R1196 WeakPolarHBondContact O-CB 3.29Å; Q1193-R1196 PolarHBondContact O-N 3.3Å |
| 1194 | Q | 61.1 | Low | 60.8 | Low | 41 Ų | 41 | 53.5 Ų | 53.5 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -9.1 | 138.3 | 83.3 | 171.2 | -66.2 | 0 | 0 | 111.4 | Q1068 C1076 E1078 E1192 D1198 | Q1068-Q1194 HydrophobicContact CB-CB 4.45Å; Q1068-Q1194 VanDerWaalsContact CD-OE1 3.27Å; Q1068-Q1194 HydrophobicContact CG-CB 3.69Å; C1076-Q1194 WeakPolarHBondContact O-CG 3.34Å; C1076-Q1194 PolarHBondContact O-NE2 3.02Å; E1078-Q1194 HydrophobicContact CG-CB 4.33Å; E1192-Q1194 VanDerWaalsContact C-N 3.27Å; E1192-Q1194 HydrophobicContact CB-CG 4.29Å; E1192-Q1194 WeakPolarHBondContact O-CA 3.44Å; E1192-Q1194 VanDerWaalsContact O-CG 3.22Å; E1192-Q1194 WeakPolarHBondContact O-CG 3.19Å; E1192-Q1194 PolarHBondContact O-N 2.9Å; E1192-Q1194 PolarHBondContact OE1-NE2 3.45Å; E1192-Q1194 WeakPolarHBondContact OE2-CG 2.98Å; E1192-Q1194 PolarHBondContact OE2-NE2 3.19Å; Q1194-D1198 WeakPolarHBondContact O-CB 3.38Å; Q1194-D1198 VanDerWaalsContact O-OD2 3.13Å |
| 1195 | M | 60.7 | Low | 60.5 | Low | 24 Ų | 24 | 58 Ų | 58 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 56.5 | 155.4 | -66.1 | 156.7 | 34.7 | 0 | 0 | 110.8 | I1191 E1192 Q1193 R1200 D1202 D1208 | I1191-M1195 HydrophobicContact CD1-CB 4.35Å; I1191-M1195 VanDerWaalsContact CD1-O 3.25Å; I1191-M1195 WeakPolarHBondContact CD1-O 3.04Å; E1192-M1195 VanDerWaalsContact C-N 3.29Å; E1192-M1195 HydrophobicContact CB-CB 3.6Å; E1192-M1195 HydrophobicContact CB-CE 3.44Å; E1192-M1195 VanDerWaalsContact CB-CE 3.44Å; E1192-M1195 HydrophobicContact CB-CG 3.68Å; E1192-M1195 HydrophobicContact CB-SD 3.24Å; E1192-M1195 WeakPolarHBondContact CB-SD 3.32Å; E1192-M1195 HydrophobicContact CG-CE 3.92Å; E1192-M1195 HydrophobicContact CG-SD 3.67Å; E1192-M1195 PolarHBondContact O-N 3.47Å; Q1193-M1195 VanDerWaalsContact N-N 3.18Å; Q1193-M1195 PolarHBondContact N-O 3.35Å; Q1193-M1195 CarbonylContact O-C 3.52Å; Q1193-M1195 PolarHBondContact O-N 3.28Å; M1195-R1200 PolarHBondContact SD-NH1 2.88Å; M1195-R1200 PolarHBondContact SD-NH2 2.91Å; M1195-D1202 HydrophobicContact CB-CB 4.13Å; M1195-D1202 HydrophobicContact CE-CB 3.5Å; M1195-D1202 WeakPolarHBondContact CE-OD2 3.28Å; M1195-D1202 WeakPolarHBondContact CG-OD2 3.39Å; M1195-D1202 VanDerWaalsContact SD-OD2 3.37Å; M1195-D1208 WeakPolarHBondContact O-CB 3.37Å |
| 1196 | R | 53.8 | Low | 60.2 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -136.9 | 126.2 | 157 | -177 | -155.5 | -149.7 | 164.6 | 31.1 | 106.3 | Q1080 Y1183 Q1193 D1198 D1208 C1212 | Q1080-R1196 VanDerWaalsContact CB-NH1 3.26Å; Y1183-R1196 HydrophobicContact CD1-CB 4.35Å; Y1183-R1196 HydrophobicContact CD2-CB 4.25Å; Y1183-R1196 HydrophobicContact CD2-CG 4.42Å; Y1183-R1196 HydrophobicContact CE1-CB 3.72Å; Y1183-R1196 HydrophobicContact CE1-CG 3.87Å; Y1183-R1196 HydrophobicContact CE2-CB 3.78Å; Y1183-R1196 HydrophobicContact CE2-CG 3.49Å; Y1183-R1196 VanDerWaalsContact CE2-CG 3.49Å; Y1183-R1196 VanDerWaalsContact CE2-NE 3.26Å; Y1183-R1196 VanDerWaalsContact CZ-CD 3.42Å; Y1183-R1196 VanDerWaalsContact CZ-NE 3.34Å; Y1183-R1196 VanDerWaalsContact OH-CD 3.31Å; Y1183-R1196 WeakPolarHBondContact OH-CD 3.47Å; Y1183-R1196 WeakPolarHBondContact OH-CG 3.49Å; Y1183-R1196 PolarHBondContact OH-NE 3.26Å; Y1183-R1196 PolarHBondContact OH-NH2 2.78Å; Q1193-R1196 VanDerWaalsContact CA-N 3.29Å; Q1193-R1196 HydrophobicContact CB-CB 4.46Å; Q1193-R1196 HydrophobicContact CG-CB 4.43Å; Q1193-R1196 WeakPolarHBondContact O-CA 3.42Å; Q1193-R1196 WeakPolarHBondContact O-CB 3.29Å; Q1193-R1196 PolarHBondContact O-N 3.3Å; R1196-D1198 PolarHBondContact O-N 3.19Å; R1196-D1208 WeakPolarHBondContact CA-O 3.24Å; R1196-D1208 WeakPolarHBondContact CG-O 3.32Å; R1196-C1212 PolarHBondContact NE-SG 2.85Å; R1196-C1212 VanDerWaalsContact NE-SG 3.45Å |
| 1197 | C | 66.2 | Low | 60.2 | Low | 56 Ų | 56 | 58.9 Ų | 58.9 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 50.3 | 33.9 | -173.2 | -4.4 | 0 | 0 | 0 | 0 | 111 | D1208 E1209 C1212 | C1197-D1208 PolarHBondContact N-O 2.9Å; C1197-E1209 VanDerWaalsContact CA-OE1 3.32Å; C1197-E1209 WeakPolarHBondContact CA-OE1 3.49Å; C1197-C1212 HydrophobicContact CB-CB 4.28Å; C1197-C1212 WeakPolarHBondContact CB-SG 3.33Å; C1197-C1212 WeakPolarHBondContact SG-CB 3.45Å; C1197-C1212 CovalentContact SG-SG 2.07Å; C1197-C1212 PolarHBondContact SG-SG 3.34Å |
| 1198 | D | 53.9 | Low | 60.5 | Low | 58 Ų | 58 | 56.7 Ų | 56.7 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -97.5 | -5 | 178.9 | 105.9 | -52.5 | 0 | 0 | 0 | 113.1 | Q1194 R1196 R1200 E1209 | Q1194-D1198 WeakPolarHBondContact O-CB 3.38Å; Q1194-D1198 VanDerWaalsContact O-OD2 3.13Å; R1196-D1198 PolarHBondContact O-N 3.19Å; D1198-R1200 WeakPolarHBondContact OD1-CB 3.35Å; D1198-R1200 PolarHBondContact OD1-N 3.25Å; D1198-R1200 IonicContact OD1-NE 3.29Å; D1198-R1200 IonicContact OD2-CZ 3.75Å; D1198-R1200 IonicContact OD2-NE 2.77Å; D1198-R1200 PolarHBondContact OD2-NE 2.93Å; D1198-R1200 IonicContact OD2-NH2 2.68Å; D1198-R1200 PolarHBondContact OD2-NH2 2.87Å; D1198-E1209 PolarHBondContact N-OE1 2.88Å |
| 1199 | G | 63.5 | Low | 60.9 | Low | 67 Ų | 67 | 58.6 Ų | 58.6 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 93.4 | 5.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1209 | G1199-E1209 WeakPolarHBondContact CA-OE1 3.07Å; G1199-E1209 PolarHBondContact N-OE1 2.7Å |
| 1200 | R | 57.1 | Low | 60.8 | Low | 114 Ų | 114 | 56.7 Ų | 56.7 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | trans | -118.4 | 133.2 | 173.9 | -67.6 | 176.7 | -74.8 | 155 | -10.1 | 111.3 | M1195 D1198 D1202 D1208 | M1195-R1200 PolarHBondContact SD-NH1 2.88Å; M1195-R1200 PolarHBondContact SD-NH2 2.91Å; D1198-R1200 WeakPolarHBondContact OD1-CB 3.35Å; D1198-R1200 PolarHBondContact OD1-N 3.25Å; D1198-R1200 IonicContact OD1-NE 3.29Å; D1198-R1200 IonicContact OD2-CZ 3.75Å; D1198-R1200 IonicContact OD2-NE 2.77Å; D1198-R1200 PolarHBondContact OD2-NE 2.93Å; D1198-R1200 IonicContact OD2-NH2 2.68Å; D1198-R1200 PolarHBondContact OD2-NH2 2.87Å; R1200-D1202 VanDerWaalsContact CB-OD2 3.28Å; R1200-D1202 WeakPolarHBondContact CB-OD2 3.48Å; R1200-D1202 IonicContact CZ-OD2 2.72Å; R1200-D1202 IonicContact NE-OD2 3.78Å; R1200-D1202 IonicContact NH1-OD2 3.18Å; R1200-D1202 PolarHBondContact NH1-OD2 2.89Å; R1200-D1202 PolarHBondContact O-N 2.97Å; R1200-D1208 VanDerWaalsContact O-OD1 3.06Å | ||
| 1201 | Q | 61.8 | Low | 60.1 | Low | 129 Ų | 129 | 57.9 Ų | 57.9 | 60% | 0.603 | 32% | 0.316 | S | S | * | . | trans | -73.9 | 70.3 | 165.6 | -170.9 | -172.1 | -5.8 | 0 | 0 | 109.8 | C1203 R1204 A1206 | Q1201-C1203 WeakPolarHBondContact CG-O 3.42Å; Q1201-C1203 PolarHBondContact NE2-O 3.43Å; Q1201-C1203 VanDerWaalsContact NE2-O 3.1Å; Q1201-R1204 PolarHBondContact NE2-O 2.81Å; Q1201-A1206 HydrophobicContact CG-CB 4.02Å | ||
| 1202 | D | 55.7 | Low | 59.7 | Low | 57 Ų | 57 | 58.5 Ų | 58.5 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | trans | -77.7 | -16.5 | 171.1 | -72.9 | -47.2 | 0 | 0 | 0 | 110.6 | M1195 R1200 | M1195-D1202 HydrophobicContact CB-CB 4.13Å; M1195-D1202 HydrophobicContact CE-CB 3.5Å; M1195-D1202 WeakPolarHBondContact CE-OD2 3.28Å; M1195-D1202 WeakPolarHBondContact CG-OD2 3.39Å; M1195-D1202 VanDerWaalsContact SD-OD2 3.37Å; R1200-D1202 VanDerWaalsContact CB-OD2 3.28Å; R1200-D1202 WeakPolarHBondContact CB-OD2 3.48Å; R1200-D1202 IonicContact CZ-OD2 2.72Å; R1200-D1202 IonicContact NE-OD2 3.78Å; R1200-D1202 IonicContact NH1-OD2 3.18Å; R1200-D1202 PolarHBondContact NH1-OD2 2.89Å; R1200-D1202 PolarHBondContact O-N 2.97Å | ||
| 1203 | C | 64.1 | Low | 59.1 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -90.3 | 125.4 | 166.6 | -166.5 | 0 | 0 | 0 | 0 | 114.3 | C1185 S1186 Q1201 D1205 A1206 D1208 | C1185-C1203 WeakPolarHBondContact CA-SG 3.42Å; C1185-C1203 HydrophobicContact CB-CB 3.86Å; C1185-C1203 WeakPolarHBondContact CB-SG 3.28Å; C1185-C1203 WeakPolarHBondContact SG-CA 3.42Å; C1185-C1203 WeakPolarHBondContact SG-CB 3.2Å; C1185-C1203 CovalentContact SG-SG 2.03Å; C1185-C1203 PolarHBondContact SG-SG 2.85Å; S1186-C1203 PolarHBondContact N-SG 2.66Å; Q1201-C1203 WeakPolarHBondContact CG-O 3.42Å; Q1201-C1203 PolarHBondContact NE2-O 3.43Å; Q1201-C1203 VanDerWaalsContact NE2-O 3.1Å; C1203-D1205 PolarHBondContact O-N 3.1Å; C1203-D1205 VanDerWaalsContact O-N 3.11Å; C1203-A1206 WeakPolarHBondContact O-CA 3.28Å; C1203-A1206 PolarHBondContact O-N 3.38Å; C1203-D1208 HydrophobicContact CB-CB 3.96Å; C1203-D1208 WeakPolarHBondContact CB-OD2 3.2Å; C1203-D1208 PolarHBondContact N-OD2 3.38Å |
| 1204 | R | 64.1 | Low | 58.2 | Low | 222 Ų | 222 | 62.4 Ų | 62.4 | 84% | 0.838 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.3 | -176.5 | -178.6 | 178.9 | 177.1 | -180 | -0.2 | 114.6 | S1187 Q1201 | S1187-R1204 WeakPolarHBondContact OG-CB 3.18Å; S1187-R1204 PolarHBondContact OG-N 2.77Å; S1187-R1204 VanDerWaalsContact OG-N 3.13Å; Q1201-R1204 PolarHBondContact NE2-O 2.81Å |
| 1205 | D | 60.5 | Low | 57.1 | Low | 105 Ų | 105 | 69.1 Ų | 69.1 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 23.3 | 169.9 | -170.7 | 59.3 | 0 | 0 | 0 | 112.2 | S1186 C1203 S1207 | S1186-D1205 VanDerWaalsContact OG-C 3.26Å; S1186-D1205 WeakPolarHBondContact OG-CB 3.41Å; S1186-D1205 PolarHBondContact OG-O 2.91Å; S1186-D1205 PolarHBondContact OG-OD2 2.05Å; C1203-D1205 PolarHBondContact O-N 3.1Å; C1203-D1205 VanDerWaalsContact O-N 3.11Å; D1205-S1207 VanDerWaalsContact C-N 3.25Å; D1205-S1207 PolarHBondContact O-N 2.79Å |
| 1206 | A | 55.9 | Low | 56.5 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | trans | 58.6 | 6.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q1201 C1203 D1208 E1209 T1210 | Q1201-A1206 HydrophobicContact CG-CB 4.02Å; C1203-A1206 WeakPolarHBondContact O-CA 3.28Å; C1203-A1206 PolarHBondContact O-N 3.38Å; A1206-D1208 PolarHBondContact O-N 2.84Å; A1206-D1208 VanDerWaalsContact O-N 3.16Å; A1206-E1209 CarbonylContact O-C 3.49Å; A1206-E1209 WeakPolarHBondContact O-CA 3.43Å; A1206-E1209 PolarHBondContact O-N 2.66Å; A1206-T1210 PolarHBondContact O-N 2.87Å | ||
| 1207 | S | 65.3 | Low | 56.2 | Low | 19 Ų | 19 | 73.6 Ų | 73.6 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 8.7 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 115.8 | M1081 Y1183 S1186 D1205 T1210 | M1081-S1207 WeakPolarHBondContact CE-O 3.27Å; Y1183-S1207 PolarHBondContact OH-O 2.79Å; S1186-S1207 VanDerWaalsContact CB-CB 3.45Å; S1186-S1207 VanDerWaalsContact CB-OG 3.3Å; S1186-S1207 WeakPolarHBondContact CB-OG 3.32Å; S1186-S1207 WeakPolarHBondContact OG-CB 3.47Å; S1186-S1207 PolarHBondContact OG-N 2.91Å; S1186-S1207 PolarHBondContact OG-OG 2.71Å; D1205-S1207 VanDerWaalsContact C-N 3.25Å; D1205-S1207 PolarHBondContact O-N 2.79Å; S1207-T1210 WeakPolarHBondContact CA-OG1 3.06Å; S1207-T1210 WeakPolarHBondContact CB-OG1 3.39Å; S1207-T1210 PolarHBondContact OG-OG1 2.87Å |
| 1208 | D | 64.4 | Low | 55.2 | Low | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22 | 154.2 | 83.1 | 81.6 | 0 | 0 | 0 | 111.6 | Y1183 I1191 M1195 R1196 C1197 R1200 C1203 A1206 | Y1183-D1208 HydrophobicContact CE1-CB 3.89Å; Y1183-D1208 WeakPolarHBondContact OH-CA 3.19Å; I1191-D1208 HydrophobicContact CD1-CB 4.27Å; M1195-D1208 WeakPolarHBondContact O-CB 3.37Å; R1196-D1208 WeakPolarHBondContact CA-O 3.24Å; R1196-D1208 WeakPolarHBondContact CG-O 3.32Å; C1197-D1208 PolarHBondContact N-O 2.9Å; R1200-D1208 VanDerWaalsContact O-OD1 3.06Å; C1203-D1208 HydrophobicContact CB-CB 3.96Å; C1203-D1208 WeakPolarHBondContact CB-OD2 3.2Å; C1203-D1208 PolarHBondContact N-OD2 3.38Å; A1206-D1208 PolarHBondContact O-N 2.84Å; A1206-D1208 VanDerWaalsContact O-N 3.16Å |
| 1209 | E | 68.3 | Low | 54.8 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -106.9 | 12.6 | 172.7 | -69.4 | -65.3 | 167.7 | 0 | 0 | 113.3 | C1197 D1198 G1199 A1206 | C1197-E1209 VanDerWaalsContact CA-OE1 3.32Å; C1197-E1209 WeakPolarHBondContact CA-OE1 3.49Å; D1198-E1209 PolarHBondContact N-OE1 2.88Å; G1199-E1209 WeakPolarHBondContact CA-OE1 3.07Å; G1199-E1209 PolarHBondContact N-OE1 2.7Å; A1206-E1209 CarbonylContact O-C 3.49Å; A1206-E1209 WeakPolarHBondContact O-CA 3.43Å; A1206-E1209 PolarHBondContact O-N 2.66Å |
| 1210 | T | 55.5 | Low | 54.8 | Low | 71 Ų | 71 | 75.4 Ų | 75.4 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -121.8 | 144 | 175 | 84.6 | 0 | 0 | 0 | 0 | 113 | A1206 S1207 C1212 | A1206-T1210 PolarHBondContact O-N 2.87Å; S1207-T1210 WeakPolarHBondContact CA-OG1 3.06Å; S1207-T1210 WeakPolarHBondContact CB-OG1 3.39Å; S1207-T1210 PolarHBondContact OG-OG1 2.87Å; T1210-C1212 PolarHBondContact O-N 2.87Å |
| 1211 | G | 51.2 | Low | 55.1 | Low | 66 Ų | 66 | 72 Ų | 72 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 74.6 | -0.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1213 | G1211-P1213 VanDerWaalsContact O-CD 3.23Å; G1211-P1213 WeakPolarHBondContact O-CD 2.95Å; G1211-P1213 VanDerWaalsContact O-N 3.17Å |
| 1212 | C | 50.2 | Low | 55.5 | Low | 33 Ų | 33 | 70.8 Ų | 70.8 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | trans | -52.2 | 118.5 | 154 | -54.6 | 0 | 0 | 0 | 0 | 107 | R1196 C1197 T1210 | R1196-C1212 PolarHBondContact NE-SG 2.85Å; R1196-C1212 VanDerWaalsContact NE-SG 3.45Å; C1197-C1212 HydrophobicContact CB-CB 4.28Å; C1197-C1212 WeakPolarHBondContact CB-SG 3.33Å; C1197-C1212 WeakPolarHBondContact SG-CB 3.45Å; C1197-C1212 CovalentContact SG-SG 2.07Å; C1197-C1212 PolarHBondContact SG-SG 3.34Å; T1210-C1212 PolarHBondContact O-N 2.87Å | ||
| 1213 | P | 42.6 | Very low | 55.9 | Low | 72 Ų | 72 | 68.1 Ų | 68.1 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | trans | -56.1 | 150.2 | 147.7 | -6.4 | 23.1 | 0 | 0 | 0 | 105.8 | G1211 R1215 | G1211-P1213 VanDerWaalsContact O-CD 3.23Å; G1211-P1213 WeakPolarHBondContact O-CD 2.95Å; G1211-P1213 VanDerWaalsContact O-N 3.17Å; P1213-R1215 HydrophobicContact CB-CG 4.46Å; P1213-R1215 WeakPolarHBondContact O-CB 3.3Å; P1213-R1215 PolarHBondContact O-N 2.76Å | ||
| 1214 | P | 46.8 | Very low | 55.7 | Low | 41 Ų | 41 | 72 Ų | 72 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | trans | -64.7 | 83 | 170.4 | -25.8 | 38.4 | 0 | 0 | 0 | 109.7 | C1216 Q1222 G1226 C1228 | P1214-C1216 PolarHBondContact O-N 3.19Å; P1214-C1216 VanDerWaalsContact O-N 3.11Å; P1214-Q1222 HydrophobicContact CB-CB 4.31Å; P1214-Q1222 HydrophobicContact CB-CG 3.67Å; P1214-Q1222 HydrophobicContact CG-CG 4.2Å; P1214-G1226 WeakPolarHBondContact CG-O 3.32Å; P1214-C1228 HydrophobicContact CB-CB 4.39Å; P1214-C1228 WeakPolarHBondContact CB-SG 3.43Å; P1214-C1228 PolarHBondContact O-SG 3.28Å | ||
| 1215 | R | 38.1 | Very low | 55.5 | Low | 182 Ų | 182 | 63.5 Ų | 63.5 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | trans | -94.4 | 55.1 | -171.4 | -116 | -176.8 | 175.5 | -169.6 | -1.6 | 109.4 | P1213 R1217 | P1213-R1215 HydrophobicContact CB-CG 4.46Å; P1213-R1215 WeakPolarHBondContact O-CB 3.3Å; P1213-R1215 PolarHBondContact O-N 2.76Å; R1215-R1217 PolarHBondContact O-N 2.67Å | ||
| 1216 | C | 47 | Very low | 55.5 | Low | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | trans | -25 | 107.2 | 130.7 | -74 | 0 | 0 | 0 | 0 | 110.8 | P1214 Q1220 Y1221 Q1222 C1228 | P1214-C1216 PolarHBondContact O-N 3.19Å; P1214-C1216 VanDerWaalsContact O-N 3.11Å; C1216-Q1220 HydrophobicContact CB-CB 3.42Å; C1216-Q1220 VanDerWaalsContact CB-CB 3.42Å; C1216-Y1221 PolarHBondContact SG-N 2.87Å; C1216-Y1221 PolarHBondContact SG-O 3.03Å; C1216-Q1222 PolarHBondContact SG-N 3.34Å; C1216-Q1222 VanDerWaalsContact SG-N 3.37Å; C1216-C1228 HydrophobicContact CB-CB 4.27Å; C1216-C1228 WeakPolarHBondContact CB-SG 3.26Å; C1216-C1228 PolarHBondContact N-SG 2.95Å; C1216-C1228 WeakPolarHBondContact SG-CA 3.15Å; C1216-C1228 WeakPolarHBondContact SG-CB 3.41Å; C1216-C1228 CovalentContact SG-SG 2.03Å; C1216-C1228 PolarHBondContact SG-SG 3.36Å | ||
| 1217 | R | 48.9 | Very low | 55.6 | Low | 120 Ų | 120 | 63 Ų | 63 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | trans | -59 | 163.2 | 171.3 | -67.3 | 167.1 | 159.2 | 100.5 | -2 | 109.5 | E1078 R1215 G1219 Q1220 | E1078-R1217 IonicContact OE1-CZ 2.69Å; E1078-R1217 IonicContact OE1-NH1 3.29Å; E1078-R1217 IonicContact OE1-NH2 2.63Å; E1078-R1217 PolarHBondContact OE1-NH2 3Å; E1078-R1217 IonicContact OE2-CZ 3.15Å; E1078-R1217 IonicContact OE2-NH2 2.7Å; E1078-R1217 PolarHBondContact OE2-NH2 2.97Å; R1215-R1217 PolarHBondContact O-N 2.67Å; R1217-G1219 PolarHBondContact O-N 3.49Å; R1217-Q1220 WeakPolarHBondContact O-CA 3.31Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.17Å; R1217-Q1220 PolarHBondContact O-N 3.39Å | ||
| 1218 | P | 45.2 | Very low | 55.3 | Low | 134 Ų | 134 | 64.5 Ų | 64.5 | 87% | 0.87 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 117.4 | 168.7 | -24 | 34.9 | 0 | 0 | 0 | 109.8 | ||
| 1219 | G | 45.6 | Very low | 55.1 | Low | 38 Ų | 38 | 65.3 Ų | 65.3 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.7 | 3.4 | -166 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1217 Q1231 | R1217-G1219 PolarHBondContact O-N 3.49Å; G1219-Q1231 WeakPolarHBondContact O-CB 3.07Å; G1219-Q1231 PolarHBondContact O-N 3.19Å |
| 1220 | Q | 62.5 | Low | 54.5 | Low | 48 Ų | 48 | 65.2 Ų | 65.2 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.1 | 168.5 | -74.4 | 168.4 | -17.6 | 0 | 0 | 111 | C1216 R1217 I1229 E1230 Q1231 | C1216-Q1220 HydrophobicContact CB-CB 3.42Å; C1216-Q1220 VanDerWaalsContact CB-CB 3.42Å; R1217-Q1220 WeakPolarHBondContact O-CA 3.31Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.17Å; R1217-Q1220 PolarHBondContact O-N 3.39Å; Q1220-I1229 CarbonylContact C-O 3.36Å; Q1220-I1229 WeakPolarHBondContact CA-O 3.37Å; Q1220-I1229 WeakPolarHBondContact CB-O 3.31Å; Q1220-E1230 HydrophobicContact CG-CB 4.29Å; Q1220-E1230 HydrophobicContact CG-CG 3.83Å; Q1220-Q1231 WeakPolarHBondContact O-CG 3.19Å; Q1220-Q1231 PolarHBondContact O-NE2 3.29Å |
| 1221 | Y | 64.3 | Low | 54.9 | Low | 43 Ų | 43 | 67.8 Ų | 67.8 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.8 | -177.4 | 161.9 | -91.8 | 0 | 0 | 0 | 111.4 | C1216 I1229 R1234 S1245 D1246 | C1216-Y1221 PolarHBondContact SG-N 2.87Å; C1216-Y1221 PolarHBondContact SG-O 3.03Å; Y1221-I1229 HydrophobicContact CD1-CD1 4.37Å; Y1221-I1229 HydrophobicContact CD1-CG1 4.21Å; Y1221-I1229 PolarHBondContact N-O 2.91Å; Y1221-I1229 PolarHBondContact O-N 3.01Å; Y1221-R1234 HydrophobicContact CD1-CB 3.56Å; Y1221-R1234 HydrophobicContact CD1-CG 3.5Å; Y1221-R1234 HydrophobicContact CD2-CB 4.46Å; Y1221-R1234 VanDerWaalsContact CD2-CD 3.49Å; Y1221-R1234 HydrophobicContact CD2-CG 4.01Å; Y1221-R1234 HydrophobicContact CE1-CB 4.26Å; Y1221-R1234 HydrophobicContact CE1-CG 3.73Å; Y1221-R1234 HydrophobicContact CE2-CG 4.18Å; Y1221-R1234 HydrophobicContact CG-CB 3.68Å; Y1221-R1234 HydrophobicContact CG-CG 3.65Å; Y1221-S1245 PolarHBondContact OH-O 2.83Å; Y1221-D1246 HydrophobicContact CD1-CB 4.1Å; Y1221-D1246 HydrophobicContact CE1-CB 3.59Å |
| 1222 | Q | 69 | Low | 55.2 | Low | 103 Ų | 103 | 68.7 Ų | 68.7 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.4 | -178.1 | 169.7 | 178.3 | -2 | 0 | 0 | 112.1 | P1214 C1216 | P1214-Q1222 HydrophobicContact CB-CB 4.31Å; P1214-Q1222 HydrophobicContact CB-CG 3.67Å; P1214-Q1222 HydrophobicContact CG-CG 4.2Å; C1216-Q1222 PolarHBondContact SG-N 3.34Å; C1216-Q1222 VanDerWaalsContact SG-N 3.37Å |
| 1223 | C | 64.4 | Low | 55.6 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | trans | -83.3 | 145.2 | 176.9 | -117.1 | 0 | 0 | 0 | 0 | 113.1 | S1225 G1226 E1227 C1241 | C1223-S1225 PolarHBondContact O-N 3.23Å; C1223-G1226 PolarHBondContact O-N 3.31Å; C1223-E1227 HydrophobicContact CB-CB 3.71Å; C1223-E1227 HydrophobicContact CB-CG 4.42Å; C1223-E1227 VanDerWaalsContact CB-O 3.23Å; C1223-E1227 WeakPolarHBondContact CB-O 2.91Å; C1223-E1227 PolarHBondContact N-O 2.92Å; C1223-C1241 HydrophobicContact CB-CB 4.28Å; C1223-C1241 WeakPolarHBondContact CB-SG 3.19Å; C1223-C1241 WeakPolarHBondContact SG-CA 3.07Å; C1223-C1241 WeakPolarHBondContact SG-CB 3.47Å; C1223-C1241 CovalentContact SG-SG 2.01Å; C1223-C1241 PolarHBondContact SG-SG 3.25Å | ||
| 1224 | S | 60.9 | Low | 56.1 | Low | 80 Ų | 80 | 70.4 Ų | 70.4 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.6 | 178 | -47.2 | 0 | 0 | 0 | 0 | 114 | G1226 S1245 | S1224-G1226 PolarHBondContact O-N 3Å; S1224-S1245 VanDerWaalsContact CB-CB 3.47Å; S1224-S1245 WeakPolarHBondContact CB-OG 2.99Å; S1224-S1245 WeakPolarHBondContact OG-CB 3.37Å; S1224-S1245 PolarHBondContact OG-OG 3.33Å |
| 1225 | S | 60.1 | Low | 57 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8 | 169.6 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | C1223 E1227 C1241 R1242 D1243 | C1223-S1225 PolarHBondContact O-N 3.23Å; S1225-E1227 WeakPolarHBondContact OG-CG 3.29Å; S1225-C1241 PolarHBondContact OG-SG 2.77Å; S1225-R1242 PolarHBondContact OG-N 3.39Å; S1225-R1242 VanDerWaalsContact OG-N 3.17Å; S1225-D1243 PolarHBondContact OG-N 2.05Å |
| 1226 | G | 58.9 | Low | 57.6 | Low | 39 Ų | 39 | 63.5 Ų | 63.5 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 102.5 | -11.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1214 C1223 S1224 | P1214-G1226 WeakPolarHBondContact CG-O 3.32Å; C1223-G1226 PolarHBondContact O-N 3.31Å; S1224-G1226 PolarHBondContact O-N 3Å |
| 1227 | E | 58 | Low | 58.3 | Low | 87 Ų | 87 | 64.7 Ų | 64.7 | 41% | 0.407 | 36% | 0.362 | S | S | . | . | trans | -64.3 | 161.7 | 177.8 | -46.2 | -62.5 | 166.2 | 0 | 0 | 111.7 | C1223 S1225 | C1223-E1227 HydrophobicContact CB-CB 3.71Å; C1223-E1227 HydrophobicContact CB-CG 4.42Å; C1223-E1227 VanDerWaalsContact CB-O 3.23Å; C1223-E1227 WeakPolarHBondContact CB-O 2.91Å; C1223-E1227 PolarHBondContact N-O 2.92Å; S1225-E1227 WeakPolarHBondContact OG-CG 3.29Å | ||
| 1228 | C | 59.9 | Low | 58.6 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 118.9 | 175.9 | -112.5 | 0 | 0 | 0 | 0 | 112.3 | P1214 C1216 | P1214-C1228 HydrophobicContact CB-CB 4.39Å; P1214-C1228 WeakPolarHBondContact CB-SG 3.43Å; P1214-C1228 PolarHBondContact O-SG 3.28Å; C1216-C1228 HydrophobicContact CB-CB 4.27Å; C1216-C1228 WeakPolarHBondContact CB-SG 3.26Å; C1216-C1228 PolarHBondContact N-SG 2.95Å; C1216-C1228 WeakPolarHBondContact SG-CA 3.15Å; C1216-C1228 WeakPolarHBondContact SG-CB 3.41Å; C1216-C1228 CovalentContact SG-SG 2.03Å; C1216-C1228 PolarHBondContact SG-SG 3.36Å |
| 1229 | I | 59.4 | Low | 59.3 | Low | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 166.8 | -169 | 65.1 | -175.5 | 0 | 0 | 0 | 109.5 | Q1220 Y1221 M1233 D1240 D1246 | Q1220-I1229 CarbonylContact C-O 3.36Å; Q1220-I1229 WeakPolarHBondContact CA-O 3.37Å; Q1220-I1229 WeakPolarHBondContact CB-O 3.31Å; Y1221-I1229 HydrophobicContact CD1-CD1 4.37Å; Y1221-I1229 HydrophobicContact CD1-CG1 4.21Å; Y1221-I1229 PolarHBondContact N-O 2.91Å; Y1221-I1229 PolarHBondContact O-N 3.01Å; I1229-M1233 HydrophobicContact CB-CB 3.87Å; I1229-M1233 HydrophobicContact CB-CE 4.07Å; I1229-M1233 HydrophobicContact CD1-CB 4.01Å; I1229-M1233 WeakPolarHBondContact CD1-O 3.48Å; I1229-M1233 HydrophobicContact CG1-CB 4.04Å; I1229-D1240 HydrophobicContact CD1-CB 4.33Å; I1229-D1246 HydrophobicContact CD1-CB 3.62Å |
| 1230 | E | 56.5 | Low | 59.8 | Low | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 155.2 | 177.9 | -61.5 | -161.5 | 145.3 | 0 | 0 | 112 | Q1220 Q1232 M1233 R1234 | Q1220-E1230 HydrophobicContact CG-CB 4.29Å; Q1220-E1230 HydrophobicContact CG-CG 3.83Å; E1230-Q1232 HydrophobicContact CB-CG 3.7Å; E1230-Q1232 PolarHBondContact O-N 3.11Å; E1230-Q1232 PolarHBondContact OE2-NE2 2.8Å; E1230-M1233 HydrophobicContact CB-CE 4.14Å; E1230-M1233 HydrophobicContact CG-CE 4.05Å; E1230-M1233 WeakPolarHBondContact O-CA 3.38Å; E1230-M1233 PolarHBondContact O-N 2.77Å; E1230-R1234 PolarHBondContact O-N 3.45Å; E1230-R1234 VanDerWaalsContact O-N 3.17Å |
| 1231 | Q | 64 | Low | 60.1 | Low | 125 Ų | 125 | 63.8 Ų | 63.8 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.8 | 177.3 | -83.4 | -177.6 | 11.9 | 0 | 0 | 112.7 | G1219 Q1220 | G1219-Q1231 WeakPolarHBondContact O-CB 3.07Å; G1219-Q1231 PolarHBondContact O-N 3.19Å; Q1220-Q1231 WeakPolarHBondContact O-CG 3.19Å; Q1220-Q1231 PolarHBondContact O-NE2 3.29Å |
| 1232 | Q | 56.1 | Low | 60.1 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -15.8 | 170 | 62 | 172.5 | -12.9 | 0 | 0 | 115 | E1230 D1236 R1255 | E1230-Q1232 HydrophobicContact CB-CG 3.7Å; E1230-Q1232 PolarHBondContact O-N 3.11Å; E1230-Q1232 PolarHBondContact OE2-NE2 2.8Å; Q1232-D1236 WeakPolarHBondContact O-CB 3.31Å; Q1232-R1255 VanDerWaalsContact OE1-CZ 3.26Å |
| 1233 | M | 60.6 | Low | 59.8 | Low | 57 Ų | 57 | 71.8 Ų | 71.8 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.9 | 170.3 | -68.7 | -167.5 | -71.4 | 0 | 0 | 111.4 | I1229 E1230 D1246 | I1229-M1233 HydrophobicContact CB-CB 3.87Å; I1229-M1233 HydrophobicContact CB-CE 4.07Å; I1229-M1233 HydrophobicContact CD1-CB 4.01Å; I1229-M1233 WeakPolarHBondContact CD1-O 3.48Å; I1229-M1233 HydrophobicContact CG1-CB 4.04Å; E1230-M1233 HydrophobicContact CB-CE 4.14Å; E1230-M1233 HydrophobicContact CG-CE 4.05Å; E1230-M1233 WeakPolarHBondContact O-CA 3.38Å; E1230-M1233 PolarHBondContact O-N 2.77Å; M1233-D1246 VanDerWaalsContact O-OD1 3.09Å |
| 1234 | R | 51.2 | Low | 59.5 | Low | 84 Ų | 84 | 73.5 Ų | 73.5 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 130.3 | 157.7 | -170.7 | -154.4 | -179.6 | 178 | -4.4 | 108.6 | Y1221 E1230 D1246 G1249 | Y1221-R1234 HydrophobicContact CD1-CB 3.56Å; Y1221-R1234 HydrophobicContact CD1-CG 3.5Å; Y1221-R1234 HydrophobicContact CD2-CB 4.46Å; Y1221-R1234 VanDerWaalsContact CD2-CD 3.49Å; Y1221-R1234 HydrophobicContact CD2-CG 4.01Å; Y1221-R1234 HydrophobicContact CE1-CB 4.26Å; Y1221-R1234 HydrophobicContact CE1-CG 3.73Å; Y1221-R1234 HydrophobicContact CE2-CG 4.18Å; Y1221-R1234 HydrophobicContact CG-CB 3.68Å; Y1221-R1234 HydrophobicContact CG-CG 3.65Å; E1230-R1234 PolarHBondContact O-N 3.45Å; E1230-R1234 VanDerWaalsContact O-N 3.17Å; R1234-D1246 HydrophobicContact CG-CB 4.29Å; R1234-G1249 PolarHBondContact NH2-O 2.89Å |
| 1235 | C | 66.3 | Low | 59.8 | Low | 27 Ų | 27 | 70 Ų | 70 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 34 | -179.4 | -37.4 | 0 | 0 | 0 | 0 | 113.4 | D1246 E1247 C1250 | C1235-D1246 PolarHBondContact N-OD1 3.33Å; C1235-E1247 WeakPolarHBondContact CA-OE1 3.18Å; C1235-C1250 WeakPolarHBondContact CA-SG 3.45Å; C1235-C1250 HydrophobicContact CB-CB 3.7Å; C1235-C1250 WeakPolarHBondContact CB-SG 3.38Å; C1235-C1250 WeakPolarHBondContact SG-CB 3.27Å; C1235-C1250 CovalentContact SG-SG 2.02Å; C1235-C1250 PolarHBondContact SG-SG 2.84Å |
| 1236 | D | 52 | Low | 60.1 | Low | 50 Ų | 50 | 68 Ų | 68 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -101.1 | 0.5 | -176.1 | 97.8 | -4.3 | 0 | 0 | 0 | 114.7 | Q1232 R1238 E1247 | Q1232-D1236 WeakPolarHBondContact O-CB 3.31Å; D1236-R1238 VanDerWaalsContact C-N 3.34Å; D1236-R1238 VanDerWaalsContact OD1-CB 3.28Å; D1236-R1238 WeakPolarHBondContact OD1-CB 3.24Å; D1236-R1238 IonicContact OD1-CZ 3.53Å; D1236-R1238 PolarHBondContact OD1-N 3.14Å; D1236-R1238 IonicContact OD1-NE 2.7Å; D1236-R1238 IonicContact OD1-NH2 2.83Å; D1236-R1238 IonicContact OD2-CZ 3.59Å; D1236-R1238 IonicContact OD2-NE 3.52Å; D1236-R1238 IonicContact OD2-NH2 2.74Å; D1236-R1238 PolarHBondContact OD2-NH2 3.07Å; D1236-E1247 PolarHBondContact N-OE1 2.94Å |
| 1237 | G | 61.1 | Low | 60.5 | Low | 49 Ų | 49 | 70 Ų | 70 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 87.5 | -4.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1247 | G1237-E1247 PolarHBondContact N-OE1 3.35Š|
| 1238 | R | 54.6 | Low | 60.6 | Low | 136 Ų | 136 | 69.3 Ų | 69.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -94.6 | 147.6 | 168.9 | -67.4 | -174.4 | -75.5 | -107.4 | -5.8 | 111.8 | D1236 D1240 E1247 | D1236-R1238 VanDerWaalsContact C-N 3.34Å; D1236-R1238 VanDerWaalsContact OD1-CB 3.28Å; D1236-R1238 WeakPolarHBondContact OD1-CB 3.24Å; D1236-R1238 IonicContact OD1-CZ 3.53Å; D1236-R1238 PolarHBondContact OD1-N 3.14Å; D1236-R1238 IonicContact OD1-NE 2.7Å; D1236-R1238 IonicContact OD1-NH2 2.83Å; D1236-R1238 IonicContact OD2-CZ 3.59Å; D1236-R1238 IonicContact OD2-NE 3.52Å; D1236-R1238 IonicContact OD2-NH2 2.74Å; D1236-R1238 PolarHBondContact OD2-NH2 3.07Å; R1238-D1240 VanDerWaalsContact CB-OD1 3.31Å; R1238-D1240 WeakPolarHBondContact CB-OD1 3.45Å; R1238-D1240 WeakPolarHBondContact CD-OD1 3.39Å; R1238-D1240 IonicContact CZ-OD2 3Å; R1238-D1240 IonicContact NE-OD1 2.68Å; R1238-D1240 IonicContact NE-OD2 3.55Å; R1238-D1240 PolarHBondContact NE-OD2 2.96Å; R1238-D1240 IonicContact NH2-OD2 3.17Å; R1238-D1240 PolarHBondContact O-N 2.81Å; R1238-E1247 VanDerWaalsContact O-CG 3.31Å; R1238-E1247 WeakPolarHBondContact O-CG 3.37Å |
| 1239 | Q | 60.2 | Low | 60.1 | Low | 127 Ų | 127 | 70 Ų | 70 | 59% | 0.593 | 36% | 0.362 | S | S | * | . | trans | -78.4 | 69.6 | 159.5 | -174.8 | 173 | -3.4 | 0 | 0 | 109.2 | C1241 A1244 | Q1239-C1241 WeakPolarHBondContact CG-O 3.47Å; Q1239-C1241 PolarHBondContact NE2-O 2.85Å; Q1239-C1241 VanDerWaalsContact NE2-O 3.1Å; Q1239-A1244 HydrophobicContact CG-CB 4.25Å | ||
| 1240 | D | 55.6 | Low | 59.8 | Low | 57 Ų | 57 | 70.9 Ų | 70.9 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | trans | -76.3 | -20.2 | 171.1 | -71.9 | -12.7 | 0 | 0 | 0 | 109.9 | I1229 R1238 | I1229-D1240 HydrophobicContact CD1-CB 4.33Å; R1238-D1240 VanDerWaalsContact CB-OD1 3.31Å; R1238-D1240 WeakPolarHBondContact CB-OD1 3.45Å; R1238-D1240 WeakPolarHBondContact CD-OD1 3.39Å; R1238-D1240 IonicContact CZ-OD2 3Å; R1238-D1240 IonicContact NE-OD1 2.68Å; R1238-D1240 IonicContact NE-OD2 3.55Å; R1238-D1240 PolarHBondContact NE-OD2 2.96Å; R1238-D1240 IonicContact NH2-OD2 3.17Å; R1238-D1240 PolarHBondContact O-N 2.81Å | ||
| 1241 | C | 68.3 | Low | 59.3 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -79 | 122.9 | 164.4 | -137.2 | 0 | 0 | 0 | 0 | 114.6 | C1223 S1225 Q1239 D1243 A1244 S1245 D1246 | C1223-C1241 HydrophobicContact CB-CB 4.28Å; C1223-C1241 WeakPolarHBondContact CB-SG 3.19Å; C1223-C1241 WeakPolarHBondContact SG-CA 3.07Å; C1223-C1241 WeakPolarHBondContact SG-CB 3.47Å; C1223-C1241 CovalentContact SG-SG 2.01Å; C1223-C1241 PolarHBondContact SG-SG 3.25Å; S1225-C1241 PolarHBondContact OG-SG 2.77Å; Q1239-C1241 WeakPolarHBondContact CG-O 3.47Å; Q1239-C1241 PolarHBondContact NE2-O 2.85Å; Q1239-C1241 VanDerWaalsContact NE2-O 3.1Å; C1241-D1243 PolarHBondContact O-N 3.3Å; C1241-D1243 VanDerWaalsContact O-N 3.11Å; C1241-A1244 WeakPolarHBondContact O-CA 3.18Å; C1241-A1244 PolarHBondContact O-N 3.2Å; C1241-S1245 VanDerWaalsContact CB-N 3.28Å; C1241-S1245 PolarHBondContact SG-N 3.23Å; C1241-D1246 HydrophobicContact CB-CB 4.18Å; C1241-D1246 VanDerWaalsContact CB-OD2 3.28Å; C1241-D1246 WeakPolarHBondContact CB-OD2 3.05Å; C1241-D1246 PolarHBondContact N-OD2 2.83Å; C1241-D1246 PolarHBondContact SG-N 2.75Å |
| 1242 | R | 65.4 | Low | 58.4 | Low | 210 Ų | 210 | 68.6 Ų | 68.6 | 79% | 0.792 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.3 | 172.9 | -170 | 172.9 | 178.7 | 175.2 | -0.1 | 114.6 | S1225 | S1225-R1242 PolarHBondContact OG-N 3.39Å; S1225-R1242 VanDerWaalsContact OG-N 3.17Å |
| 1243 | D | 61.8 | Low | 57.8 | Low | 105 Ų | 105 | 74.4 Ų | 74.4 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 20.1 | 172.1 | -164.8 | 37.4 | 0 | 0 | 0 | 112.7 | S1225 C1241 S1245 | S1225-D1243 PolarHBondContact OG-N 2.05Å; C1241-D1243 PolarHBondContact O-N 3.3Å; C1241-D1243 VanDerWaalsContact O-N 3.11Å; D1243-S1245 PolarHBondContact O-N 2.85Å; D1243-S1245 PolarHBondContact O-OG 3.22Å; D1243-S1245 VanDerWaalsContact O-OG 3.05Å |
| 1244 | A | 59.4 | Low | 57.3 | Low | 36 Ų | 36 | 72.7 Ų | 72.7 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 58.5 | 5.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1239 C1241 D1246 E1247 T1248 | Q1239-A1244 HydrophobicContact CG-CB 4.25Å; C1241-A1244 WeakPolarHBondContact O-CA 3.18Å; C1241-A1244 PolarHBondContact O-N 3.2Å; A1244-D1246 PolarHBondContact O-N 2.99Å; A1244-E1247 PolarHBondContact O-N 2.84Å; A1244-T1248 PolarHBondContact O-N 3.18Å |
| 1245 | S | 67.4 | Low | 57.2 | Low | 8 Ų | 8 | 74.6 Ų | 74.6 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -77 | -17.5 | -163.9 | -53.6 | 0 | 0 | 0 | 0 | 117.5 | Y1221 S1224 C1241 D1243 E1247 T1248 | Y1221-S1245 PolarHBondContact OH-O 2.83Å; S1224-S1245 VanDerWaalsContact CB-CB 3.47Å; S1224-S1245 WeakPolarHBondContact CB-OG 2.99Å; S1224-S1245 WeakPolarHBondContact OG-CB 3.37Å; S1224-S1245 PolarHBondContact OG-OG 3.33Å; C1241-S1245 VanDerWaalsContact CB-N 3.28Å; C1241-S1245 PolarHBondContact SG-N 3.23Å; D1243-S1245 PolarHBondContact O-N 2.85Å; D1243-S1245 PolarHBondContact O-OG 3.22Å; D1243-S1245 VanDerWaalsContact O-OG 3.05Å; S1245-E1247 VanDerWaalsContact C-N 3.27Å; S1245-T1248 VanDerWaalsContact CA-OG1 3.23Å; S1245-T1248 WeakPolarHBondContact CA-OG1 3.37Å; S1245-T1248 PolarHBondContact O-N 3.47Å; S1245-T1248 PolarHBondContact O-OG1 3.28Å |
| 1246 | D | 65.4 | Low | 56.1 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -64.3 | -39.4 | 171 | 84 | 83.4 | 0 | 0 | 0 | 110.6 | Y1221 I1229 M1233 R1234 C1235 C1241 A1244 T1248 C1250 | Y1221-D1246 HydrophobicContact CD1-CB 4.1Å; Y1221-D1246 HydrophobicContact CE1-CB 3.59Å; I1229-D1246 HydrophobicContact CD1-CB 3.62Å; M1233-D1246 VanDerWaalsContact O-OD1 3.09Å; R1234-D1246 HydrophobicContact CG-CB 4.29Å; C1235-D1246 PolarHBondContact N-OD1 3.33Å; C1241-D1246 HydrophobicContact CB-CB 4.18Å; C1241-D1246 VanDerWaalsContact CB-OD2 3.28Å; C1241-D1246 WeakPolarHBondContact CB-OD2 3.05Å; C1241-D1246 PolarHBondContact N-OD2 2.83Å; C1241-D1246 PolarHBondContact SG-N 2.75Å; A1244-D1246 PolarHBondContact O-N 2.99Å; D1246-T1248 PolarHBondContact O-N 3.08Å; D1246-C1250 PolarHBondContact O-SG 2.9Å |
| 1247 | E | 68.2 | Low | 55.9 | Low | 81 Ų | 81 | 79.2 Ų | 79.2 | 38% | 0.379 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -73.4 | -5 | 170.4 | -71.1 | -77.5 | 104.1 | 0 | 0 | 113.2 | C1235 D1236 G1237 R1238 A1244 S1245 | C1235-E1247 WeakPolarHBondContact CA-OE1 3.18Å; D1236-E1247 PolarHBondContact N-OE1 2.94Å; G1237-E1247 PolarHBondContact N-OE1 3.35Å; R1238-E1247 VanDerWaalsContact O-CG 3.31Å; R1238-E1247 WeakPolarHBondContact O-CG 3.37Å; A1244-E1247 PolarHBondContact O-N 2.84Å; S1245-E1247 VanDerWaalsContact C-N 3.27Å |
| 1248 | T | 58.8 | Low | 55.9 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 135.4 | 175.3 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | A1244 S1245 D1246 C1250 | A1244-T1248 PolarHBondContact O-N 3.18Å; S1245-T1248 VanDerWaalsContact CA-OG1 3.23Å; S1245-T1248 WeakPolarHBondContact CA-OG1 3.37Å; S1245-T1248 PolarHBondContact O-N 3.47Å; S1245-T1248 PolarHBondContact O-OG1 3.28Å; D1246-T1248 PolarHBondContact O-N 3.08Å; T1248-C1250 PolarHBondContact O-N 2.76Å |
| 1249 | G | 50.6 | Low | 56.4 | Low | 65 Ų | 65 | 74.7 Ų | 74.7 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 22.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1234 P1251 | R1234-G1249 PolarHBondContact NH2-O 2.89Å; G1249-P1251 WeakPolarHBondContact O-CD 3.35Å |
| 1250 | C | 52.3 | Low | 56.8 | Low | 34 Ų | 34 | 72.4 Ų | 72.4 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | trans | -77.1 | 106.4 | 165.2 | -81.7 | 0 | 0 | 0 | 0 | 110.5 | C1235 D1246 T1248 | C1235-C1250 WeakPolarHBondContact CA-SG 3.45Å; C1235-C1250 HydrophobicContact CB-CB 3.7Å; C1235-C1250 WeakPolarHBondContact CB-SG 3.38Å; C1235-C1250 WeakPolarHBondContact SG-CB 3.27Å; C1235-C1250 CovalentContact SG-SG 2.02Å; C1235-C1250 PolarHBondContact SG-SG 2.84Å; D1246-C1250 PolarHBondContact O-SG 2.9Å; T1248-C1250 PolarHBondContact O-N 2.76Å | ||
| 1251 | P | 45.6 | Very low | 57.2 | Low | 87 Ų | 87 | 69.7 Ų | 69.7 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | trans | -60.9 | 140.6 | 149.4 | 30.6 | -33.5 | 0 | 0 | 0 | 107 | G1249 R1253 | G1249-P1251 WeakPolarHBondContact O-CD 3.35Å; P1251-R1253 WeakPolarHBondContact O-CB 3.35Å; P1251-R1253 PolarHBondContact O-N 2.84Å | ||
| 1252 | P | 44.9 | Very low | 56.8 | Low | 69 Ų | 69 | 72.6 Ų | 72.6 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | trans | -66.7 | 108.1 | -172.6 | -20.5 | 33.9 | 0 | 0 | 0 | 110 | Q1260 | P1252-Q1260 HydrophobicContact CB-CG 3.36Å; P1252-Q1260 HydrophobicContact CG-CG 4.23Å | ||
| 1253 | R | 44.6 | Very low | 56.6 | Low | 207 Ų | 207 | 64.7 Ų | 64.7 | 78% | 0.781 | 37% | 0.371 | S | S | * | . | trans | -123.2 | 59.2 | -164.9 | -148.8 | 177.4 | -163.6 | -163.3 | 3 | 113.7 | P1251 R1255 | P1251-R1253 WeakPolarHBondContact O-CB 3.35Å; P1251-R1253 PolarHBondContact O-N 2.84Å; R1253-R1255 PolarHBondContact O-N 2.76Å | ||
| 1254 | C | 49.5 | Very low | 56.4 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 14% | 0.142 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 134.1 | 162.1 | -26.7 | 0 | 0 | 0 | 0 | 107.6 | Q1258 Y1259 Q1260 C1266 | C1254-Q1258 HydrophobicContact CB-CB 3.5Å; C1254-Y1259 VanDerWaalsContact SG-C 3.53Å; C1254-Y1259 PolarHBondContact SG-O 2.89Å; C1254-Q1260 WeakPolarHBondContact SG-CA 3.42Å; C1254-Q1260 VanDerWaalsContact SG-CB 3.56Å; C1254-C1266 WeakPolarHBondContact CA-SG 3.26Å; C1254-C1266 HydrophobicContact CB-CB 3.53Å; C1254-C1266 WeakPolarHBondContact CB-SG 3.48Å; C1254-C1266 PolarHBondContact N-SG 3.04Å; C1254-C1266 WeakPolarHBondContact SG-CA 3.37Å; C1254-C1266 WeakPolarHBondContact SG-CB 3.21Å; C1254-C1266 CovalentContact SG-SG 2.05Å; C1254-C1266 PolarHBondContact SG-SG 2.83Å |
| 1255 | R | 49.1 | Very low | 56.2 | Low | 123 Ų | 123 | 63.7 Ų | 63.7 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 162.7 | -176.8 | -67.2 | 170.4 | 154.2 | 121.1 | -18.3 | 112.1 | Q1232 R1253 G1257 Q1258 | Q1232-R1255 VanDerWaalsContact OE1-CZ 3.26Å; R1253-R1255 PolarHBondContact O-N 2.76Å; R1255-G1257 PolarHBondContact O-N 3.48Å; R1255-G1257 VanDerWaalsContact O-N 3.11Å; R1255-Q1258 HydrophobicContact CB-CB 4.48Å; R1255-Q1258 HydrophobicContact CB-CG 3.93Å; R1255-Q1258 WeakPolarHBondContact O-CA 3.21Å; R1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; R1255-Q1258 PolarHBondContact O-N 3.01Å |
| 1256 | P | 43.9 | Very low | 55.9 | Low | 141 Ų | 141 | 65.3 Ų | 65.3 | 92% | 0.916 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 118.3 | 165 | -20.9 | 33.5 | 0 | 0 | 0 | 109.4 | ||
| 1257 | G | 47.7 | Very low | 55.5 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 2.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1255 Q1269 | R1255-G1257 PolarHBondContact O-N 3.48Å; R1255-G1257 VanDerWaalsContact O-N 3.11Å; G1257-Q1269 VanDerWaalsContact O-CB 3.26Å; G1257-Q1269 WeakPolarHBondContact O-CB 3.44Å; G1257-Q1269 PolarHBondContact O-N 2.72Å |
| 1258 | Q | 60.4 | Low | 55 | Low | 35 Ų | 35 | 65.5 Ų | 65.5 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 156.7 | 168.8 | -54.7 | -176.8 | -31.5 | 0 | 0 | 110.7 | C1254 R1255 I1267 E1268 Q1269 | C1254-Q1258 HydrophobicContact CB-CB 3.5Å; R1255-Q1258 HydrophobicContact CB-CB 4.48Å; R1255-Q1258 HydrophobicContact CB-CG 3.93Å; R1255-Q1258 WeakPolarHBondContact O-CA 3.21Å; R1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; R1255-Q1258 PolarHBondContact O-N 3.01Å; Q1258-I1267 CarbonylContact C-O 3.51Å; Q1258-I1267 WeakPolarHBondContact CA-O 3.22Å; Q1258-I1267 WeakPolarHBondContact CB-O 3.22Å; Q1258-E1268 HydrophobicContact CG-CB 4.41Å; Q1258-E1268 HydrophobicContact CG-CG 4.13Å; Q1258-E1268 PolarHBondContact NE2-OE1 2.02Å; Q1258-Q1269 PolarHBondContact O-NE2 2.8Å |
| 1259 | Y | 65 | Low | 55.2 | Low | 55 Ų | 55 | 66.3 Ų | 66.3 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.9 | -177.2 | 169.9 | -102.7 | 0 | 0 | 0 | 110.8 | C1254 I1267 R1272 S1283 | C1254-Y1259 VanDerWaalsContact SG-C 3.53Å; C1254-Y1259 PolarHBondContact SG-O 2.89Å; Y1259-I1267 HydrophobicContact CD1-CD1 3.98Å; Y1259-I1267 HydrophobicContact CD1-CG1 4.07Å; Y1259-I1267 PolarHBondContact N-O 2.9Å; Y1259-I1267 PolarHBondContact O-N 2.82Å; Y1259-I1267 VanDerWaalsContact O-N 3.08Å; Y1259-R1272 HydrophobicContact CD1-CB 3.75Å; Y1259-R1272 HydrophobicContact CD1-CG 3.5Å; Y1259-R1272 HydrophobicContact CD2-CG 4.07Å; Y1259-R1272 HydrophobicContact CE1-CG 3.86Å; Y1259-R1272 HydrophobicContact CE2-CG 4.38Å; Y1259-R1272 HydrophobicContact CG-CB 3.79Å; Y1259-R1272 HydrophobicContact CG-CG 3.61Å; Y1259-S1283 PolarHBondContact OH-O 2.9Å |
| 1260 | Q | 69.2 | Low | 55.6 | Low | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.7 | -175.1 | -168.6 | -139.2 | -47.9 | 0 | 0 | 112.8 | P1252 C1254 | P1252-Q1260 HydrophobicContact CB-CG 3.36Å; P1252-Q1260 HydrophobicContact CG-CG 4.23Å; C1254-Q1260 WeakPolarHBondContact SG-CA 3.42Å; C1254-Q1260 VanDerWaalsContact SG-CB 3.56Å |
| 1261 | C | 64.6 | Low | 55.9 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -69.4 | 146.7 | 167.7 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | S1263 G1264 E1265 C1279 | C1261-S1263 WeakPolarHBondContact CB-OG 3.27Å; C1261-S1263 PolarHBondContact O-N 2.68Å; C1261-G1264 PolarHBondContact O-N 2.93Å; C1261-E1265 HydrophobicContact CB-CB 3.99Å; C1261-E1265 HydrophobicContact CB-CG 4.4Å; C1261-E1265 VanDerWaalsContact CB-O 3.29Å; C1261-E1265 WeakPolarHBondContact CB-O 3.46Å; C1261-E1265 PolarHBondContact N-O 3.27Å; C1261-C1279 WeakPolarHBondContact CA-SG 3.4Å; C1261-C1279 HydrophobicContact CB-CB 3.68Å; C1261-C1279 WeakPolarHBondContact CB-SG 3.49Å; C1261-C1279 WeakPolarHBondContact SG-CA 3.4Å; C1261-C1279 WeakPolarHBondContact SG-CB 3.39Å; C1261-C1279 CovalentContact SG-SG 2.01Å; C1261-C1279 PolarHBondContact SG-SG 2.84Å | ||
| 1262 | S | 58 | Low | 56.3 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.7 | 162.6 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | G1264 D1281 S1283 | S1262-G1264 VanDerWaalsContact C-N 3.31Å; S1262-G1264 PolarHBondContact O-N 3.3Å; S1262-D1281 VanDerWaalsContact CB-OD2 3.3Å; S1262-D1281 WeakPolarHBondContact CB-OD2 3.4Å; S1262-D1281 WeakPolarHBondContact OG-CB 3.46Å; S1262-D1281 PolarHBondContact OG-OD2 3.33Å; S1262-S1283 WeakPolarHBondContact CB-OG 3.38Å; S1262-S1283 VanDerWaalsContact OG-CB 3.29Å; S1262-S1283 WeakPolarHBondContact OG-CB 3.36Å; S1262-S1283 PolarHBondContact OG-OG 3.26Å |
| 1263 | S | 61.2 | Low | 57.4 | Low | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.6 | 174.3 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | C1261 R1280 D1281 | C1261-S1263 WeakPolarHBondContact CB-OG 3.27Å; C1261-S1263 PolarHBondContact O-N 2.68Å; S1263-R1280 PolarHBondContact OG-N 3.14Å; S1263-D1281 PolarHBondContact OG-N 3.08Å |
| 1264 | G | 58.5 | Low | 57.7 | Low | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 99.9 | -25.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1261 S1262 | C1261-G1264 PolarHBondContact O-N 2.93Å; S1262-G1264 VanDerWaalsContact C-N 3.31Å; S1262-G1264 PolarHBondContact O-N 3.3Å |
| 1265 | E | 54.4 | Low | 58.2 | Low | 77 Ų | 77 | 62.2 Ų | 62.2 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | trans | -54.4 | 145.4 | 176.1 | -39.6 | -81.8 | 165.6 | 0 | 0 | 111.8 | C1261 I1267 | C1261-E1265 HydrophobicContact CB-CB 3.99Å; C1261-E1265 HydrophobicContact CB-CG 4.4Å; C1261-E1265 VanDerWaalsContact CB-O 3.29Å; C1261-E1265 WeakPolarHBondContact CB-O 3.46Å; C1261-E1265 PolarHBondContact N-O 3.27Å; E1265-I1267 HydrophobicContact CB-CG2 4.37Å | ||
| 1266 | C | 62.6 | Low | 58.4 | Low | 42 Ų | 42 | 61.9 Ų | 61.9 | 28% | 0.284 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 95.8 | 175.4 | -85.6 | 0 | 0 | 0 | 0 | 111 | C1254 | C1254-C1266 WeakPolarHBondContact CA-SG 3.26Å; C1254-C1266 HydrophobicContact CB-CB 3.53Å; C1254-C1266 WeakPolarHBondContact CB-SG 3.48Å; C1254-C1266 PolarHBondContact N-SG 3.04Å; C1254-C1266 WeakPolarHBondContact SG-CA 3.37Å; C1254-C1266 WeakPolarHBondContact SG-CB 3.21Å; C1254-C1266 CovalentContact SG-SG 2.05Å; C1254-C1266 PolarHBondContact SG-SG 2.83Å |
| 1267 | I | 55.8 | Low | 59.1 | Low | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 156.9 | -178 | 69.3 | -167.3 | 0 | 0 | 0 | 109.4 | Q1258 Y1259 E1265 M1271 D1278 D1284 | Q1258-I1267 CarbonylContact C-O 3.51Å; Q1258-I1267 WeakPolarHBondContact CA-O 3.22Å; Q1258-I1267 WeakPolarHBondContact CB-O 3.22Å; Y1259-I1267 HydrophobicContact CD1-CD1 3.98Å; Y1259-I1267 HydrophobicContact CD1-CG1 4.07Å; Y1259-I1267 PolarHBondContact N-O 2.9Å; Y1259-I1267 PolarHBondContact O-N 2.82Å; Y1259-I1267 VanDerWaalsContact O-N 3.08Å; E1265-I1267 HydrophobicContact CB-CG2 4.37Å; I1267-M1271 HydrophobicContact CB-CB 4.08Å; I1267-M1271 HydrophobicContact CB-CE 3.81Å; I1267-M1271 WeakPolarHBondContact CD1-O 3.44Å; I1267-M1271 HydrophobicContact CG1-CB 4.37Å; I1267-M1271 WeakPolarHBondContact CG1-O 3.39Å; I1267-M1271 HydrophobicContact CG2-CE 3.99Å; I1267-D1278 HydrophobicContact CG2-CB 4.33Å; I1267-D1284 HydrophobicContact CD1-CB 3.68Å |
| 1268 | E | 57.5 | Low | 59.6 | Low | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 157.5 | 179.1 | -59 | -125.3 | 123.7 | 0 | 0 | 111.5 | Q1258 Q1270 M1271 R1272 | Q1258-E1268 HydrophobicContact CG-CB 4.41Å; Q1258-E1268 HydrophobicContact CG-CG 4.13Å; Q1258-E1268 PolarHBondContact NE2-OE1 2.02Å; E1268-Q1270 HydrophobicContact CB-CG 3.58Å; E1268-Q1270 PolarHBondContact O-N 3.33Å; E1268-Q1270 PolarHBondContact OE2-NE2 2.81Å; E1268-M1271 CarbonylContact O-C 3.58Å; E1268-M1271 VanDerWaalsContact O-C 3.27Å; E1268-M1271 WeakPolarHBondContact O-CA 3.19Å; E1268-M1271 PolarHBondContact O-N 2.86Å; E1268-R1272 PolarHBondContact O-N 2.94Å; E1268-R1272 VanDerWaalsContact O-N 3.14Å |
| 1269 | Q | 64.2 | Low | 59.9 | Low | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13 | 177.5 | -80.7 | 179.5 | 18.2 | 0 | 0 | 112.5 | G1257 Q1258 | G1257-Q1269 VanDerWaalsContact O-CB 3.26Å; G1257-Q1269 WeakPolarHBondContact O-CB 3.44Å; G1257-Q1269 PolarHBondContact O-N 2.72Å; Q1258-Q1269 PolarHBondContact O-NE2 2.8Å |
| 1270 | Q | 57.9 | Low | 59.8 | Low | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -21.6 | 168.6 | 51.4 | -178.1 | -15.1 | 0 | 0 | 113.4 | E1268 R1272 D1274 | E1268-Q1270 HydrophobicContact CB-CG 3.58Å; E1268-Q1270 PolarHBondContact O-N 3.33Å; E1268-Q1270 PolarHBondContact OE2-NE2 2.81Å; Q1270-R1272 VanDerWaalsContact C-N 3.34Å; Q1270-D1274 WeakPolarHBondContact O-CB 3.15Å |
| 1271 | M | 60.2 | Low | 59.4 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -98.2 | 20.1 | 166.4 | -53.2 | -162.4 | -21.6 | 0 | 0 | 111.5 | I1267 E1268 D1278 D1284 | I1267-M1271 HydrophobicContact CB-CB 4.08Å; I1267-M1271 HydrophobicContact CB-CE 3.81Å; I1267-M1271 WeakPolarHBondContact CD1-O 3.44Å; I1267-M1271 HydrophobicContact CG1-CB 4.37Å; I1267-M1271 WeakPolarHBondContact CG1-O 3.39Å; I1267-M1271 HydrophobicContact CG2-CE 3.99Å; E1268-M1271 CarbonylContact O-C 3.58Å; E1268-M1271 VanDerWaalsContact O-C 3.27Å; E1268-M1271 WeakPolarHBondContact O-CA 3.19Å; E1268-M1271 PolarHBondContact O-N 2.86Å; M1271-D1278 HydrophobicContact CE-CB 4.23Å; M1271-D1284 VanDerWaalsContact O-OD1 3.11Å |
| 1272 | R | 53.9 | Low | 59.2 | Low | 88 Ų | 88 | 69.9 Ų | 69.9 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -103.6 | 127.4 | 160.1 | -175.2 | -156.2 | 177 | -155.4 | -8.9 | 106.3 | Y1259 E1268 Q1270 D1284 G1287 | Y1259-R1272 HydrophobicContact CD1-CB 3.75Å; Y1259-R1272 HydrophobicContact CD1-CG 3.5Å; Y1259-R1272 HydrophobicContact CD2-CG 4.07Å; Y1259-R1272 HydrophobicContact CE1-CG 3.86Å; Y1259-R1272 HydrophobicContact CE2-CG 4.38Å; Y1259-R1272 HydrophobicContact CG-CB 3.79Å; Y1259-R1272 HydrophobicContact CG-CG 3.61Å; E1268-R1272 PolarHBondContact O-N 2.94Å; E1268-R1272 VanDerWaalsContact O-N 3.14Å; Q1270-R1272 VanDerWaalsContact C-N 3.34Å; R1272-D1284 VanDerWaalsContact CA-OD1 3.3Å; R1272-D1284 WeakPolarHBondContact CA-OD1 3.14Å; R1272-G1287 PolarHBondContact NH2-O 2.95Å |
| 1273 | C | 67.6 | Low | 59.7 | Low | 46 Ų | 46 | 68.1 Ų | 68.1 | 31% | 0.311 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 71.8 | 29.9 | -178 | -41.6 | 0 | 0 | 0 | 0 | 114.3 | D1284 C1288 | C1273-D1284 PolarHBondContact N-OD1 3.35Å; C1273-C1288 WeakPolarHBondContact CA-SG 3.34Å; C1273-C1288 HydrophobicContact CB-CB 3.41Å; C1273-C1288 VanDerWaalsContact CB-CB 3.41Å; C1273-C1288 WeakPolarHBondContact CB-SG 3.2Å; C1273-C1288 WeakPolarHBondContact SG-CA 3.04Å; C1273-C1288 WeakPolarHBondContact SG-CB 3Å; C1273-C1288 CovalentContact SG-SG 2.01Å; C1273-C1288 PolarHBondContact SG-SG 3.29Å |
| 1274 | D | 50 | Low | 59.9 | Low | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -96.4 | -2.8 | -172.8 | 98.7 | -18.8 | 0 | 0 | 0 | 114.9 | Q1270 R1276 | Q1270-D1274 WeakPolarHBondContact O-CB 3.15Å; D1274-R1276 WeakPolarHBondContact OD1-CB 3.47Å; D1274-R1276 IonicContact OD1-CZ 3.3Å; D1274-R1276 PolarHBondContact OD1-N 3.13Å; D1274-R1276 IonicContact OD1-NE 3.11Å; D1274-R1276 IonicContact OD1-NH2 3.75Å; D1274-R1276 IonicContact OD2-CZ 3.5Å; D1274-R1276 IonicContact OD2-NE 2.7Å; D1274-R1276 IonicContact OD2-NH1 3.5Å; D1274-R1276 PolarHBondContact OD2-NH1 2.91Å; D1274-R1276 IonicContact OD2-NH2 3.69Å; D1274-R1276 PolarHBondContact OD2-NH2 3.48Å |
| 1275 | G | 60.1 | Low | 60.3 | Low | 45 Ų | 45 | 68 Ų | 68 | 46% | 0.464 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 88.8 | 5.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1285 | G1275-E1285 WeakPolarHBondContact CA-OE1 3.39Å; G1275-E1285 WeakPolarHBondContact CA-OE2 3.43Å; G1275-E1285 PolarHBondContact N-OE1 2.76Å |
| 1276 | R | 54 | Low | 60.5 | Low | 117 Ų | 117 | 68.1 Ų | 68.1 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -110 | 166.1 | 167.5 | -60.6 | -167.4 | -62.3 | -90.6 | -7.6 | 111.1 | D1274 D1278 D1284 E1285 | D1274-R1276 WeakPolarHBondContact OD1-CB 3.47Å; D1274-R1276 IonicContact OD1-CZ 3.3Å; D1274-R1276 PolarHBondContact OD1-N 3.13Å; D1274-R1276 IonicContact OD1-NE 3.11Å; D1274-R1276 IonicContact OD1-NH2 3.75Å; D1274-R1276 IonicContact OD2-CZ 3.5Å; D1274-R1276 IonicContact OD2-NE 2.7Å; D1274-R1276 IonicContact OD2-NH1 3.5Å; D1274-R1276 PolarHBondContact OD2-NH1 2.91Å; D1274-R1276 IonicContact OD2-NH2 3.69Å; D1274-R1276 PolarHBondContact OD2-NH2 3.48Å; R1276-D1278 VanDerWaalsContact C-N 3.35Å; R1276-D1278 WeakPolarHBondContact CB-OD1 3.48Å; R1276-D1278 IonicContact CZ-OD2 2.8Å; R1276-D1278 IonicContact NE-OD1 3.02Å; R1276-D1278 PolarHBondContact NE-OD1 2.79Å; R1276-D1278 IonicContact NE-OD2 3.36Å; R1276-D1278 PolarHBondContact NE-OD2 3.08Å; R1276-D1278 IonicContact NH2-OD2 2.75Å; R1276-D1278 PolarHBondContact NH2-OD2 3.05Å; R1276-D1278 PolarHBondContact O-N 2.84Å; R1276-D1284 VanDerWaalsContact O-OD2 3.06Å; R1276-E1285 WeakPolarHBondContact O-CG 3.04Å |
| 1277 | Q | 59.3 | Low | 60 | Low | 118 Ų | 118 | 69.3 Ų | 69.3 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | trans | -100.2 | 57.2 | 176.9 | -157.1 | -147.4 | -69.7 | 0 | 0 | 109.4 | C1279 R1280 A1282 | Q1277-C1279 WeakPolarHBondContact CG-O 3.42Å; Q1277-C1279 PolarHBondContact NE2-O 2.84Å; Q1277-C1279 CarbonylContact O-C 3.16Å; Q1277-C1279 PolarHBondContact O-N 2.8Å; Q1277-C1279 VanDerWaalsContact O-O 3.1Å; Q1277-R1280 PolarHBondContact NE2-O 3.05Å; Q1277-A1282 HydrophobicContact CG-CB 3.57Å | ||
| 1278 | D | 56.5 | Low | 59.8 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | trans | -72.1 | -19.4 | -170.8 | -70 | -6 | 0 | 0 | 0 | 110.5 | I1267 M1271 R1276 D1284 | I1267-D1278 HydrophobicContact CG2-CB 4.33Å; M1271-D1278 HydrophobicContact CE-CB 4.23Å; R1276-D1278 VanDerWaalsContact C-N 3.35Å; R1276-D1278 WeakPolarHBondContact CB-OD1 3.48Å; R1276-D1278 IonicContact CZ-OD2 2.8Å; R1276-D1278 IonicContact NE-OD1 3.02Å; R1276-D1278 PolarHBondContact NE-OD1 2.79Å; R1276-D1278 IonicContact NE-OD2 3.36Å; R1276-D1278 PolarHBondContact NE-OD2 3.08Å; R1276-D1278 IonicContact NH2-OD2 2.75Å; R1276-D1278 PolarHBondContact NH2-OD2 3.05Å; R1276-D1278 PolarHBondContact O-N 2.84Å; D1278-D1284 PolarHBondContact N-OD2 2.82Å | ||
| 1279 | C | 67 | Low | 59.3 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.2 | 126.4 | 153.9 | -64 | 0 | 0 | 0 | 0 | 113.3 | C1261 Q1277 D1281 A1282 D1284 | C1261-C1279 WeakPolarHBondContact CA-SG 3.4Å; C1261-C1279 HydrophobicContact CB-CB 3.68Å; C1261-C1279 WeakPolarHBondContact CB-SG 3.49Å; C1261-C1279 WeakPolarHBondContact SG-CA 3.4Å; C1261-C1279 WeakPolarHBondContact SG-CB 3.39Å; C1261-C1279 CovalentContact SG-SG 2.01Å; C1261-C1279 PolarHBondContact SG-SG 2.84Å; Q1277-C1279 WeakPolarHBondContact CG-O 3.42Å; Q1277-C1279 PolarHBondContact NE2-O 2.84Å; Q1277-C1279 CarbonylContact O-C 3.16Å; Q1277-C1279 PolarHBondContact O-N 2.8Å; Q1277-C1279 VanDerWaalsContact O-O 3.1Å; C1279-D1281 PolarHBondContact O-N 3.23Å; C1279-D1281 VanDerWaalsContact O-N 3.08Å; C1279-A1282 WeakPolarHBondContact O-CA 3.27Å; C1279-A1282 PolarHBondContact O-N 2.86Å; C1279-D1284 HydrophobicContact CB-CB 3.93Å; C1279-D1284 WeakPolarHBondContact SG-CB 3.01Å; C1279-D1284 PolarHBondContact SG-N 3.12Å |
| 1280 | R | 64.1 | Low | 58.5 | Low | 206 Ų | 206 | 71.8 Ų | 71.8 | 78% | 0.777 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.7 | 169.5 | -169.9 | 174.3 | -178.6 | 171.6 | 0.7 | 115.1 | S1263 Q1277 | S1263-R1280 PolarHBondContact OG-N 3.14Å; Q1277-R1280 PolarHBondContact NE2-O 3.05Å |
| 1281 | D | 61 | Low | 58.1 | Low | 104 Ų | 104 | 76.3 Ų | 76.3 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 25.3 | 172.4 | -175.4 | 60.4 | 0 | 0 | 0 | 112.6 | S1262 S1263 C1279 S1283 | S1262-D1281 VanDerWaalsContact CB-OD2 3.3Å; S1262-D1281 WeakPolarHBondContact CB-OD2 3.4Å; S1262-D1281 WeakPolarHBondContact OG-CB 3.46Å; S1262-D1281 PolarHBondContact OG-OD2 3.33Å; S1263-D1281 PolarHBondContact OG-N 3.08Å; C1279-D1281 PolarHBondContact O-N 3.23Å; C1279-D1281 VanDerWaalsContact O-N 3.08Å; D1281-S1283 PolarHBondContact O-N 3.28Å |
| 1282 | A | 60.5 | Low | 57.5 | Low | 31 Ų | 31 | 74.9 Ų | 74.9 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 59.5 | -0.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | Q1277 C1279 D1284 E1285 | Q1277-A1282 HydrophobicContact CG-CB 3.57Å; C1279-A1282 WeakPolarHBondContact O-CA 3.27Å; C1279-A1282 PolarHBondContact O-N 2.86Å; A1282-D1284 PolarHBondContact O-N 2.83Å; A1282-D1284 VanDerWaalsContact O-N 3.11Å; A1282-E1285 PolarHBondContact O-N 2.93Å |
| 1283 | S | 66.9 | Low | 57.3 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -60.4 | -26.6 | -172.8 | -80 | 0 | 0 | 0 | 0 | 116.1 | Y1259 S1262 D1281 E1285 T1286 | Y1259-S1283 PolarHBondContact OH-O 2.9Å; S1262-S1283 WeakPolarHBondContact CB-OG 3.38Å; S1262-S1283 VanDerWaalsContact OG-CB 3.29Å; S1262-S1283 WeakPolarHBondContact OG-CB 3.36Å; S1262-S1283 PolarHBondContact OG-OG 3.26Å; D1281-S1283 PolarHBondContact O-N 3.28Å; S1283-E1285 VanDerWaalsContact C-N 3.29Å; S1283-E1285 PolarHBondContact O-N 3.33Å; S1283-T1286 VanDerWaalsContact CA-OG1 3.31Å; S1283-T1286 WeakPolarHBondContact CA-OG1 3.37Å; S1283-T1286 PolarHBondContact O-N 3.04Å; S1283-T1286 PolarHBondContact O-OG1 3.24Å |
| 1284 | D | 65.1 | Low | 56.4 | Low | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -36.5 | -58.8 | 163.1 | 163.1 | 11.8 | 0 | 0 | 0 | 111.9 | I1267 M1271 R1272 C1273 R1276 D1278 C1279 A1282 T1286 C1288 | I1267-D1284 HydrophobicContact CD1-CB 3.68Å; M1271-D1284 VanDerWaalsContact O-OD1 3.11Å; R1272-D1284 VanDerWaalsContact CA-OD1 3.3Å; R1272-D1284 WeakPolarHBondContact CA-OD1 3.14Å; C1273-D1284 PolarHBondContact N-OD1 3.35Å; R1276-D1284 VanDerWaalsContact O-OD2 3.06Å; D1278-D1284 PolarHBondContact N-OD2 2.82Å; C1279-D1284 HydrophobicContact CB-CB 3.93Å; C1279-D1284 WeakPolarHBondContact SG-CB 3.01Å; C1279-D1284 PolarHBondContact SG-N 3.12Å; A1282-D1284 PolarHBondContact O-N 2.83Å; A1282-D1284 VanDerWaalsContact O-N 3.11Å; D1284-T1286 PolarHBondContact O-N 3.43Å; D1284-C1288 PolarHBondContact O-SG 2.81Å |
| 1285 | E | 68.4 | Low | 56.3 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -79.9 | -0.6 | -177.1 | -71.9 | -81.1 | 89.4 | 0 | 0 | 113.4 | G1275 R1276 A1282 S1283 | G1275-E1285 WeakPolarHBondContact CA-OE1 3.39Å; G1275-E1285 WeakPolarHBondContact CA-OE2 3.43Å; G1275-E1285 PolarHBondContact N-OE1 2.76Å; R1276-E1285 WeakPolarHBondContact O-CG 3.04Å; A1282-E1285 PolarHBondContact O-N 2.93Å; S1283-E1285 VanDerWaalsContact C-N 3.29Å; S1283-E1285 PolarHBondContact O-N 3.33Å |
| 1286 | T | 58.9 | Low | 56.4 | Low | 80 Ų | 80 | 82.3 Ų | 82.3 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -98.1 | 122.9 | -176.6 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | S1283 D1284 | S1283-T1286 VanDerWaalsContact CA-OG1 3.31Å; S1283-T1286 WeakPolarHBondContact CA-OG1 3.37Å; S1283-T1286 PolarHBondContact O-N 3.04Å; S1283-T1286 PolarHBondContact O-OG1 3.24Å; D1284-T1286 PolarHBondContact O-N 3.43Å |
| 1287 | G | 50.6 | Low | 56.9 | Low | 66 Ų | 66 | 79.8 Ų | 79.8 | 68% | 0.68 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 76.2 | 38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1272 P1289 | R1272-G1287 PolarHBondContact NH2-O 2.95Å; G1287-P1289 WeakPolarHBondContact O-CD 3.46Å |
| 1288 | C | 52.3 | Low | 57.2 | Low | 41 Ų | 41 | 77.5 Ų | 77.5 | 28% | 0.277 | 42% | 0.418 | S | S | . | . | trans | -103.4 | 113.3 | -171.4 | -90.7 | 0 | 0 | 0 | 0 | 114.4 | C1273 D1284 | C1273-C1288 WeakPolarHBondContact CA-SG 3.34Å; C1273-C1288 HydrophobicContact CB-CB 3.41Å; C1273-C1288 VanDerWaalsContact CB-CB 3.41Å; C1273-C1288 WeakPolarHBondContact CB-SG 3.2Å; C1273-C1288 WeakPolarHBondContact SG-CA 3.04Å; C1273-C1288 WeakPolarHBondContact SG-CB 3Å; C1273-C1288 CovalentContact SG-SG 2.01Å; C1273-C1288 PolarHBondContact SG-SG 3.29Å; D1284-C1288 PolarHBondContact O-SG 2.81Å | ||
| 1289 | P | 48 | Very low | 57.5 | Low | 87 Ų | 87 | 75.3 Ų | 75.3 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | trans | -92.2 | 132.9 | 173.3 | -2.2 | 22.9 | 0 | 0 | 0 | 111.3 | G1287 R1291 | G1287-P1289 WeakPolarHBondContact O-CD 3.46Å; P1289-R1291 PolarHBondContact O-N 3.19Å | ||
| 1290 | P | 47 | Very low | 57.1 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | trans | -68.8 | 116.3 | -175.6 | 26.9 | -34.6 | 0 | 0 | 0 | 112.1 | ||||
| 1291 | R | 48 | Very low | 56.8 | Low | 221 Ų | 221 | 70.9 Ų | 70.9 | 83% | 0.834 | 41% | 0.407 | S | S | * | . | trans | -151.5 | 105.5 | 175.3 | -71.2 | -166 | 171.5 | 174.1 | -2.5 | 113.6 | P1289 | P1289-R1291 PolarHBondContact O-N 3.19Š| ||
| 1292 | C | 49.4 | Very low | 56.7 | Low | 28 Ų | 28 | 67.7 Ų | 67.7 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 154.1 | 162.1 | -47.7 | 0 | 0 | 0 | 0 | 110.8 | Q1296 Q1298 C1304 | C1292-Q1296 HydrophobicContact CB-CB 3.78Å; C1292-Q1298 VanDerWaalsContact SG-CA 3.54Å; C1292-Q1298 WeakPolarHBondContact SG-CB 3.14Å; C1292-Q1298 VanDerWaalsContact SG-CG 3.57Å; C1292-C1304 WeakPolarHBondContact CA-SG 3.27Å; C1292-C1304 HydrophobicContact CB-CB 3.61Å; C1292-C1304 WeakPolarHBondContact CB-SG 3.16Å; C1292-C1304 PolarHBondContact N-SG 3.44Å; C1292-C1304 VanDerWaalsContact N-SG 3.43Å; C1292-C1304 WeakPolarHBondContact SG-CA 3.35Å; C1292-C1304 WeakPolarHBondContact SG-CB 3.18Å; C1292-C1304 CovalentContact SG-SG 2.03Å; C1292-C1304 PolarHBondContact SG-SG 3.33Å |
| 1293 | R | 49.7 | Very low | 56.4 | Low | 137 Ų | 137 | 69.3 Ų | 69.3 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 154 | 177.3 | -67.7 | -179.4 | 170.6 | 83.8 | -1.3 | 110.8 | G1295 Q1296 | R1293-G1295 PolarHBondContact O-N 3.27Å; R1293-G1295 VanDerWaalsContact O-N 3.14Å; R1293-Q1296 VanDerWaalsContact N-OE1 3.15Å; R1293-Q1296 WeakPolarHBondContact O-CA 3.4Å; R1293-Q1296 WeakPolarHBondContact O-CB 3.24Å; R1293-Q1296 PolarHBondContact O-N 2.03Å |
| 1294 | P | 48.6 | Very low | 56.3 | Low | 143 Ų | 143 | 70.4 Ų | 70.4 | 93% | 0.929 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 117.9 | 179.6 | -21.6 | 33.8 | 0 | 0 | 0 | 111 | ||
| 1295 | G | 47.4 | Very low | 55.8 | Low | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.5 | -15.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1293 Q1307 | R1293-G1295 PolarHBondContact O-N 3.27Å; R1293-G1295 VanDerWaalsContact O-N 3.14Å; G1295-Q1307 WeakPolarHBondContact O-CB 3.44Å; G1295-Q1307 WeakPolarHBondContact O-CG 3.44Å; G1295-Q1307 PolarHBondContact O-N 3.31Å |
| 1296 | Q | 62.3 | Low | 55.3 | Low | 50 Ų | 50 | 71.3 Ų | 71.3 | 23% | 0.234 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143 | 165.3 | -69.3 | 167.1 | -20.6 | 0 | 0 | 110.9 | C1292 R1293 I1305 E1306 | C1292-Q1296 HydrophobicContact CB-CB 3.78Å; R1293-Q1296 VanDerWaalsContact N-OE1 3.15Å; R1293-Q1296 WeakPolarHBondContact O-CA 3.4Å; R1293-Q1296 WeakPolarHBondContact O-CB 3.24Å; R1293-Q1296 PolarHBondContact O-N 2.03Å; Q1296-I1305 CarbonylContact C-O 3.55Å; Q1296-I1305 WeakPolarHBondContact CA-O 3.32Å; Q1296-I1305 VanDerWaalsContact CB-O 3.3Å; Q1296-I1305 WeakPolarHBondContact CB-O 3.32Å; Q1296-E1306 HydrophobicContact CG-CB 4.48Å; Q1296-E1306 HydrophobicContact CG-CG 3.83Å |
| 1297 | Y | 63.5 | Low | 55.5 | Low | 63 Ų | 63 | 73.4 Ų | 73.4 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 146.3 | 171.8 | 167.4 | -109.1 | 0 | 0 | 0 | 109.5 | C1304 I1305 R1310 S1321 | Y1297-C1304 WeakPolarHBondContact O-CA 3.27Å; Y1297-I1305 HydrophobicContact CD1-CD1 3.82Å; Y1297-I1305 HydrophobicContact CD1-CG1 4.03Å; Y1297-I1305 HydrophobicContact CE1-CD1 4.42Å; Y1297-I1305 PolarHBondContact N-O 2.98Å; Y1297-I1305 PolarHBondContact O-N 3.19Å; Y1297-R1310 HydrophobicContact CD1-CB 4.19Å; Y1297-R1310 HydrophobicContact CD1-CG 3.81Å; Y1297-R1310 HydrophobicContact CE1-CG 4.05Å; Y1297-R1310 HydrophobicContact CG-CB 4.5Å; Y1297-R1310 HydrophobicContact CG-CG 4.25Å; Y1297-S1321 PolarHBondContact OH-O 2.87Å |
| 1298 | Q | 66 | Low | 55.8 | Low | 70 Ų | 70 | 75.8 Ų | 75.8 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.6 | 176.6 | -163.8 | 149.8 | 30.6 | 0 | 0 | 111.3 | C1292 G1302 E1303 | C1292-Q1298 VanDerWaalsContact SG-CA 3.54Å; C1292-Q1298 WeakPolarHBondContact SG-CB 3.14Å; C1292-Q1298 VanDerWaalsContact SG-CG 3.57Å; Q1298-G1302 PolarHBondContact NE2-O 3.31Å; Q1298-E1303 WeakPolarHBondContact CA-O 3.29Å |
| 1299 | C | 62.8 | Low | 56.1 | Low | 6 Ų | 6 | 77.2 Ų | 77.2 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 149.7 | 166.7 | -68.4 | 0 | 0 | 0 | 0 | 112 | S1301 G1302 E1303 C1317 | C1299-S1301 VanDerWaalsContact CB-OG 3.31Å; C1299-S1301 WeakPolarHBondContact CB-OG 3.23Å; C1299-S1301 PolarHBondContact O-N 3.5Å; C1299-G1302 PolarHBondContact O-N 3.47Å; C1299-E1303 HydrophobicContact CB-CB 4.12Å; C1299-E1303 WeakPolarHBondContact CB-O 3.34Å; C1299-E1303 PolarHBondContact N-O 3.21Å; C1299-C1317 WeakPolarHBondContact CA-SG 3.43Å; C1299-C1317 HydrophobicContact CB-CB 3.74Å; C1299-C1317 WeakPolarHBondContact CB-SG 3.39Å; C1299-C1317 WeakPolarHBondContact SG-CA 3.45Å; C1299-C1317 WeakPolarHBondContact SG-CB 3.43Å; C1299-C1317 CovalentContact SG-SG 2.02Å; C1299-C1317 PolarHBondContact SG-SG 2.89Å |
| 1300 | S | 58.3 | Low | 56.3 | Low | 66 Ų | 66 | 77.1 Ų | 77.1 | 46% | 0.462 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.4 | 163.4 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | G1302 D1319 S1321 | S1300-G1302 PolarHBondContact O-N 3.03Å; S1300-D1319 VanDerWaalsContact CB-OD2 3.32Å; S1300-D1319 WeakPolarHBondContact CB-OD2 3.39Å; S1300-D1319 WeakPolarHBondContact OG-CB 3.37Å; S1300-D1319 PolarHBondContact OG-OD2 2.87Å; S1300-S1321 VanDerWaalsContact CB-OG 3.23Å; S1300-S1321 WeakPolarHBondContact CB-OG 3.08Å; S1300-S1321 VanDerWaalsContact OG-CB 3.31Å; S1300-S1321 WeakPolarHBondContact OG-CB 3.46Å; S1300-S1321 PolarHBondContact OG-OG 2.03Å |
| 1301 | S | 58.6 | Low | 57.1 | Low | 47 Ų | 47 | 74.1 Ų | 74.1 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.2 | 171.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | C1299 E1303 R1318 | C1299-S1301 VanDerWaalsContact CB-OG 3.31Å; C1299-S1301 WeakPolarHBondContact CB-OG 3.23Å; C1299-S1301 PolarHBondContact O-N 3.5Å; S1301-E1303 PolarHBondContact OG-OE1 3.5Å; S1301-R1318 PolarHBondContact OG-N 3.06Å |
| 1302 | G | 57.7 | Low | 57.1 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 101.7 | -25.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q1298 C1299 S1300 | Q1298-G1302 PolarHBondContact NE2-O 3.31Å; C1299-G1302 PolarHBondContact O-N 3.47Å; S1300-G1302 PolarHBondContact O-N 3.03Å |
| 1303 | E | 55.1 | Low | 57.5 | Low | 64 Ų | 64 | 67.6 Ų | 67.6 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | trans | -63.2 | 154.9 | -176.2 | -64.5 | 164.1 | -87.7 | 0 | 0 | 113.4 | Q1298 C1299 S1301 R1318 | Q1298-E1303 WeakPolarHBondContact CA-O 3.29Å; C1299-E1303 HydrophobicContact CB-CB 4.12Å; C1299-E1303 WeakPolarHBondContact CB-O 3.34Å; C1299-E1303 PolarHBondContact N-O 3.21Å; S1301-E1303 PolarHBondContact OG-OE1 3.5Å; E1303-R1318 WeakPolarHBondContact OE1-CB 3.38Å; E1303-R1318 PolarHBondContact OE1-N 3.39Å | ||
| 1304 | C | 63.9 | Low | 57.7 | Low | 48 Ų | 48 | 67.9 Ų | 67.9 | 32% | 0.324 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 78.3 | -169.9 | -72.8 | 0 | 0 | 0 | 0 | 112.8 | C1292 Y1297 | C1292-C1304 WeakPolarHBondContact CA-SG 3.27Å; C1292-C1304 HydrophobicContact CB-CB 3.61Å; C1292-C1304 WeakPolarHBondContact CB-SG 3.16Å; C1292-C1304 PolarHBondContact N-SG 3.44Å; C1292-C1304 VanDerWaalsContact N-SG 3.43Å; C1292-C1304 WeakPolarHBondContact SG-CA 3.35Å; C1292-C1304 WeakPolarHBondContact SG-CB 3.18Å; C1292-C1304 CovalentContact SG-SG 2.03Å; C1292-C1304 PolarHBondContact SG-SG 3.33Å; Y1297-C1304 WeakPolarHBondContact O-CA 3.27Å |
| 1305 | I | 56.2 | Low | 58.2 | Low | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 149.2 | 177.9 | 68.3 | -159.6 | 0 | 0 | 0 | 110.7 | Q1296 Y1297 M1309 D1316 D1322 | Q1296-I1305 CarbonylContact C-O 3.55Å; Q1296-I1305 WeakPolarHBondContact CA-O 3.32Å; Q1296-I1305 VanDerWaalsContact CB-O 3.3Å; Q1296-I1305 WeakPolarHBondContact CB-O 3.32Å; Y1297-I1305 HydrophobicContact CD1-CD1 3.82Å; Y1297-I1305 HydrophobicContact CD1-CG1 4.03Å; Y1297-I1305 HydrophobicContact CE1-CD1 4.42Å; Y1297-I1305 PolarHBondContact N-O 2.98Å; Y1297-I1305 PolarHBondContact O-N 3.19Å; I1305-M1309 HydrophobicContact CB-CB 4.08Å; I1305-M1309 HydrophobicContact CB-CE 4.22Å; I1305-M1309 WeakPolarHBondContact CD1-O 3.14Å; I1305-M1309 WeakPolarHBondContact CG1-O 3.38Å; I1305-M1309 HydrophobicContact CG2-CE 4.18Å; I1305-D1316 HydrophobicContact CG2-CB 4.38Å; I1305-D1322 HydrophobicContact CD1-CB 3.79Å |
| 1306 | E | 57.9 | Low | 58.5 | Low | 89 Ų | 89 | 67.3 Ų | 67.3 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 151.3 | 170.8 | -72.5 | -163.2 | 170.4 | 0 | 0 | 111 | Q1296 Q1308 M1309 R1310 | Q1296-E1306 HydrophobicContact CG-CB 4.48Å; Q1296-E1306 HydrophobicContact CG-CG 3.83Å; E1306-Q1308 HydrophobicContact CB-CG 3.97Å; E1306-Q1308 PolarHBondContact O-N 3.15Å; E1306-Q1308 PolarHBondContact OE2-NE2 2.98Å; E1306-M1309 CarbonylContact O-C 3.52Å; E1306-M1309 VanDerWaalsContact O-CA 3.32Å; E1306-M1309 WeakPolarHBondContact O-CA 3.16Å; E1306-M1309 PolarHBondContact O-N 2.68Å; E1306-R1310 PolarHBondContact O-N 2.86Å |
| 1307 | Q | 62.9 | Low | 58.5 | Low | 125 Ų | 125 | 64.9 Ų | 64.9 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10.4 | -180 | -77.8 | 179.7 | 15.2 | 0 | 0 | 114.1 | G1295 | G1295-Q1307 WeakPolarHBondContact O-CB 3.44Å; G1295-Q1307 WeakPolarHBondContact O-CG 3.44Å; G1295-Q1307 PolarHBondContact O-N 3.31Å |
| 1308 | Q | 56.9 | Low | 58.5 | Low | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -14.6 | 170.7 | 55.5 | 178.5 | -19.1 | 0 | 0 | 114.2 | E1306 | E1306-Q1308 HydrophobicContact CB-CG 3.97Å; E1306-Q1308 PolarHBondContact O-N 3.15Å; E1306-Q1308 PolarHBondContact OE2-NE2 2.98Å |
| 1309 | M | 58.2 | Low | 58.1 | Low | 71 Ų | 71 | 72.5 Ų | 72.5 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -97.6 | 35.9 | 156.5 | -72.6 | 163.9 | 45.5 | 0 | 0 | 108.9 | I1305 E1306 D1316 | I1305-M1309 HydrophobicContact CB-CB 4.08Å; I1305-M1309 HydrophobicContact CB-CE 4.22Å; I1305-M1309 WeakPolarHBondContact CD1-O 3.14Å; I1305-M1309 WeakPolarHBondContact CG1-O 3.38Å; I1305-M1309 HydrophobicContact CG2-CE 4.18Å; E1306-M1309 CarbonylContact O-C 3.52Å; E1306-M1309 VanDerWaalsContact O-CA 3.32Å; E1306-M1309 WeakPolarHBondContact O-CA 3.16Å; E1306-M1309 PolarHBondContact O-N 2.68Å; M1309-D1316 HydrophobicContact CE-CB 4.49Å |
| 1310 | R | 52.1 | Low | 57.9 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 32% | 0.317 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -120.2 | 126.4 | 158.5 | -171.4 | -169.5 | 175.2 | -108.2 | -17.4 | 106.1 | Y1297 E1306 D1322 T1324 | Y1297-R1310 HydrophobicContact CD1-CB 4.19Å; Y1297-R1310 HydrophobicContact CD1-CG 3.81Å; Y1297-R1310 HydrophobicContact CE1-CG 4.05Å; Y1297-R1310 HydrophobicContact CG-CB 4.5Å; Y1297-R1310 HydrophobicContact CG-CG 4.25Å; E1306-R1310 PolarHBondContact O-N 2.86Å; R1310-D1322 WeakPolarHBondContact CA-OD1 3.32Å; R1310-T1324 PolarHBondContact NH2-O 2.87Å; R1310-T1324 VanDerWaalsContact NH2-O 3.15Å |
| 1311 | C | 63.1 | Low | 58.3 | Low | 37 Ų | 37 | 71.5 Ų | 71.5 | 25% | 0.25 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 73.3 | 33 | -177 | -51.1 | 0 | 0 | 0 | 0 | 115.6 | D1322 E1323 C1326 | C1311-D1322 PolarHBondContact N-OD1 3.05Å; C1311-E1323 WeakPolarHBondContact CA-OE1 3.47Å; C1311-C1326 WeakPolarHBondContact CA-SG 3.46Å; C1311-C1326 HydrophobicContact CB-CB 3.23Å; C1311-C1326 WeakPolarHBondContact CB-SG 3.38Å; C1311-C1326 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1326 WeakPolarHBondContact SG-CB 3.49Å; C1311-C1326 CovalentContact SG-SG 2.02Å; C1311-C1326 PolarHBondContact SG-SG 2.94Å |
| 1312 | D | 47.7 | Very low | 58.4 | Low | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -94.5 | -5 | -175.4 | 95.5 | -5.7 | 0 | 0 | 0 | 115.2 | R1314 E1323 | D1312-R1314 WeakPolarHBondContact OD1-CB 3.32Å; D1312-R1314 WeakPolarHBondContact OD1-CG 3.44Å; D1312-R1314 PolarHBondContact OD1-N 3.07Å; D1312-R1314 IonicContact OD1-NE 2.73Å; D1312-R1314 PolarHBondContact OD1-NE 2.78Å; D1312-R1314 IonicContact OD2-CZ 3.93Å; D1312-R1314 VanDerWaalsContact OD2-CZ 3.25Å; D1312-R1314 IonicContact OD2-NE 3.12Å; D1312-R1314 PolarHBondContact OD2-NE 3.27Å; D1312-R1314 VanDerWaalsContact OD2-NE 3.08Å; D1312-R1314 IonicContact OD2-NH2 2.72Å; D1312-R1314 PolarHBondContact OD2-NH2 2.87Å; D1312-E1323 PolarHBondContact N-OE1 3.42Å |
| 1313 | G | 59.4 | Low | 58.8 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 99.4 | -2.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1323 | G1313-E1323 VanDerWaalsContact C-OE2 3.31Å; G1313-E1323 VanDerWaalsContact CA-CD 3.48Å; G1313-E1323 WeakPolarHBondContact CA-OE1 3.31Å; G1313-E1323 WeakPolarHBondContact CA-OE2 3.44Å; G1313-E1323 PolarHBondContact N-OE1 3.35Å |
| 1314 | R | 53.9 | Low | 58.8 | Low | 143 Ų | 143 | 71.1 Ų | 71.1 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -119.1 | 148.6 | -178.5 | -58.5 | 178.1 | -72.9 | -166.1 | 5.5 | 111.5 | D1312 D1316 E1323 | D1312-R1314 WeakPolarHBondContact OD1-CB 3.32Å; D1312-R1314 WeakPolarHBondContact OD1-CG 3.44Å; D1312-R1314 PolarHBondContact OD1-N 3.07Å; D1312-R1314 IonicContact OD1-NE 2.73Å; D1312-R1314 PolarHBondContact OD1-NE 2.78Å; D1312-R1314 IonicContact OD2-CZ 3.93Å; D1312-R1314 VanDerWaalsContact OD2-CZ 3.25Å; D1312-R1314 IonicContact OD2-NE 3.12Å; D1312-R1314 PolarHBondContact OD2-NE 3.27Å; D1312-R1314 VanDerWaalsContact OD2-NE 3.08Å; D1312-R1314 IonicContact OD2-NH2 2.72Å; D1312-R1314 PolarHBondContact OD2-NH2 2.87Å; R1314-D1316 WeakPolarHBondContact CB-OD1 3.42Å; R1314-D1316 PolarHBondContact O-N 3.01Å; R1314-E1323 WeakPolarHBondContact O-CG 3.43Å |
| 1315 | Q | 58.9 | Low | 58.2 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | trans | -86.5 | 56.4 | -176.2 | -157 | -149.1 | -69.6 | 0 | 0 | 111.3 | C1317 A1320 | Q1315-C1317 PolarHBondContact NE2-O 2.92Å; Q1315-C1317 CarbonylContact O-C 3.54Å; Q1315-C1317 PolarHBondContact O-N 2.79Å; Q1315-C1317 VanDerWaalsContact O-O 3.09Å; Q1315-A1320 HydrophobicContact CG-CB 3.58Å | ||
| 1316 | D | 52.4 | Low | 58 | Low | 55 Ų | 55 | 73.1 Ų | 73.1 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | trans | -70.4 | -25.3 | -170.3 | -67.3 | -3.6 | 0 | 0 | 0 | 111.5 | I1305 M1309 R1314 D1322 | I1305-D1316 HydrophobicContact CG2-CB 4.38Å; M1309-D1316 HydrophobicContact CE-CB 4.49Å; R1314-D1316 WeakPolarHBondContact CB-OD1 3.42Å; R1314-D1316 PolarHBondContact O-N 3.01Å; D1316-D1322 WeakPolarHBondContact CB-OD2 3.34Å; D1316-D1322 PolarHBondContact N-OD2 3.41Å | ||
| 1317 | C | 62.7 | Low | 57.5 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.1 | 126.1 | 157 | -66.9 | 0 | 0 | 0 | 0 | 112 | C1299 Q1315 D1319 A1320 D1322 | C1299-C1317 WeakPolarHBondContact CA-SG 3.43Å; C1299-C1317 HydrophobicContact CB-CB 3.74Å; C1299-C1317 WeakPolarHBondContact CB-SG 3.39Å; C1299-C1317 WeakPolarHBondContact SG-CA 3.45Å; C1299-C1317 WeakPolarHBondContact SG-CB 3.43Å; C1299-C1317 CovalentContact SG-SG 2.02Å; C1299-C1317 PolarHBondContact SG-SG 2.89Å; Q1315-C1317 PolarHBondContact NE2-O 2.92Å; Q1315-C1317 CarbonylContact O-C 3.54Å; Q1315-C1317 PolarHBondContact O-N 2.79Å; Q1315-C1317 VanDerWaalsContact O-O 3.09Å; C1317-D1319 PolarHBondContact O-N 2.78Å; C1317-A1320 WeakPolarHBondContact O-CA 3.03Å; C1317-A1320 PolarHBondContact O-N 2.91Å; C1317-D1322 HydrophobicContact CB-CB 3.89Å; C1317-D1322 VanDerWaalsContact SG-CB 3.56Å; C1317-D1322 PolarHBondContact SG-N 2.71Å |
| 1318 | R | 63.2 | Low | 56.7 | Low | 190 Ų | 190 | 71.9 Ų | 71.9 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17 | 173.1 | -167.7 | 172.4 | -178.7 | 179.7 | 0.2 | 115.4 | S1301 E1303 | S1301-R1318 PolarHBondContact OG-N 3.06Å; E1303-R1318 WeakPolarHBondContact OE1-CB 3.38Å; E1303-R1318 PolarHBondContact OE1-N 3.39Å |
| 1319 | D | 58 | Low | 56 | Low | 102 Ų | 102 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 25.8 | 172.6 | -175 | 54.7 | 0 | 0 | 0 | 112.7 | S1300 C1317 S1321 | S1300-D1319 VanDerWaalsContact CB-OD2 3.32Å; S1300-D1319 WeakPolarHBondContact CB-OD2 3.39Å; S1300-D1319 WeakPolarHBondContact OG-CB 3.37Å; S1300-D1319 PolarHBondContact OG-OD2 2.87Å; C1317-D1319 PolarHBondContact O-N 2.78Å; D1319-S1321 PolarHBondContact O-N 2.85Å |
| 1320 | A | 58.6 | Low | 55.7 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 59.9 | -1.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q1315 C1317 D1322 E1323 T1324 | Q1315-A1320 HydrophobicContact CG-CB 3.58Å; C1317-A1320 WeakPolarHBondContact O-CA 3.03Å; C1317-A1320 PolarHBondContact O-N 2.91Å; A1320-D1322 PolarHBondContact O-N 2.81Å; A1320-E1323 PolarHBondContact O-N 2.63Å; A1320-T1324 PolarHBondContact O-N 3.07Å |
| 1321 | S | 66.2 | Low | 55.6 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.8 | -174.4 | -77.8 | 0 | 0 | 0 | 0 | 116.2 | Y1297 S1300 D1319 T1324 | Y1297-S1321 PolarHBondContact OH-O 2.87Å; S1300-S1321 VanDerWaalsContact CB-OG 3.23Å; S1300-S1321 WeakPolarHBondContact CB-OG 3.08Å; S1300-S1321 VanDerWaalsContact OG-CB 3.31Å; S1300-S1321 WeakPolarHBondContact OG-CB 3.46Å; S1300-S1321 PolarHBondContact OG-OG 2.03Å; D1319-S1321 PolarHBondContact O-N 2.85Å; S1321-T1324 WeakPolarHBondContact CA-OG1 3.22Å; S1321-T1324 PolarHBondContact O-N 2.99Å; S1321-T1324 PolarHBondContact O-OG1 2.86Å |
| 1322 | D | 61.3 | Low | 54.7 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -68.5 | 163.1 | 175.7 | -10 | 0 | 0 | 0 | 110.3 | I1305 R1310 C1311 D1316 C1317 A1320 T1324 C1326 | I1305-D1322 HydrophobicContact CD1-CB 3.79Å; R1310-D1322 WeakPolarHBondContact CA-OD1 3.32Å; C1311-D1322 PolarHBondContact N-OD1 3.05Å; D1316-D1322 WeakPolarHBondContact CB-OD2 3.34Å; D1316-D1322 PolarHBondContact N-OD2 3.41Å; C1317-D1322 HydrophobicContact CB-CB 3.89Å; C1317-D1322 VanDerWaalsContact SG-CB 3.56Å; C1317-D1322 PolarHBondContact SG-N 2.71Å; A1320-D1322 PolarHBondContact O-N 2.81Å; D1322-T1324 PolarHBondContact O-N 3.11Å; D1322-C1326 PolarHBondContact O-SG 2.75Å |
| 1323 | E | 66.3 | Low | 54.7 | Low | 66 Ų | 66 | 73.1 Ų | 73.1 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.6 | -175.1 | -73 | -74.6 | 95.5 | 0 | 0 | 114.1 | C1311 D1312 G1313 R1314 A1320 G1325 | C1311-E1323 WeakPolarHBondContact CA-OE1 3.47Å; D1312-E1323 PolarHBondContact N-OE1 3.42Å; G1313-E1323 VanDerWaalsContact C-OE2 3.31Å; G1313-E1323 VanDerWaalsContact CA-CD 3.48Å; G1313-E1323 WeakPolarHBondContact CA-OE1 3.31Å; G1313-E1323 WeakPolarHBondContact CA-OE2 3.44Å; G1313-E1323 PolarHBondContact N-OE1 3.35Å; R1314-E1323 WeakPolarHBondContact O-CG 3.43Å; A1320-E1323 PolarHBondContact O-N 2.63Å; E1323-G1325 PolarHBondContact O-N 2.76Å |
| 1324 | T | 55 | Low | 54.9 | Low | 76 Ų | 76 | 72.8 Ų | 72.8 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 112.8 | 178.5 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | R1310 A1320 S1321 D1322 | R1310-T1324 PolarHBondContact NH2-O 2.87Å; R1310-T1324 VanDerWaalsContact NH2-O 3.15Å; A1320-T1324 PolarHBondContact O-N 3.07Å; S1321-T1324 WeakPolarHBondContact CA-OG1 3.22Å; S1321-T1324 PolarHBondContact O-N 2.99Å; S1321-T1324 PolarHBondContact O-OG1 2.86Å; D1322-T1324 PolarHBondContact O-N 3.11Å |
| 1325 | G | 52.1 | Low | 55.4 | Low | 69 Ų | 69 | 68.1 Ų | 68.1 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1323 | E1323-G1325 PolarHBondContact O-N 2.76Š|
| 1326 | C | 50.5 | Low | 55.8 | Low | 34 Ų | 34 | 65.7 Ų | 65.7 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | trans | -120.5 | 104.1 | -166.7 | -77.2 | 0 | 0 | 0 | 0 | 113.5 | C1311 D1322 | C1311-C1326 WeakPolarHBondContact CA-SG 3.46Å; C1311-C1326 HydrophobicContact CB-CB 3.23Å; C1311-C1326 WeakPolarHBondContact CB-SG 3.38Å; C1311-C1326 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1326 WeakPolarHBondContact SG-CB 3.49Å; C1311-C1326 CovalentContact SG-SG 2.02Å; C1311-C1326 PolarHBondContact SG-SG 2.94Å; D1322-C1326 PolarHBondContact O-SG 2.75Å | ||
| 1327 | P | 47.4 | Very low | 56.2 | Low | 105 Ų | 105 | 63.3 Ų | 63.3 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | trans | -81.3 | 141.2 | 173.4 | -11.3 | 29.3 | 0 | 0 | 0 | 111.6 | ||||
| 1328 | P | 47.1 | Very low | 56.2 | Low | 83 Ų | 83 | 66.5 Ų | 66.5 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | trans | -76 | 134.9 | -170 | 30 | -35.9 | 0 | 0 | 0 | 113.5 | ||||
| 1329 | R | 41.4 | Very low | 55.9 | Low | 100 Ų | 100 | 59.5 Ų | 59.5 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | trans | -146.1 | 121 | 165.6 | -79 | -171 | 170.2 | 140.9 | -8.7 | 111.2 | E1002 Q1004 M1005 | E1002-R1329 IonicContact OE2-CZ 3.27Å; E1002-R1329 IonicContact OE2-NH1 3.22Å; E1002-R1329 PolarHBondContact OE2-NH1 3.28Å; E1002-R1329 IonicContact OE2-NH2 2.89Å; E1002-R1329 PolarHBondContact OE2-NH2 2.82Å; Q1004-R1329 VanDerWaalsContact CD-CZ 3.43Å; M1005-R1329 PolarHBondContact SD-NH2 2.88Å | ||
| 1330 | C | 52.8 | Low | 55.9 | Low | 22 Ų | 22 | 56.5 Ų | 56.5 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 162.1 | 156.8 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | Q1334 Q1336 C1342 | C1330-Q1334 HydrophobicContact CB-CB 3.84Å; C1330-Q1336 HydrophobicContact CB-CB 4.41Å; C1330-Q1336 VanDerWaalsContact SG-CA 3.6Å; C1330-Q1336 WeakPolarHBondContact SG-CB 3.34Å; C1330-Q1336 WeakPolarHBondContact SG-CG 3.21Å; C1330-C1342 WeakPolarHBondContact CA-SG 3.32Å; C1330-C1342 HydrophobicContact CB-CB 3.71Å; C1330-C1342 WeakPolarHBondContact CB-SG 3.3Å; C1330-C1342 WeakPolarHBondContact SG-CA 3.3Å; C1330-C1342 WeakPolarHBondContact SG-CB 3Å; C1330-C1342 CovalentContact SG-SG 2.03Å; C1330-C1342 PolarHBondContact SG-SG 2.82Å |
| 1331 | R | 49.4 | Very low | 55.8 | Low | 147 Ų | 147 | 59.2 Ų | 59.2 | 56% | 0.555 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 144.5 | 175.4 | -63.9 | -179.1 | 171.3 | 87.1 | -2.9 | 109.7 | G1333 Q1334 | R1331-G1333 PolarHBondContact O-N 3.23Å; R1331-Q1334 HydrophobicContact CB-CG 4.46Å; R1331-Q1334 WeakPolarHBondContact O-CA 3.19Å; R1331-Q1334 VanDerWaalsContact O-CB 3.29Å; R1331-Q1334 WeakPolarHBondContact O-CB 3.4Å; R1331-Q1334 PolarHBondContact O-N 3.28Å |
| 1332 | P | 45.5 | Very low | 55.7 | Low | 82 Ų | 82 | 60.9 Ų | 60.9 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 127.1 | 172.4 | -25.3 | 35.2 | 0 | 0 | 0 | 110.8 | Q1004 | Q1004-P1332 HydrophobicContact CB-CG 4.27Š|
| 1333 | G | 47.6 | Very low | 55.7 | Low | 39 Ų | 39 | 61.5 Ų | 61.5 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -15.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1331 Q1345 | R1331-G1333 PolarHBondContact O-N 3.23Å; G1333-Q1345 WeakPolarHBondContact O-CB 2.96Å; G1333-Q1345 WeakPolarHBondContact O-CG 3.47Å; G1333-Q1345 PolarHBondContact O-N 3.49Å |
| 1334 | Q | 63.7 | Low | 55.1 | Low | 49 Ų | 49 | 62.8 Ų | 62.8 | 23% | 0.229 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.6 | 161.2 | -68.1 | 176.1 | -31.4 | 0 | 0 | 110.1 | C1330 R1331 C1342 I1343 E1344 | C1330-Q1334 HydrophobicContact CB-CB 3.84Å; R1331-Q1334 HydrophobicContact CB-CG 4.46Å; R1331-Q1334 WeakPolarHBondContact O-CA 3.19Å; R1331-Q1334 VanDerWaalsContact O-CB 3.29Å; R1331-Q1334 WeakPolarHBondContact O-CB 3.4Å; R1331-Q1334 PolarHBondContact O-N 3.28Å; Q1334-C1342 HydrophobicContact CB-CB 4.49Å; Q1334-I1343 CarbonylContact C-O 3.48Å; Q1334-I1343 VanDerWaalsContact C-O 3.3Å; Q1334-I1343 WeakPolarHBondContact CA-O 3.39Å; Q1334-I1343 VanDerWaalsContact CB-O 3.27Å; Q1334-I1343 WeakPolarHBondContact CB-O 3.46Å; Q1334-E1344 HydrophobicContact CG-CG 4.17Å |
| 1335 | Y | 63 | Low | 55.4 | Low | 46 Ų | 46 | 63.9 Ų | 63.9 | 18% | 0.18 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.9 | 170.7 | 172.1 | -121.5 | 0 | 0 | 0 | 109.4 | I1343 R1348 S1359 | Y1335-I1343 HydrophobicContact CD1-CD1 3.82Å; Y1335-I1343 HydrophobicContact CD1-CG1 4.11Å; Y1335-I1343 PolarHBondContact N-O 2.7Å; Y1335-I1343 WeakPolarHBondContact O-CG1 3.19Å; Y1335-I1343 PolarHBondContact O-N 3.05Å; Y1335-R1348 HydrophobicContact CD1-CB 3.95Å; Y1335-R1348 HydrophobicContact CD1-CG 3.59Å; Y1335-R1348 HydrophobicContact CE1-CG 3.79Å; Y1335-R1348 HydrophobicContact CG-CB 4.39Å; Y1335-R1348 HydrophobicContact CG-CG 4.19Å; Y1335-S1359 PolarHBondContact OH-O 3.08Å |
| 1336 | Q | 67 | Low | 55.4 | Low | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120 | 168.5 | -160.3 | 151.3 | 32.2 | 0 | 0 | 110.1 | C1330 G1340 | C1330-Q1336 HydrophobicContact CB-CB 4.41Å; C1330-Q1336 VanDerWaalsContact SG-CA 3.6Å; C1330-Q1336 WeakPolarHBondContact SG-CB 3.34Å; C1330-Q1336 WeakPolarHBondContact SG-CG 3.21Å; Q1336-G1340 PolarHBondContact NE2-O 3.08Å |
| 1337 | C | 62.3 | Low | 55.9 | Low | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 159.3 | 171.4 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | S1339 G1340 E1341 I1343 C1355 | C1337-S1339 PolarHBondContact O-N 3.41Å; C1337-S1339 VanDerWaalsContact O-N 3.1Å; C1337-G1340 PolarHBondContact O-N 3.3Å; C1337-E1341 HydrophobicContact CB-CB 4.43Å; C1337-E1341 PolarHBondContact N-O 3.31Å; C1337-I1343 VanDerWaalsContact SG-CD1 3.51Å; C1337-C1355 HydrophobicContact CB-CB 3.6Å; C1337-C1355 WeakPolarHBondContact CB-SG 3.46Å; C1337-C1355 WeakPolarHBondContact SG-CB 3.36Å; C1337-C1355 CovalentContact SG-SG 2.01Å; C1337-C1355 PolarHBondContact SG-SG 3.08Å |
| 1338 | S | 62.8 | Low | 55.9 | Low | 67 Ų | 67 | 67.7 Ų | 67.7 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.8 | 170.8 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | G1340 D1357 S1359 | S1338-G1340 VanDerWaalsContact C-N 3.28Å; S1338-G1340 PolarHBondContact O-N 2.94Å; S1338-D1357 VanDerWaalsContact CB-OD2 3.32Å; S1338-D1357 WeakPolarHBondContact CB-OD2 3.33Å; S1338-D1357 WeakPolarHBondContact OG-CB 3.48Å; S1338-D1357 PolarHBondContact OG-OD2 2.59Å; S1338-S1359 WeakPolarHBondContact CB-OG 3.31Å; S1338-S1359 WeakPolarHBondContact OG-CB 3.26Å; S1338-S1359 PolarHBondContact OG-OG 2.82Å |
| 1339 | S | 55.5 | Low | 56.8 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.6 | 172.8 | 47.2 | 0 | 0 | 0 | 0 | 114.7 | C1337 E1341 | C1337-S1339 PolarHBondContact O-N 3.41Å; C1337-S1339 VanDerWaalsContact O-N 3.1Å; S1339-E1341 VanDerWaalsContact C-N 3.34Å; S1339-E1341 WeakPolarHBondContact OG-CG 2.91Å |
| 1340 | G | 57.9 | Low | 57.2 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 92.6 | -22.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1336 C1337 S1338 | Q1336-G1340 PolarHBondContact NE2-O 3.08Å; C1337-G1340 PolarHBondContact O-N 3.3Å; S1338-G1340 VanDerWaalsContact C-N 3.28Å; S1338-G1340 PolarHBondContact O-N 2.94Å |
| 1341 | E | 56.6 | Low | 57.5 | Low | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | trans | -54.1 | 136.6 | 178.7 | -46.1 | -73.3 | -179.8 | 0 | 0 | 112.2 | C1337 S1339 | C1337-E1341 HydrophobicContact CB-CB 4.43Å; C1337-E1341 PolarHBondContact N-O 3.31Å; S1339-E1341 VanDerWaalsContact C-N 3.34Å; S1339-E1341 WeakPolarHBondContact OG-CG 2.91Å | ||
| 1342 | C | 63.9 | Low | 57.8 | Low | 55 Ų | 55 | 66 Ų | 66 | 37% | 0.372 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 82.3 | 174 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | C1330 Q1334 | C1330-C1342 WeakPolarHBondContact CA-SG 3.32Å; C1330-C1342 HydrophobicContact CB-CB 3.71Å; C1330-C1342 WeakPolarHBondContact CB-SG 3.3Å; C1330-C1342 WeakPolarHBondContact SG-CA 3.3Å; C1330-C1342 WeakPolarHBondContact SG-CB 3Å; C1330-C1342 CovalentContact SG-SG 2.03Å; C1330-C1342 PolarHBondContact SG-SG 2.82Å; Q1334-C1342 HydrophobicContact CB-CB 4.49Å |
| 1343 | I | 61.5 | Low | 58.5 | Low | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 157 | 171.3 | 51.3 | 159.6 | 0 | 0 | 0 | 110.7 | Q1334 Y1335 C1337 M1347 R1348 C1355 D1360 | Q1334-I1343 CarbonylContact C-O 3.48Å; Q1334-I1343 VanDerWaalsContact C-O 3.3Å; Q1334-I1343 WeakPolarHBondContact CA-O 3.39Å; Q1334-I1343 VanDerWaalsContact CB-O 3.27Å; Q1334-I1343 WeakPolarHBondContact CB-O 3.46Å; Y1335-I1343 HydrophobicContact CD1-CD1 3.82Å; Y1335-I1343 HydrophobicContact CD1-CG1 4.11Å; Y1335-I1343 PolarHBondContact N-O 2.7Å; Y1335-I1343 WeakPolarHBondContact O-CG1 3.19Å; Y1335-I1343 PolarHBondContact O-N 3.05Å; C1337-I1343 VanDerWaalsContact SG-CD1 3.51Å; I1343-M1347 HydrophobicContact CB-CB 4.4Å; I1343-M1347 HydrophobicContact CB-CE 4Å; I1343-M1347 WeakPolarHBondContact CD1-O 3.34Å; I1343-M1347 HydrophobicContact CG2-CE 3.72Å; I1343-R1348 HydrophobicContact CD1-CB 4.36Å; I1343-C1355 VanDerWaalsContact CD1-SG 3.53Å; I1343-C1355 VanDerWaalsContact CG2-SG 3.57Å; I1343-D1360 HydrophobicContact CD1-CB 4.05Å |
| 1344 | E | 54 | Low | 58.8 | Low | 93 Ų | 93 | 69.1 Ų | 69.1 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 148 | 169.3 | -64.4 | -167.6 | 149.8 | 0 | 0 | 111 | Q1334 Q1346 M1347 | Q1334-E1344 HydrophobicContact CG-CG 4.17Å; E1344-Q1346 HydrophobicContact CB-CG 3.87Å; E1344-Q1346 PolarHBondContact O-N 2.86Å; E1344-Q1346 PolarHBondContact OE2-NE2 3.1Å; E1344-M1347 CarbonylContact O-C 3.49Å; E1344-M1347 WeakPolarHBondContact O-CA 3.34Å; E1344-M1347 PolarHBondContact O-N 3.36Å |
| 1345 | Q | 61.5 | Low | 58.8 | Low | 100 Ų | 100 | 66.8 Ų | 66.8 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -60.3 | -14.1 | 178.6 | -81.2 | -177.8 | 15.5 | 0 | 0 | 113.5 | G1333 R1348 | G1333-Q1345 WeakPolarHBondContact O-CB 2.96Å; G1333-Q1345 WeakPolarHBondContact O-CG 3.47Å; G1333-Q1345 PolarHBondContact O-N 3.49Å; Q1345-R1348 WeakPolarHBondContact O-CB 3.29Å; Q1345-R1348 PolarHBondContact O-N 2.91Å |
| 1346 | Q | 52.7 | Low | 58.8 | Low | 134 Ų | 134 | 74.5 Ų | 74.5 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -80.6 | -25.9 | 170.9 | 60.3 | 171.5 | -14.9 | 0 | 0 | 114.2 | E1344 R1348 | E1344-Q1346 HydrophobicContact CB-CG 3.87Å; E1344-Q1346 PolarHBondContact O-N 2.86Å; E1344-Q1346 PolarHBondContact OE2-NE2 3.1Å; Q1346-R1348 PolarHBondContact O-N 2.63Å |
| 1347 | M | 60.7 | Low | 58.5 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -90.1 | 24.4 | 166.6 | -50.8 | -165.3 | -33.1 | 0 | 0 | 110.7 | I1343 E1344 D1354 | I1343-M1347 HydrophobicContact CB-CB 4.4Å; I1343-M1347 HydrophobicContact CB-CE 4Å; I1343-M1347 WeakPolarHBondContact CD1-O 3.34Å; I1343-M1347 HydrophobicContact CG2-CE 3.72Å; E1344-M1347 CarbonylContact O-C 3.49Å; E1344-M1347 WeakPolarHBondContact O-CA 3.34Å; E1344-M1347 PolarHBondContact O-N 3.36Å; M1347-D1354 HydrophobicContact CE-CB 4.18Å |
| 1348 | R | 47.4 | Very low | 58.3 | Low | 90 Ų | 90 | 77.4 Ų | 77.4 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -108.8 | 125.3 | 162.5 | -169.4 | -165.5 | -177 | -169.3 | -1.7 | 106.9 | Y1335 I1343 Q1345 Q1346 D1360 T1362 | Y1335-R1348 HydrophobicContact CD1-CB 3.95Å; Y1335-R1348 HydrophobicContact CD1-CG 3.59Å; Y1335-R1348 HydrophobicContact CE1-CG 3.79Å; Y1335-R1348 HydrophobicContact CG-CB 4.39Å; Y1335-R1348 HydrophobicContact CG-CG 4.19Å; I1343-R1348 HydrophobicContact CD1-CB 4.36Å; Q1345-R1348 WeakPolarHBondContact O-CB 3.29Å; Q1345-R1348 PolarHBondContact O-N 2.91Å; Q1346-R1348 PolarHBondContact O-N 2.63Å; R1348-D1360 VanDerWaalsContact CA-OD1 3.28Å; R1348-D1360 WeakPolarHBondContact CA-OD1 3.03Å; R1348-D1360 WeakPolarHBondContact CG-O 3.35Å; R1348-T1362 PolarHBondContact NH2-O 3.49Å |
| 1349 | C | 65.6 | Low | 58.3 | Low | 57 Ų | 57 | 75.1 Ų | 75.1 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 71.9 | 32 | 179.7 | -49.4 | 0 | 0 | 0 | 0 | 115 | D1360 E1361 C1364 | C1349-D1360 PolarHBondContact N-O 2.64Å; C1349-D1360 PolarHBondContact N-OD1 3.08Å; C1349-E1361 WeakPolarHBondContact CA-OE1 3.05Å; C1349-C1364 WeakPolarHBondContact CA-SG 2.93Å; C1349-C1364 HydrophobicContact CB-CB 3.48Å; C1349-C1364 VanDerWaalsContact CB-CB 3.48Å; C1349-C1364 WeakPolarHBondContact CB-SG 3.27Å; C1349-C1364 VanDerWaalsContact SG-CA 3.57Å; C1349-C1364 WeakPolarHBondContact SG-CB 3.41Å; C1349-C1364 CovalentContact SG-SG 2.02Å; C1349-C1364 PolarHBondContact SG-SG 2.74Å |
| 1350 | D | 49.8 | Very low | 58.6 | Low | 57 Ų | 57 | 73.1 Ų | 73.1 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -94.2 | -6.5 | -175.6 | 99.4 | -29.1 | 0 | 0 | 0 | 114.3 | R1352 E1361 | D1350-R1352 WeakPolarHBondContact OD1-CA 3Å; D1350-R1352 WeakPolarHBondContact OD1-CB 3.39Å; D1350-R1352 PolarHBondContact OD1-N 3.39Å; D1350-R1352 IonicContact OD1-NE 3.44Å; D1350-R1352 IonicContact OD2-CZ 3.73Å; D1350-R1352 IonicContact OD2-NE 2.72Å; D1350-R1352 PolarHBondContact OD2-NE 2.99Å; D1350-R1352 IonicContact OD2-NH2 3.49Å; D1350-R1352 PolarHBondContact OD2-NH2 3.32Å; D1350-E1361 PolarHBondContact N-OE1 2.9Å |
| 1351 | G | 59.1 | Low | 59 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 97.8 | 2.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1361 | G1351-E1361 WeakPolarHBondContact CA-OE1 3.11Å; G1351-E1361 VanDerWaalsContact CA-OE2 3.25Å; G1351-E1361 WeakPolarHBondContact CA-OE2 3.29Å; G1351-E1361 PolarHBondContact N-OE1 3.02Å |
| 1352 | R | 56.4 | Low | 58.9 | Low | 145 Ų | 145 | 74.3 Ų | 74.3 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -122 | 158.8 | 178.9 | -59.4 | 179.5 | -76.4 | -174.2 | 2 | 111 | D1350 D1354 E1361 | D1350-R1352 WeakPolarHBondContact OD1-CA 3Å; D1350-R1352 WeakPolarHBondContact OD1-CB 3.39Å; D1350-R1352 PolarHBondContact OD1-N 3.39Å; D1350-R1352 IonicContact OD1-NE 3.44Å; D1350-R1352 IonicContact OD2-CZ 3.73Å; D1350-R1352 IonicContact OD2-NE 2.72Å; D1350-R1352 PolarHBondContact OD2-NE 2.99Å; D1350-R1352 IonicContact OD2-NH2 3.49Å; D1350-R1352 PolarHBondContact OD2-NH2 3.32Å; R1352-D1354 IonicContact CZ-OD2 2.73Å; R1352-D1354 IonicContact NE-OD2 2.75Å; R1352-D1354 IonicContact NH2-OD2 3.41Å; R1352-D1354 PolarHBondContact O-N 3.46Å; R1352-E1361 WeakPolarHBondContact O-CG 3.43Å |
| 1353 | Q | 58.7 | Low | 58.3 | Low | 126 Ų | 126 | 75.1 Ų | 75.1 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | trans | -94.4 | 72.2 | 173.2 | -173.9 | -178.2 | -9.1 | 0 | 0 | 108.9 | C1355 R1356 A1358 | Q1353-C1355 WeakPolarHBondContact CG-O 3.42Å; Q1353-C1355 PolarHBondContact NE2-O 2.86Å; Q1353-C1355 PolarHBondContact O-N 3.06Å; Q1353-R1356 PolarHBondContact NE2-O 3.28Å; Q1353-A1358 HydrophobicContact CG-CB 3.94Å | ||
| 1354 | D | 54.9 | Low | 57.7 | Low | 62 Ų | 62 | 76.5 Ų | 76.5 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | trans | -78 | -16.9 | 179.6 | -72.3 | -7 | 0 | 0 | 0 | 111 | M1347 R1352 D1360 | M1347-D1354 HydrophobicContact CE-CB 4.18Å; R1352-D1354 IonicContact CZ-OD2 2.73Å; R1352-D1354 IonicContact NE-OD2 2.75Å; R1352-D1354 IonicContact NH2-OD2 3.41Å; R1352-D1354 PolarHBondContact O-N 3.46Å; D1354-D1360 PolarHBondContact N-OD2 3.19Å | ||
| 1355 | C | 63.5 | Low | 57.3 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -100.7 | 137.2 | 166.4 | -81.2 | 0 | 0 | 0 | 0 | 115.6 | C1337 I1343 Q1353 D1357 A1358 D1360 | C1337-C1355 HydrophobicContact CB-CB 3.6Å; C1337-C1355 WeakPolarHBondContact CB-SG 3.46Å; C1337-C1355 WeakPolarHBondContact SG-CB 3.36Å; C1337-C1355 CovalentContact SG-SG 2.01Å; C1337-C1355 PolarHBondContact SG-SG 3.08Å; I1343-C1355 VanDerWaalsContact CD1-SG 3.53Å; I1343-C1355 VanDerWaalsContact CG2-SG 3.57Å; Q1353-C1355 WeakPolarHBondContact CG-O 3.42Å; Q1353-C1355 PolarHBondContact NE2-O 2.86Å; Q1353-C1355 PolarHBondContact O-N 3.06Å; C1355-D1357 PolarHBondContact O-N 3.3Å; C1355-A1358 PolarHBondContact O-N 3.27Å; C1355-D1360 HydrophobicContact CB-CB 3.95Å |
| 1356 | R | 63.9 | Low | 56.6 | Low | 208 Ų | 208 | 76.9 Ų | 76.9 | 79% | 0.785 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.7 | -174.5 | -160.9 | 170.7 | -176.3 | 167.4 | 0.9 | 116.2 | Q1353 | Q1353-R1356 PolarHBondContact NE2-O 3.28Š|
| 1357 | D | 60.9 | Low | 56.3 | Low | 100 Ų | 100 | 81 Ų | 81 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 19.7 | 174.5 | -169.6 | 50.3 | 0 | 0 | 0 | 112.9 | S1338 C1355 S1359 | S1338-D1357 VanDerWaalsContact CB-OD2 3.32Å; S1338-D1357 WeakPolarHBondContact CB-OD2 3.33Å; S1338-D1357 WeakPolarHBondContact OG-CB 3.48Å; S1338-D1357 PolarHBondContact OG-OD2 2.59Å; C1355-D1357 PolarHBondContact O-N 3.3Å; D1357-S1359 PolarHBondContact O-N 2.01Å |
| 1358 | A | 57.6 | Low | 55.7 | Low | 28 Ų | 28 | 79.3 Ų | 79.3 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 57.8 | 6.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q1353 C1355 D1360 E1361 | Q1353-A1358 HydrophobicContact CG-CB 3.94Å; C1355-A1358 PolarHBondContact O-N 3.27Å; A1358-D1360 PolarHBondContact O-N 2.89Å; A1358-D1360 VanDerWaalsContact O-N 3.12Å; A1358-E1361 PolarHBondContact O-N 2.8Å |
| 1359 | S | 63.1 | Low | 55.8 | Low | 20 Ų | 20 | 80.4 Ų | 80.4 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.8 | -179.9 | -86.1 | 0 | 0 | 0 | 0 | 114.9 | Y1335 S1338 D1357 E1361 T1362 | Y1335-S1359 PolarHBondContact OH-O 3.08Å; S1338-S1359 WeakPolarHBondContact CB-OG 3.31Å; S1338-S1359 WeakPolarHBondContact OG-CB 3.26Å; S1338-S1359 PolarHBondContact OG-OG 2.82Å; D1357-S1359 PolarHBondContact O-N 2.01Å; S1359-E1361 PolarHBondContact O-N 3.49Å; S1359-T1362 WeakPolarHBondContact CA-OG1 3.37Å; S1359-T1362 PolarHBondContact O-N 2.95Å; S1359-T1362 PolarHBondContact O-OG1 3.21Å |
| 1360 | D | 61.4 | Low | 55 | Low | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -33.1 | -64.5 | 158.2 | 171.1 | -2.8 | 0 | 0 | 0 | 112.5 | I1343 R1348 C1349 D1354 C1355 A1358 T1362 C1364 | I1343-D1360 HydrophobicContact CD1-CB 4.05Å; R1348-D1360 VanDerWaalsContact CA-OD1 3.28Å; R1348-D1360 WeakPolarHBondContact CA-OD1 3.03Å; R1348-D1360 WeakPolarHBondContact CG-O 3.35Å; C1349-D1360 PolarHBondContact N-O 2.64Å; C1349-D1360 PolarHBondContact N-OD1 3.08Å; D1354-D1360 PolarHBondContact N-OD2 3.19Å; C1355-D1360 HydrophobicContact CB-CB 3.95Å; A1358-D1360 PolarHBondContact O-N 2.89Å; A1358-D1360 VanDerWaalsContact O-N 3.12Å; D1360-T1362 VanDerWaalsContact C-N 3.33Å; D1360-T1362 PolarHBondContact O-N 2.92Å; D1360-C1364 PolarHBondContact O-SG 2.03Å |
| 1361 | E | 66.2 | Low | 54.7 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 36% | 0.355 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -84.3 | 1.3 | -172.8 | -75.9 | -80.2 | 89.4 | 0 | 0 | 114.3 | C1349 D1350 G1351 R1352 A1358 S1359 | C1349-E1361 WeakPolarHBondContact CA-OE1 3.05Å; D1350-E1361 PolarHBondContact N-OE1 2.9Å; G1351-E1361 WeakPolarHBondContact CA-OE1 3.11Å; G1351-E1361 VanDerWaalsContact CA-OE2 3.25Å; G1351-E1361 WeakPolarHBondContact CA-OE2 3.29Å; G1351-E1361 PolarHBondContact N-OE1 3.02Å; R1352-E1361 WeakPolarHBondContact O-CG 3.43Å; A1358-E1361 PolarHBondContact O-N 2.8Å; S1359-E1361 PolarHBondContact O-N 3.49Å |
| 1362 | T | 54.4 | Low | 54.9 | Low | 76 Ų | 76 | 82.4 Ų | 82.4 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -104.4 | 127.9 | -174.4 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | R1348 S1359 D1360 | R1348-T1362 PolarHBondContact NH2-O 3.49Å; S1359-T1362 WeakPolarHBondContact CA-OG1 3.37Å; S1359-T1362 PolarHBondContact O-N 2.95Å; S1359-T1362 PolarHBondContact O-OG1 3.21Å; D1360-T1362 VanDerWaalsContact C-N 3.33Å; D1360-T1362 PolarHBondContact O-N 2.92Å |
| 1363 | G | 50.6 | Low | 55.1 | Low | 73 Ų | 73 | 77.9 Ų | 77.9 | 75% | 0.753 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 90.6 | 1.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1365 | G1363-P1365 VanDerWaalsContact O-CD 3.22Å; G1363-P1365 WeakPolarHBondContact O-CD 3.37Å |
| 1364 | C | 49.7 | Very low | 55.4 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 28% | 0.284 | 41% | 0.411 | S | S | . | . | trans | -65.1 | 112.8 | -176 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | C1349 D1360 | C1349-C1364 WeakPolarHBondContact CA-SG 2.93Å; C1349-C1364 HydrophobicContact CB-CB 3.48Å; C1349-C1364 VanDerWaalsContact CB-CB 3.48Å; C1349-C1364 WeakPolarHBondContact CB-SG 3.27Å; C1349-C1364 VanDerWaalsContact SG-CA 3.57Å; C1349-C1364 WeakPolarHBondContact SG-CB 3.41Å; C1349-C1364 CovalentContact SG-SG 2.02Å; C1349-C1364 PolarHBondContact SG-SG 2.74Å; D1360-C1364 PolarHBondContact O-SG 2.03Å | ||
| 1365 | P | 45.4 | Very low | 55.8 | Low | 102 Ų | 102 | 72.5 Ų | 72.5 | 66% | 0.662 | 40% | 0.398 | S | S | * | . | trans | -84.8 | 122.9 | 176.5 | -7.7 | 27.4 | 0 | 0 | 0 | 110.3 | G1363 R1367 | G1363-P1365 VanDerWaalsContact O-CD 3.22Å; G1363-P1365 WeakPolarHBondContact O-CD 3.37Å; P1365-R1367 PolarHBondContact O-N 2.73Å | ||
| 1366 | P | 46.1 | Very low | 55.6 | Low | 98 Ų | 98 | 75.7 Ų | 75.7 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | trans | -74.7 | 103.5 | -170.1 | 29.6 | -35.6 | 0 | 0 | 0 | 111 | Q1374 | P1366-Q1374 PolarHBondContact O-NE2 2.78Å; P1366-Q1374 PolarHBondContact O-OE1 2.8Å | ||
| 1367 | R | 47.1 | Very low | 55.1 | Low | 221 Ų | 221 | 67.9 Ų | 67.9 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | trans | -147 | 131.6 | 178.3 | -68.6 | -171.6 | 173.3 | 168.8 | -0.5 | 112.1 | P1365 | P1365-R1367 PolarHBondContact O-N 2.73Š| ||
| 1368 | C | 48.9 | Very low | 54.9 | Low | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 157.4 | 179.3 | -31.9 | 0 | 0 | 0 | 0 | 112 | Q1372 Q1374 C1380 | C1368-Q1372 HydrophobicContact CB-CB 3.44Å; C1368-Q1372 VanDerWaalsContact CB-CB 3.44Å; C1368-Q1374 VanDerWaalsContact SG-CA 3.5Å; C1368-Q1374 WeakPolarHBondContact SG-CB 3.5Å; C1368-Q1374 VanDerWaalsContact SG-CG 3.58Å; C1368-C1380 WeakPolarHBondContact CA-SG 3.29Å; C1368-C1380 HydrophobicContact CB-CB 3.67Å; C1368-C1380 WeakPolarHBondContact CB-SG 3.26Å; C1368-C1380 PolarHBondContact N-SG 3.08Å; C1368-C1380 WeakPolarHBondContact SG-CA 3.43Å; C1368-C1380 WeakPolarHBondContact SG-CB 3.39Å; C1368-C1380 CovalentContact SG-SG 2.03Å; C1368-C1380 PolarHBondContact SG-SG 2.79Å |
| 1369 | R | 48.3 | Very low | 54.9 | Low | 113 Ų | 113 | 67.6 Ų | 67.6 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67 | 156.5 | 173 | -77.4 | 179.6 | 171.5 | 71.6 | -18.5 | 110.7 | E1037 G1371 Q1372 | E1037-R1369 IonicContact OE1-CZ 3.67Å; E1037-R1369 VanDerWaalsContact OE1-CZ 3.27Å; E1037-R1369 IonicContact OE1-NE 3.2Å; E1037-R1369 PolarHBondContact OE1-NE 2.05Å; E1037-R1369 IonicContact OE1-NH2 2.74Å; E1037-R1369 PolarHBondContact OE1-NH2 2.77Å; R1369-G1371 PolarHBondContact O-N 3.25Å; R1369-Q1372 WeakPolarHBondContact O-CA 2.98Å; R1369-Q1372 WeakPolarHBondContact O-CB 3.46Å; R1369-Q1372 PolarHBondContact O-N 2.75Å |
| 1370 | P | 48.4 | Very low | 54.8 | Low | 138 Ų | 138 | 69.2 Ų | 69.2 | 90% | 0.896 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 135.4 | 173.3 | -22.6 | 34.1 | 0 | 0 | 0 | 111 | Q1372 | P1370-Q1372 VanDerWaalsContact C-N 3.33Š|
| 1371 | G | 44.7 | Very low | 54.6 | Low | 43 Ų | 43 | 70.1 Ų | 70.1 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -6.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | R1369 Q1383 | R1369-G1371 PolarHBondContact O-N 3.25Å; G1371-Q1383 WeakPolarHBondContact O-CB 3.45Å; G1371-Q1383 PolarHBondContact O-N 3.25Å |
| 1372 | Q | 62.3 | Low | 53.9 | Low | 31 Ų | 31 | 69.1 Ų | 69.1 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133 | 165 | -73.3 | 173.8 | -8.8 | 0 | 0 | 111.4 | R1052 C1368 R1369 P1370 I1381 E1382 | R1052-Q1372 VanDerWaalsContact NE-NE2 3.15Å; R1052-Q1372 VanDerWaalsContact NH2-NE2 3.16Å; C1368-Q1372 HydrophobicContact CB-CB 3.44Å; C1368-Q1372 VanDerWaalsContact CB-CB 3.44Å; R1369-Q1372 WeakPolarHBondContact O-CA 2.98Å; R1369-Q1372 WeakPolarHBondContact O-CB 3.46Å; R1369-Q1372 PolarHBondContact O-N 2.75Å; P1370-Q1372 VanDerWaalsContact C-N 3.33Å; Q1372-I1381 CarbonylContact C-O 3.55Å; Q1372-I1381 WeakPolarHBondContact CA-O 3.3Å; Q1372-I1381 VanDerWaalsContact CB-O 3.3Å; Q1372-I1381 WeakPolarHBondContact CB-O 3.46Å; Q1372-E1382 HydrophobicContact CG-CB 4.31Å; Q1372-E1382 HydrophobicContact CG-CG 3.35Å; Q1372-E1382 PolarHBondContact NE2-OE1 3.11Å |
| 1373 | Y | 61.4 | Low | 54.3 | Low | 50 Ų | 50 | 71.7 Ų | 71.7 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124 | 173 | 173.2 | -108.8 | 0 | 0 | 0 | 109.5 | C1375 I1381 R1386 S1397 | Y1373-C1375 VanDerWaalsContact CE1-SG 3.56Å; Y1373-I1381 HydrophobicContact CD1-CD1 4.13Å; Y1373-I1381 HydrophobicContact CD1-CG1 4.1Å; Y1373-I1381 PolarHBondContact N-O 3.18Å; Y1373-I1381 PolarHBondContact O-N 3.45Å; Y1373-I1381 VanDerWaalsContact O-N 3.16Å; Y1373-I1381 VanDerWaalsContact O-O 3.11Å; Y1373-R1386 HydrophobicContact CD1-CB 4.22Å; Y1373-R1386 HydrophobicContact CD1-CG 3.7Å; Y1373-R1386 HydrophobicContact CD2-CG 4.32Å; Y1373-R1386 HydrophobicContact CE1-CG 3.98Å; Y1373-R1386 HydrophobicContact CG-CB 4.25Å; Y1373-R1386 HydrophobicContact CG-CG 3.86Å; Y1373-S1397 PolarHBondContact OH-O 2.83Å |
| 1374 | Q | 65.5 | Low | 54.5 | Low | 68 Ų | 68 | 72.9 Ų | 72.9 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128 | 170.9 | -158.4 | 166 | 17.3 | 0 | 0 | 110.3 | P1366 C1368 G1378 E1379 | P1366-Q1374 PolarHBondContact O-NE2 2.78Å; P1366-Q1374 PolarHBondContact O-OE1 2.8Å; C1368-Q1374 VanDerWaalsContact SG-CA 3.5Å; C1368-Q1374 WeakPolarHBondContact SG-CB 3.5Å; C1368-Q1374 VanDerWaalsContact SG-CG 3.58Å; Q1374-G1378 PolarHBondContact NE2-O 3Å; Q1374-E1379 WeakPolarHBondContact CA-O 3.46Å |
| 1375 | C | 62.4 | Low | 55 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 158.7 | 173.5 | -70 | 0 | 0 | 0 | 0 | 112.4 | Y1373 S1377 G1378 E1379 C1393 | Y1373-C1375 VanDerWaalsContact CE1-SG 3.56Å; C1375-S1377 PolarHBondContact O-N 3.37Å; C1375-S1377 VanDerWaalsContact O-N 3.13Å; C1375-G1378 PolarHBondContact O-N 3.37Å; C1375-E1379 HydrophobicContact CB-CB 4.31Å; C1375-E1379 PolarHBondContact N-O 2.7Å; C1375-C1393 HydrophobicContact CB-CB 3.29Å; C1375-C1393 WeakPolarHBondContact CB-SG 3.45Å; C1375-C1393 WeakPolarHBondContact SG-CB 3.25Å; C1375-C1393 CovalentContact SG-SG 2Å; C1375-C1393 PolarHBondContact SG-SG 3.43Å |
| 1376 | S | 59.4 | Low | 55.2 | Low | 67 Ų | 67 | 72.3 Ų | 72.3 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.5 | 175.9 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | G1378 D1395 S1397 | S1376-G1378 VanDerWaalsContact C-N 3.3Å; S1376-D1395 WeakPolarHBondContact CB-OD2 3.34Å; S1376-D1395 WeakPolarHBondContact OG-CB 3.5Å; S1376-D1395 PolarHBondContact OG-O 3.39Å; S1376-D1395 PolarHBondContact OG-OD2 3.17Å; S1376-S1397 WeakPolarHBondContact CB-OG 3.3Å; S1376-S1397 VanDerWaalsContact OG-CB 3.31Å; S1376-S1397 WeakPolarHBondContact OG-CB 3.42Å; S1376-S1397 PolarHBondContact OG-OG 2.83Å |
| 1377 | S | 54.1 | Low | 56.1 | Low | 43 Ų | 43 | 69.5 Ų | 69.5 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.3 | 172.7 | 41.9 | 0 | 0 | 0 | 0 | 114.9 | C1375 E1379 R1394 D1395 | C1375-S1377 PolarHBondContact O-N 3.37Å; C1375-S1377 VanDerWaalsContact O-N 3.13Å; S1377-E1379 VanDerWaalsContact OG-CG 3.31Å; S1377-E1379 WeakPolarHBondContact OG-CG 3.4Å; S1377-R1394 PolarHBondContact OG-N 2.89Å; S1377-D1395 PolarHBondContact OG-N 2.89Å |
| 1378 | G | 56.3 | Low | 56.2 | Low | 39 Ų | 39 | 61.7 Ų | 61.7 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 99 | -21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1374 C1375 S1376 | Q1374-G1378 PolarHBondContact NE2-O 3Å; C1375-G1378 PolarHBondContact O-N 3.37Å; S1376-G1378 VanDerWaalsContact C-N 3.3Å |
| 1379 | E | 56.5 | Low | 56.7 | Low | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | trans | -52.4 | 144.6 | 176.9 | -43 | -77.1 | 177.8 | 0 | 0 | 112 | Q1374 C1375 S1377 C1393 | Q1374-E1379 WeakPolarHBondContact CA-O 3.46Å; C1375-E1379 HydrophobicContact CB-CB 4.31Å; C1375-E1379 PolarHBondContact N-O 2.7Å; S1377-E1379 VanDerWaalsContact OG-CG 3.31Å; S1377-E1379 WeakPolarHBondContact OG-CG 3.4Å; E1379-C1393 HydrophobicContact CG-CB 4.33Å | ||
| 1380 | C | 60.9 | Low | 56.9 | Low | 55 Ų | 55 | 64.6 Ų | 64.6 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 82.2 | 179.8 | -83.4 | 0 | 0 | 0 | 0 | 111.7 | C1368 | C1368-C1380 WeakPolarHBondContact CA-SG 3.29Å; C1368-C1380 HydrophobicContact CB-CB 3.67Å; C1368-C1380 WeakPolarHBondContact CB-SG 3.26Å; C1368-C1380 PolarHBondContact N-SG 3.08Å; C1368-C1380 WeakPolarHBondContact SG-CA 3.43Å; C1368-C1380 WeakPolarHBondContact SG-CB 3.39Å; C1368-C1380 CovalentContact SG-SG 2.03Å; C1368-C1380 PolarHBondContact SG-SG 2.79Å |
| 1381 | I | 57 | Low | 57.3 | Low | 18 Ų | 18 | 63.6 Ų | 63.6 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 161.9 | 178.7 | 64.4 | 168.1 | 0 | 0 | 0 | 110.9 | Q1372 Y1373 M1385 D1392 D1398 | Q1372-I1381 CarbonylContact C-O 3.55Å; Q1372-I1381 WeakPolarHBondContact CA-O 3.3Å; Q1372-I1381 VanDerWaalsContact CB-O 3.3Å; Q1372-I1381 WeakPolarHBondContact CB-O 3.46Å; Y1373-I1381 HydrophobicContact CD1-CD1 4.13Å; Y1373-I1381 HydrophobicContact CD1-CG1 4.1Å; Y1373-I1381 PolarHBondContact N-O 3.18Å; Y1373-I1381 PolarHBondContact O-N 3.45Å; Y1373-I1381 VanDerWaalsContact O-N 3.16Å; Y1373-I1381 VanDerWaalsContact O-O 3.11Å; I1381-M1385 HydrophobicContact CB-CB 3.84Å; I1381-M1385 HydrophobicContact CB-CG 4.26Å; I1381-M1385 HydrophobicContact CD1-CB 3.87Å; I1381-M1385 HydrophobicContact CG1-CB 4.17Å; I1381-D1392 HydrophobicContact CG2-CB 4.45Å; I1381-D1398 HydrophobicContact CD1-CB 3.9Å; I1381-D1398 WeakPolarHBondContact CD1-OD2 3.49Å |
| 1382 | E | 53.2 | Low | 57.8 | Low | 56 Ų | 56 | 64.3 Ų | 64.3 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 155.5 | 175.8 | -78.7 | 178.7 | -177.7 | 0 | 0 | 113.2 | Q1372 Q1384 M1385 R1386 | Q1372-E1382 HydrophobicContact CG-CB 4.31Å; Q1372-E1382 HydrophobicContact CG-CG 3.35Å; Q1372-E1382 PolarHBondContact NE2-OE1 3.11Å; E1382-Q1384 HydrophobicContact CB-CG 3.88Å; E1382-Q1384 PolarHBondContact O-N 2.8Å; E1382-Q1384 VanDerWaalsContact O-N 3.1Å; E1382-Q1384 PolarHBondContact OE2-NE2 2.71Å; E1382-M1385 HydrophobicContact CB-CG 4.11Å; E1382-M1385 CarbonylContact O-C 3.23Å; E1382-M1385 WeakPolarHBondContact O-CA 3.2Å; E1382-M1385 VanDerWaalsContact O-CB 3.26Å; E1382-M1385 WeakPolarHBondContact O-CB 3.34Å; E1382-M1385 PolarHBondContact O-N 2.8Å; E1382-R1386 PolarHBondContact O-N 3.15Å; E1382-R1386 VanDerWaalsContact O-N 3.09Å |
| 1383 | Q | 62.4 | Low | 57.9 | Low | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15 | 177 | -91.5 | -172.3 | -1.3 | 0 | 0 | 113.1 | G1371 | G1371-Q1383 WeakPolarHBondContact O-CB 3.45Å; G1371-Q1383 PolarHBondContact O-N 3.25Å |
| 1384 | Q | 53.8 | Low | 58 | Low | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -23 | 168 | 62.4 | -172.3 | -15.5 | 0 | 0 | 113.8 | E1382 R1386 | E1382-Q1384 HydrophobicContact CB-CG 3.88Å; E1382-Q1384 PolarHBondContact O-N 2.8Å; E1382-Q1384 VanDerWaalsContact O-N 3.1Å; E1382-Q1384 PolarHBondContact OE2-NE2 2.71Å; Q1384-R1386 VanDerWaalsContact C-N 3.32Å |
| 1385 | M | 59.8 | Low | 57.7 | Low | 63 Ų | 63 | 72 Ų | 72 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.9 | 168.3 | -54 | -79.6 | -76.8 | 0 | 0 | 110.6 | I1381 E1382 C1387 D1388 D1392 | I1381-M1385 HydrophobicContact CB-CB 3.84Å; I1381-M1385 HydrophobicContact CB-CG 4.26Å; I1381-M1385 HydrophobicContact CD1-CB 3.87Å; I1381-M1385 HydrophobicContact CG1-CB 4.17Å; E1382-M1385 HydrophobicContact CB-CG 4.11Å; E1382-M1385 CarbonylContact O-C 3.23Å; E1382-M1385 WeakPolarHBondContact O-CA 3.2Å; E1382-M1385 VanDerWaalsContact O-CB 3.26Å; E1382-M1385 WeakPolarHBondContact O-CB 3.34Å; E1382-M1385 PolarHBondContact O-N 2.8Å; M1385-C1387 PolarHBondContact O-N 2.73Å; M1385-D1388 PolarHBondContact O-N 2.79Å; M1385-D1392 HydrophobicContact CE-CB 4.13Å; M1385-D1392 WeakPolarHBondContact CE-OD2 3.32Å |
| 1386 | R | 51.4 | Low | 57.5 | Low | 68 Ų | 68 | 73.3 Ų | 73.3 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 104.5 | 179 | -164.2 | -166.5 | -175.3 | -104.4 | -15.6 | 110.9 | Y1373 E1382 Q1384 D1398 T1400 C1402 | Y1373-R1386 HydrophobicContact CD1-CB 4.22Å; Y1373-R1386 HydrophobicContact CD1-CG 3.7Å; Y1373-R1386 HydrophobicContact CD2-CG 4.32Å; Y1373-R1386 HydrophobicContact CE1-CG 3.98Å; Y1373-R1386 HydrophobicContact CG-CB 4.25Å; Y1373-R1386 HydrophobicContact CG-CG 3.86Å; E1382-R1386 PolarHBondContact O-N 3.15Å; E1382-R1386 VanDerWaalsContact O-N 3.09Å; Q1384-R1386 VanDerWaalsContact C-N 3.32Å; R1386-D1398 VanDerWaalsContact CA-OD1 3.28Å; R1386-D1398 WeakPolarHBondContact CA-OD1 3.37Å; R1386-T1400 PolarHBondContact NH2-O 3.27Å; R1386-C1402 PolarHBondContact NH1-SG 2.83Å; R1386-C1402 PolarHBondContact O-SG 3.06Å; R1386-C1402 VanDerWaalsContact O-SG 3.33Å |
| 1387 | C | 63.4 | Low | 57.7 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 27% | 0.27 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 52.1 | -170.2 | -45.5 | 0 | 0 | 0 | 0 | 114.7 | M1385 G1389 D1398 E1399 C1402 | M1385-C1387 PolarHBondContact O-N 2.73Å; C1387-G1389 VanDerWaalsContact C-N 3.32Å; C1387-D1398 PolarHBondContact N-OD1 3.31Å; C1387-D1398 PolarHBondContact SG-O 2.86Å; C1387-E1399 VanDerWaalsContact CA-OE1 3.26Å; C1387-E1399 WeakPolarHBondContact CA-OE1 3.34Å; C1387-C1402 HydrophobicContact CB-CB 3.4Å; C1387-C1402 VanDerWaalsContact CB-CB 3.4Å; C1387-C1402 WeakPolarHBondContact CB-SG 3.04Å; C1387-C1402 WeakPolarHBondContact SG-CB 3.49Å; C1387-C1402 PolarHBondContact SG-N 2.88Å; C1387-C1402 VanDerWaalsContact SG-N 3.36Å; C1387-C1402 CovalentContact SG-SG 2.03Å; C1387-C1402 PolarHBondContact SG-SG 2.8Å |
| 1388 | D | 50.5 | Low | 58 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -83.3 | -5.6 | 168.9 | 91.6 | -32.2 | 0 | 0 | 0 | 113.6 | M1385 R1390 | M1385-D1388 PolarHBondContact O-N 2.79Å; D1388-R1390 WeakPolarHBondContact OD1-CA 3.29Å; D1388-R1390 VanDerWaalsContact OD1-CB 3.29Å; D1388-R1390 WeakPolarHBondContact OD1-CB 3.41Å; D1388-R1390 PolarHBondContact OD1-N 2.95Å; D1388-R1390 IonicContact OD1-NE 3.17Å; D1388-R1390 IonicContact OD2-CZ 3.25Å; D1388-R1390 IonicContact OD2-NE 2.72Å; D1388-R1390 PolarHBondContact OD2-NE 3.41Å; D1388-R1390 IonicContact OD2-NH2 2.69Å; D1388-R1390 PolarHBondContact OD2-NH2 2.81Å |
| 1389 | G | 59 | Low | 58.4 | Low | 57 Ų | 57 | 71.5 Ų | 71.5 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 100.3 | 1.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C1387 E1399 | C1387-G1389 VanDerWaalsContact C-N 3.32Å; G1389-E1399 VanDerWaalsContact CA-OE1 3.23Å; G1389-E1399 WeakPolarHBondContact CA-OE1 3.36Å; G1389-E1399 PolarHBondContact N-OE1 3.21Å |
| 1390 | R | 52.9 | Low | 58.3 | Low | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -115.3 | 157.6 | 174.6 | -68.5 | 177 | -79.4 | -152.1 | -2.1 | 111.7 | D1388 D1392 E1399 | D1388-R1390 WeakPolarHBondContact OD1-CA 3.29Å; D1388-R1390 VanDerWaalsContact OD1-CB 3.29Å; D1388-R1390 WeakPolarHBondContact OD1-CB 3.41Å; D1388-R1390 PolarHBondContact OD1-N 2.95Å; D1388-R1390 IonicContact OD1-NE 3.17Å; D1388-R1390 IonicContact OD2-CZ 3.25Å; D1388-R1390 IonicContact OD2-NE 2.72Å; D1388-R1390 PolarHBondContact OD2-NE 3.41Å; D1388-R1390 IonicContact OD2-NH2 2.69Å; D1388-R1390 PolarHBondContact OD2-NH2 2.81Å; R1390-D1392 WeakPolarHBondContact CB-OD1 3.23Å; R1390-D1392 IonicContact NE-OD2 3.04Å; R1390-D1392 PolarHBondContact O-N 2.8Å; R1390-E1399 WeakPolarHBondContact O-CG 3.16Å |
| 1391 | Q | 56.9 | Low | 57.8 | Low | 117 Ų | 117 | 72 Ų | 72 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | trans | -90.5 | 58.6 | 174.7 | -157 | -149.7 | -57.1 | 0 | 0 | 109.9 | C1393 A1396 | Q1391-C1393 WeakPolarHBondContact CG-O 3.3Å; Q1391-C1393 PolarHBondContact NE2-O 2.93Å; Q1391-C1393 PolarHBondContact O-N 2.86Å; Q1391-A1396 HydrophobicContact CG-CB 3.65Å | ||
| 1392 | D | 53.8 | Low | 57.5 | Low | 59 Ų | 59 | 73.1 Ų | 73.1 | 32% | 0.316 | 39% | 0.388 | S | S | . | . | trans | -69.9 | -3.9 | -173.5 | -72.6 | -12.8 | 0 | 0 | 0 | 112.6 | I1381 M1385 R1390 D1398 | I1381-D1392 HydrophobicContact CG2-CB 4.45Å; M1385-D1392 HydrophobicContact CE-CB 4.13Å; M1385-D1392 WeakPolarHBondContact CE-OD2 3.32Å; R1390-D1392 WeakPolarHBondContact CB-OD1 3.23Å; R1390-D1392 IonicContact NE-OD2 3.04Å; R1390-D1392 PolarHBondContact O-N 2.8Å; D1392-D1398 PolarHBondContact N-OD2 2.91Å | ||
| 1393 | C | 64.6 | Low | 57.2 | Low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -112.9 | 133.5 | 165.3 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | C1375 E1379 Q1391 D1395 A1396 D1398 | C1375-C1393 HydrophobicContact CB-CB 3.29Å; C1375-C1393 WeakPolarHBondContact CB-SG 3.45Å; C1375-C1393 WeakPolarHBondContact SG-CB 3.25Å; C1375-C1393 CovalentContact SG-SG 2Å; C1375-C1393 PolarHBondContact SG-SG 3.43Å; E1379-C1393 HydrophobicContact CG-CB 4.33Å; Q1391-C1393 WeakPolarHBondContact CG-O 3.3Å; Q1391-C1393 PolarHBondContact NE2-O 2.93Å; Q1391-C1393 PolarHBondContact O-N 2.86Å; C1393-D1395 PolarHBondContact O-N 2.85Å; C1393-A1396 PolarHBondContact O-N 2.82Å; C1393-D1398 HydrophobicContact CB-CB 4.01Å |
| 1394 | R | 64.5 | Low | 56.4 | Low | 210 Ų | 210 | 74.5 Ų | 74.5 | 79% | 0.792 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.3 | -176.7 | -168.2 | 173 | 179.7 | 173.6 | 0.4 | 116.4 | S1377 | S1377-R1394 PolarHBondContact OG-N 2.89Š|
| 1395 | D | 59 | Low | 56.2 | Low | 99 Ų | 99 | 81 Ų | 81 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 24.7 | 173.9 | -171.3 | 56 | 0 | 0 | 0 | 113.1 | S1376 S1377 C1393 S1397 | S1376-D1395 WeakPolarHBondContact CB-OD2 3.34Å; S1376-D1395 WeakPolarHBondContact OG-CB 3.5Å; S1376-D1395 PolarHBondContact OG-O 3.39Å; S1376-D1395 PolarHBondContact OG-OD2 3.17Å; S1377-D1395 PolarHBondContact OG-N 2.89Å; C1393-D1395 PolarHBondContact O-N 2.85Å; D1395-S1397 PolarHBondContact O-N 3.1Å |
| 1396 | A | 58.2 | Low | 55.8 | Low | 36 Ų | 36 | 79.3 Ų | 79.3 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | trans | 57.4 | -1.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119 | Q1391 C1393 D1398 E1399 | Q1391-A1396 HydrophobicContact CG-CB 3.65Å; C1393-A1396 PolarHBondContact O-N 2.82Å; A1396-D1398 PolarHBondContact O-N 2.89Å; A1396-E1399 PolarHBondContact O-N 3.24Å; A1396-E1399 VanDerWaalsContact O-N 3.17Å | ||
| 1397 | S | 63.4 | Low | 55.6 | Low | 29 Ų | 29 | 83.8 Ų | 83.8 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | trans | -62.1 | -17.9 | -177.8 | -73.7 | 0 | 0 | 0 | 0 | 114.8 | Y1373 S1376 D1395 T1400 | Y1373-S1397 PolarHBondContact OH-O 2.83Å; S1376-S1397 WeakPolarHBondContact CB-OG 3.3Å; S1376-S1397 VanDerWaalsContact OG-CB 3.31Å; S1376-S1397 WeakPolarHBondContact OG-CB 3.42Å; S1376-S1397 PolarHBondContact OG-OG 2.83Å; D1395-S1397 PolarHBondContact O-N 3.1Å; S1397-T1400 PolarHBondContact O-N 3.28Å; S1397-T1400 PolarHBondContact O-OG1 2.89Å | ||
| 1398 | D | 59.9 | Low | 55.1 | Low | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -39.1 | -72.9 | 160.4 | 179.4 | -7.6 | 0 | 0 | 0 | 112.2 | I1381 R1386 C1387 D1392 C1393 A1396 T1400 | I1381-D1398 HydrophobicContact CD1-CB 3.9Å; I1381-D1398 WeakPolarHBondContact CD1-OD2 3.49Å; R1386-D1398 VanDerWaalsContact CA-OD1 3.28Å; R1386-D1398 WeakPolarHBondContact CA-OD1 3.37Å; C1387-D1398 PolarHBondContact N-OD1 3.31Å; C1387-D1398 PolarHBondContact SG-O 2.86Å; D1392-D1398 PolarHBondContact N-OD2 2.91Å; C1393-D1398 HydrophobicContact CB-CB 4.01Å; A1396-D1398 PolarHBondContact O-N 2.89Å; D1398-T1400 PolarHBondContact O-N 2.81Å |
| 1399 | E | 64.3 | Low | 54.9 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 5.3 | -177.3 | -73 | -82.9 | 104.5 | 0 | 0 | 114.4 | C1387 G1389 R1390 A1396 G1401 | C1387-E1399 VanDerWaalsContact CA-OE1 3.26Å; C1387-E1399 WeakPolarHBondContact CA-OE1 3.34Å; G1389-E1399 VanDerWaalsContact CA-OE1 3.23Å; G1389-E1399 WeakPolarHBondContact CA-OE1 3.36Å; G1389-E1399 PolarHBondContact N-OE1 3.21Å; R1390-E1399 WeakPolarHBondContact O-CG 3.16Å; A1396-E1399 PolarHBondContact O-N 3.24Å; A1396-E1399 VanDerWaalsContact O-N 3.17Å; E1399-G1401 PolarHBondContact O-N 2.77Å |
| 1400 | T | 54.6 | Low | 55.2 | Low | 81 Ų | 81 | 88.5 Ų | 88.5 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -94.1 | 87.3 | -176.6 | 67 | 0 | 0 | 0 | 0 | 112.8 | R1386 S1397 D1398 | R1386-T1400 PolarHBondContact NH2-O 3.27Å; S1397-T1400 PolarHBondContact O-N 3.28Å; S1397-T1400 PolarHBondContact O-OG1 2.89Å; D1398-T1400 PolarHBondContact O-N 2.81Å |
| 1401 | G | 50.4 | Low | 55.9 | Low | 67 Ų | 67 | 83.7 Ų | 83.7 | 69% | 0.691 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 90.7 | 47.5 | 157 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1399 | E1399-G1401 PolarHBondContact O-N 2.77Š|
| 1402 | C | 50.6 | Low | 56.4 | Low | 42 Ų | 42 | 81 Ų | 81 | 28% | 0.284 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 142.6 | 166.2 | -40.2 | 0 | 0 | 0 | 0 | 111.7 | R1386 C1387 | R1386-C1402 PolarHBondContact NH1-SG 2.83Å; R1386-C1402 PolarHBondContact O-SG 3.06Å; R1386-C1402 VanDerWaalsContact O-SG 3.33Å; C1387-C1402 HydrophobicContact CB-CB 3.4Å; C1387-C1402 VanDerWaalsContact CB-CB 3.4Å; C1387-C1402 WeakPolarHBondContact CB-SG 3.04Å; C1387-C1402 WeakPolarHBondContact SG-CB 3.49Å; C1387-C1402 PolarHBondContact SG-N 2.88Å; C1387-C1402 VanDerWaalsContact SG-N 3.36Å; C1387-C1402 CovalentContact SG-SG 2.03Å; C1387-C1402 PolarHBondContact SG-SG 2.8Å |
| 1403 | P | 47.1 | Very low | 56.9 | Low | 118 Ų | 118 | 78.5 Ų | 78.5 | 77% | 0.766 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 152 | 163.4 | -12.8 | 29.9 | 0 | 0 | 0 | 111.9 | ||
| 1404 | P | 47.1 | Very low | 56.7 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 63% | 0.63 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 131.6 | -169.3 | -3.3 | 23.5 | 0 | 0 | 0 | 112.7 | ||
| 1405 | R | 48 | Very low | 56.4 | Low | 234 Ų | 234 | 74.7 Ų | 74.7 | 88% | 0.883 | 43% | 0.431 | S | S | * | . | trans | -153 | 112.5 | 170.6 | -69.6 | -166.8 | 171.2 | 171.4 | -2.8 | 113.5 | ||||
| 1406 | C | 52.4 | Low | 56.4 | Low | 29 Ų | 29 | 71.9 Ų | 71.9 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 162.5 | 162.6 | -43.5 | 0 | 0 | 0 | 0 | 111.9 | Q1410 Q1412 C1418 | C1406-Q1410 HydrophobicContact CB-CB 3.72Å; C1406-Q1412 WeakPolarHBondContact SG-CB 3.36Å; C1406-C1418 VanDerWaalsContact CA-SG 3.5Å; C1406-C1418 HydrophobicContact CB-CB 3.82Å; C1406-C1418 WeakPolarHBondContact CB-SG 3.27Å; C1406-C1418 VanDerWaalsContact SG-CA 3.51Å; C1406-C1418 WeakPolarHBondContact SG-CB 3.44Å; C1406-C1418 CovalentContact SG-SG 2.03Å; C1406-C1418 PolarHBondContact SG-SG 2.99Å |
| 1407 | R | 47.2 | Very low | 56.3 | Low | 161 Ų | 161 | 74.2 Ų | 74.2 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 154.6 | 175.1 | -75.3 | 177.7 | 167.5 | 112.6 | -10.7 | 111.3 | G1409 Q1410 | R1407-G1409 PolarHBondContact O-N 2.8Å; R1407-Q1410 WeakPolarHBondContact O-CB 3.42Å; R1407-Q1410 PolarHBondContact O-N 3.26Å |
| 1408 | P | 53 | Low | 56.4 | Low | 139 Ų | 139 | 75.6 Ų | 75.6 | 90% | 0.903 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 130.3 | 179.7 | -22.5 | 34 | 0 | 0 | 0 | 111.7 | ||
| 1409 | G | 45.5 | Very low | 56.6 | Low | 42 Ų | 42 | 76.5 Ų | 76.5 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -14.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1407 Q1421 | R1407-G1409 PolarHBondContact O-N 2.8Å; G1409-Q1421 WeakPolarHBondContact O-CB 3.36Å; G1409-Q1421 VanDerWaalsContact O-CG 3.29Å; G1409-Q1421 WeakPolarHBondContact O-CG 3.32Å; G1409-Q1421 PolarHBondContact O-N 3.39Å |
| 1410 | Q | 66.5 | Low | 56.4 | Low | 72 Ų | 72 | 77.2 Ų | 77.2 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 160.4 | 167.5 | -70.3 | 168 | -17 | 0 | 0 | 111.6 | C1406 R1407 I1419 E1420 Q1421 | C1406-Q1410 HydrophobicContact CB-CB 3.72Å; R1407-Q1410 WeakPolarHBondContact O-CB 3.42Å; R1407-Q1410 PolarHBondContact O-N 3.26Å; Q1410-I1419 CarbonylContact C-O 3.55Å; Q1410-I1419 VanDerWaalsContact CA-O 3.23Å; Q1410-I1419 WeakPolarHBondContact CA-O 3.47Å; Q1410-I1419 VanDerWaalsContact CB-O 3.24Å; Q1410-I1419 WeakPolarHBondContact CB-O 3.44Å; Q1410-E1420 HydrophobicContact CG-CG 4.27Å; Q1410-Q1421 PolarHBondContact O-NE2 3.47Å |
| 1411 | Y | 67.4 | Low | 56.9 | Low | 45 Ų | 45 | 79 Ų | 79 | 18% | 0.176 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.3 | 176.9 | 169.4 | -104.2 | 0 | 0 | 0 | 109.1 | I1419 R1424 S1435 | Y1411-I1419 HydrophobicContact CD1-CD1 4.09Å; Y1411-I1419 HydrophobicContact CD1-CG1 4.01Å; Y1411-I1419 PolarHBondContact N-O 2.93Å; Y1411-I1419 PolarHBondContact O-N 3.43Å; Y1411-R1424 HydrophobicContact CD1-CB 3.82Å; Y1411-R1424 HydrophobicContact CD1-CG 3.58Å; Y1411-R1424 HydrophobicContact CD2-CG 4.1Å; Y1411-R1424 HydrophobicContact CE1-CB 4.49Å; Y1411-R1424 HydrophobicContact CE1-CG 3.81Å; Y1411-R1424 HydrophobicContact CE2-CG 4.3Å; Y1411-R1424 HydrophobicContact CG-CB 3.93Å; Y1411-R1424 HydrophobicContact CG-CG 3.73Å; Y1411-S1435 PolarHBondContact OH-O 2.79Å; Y1411-S1435 VanDerWaalsContact OH-O 3.13Å |
| 1412 | Q | 66.3 | Low | 57.2 | Low | 60 Ų | 60 | 81.6 Ų | 81.6 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.8 | 176.9 | -156.7 | 154.3 | 16.9 | 0 | 0 | 111.7 | C1406 G1416 | C1406-Q1412 WeakPolarHBondContact SG-CB 3.36Å; Q1412-G1416 WeakPolarHBondContact CG-O 3.42Å; Q1412-G1416 PolarHBondContact NE2-O 2.76Å |
| 1413 | C | 64.7 | Low | 57.8 | Low | 6 Ų | 6 | 82.6 Ų | 82.6 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | trans | -88.1 | 157.9 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | S1415 G1416 E1417 C1431 | C1413-S1415 PolarHBondContact O-N 2.78Å; C1413-G1416 PolarHBondContact O-N 3.47Å; C1413-E1417 HydrophobicContact CB-CB 4.37Å; C1413-E1417 PolarHBondContact N-O 2.83Å; C1413-C1431 HydrophobicContact CB-CB 3.48Å; C1413-C1431 VanDerWaalsContact CB-CB 3.48Å; C1413-C1431 WeakPolarHBondContact CB-SG 3.34Å; C1413-C1431 WeakPolarHBondContact SG-CB 3.34Å; C1413-C1431 CovalentContact SG-SG 2.01Å; C1413-C1431 PolarHBondContact SG-SG 3.32Å | ||
| 1414 | S | 60.9 | Low | 58.1 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 62% | 0.622 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.4 | 175.4 | -35.9 | 0 | 0 | 0 | 0 | 112.8 | G1416 S1435 | S1414-G1416 PolarHBondContact O-N 3.32Å; S1414-S1435 WeakPolarHBondContact CB-OG 3.36Å; S1414-S1435 PolarHBondContact N-OG 2.75Å; S1414-S1435 WeakPolarHBondContact OG-CB 3.3Å; S1414-S1435 PolarHBondContact OG-OG 3.12Å |
| 1415 | S | 58.8 | Low | 59 | Low | 41 Ų | 41 | 78.8 Ų | 78.8 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -1.6 | 168.8 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | C1413 E1417 R1432 | C1413-S1415 PolarHBondContact O-N 2.78Å; S1415-E1417 VanDerWaalsContact C-N 3.34Å; S1415-E1417 PolarHBondContact O-N 2.73Å; S1415-E1417 WeakPolarHBondContact OG-CG 3.13Å; S1415-R1432 PolarHBondContact OG-N 2.85Å |
| 1416 | G | 57.5 | Low | 59.2 | Low | 40 Ų | 40 | 68.8 Ų | 68.8 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 95 | -33.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1412 C1413 S1414 | Q1412-G1416 WeakPolarHBondContact CG-O 3.42Å; Q1412-G1416 PolarHBondContact NE2-O 2.76Å; C1413-G1416 PolarHBondContact O-N 3.47Å; S1414-G1416 PolarHBondContact O-N 3.32Å |
| 1417 | E | 55.8 | Low | 59.6 | Low | 85 Ų | 85 | 70.3 Ų | 70.3 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | trans | -46.5 | 137.1 | -179.4 | -45.6 | -70.6 | 178.1 | 0 | 0 | 113.4 | C1413 S1415 | C1413-E1417 HydrophobicContact CB-CB 4.37Å; C1413-E1417 PolarHBondContact N-O 2.83Å; S1415-E1417 VanDerWaalsContact C-N 3.34Å; S1415-E1417 PolarHBondContact O-N 2.73Å; S1415-E1417 WeakPolarHBondContact OG-CG 3.13Å | ||
| 1418 | C | 66.3 | Low | 60 | Low | 59 Ų | 59 | 69.1 Ų | 69.1 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 105.8 | 171.9 | -76.4 | 0 | 0 | 0 | 0 | 110.5 | C1406 | C1406-C1418 VanDerWaalsContact CA-SG 3.5Å; C1406-C1418 HydrophobicContact CB-CB 3.82Å; C1406-C1418 WeakPolarHBondContact CB-SG 3.27Å; C1406-C1418 VanDerWaalsContact SG-CA 3.51Å; C1406-C1418 WeakPolarHBondContact SG-CB 3.44Å; C1406-C1418 CovalentContact SG-SG 2.03Å; C1406-C1418 PolarHBondContact SG-SG 2.99Å |
| 1419 | I | 64.1 | Low | 60.2 | Low | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 163.3 | 175.8 | 65.2 | 176.5 | 0 | 0 | 0 | 110.2 | Q1410 Y1411 M1423 D1436 | Q1410-I1419 CarbonylContact C-O 3.55Å; Q1410-I1419 VanDerWaalsContact CA-O 3.23Å; Q1410-I1419 WeakPolarHBondContact CA-O 3.47Å; Q1410-I1419 VanDerWaalsContact CB-O 3.24Å; Q1410-I1419 WeakPolarHBondContact CB-O 3.44Å; Y1411-I1419 HydrophobicContact CD1-CD1 4.09Å; Y1411-I1419 HydrophobicContact CD1-CG1 4.01Å; Y1411-I1419 PolarHBondContact N-O 2.93Å; Y1411-I1419 PolarHBondContact O-N 3.43Å; I1419-M1423 HydrophobicContact CB-CB 3.92Å; I1419-M1423 HydrophobicContact CB-CG 4.48Å; I1419-M1423 HydrophobicContact CD1-CB 3.77Å; I1419-M1423 HydrophobicContact CG1-CB 4.07Å; I1419-D1436 HydrophobicContact CD1-CB 3.6Å |
| 1420 | E | 60.2 | Low | 60.6 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 153.6 | 173.2 | -64.2 | -168.6 | 158.4 | 0 | 0 | 112 | Q1410 Q1422 M1423 R1424 | Q1410-E1420 HydrophobicContact CG-CG 4.27Å; E1420-Q1422 HydrophobicContact CB-CG 3.9Å; E1420-Q1422 PolarHBondContact O-N 3.1Å; E1420-Q1422 PolarHBondContact OE2-NE2 3.14Å; E1420-M1423 HydrophobicContact CB-CG 4.22Å; E1420-M1423 WeakPolarHBondContact O-CB 3.31Å; E1420-M1423 PolarHBondContact O-N 2.87Å; E1420-R1424 PolarHBondContact O-N 3.38Å |
| 1421 | Q | 64.7 | Low | 60.5 | Low | 118 Ų | 118 | 65.7 Ų | 65.7 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.4 | 178.6 | -77.4 | 178.1 | 22.8 | 0 | 0 | 113.7 | G1409 Q1410 | G1409-Q1421 WeakPolarHBondContact O-CB 3.36Å; G1409-Q1421 VanDerWaalsContact O-CG 3.29Å; G1409-Q1421 WeakPolarHBondContact O-CG 3.32Å; G1409-Q1421 PolarHBondContact O-N 3.39Å; Q1410-Q1421 PolarHBondContact O-NE2 3.47Å |
| 1422 | Q | 56.8 | Low | 60.4 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.5 | 170.7 | 62.5 | 168.7 | -17.5 | 0 | 0 | 114.9 | E1420 R1445 | E1420-Q1422 HydrophobicContact CB-CG 3.9Å; E1420-Q1422 PolarHBondContact O-N 3.1Å; E1420-Q1422 PolarHBondContact OE2-NE2 3.14Å; Q1422-R1445 PolarHBondContact O-NH2 3.23Å |
| 1423 | M | 62.9 | Low | 60.1 | Low | 63 Ų | 63 | 75.6 Ų | 75.6 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -14.1 | 173.9 | -57.4 | -85.8 | -75.5 | 0 | 0 | 111.3 | I1419 E1420 D1426 D1430 | I1419-M1423 HydrophobicContact CB-CB 3.92Å; I1419-M1423 HydrophobicContact CB-CG 4.48Å; I1419-M1423 HydrophobicContact CD1-CB 3.77Å; I1419-M1423 HydrophobicContact CG1-CB 4.07Å; E1420-M1423 HydrophobicContact CB-CG 4.22Å; E1420-M1423 WeakPolarHBondContact O-CB 3.31Å; E1420-M1423 PolarHBondContact O-N 2.87Å; M1423-D1426 VanDerWaalsContact O-CB 3.29Å; M1423-D1426 WeakPolarHBondContact O-CB 3.42Å; M1423-D1430 HydrophobicContact CE-CB 4.18Å; M1423-D1430 WeakPolarHBondContact CE-OD2 3.33Å |
| 1424 | R | 53.1 | Low | 60 | Low | 98 Ų | 98 | 76.9 Ų | 76.9 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 133.1 | 171.1 | -172.5 | -156.9 | -179.6 | -170.3 | -2.4 | 109.4 | Y1411 E1420 D1426 | Y1411-R1424 HydrophobicContact CD1-CB 3.82Å; Y1411-R1424 HydrophobicContact CD1-CG 3.58Å; Y1411-R1424 HydrophobicContact CD2-CG 4.1Å; Y1411-R1424 HydrophobicContact CE1-CB 4.49Å; Y1411-R1424 HydrophobicContact CE1-CG 3.81Å; Y1411-R1424 HydrophobicContact CE2-CG 4.3Å; Y1411-R1424 HydrophobicContact CG-CB 3.93Å; Y1411-R1424 HydrophobicContact CG-CG 3.73Å; E1420-R1424 PolarHBondContact O-N 3.38Å; R1424-D1426 VanDerWaalsContact C-N 3.26Å |
| 1425 | C | 67 | Low | 60.1 | Low | 37 Ų | 37 | 72.7 Ų | 72.7 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 32 | -175.2 | -38.6 | 0 | 0 | 0 | 0 | 113.3 | D1436 E1437 C1440 | C1425-D1436 PolarHBondContact N-O 3.46Å; C1425-E1437 WeakPolarHBondContact CA-OE1 3.25Å; C1425-C1440 WeakPolarHBondContact CA-SG 3.29Å; C1425-C1440 HydrophobicContact CB-CB 3.63Å; C1425-C1440 WeakPolarHBondContact CB-SG 3.46Å; C1425-C1440 PolarHBondContact N-SG 3.29Å; C1425-C1440 WeakPolarHBondContact SG-CB 3.21Å; C1425-C1440 CovalentContact SG-SG 2.02Å; C1425-C1440 PolarHBondContact SG-SG 2.99Å |
| 1426 | D | 53.1 | Low | 60.4 | Low | 25 Ų | 25 | 70.8 Ų | 70.8 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -83 | -21.1 | -174.4 | 167 | -87.4 | 0 | 0 | 0 | 113.2 | M1423 R1424 R1428 E1437 R1445 | M1423-D1426 VanDerWaalsContact O-CB 3.29Å; M1423-D1426 WeakPolarHBondContact O-CB 3.42Å; R1424-D1426 VanDerWaalsContact C-N 3.26Å; D1426-R1428 WeakPolarHBondContact OD1-CB 3.25Å; D1426-R1428 IonicContact OD1-CZ 2.66Å; D1426-R1428 VanDerWaalsContact OD1-CZ 3.27Å; D1426-R1428 PolarHBondContact OD1-N 2.74Å; D1426-R1428 IonicContact OD1-NE 3.63Å; D1426-R1428 PolarHBondContact OD1-NE 3.07Å; D1426-R1428 IonicContact OD1-NH2 2.74Å; D1426-R1428 PolarHBondContact OD1-NH2 2.63Å; D1426-R1428 IonicContact OD2-CZ 2.88Å; D1426-R1428 IonicContact OD2-NE 3.19Å; D1426-R1428 IonicContact OD2-NH2 3.8Å; D1426-R1428 PolarHBondContact OD2-NH2 3.3Å; D1426-E1437 PolarHBondContact N-OE1 2.77Å; D1426-E1437 VanDerWaalsContact N-OE1 3.11Å; D1426-R1445 IonicContact OD2-CZ 2.6Å; D1426-R1445 IonicContact OD2-NH1 2.7Å; D1426-R1445 PolarHBondContact OD2-NH1 2.85Å; D1426-R1445 IonicContact OD2-NH2 3.85Å; D1426-R1445 PolarHBondContact OD2-NH2 3.09Å |
| 1427 | G | 60.4 | Low | 60.9 | Low | 60 Ų | 60 | 72.3 Ų | 72.3 | 62% | 0.619 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 93.3 | 0.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | E1437 | G1427-E1437 WeakPolarHBondContact CA-OE2 3.3Å; G1427-E1437 PolarHBondContact N-OE1 2.91Å |
| 1428 | R | 55.7 | Low | 60.9 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -111.1 | 150.8 | 168.4 | -75.4 | 172.2 | -73.4 | -179.2 | 2.9 | 110.7 | D1426 D1430 E1437 | D1426-R1428 WeakPolarHBondContact OD1-CB 3.25Å; D1426-R1428 IonicContact OD1-CZ 2.66Å; D1426-R1428 VanDerWaalsContact OD1-CZ 3.27Å; D1426-R1428 PolarHBondContact OD1-N 2.74Å; D1426-R1428 IonicContact OD1-NE 3.63Å; D1426-R1428 PolarHBondContact OD1-NE 3.07Å; D1426-R1428 IonicContact OD1-NH2 2.74Å; D1426-R1428 PolarHBondContact OD1-NH2 2.63Å; D1426-R1428 IonicContact OD2-CZ 2.88Å; D1426-R1428 IonicContact OD2-NE 3.19Å; D1426-R1428 IonicContact OD2-NH2 3.8Å; D1426-R1428 PolarHBondContact OD2-NH2 3.3Å; R1428-D1430 WeakPolarHBondContact CB-OD1 3.47Å; R1428-D1430 PolarHBondContact O-N 3.39Å; R1428-E1437 VanDerWaalsContact O-CG 3.25Å; R1428-E1437 WeakPolarHBondContact O-CG 3.36Å |
| 1429 | Q | 57.1 | Low | 60.3 | Low | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | trans | -87.9 | 63.9 | 171 | -156.2 | -147.9 | -55.9 | 0 | 0 | 109.5 | C1431 A1434 | Q1429-C1431 WeakPolarHBondContact CG-O 3.42Å; Q1429-C1431 PolarHBondContact NE2-O 3.47Å; Q1429-C1431 PolarHBondContact O-N 3.35Å; Q1429-A1434 HydrophobicContact CG-CB 3.61Å | ||
| 1430 | D | 54.1 | Low | 59.7 | Low | 59 Ų | 59 | 73.2 Ų | 73.2 | 32% | 0.316 | 38% | 0.384 | S | S | . | . | trans | -65.3 | -23.8 | 178.3 | -68.2 | -26.1 | 0 | 0 | 0 | 111.3 | M1423 R1428 D1436 | M1423-D1430 HydrophobicContact CE-CB 4.18Å; M1423-D1430 WeakPolarHBondContact CE-OD2 3.33Å; R1428-D1430 WeakPolarHBondContact CB-OD1 3.47Å; R1428-D1430 PolarHBondContact O-N 3.39Å; D1430-D1436 WeakPolarHBondContact CA-OD2 3.43Å; D1430-D1436 PolarHBondContact N-OD2 3.13Å | ||
| 1431 | C | 64.6 | Low | 59 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -98.1 | 137.8 | 173.9 | -75.1 | 0 | 0 | 0 | 0 | 114.2 | C1413 Q1429 D1433 A1434 D1436 | C1413-C1431 HydrophobicContact CB-CB 3.48Å; C1413-C1431 VanDerWaalsContact CB-CB 3.48Å; C1413-C1431 WeakPolarHBondContact CB-SG 3.34Å; C1413-C1431 WeakPolarHBondContact SG-CB 3.34Å; C1413-C1431 CovalentContact SG-SG 2.01Å; C1413-C1431 PolarHBondContact SG-SG 3.32Å; Q1429-C1431 WeakPolarHBondContact CG-O 3.42Å; Q1429-C1431 PolarHBondContact NE2-O 3.47Å; Q1429-C1431 PolarHBondContact O-N 3.35Å; C1431-D1433 PolarHBondContact O-N 2.84Å; C1431-A1434 PolarHBondContact O-N 2.81Å; C1431-D1436 HydrophobicContact CB-CB 4.14Å; C1431-D1436 PolarHBondContact N-OD2 3.34Å |
| 1432 | R | 64.7 | Low | 58.1 | Low | 210 Ų | 210 | 70.6 Ų | 70.6 | 79% | 0.792 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.2 | -170.6 | -153.1 | 170.8 | -175.1 | 168.6 | 0.9 | 115.8 | S1415 | S1415-R1432 PolarHBondContact OG-N 2.85Š|
| 1433 | D | 60.4 | Low | 57.7 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 33.6 | 174.3 | -166.3 | 42.4 | 0 | 0 | 0 | 111.9 | C1431 S1435 | C1431-D1433 PolarHBondContact O-N 2.84Å; D1433-S1435 PolarHBondContact O-N 3.35Å; D1433-S1435 PolarHBondContact O-OG 3.36Å |
| 1434 | A | 61.2 | Low | 57.1 | Low | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 50.4 | 22 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1429 C1431 D1436 E1437 T1438 | Q1429-A1434 HydrophobicContact CG-CB 3.61Å; C1431-A1434 PolarHBondContact O-N 2.81Å; A1434-D1436 WeakPolarHBondContact CA-OD1 3.37Å; A1434-E1437 PolarHBondContact O-N 2.87Å; A1434-T1438 VanDerWaalsContact O-CG2 3.28Å; A1434-T1438 WeakPolarHBondContact O-CG2 3.29Å; A1434-T1438 PolarHBondContact O-N 3.46Å; A1434-T1438 VanDerWaalsContact O-N 3.09Å |
| 1435 | S | 64.6 | Low | 56.9 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -28 | -163.9 | -60.2 | 0 | 0 | 0 | 0 | 114 | Y1411 S1414 D1433 E1437 T1438 | Y1411-S1435 PolarHBondContact OH-O 2.79Å; Y1411-S1435 VanDerWaalsContact OH-O 3.13Å; S1414-S1435 WeakPolarHBondContact CB-OG 3.36Å; S1414-S1435 PolarHBondContact N-OG 2.75Å; S1414-S1435 WeakPolarHBondContact OG-CB 3.3Å; S1414-S1435 PolarHBondContact OG-OG 3.12Å; D1433-S1435 PolarHBondContact O-N 3.35Å; D1433-S1435 PolarHBondContact O-OG 3.36Å; S1435-E1437 PolarHBondContact O-N 3.31Å; S1435-T1438 WeakPolarHBondContact CA-OG1 3.04Å; S1435-T1438 PolarHBondContact O-N 3.32Å; S1435-T1438 PolarHBondContact O-OG1 3.36Å; S1435-T1438 VanDerWaalsContact O-OG1 3.13Å |
| 1436 | D | 65.1 | Low | 56 | Low | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -34.5 | 162 | 49.7 | -11.2 | 0 | 0 | 0 | 113.8 | I1419 C1425 D1430 C1431 A1434 C1440 | I1419-D1436 HydrophobicContact CD1-CB 3.6Å; C1425-D1436 PolarHBondContact N-O 3.46Å; D1430-D1436 WeakPolarHBondContact CA-OD2 3.43Å; D1430-D1436 PolarHBondContact N-OD2 3.13Å; C1431-D1436 HydrophobicContact CB-CB 4.14Å; C1431-D1436 PolarHBondContact N-OD2 3.34Å; A1434-D1436 WeakPolarHBondContact CA-OD1 3.37Å; D1436-C1440 PolarHBondContact O-SG 2.99Å |
| 1437 | E | 66.5 | Low | 55.8 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 34% | 0.336 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -17 | 179 | -68.6 | -70.9 | 106.6 | 0 | 0 | 112.8 | C1425 D1426 G1427 R1428 A1434 S1435 | C1425-E1437 WeakPolarHBondContact CA-OE1 3.25Å; D1426-E1437 PolarHBondContact N-OE1 2.77Å; D1426-E1437 VanDerWaalsContact N-OE1 3.11Å; G1427-E1437 WeakPolarHBondContact CA-OE2 3.3Å; G1427-E1437 PolarHBondContact N-OE1 2.91Å; R1428-E1437 VanDerWaalsContact O-CG 3.25Å; R1428-E1437 WeakPolarHBondContact O-CG 3.36Å; A1434-E1437 PolarHBondContact O-N 2.87Å; S1435-E1437 PolarHBondContact O-N 3.31Å |
| 1438 | T | 57.2 | Low | 56.2 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 133.3 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | A1434 S1435 C1440 | A1434-T1438 VanDerWaalsContact O-CG2 3.28Å; A1434-T1438 WeakPolarHBondContact O-CG2 3.29Å; A1434-T1438 PolarHBondContact O-N 3.46Å; A1434-T1438 VanDerWaalsContact O-N 3.09Å; S1435-T1438 WeakPolarHBondContact CA-OG1 3.04Å; S1435-T1438 PolarHBondContact O-N 3.32Å; S1435-T1438 PolarHBondContact O-OG1 3.36Å; S1435-T1438 VanDerWaalsContact O-OG1 3.13Å; T1438-C1440 PolarHBondContact O-N 2.92Å |
| 1439 | G | 53.2 | Low | 56.8 | Low | 74 Ų | 74 | 74.3 Ų | 74.3 | 76% | 0.763 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1441 | G1439-P1441 WeakPolarHBondContact O-CD 3.32Š|
| 1440 | C | 51.9 | Low | 57.5 | Low | 28 Ų | 28 | 71.8 Ų | 71.8 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 123.8 | 168.5 | -81.4 | 0 | 0 | 0 | 0 | 111.4 | C1425 D1436 T1438 | C1425-C1440 WeakPolarHBondContact CA-SG 3.29Å; C1425-C1440 HydrophobicContact CB-CB 3.63Å; C1425-C1440 WeakPolarHBondContact CB-SG 3.46Å; C1425-C1440 PolarHBondContact N-SG 3.29Å; C1425-C1440 WeakPolarHBondContact SG-CB 3.21Å; C1425-C1440 CovalentContact SG-SG 2.02Å; C1425-C1440 PolarHBondContact SG-SG 2.99Å; D1436-C1440 PolarHBondContact O-SG 2.99Å; T1438-C1440 PolarHBondContact O-N 2.92Å |
| 1441 | P | 45.6 | Very low | 58.1 | Low | 74 Ų | 74 | 69.2 Ų | 69.2 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 123.8 | 155.7 | -8.5 | 25.1 | 0 | 0 | 0 | 106.3 | G1439 R1443 | G1439-P1441 WeakPolarHBondContact O-CD 3.32Å; P1441-R1443 WeakPolarHBondContact O-CG 3.26Å; P1441-R1443 PolarHBondContact O-N 2.82Å |
| 1442 | P | 44.9 | Very low | 58 | Low | 84 Ų | 84 | 73.1 Ų | 73.1 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -58 | 127.2 | 179.4 | 23.6 | -32.7 | 0 | 0 | 0 | 108.5 | Q1450 | P1442-Q1450 VanDerWaalsContact O-CD 3.31Å; P1442-Q1450 PolarHBondContact O-NE2 2.86Å; P1442-Q1450 PolarHBondContact O-OE1 2.99Å; P1442-Q1450 VanDerWaalsContact O-OE1 3.11Å |
| 1443 | R | 47.8 | Very low | 57.8 | Low | 189 Ų | 189 | 65.2 Ų | 65.2 | 71% | 0.713 | 38% | 0.382 | S | S | * | . | trans | -150.7 | 117.7 | -172.5 | -81.6 | -177.6 | 171.7 | -169.2 | -4.2 | 110.1 | P1441 | P1441-R1443 WeakPolarHBondContact O-CG 3.26Å; P1441-R1443 PolarHBondContact O-N 2.82Å | ||
| 1444 | C | 52.1 | Low | 57.9 | Low | 24 Ų | 24 | 62.4 Ų | 62.4 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -75 | 160.1 | 171.8 | -40.7 | 0 | 0 | 0 | 0 | 110.4 | Q1448 Y1449 Q1450 C1456 | C1444-Q1448 HydrophobicContact CB-CB 3.45Å; C1444-Q1448 VanDerWaalsContact CB-CB 3.45Å; C1444-Y1449 PolarHBondContact SG-O 3.07Å; C1444-Q1450 VanDerWaalsContact SG-CA 3.55Å; C1444-Q1450 WeakPolarHBondContact SG-CB 3.12Å; C1444-C1456 WeakPolarHBondContact CA-SG 3.22Å; C1444-C1456 HydrophobicContact CB-CB 3.66Å; C1444-C1456 WeakPolarHBondContact CB-SG 3.49Å; C1444-C1456 WeakPolarHBondContact SG-CA 3.37Å; C1444-C1456 WeakPolarHBondContact SG-CB 3.21Å; C1444-C1456 CovalentContact SG-SG 2.03Å; C1444-C1456 PolarHBondContact SG-SG 3.39Å |
| 1445 | R | 47.1 | Very low | 58 | Low | 109 Ų | 109 | 64.4 Ų | 64.4 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 156.5 | -178.5 | -71.2 | -178.8 | 162.5 | 98.1 | 1.9 | 111.3 | Q1422 D1426 G1447 Q1448 | Q1422-R1445 PolarHBondContact O-NH2 3.23Å; D1426-R1445 IonicContact OD2-CZ 2.6Å; D1426-R1445 IonicContact OD2-NH1 2.7Å; D1426-R1445 PolarHBondContact OD2-NH1 2.85Å; D1426-R1445 IonicContact OD2-NH2 3.85Å; D1426-R1445 PolarHBondContact OD2-NH2 3.09Å; R1445-G1447 PolarHBondContact O-N 3.47Å; R1445-Q1448 HydrophobicContact CB-CG 4.49Å; R1445-Q1448 WeakPolarHBondContact O-CA 3.26Å; R1445-Q1448 VanDerWaalsContact O-CB 3.25Å; R1445-Q1448 WeakPolarHBondContact O-CB 3.34Å; R1445-Q1448 PolarHBondContact O-N 2.75Å |
| 1446 | P | 48.5 | Very low | 58.2 | Low | 140 Ų | 140 | 67.4 Ų | 67.4 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 125.6 | 175.4 | -23.1 | 34.3 | 0 | 0 | 0 | 110.5 | ||
| 1447 | G | 49.1 | Very low | 58.2 | Low | 43 Ų | 43 | 68.1 Ų | 68.1 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 2.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1445 Q1459 | R1445-G1447 PolarHBondContact O-N 3.47Å; G1447-Q1459 WeakPolarHBondContact O-CB 3.38Å; G1447-Q1459 PolarHBondContact O-N 2.03Å |
| 1448 | Q | 69 | Low | 57.9 | Low | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.1 | 169.8 | -63.6 | 178.5 | -23 | 0 | 0 | 111.4 | C1444 R1445 I1457 E1458 | C1444-Q1448 HydrophobicContact CB-CB 3.45Å; C1444-Q1448 VanDerWaalsContact CB-CB 3.45Å; R1445-Q1448 HydrophobicContact CB-CG 4.49Å; R1445-Q1448 WeakPolarHBondContact O-CA 3.26Å; R1445-Q1448 VanDerWaalsContact O-CB 3.25Å; R1445-Q1448 WeakPolarHBondContact O-CB 3.34Å; R1445-Q1448 PolarHBondContact O-N 2.75Å; Q1448-I1457 CarbonylContact C-O 3.52Å; Q1448-I1457 WeakPolarHBondContact CA-O 3.47Å; Q1448-I1457 WeakPolarHBondContact CB-O 3.36Å; Q1448-E1458 HydrophobicContact CG-CG 4.32Å |
| 1449 | Y | 68.7 | Low | 58.3 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 19% | 0.192 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 154.1 | 172.7 | 177 | -104.3 | 0 | 0 | 0 | 110.9 | C1444 I1457 R1462 S1473 D1474 | C1444-Y1449 PolarHBondContact SG-O 3.07Å; Y1449-I1457 HydrophobicContact CD1-CD1 4.09Å; Y1449-I1457 HydrophobicContact CD1-CG1 4.16Å; Y1449-I1457 PolarHBondContact N-O 2.88Å; Y1449-I1457 PolarHBondContact O-N 3.29Å; Y1449-I1457 VanDerWaalsContact O-O 3.13Å; Y1449-R1462 HydrophobicContact CD1-CB 4.02Å; Y1449-R1462 HydrophobicContact CD1-CG 3.75Å; Y1449-R1462 HydrophobicContact CD2-CB 4.45Å; Y1449-R1462 VanDerWaalsContact CD2-CD 3.42Å; Y1449-R1462 HydrophobicContact CD2-CG 3.88Å; Y1449-R1462 HydrophobicContact CE1-CG 4.04Å; Y1449-R1462 HydrophobicContact CE2-CG 4.15Å; Y1449-R1462 HydrophobicContact CG-CB 3.82Å; Y1449-R1462 HydrophobicContact CG-CG 3.64Å; Y1449-S1473 PolarHBondContact OH-O 2.85Å; Y1449-D1474 HydrophobicContact CD1-CB 4.47Å; Y1449-D1474 HydrophobicContact CE1-CB 4.28Å |
| 1450 | Q | 71.4 | Confident | 58.6 | Low | 70 Ų | 70 | 74.9 Ų | 74.9 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.6 | -172.5 | -173.5 | 175.5 | -6.3 | 0 | 0 | 111.5 | P1442 C1444 | P1442-Q1450 VanDerWaalsContact O-CD 3.31Å; P1442-Q1450 PolarHBondContact O-NE2 2.86Å; P1442-Q1450 PolarHBondContact O-OE1 2.99Å; P1442-Q1450 VanDerWaalsContact O-OE1 3.11Å; C1444-Q1450 VanDerWaalsContact SG-CA 3.55Å; C1444-Q1450 WeakPolarHBondContact SG-CB 3.12Å |
| 1451 | C | 67.2 | Low | 59.2 | Low | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.034 | 42% | 0.416 | C | S | . | . | trans | -71.2 | 149.6 | 174 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | S1453 G1454 E1455 C1469 | C1451-S1453 WeakPolarHBondContact CB-OG 3.42Å; C1451-S1453 PolarHBondContact O-N 2.83Å; C1451-G1454 WeakPolarHBondContact O-CA 3.5Å; C1451-G1454 PolarHBondContact O-N 2.69Å; C1451-E1455 HydrophobicContact CB-CB 4.35Å; C1451-E1455 WeakPolarHBondContact CB-O 2.95Å; C1451-E1455 PolarHBondContact N-O 3.01Å; C1451-E1455 PolarHBondContact SG-O 2.99Å; C1451-E1455 VanDerWaalsContact SG-O 3.41Å; C1451-C1469 VanDerWaalsContact CA-SG 3.52Å; C1451-C1469 HydrophobicContact CB-CB 3.64Å; C1451-C1469 WeakPolarHBondContact CB-SG 3.33Å; C1451-C1469 WeakPolarHBondContact SG-CA 3.38Å; C1451-C1469 WeakPolarHBondContact SG-CB 3.13Å; C1451-C1469 CovalentContact SG-SG 2.02Å; C1451-C1469 PolarHBondContact SG-SG 2.85Å | ||
| 1452 | S | 61.1 | Low | 59.6 | Low | 82 Ų | 82 | 77.3 Ų | 77.3 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.9 | 165.7 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | G1454 D1471 S1473 | S1452-G1454 PolarHBondContact O-N 3.47Å; S1452-D1471 PolarHBondContact OG-OD2 2.92Å; S1452-S1473 VanDerWaalsContact N-CB 3.26Å; S1452-S1473 PolarHBondContact N-OG 2.86Å; S1452-S1473 VanDerWaalsContact OG-CB 3.31Å; S1452-S1473 WeakPolarHBondContact OG-CB 3.35Å; S1452-S1473 PolarHBondContact OG-OG 3.37Å |
| 1453 | S | 62.4 | Low | 60.7 | Low | 45 Ų | 45 | 74.7 Ų | 74.7 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.8 | 165.3 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | C1451 R1470 | C1451-S1453 WeakPolarHBondContact CB-OG 3.42Å; C1451-S1453 PolarHBondContact O-N 2.83Å; S1453-R1470 PolarHBondContact OG-N 3.25Å |
| 1454 | G | 61.5 | Low | 61 | Low | 43 Ų | 43 | 67.7 Ų | 67.7 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 89.2 | 1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1451 S1452 | C1451-G1454 WeakPolarHBondContact O-CA 3.5Å; C1451-G1454 PolarHBondContact O-N 2.69Å; S1452-G1454 PolarHBondContact O-N 3.47Å |
| 1455 | E | 62.6 | Low | 61.5 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | trans | -83.8 | 158.1 | 177.6 | -53.6 | -167.4 | -150.2 | 0 | 0 | 111.5 | C1451 R1470 | C1451-E1455 HydrophobicContact CB-CB 4.35Å; C1451-E1455 WeakPolarHBondContact CB-O 2.95Å; C1451-E1455 PolarHBondContact N-O 3.01Å; C1451-E1455 PolarHBondContact SG-O 2.99Å; C1451-E1455 VanDerWaalsContact SG-O 3.41Å; E1455-R1470 WeakPolarHBondContact OE1-CD 2.94Å; E1455-R1470 IonicContact OE1-CZ 3.53Å; E1455-R1470 IonicContact OE1-NE 2.65Å; E1455-R1470 IonicContact OE1-NH1 3.68Å; E1455-R1470 PolarHBondContact OE1-NH1 3.41Å | ||
| 1456 | C | 68.7 | Low | 62 | Low | 64 Ų | 64 | 71 Ų | 71 | 43% | 0.432 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.4 | -175.2 | -77.7 | 0 | 0 | 0 | 0 | 111.3 | C1444 | C1444-C1456 WeakPolarHBondContact CA-SG 3.22Å; C1444-C1456 HydrophobicContact CB-CB 3.66Å; C1444-C1456 WeakPolarHBondContact CB-SG 3.49Å; C1444-C1456 WeakPolarHBondContact SG-CA 3.37Å; C1444-C1456 WeakPolarHBondContact SG-CB 3.21Å; C1444-C1456 CovalentContact SG-SG 2.03Å; C1444-C1456 PolarHBondContact SG-SG 3.39Å |
| 1457 | I | 65.7 | Low | 62.6 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 162.7 | -179.3 | 66.4 | 178.7 | 0 | 0 | 0 | 109.5 | Q1448 Y1449 M1461 D1468 D1474 | Q1448-I1457 CarbonylContact C-O 3.52Å; Q1448-I1457 WeakPolarHBondContact CA-O 3.47Å; Q1448-I1457 WeakPolarHBondContact CB-O 3.36Å; Y1449-I1457 HydrophobicContact CD1-CD1 4.09Å; Y1449-I1457 HydrophobicContact CD1-CG1 4.16Å; Y1449-I1457 PolarHBondContact N-O 2.88Å; Y1449-I1457 PolarHBondContact O-N 3.29Å; Y1449-I1457 VanDerWaalsContact O-O 3.13Å; I1457-M1461 HydrophobicContact CB-CB 4.19Å; I1457-M1461 HydrophobicContact CB-CE 4.01Å; I1457-M1461 HydrophobicContact CD1-CB 3.93Å; I1457-M1461 WeakPolarHBondContact CD1-O 3.16Å; I1457-M1461 HydrophobicContact CG1-CB 4.24Å; I1457-M1461 HydrophobicContact CG2-CE 4.15Å; I1457-D1468 HydrophobicContact CD1-CB 4.48Å; I1457-D1468 HydrophobicContact CG2-CB 4.27Å; I1457-D1474 HydrophobicContact CD1-CB 3.68Å |
| 1458 | E | 59.7 | Low | 63 | Low | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 154 | 174.4 | -66.4 | -160.1 | 161.2 | 0 | 0 | 112.3 | Q1448 Q1460 M1461 | Q1448-E1458 HydrophobicContact CG-CG 4.32Å; E1458-Q1460 HydrophobicContact CB-CG 3.8Å; E1458-Q1460 PolarHBondContact O-N 2.86Å; E1458-Q1460 VanDerWaalsContact O-N 3.11Å; E1458-Q1460 PolarHBondContact OE2-NE2 3.09Å; E1458-M1461 HydrophobicContact CB-CG 4.47Å; E1458-M1461 WeakPolarHBondContact O-CA 3.46Å; E1458-M1461 PolarHBondContact O-N 3.02Å |
| 1459 | Q | 66.3 | Low | 63 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.8 | -177.8 | -168.6 | 166.3 | 98.9 | 0 | 0 | 112.7 | G1447 | G1447-Q1459 WeakPolarHBondContact O-CB 3.38Å; G1447-Q1459 PolarHBondContact O-N 2.03Å |
| 1460 | Q | 59.6 | Low | 62.8 | Low | 149 Ų | 149 | 75.2 Ų | 75.2 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.5 | 166.4 | 57.6 | 170 | -23.7 | 0 | 0 | 114.5 | E1458 R1462 | E1458-Q1460 HydrophobicContact CB-CG 3.8Å; E1458-Q1460 PolarHBondContact O-N 2.86Å; E1458-Q1460 VanDerWaalsContact O-N 3.11Å; E1458-Q1460 PolarHBondContact OE2-NE2 3.09Å; Q1460-R1462 VanDerWaalsContact C-N 3.33Å |
| 1461 | M | 63.7 | Low | 62.4 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 30% | 0.3 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -92.2 | 2.6 | 173.9 | -49 | -140.2 | -48.4 | 0 | 0 | 112.2 | I1457 E1458 D1468 | I1457-M1461 HydrophobicContact CB-CB 4.19Å; I1457-M1461 HydrophobicContact CB-CE 4.01Å; I1457-M1461 HydrophobicContact CD1-CB 3.93Å; I1457-M1461 WeakPolarHBondContact CD1-O 3.16Å; I1457-M1461 HydrophobicContact CG1-CB 4.24Å; I1457-M1461 HydrophobicContact CG2-CE 4.15Å; E1458-M1461 HydrophobicContact CB-CG 4.47Å; E1458-M1461 WeakPolarHBondContact O-CA 3.46Å; E1458-M1461 PolarHBondContact O-N 3.02Å; M1461-D1468 HydrophobicContact CE-CB 4.13Å; M1461-D1468 WeakPolarHBondContact CE-OD2 3.33Å |
| 1462 | R | 55.3 | Low | 62.1 | Low | 93 Ų | 93 | 78 Ų | 78 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 124.7 | 167.8 | -170.6 | -158.2 | -179.8 | -145.5 | -10.6 | 108.9 | Y1449 Q1460 | Y1449-R1462 HydrophobicContact CD1-CB 4.02Å; Y1449-R1462 HydrophobicContact CD1-CG 3.75Å; Y1449-R1462 HydrophobicContact CD2-CB 4.45Å; Y1449-R1462 VanDerWaalsContact CD2-CD 3.42Å; Y1449-R1462 HydrophobicContact CD2-CG 3.88Å; Y1449-R1462 HydrophobicContact CE1-CG 4.04Å; Y1449-R1462 HydrophobicContact CE2-CG 4.15Å; Y1449-R1462 HydrophobicContact CG-CB 3.82Å; Y1449-R1462 HydrophobicContact CG-CG 3.64Å; Q1460-R1462 VanDerWaalsContact C-N 3.33Å |
| 1463 | C | 68.1 | Low | 62.4 | Low | 28 Ų | 28 | 74.1 Ų | 74.1 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 36.5 | -175.4 | -40.8 | 0 | 0 | 0 | 0 | 114 | D1474 E1475 C1478 | C1463-D1474 PolarHBondContact N-O 3.1Å; C1463-D1474 VanDerWaalsContact N-O 3.14Å; C1463-E1475 WeakPolarHBondContact CA-OE1 3.29Å; C1463-C1478 WeakPolarHBondContact CA-SG 3.46Å; C1463-C1478 HydrophobicContact CB-CB 3.64Å; C1463-C1478 WeakPolarHBondContact CB-SG 3.37Å; C1463-C1478 VanDerWaalsContact SG-CA 3.59Å; C1463-C1478 WeakPolarHBondContact SG-CB 3.32Å; C1463-C1478 CovalentContact SG-SG 2.02Å; C1463-C1478 PolarHBondContact SG-SG 2.86Å |
| 1464 | D | 52.9 | Low | 62.7 | Low | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -94.4 | -10.8 | -178.3 | 108.2 | -43.7 | 0 | 0 | 0 | 113.5 | R1466 E1475 | D1464-R1466 VanDerWaalsContact OD1-CB 3.25Å; D1464-R1466 WeakPolarHBondContact OD1-CB 3.41Å; D1464-R1466 PolarHBondContact OD1-N 3.26Å; D1464-R1466 IonicContact OD1-NE 2.85Å; D1464-R1466 PolarHBondContact OD1-NE 3Å; D1464-R1466 IonicContact OD2-CZ 3.76Å; D1464-R1466 IonicContact OD2-NE 3.79Å; D1464-R1466 PolarHBondContact OD2-NE 2.85Å; D1464-R1466 IonicContact OD2-NH2 3.33Å; D1464-R1466 PolarHBondContact OD2-NH2 3.38Å; D1464-E1475 PolarHBondContact N-OE1 2.73Å |
| 1465 | G | 62.5 | Low | 63 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 97.5 | 6.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1475 | G1465-E1475 WeakPolarHBondContact CA-OE2 2.96Å; G1465-E1475 PolarHBondContact N-OE1 2.99Å |
| 1466 | R | 57.2 | Low | 62.9 | Low | 143 Ų | 143 | 74 Ų | 74 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -117.4 | 150.8 | 173.5 | -66.9 | 176.2 | -83 | -166.7 | -1.3 | 111.7 | D1464 D1468 E1475 | D1464-R1466 VanDerWaalsContact OD1-CB 3.25Å; D1464-R1466 WeakPolarHBondContact OD1-CB 3.41Å; D1464-R1466 PolarHBondContact OD1-N 3.26Å; D1464-R1466 IonicContact OD1-NE 2.85Å; D1464-R1466 PolarHBondContact OD1-NE 3Å; D1464-R1466 IonicContact OD2-CZ 3.76Å; D1464-R1466 IonicContact OD2-NE 3.79Å; D1464-R1466 PolarHBondContact OD2-NE 2.85Å; D1464-R1466 IonicContact OD2-NH2 3.33Å; D1464-R1466 PolarHBondContact OD2-NH2 3.38Å; R1466-D1468 PolarHBondContact O-N 3.05Å; R1466-E1475 WeakPolarHBondContact O-CG 3.4Å |
| 1467 | Q | 62.6 | Low | 62.2 | Low | 131 Ų | 131 | 74.4 Ų | 74.4 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | trans | -88.9 | 81.3 | 166.5 | -177.6 | 179.6 | 0.5 | 0 | 0 | 108.5 | C1469 A1472 | Q1467-C1469 WeakPolarHBondContact CG-O 3.29Å; Q1467-C1469 PolarHBondContact NE2-O 2.62Å; Q1467-A1472 HydrophobicContact CG-CB 4.09Å | ||
| 1468 | D | 57.5 | Low | 61.7 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | trans | -83.9 | -25.5 | 170.7 | -67.3 | -27.1 | 0 | 0 | 0 | 110.3 | I1457 M1461 R1466 D1474 | I1457-D1468 HydrophobicContact CD1-CB 4.48Å; I1457-D1468 HydrophobicContact CG2-CB 4.27Å; M1461-D1468 HydrophobicContact CE-CB 4.13Å; M1461-D1468 WeakPolarHBondContact CE-OD2 3.33Å; R1466-D1468 PolarHBondContact O-N 3.05Å; D1468-D1474 WeakPolarHBondContact CA-OD2 3.45Å; D1468-D1474 PolarHBondContact N-OD2 3.2Å | ||
| 1469 | C | 68 | Low | 61.1 | Low | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -78.1 | 127.4 | 168.8 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | C1451 Q1467 D1471 A1472 D1474 | C1451-C1469 VanDerWaalsContact CA-SG 3.52Å; C1451-C1469 HydrophobicContact CB-CB 3.64Å; C1451-C1469 WeakPolarHBondContact CB-SG 3.33Å; C1451-C1469 WeakPolarHBondContact SG-CA 3.38Å; C1451-C1469 WeakPolarHBondContact SG-CB 3.13Å; C1451-C1469 CovalentContact SG-SG 2.02Å; C1451-C1469 PolarHBondContact SG-SG 2.85Å; Q1467-C1469 WeakPolarHBondContact CG-O 3.29Å; Q1467-C1469 PolarHBondContact NE2-O 2.62Å; C1469-D1471 PolarHBondContact O-N 3.43Å; C1469-A1472 PolarHBondContact O-N 3.03Å; C1469-D1474 HydrophobicContact CB-CB 4.21Å; C1469-D1474 WeakPolarHBondContact CB-OD1 3.23Å; C1469-D1474 PolarHBondContact N-OD2 2.88Å; C1469-D1474 VanDerWaalsContact SG-CB 3.53Å; C1469-D1474 VanDerWaalsContact SG-CG 3.54Å; C1469-D1474 PolarHBondContact SG-N 2.89Å; C1469-D1474 VanDerWaalsContact SG-N 3.41Å |
| 1470 | R | 64.9 | Low | 60.2 | Low | 199 Ų | 199 | 72.5 Ų | 72.5 | 75% | 0.751 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.6 | 175.7 | -125.6 | -170.7 | -164.7 | 115.8 | -4.2 | 115.5 | S1453 E1455 | S1453-R1470 PolarHBondContact OG-N 3.25Å; E1455-R1470 WeakPolarHBondContact OE1-CD 2.94Å; E1455-R1470 IonicContact OE1-CZ 3.53Å; E1455-R1470 IonicContact OE1-NE 2.65Å; E1455-R1470 IonicContact OE1-NH1 3.68Å; E1455-R1470 PolarHBondContact OE1-NH1 3.41Å |
| 1471 | D | 62.2 | Low | 59.6 | Low | 98 Ų | 98 | 74.6 Ų | 74.6 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 25.6 | 176.2 | -169 | 45.7 | 0 | 0 | 0 | 112 | S1452 C1469 S1473 | S1452-D1471 PolarHBondContact OG-OD2 2.92Å; C1469-D1471 PolarHBondContact O-N 3.43Å; D1471-S1473 PolarHBondContact O-N 3.24Å; D1471-S1473 PolarHBondContact O-OG 3.45Å |
| 1472 | A | 61.8 | Low | 59 | Low | 34 Ų | 34 | 72.8 Ų | 72.8 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 54.7 | 21.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1467 C1469 D1474 E1475 T1476 | Q1467-A1472 HydrophobicContact CG-CB 4.09Å; C1469-A1472 PolarHBondContact O-N 3.03Å; A1472-D1474 PolarHBondContact O-N 3.38Å; A1472-E1475 PolarHBondContact O-N 3.08Å; A1472-T1476 WeakPolarHBondContact O-CG2 3.39Å; A1472-T1476 PolarHBondContact O-N 2.97Å |
| 1473 | S | 67.7 | Low | 58.8 | Low | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -24.9 | -166.7 | -16 | 0 | 0 | 0 | 0 | 114.1 | Y1449 S1452 D1471 E1475 T1476 | Y1449-S1473 PolarHBondContact OH-O 2.85Å; S1452-S1473 VanDerWaalsContact N-CB 3.26Å; S1452-S1473 PolarHBondContact N-OG 2.86Å; S1452-S1473 VanDerWaalsContact OG-CB 3.31Å; S1452-S1473 WeakPolarHBondContact OG-CB 3.35Å; S1452-S1473 PolarHBondContact OG-OG 3.37Å; D1471-S1473 PolarHBondContact O-N 3.24Å; D1471-S1473 PolarHBondContact O-OG 3.45Å; S1473-E1475 VanDerWaalsContact C-N 3.31Å; S1473-T1476 WeakPolarHBondContact CA-OG1 3.48Å; S1473-T1476 PolarHBondContact O-N 2.9Å; S1473-T1476 PolarHBondContact O-OG1 3.01Å |
| 1474 | D | 68.6 | Low | 57.8 | Low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.7 | 170.3 | 42.8 | 1.8 | 0 | 0 | 0 | 113.1 | Y1449 I1457 C1463 D1468 C1469 A1472 C1478 | Y1449-D1474 HydrophobicContact CD1-CB 4.47Å; Y1449-D1474 HydrophobicContact CE1-CB 4.28Å; I1457-D1474 HydrophobicContact CD1-CB 3.68Å; C1463-D1474 PolarHBondContact N-O 3.1Å; C1463-D1474 VanDerWaalsContact N-O 3.14Å; D1468-D1474 WeakPolarHBondContact CA-OD2 3.45Å; D1468-D1474 PolarHBondContact N-OD2 3.2Å; C1469-D1474 HydrophobicContact CB-CB 4.21Å; C1469-D1474 WeakPolarHBondContact CB-OD1 3.23Å; C1469-D1474 PolarHBondContact N-OD2 2.88Å; C1469-D1474 VanDerWaalsContact SG-CB 3.53Å; C1469-D1474 VanDerWaalsContact SG-CG 3.54Å; C1469-D1474 PolarHBondContact SG-N 2.89Å; C1469-D1474 VanDerWaalsContact SG-N 3.41Å; A1472-D1474 PolarHBondContact O-N 3.38Å; D1474-C1478 PolarHBondContact O-SG 3.09Å |
| 1475 | E | 67.3 | Low | 57.7 | Low | 78 Ų | 78 | 81.7 Ų | 81.7 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.2 | 178.4 | -66.6 | -75 | 104.4 | 0 | 0 | 112.2 | C1463 D1464 G1465 R1466 A1472 S1473 | C1463-E1475 WeakPolarHBondContact CA-OE1 3.29Å; D1464-E1475 PolarHBondContact N-OE1 2.73Å; G1465-E1475 WeakPolarHBondContact CA-OE2 2.96Å; G1465-E1475 PolarHBondContact N-OE1 2.99Å; R1466-E1475 WeakPolarHBondContact O-CG 3.4Å; A1472-E1475 PolarHBondContact O-N 3.08Å; S1473-E1475 VanDerWaalsContact C-N 3.31Å |
| 1476 | T | 60.1 | Low | 58.1 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 133 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | A1472 S1473 C1478 | A1472-T1476 WeakPolarHBondContact O-CG2 3.39Å; A1472-T1476 PolarHBondContact O-N 2.97Å; S1473-T1476 WeakPolarHBondContact CA-OG1 3.48Å; S1473-T1476 PolarHBondContact O-N 2.9Å; S1473-T1476 PolarHBondContact O-OG1 3.01Å; T1476-C1478 PolarHBondContact O-N 3.25Å |
| 1477 | G | 54.2 | Low | 58.6 | Low | 72 Ų | 72 | 77.3 Ų | 77.3 | 74% | 0.742 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1478 | C | 56.5 | Low | 59.2 | Low | 34 Ų | 34 | 74.8 Ų | 74.8 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | trans | -71.9 | 130.1 | 171.3 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | C1463 D1474 T1476 | C1463-C1478 WeakPolarHBondContact CA-SG 3.46Å; C1463-C1478 HydrophobicContact CB-CB 3.64Å; C1463-C1478 WeakPolarHBondContact CB-SG 3.37Å; C1463-C1478 VanDerWaalsContact SG-CA 3.59Å; C1463-C1478 WeakPolarHBondContact SG-CB 3.32Å; C1463-C1478 CovalentContact SG-SG 2.02Å; C1463-C1478 PolarHBondContact SG-SG 2.86Å; D1474-C1478 PolarHBondContact O-SG 3.09Å; T1476-C1478 PolarHBondContact O-N 3.25Å | ||
| 1479 | P | 46.3 | Very low | 59.7 | Low | 77 Ų | 77 | 72.3 Ų | 72.3 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | trans | -61.2 | 140 | 158.9 | -15.6 | 30 | 0 | 0 | 0 | 108.6 | R1481 | P1479-R1481 PolarHBondContact O-N 2.91Š| ||
| 1480 | P | 46.8 | Very low | 59.4 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | trans | -62.6 | 100.3 | 175.6 | 25.3 | -33.5 | 0 | 0 | 0 | 109.9 | ||||
| 1481 | R | 47.4 | Very low | 59.3 | Low | 194 Ų | 194 | 69.5 Ų | 69.5 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | trans | -98.9 | 90.1 | -176.8 | -82.2 | -179.2 | 167.6 | -176.2 | -5.3 | 110.6 | P1479 | P1479-R1481 PolarHBondContact O-N 2.91Š| ||
| 1482 | C | 50.7 | Low | 59.4 | Low | 23 Ų | 23 | 66.9 Ų | 66.9 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 144.8 | 150.3 | -41.7 | 0 | 0 | 0 | 0 | 108.2 | Q1486 Q1488 C1494 | C1482-Q1486 HydrophobicContact CB-CB 3.6Å; C1482-Q1488 VanDerWaalsContact SG-CB 3.54Å; C1482-C1494 WeakPolarHBondContact CA-SG 3.17Å; C1482-C1494 HydrophobicContact CB-CB 3.68Å; C1482-C1494 WeakPolarHBondContact CB-SG 3.07Å; C1482-C1494 PolarHBondContact N-SG 2.85Å; C1482-C1494 VanDerWaalsContact N-SG 3.42Å; C1482-C1494 WeakPolarHBondContact SG-CB 3.35Å; C1482-C1494 CovalentContact SG-SG 2.04Å; C1482-C1494 PolarHBondContact SG-SG 2.74Å |
| 1483 | R | 51.9 | Low | 59.5 | Low | 171 Ų | 171 | 69.3 Ų | 69.3 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 157.4 | -178.5 | -68.6 | -178.4 | 170.2 | 76.6 | 5.8 | 110.8 | G1485 Q1486 | R1483-G1485 PolarHBondContact O-N 3.09Å; R1483-G1485 VanDerWaalsContact O-N 3.13Å; R1483-Q1486 HydrophobicContact CB-CG 4.14Å; R1483-Q1486 WeakPolarHBondContact O-CA 3.37Å; R1483-Q1486 VanDerWaalsContact O-CB 3.29Å; R1483-Q1486 WeakPolarHBondContact O-CB 3.46Å; R1483-Q1486 PolarHBondContact O-N 2.92Å |
| 1484 | P | 46.4 | Very low | 59.7 | Low | 141 Ų | 141 | 72.1 Ų | 72.1 | 92% | 0.916 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 121.3 | 167.6 | -23.1 | 34.2 | 0 | 0 | 0 | 109.5 | ||
| 1485 | G | 50.7 | Low | 59.6 | Low | 38 Ų | 38 | 73 Ų | 73 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | 6.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1483 Q1497 | R1483-G1485 PolarHBondContact O-N 3.09Å; R1483-G1485 VanDerWaalsContact O-N 3.13Å; G1485-Q1497 WeakPolarHBondContact O-CB 3.35Å; G1485-Q1497 PolarHBondContact O-N 2.87Å |
| 1486 | Q | 71.7 | Confident | 59.3 | Low | 53 Ų | 53 | 73 Ų | 73 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.2 | 176.9 | -58.3 | -173.1 | -33.1 | 0 | 0 | 111.5 | C1482 R1483 I1495 E1496 | C1482-Q1486 HydrophobicContact CB-CB 3.6Å; R1483-Q1486 HydrophobicContact CB-CG 4.14Å; R1483-Q1486 WeakPolarHBondContact O-CA 3.37Å; R1483-Q1486 VanDerWaalsContact O-CB 3.29Å; R1483-Q1486 WeakPolarHBondContact O-CB 3.46Å; R1483-Q1486 PolarHBondContact O-N 2.92Å; Q1486-I1495 CarbonylContact C-O 3.39Å; Q1486-I1495 VanDerWaalsContact CA-O 3.23Å; Q1486-I1495 WeakPolarHBondContact CA-O 3.49Å; Q1486-I1495 VanDerWaalsContact CB-O 3.31Å; Q1486-I1495 WeakPolarHBondContact CB-O 3.32Å; Q1486-E1496 WeakPolarHBondContact CG-OE1 3.17Å; Q1486-E1496 PolarHBondContact NE2-OE1 3.42Å |
| 1487 | Y | 68.4 | Low | 59.6 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147.2 | 179.6 | 175.3 | -111.3 | 0 | 0 | 0 | 111.7 | C1494 I1495 R1500 S1511 D1512 | Y1487-C1494 WeakPolarHBondContact O-CA 3.29Å; Y1487-I1495 HydrophobicContact CD1-CD1 4.04Å; Y1487-I1495 HydrophobicContact CD1-CG1 4.07Å; Y1487-I1495 PolarHBondContact N-O 3.02Å; Y1487-I1495 PolarHBondContact O-N 2.82Å; Y1487-R1500 HydrophobicContact CD1-CB 4.09Å; Y1487-R1500 HydrophobicContact CD1-CG 3.9Å; Y1487-R1500 HydrophobicContact CD2-CG 4.38Å; Y1487-R1500 HydrophobicContact CE1-CG 4.02Å; Y1487-R1500 HydrophobicContact CE2-CG 4.49Å; Y1487-R1500 HydrophobicContact CG-CB 4.18Å; Y1487-R1500 HydrophobicContact CG-CG 4.07Å; Y1487-S1511 PolarHBondContact OH-O 3.22Å; Y1487-D1512 HydrophobicContact CE1-CB 4.47Å |
| 1488 | Q | 73.5 | Confident | 60 | Low | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.9 | 178.8 | -163 | -167.7 | -13.6 | 0 | 0 | 111.4 | C1482 | C1482-Q1488 VanDerWaalsContact SG-CB 3.54Å |
| 1489 | C | 68.3 | Low | 60.4 | Low | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.014 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 150.8 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | S1491 G1492 E1493 C1507 | C1489-S1491 WeakPolarHBondContact CB-OG 3.27Å; C1489-S1491 PolarHBondContact O-N 2.88Å; C1489-G1492 PolarHBondContact O-N 2.8Å; C1489-E1493 HydrophobicContact CB-CB 4.16Å; C1489-E1493 WeakPolarHBondContact CB-O 3.26Å; C1489-E1493 PolarHBondContact N-O 2.98Å; C1489-C1507 VanDerWaalsContact CA-SG 3.58Å; C1489-C1507 HydrophobicContact CB-CB 3.71Å; C1489-C1507 WeakPolarHBondContact CB-SG 3.36Å; C1489-C1507 WeakPolarHBondContact SG-CA 3.26Å; C1489-C1507 WeakPolarHBondContact SG-CB 3.24Å; C1489-C1507 CovalentContact SG-SG 2.03Å; C1489-C1507 PolarHBondContact SG-SG 2.77Å |
| 1490 | S | 61.7 | Low | 60.7 | Low | 94 Ų | 94 | 81.1 Ų | 81.1 | 66% | 0.657 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.8 | 171.1 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | G1492 S1511 | S1490-G1492 PolarHBondContact O-N 2.94Å; S1490-S1511 WeakPolarHBondContact CB-OG 3.49Å; S1490-S1511 PolarHBondContact N-OG 3.07Å; S1490-S1511 VanDerWaalsContact N-OG 3.13Å; S1490-S1511 WeakPolarHBondContact OG-CB 3.36Å; S1490-S1511 PolarHBondContact OG-OG 3.25Å; S1490-S1511 VanDerWaalsContact OG-OG 3.13Å |
| 1491 | S | 64.2 | Low | 61.8 | Low | 48 Ų | 48 | 78.5 Ų | 78.5 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -3.8 | 172.7 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | C1489 | C1489-S1491 WeakPolarHBondContact CB-OG 3.27Å; C1489-S1491 PolarHBondContact O-N 2.88Å |
| 1492 | G | 64.1 | Low | 62.1 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 92.7 | -5.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C1489 S1490 | C1489-G1492 PolarHBondContact O-N 2.8Å; S1490-G1492 PolarHBondContact O-N 2.94Å |
| 1493 | E | 63.7 | Low | 62.6 | Low | 85 Ų | 85 | 72.4 Ų | 72.4 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | trans | -72.7 | 152.8 | 175.9 | -43.8 | -76.5 | -174.7 | 0 | 0 | 110.7 | C1489 R1508 | C1489-E1493 HydrophobicContact CB-CB 4.16Å; C1489-E1493 WeakPolarHBondContact CB-O 3.26Å; C1489-E1493 PolarHBondContact N-O 2.98Å; E1493-R1508 IonicContact OE1-NH1 3.53Å | ||
| 1494 | C | 70.4 | Confident | 62.8 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.4 | 172.5 | -74.4 | 0 | 0 | 0 | 0 | 110.5 | C1482 Y1487 | C1482-C1494 WeakPolarHBondContact CA-SG 3.17Å; C1482-C1494 HydrophobicContact CB-CB 3.68Å; C1482-C1494 WeakPolarHBondContact CB-SG 3.07Å; C1482-C1494 PolarHBondContact N-SG 2.85Å; C1482-C1494 VanDerWaalsContact N-SG 3.42Å; C1482-C1494 WeakPolarHBondContact SG-CB 3.35Å; C1482-C1494 CovalentContact SG-SG 2.04Å; C1482-C1494 PolarHBondContact SG-SG 2.74Å; Y1487-C1494 WeakPolarHBondContact O-CA 3.29Å |
| 1495 | I | 66.6 | Low | 63.6 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 158.6 | 177.7 | 66.5 | 179.2 | 0 | 0 | 0 | 110.3 | Q1486 Y1487 M1499 D1506 D1512 | Q1486-I1495 CarbonylContact C-O 3.39Å; Q1486-I1495 VanDerWaalsContact CA-O 3.23Å; Q1486-I1495 WeakPolarHBondContact CA-O 3.49Å; Q1486-I1495 VanDerWaalsContact CB-O 3.31Å; Q1486-I1495 WeakPolarHBondContact CB-O 3.32Å; Y1487-I1495 HydrophobicContact CD1-CD1 4.04Å; Y1487-I1495 HydrophobicContact CD1-CG1 4.07Å; Y1487-I1495 PolarHBondContact N-O 3.02Å; Y1487-I1495 PolarHBondContact O-N 2.82Å; I1495-M1499 HydrophobicContact CB-CB 4.03Å; I1495-M1499 HydrophobicContact CB-CG 4.45Å; I1495-M1499 HydrophobicContact CD1-CB 3.78Å; I1495-M1499 HydrophobicContact CG1-CB 4.04Å; I1495-D1506 HydrophobicContact CG2-CB 4.46Å; I1495-D1512 HydrophobicContact CD1-CB 3.84Å |
| 1496 | E | 61.4 | Low | 64.3 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 146.7 | 172.7 | -71.1 | -82.9 | 114.4 | 0 | 0 | 111.2 | Q1486 Q1498 M1499 | Q1486-E1496 WeakPolarHBondContact CG-OE1 3.17Å; Q1486-E1496 PolarHBondContact NE2-OE1 3.42Å; E1496-Q1498 HydrophobicContact CB-CG 3.53Å; E1496-Q1498 HydrophobicContact CG-CG 4.48Å; E1496-Q1498 PolarHBondContact O-N 3.32Å; E1496-Q1498 VanDerWaalsContact O-N 3.13Å; E1496-Q1498 PolarHBondContact OE2-NE2 2.76Å; E1496-M1499 HydrophobicContact CB-CG 3.75Å; E1496-M1499 WeakPolarHBondContact O-CA 3.25Å; E1496-M1499 VanDerWaalsContact O-CB 3.26Å; E1496-M1499 WeakPolarHBondContact O-CB 3.31Å; E1496-M1499 PolarHBondContact O-N 3.08Å |
| 1497 | Q | 66.3 | Low | 64.3 | Low | 118 Ų | 118 | 69.8 Ų | 69.8 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.7 | -175.8 | -171.3 | 164.8 | -6.4 | 0 | 0 | 113.1 | G1485 | G1485-Q1497 WeakPolarHBondContact O-CB 3.35Å; G1485-Q1497 PolarHBondContact O-N 2.87Å |
| 1498 | Q | 62.1 | Low | 64.2 | Low | 142 Ų | 142 | 76.7 Ų | 76.7 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -71.1 | -23.7 | 166.5 | 42.5 | 174.5 | -24.7 | 0 | 0 | 114.1 | E1496 R1500 | E1496-Q1498 HydrophobicContact CB-CG 3.53Å; E1496-Q1498 HydrophobicContact CG-CG 4.48Å; E1496-Q1498 PolarHBondContact O-N 3.32Å; E1496-Q1498 VanDerWaalsContact O-N 3.13Å; E1496-Q1498 PolarHBondContact OE2-NE2 2.76Å; Q1498-R1500 VanDerWaalsContact C-N 3.29Å |
| 1499 | M | 65.2 | Low | 63.6 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -83.5 | -6 | 177.1 | -52.4 | -95.6 | -74.8 | 0 | 0 | 111.9 | I1495 E1496 D1502 D1506 | I1495-M1499 HydrophobicContact CB-CB 4.03Å; I1495-M1499 HydrophobicContact CB-CG 4.45Å; I1495-M1499 HydrophobicContact CD1-CB 3.78Å; I1495-M1499 HydrophobicContact CG1-CB 4.04Å; E1496-M1499 HydrophobicContact CB-CG 3.75Å; E1496-M1499 WeakPolarHBondContact O-CA 3.25Å; E1496-M1499 VanDerWaalsContact O-CB 3.26Å; E1496-M1499 WeakPolarHBondContact O-CB 3.31Å; E1496-M1499 PolarHBondContact O-N 3.08Å; M1499-D1502 WeakPolarHBondContact O-CB 3.36Å; M1499-D1506 HydrophobicContact CE-CB 4.09Å; M1499-D1506 WeakPolarHBondContact CE-OD2 3.44Å |
| 1500 | R | 53.9 | Low | 63.2 | Low | 110 Ų | 110 | 79.2 Ų | 79.2 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 130.6 | 173.4 | -171.2 | -172.3 | -179.4 | -139.6 | -4.4 | 109.7 | Y1487 Q1498 D1502 | Y1487-R1500 HydrophobicContact CD1-CB 4.09Å; Y1487-R1500 HydrophobicContact CD1-CG 3.9Å; Y1487-R1500 HydrophobicContact CD2-CG 4.38Å; Y1487-R1500 HydrophobicContact CE1-CG 4.02Å; Y1487-R1500 HydrophobicContact CE2-CG 4.49Å; Y1487-R1500 HydrophobicContact CG-CB 4.18Å; Y1487-R1500 HydrophobicContact CG-CG 4.07Å; Q1498-R1500 VanDerWaalsContact C-N 3.29Å; R1500-D1502 PolarHBondContact O-N 3.39Å |
| 1501 | C | 69 | Low | 63.5 | Low | 28 Ų | 28 | 74.8 Ų | 74.8 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.3 | -173.8 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | G1503 D1512 E1513 C1516 R1519 | C1501-G1503 VanDerWaalsContact C-N 3.29Å; C1501-G1503 PolarHBondContact O-N 2.66Å; C1501-D1512 PolarHBondContact N-O 3.46Å; C1501-E1513 WeakPolarHBondContact CA-OE1 3.42Å; C1501-C1516 WeakPolarHBondContact CA-SG 2.93Å; C1501-C1516 HydrophobicContact CB-CB 3.77Å; C1501-C1516 WeakPolarHBondContact CB-SG 3.22Å; C1501-C1516 WeakPolarHBondContact SG-CB 3.38Å; C1501-C1516 CovalentContact SG-SG 2.03Å; C1501-C1516 PolarHBondContact SG-SG 2.76Å; C1501-R1519 PolarHBondContact O-NE 2.83Å; C1501-R1519 VanDerWaalsContact O-NE 3.1Å; C1501-R1519 PolarHBondContact O-NH1 2.85Å; C1501-R1519 PolarHBondContact O-NH2 2.8Å |
| 1502 | D | 52.9 | Low | 63.8 | Low | 31 Ų | 31 | 72.5 Ų | 72.5 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -65.8 | -27.7 | -174.8 | 151.4 | -74.7 | 0 | 0 | 0 | 113.3 | M1499 R1500 R1504 E1513 R1519 | M1499-D1502 WeakPolarHBondContact O-CB 3.36Å; R1500-D1502 PolarHBondContact O-N 3.39Å; D1502-R1504 WeakPolarHBondContact OD1-CB 3.44Å; D1502-R1504 WeakPolarHBondContact OD1-CG 3.36Å; D1502-R1504 IonicContact OD1-CZ 3.45Å; D1502-R1504 PolarHBondContact OD1-N 3.09Å; D1502-R1504 IonicContact OD1-NE 3.4Å; D1502-R1504 PolarHBondContact OD1-NE 2.68Å; D1502-R1504 IonicContact OD1-NH2 2.68Å; D1502-R1504 IonicContact OD2-CZ 3.19Å; D1502-R1504 IonicContact OD2-NE 3.47Å; D1502-R1504 PolarHBondContact OD2-NE 2.75Å; D1502-R1504 IonicContact OD2-NH2 2.87Å; D1502-R1504 PolarHBondContact OD2-NH2 2.83Å; D1502-E1513 PolarHBondContact N-OE1 2.81Å; D1502-E1513 VanDerWaalsContact N-OE1 3.09Å; D1502-R1519 PolarHBondContact O-NH1 2.78Å |
| 1503 | G | 61.7 | Low | 64 | Low | 59 Ų | 59 | 74 Ų | 74 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 103.4 | 3.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1501 E1513 | C1501-G1503 VanDerWaalsContact C-N 3.29Å; C1501-G1503 PolarHBondContact O-N 2.66Å; G1503-E1513 WeakPolarHBondContact CA-OE2 2.97Å; G1503-E1513 PolarHBondContact N-OE1 2.82Å |
| 1504 | R | 56.1 | Low | 63.8 | Low | 154 Ų | 154 | 74.2 Ų | 74.2 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -121.9 | 152.8 | 172.3 | -71.5 | 169.8 | -86.9 | -137.5 | -4.3 | 110.7 | D1502 D1506 E1513 | D1502-R1504 WeakPolarHBondContact OD1-CB 3.44Å; D1502-R1504 WeakPolarHBondContact OD1-CG 3.36Å; D1502-R1504 IonicContact OD1-CZ 3.45Å; D1502-R1504 PolarHBondContact OD1-N 3.09Å; D1502-R1504 IonicContact OD1-NE 3.4Å; D1502-R1504 PolarHBondContact OD1-NE 2.68Å; D1502-R1504 IonicContact OD1-NH2 2.68Å; D1502-R1504 IonicContact OD2-CZ 3.19Å; D1502-R1504 IonicContact OD2-NE 3.47Å; D1502-R1504 PolarHBondContact OD2-NE 2.75Å; D1502-R1504 IonicContact OD2-NH2 2.87Å; D1502-R1504 PolarHBondContact OD2-NH2 2.83Å; R1504-D1506 PolarHBondContact O-N 3.35Å; R1504-E1513 WeakPolarHBondContact O-CG 3.41Å |
| 1505 | Q | 63.6 | Low | 62.9 | Low | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | trans | -91.7 | 80.1 | 172.1 | -171.2 | -166.9 | -13.3 | 0 | 0 | 109.3 | C1507 A1510 | Q1505-C1507 WeakPolarHBondContact CG-O 3.29Å; Q1505-C1507 PolarHBondContact NE2-O 2.89Å; Q1505-A1510 HydrophobicContact CG-CB 3.95Å | ||
| 1506 | D | 64.6 | Low | 62.4 | Low | 62 Ų | 62 | 76.2 Ų | 76.2 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | trans | -83.9 | -30.2 | 175.6 | -66 | -37 | 0 | 0 | 0 | 111 | I1495 M1499 R1504 D1512 | I1495-D1506 HydrophobicContact CG2-CB 4.46Å; M1499-D1506 HydrophobicContact CE-CB 4.09Å; M1499-D1506 WeakPolarHBondContact CE-OD2 3.44Å; R1504-D1506 PolarHBondContact O-N 3.35Å; D1506-D1512 WeakPolarHBondContact CA-OD2 3.42Å; D1506-D1512 PolarHBondContact N-OD2 2.01Å | ||
| 1507 | C | 72.2 | Confident | 61.5 | Low | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.007 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -72.3 | 126.7 | 167 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | C1489 Q1505 D1509 A1510 D1512 | C1489-C1507 VanDerWaalsContact CA-SG 3.58Å; C1489-C1507 HydrophobicContact CB-CB 3.71Å; C1489-C1507 WeakPolarHBondContact CB-SG 3.36Å; C1489-C1507 WeakPolarHBondContact SG-CA 3.26Å; C1489-C1507 WeakPolarHBondContact SG-CB 3.24Å; C1489-C1507 CovalentContact SG-SG 2.03Å; C1489-C1507 PolarHBondContact SG-SG 2.77Å; Q1505-C1507 WeakPolarHBondContact CG-O 3.29Å; Q1505-C1507 PolarHBondContact NE2-O 2.89Å; C1507-D1509 PolarHBondContact O-N 2.56Å; C1507-A1510 PolarHBondContact O-N 2.91Å; C1507-D1512 HydrophobicContact CB-CB 4.18Å; C1507-D1512 WeakPolarHBondContact CB-OD1 3.39Å; C1507-D1512 PolarHBondContact N-OD2 3.06Å; C1507-D1512 VanDerWaalsContact SG-CB 3.57Å; C1507-D1512 PolarHBondContact SG-N 3.07Å |
| 1508 | R | 66.7 | Low | 60.1 | Low | 201 Ų | 201 | 86.7 Ų | 86.7 | 76% | 0.758 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.8 | 178.5 | -146.5 | 174.4 | -166.7 | 153.2 | 0.7 | 114.8 | E1493 | E1493-R1508 IonicContact OE1-NH1 3.53Š|
| 1509 | D | 61.5 | Low | 59.1 | Low | 102 Ų | 102 | 86.8 Ų | 86.8 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 27.6 | 175.3 | -169 | 47.1 | 0 | 0 | 0 | 112.3 | C1507 S1511 | C1507-D1509 PolarHBondContact O-N 2.56Å; D1509-S1511 PolarHBondContact O-N 3.17Å; D1509-S1511 PolarHBondContact O-OG 3.4Å; D1509-S1511 VanDerWaalsContact O-OG 3.07Å |
| 1510 | A | 59.8 | Low | 58.3 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 51.5 | 25.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1505 C1507 D1512 E1513 T1514 | Q1505-A1510 HydrophobicContact CG-CB 3.95Å; C1507-A1510 PolarHBondContact O-N 2.91Å; A1510-D1512 VanDerWaalsContact C-N 3.29Å; A1510-D1512 WeakPolarHBondContact CA-OD1 3.37Å; A1510-D1512 PolarHBondContact O-N 3.12Å; A1510-E1513 PolarHBondContact O-N 3Å; A1510-T1514 WeakPolarHBondContact O-CG2 3.42Å; A1510-T1514 PolarHBondContact O-N 2.66Å; A1510-T1514 PolarHBondContact O-OG1 3.04Å; A1510-T1514 VanDerWaalsContact O-OG1 3.09Å |
| 1511 | S | 68.3 | Low | 58.6 | Low | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.014 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.1 | -169.4 | -33.7 | 0 | 0 | 0 | 0 | 114 | Y1487 S1490 D1509 T1514 | Y1487-S1511 PolarHBondContact OH-O 3.22Å; S1490-S1511 WeakPolarHBondContact CB-OG 3.49Å; S1490-S1511 PolarHBondContact N-OG 3.07Å; S1490-S1511 VanDerWaalsContact N-OG 3.13Å; S1490-S1511 WeakPolarHBondContact OG-CB 3.36Å; S1490-S1511 PolarHBondContact OG-OG 3.25Å; S1490-S1511 VanDerWaalsContact OG-OG 3.13Å; D1509-S1511 PolarHBondContact O-N 3.17Å; D1509-S1511 PolarHBondContact O-OG 3.4Å; D1509-S1511 VanDerWaalsContact O-OG 3.07Å; S1511-T1514 WeakPolarHBondContact CA-OG1 3.39Å |
| 1512 | D | 70.1 | Confident | 58.9 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -41.8 | 171 | 43.6 | 0.3 | 0 | 0 | 0 | 112.7 | Y1487 I1495 C1501 D1506 C1507 A1510 C1516 | Y1487-D1512 HydrophobicContact CE1-CB 4.47Å; I1495-D1512 HydrophobicContact CD1-CB 3.84Å; C1501-D1512 PolarHBondContact N-O 3.46Å; D1506-D1512 WeakPolarHBondContact CA-OD2 3.42Å; D1506-D1512 PolarHBondContact N-OD2 2.01Å; C1507-D1512 HydrophobicContact CB-CB 4.18Å; C1507-D1512 WeakPolarHBondContact CB-OD1 3.39Å; C1507-D1512 PolarHBondContact N-OD2 3.06Å; C1507-D1512 VanDerWaalsContact SG-CB 3.57Å; C1507-D1512 PolarHBondContact SG-N 3.07Å; A1510-D1512 VanDerWaalsContact C-N 3.29Å; A1510-D1512 WeakPolarHBondContact CA-OD1 3.37Å; A1510-D1512 PolarHBondContact O-N 3.12Å; D1512-C1516 PolarHBondContact O-SG 3.27Å |
| 1513 | E | 67.1 | Low | 60.4 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 34% | 0.341 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -11.7 | -176.3 | -67.6 | -75 | 104.5 | 0 | 0 | 113 | C1501 D1502 G1503 R1504 A1510 C1516 | C1501-E1513 WeakPolarHBondContact CA-OE1 3.42Å; D1502-E1513 PolarHBondContact N-OE1 2.81Å; D1502-E1513 VanDerWaalsContact N-OE1 3.09Å; G1503-E1513 WeakPolarHBondContact CA-OE2 2.97Å; G1503-E1513 PolarHBondContact N-OE1 2.82Å; R1504-E1513 WeakPolarHBondContact O-CG 3.41Å; A1510-E1513 PolarHBondContact O-N 3Å; E1513-C1516 VanDerWaalsContact C-SG 3.56Å; E1513-C1516 PolarHBondContact O-SG 3.45Å; E1513-C1516 VanDerWaalsContact O-SG 3.39Å |
| 1514 | T | 59.8 | Low | 61.4 | Low | 91 Ų | 91 | 86.8 Ų | 86.8 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 127 | 178.7 | 42.3 | 0 | 0 | 0 | 0 | 112.6 | A1510 S1511 | A1510-T1514 WeakPolarHBondContact O-CG2 3.42Å; A1510-T1514 PolarHBondContact O-N 2.66Å; A1510-T1514 PolarHBondContact O-OG1 3.04Å; A1510-T1514 VanDerWaalsContact O-OG1 3.09Å; S1511-T1514 WeakPolarHBondContact CA-OG1 3.39Å |
| 1515 | G | 51.9 | Low | 62.4 | Low | 77 Ų | 77 | 82.5 Ų | 82.5 | 79% | 0.794 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | 5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R1517 | G1515-R1517 PolarHBondContact O-N 2.87Š|
| 1516 | C | 56.4 | Low | 63.3 | Low | 44 Ų | 44 | 78.8 Ų | 78.8 | 30% | 0.297 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 120.5 | 169.9 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | C1501 D1512 E1513 | C1501-C1516 WeakPolarHBondContact CA-SG 2.93Å; C1501-C1516 HydrophobicContact CB-CB 3.77Å; C1501-C1516 WeakPolarHBondContact CB-SG 3.22Å; C1501-C1516 WeakPolarHBondContact SG-CB 3.38Å; C1501-C1516 CovalentContact SG-SG 2.03Å; C1501-C1516 PolarHBondContact SG-SG 2.76Å; D1512-C1516 PolarHBondContact O-SG 3.27Å; E1513-C1516 VanDerWaalsContact C-SG 3.56Å; E1513-C1516 PolarHBondContact O-SG 3.45Å; E1513-C1516 VanDerWaalsContact O-SG 3.39Å |
| 1517 | R | 43.1 | Very low | 63.7 | Low | 239 Ų | 239 | 80.7 Ų | 80.7 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 135.5 | 161.9 | -78.1 | -176.3 | 171.4 | 174.8 | -2.6 | 107.8 | G1515 R1519 | G1515-R1517 PolarHBondContact O-N 2.87Å; R1517-R1519 PolarHBondContact O-N 2.95Å |
| 1518 | E | 36.8 | Very low | 64.1 | Low | 177 Ų | 177 | 83.1 Ų | 83.1 | 83% | 0.827 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 129.2 | -170.3 | -66.9 | 168.4 | 116.1 | 0 | 0 | 111 | V1520 | E1518-V1520 PolarHBondContact O-N 2.01Š|
| 1519 | R | 39.9 | Very low | 64.7 | Low | 144 Ų | 144 | 74.1 Ų | 74.1 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | trans | -63.9 | 109.7 | -172.4 | -84.1 | -179.7 | 164 | 172 | -3.9 | 110.5 | C1501 D1502 R1517 N1521 | C1501-R1519 PolarHBondContact O-NE 2.83Å; C1501-R1519 VanDerWaalsContact O-NE 3.1Å; C1501-R1519 PolarHBondContact O-NH1 2.85Å; C1501-R1519 PolarHBondContact O-NH2 2.8Å; D1502-R1519 PolarHBondContact O-NH1 2.78Å; R1517-R1519 PolarHBondContact O-N 2.95Å; R1519-N1521 PolarHBondContact O-N 3.46Å | ||
| 1520 | V | 48.7 | Very low | 65.6 | Low | 36 Ų | 36 | 77.7 Ų | 77.7 | 22% | 0.218 | 39% | 0.394 | C | S | . | . | trans | -81.1 | 101.1 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | E1518 V1543 L1544 A1546 F1597 | E1518-V1520 PolarHBondContact O-N 2.01Å; V1520-V1543 HydrophobicContact CG1-CG1 3.46Å; V1520-V1543 VanDerWaalsContact CG1-CG1 3.46Å; V1520-L1544 CarbonylContact C-O 3.58Å; V1520-L1544 WeakPolarHBondContact CA-O 3.24Å; V1520-A1546 HydrophobicContact CB-CB 4.34Å; V1520-A1546 HydrophobicContact CG1-CB 3.84Å; V1520-A1546 HydrophobicContact CG2-CB 3.49Å; V1520-A1546 VanDerWaalsContact CG2-CB 3.49Å; V1520-F1597 HydrophobicContact CB-CE1 4.25Å; V1520-F1597 HydrophobicContact CB-CE2 4.38Å; V1520-F1597 HydrophobicContact CB-CZ 3.65Å; V1520-F1597 HydrophobicContact CG1-CD1 4.47Å; V1520-F1597 HydrophobicContact CG1-CE1 3.62Å; V1520-F1597 HydrophobicContact CG1-CE2 4.05Å; V1520-F1597 HydrophobicContact CG1-CZ 3.38Å | ||
| 1521 | N | 61.3 | Low | 66.4 | Low | 88 Ų | 88 | 76.3 Ų | 76.3 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 155.1 | -176.7 | -100.4 | 43.5 | 0 | 0 | 0 | 111.1 | R1519 L1544 | R1519-N1521 PolarHBondContact O-N 3.46Å; N1521-L1544 PolarHBondContact N-O 3.06Å; N1521-L1544 PolarHBondContact O-N 2.94Å |
| 1522 | I | 75.4 | Confident | 66.9 | Low | 11 Ų | 11 | 78.1 Ų | 78.1 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.8 | 172.2 | -58.8 | 178.5 | 0 | 0 | 0 | 108.2 | V1524 C1541 V1543 C1595 T1596 F1597 P1601 E1603 | I1522-V1524 HydrophobicContact CG2-CG2 4.47Å; I1522-C1541 WeakPolarHBondContact CG2-SG 3.21Å; I1522-V1543 HydrophobicContact CG1-CG2 4.35Å; I1522-C1595 WeakPolarHBondContact CD1-O 3.26Å; I1522-C1595 HydrophobicContact CG2-CB 4.1Å; I1522-T1596 VanDerWaalsContact CD1-CA 3.48Å; I1522-F1597 HydrophobicContact CD1-CD1 3.78Å; I1522-F1597 HydrophobicContact CD1-CE1 4.05Å; I1522-F1597 HydrophobicContact CG1-CD1 3.89Å; I1522-F1597 HydrophobicContact CG1-CE1 3.88Å; I1522-P1601 HydrophobicContact CD1-CG 4.15Å; I1522-P1601 WeakPolarHBondContact CD1-O 3.39Å; I1522-P1601 HydrophobicContact CG1-CG 4.28Å; I1522-E1603 HydrophobicContact CB-CB 4.4Å; I1522-E1603 HydrophobicContact CB-CG 3.67Å; I1522-E1603 HydrophobicContact CG2-CB 4.03Å; I1522-E1603 HydrophobicContact CG2-CG 3.81Å |
| 1523 | R | 82.6 | Confident | 67 | Low | 137 Ų | 137 | 78.6 Ų | 78.6 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 124.2 | 178.6 | 173.9 | -176.2 | 174.4 | -149.7 | -1.3 | 109.3 | V1525 C1541 S1542 L1544 | R1523-V1525 HydrophobicContact CG-CG2 4.18Å; R1523-C1541 CarbonylContact O-C 3.57Å; R1523-C1541 WeakPolarHBondContact O-CA 3.48Å; R1523-S1542 PolarHBondContact N-O 3.18Å; R1523-S1542 PolarHBondContact O-N 2.94Å; R1523-L1544 HydrophobicContact CB-CD1 3.8Å; R1523-L1544 HydrophobicContact CB-CG 4.2Å; R1523-L1544 HydrophobicContact CG-CD1 4.43Å |
| 1524 | V | 84.2 | Confident | 67.4 | Low | 22 Ų | 22 | 76.9 Ų | 76.9 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141 | 175.3 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | I1522 P1526 F1539 E1540 C1541 C1595 E1603 I1605 | I1522-V1524 HydrophobicContact CG2-CG2 4.47Å; V1524-P1526 WeakPolarHBondContact CG1-O 2.96Å; V1524-F1539 HydrophobicContact CG1-CB 4.29Å; V1524-F1539 HydrophobicContact CG1-CD2 3.97Å; V1524-F1539 HydrophobicContact CG1-CG 4.33Å; V1524-E1540 CarbonylContact C-O 3.51Å; V1524-E1540 WeakPolarHBondContact CA-O 3.5Å; V1524-C1541 HydrophobicContact CG2-CB 4.29Å; V1524-C1595 HydrophobicContact CG2-CB 4.43Å; V1524-E1603 HydrophobicContact CG2-CB 4.4Å; V1524-I1605 HydrophobicContact CB-CD1 4.28Å; V1524-I1605 HydrophobicContact CB-CG1 4.25Å; V1524-I1605 HydrophobicContact CG1-CB 4.49Å; V1524-I1605 HydrophobicContact CG1-CD1 3.54Å; V1524-I1605 HydrophobicContact CG1-CG1 3.77Å; V1524-I1605 HydrophobicContact CG1-CG2 3.94Å; V1524-I1605 HydrophobicContact CG2-CD1 3.79Å; V1524-I1605 HydrophobicContact CG2-CG1 3.87Å |
| 1525 | V | 77 | Confident | 68.4 | Low | 64 Ų | 64 | 76.8 Ų | 76.8 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 118 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | R1523 F1539 E1540 | R1523-V1525 HydrophobicContact CG-CG2 4.18Å; V1525-F1539 CarbonylContact O-C 3.6Å; V1525-F1539 WeakPolarHBondContact O-CA 3.45Å; V1525-E1540 PolarHBondContact N-O 3.11Å; V1525-E1540 PolarHBondContact O-N 2.82Å |
| 1526 | P | 81.9 | Confident | 69.7 | Low | 52 Ų | 52 | 80.8 Ų | 80.8 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | S | Bend | cis | -65.8 | 153.1 | -23.4 | 33.5 | -37 | 0 | 0 | 0 | 111.1 | V1524 I1529 F1539 | V1524-P1526 WeakPolarHBondContact CG1-O 2.96Å; P1526-I1529 HydrophobicContact CG-CD1 4.12Å; P1526-I1529 HydrophobicContact CG-CG1 3.6Å; P1526-F1539 WeakPolarHBondContact O-CB 2.9Å |
| 1527 | D | 73.4 | Confident | 71.2 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -70.5 | -31.4 | 167.3 | 51.2 | -11.4 | 0 | 0 | 0 | 112.8 | I1605 D1606 | D1527-I1605 WeakPolarHBondContact O-CA 3.17Å; D1527-I1605 WeakPolarHBondContact O-CG2 3.27Å; D1527-D1606 PolarHBondContact O-N 3.4Å; D1527-D1606 VanDerWaalsContact O-N 3.12Å |
| 1528 | V | 80.1 | Confident | 73.3 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.3 | 177.4 | -174 | 0 | 0 | 0 | 0 | 112.2 | Y1530 D1606 F1608 | V1528-Y1530 HydrophobicContact CG1-CD2 4.3Å; V1528-Y1530 HydrophobicContact CG1-CE2 3.58Å; V1528-D1606 CarbonylContact C-O 3.5Å; V1528-D1606 WeakPolarHBondContact CA-O 3.34Å; V1528-F1608 HydrophobicContact CG1-CD2 3.86Å; V1528-F1608 HydrophobicContact CG1-CE2 3.76Å |
| 1529 | I | 79.9 | Confident | 75.9 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138 | 178.7 | -64.7 | 178.9 | 0 | 0 | 0 | 110.6 | P1526 W1537 K1538 F1539 D1606 V1607 F1608 | P1526-I1529 HydrophobicContact CG-CD1 4.12Å; P1526-I1529 HydrophobicContact CG-CG1 3.6Å; I1529-W1537 HydrophobicContact CD1-CB 4.4Å; I1529-W1537 HydrophobicContact CD1-CD2 4.1Å; I1529-W1537 HydrophobicContact CD1-CE3 3.43Å; I1529-W1537 VanDerWaalsContact CD1-CE3 3.43Å; I1529-W1537 HydrophobicContact CD1-CZ3 4.06Å; I1529-W1537 HydrophobicContact CG2-CB 3.68Å; I1529-W1537 HydrophobicContact CG2-CD2 4.15Å; I1529-W1537 HydrophobicContact CG2-CG 3.81Å; I1529-K1538 WeakPolarHBondContact CD1-O 3.36Å; I1529-F1539 HydrophobicContact CD1-CB 4.14Å; I1529-F1539 HydrophobicContact CD1-CD1 4.17Å; I1529-D1606 PolarHBondContact N-O 3.05Å; I1529-V1607 HydrophobicContact CB-CB 4.48Å; I1529-V1607 HydrophobicContact CB-CG1 4.18Å; I1529-V1607 HydrophobicContact CB-CG2 4.16Å; I1529-V1607 HydrophobicContact CD1-CG2 4.45Å; I1529-V1607 HydrophobicContact CG2-CG1 4.03Å; I1529-V1607 WeakPolarHBondContact O-CA 3.41Å; I1529-F1608 PolarHBondContact O-N 3.34Å |
| 1530 | Y | 80.1 | Confident | 78.2 | Confident | 176 Ų | 176 | 60.9 Ų | 60.9 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.6 | 169.9 | -62.6 | -91 | 0 | 0 | 0 | 109.4 | V1528 F1608 | V1528-Y1530 HydrophobicContact CG1-CD2 4.3Å; V1528-Y1530 HydrophobicContact CG1-CE2 3.58Å; Y1530-F1608 HydrophobicContact CD1-CB 3.71Å; Y1530-F1608 HydrophobicContact CD1-CD2 4.23Å; Y1530-F1608 HydrophobicContact CD1-CG 4.25Å; Y1530-F1608 HydrophobicContact CE1-CB 3.96Å; Y1530-F1608 AromaticContact CE1-CD2 3.77Å; Y1530-F1608 HydrophobicContact CE1-CD2 3.77Å; Y1530-F1608 AromaticContact CE1-CG 3.99Å; Y1530-F1608 HydrophobicContact CE1-CG 3.99Å |
| 1531 | T | 77.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.9 | -174.1 | -163 | 0 | 0 | 0 | 0 | 113 | E1535 V1607 F1608 V1609 R1610 | T1531-E1535 WeakPolarHBondContact CA-OE2 3.09Å; T1531-E1535 WeakPolarHBondContact OG1-CB 3.5Å; T1531-E1535 WeakPolarHBondContact OG1-CG 3.41Å; T1531-E1535 PolarHBondContact OG1-O 3.15Å; T1531-E1535 PolarHBondContact OG1-OE2 3.22Å; T1531-V1607 HydrophobicContact CG2-CG1 4.35Å; T1531-F1608 PolarHBondContact N-O 2.79Å; T1531-V1609 HydrophobicContact CG2-CG2 4.16Å; T1531-R1610 WeakPolarHBondContact O-CB 3.38Å; T1531-R1610 PolarHBondContact O-N 2.78Å |
| 1532 | Q | 77.5 | Confident | 81.2 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | trans | -81.2 | 159.2 | 169.7 | -54.5 | -50 | -78.8 | 0 | 0 | 111.7 | Y1534 E1535 | Q1532-Y1534 PolarHBondContact O-N 2.92Å; Q1532-E1535 HydrophobicContact CB-CB 3.85Å; Q1532-E1535 PolarHBondContact N-OE2 2.95Å; Q1532-E1535 WeakPolarHBondContact O-CB 3.5Å; Q1532-E1535 PolarHBondContact O-N 3.2Å; Q1532-E1535 VanDerWaalsContact O-N 3.1Å | ||
| 1533 | P | 72.2 | Confident | 81.3 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -56.1 | 135.4 | 166.3 | -21.5 | 33.7 | 0 | 0 | 0 | 109.7 | E1535 L1584 E1586 V1609 R1610 M1619 | P1533-E1535 PolarHBondContact O-N 2.8Å; P1533-L1584 CarbonylContact C-O 3.54Å; P1533-L1584 VanDerWaalsContact CA-O 3.27Å; P1533-L1584 WeakPolarHBondContact CA-O 2.99Å; P1533-E1586 HydrophobicContact CB-CG 4.27Å; P1533-E1586 HydrophobicContact CG-CG 3.71Å; P1533-V1609 HydrophobicContact CG-CG1 4.38Å; P1533-R1610 WeakPolarHBondContact CD-O 3.25Å; P1533-R1610 WeakPolarHBondContact CG-O 2.96Å; P1533-M1619 HydrophobicContact CB-CE 4.08Å |
| 1534 | Y | 75.9 | Confident | 80.4 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 12.6 | -175.2 | -44.4 | -88 | 0 | 0 | 0 | 116.4 | Q1532 H1582 L1584 T1585 M1619 K1621 Y1648 | Q1532-Y1534 PolarHBondContact O-N 2.92Å; Y1534-H1582 CarbonylContact C-O 3.59Å; Y1534-L1584 PolarHBondContact N-O 3.21Å; Y1534-T1585 HydrophobicContact CD1-CG2 4.38Å; Y1534-T1585 HydrophobicContact CE1-CG2 3.76Å; Y1534-T1585 HydrophobicContact CE2-CG2 4.16Å; Y1534-M1619 HydrophobicContact CD2-CE 3.87Å; Y1534-M1619 HydrophobicContact CE2-CE 3.91Å; Y1534-M1619 VanDerWaalsContact CE2-O 3.29Å; Y1534-M1619 WeakPolarHBondContact CE2-O 3.23Å; Y1534-M1619 PolarHBondContact OH-O 2.97Å; Y1534-K1621 HydrophobicContact CD1-CB 3.99Å; Y1534-K1621 HydrophobicContact CD1-CD 4.23Å; Y1534-K1621 HydrophobicContact CD1-CG 3.93Å; Y1534-K1621 HydrophobicContact CD2-CB 4.25Å; Y1534-K1621 HydrophobicContact CD2-CG 4.42Å; Y1534-K1621 HydrophobicContact CE1-CB 3.7Å; Y1534-K1621 HydrophobicContact CE1-CD 4.45Å; Y1534-K1621 HydrophobicContact CE1-CG 4.16Å; Y1534-K1621 HydrophobicContact CE2-CB 4Å; Y1534-K1621 HydrophobicContact CG-CB 4.27Å; Y1534-K1621 HydrophobicContact CG-CG 4.09Å; Y1534-K1621 PolarHBondContact OH-N 2.92Å; Y1534-Y1648 HydrophobicContact CD1-CD2 4.13Å; Y1534-Y1648 AromaticContact CD1-CE2 3.31Å; Y1534-Y1648 HydrophobicContact CD1-CE2 3.31Å; Y1534-Y1648 AromaticContact CD1-CZ 3.63Å; Y1534-Y1648 AromaticContact CE1-CD2 3.59Å; Y1534-Y1648 HydrophobicContact CE1-CD2 3.59Å; Y1534-Y1648 AromaticContact CE1-CE2 3.26Å; Y1534-Y1648 HydrophobicContact CE1-CE2 3.26Å; Y1534-Y1648 HydrophobicContact CE1-CG 4.5Å; Y1534-Y1648 AromaticContact CE1-CZ 3.95Å |
| 1535 | E | 80.3 | Confident | 79.3 | Confident | 89 Ų | 89 | 55 Ų | 55 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | trans | -96.8 | 140.7 | 177.1 | 176.9 | -177.6 | -116.3 | 0 | 0 | 112.8 | T1531 Q1532 P1533 G1583 | T1531-E1535 WeakPolarHBondContact CA-OE2 3.09Å; T1531-E1535 WeakPolarHBondContact OG1-CB 3.5Å; T1531-E1535 WeakPolarHBondContact OG1-CG 3.41Å; T1531-E1535 PolarHBondContact OG1-O 3.15Å; T1531-E1535 PolarHBondContact OG1-OE2 3.22Å; Q1532-E1535 HydrophobicContact CB-CB 3.85Å; Q1532-E1535 PolarHBondContact N-OE2 2.95Å; Q1532-E1535 WeakPolarHBondContact O-CB 3.5Å; Q1532-E1535 PolarHBondContact O-N 3.2Å; Q1532-E1535 VanDerWaalsContact O-N 3.1Å; P1533-E1535 PolarHBondContact O-N 2.8Å; E1535-G1583 WeakPolarHBondContact O-CA 3.38Å | ||
| 1536 | R | 80.5 | Confident | 78.3 | Confident | 160 Ų | 160 | 53.5 Ų | 53.5 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | trans | -81.5 | 142.9 | -178.8 | -66.3 | 179.2 | 168.9 | 172.1 | -8 | 112.4 | I1581 | R1536-I1581 VanDerWaalsContact CZ-O 3.24Å; R1536-I1581 PolarHBondContact NE-O 2.86Å; R1536-I1581 PolarHBondContact NH2-O 3.02Å | ||
| 1537 | W | 86.9 | Confident | 77.4 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 166.6 | 176.1 | 53.8 | -97.9 | 0 | 0 | 0 | 111 | I1529 F1539 F1566 E1579 A1580 L1584 F1593 V1607 | I1529-W1537 HydrophobicContact CD1-CB 4.4Å; I1529-W1537 HydrophobicContact CD1-CD2 4.1Å; I1529-W1537 HydrophobicContact CD1-CE3 3.43Å; I1529-W1537 VanDerWaalsContact CD1-CE3 3.43Å; I1529-W1537 HydrophobicContact CD1-CZ3 4.06Å; I1529-W1537 HydrophobicContact CG2-CB 3.68Å; I1529-W1537 HydrophobicContact CG2-CD2 4.15Å; I1529-W1537 HydrophobicContact CG2-CG 3.81Å; W1537-F1539 HydrophobicContact CH2-CE1 4.48Å; W1537-F1539 AromaticContact CZ3-CD1 3.81Å; W1537-F1539 HydrophobicContact CZ3-CD1 3.81Å; W1537-F1539 AromaticContact CZ3-CE1 3.94Å; W1537-F1539 HydrophobicContact CZ3-CE1 3.94Å; W1537-F1566 AromaticContact CH2-CD1 3.96Å; W1537-F1566 HydrophobicContact CH2-CD1 3.96Å; W1537-F1566 AromaticContact CH2-CE1 3.6Å; W1537-F1566 HydrophobicContact CH2-CE1 3.6Å; W1537-F1566 HydrophobicContact CZ2-CD1 4.36Å; W1537-F1566 AromaticContact CZ2-CE1 3.69Å; W1537-F1566 HydrophobicContact CZ2-CE1 3.69Å; W1537-E1579 CarbonylContact O-C 3.56Å; W1537-E1579 WeakPolarHBondContact O-CA 3.06Å; W1537-A1580 HydrophobicContact CD2-CB 3.67Å; W1537-A1580 HydrophobicContact CE3-CB 4.15Å; W1537-A1580 HydrophobicContact CG-CB 4.18Å; W1537-A1580 HydrophobicContact CH2-CB 3.97Å; W1537-A1580 HydrophobicContact CZ2-CB 3.45Å; W1537-A1580 VanDerWaalsContact CZ2-CB 3.45Å; W1537-A1580 HydrophobicContact CZ3-CB 4.28Å; W1537-A1580 PolarHBondContact O-N 3.24Å; W1537-L1584 HydrophobicContact CZ2-CD1 3.79Å; W1537-L1584 HydrophobicContact CZ2-CG 4.28Å; W1537-F1593 AromaticContact CH2-CE2 3.82Å; W1537-F1593 HydrophobicContact CH2-CE2 3.82Å; W1537-F1593 AromaticContact CH2-CZ 3.76Å; W1537-F1593 HydrophobicContact CH2-CZ 3.76Å; W1537-F1593 HydrophobicContact CZ2-CE2 4.38Å; W1537-F1593 HydrophobicContact CZ2-CZ 4.3Å; W1537-V1607 HydrophobicContact CD2-CG1 4.16Å; W1537-V1607 HydrophobicContact CE3-CG2 4.43Å; W1537-V1607 HydrophobicContact CH2-CG1 4.37Å; W1537-V1607 HydrophobicContact CH2-CG2 3.7Å; W1537-V1607 HydrophobicContact CZ2-CB 4.21Å; W1537-V1607 HydrophobicContact CZ2-CG1 3.69Å; W1537-V1607 HydrophobicContact CZ2-CG2 3.88Å; W1537-V1607 HydrophobicContact CZ3-CG2 4.01Å |
| 1538 | K | 87 | Confident | 76.9 | Confident | 106 Ų | 106 | 55.2 Ų | 55.2 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.5 | 171.9 | 66.6 | 153.3 | -170.2 | 159.4 | 0 | 113.8 | I1529 E1540 V1578 E1579 | I1529-K1538 WeakPolarHBondContact CD1-O 3.36Å; K1538-E1540 IonicContact NZ-OE1 2.77Å; K1538-E1540 PolarHBondContact NZ-OE1 2.96Å; K1538-V1578 CarbonylContact C-O 3.55Å; K1538-V1578 WeakPolarHBondContact CA-O 3.2Å; K1538-V1578 VanDerWaalsContact CB-O 3.28Å; K1538-V1578 WeakPolarHBondContact CB-O 3.47Å; K1538-E1579 HydrophobicContact CB-CB 3.93Å; K1538-E1579 HydrophobicContact CB-CG 4.3Å |
| 1539 | F | 92.4 | Very high | 76.6 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 172 | 162 | 62.3 | -101.2 | 0 | 0 | 0 | 111.9 | V1524 V1525 P1526 I1529 W1537 V1552 S1577 V1578 F1593 I1605 | V1524-F1539 HydrophobicContact CG1-CB 4.29Å; V1524-F1539 HydrophobicContact CG1-CD2 3.97Å; V1524-F1539 HydrophobicContact CG1-CG 4.33Å; V1525-F1539 CarbonylContact O-C 3.6Å; V1525-F1539 WeakPolarHBondContact O-CA 3.45Å; P1526-F1539 WeakPolarHBondContact O-CB 2.9Å; I1529-F1539 HydrophobicContact CD1-CB 4.14Å; I1529-F1539 HydrophobicContact CD1-CD1 4.17Å; W1537-F1539 HydrophobicContact CH2-CE1 4.48Å; W1537-F1539 AromaticContact CZ3-CD1 3.81Å; W1537-F1539 HydrophobicContact CZ3-CD1 3.81Å; W1537-F1539 AromaticContact CZ3-CE1 3.94Å; W1537-F1539 HydrophobicContact CZ3-CE1 3.94Å; F1539-V1552 HydrophobicContact CE2-CG1 4.26Å; F1539-V1552 HydrophobicContact CZ-CG1 4.06Å; F1539-S1577 CarbonylContact O-C 3.57Å; F1539-S1577 WeakPolarHBondContact O-CA 3.16Å; F1539-S1577 WeakPolarHBondContact O-CB 3.31Å; F1539-S1577 PolarHBondContact O-OG 3.11Å; F1539-V1578 HydrophobicContact CD1-CB 4.32Å; F1539-V1578 HydrophobicContact CD2-CB 4.16Å; F1539-V1578 HydrophobicContact CD2-CG2 4.28Å; F1539-V1578 HydrophobicContact CE1-CB 3.89Å; F1539-V1578 HydrophobicContact CE1-CG1 4.07Å; F1539-V1578 HydrophobicContact CE1-CG2 4.45Å; F1539-V1578 HydrophobicContact CE2-CB 3.69Å; F1539-V1578 HydrophobicContact CE2-CG2 3.51Å; F1539-V1578 HydrophobicContact CG-CB 4.45Å; F1539-V1578 HydrophobicContact CZ-CB 3.56Å; F1539-V1578 HydrophobicContact CZ-CG1 3.95Å; F1539-V1578 HydrophobicContact CZ-CG2 3.63Å; F1539-V1578 PolarHBondContact N-O 2.84Å; F1539-V1578 PolarHBondContact O-N 3.46Å; F1539-F1593 HydrophobicContact CE1-CB 4.47Å; F1539-F1593 HydrophobicContact CE1-CD2 4.24Å; F1539-F1593 HydrophobicContact CE1-CG 4.23Å; F1539-F1593 HydrophobicContact CZ-CB 4.21Å; F1539-F1593 HydrophobicContact CZ-CG 4.33Å; F1539-I1605 HydrophobicContact CD1-CG2 3.92Å; F1539-I1605 HydrophobicContact CD2-CD1 3.91Å; F1539-I1605 HydrophobicContact CE1-CD1 4.27Å; F1539-I1605 HydrophobicContact CE1-CG2 4.07Å; F1539-I1605 HydrophobicContact CE2-CD1 3.41Å; F1539-I1605 VanDerWaalsContact CE2-CD1 3.41Å; F1539-I1605 HydrophobicContact CG-CG2 4.2Å; F1539-I1605 HydrophobicContact CZ-CD1 3.61Å; F1539-I1605 HydrophobicContact CZ-CG2 4.47Å |
| 1540 | E | 88.5 | Confident | 76.8 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.9 | 174.2 | -75.3 | 161.2 | -152.9 | 0 | 0 | 108.6 | V1524 V1525 K1538 I1571 | V1524-E1540 CarbonylContact C-O 3.51Å; V1524-E1540 WeakPolarHBondContact CA-O 3.5Å; V1525-E1540 PolarHBondContact N-O 3.11Å; V1525-E1540 PolarHBondContact O-N 2.82Å; K1538-E1540 IonicContact NZ-OE1 2.77Å; K1538-E1540 PolarHBondContact NZ-OE1 2.96Å; E1540-I1571 HydrophobicContact CG-CD1 3.84Å |
| 1541 | C | 90.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | I1522 R1523 V1524 T1575 V1576 C1595 | I1522-C1541 WeakPolarHBondContact CG2-SG 3.21Å; R1523-C1541 CarbonylContact O-C 3.57Å; R1523-C1541 WeakPolarHBondContact O-CA 3.48Å; V1524-C1541 HydrophobicContact CG2-CB 4.29Å; C1541-T1575 CarbonylContact O-C 3.48Å; C1541-T1575 WeakPolarHBondContact O-CA 3.47Å; C1541-V1576 PolarHBondContact N-O 3.37Å; C1541-V1576 PolarHBondContact O-N 2.72Å; C1541-C1595 HydrophobicContact CB-CB 3.92Å; C1541-C1595 WeakPolarHBondContact CB-SG 3.29Å; C1541-C1595 WeakPolarHBondContact SG-CB 3.18Å; C1541-C1595 CovalentContact SG-SG 2.03Å; C1541-C1595 PolarHBondContact SG-SG 3.32Å |
| 1542 | S | 82 | Confident | 77.6 | Confident | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.4 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | R1523 N1574 T1575 | R1523-S1542 PolarHBondContact N-O 3.18Å; R1523-S1542 PolarHBondContact O-N 2.94Å; S1542-N1574 CarbonylContact C-O 3.17Å; S1542-N1574 VanDerWaalsContact CA-O 3.24Å; S1542-N1574 WeakPolarHBondContact CA-O 3.33Å; S1542-T1575 VanDerWaalsContact OG-CG2 3.23Å; S1542-T1575 WeakPolarHBondContact OG-CG2 3.43Å; S1542-T1575 PolarHBondContact OG-OG1 2.72Å |
| 1543 | V | 76.8 | Confident | 78 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127 | 160.9 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | V1520 I1522 V1548 P1550 N1574 F1597 | V1520-V1543 HydrophobicContact CG1-CG1 3.46Å; V1520-V1543 VanDerWaalsContact CG1-CG1 3.46Å; I1522-V1543 HydrophobicContact CG1-CG2 4.35Å; V1543-V1548 WeakPolarHBondContact CB-O 3.41Å; V1543-V1548 HydrophobicContact CG1-CB 4.39Å; V1543-P1550 HydrophobicContact CB-CG 4.34Å; V1543-P1550 HydrophobicContact CG2-CB 4.14Å; V1543-P1550 HydrophobicContact CG2-CG 3.86Å; V1543-N1574 PolarHBondContact N-O 3.28Å; V1543-F1597 HydrophobicContact CG1-CD1 4.31Å; V1543-F1597 HydrophobicContact CG1-CE1 4.44Å; V1543-F1597 HydrophobicContact CG2-CB 4.33Å; V1543-F1597 HydrophobicContact CG2-CD1 3.73Å; V1543-F1597 HydrophobicContact CG2-CE1 4.47Å; V1543-F1597 HydrophobicContact CG2-CG 4.35Å |
| 1544 | L | 64.1 | Low | 78.6 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.8 | -178.4 | -59.7 | -177.3 | 0 | 0 | 0 | 110 | V1520 N1521 R1523 | V1520-L1544 CarbonylContact C-O 3.58Å; V1520-L1544 WeakPolarHBondContact CA-O 3.24Å; N1521-L1544 PolarHBondContact N-O 3.06Å; N1521-L1544 PolarHBondContact O-N 2.94Å; R1523-L1544 HydrophobicContact CB-CD1 3.8Å; R1523-L1544 HydrophobicContact CB-CG 4.2Å; R1523-L1544 HydrophobicContact CG-CD1 4.43Å |
| 1545 | G | 61.5 | Low | 78.5 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 99.2 | -13.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1546 | A | 56.4 | Low | 78.1 | Confident | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -144.9 | 156.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1520 V1548 | V1520-A1546 HydrophobicContact CB-CB 4.34Å; V1520-A1546 HydrophobicContact CG1-CB 3.84Å; V1520-A1546 HydrophobicContact CG2-CB 3.49Å; V1520-A1546 VanDerWaalsContact CG2-CB 3.49Å; A1546-V1548 VanDerWaalsContact C-N 3.26Å; A1546-V1548 HydrophobicContact CB-CG2 3.85Å; A1546-V1548 PolarHBondContact O-N 3.08Å |
| 1547 | D | 61.3 | Low | 77.6 | Confident | 143 Ų | 143 | 50.5 Ų | 50.5 | 77% | 0.765 | 29% | 0.286 | S | S | * | . | trans | -82.2 | 69.7 | 177.7 | -122.3 | 31.8 | 0 | 0 | 0 | 109.5 | N1574 | D1547-N1574 VanDerWaalsContact CA-OD1 3.26Å; D1547-N1574 WeakPolarHBondContact CA-OD1 3.4Å; D1547-N1574 PolarHBondContact OD1-ND2 2.98Å | ||
| 1548 | V | 63.4 | Low | 77.2 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | trans | -134.2 | 129.7 | -173.4 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | V1543 A1546 P1550 N1574 F1597 | V1543-V1548 WeakPolarHBondContact CB-O 3.41Å; V1543-V1548 HydrophobicContact CG1-CB 4.39Å; A1546-V1548 VanDerWaalsContact C-N 3.26Å; A1546-V1548 HydrophobicContact CB-CG2 3.85Å; A1546-V1548 PolarHBondContact O-N 3.08Å; V1548-P1550 WeakPolarHBondContact O-CD 3.34Å; V1548-N1574 PolarHBondContact N-OD1 2.74Å; V1548-N1574 VanDerWaalsContact N-OD1 3.08Å; V1548-F1597 HydrophobicContact CG1-CB 3.88Å; V1548-F1597 HydrophobicContact CG1-CD2 4.01Å; V1548-F1597 HydrophobicContact CG1-CG 4.16Å | ||
| 1549 | E | 73.5 | Confident | 76.8 | Confident | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | trans | -71.1 | 124.9 | -174.5 | -172.4 | 163.9 | -140.5 | 0 | 0 | 112.6 | R1570 P1573 | E1549-R1570 VanDerWaalsContact OE1-CD 3.29Å; E1549-R1570 WeakPolarHBondContact OE1-CD 3.42Å; E1549-R1570 IonicContact OE1-CZ 3.77Å; E1549-R1570 IonicContact OE1-NE 3.75Å; E1549-R1570 IonicContact OE1-NH1 2.83Å; E1549-R1570 PolarHBondContact OE1-NH1 2.02Å; E1549-R1570 IonicContact OE2-NH1 3.95Å; E1549-P1573 WeakPolarHBondContact CA-O 3.09Å | ||
| 1550 | P | 84.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | trans | -65.3 | 136.9 | 176.1 | -15.8 | 25 | 0 | 0 | 0 | 112.7 | V1543 V1548 N1574 V1576 | V1543-P1550 HydrophobicContact CB-CG 4.34Å; V1543-P1550 HydrophobicContact CG2-CB 4.14Å; V1543-P1550 HydrophobicContact CG2-CG 3.86Å; V1548-P1550 WeakPolarHBondContact O-CD 3.34Å; P1550-N1574 WeakPolarHBondContact CG-O 3.16Å; P1550-V1576 HydrophobicContact CB-CB 4.27Å; P1550-V1576 HydrophobicContact CB-CG2 3.92Å; P1550-V1576 HydrophobicContact CG-CB 4.39Å; P1550-V1576 HydrophobicContact CG-CG2 3.86Å | ||
| 1551 | I | 86.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.9 | 173.7 | -58.7 | 177.8 | 0 | 0 | 0 | 107.8 | L1559 C1595 T1596 P1598 | I1551-L1559 HydrophobicContact CG2-CD2 3.5Å; I1551-C1595 WeakPolarHBondContact O-CA 3.34Å; I1551-T1596 HydrophobicContact CB-CG2 4.17Å; I1551-T1596 HydrophobicContact CG2-CG2 4.41Å; I1551-T1596 PolarHBondContact N-O 2.61Å; I1551-T1596 PolarHBondContact O-N 3.19Å; I1551-P1598 HydrophobicContact CD1-CG 3.87Å |
| 1552 | V | 88.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.5 | 174.5 | -160.4 | 0 | 0 | 0 | 0 | 109.7 | F1539 V1560 V1576 V1578 F1593 I1594 | F1539-V1552 HydrophobicContact CE2-CG1 4.26Å; F1539-V1552 HydrophobicContact CZ-CG1 4.06Å; V1552-V1560 HydrophobicContact CB-CB 4.33Å; V1552-V1560 HydrophobicContact CB-CG2 4.08Å; V1552-V1560 HydrophobicContact CG1-CB 4.39Å; V1552-V1560 HydrophobicContact CG1-CG2 3.71Å; V1552-V1560 WeakPolarHBondContact O-CG2 3.32Å; V1552-V1560 PolarHBondContact O-N 2.97Å; V1552-V1576 HydrophobicContact CG2-CG1 4.31Å; V1552-V1578 HydrophobicContact CB-CG2 4.49Å; V1552-V1578 HydrophobicContact CG1-CG2 4.44Å; V1552-V1578 HydrophobicContact CG2-CG2 4.16Å; V1552-F1593 HydrophobicContact CG1-CB 4.39Å; V1552-I1594 WeakPolarHBondContact CA-O 3.38Å |
| 1553 | K | 85.9 | Confident | 74.1 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 163.2 | 176.6 | 66.3 | -176.7 | -172.9 | 173 | 0 | 110.4 | R1558 L1559 I1594 E1602 | K1553-R1558 CarbonylContact C-O 3.5Å; K1553-R1558 WeakPolarHBondContact CA-O 3.34Å; K1553-R1558 WeakPolarHBondContact CB-O 3.22Å; K1553-L1559 HydrophobicContact CB-CD2 4.49Å; K1553-I1594 HydrophobicContact CD-CB 4.47Å; K1553-I1594 HydrophobicContact CD-CG2 4.48Å; K1553-I1594 VanDerWaalsContact CE-CG2 3.45Å; K1553-I1594 HydrophobicContact CG-CB 3.82Å; K1553-I1594 HydrophobicContact CG-CG2 4.23Å; K1553-I1594 PolarHBondContact N-O 3.16Å; K1553-I1594 PolarHBondContact O-N 2.72Å; K1553-E1602 VanDerWaalsContact CE-OE2 3.27Å; K1553-E1602 WeakPolarHBondContact CE-OE2 3.08Å; K1553-E1602 IonicContact NZ-OE1 3.28Å; K1553-E1602 PolarHBondContact NZ-OE1 2.63Å; K1553-E1602 IonicContact NZ-OE2 2.73Å; K1553-E1602 PolarHBondContact NZ-OE2 3.48Å |
| 1554 | F | 83.1 | Confident | 73.7 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 167 | 165.1 | -63.3 | -95 | 0 | 0 | 0 | 110 | D1556 G1557 R1558 V1560 D1563 F1566 F1593 | F1554-D1556 WeakPolarHBondContact CB-OD1 3.47Å; F1554-D1556 PolarHBondContact O-N 2.99Å; F1554-D1556 VanDerWaalsContact O-N 3.09Å; F1554-G1557 PolarHBondContact O-N 2.86Å; F1554-R1558 HydrophobicContact CB-CG 4.28Å; F1554-R1558 VanDerWaalsContact CD1-NH2 3.29Å; F1554-R1558 HydrophobicContact CD2-CG 3.49Å; F1554-R1558 VanDerWaalsContact CD2-CG 3.49Å; F1554-R1558 WeakPolarHBondContact CD2-O 3.46Å; F1554-R1558 VanDerWaalsContact CE1-NH2 3.3Å; F1554-R1558 HydrophobicContact CE2-CG 4.17Å; F1554-R1558 VanDerWaalsContact CE2-NH1 3.26Å; F1554-R1558 HydrophobicContact CG-CG 4.26Å; F1554-R1558 PolarHBondContact N-O 2.92Å; F1554-V1560 HydrophobicContact CD2-CG2 4Å; F1554-V1560 HydrophobicContact CE2-CB 4.29Å; F1554-V1560 HydrophobicContact CE2-CG2 4.01Å; F1554-V1560 HydrophobicContact CG-CG2 4.42Å; F1554-V1560 HydrophobicContact CZ-CG2 4.41Å; F1554-D1563 HydrophobicContact CE2-CB 3.72Å; F1554-D1563 HydrophobicContact CZ-CB 3.71Å; F1554-D1563 WeakPolarHBondContact CZ-OD2 3.13Å; F1554-F1566 HydrophobicContact CE1-CD2 4.46Å; F1554-F1566 AromaticContact CE1-CE2 3.79Å; F1554-F1566 HydrophobicContact CE1-CE2 3.79Å; F1554-F1566 HydrophobicContact CE1-CZ 4.05Å; F1554-F1566 AromaticContact CZ-CD2 3.81Å; F1554-F1566 HydrophobicContact CZ-CD2 3.81Å; F1554-F1566 AromaticContact CZ-CE2 3.49Å; F1554-F1566 HydrophobicContact CZ-CE2 3.49Å; F1554-F1566 VanDerWaalsContact CZ-CE2 3.49Å; F1554-F1566 HydrophobicContact CZ-CZ 4.2Å; F1554-F1593 AromaticContact CD1-CD1 3.85Å; F1554-F1593 HydrophobicContact CD1-CD1 3.85Å; F1554-F1593 AromaticContact CD1-CE1 3.65Å; F1554-F1593 HydrophobicContact CD1-CE1 3.65Å; F1554-F1593 HydrophobicContact CD1-CZ 4.4Å; F1554-F1593 AromaticContact CE1-CD1 3.92Å; F1554-F1593 HydrophobicContact CE1-CD1 3.92Å; F1554-F1593 AromaticContact CE1-CE1 3.27Å; F1554-F1593 HydrophobicContact CE1-CE1 3.27Å; F1554-F1593 AromaticContact CE1-CZ 3.98Å; F1554-F1593 HydrophobicContact CE1-CZ 3.98Å; F1554-F1593 AromaticContact CZ-CE1 3.99Å; F1554-F1593 HydrophobicContact CZ-CE1 3.99Å |
| 1555 | Q | 74.3 | Confident | 73.8 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.2 | 176.3 | -161.5 | 176.8 | 50 | 0 | 0 | 114.3 | G1557 S1592 | Q1555-G1557 VanDerWaalsContact C-N 3.32Å; Q1555-S1592 PolarHBondContact N-O 3.2Å |
| 1556 | D | 73.3 | Confident | 74.8 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 5.1 | 173.5 | 61 | 23.2 | 0 | 0 | 0 | 113.9 | F1554 R1558 | F1554-D1556 WeakPolarHBondContact CB-OD1 3.47Å; F1554-D1556 PolarHBondContact O-N 2.99Å; F1554-D1556 VanDerWaalsContact O-N 3.09Å; D1556-R1558 WeakPolarHBondContact OD1-CD 3.35Å; D1556-R1558 WeakPolarHBondContact OD1-CG 3.28Å; D1556-R1558 PolarHBondContact OD1-N 2.88Å; D1556-R1558 IonicContact OD1-NE 3.27Å; D1556-R1558 PolarHBondContact OD1-NE 2.84Å; D1556-R1558 VanDerWaalsContact OD1-NE 3.13Å; D1556-R1558 IonicContact OD2-CZ 2.74Å; D1556-R1558 IonicContact OD2-NE 2.59Å; D1556-R1558 PolarHBondContact OD2-NE 3.38Å; D1556-R1558 IonicContact OD2-NH2 3.13Å |
| 1557 | G | 69 | Low | 76 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 90 | -15.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F1554 Q1555 | F1554-G1557 PolarHBondContact O-N 2.86Å; Q1555-G1557 VanDerWaalsContact C-N 3.32Å |
| 1558 | R | 77.9 | Confident | 77 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | trans | -73.1 | 145.5 | -179.4 | 77.9 | -154.3 | 161 | 86 | 9.2 | 111.7 | K1553 F1554 D1556 D1563 | K1553-R1558 CarbonylContact C-O 3.5Å; K1553-R1558 WeakPolarHBondContact CA-O 3.34Å; K1553-R1558 WeakPolarHBondContact CB-O 3.22Å; F1554-R1558 HydrophobicContact CB-CG 4.28Å; F1554-R1558 VanDerWaalsContact CD1-NH2 3.29Å; F1554-R1558 HydrophobicContact CD2-CG 3.49Å; F1554-R1558 VanDerWaalsContact CD2-CG 3.49Å; F1554-R1558 WeakPolarHBondContact CD2-O 3.46Å; F1554-R1558 VanDerWaalsContact CE1-NH2 3.3Å; F1554-R1558 HydrophobicContact CE2-CG 4.17Å; F1554-R1558 VanDerWaalsContact CE2-NH1 3.26Å; F1554-R1558 HydrophobicContact CG-CG 4.26Å; F1554-R1558 PolarHBondContact N-O 2.92Å; D1556-R1558 WeakPolarHBondContact OD1-CD 3.35Å; D1556-R1558 WeakPolarHBondContact OD1-CG 3.28Å; D1556-R1558 PolarHBondContact OD1-N 2.88Å; D1556-R1558 IonicContact OD1-NE 3.27Å; D1556-R1558 PolarHBondContact OD1-NE 2.84Å; D1556-R1558 VanDerWaalsContact OD1-NE 3.13Å; D1556-R1558 IonicContact OD2-CZ 2.74Å; D1556-R1558 IonicContact OD2-NE 2.59Å; D1556-R1558 PolarHBondContact OD2-NE 3.38Å; D1556-R1558 IonicContact OD2-NH2 3.13Å; R1558-D1563 IonicContact CZ-OD2 2.99Å; R1558-D1563 IonicContact NH1-OD2 2.77Å; R1558-D1563 PolarHBondContact NH1-OD2 2.7Å; R1558-D1563 IonicContact NH2-OD2 3.58Å | ||
| 1559 | L | 79.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 140 | -179.5 | -64.6 | 176 | 0 | 0 | 0 | 112 | I1551 K1553 E1561 S1562 | I1551-L1559 HydrophobicContact CG2-CD2 3.5Å; K1553-L1559 HydrophobicContact CB-CD2 4.49Å; L1559-E1561 VanDerWaalsContact C-N 3.31Å; L1559-E1561 HydrophobicContact CB-CG 4.19Å; L1559-E1561 PolarHBondContact O-N 3.23Å; L1559-S1562 WeakPolarHBondContact O-CB 3.37Å; L1559-S1562 PolarHBondContact O-N 2.75Å; L1559-S1562 VanDerWaalsContact O-N 3.11Å; L1559-S1562 PolarHBondContact O-OG 2.91Å |
| 1560 | V | 81.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -65.7 | -34.4 | -178.6 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | V1552 F1554 S1562 D1563 F1566 V1568 V1578 F1593 | V1552-V1560 HydrophobicContact CB-CB 4.33Å; V1552-V1560 HydrophobicContact CB-CG2 4.08Å; V1552-V1560 HydrophobicContact CG1-CB 4.39Å; V1552-V1560 HydrophobicContact CG1-CG2 3.71Å; V1552-V1560 WeakPolarHBondContact O-CG2 3.32Å; V1552-V1560 PolarHBondContact O-N 2.97Å; F1554-V1560 HydrophobicContact CD2-CG2 4Å; F1554-V1560 HydrophobicContact CE2-CB 4.29Å; F1554-V1560 HydrophobicContact CE2-CG2 4.01Å; F1554-V1560 HydrophobicContact CG-CG2 4.42Å; F1554-V1560 HydrophobicContact CZ-CG2 4.41Å; V1560-S1562 PolarHBondContact O-N 2.96Å; V1560-S1562 VanDerWaalsContact O-N 3.12Å; V1560-D1563 PolarHBondContact O-N 3.45Å; V1560-F1566 HydrophobicContact CG1-CB 3.67Å; V1560-F1566 HydrophobicContact CG1-CD2 4.32Å; V1560-F1566 HydrophobicContact CG1-CG 3.94Å; V1560-V1568 HydrophobicContact CB-CG2 4.49Å; V1560-V1568 HydrophobicContact CG1-CG2 4.12Å; V1560-V1578 HydrophobicContact CG1-CG1 3.84Å; V1560-F1593 HydrophobicContact CG1-CD1 4.5Å; V1560-F1593 HydrophobicContact CG1-CE1 4.46Å; V1560-F1593 HydrophobicContact CG2-CD1 3.69Å; V1560-F1593 HydrophobicContact CG2-CE1 4.29Å |
| 1561 | E | 77.6 | Confident | 77.9 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -66.3 | -8 | 175.4 | 59.6 | -175.8 | -177.6 | 0 | 0 | 114.5 | L1559 V1568 R1570 | L1559-E1561 VanDerWaalsContact C-N 3.31Å; L1559-E1561 HydrophobicContact CB-CG 4.19Å; L1559-E1561 PolarHBondContact O-N 3.23Å; E1561-V1568 HydrophobicContact CB-CB 4.28Å; E1561-V1568 HydrophobicContact CB-CG2 3.89Å; E1561-R1570 IonicContact OE1-NH2 3.72Å; E1561-R1570 IonicContact OE2-CZ 3.8Å; E1561-R1570 IonicContact OE2-NH2 2.68Å; E1561-R1570 PolarHBondContact OE2-NH2 2.82Å |
| 1562 | S | 68.4 | Low | 77.4 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -82.4 | -13.2 | 170.5 | 73 | 0 | 0 | 0 | 0 | 113.9 | L1559 V1560 | L1559-S1562 WeakPolarHBondContact O-CB 3.37Å; L1559-S1562 PolarHBondContact O-N 2.75Å; L1559-S1562 VanDerWaalsContact O-N 3.11Å; L1559-S1562 PolarHBondContact O-OG 2.91Å; V1560-S1562 PolarHBondContact O-N 2.96Å; V1560-S1562 VanDerWaalsContact O-N 3.12Å |
| 1563 | D | 68.3 | Low | 76.5 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -107.5 | 104.8 | -173.3 | -169 | -40.8 | 0 | 0 | 0 | 109.5 | F1554 R1558 V1560 N1565 F1566 | F1554-D1563 HydrophobicContact CE2-CB 3.72Å; F1554-D1563 HydrophobicContact CZ-CB 3.71Å; F1554-D1563 WeakPolarHBondContact CZ-OD2 3.13Å; R1558-D1563 IonicContact CZ-OD2 2.99Å; R1558-D1563 IonicContact NH1-OD2 2.77Å; R1558-D1563 PolarHBondContact NH1-OD2 2.7Å; R1558-D1563 IonicContact NH2-OD2 3.58Å; V1560-D1563 PolarHBondContact O-N 3.45Å; D1563-N1565 PolarHBondContact O-N 2.94Å; D1563-N1565 VanDerWaalsContact OD1-CB 3.3Å; D1563-N1565 WeakPolarHBondContact OD1-CB 3.4Å; D1563-N1565 PolarHBondContact OD1-N 2.87Å; D1563-N1565 PolarHBondContact OD1-ND2 3.07Å; D1563-F1566 HydrophobicContact CB-CD2 3.87Å; D1563-F1566 HydrophobicContact CB-CE2 4.26Å; D1563-F1566 PolarHBondContact O-N 3.2Å |
| 1564 | P | 68.1 | Low | 76.1 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -9.4 | -168.7 | -22.6 | 32.7 | 0 | 0 | 0 | 115.3 | F1566 I1652 Q1654 | P1564-F1566 PolarHBondContact O-N 3.18Å; P1564-I1652 HydrophobicContact CB-CG2 4.33Å; P1564-I1652 HydrophobicContact CG-CG2 4.33Å; P1564-Q1654 HydrophobicContact CG-CG 4.06Å |
| 1565 | N | 67.2 | Low | 76.1 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.6 | 179 | -52.3 | -25.3 | 0 | 0 | 0 | 111.6 | D1563 A1580 I1581 P1647 | D1563-N1565 PolarHBondContact O-N 2.94Å; D1563-N1565 VanDerWaalsContact OD1-CB 3.3Å; D1563-N1565 WeakPolarHBondContact OD1-CB 3.4Å; D1563-N1565 PolarHBondContact OD1-N 2.87Å; D1563-N1565 PolarHBondContact OD1-ND2 3.07Å; N1565-A1580 WeakPolarHBondContact O-CA 3.44Å; N1565-I1581 WeakPolarHBondContact O-CG1 3.37Å; N1565-I1581 PolarHBondContact O-N 3.4Å; N1565-I1581 VanDerWaalsContact O-N 3.16Å; N1565-P1647 HydrophobicContact CB-CB 4.32Å; N1565-P1647 VanDerWaalsContact CG-CB 3.42Å; N1565-P1647 WeakPolarHBondContact OD1-CB 3.39Å |
| 1566 | F | 80.7 | Confident | 76.7 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.2 | -177 | -53.1 | -85.6 | 0 | 0 | 0 | 110.6 | W1537 F1554 V1560 D1563 P1564 V1568 V1578 E1579 A1580 L1584 F1593 | W1537-F1566 AromaticContact CH2-CD1 3.96Å; W1537-F1566 HydrophobicContact CH2-CD1 3.96Å; W1537-F1566 AromaticContact CH2-CE1 3.6Å; W1537-F1566 HydrophobicContact CH2-CE1 3.6Å; W1537-F1566 HydrophobicContact CZ2-CD1 4.36Å; W1537-F1566 AromaticContact CZ2-CE1 3.69Å; W1537-F1566 HydrophobicContact CZ2-CE1 3.69Å; F1554-F1566 HydrophobicContact CE1-CD2 4.46Å; F1554-F1566 AromaticContact CE1-CE2 3.79Å; F1554-F1566 HydrophobicContact CE1-CE2 3.79Å; F1554-F1566 HydrophobicContact CE1-CZ 4.05Å; F1554-F1566 AromaticContact CZ-CD2 3.81Å; F1554-F1566 HydrophobicContact CZ-CD2 3.81Å; F1554-F1566 AromaticContact CZ-CE2 3.49Å; F1554-F1566 HydrophobicContact CZ-CE2 3.49Å; F1554-F1566 VanDerWaalsContact CZ-CE2 3.49Å; F1554-F1566 HydrophobicContact CZ-CZ 4.2Å; V1560-F1566 HydrophobicContact CG1-CB 3.67Å; V1560-F1566 HydrophobicContact CG1-CD2 4.32Å; V1560-F1566 HydrophobicContact CG1-CG 3.94Å; D1563-F1566 HydrophobicContact CB-CD2 3.87Å; D1563-F1566 HydrophobicContact CB-CE2 4.26Å; D1563-F1566 PolarHBondContact O-N 3.2Å; P1564-F1566 PolarHBondContact O-N 3.18Å; F1566-V1568 PolarHBondContact O-N 3.2Å; F1566-V1578 HydrophobicContact CB-CG1 4.06Å; F1566-V1578 HydrophobicContact CD1-CG1 4.21Å; F1566-E1579 CarbonylContact C-O 3.59Å; F1566-E1579 WeakPolarHBondContact CA-O 3.33Å; F1566-A1580 HydrophobicContact CD1-CB 4.09Å; F1566-A1580 HydrophobicContact CE1-CB 4.11Å; F1566-L1584 HydrophobicContact CE1-CD2 4.46Å; F1566-L1584 HydrophobicContact CZ-CD2 3.99Å; F1566-F1593 HydrophobicContact CD1-CE1 4.14Å; F1566-F1593 HydrophobicContact CD1-CZ 4.22Å; F1566-F1593 AromaticContact CE1-CE1 3.73Å; F1566-F1593 HydrophobicContact CE1-CE1 3.73Å; F1566-F1593 AromaticContact CE1-CZ 3.45Å; F1566-F1593 HydrophobicContact CE1-CZ 3.45Å; F1566-F1593 VanDerWaalsContact CE1-CZ 3.45Å; F1566-F1593 HydrophobicContact CE2-CE1 4.42Å; F1566-F1593 AromaticContact CZ-CE1 3.87Å; F1566-F1593 HydrophobicContact CZ-CE1 3.87Å; F1566-F1593 AromaticContact CZ-CZ 3.69Å; F1566-F1593 HydrophobicContact CZ-CZ 3.69Å |
| 1567 | R | 82 | Confident | 77.5 | Confident | 124 Ų | 124 | 52.9 Ų | 52.9 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.7 | 169.6 | 177 | -172.3 | -68.5 | 143.9 | -2.2 | 109 | E1579 I1581 | R1567-E1579 HydrophobicContact CB-CB 4.35Å; R1567-E1579 IonicContact CZ-OE2 2.65Å; R1567-E1579 PolarHBondContact N-O 3.23Å; R1567-E1579 IonicContact NE-OE2 2.99Å; R1567-E1579 IonicContact NH1-OE1 3.38Å; R1567-E1579 IonicContact NH1-OE2 3.04Å; R1567-E1579 PolarHBondContact NH1-OE2 3.12Å; R1567-E1579 PolarHBondContact O-N 3.2Å; R1567-I1581 HydrophobicContact CB-CG2 3.62Å |
| 1568 | V | 82.5 | Confident | 78.3 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.5 | 170.7 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | V1560 E1561 F1566 V1576 S1577 V1578 | V1560-V1568 HydrophobicContact CB-CG2 4.49Å; V1560-V1568 HydrophobicContact CG1-CG2 4.12Å; E1561-V1568 HydrophobicContact CB-CB 4.28Å; E1561-V1568 HydrophobicContact CB-CG2 3.89Å; F1566-V1568 PolarHBondContact O-N 3.2Å; V1568-V1576 HydrophobicContact CG1-CG1 3.32Å; V1568-S1577 CarbonylContact C-O 3.56Å; V1568-S1577 WeakPolarHBondContact CA-O 3.5Å; V1568-V1578 HydrophobicContact CG2-CG2 4.4Å |
| 1569 | T | 82.3 | Confident | 78.7 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 39% | 0.387 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 110 | -173 | -42.1 | 0 | 0 | 0 | 0 | 109.7 | I1571 S1577 | T1569-I1571 PolarHBondContact O-N 2.9Å; T1569-S1577 PolarHBondContact N-O 2.77Å; T1569-S1577 PolarHBondContact O-N 2.77Å |
| 1570 | R | 81.8 | Confident | 78.8 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 114.1 | -178.4 | -50.3 | -177.4 | -177 | -94.2 | -6.4 | 108.3 | E1549 E1561 V1576 | E1549-R1570 VanDerWaalsContact OE1-CD 3.29Å; E1549-R1570 WeakPolarHBondContact OE1-CD 3.42Å; E1549-R1570 IonicContact OE1-CZ 3.77Å; E1549-R1570 IonicContact OE1-NE 3.75Å; E1549-R1570 IonicContact OE1-NH1 2.83Å; E1549-R1570 PolarHBondContact OE1-NH1 2.02Å; E1549-R1570 IonicContact OE2-NH1 3.95Å; E1561-R1570 IonicContact OE1-NH2 3.72Å; E1561-R1570 IonicContact OE2-CZ 3.8Å; E1561-R1570 IonicContact OE2-NH2 2.68Å; E1561-R1570 PolarHBondContact OE2-NH2 2.82Å; R1570-V1576 HydrophobicContact CG-CG2 4.26Å |
| 1571 | I | 77 | Confident | 78.6 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -44.5 | -174 | -68.3 | -177.7 | 0 | 0 | 0 | 110.5 | E1540 T1569 T1575 | E1540-I1571 HydrophobicContact CG-CD1 3.84Å; T1569-I1571 PolarHBondContact O-N 2.9Å; I1571-T1575 HydrophobicContact CB-CG2 4.18Å; I1571-T1575 HydrophobicContact CD1-CG2 4.33Å; I1571-T1575 PolarHBondContact N-O 2.95Å |
| 1572 | D | 76.2 | Confident | 78.3 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 172.5 | 174.7 | 62.9 | 63.8 | 0 | 0 | 0 | 107.9 | N1574 T1575 | D1572-N1574 PolarHBondContact O-N 2.86Å; D1572-N1574 WeakPolarHBondContact OD1-CA 3.04Å; D1572-N1574 PolarHBondContact OD1-N 2.87Å; D1572-T1575 PolarHBondContact O-N 2.81Å; D1572-T1575 VanDerWaalsContact O-N 3.14Å; D1572-T1575 WeakPolarHBondContact OD1-CB 3.39Å; D1572-T1575 PolarHBondContact OD1-N 2.9Å; D1572-T1575 PolarHBondContact OD1-OG1 3.46Å; D1572-T1575 VanDerWaalsContact OD1-OG1 3.06Å; D1572-T1575 VanDerWaalsContact OD2-CB 3.27Å; D1572-T1575 WeakPolarHBondContact OD2-CB 3.39Å; D1572-T1575 PolarHBondContact OD2-OG1 3.48Å |
| 1573 | P | 69.7 | Low | 78.8 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25 | -175.4 | -27.2 | 36.4 | 0 | 0 | 0 | 114.5 | E1549 | E1549-P1573 WeakPolarHBondContact CA-O 3.09Š|
| 1574 | N | 77.5 | Confident | 79.2 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 15% | 0.15 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 3.7 | -172.4 | -52.4 | -29.2 | 0 | 0 | 0 | 111.7 | S1542 V1543 D1547 V1548 P1550 D1572 | S1542-N1574 CarbonylContact C-O 3.17Å; S1542-N1574 VanDerWaalsContact CA-O 3.24Å; S1542-N1574 WeakPolarHBondContact CA-O 3.33Å; V1543-N1574 PolarHBondContact N-O 3.28Å; D1547-N1574 VanDerWaalsContact CA-OD1 3.26Å; D1547-N1574 WeakPolarHBondContact CA-OD1 3.4Å; D1547-N1574 PolarHBondContact OD1-ND2 2.98Å; V1548-N1574 PolarHBondContact N-OD1 2.74Å; V1548-N1574 VanDerWaalsContact N-OD1 3.08Å; P1550-N1574 WeakPolarHBondContact CG-O 3.16Å; D1572-N1574 PolarHBondContact O-N 2.86Å; D1572-N1574 WeakPolarHBondContact OD1-CA 3.04Å; D1572-N1574 PolarHBondContact OD1-N 2.87Å |
| 1575 | T | 83.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123.8 | -176 | -55.5 | 0 | 0 | 0 | 0 | 113 | C1541 S1542 I1571 D1572 | C1541-T1575 CarbonylContact O-C 3.48Å; C1541-T1575 WeakPolarHBondContact O-CA 3.47Å; S1542-T1575 VanDerWaalsContact OG-CG2 3.23Å; S1542-T1575 WeakPolarHBondContact OG-CG2 3.43Å; S1542-T1575 PolarHBondContact OG-OG1 2.72Å; I1571-T1575 HydrophobicContact CB-CG2 4.18Å; I1571-T1575 HydrophobicContact CD1-CG2 4.33Å; I1571-T1575 PolarHBondContact N-O 2.95Å; D1572-T1575 PolarHBondContact O-N 2.81Å; D1572-T1575 VanDerWaalsContact O-N 3.14Å; D1572-T1575 WeakPolarHBondContact OD1-CB 3.39Å; D1572-T1575 PolarHBondContact OD1-N 2.9Å; D1572-T1575 PolarHBondContact OD1-OG1 3.46Å; D1572-T1575 VanDerWaalsContact OD1-OG1 3.06Å; D1572-T1575 VanDerWaalsContact OD2-CB 3.27Å; D1572-T1575 WeakPolarHBondContact OD2-CB 3.39Å; D1572-T1575 PolarHBondContact OD2-OG1 3.48Å |
| 1576 | V | 86.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.1 | -178.6 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | C1541 P1550 V1552 V1568 R1570 | C1541-V1576 PolarHBondContact N-O 3.37Å; C1541-V1576 PolarHBondContact O-N 2.72Å; P1550-V1576 HydrophobicContact CB-CB 4.27Å; P1550-V1576 HydrophobicContact CB-CG2 3.92Å; P1550-V1576 HydrophobicContact CG-CB 4.39Å; P1550-V1576 HydrophobicContact CG-CG2 3.86Å; V1552-V1576 HydrophobicContact CG2-CG1 4.31Å; V1568-V1576 HydrophobicContact CG1-CG1 3.32Å; R1570-V1576 HydrophobicContact CG-CG2 4.26Å |
| 1577 | S | 88.2 | Confident | 78.9 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 142.2 | 172.5 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | F1539 V1568 T1569 | F1539-S1577 CarbonylContact O-C 3.57Å; F1539-S1577 WeakPolarHBondContact O-CA 3.16Å; F1539-S1577 WeakPolarHBondContact O-CB 3.31Å; F1539-S1577 PolarHBondContact O-OG 3.11Å; V1568-S1577 CarbonylContact C-O 3.56Å; V1568-S1577 WeakPolarHBondContact CA-O 3.5Å; T1569-S1577 PolarHBondContact N-O 2.77Å; T1569-S1577 PolarHBondContact O-N 2.77Å |
| 1578 | V | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.9 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | K1538 F1539 V1552 V1560 F1566 V1568 | K1538-V1578 CarbonylContact C-O 3.55Å; K1538-V1578 WeakPolarHBondContact CA-O 3.2Å; K1538-V1578 VanDerWaalsContact CB-O 3.28Å; K1538-V1578 WeakPolarHBondContact CB-O 3.47Å; F1539-V1578 HydrophobicContact CD1-CB 4.32Å; F1539-V1578 HydrophobicContact CD2-CB 4.16Å; F1539-V1578 HydrophobicContact CD2-CG2 4.28Å; F1539-V1578 HydrophobicContact CE1-CB 3.89Å; F1539-V1578 HydrophobicContact CE1-CG1 4.07Å; F1539-V1578 HydrophobicContact CE1-CG2 4.45Å; F1539-V1578 HydrophobicContact CE2-CB 3.69Å; F1539-V1578 HydrophobicContact CE2-CG2 3.51Å; F1539-V1578 HydrophobicContact CG-CB 4.45Å; F1539-V1578 HydrophobicContact CZ-CB 3.56Å; F1539-V1578 HydrophobicContact CZ-CG1 3.95Å; F1539-V1578 HydrophobicContact CZ-CG2 3.63Å; F1539-V1578 PolarHBondContact N-O 2.84Å; F1539-V1578 PolarHBondContact O-N 3.46Å; V1552-V1578 HydrophobicContact CB-CG2 4.49Å; V1552-V1578 HydrophobicContact CG1-CG2 4.44Å; V1552-V1578 HydrophobicContact CG2-CG2 4.16Å; V1560-V1578 HydrophobicContact CG1-CG1 3.84Å; F1566-V1578 HydrophobicContact CB-CG1 4.06Å; F1566-V1578 HydrophobicContact CD1-CG1 4.21Å; V1568-V1578 HydrophobicContact CG2-CG2 4.4Å |
| 1579 | E | 86.5 | Confident | 77.3 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.4 | 179.2 | 178.1 | -166.8 | -170.9 | 0 | 0 | 110.8 | W1537 K1538 F1566 R1567 I1581 | W1537-E1579 CarbonylContact O-C 3.56Å; W1537-E1579 WeakPolarHBondContact O-CA 3.06Å; K1538-E1579 HydrophobicContact CB-CB 3.93Å; K1538-E1579 HydrophobicContact CB-CG 4.3Å; F1566-E1579 CarbonylContact C-O 3.59Å; F1566-E1579 WeakPolarHBondContact CA-O 3.33Å; R1567-E1579 HydrophobicContact CB-CB 4.35Å; R1567-E1579 IonicContact CZ-OE2 2.65Å; R1567-E1579 PolarHBondContact N-O 3.23Å; R1567-E1579 IonicContact NE-OE2 2.99Å; R1567-E1579 IonicContact NH1-OE1 3.38Å; R1567-E1579 IonicContact NH1-OE2 3.04Å; R1567-E1579 PolarHBondContact NH1-OE2 3.12Å; R1567-E1579 PolarHBondContact O-N 3.2Å; E1579-I1581 HydrophobicContact CB-CG2 4.49Å; E1579-I1581 HydrophobicContact CG-CG2 3.98Å; E1579-I1581 PolarHBondContact O-N 3.39Å |
| 1580 | A | 82.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 91.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1537 N1565 F1566 H1582 G1583 | W1537-A1580 HydrophobicContact CD2-CB 3.67Å; W1537-A1580 HydrophobicContact CE3-CB 4.15Å; W1537-A1580 HydrophobicContact CG-CB 4.18Å; W1537-A1580 HydrophobicContact CH2-CB 3.97Å; W1537-A1580 HydrophobicContact CZ2-CB 3.45Å; W1537-A1580 VanDerWaalsContact CZ2-CB 3.45Å; W1537-A1580 HydrophobicContact CZ3-CB 4.28Å; W1537-A1580 PolarHBondContact O-N 3.24Å; N1565-A1580 WeakPolarHBondContact O-CA 3.44Å; F1566-A1580 HydrophobicContact CD1-CB 4.09Å; F1566-A1580 HydrophobicContact CE1-CB 4.11Å; A1580-H1582 PolarHBondContact O-N 2.92Å; A1580-G1583 PolarHBondContact O-N 3.38Å |
| 1581 | I | 77.9 | Confident | 77 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -68.2 | -7 | -169.6 | 50.3 | 160.9 | 0 | 0 | 0 | 115.3 | R1536 N1565 R1567 E1579 | R1536-I1581 VanDerWaalsContact CZ-O 3.24Å; R1536-I1581 PolarHBondContact NE-O 2.86Å; R1536-I1581 PolarHBondContact NH2-O 3.02Å; N1565-I1581 WeakPolarHBondContact O-CG1 3.37Å; N1565-I1581 PolarHBondContact O-N 3.4Å; N1565-I1581 VanDerWaalsContact O-N 3.16Å; R1567-I1581 HydrophobicContact CB-CG2 3.62Å; E1579-I1581 HydrophobicContact CB-CG2 4.49Å; E1579-I1581 HydrophobicContact CG-CG2 3.98Å; E1579-I1581 PolarHBondContact O-N 3.39Å |
| 1582 | H | 71.5 | Confident | 77.3 | Confident | 88 Ų | 88 | 40.5 Ų | 40.5 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -124.3 | -11.7 | 173.6 | -67.3 | -69.6 | 0 | 0 | 0 | 113.8 | Y1534 A1580 P1647 Y1648 | Y1534-H1582 CarbonylContact C-O 3.59Å; A1580-H1582 PolarHBondContact O-N 2.92Å; H1582-P1647 HydrophobicContact CB-CG 3.67Å; H1582-Y1648 PolarHBondContact O-OH 2.02Å |
| 1583 | G | 78.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | trans | 80.7 | -167.5 | -164 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1535 A1580 | E1535-G1583 WeakPolarHBondContact O-CA 3.38Å; A1580-G1583 PolarHBondContact O-N 3.38Å | ||
| 1584 | L | 75.9 | Confident | 78.8 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 165.6 | 179.8 | -68.8 | 175.9 | 0 | 0 | 0 | 110.3 | P1533 Y1534 W1537 F1566 F1591 V1607 V1609 | P1533-L1584 CarbonylContact C-O 3.54Å; P1533-L1584 VanDerWaalsContact CA-O 3.27Å; P1533-L1584 WeakPolarHBondContact CA-O 2.99Å; Y1534-L1584 PolarHBondContact N-O 3.21Å; W1537-L1584 HydrophobicContact CZ2-CD1 3.79Å; W1537-L1584 HydrophobicContact CZ2-CG 4.28Å; F1566-L1584 HydrophobicContact CE1-CD2 4.46Å; F1566-L1584 HydrophobicContact CZ-CD2 3.99Å; L1584-F1591 HydrophobicContact CB-CE2 4.46Å; L1584-F1591 HydrophobicContact CD1-CB 4.18Å; L1584-F1591 HydrophobicContact CD1-CD1 4.46Å; L1584-F1591 HydrophobicContact CD1-CD2 3.61Å; L1584-F1591 HydrophobicContact CD1-CE2 3.97Å; L1584-F1591 HydrophobicContact CD1-CG 3.86Å; L1584-F1591 HydrophobicContact CD2-CE1 4.45Å; L1584-F1591 HydrophobicContact CD2-CE2 4.4Å; L1584-F1591 HydrophobicContact CD2-CZ 4.28Å; L1584-V1607 HydrophobicContact CD1-CG1 4.13Å; L1584-V1609 HydrophobicContact CB-CG1 4.26Å; L1584-V1609 HydrophobicContact CB-CG2 3.6Å; L1584-V1609 HydrophobicContact CD1-CG2 3.77Å; L1584-V1609 HydrophobicContact CG-CG2 4.35Å |
| 1585 | T | 73.5 | Confident | 79.3 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | trans | -113.5 | 167.3 | 169.2 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | Y1534 K1587 Y1648 | Y1534-T1585 HydrophobicContact CD1-CG2 4.38Å; Y1534-T1585 HydrophobicContact CE1-CG2 3.76Å; Y1534-T1585 HydrophobicContact CE2-CG2 4.16Å; T1585-K1587 PolarHBondContact O-N 3.36Å; T1585-Y1648 HydrophobicContact CG2-CD1 3.35Å; T1585-Y1648 HydrophobicContact CG2-CD2 3.76Å; T1585-Y1648 HydrophobicContact CG2-CE1 3.78Å; T1585-Y1648 HydrophobicContact CG2-CE2 4.15Å; T1585-Y1648 HydrophobicContact CG2-CG 3.3Å; T1585-Y1648 WeakPolarHBondContact OG1-CB 3.29Å; T1585-Y1648 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 1586 | E | 70.1 | Confident | 79.5 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 8.7 | -176.8 | -52.3 | 172.7 | 154.7 | 0 | 0 | 114.9 | P1533 K1588 R1611 R1612 F1618 M1619 | P1533-E1586 HydrophobicContact CB-CG 4.27Å; P1533-E1586 HydrophobicContact CG-CG 3.71Å; E1586-K1588 VanDerWaalsContact C-N 3.28Å; E1586-K1588 PolarHBondContact O-N 3.39Å; E1586-R1611 HydrophobicContact CG-CB 4.43Å; E1586-R1611 WeakPolarHBondContact OE1-CA 3.36Å; E1586-R1612 PolarHBondContact OE1-N 2.71Å; E1586-F1618 HydrophobicContact CB-CD1 3.76Å; E1586-F1618 HydrophobicContact CB-CE1 4.28Å; E1586-F1618 WeakPolarHBondContact O-CE1 3.34Å; E1586-F1618 VanDerWaalsContact OE2-CA 3.27Å; E1586-F1618 WeakPolarHBondContact OE2-CA 3.3Å; E1586-M1619 PolarHBondContact OE2-N 2.9Å |
| 1587 | K | 65.6 | Low | 79.2 | Confident | 90 Ų | 90 | 33.4 Ų | 33.4 | 39% | 0.391 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.8 | -178.7 | -111.7 | 177.9 | -171.3 | 169 | 0 | 113.8 | T1585 F1618 C1632 Y1648 | T1585-K1587 PolarHBondContact O-N 3.36Å; K1587-F1618 HydrophobicContact CG-CE1 4.4Å; K1587-F1618 HydrophobicContact CG-CE2 3.92Å; K1587-F1618 HydrophobicContact CG-CZ 3.73Å; K1587-C1632 PolarHBondContact NZ-SG 2.87Å; K1587-Y1648 PolarHBondContact NZ-O 2.61Å |
| 1588 | K | 62.8 | Low | 78.2 | Confident | 132 Ų | 132 | 37.8 Ų | 37.8 | 57% | 0.574 | 18% | 0.18 | S | C | * | . | trans | -141.5 | 136.5 | 159.5 | -67 | -172 | 172.1 | -167.8 | 0 | 107.6 | E1586 F1591 | E1586-K1588 VanDerWaalsContact C-N 3.28Å; E1586-K1588 PolarHBondContact O-N 3.39Å; K1588-F1591 HydrophobicContact CB-CD2 4.01Å; K1588-F1591 HydrophobicContact CB-CE2 3.64Å; K1588-F1591 HydrophobicContact CB-CZ 3.95Å; K1588-F1591 HydrophobicContact CD-CE1 4.48Å; K1588-F1591 HydrophobicContact CG-CZ 4.4Å; K1588-F1591 VanDerWaalsContact O-CE2 3.31Å; K1588-F1591 WeakPolarHBondContact O-CE2 3.01Å | ||
| 1589 | E | 69.4 | Low | 77.3 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -80.1 | -26.2 | -177.8 | -72.8 | 161 | -174.9 | 0 | 0 | 111.7 | Q1106 F1608 V1609 R1611 H1615 | Q1106-E1589 PolarHBondContact NE2-OE1 3.3Å; Q1106-E1589 VanDerWaalsContact NE2-OE1 3.07Å; Q1106-E1589 PolarHBondContact NE2-OE2 3.41Å; E1589-F1608 VanDerWaalsContact O-CA 3.32Å; E1589-F1608 WeakPolarHBondContact O-CA 3.26Å; E1589-V1609 PolarHBondContact O-N 2.75Å; E1589-R1611 IonicContact OE1-CZ 2.82Å; E1589-R1611 IonicContact OE1-NE 3.15Å; E1589-R1611 PolarHBondContact OE1-NE 3.2Å; E1589-R1611 IonicContact OE1-NH2 3.46Å; E1589-H1615 IonicContact OE1-CE1 3.82Å |
| 1590 | R | 77.7 | Confident | 76.4 | Confident | 119 Ų | 119 | 40.9 Ų | 40.9 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.5 | 169.2 | 176.7 | 178.9 | 169 | 173.9 | -1.8 | 110.5 | S1592 E1604 D1606 V1607 F1608 | R1590-S1592 PolarHBondContact NE-OG 2.9Å; R1590-S1592 VanDerWaalsContact NE-OG 3.11Å; R1590-E1604 IonicContact CZ-OE1 3.4Å; R1590-E1604 IonicContact NH2-OE1 2.79Å; R1590-E1604 PolarHBondContact NH2-OE1 2.85Å; R1590-D1606 IonicContact CZ-OD1 3.5Å; R1590-D1606 VanDerWaalsContact CZ-OD1 3.31Å; R1590-D1606 IonicContact CZ-OD2 2.69Å; R1590-D1606 IonicContact NE-OD1 3.62Å; R1590-D1606 PolarHBondContact NE-OD1 3.02Å; R1590-D1606 IonicContact NE-OD2 2.66Å; R1590-D1606 PolarHBondContact NE-OD2 3.03Å; R1590-D1606 VanDerWaalsContact NE-OD2 3.13Å; R1590-D1606 IonicContact NH1-OD2 3.34Å; R1590-D1606 IonicContact NH2-OD1 3.13Å; R1590-D1606 PolarHBondContact NH2-OD1 2.83Å; R1590-D1606 IonicContact NH2-OD2 2.78Å; R1590-D1606 PolarHBondContact NH2-OD2 2.8Å; R1590-V1607 CarbonylContact C-O 3.48Å; R1590-V1607 WeakPolarHBondContact CA-O 3.5Å; R1590-F1608 HydrophobicContact CB-CD1 4.1Å; R1590-F1608 HydrophobicContact CB-CE1 3.81Å; R1590-F1608 HydrophobicContact CG-CD1 4.48Å; R1590-F1608 HydrophobicContact CG-CE1 3.88Å; R1590-F1608 HydrophobicContact CG-CZ 4.2Å |
| 1591 | F | 78.7 | Confident | 76 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 167.7 | -79.9 | -99.5 | 0 | 0 | 0 | 109.8 | L1584 K1588 F1593 V1607 V1609 | L1584-F1591 HydrophobicContact CB-CE2 4.46Å; L1584-F1591 HydrophobicContact CD1-CB 4.18Å; L1584-F1591 HydrophobicContact CD1-CD1 4.46Å; L1584-F1591 HydrophobicContact CD1-CD2 3.61Å; L1584-F1591 HydrophobicContact CD1-CE2 3.97Å; L1584-F1591 HydrophobicContact CD1-CG 3.86Å; L1584-F1591 HydrophobicContact CD2-CE1 4.45Å; L1584-F1591 HydrophobicContact CD2-CE2 4.4Å; L1584-F1591 HydrophobicContact CD2-CZ 4.28Å; K1588-F1591 HydrophobicContact CB-CD2 4.01Å; K1588-F1591 HydrophobicContact CB-CE2 3.64Å; K1588-F1591 HydrophobicContact CB-CZ 3.95Å; K1588-F1591 HydrophobicContact CD-CE1 4.48Å; K1588-F1591 HydrophobicContact CG-CZ 4.4Å; K1588-F1591 VanDerWaalsContact O-CE2 3.31Å; K1588-F1591 WeakPolarHBondContact O-CE2 3.01Å; F1591-F1593 HydrophobicContact CB-CE2 4.02Å; F1591-F1593 HydrophobicContact CB-CZ 4.42Å; F1591-V1607 HydrophobicContact CB-CB 4.4Å; F1591-V1607 PolarHBondContact N-O 2.78Å; F1591-V1607 PolarHBondContact O-N 3.48Å; F1591-V1609 HydrophobicContact CD2-CG2 4.23Å; F1591-V1609 HydrophobicContact CE2-CG2 4.45Å |
| 1592 | S | 84.3 | Confident | 76.2 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.9 | -175.4 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | Q1555 R1590 E1604 I1605 D1606 | Q1555-S1592 PolarHBondContact N-O 3.2Å; R1590-S1592 PolarHBondContact NE-OG 2.9Å; R1590-S1592 VanDerWaalsContact NE-OG 3.11Å; S1592-E1604 VanDerWaalsContact CB-OE1 3.24Å; S1592-E1604 WeakPolarHBondContact CB-OE1 3.29Å; S1592-E1604 PolarHBondContact OG-OE1 2.86Å; S1592-I1605 WeakPolarHBondContact CA-O 3.47Å; S1592-D1606 WeakPolarHBondContact CB-OD1 3.27Å; S1592-D1606 PolarHBondContact OG-OD1 2.83Å |
| 1593 | F | 88.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.7 | 177.3 | -53.7 | -99.1 | 0 | 0 | 0 | 108.9 | W1537 F1539 V1552 F1554 V1560 F1566 F1591 E1604 I1605 V1607 | W1537-F1593 AromaticContact CH2-CE2 3.82Å; W1537-F1593 HydrophobicContact CH2-CE2 3.82Å; W1537-F1593 AromaticContact CH2-CZ 3.76Å; W1537-F1593 HydrophobicContact CH2-CZ 3.76Å; W1537-F1593 HydrophobicContact CZ2-CE2 4.38Å; W1537-F1593 HydrophobicContact CZ2-CZ 4.3Å; F1539-F1593 HydrophobicContact CE1-CB 4.47Å; F1539-F1593 HydrophobicContact CE1-CD2 4.24Å; F1539-F1593 HydrophobicContact CE1-CG 4.23Å; F1539-F1593 HydrophobicContact CZ-CB 4.21Å; F1539-F1593 HydrophobicContact CZ-CG 4.33Å; V1552-F1593 HydrophobicContact CG1-CB 4.39Å; F1554-F1593 AromaticContact CD1-CD1 3.85Å; F1554-F1593 HydrophobicContact CD1-CD1 3.85Å; F1554-F1593 AromaticContact CD1-CE1 3.65Å; F1554-F1593 HydrophobicContact CD1-CE1 3.65Å; F1554-F1593 HydrophobicContact CD1-CZ 4.4Å; F1554-F1593 AromaticContact CE1-CD1 3.92Å; F1554-F1593 HydrophobicContact CE1-CD1 3.92Å; F1554-F1593 AromaticContact CE1-CE1 3.27Å; F1554-F1593 HydrophobicContact CE1-CE1 3.27Å; F1554-F1593 AromaticContact CE1-CZ 3.98Å; F1554-F1593 HydrophobicContact CE1-CZ 3.98Å; F1554-F1593 AromaticContact CZ-CE1 3.99Å; F1554-F1593 HydrophobicContact CZ-CE1 3.99Å; V1560-F1593 HydrophobicContact CG1-CD1 4.5Å; V1560-F1593 HydrophobicContact CG1-CE1 4.46Å; V1560-F1593 HydrophobicContact CG2-CD1 3.69Å; V1560-F1593 HydrophobicContact CG2-CE1 4.29Å; F1566-F1593 HydrophobicContact CD1-CE1 4.14Å; F1566-F1593 HydrophobicContact CD1-CZ 4.22Å; F1566-F1593 AromaticContact CE1-CE1 3.73Å; F1566-F1593 HydrophobicContact CE1-CE1 3.73Å; F1566-F1593 AromaticContact CE1-CZ 3.45Å; F1566-F1593 HydrophobicContact CE1-CZ 3.45Å; F1566-F1593 VanDerWaalsContact CE1-CZ 3.45Å; F1566-F1593 HydrophobicContact CE2-CE1 4.42Å; F1566-F1593 AromaticContact CZ-CE1 3.87Å; F1566-F1593 HydrophobicContact CZ-CE1 3.87Å; F1566-F1593 AromaticContact CZ-CZ 3.69Å; F1566-F1593 HydrophobicContact CZ-CZ 3.69Å; F1591-F1593 HydrophobicContact CB-CE2 4.02Å; F1591-F1593 HydrophobicContact CB-CZ 4.42Å; F1593-E1604 CarbonylContact O-C 3.42Å; F1593-E1604 WeakPolarHBondContact O-CA 3.4Å; F1593-I1605 HydrophobicContact CB-CB 4.23Å; F1593-I1605 HydrophobicContact CB-CD1 4.39Å; F1593-I1605 PolarHBondContact N-O 3.01Å; F1593-I1605 PolarHBondContact O-N 3.08Å; F1593-V1607 HydrophobicContact CD2-CG2 4.03Å; F1593-V1607 HydrophobicContact CE2-CB 4.28Å; F1593-V1607 HydrophobicContact CE2-CG2 3.62Å |
| 1594 | I | 88.2 | Confident | 76.8 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127 | 177.5 | -63 | 168.3 | 0 | 0 | 0 | 108.3 | V1552 K1553 E1602 E1603 | V1552-I1594 WeakPolarHBondContact CA-O 3.38Å; K1553-I1594 HydrophobicContact CD-CB 4.47Å; K1553-I1594 HydrophobicContact CD-CG2 4.48Å; K1553-I1594 VanDerWaalsContact CE-CG2 3.45Å; K1553-I1594 HydrophobicContact CG-CB 3.82Å; K1553-I1594 HydrophobicContact CG-CG2 4.23Å; K1553-I1594 PolarHBondContact N-O 3.16Å; K1553-I1594 PolarHBondContact O-N 2.72Å; I1594-E1602 HydrophobicContact CG2-CB 3.65Å; I1594-E1602 HydrophobicContact CG2-CG 4.16Å; I1594-E1603 CarbonylContact C-O 3.51Å; I1594-E1603 VanDerWaalsContact CA-O 3.31Å; I1594-E1603 WeakPolarHBondContact CA-O 3.37Å |
| 1595 | C | 89 | Confident | 77.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133 | 167.2 | -164.1 | 0 | 0 | 0 | 0 | 110.3 | I1522 V1524 C1541 I1551 E1603 I1605 | I1522-C1595 WeakPolarHBondContact CD1-O 3.26Å; I1522-C1595 HydrophobicContact CG2-CB 4.1Å; V1524-C1595 HydrophobicContact CG2-CB 4.43Å; C1541-C1595 HydrophobicContact CB-CB 3.92Å; C1541-C1595 WeakPolarHBondContact CB-SG 3.29Å; C1541-C1595 WeakPolarHBondContact SG-CB 3.18Å; C1541-C1595 CovalentContact SG-SG 2.03Å; C1541-C1595 PolarHBondContact SG-SG 3.32Å; I1551-C1595 WeakPolarHBondContact O-CA 3.34Å; C1595-E1603 PolarHBondContact N-O 3.07Å; C1595-E1603 PolarHBondContact O-N 2.87Å; C1595-I1605 HydrophobicContact CB-CD1 4.18Å |
| 1596 | T | 87.6 | Confident | 77.7 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | -178.4 | -177.2 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | I1522 I1551 P1601 | I1522-T1596 VanDerWaalsContact CD1-CA 3.48Å; I1551-T1596 HydrophobicContact CB-CG2 4.17Å; I1551-T1596 HydrophobicContact CG2-CG2 4.41Å; I1551-T1596 PolarHBondContact N-O 2.61Å; I1551-T1596 PolarHBondContact O-N 3.19Å; T1596-P1601 WeakPolarHBondContact CA-O 3.44Å; T1596-P1601 WeakPolarHBondContact CB-O 3.22Å; T1596-P1601 PolarHBondContact OG1-O 3.23Å |
| 1597 | F | 80.7 | Confident | 78.3 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | trans | -147.7 | 166.5 | 166.6 | 61.9 | -95.4 | 0 | 0 | 0 | 109.4 | V1520 I1522 V1543 V1548 G1599 G1600 P1601 | V1520-F1597 HydrophobicContact CB-CE1 4.25Å; V1520-F1597 HydrophobicContact CB-CE2 4.38Å; V1520-F1597 HydrophobicContact CB-CZ 3.65Å; V1520-F1597 HydrophobicContact CG1-CD1 4.47Å; V1520-F1597 HydrophobicContact CG1-CE1 3.62Å; V1520-F1597 HydrophobicContact CG1-CE2 4.05Å; V1520-F1597 HydrophobicContact CG1-CZ 3.38Å; I1522-F1597 HydrophobicContact CD1-CD1 3.78Å; I1522-F1597 HydrophobicContact CD1-CE1 4.05Å; I1522-F1597 HydrophobicContact CG1-CD1 3.89Å; I1522-F1597 HydrophobicContact CG1-CE1 3.88Å; V1543-F1597 HydrophobicContact CG1-CD1 4.31Å; V1543-F1597 HydrophobicContact CG1-CE1 4.44Å; V1543-F1597 HydrophobicContact CG2-CB 4.33Å; V1543-F1597 HydrophobicContact CG2-CD1 3.73Å; V1543-F1597 HydrophobicContact CG2-CE1 4.47Å; V1543-F1597 HydrophobicContact CG2-CG 4.35Å; V1548-F1597 HydrophobicContact CG1-CB 3.88Å; V1548-F1597 HydrophobicContact CG1-CD2 4.01Å; V1548-F1597 HydrophobicContact CG1-CG 4.16Å; F1597-G1599 PolarHBondContact O-N 3.38Å; F1597-G1600 PolarHBondContact O-N 3.18Å; F1597-P1601 HydrophobicContact CE1-CG 4.42Å | ||
| 1598 | P | 67.3 | Low | 79 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 108.6 | -175.1 | -26.3 | 36.5 | 0 | 0 | 0 | 113.1 | I1551 | I1551-P1598 HydrophobicContact CD1-CG 3.87Š|
| 1599 | G | 66.5 | Low | 79.6 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 94% | 0.938 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 14.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1597 | F1597-G1599 PolarHBondContact O-N 3.38Š|
| 1600 | G | 67.9 | Low | 79.8 | Confident | 21 Ų | 21 | 49 Ų | 49 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | trans | -96.3 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1597 | F1597-G1600 PolarHBondContact O-N 3.18Š| ||
| 1601 | P | 74.3 | Confident | 79.6 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 41% | 0.409 | 25% | 0.25 | S | C | . | . | trans | -66.3 | 174.8 | 169 | 30.5 | -36 | 0 | 0 | 0 | 112.3 | I1522 T1596 F1597 | I1522-P1601 HydrophobicContact CD1-CG 4.15Å; I1522-P1601 WeakPolarHBondContact CD1-O 3.39Å; I1522-P1601 HydrophobicContact CG1-CG 4.28Å; T1596-P1601 WeakPolarHBondContact CA-O 3.44Å; T1596-P1601 WeakPolarHBondContact CB-O 3.22Å; T1596-P1601 PolarHBondContact OG1-O 3.23Å; F1597-P1601 HydrophobicContact CE1-CG 4.42Å | ||
| 1602 | E | 81.8 | Confident | 79.4 | Confident | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | trans | -125.2 | 116.6 | 178.5 | -61.2 | -153.4 | 167.5 | 0 | 0 | 109.3 | K1553 I1594 | K1553-E1602 VanDerWaalsContact CE-OE2 3.27Å; K1553-E1602 WeakPolarHBondContact CE-OE2 3.08Å; K1553-E1602 IonicContact NZ-OE1 3.28Å; K1553-E1602 PolarHBondContact NZ-OE1 2.63Å; K1553-E1602 IonicContact NZ-OE2 2.73Å; K1553-E1602 PolarHBondContact NZ-OE2 3.48Å; I1594-E1602 HydrophobicContact CG2-CB 3.65Å; I1594-E1602 HydrophobicContact CG2-CG 4.16Å | ||
| 1603 | E | 81.8 | Confident | 78.9 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.3 | 177.1 | -72.8 | -68.4 | 170.6 | 0 | 0 | 110.3 | I1522 V1524 I1594 C1595 | I1522-E1603 HydrophobicContact CB-CB 4.4Å; I1522-E1603 HydrophobicContact CB-CG 3.67Å; I1522-E1603 HydrophobicContact CG2-CB 4.03Å; I1522-E1603 HydrophobicContact CG2-CG 3.81Å; V1524-E1603 HydrophobicContact CG2-CB 4.4Å; I1594-E1603 CarbonylContact C-O 3.51Å; I1594-E1603 VanDerWaalsContact CA-O 3.31Å; I1594-E1603 WeakPolarHBondContact CA-O 3.37Å; C1595-E1603 PolarHBondContact N-O 3.07Å; C1595-E1603 PolarHBondContact O-N 2.87Å |
| 1604 | E | 81.1 | Confident | 78.2 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 145.6 | -179.4 | -163.5 | 174.3 | 138.1 | 0 | 0 | 112.3 | R1590 S1592 F1593 | R1590-E1604 IonicContact CZ-OE1 3.4Å; R1590-E1604 IonicContact NH2-OE1 2.79Å; R1590-E1604 PolarHBondContact NH2-OE1 2.85Å; S1592-E1604 VanDerWaalsContact CB-OE1 3.24Å; S1592-E1604 WeakPolarHBondContact CB-OE1 3.29Å; S1592-E1604 PolarHBondContact OG-OE1 2.86Å; F1593-E1604 CarbonylContact O-C 3.42Å; F1593-E1604 WeakPolarHBondContact O-CA 3.4Å |
| 1605 | I | 84.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 119.5 | -171.7 | -43.5 | 170.6 | 0 | 0 | 0 | 107.9 | V1524 D1527 F1539 S1592 F1593 C1595 | V1524-I1605 HydrophobicContact CB-CD1 4.28Å; V1524-I1605 HydrophobicContact CB-CG1 4.25Å; V1524-I1605 HydrophobicContact CG1-CB 4.49Å; V1524-I1605 HydrophobicContact CG1-CD1 3.54Å; V1524-I1605 HydrophobicContact CG1-CG1 3.77Å; V1524-I1605 HydrophobicContact CG1-CG2 3.94Å; V1524-I1605 HydrophobicContact CG2-CD1 3.79Å; V1524-I1605 HydrophobicContact CG2-CG1 3.87Å; D1527-I1605 WeakPolarHBondContact O-CA 3.17Å; D1527-I1605 WeakPolarHBondContact O-CG2 3.27Å; F1539-I1605 HydrophobicContact CD1-CG2 3.92Å; F1539-I1605 HydrophobicContact CD2-CD1 3.91Å; F1539-I1605 HydrophobicContact CE1-CD1 4.27Å; F1539-I1605 HydrophobicContact CE1-CG2 4.07Å; F1539-I1605 HydrophobicContact CE2-CD1 3.41Å; F1539-I1605 VanDerWaalsContact CE2-CD1 3.41Å; F1539-I1605 HydrophobicContact CG-CG2 4.2Å; F1539-I1605 HydrophobicContact CZ-CD1 3.61Å; F1539-I1605 HydrophobicContact CZ-CG2 4.47Å; S1592-I1605 WeakPolarHBondContact CA-O 3.47Å; F1593-I1605 HydrophobicContact CB-CB 4.23Å; F1593-I1605 HydrophobicContact CB-CD1 4.39Å; F1593-I1605 PolarHBondContact N-O 3.01Å; F1593-I1605 PolarHBondContact O-N 3.08Å; C1595-I1605 HydrophobicContact CB-CD1 4.18Å |
| 1606 | D | 83.6 | Confident | 76.3 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | -171.9 | -83.3 | -31.5 | 0 | 0 | 0 | 113.4 | D1527 V1528 I1529 R1590 S1592 F1608 | D1527-D1606 PolarHBondContact O-N 3.4Å; D1527-D1606 VanDerWaalsContact O-N 3.12Å; V1528-D1606 CarbonylContact C-O 3.5Å; V1528-D1606 WeakPolarHBondContact CA-O 3.34Å; I1529-D1606 PolarHBondContact N-O 3.05Å; R1590-D1606 IonicContact CZ-OD1 3.5Å; R1590-D1606 VanDerWaalsContact CZ-OD1 3.31Å; R1590-D1606 IonicContact CZ-OD2 2.69Å; R1590-D1606 IonicContact NE-OD1 3.62Å; R1590-D1606 PolarHBondContact NE-OD1 3.02Å; R1590-D1606 IonicContact NE-OD2 2.66Å; R1590-D1606 PolarHBondContact NE-OD2 3.03Å; R1590-D1606 VanDerWaalsContact NE-OD2 3.13Å; R1590-D1606 IonicContact NH1-OD2 3.34Å; R1590-D1606 IonicContact NH2-OD1 3.13Å; R1590-D1606 PolarHBondContact NH2-OD1 2.83Å; R1590-D1606 IonicContact NH2-OD2 2.78Å; R1590-D1606 PolarHBondContact NH2-OD2 2.8Å; S1592-D1606 WeakPolarHBondContact CB-OD1 3.27Å; S1592-D1606 PolarHBondContact OG-OD1 2.83Å; D1606-F1608 HydrophobicContact CB-CD2 4.41Å; D1606-F1608 HydrophobicContact CB-CE2 3.62Å; D1606-F1608 HydrophobicContact CB-CZ 4Å |
| 1607 | V | 83.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.5 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | I1529 T1531 W1537 L1584 R1590 F1591 F1593 | I1529-V1607 HydrophobicContact CB-CB 4.48Å; I1529-V1607 HydrophobicContact CB-CG1 4.18Å; I1529-V1607 HydrophobicContact CB-CG2 4.16Å; I1529-V1607 HydrophobicContact CD1-CG2 4.45Å; I1529-V1607 HydrophobicContact CG2-CG1 4.03Å; I1529-V1607 WeakPolarHBondContact O-CA 3.41Å; T1531-V1607 HydrophobicContact CG2-CG1 4.35Å; W1537-V1607 HydrophobicContact CD2-CG1 4.16Å; W1537-V1607 HydrophobicContact CE3-CG2 4.43Å; W1537-V1607 HydrophobicContact CH2-CG1 4.37Å; W1537-V1607 HydrophobicContact CH2-CG2 3.7Å; W1537-V1607 HydrophobicContact CZ2-CB 4.21Å; W1537-V1607 HydrophobicContact CZ2-CG1 3.69Å; W1537-V1607 HydrophobicContact CZ2-CG2 3.88Å; W1537-V1607 HydrophobicContact CZ3-CG2 4.01Å; L1584-V1607 HydrophobicContact CD1-CG1 4.13Å; R1590-V1607 CarbonylContact C-O 3.48Å; R1590-V1607 WeakPolarHBondContact CA-O 3.5Å; F1591-V1607 HydrophobicContact CB-CB 4.4Å; F1591-V1607 PolarHBondContact N-O 2.78Å; F1591-V1607 PolarHBondContact O-N 3.48Å; F1593-V1607 HydrophobicContact CD2-CG2 4.03Å; F1593-V1607 HydrophobicContact CE2-CB 4.28Å; F1593-V1607 HydrophobicContact CE2-CG2 3.62Å |
| 1608 | F | 79.3 | Confident | 75.8 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 25% | 0.254 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.1 | -177.9 | -65 | -81.4 | 0 | 0 | 0 | 111.7 | V1528 I1529 Y1530 T1531 E1589 R1590 D1606 | V1528-F1608 HydrophobicContact CG1-CD2 3.86Å; V1528-F1608 HydrophobicContact CG1-CE2 3.76Å; I1529-F1608 PolarHBondContact O-N 3.34Å; Y1530-F1608 HydrophobicContact CD1-CB 3.71Å; Y1530-F1608 HydrophobicContact CD1-CD2 4.23Å; Y1530-F1608 HydrophobicContact CD1-CG 4.25Å; Y1530-F1608 HydrophobicContact CE1-CB 3.96Å; Y1530-F1608 AromaticContact CE1-CD2 3.77Å; Y1530-F1608 HydrophobicContact CE1-CD2 3.77Å; Y1530-F1608 AromaticContact CE1-CG 3.99Å; Y1530-F1608 HydrophobicContact CE1-CG 3.99Å; T1531-F1608 PolarHBondContact N-O 2.79Å; E1589-F1608 VanDerWaalsContact O-CA 3.32Å; E1589-F1608 WeakPolarHBondContact O-CA 3.26Å; R1590-F1608 HydrophobicContact CB-CD1 4.1Å; R1590-F1608 HydrophobicContact CB-CE1 3.81Å; R1590-F1608 HydrophobicContact CG-CD1 4.48Å; R1590-F1608 HydrophobicContact CG-CE1 3.88Å; R1590-F1608 HydrophobicContact CG-CZ 4.2Å; D1606-F1608 HydrophobicContact CB-CD2 4.41Å; D1606-F1608 HydrophobicContact CB-CE2 3.62Å; D1606-F1608 HydrophobicContact CB-CZ 4Å |
| 1609 | V | 76.8 | Confident | 76.4 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.3 | -173.1 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | T1531 P1533 L1584 E1589 F1591 R1611 | T1531-V1609 HydrophobicContact CG2-CG2 4.16Å; P1533-V1609 HydrophobicContact CG-CG1 4.38Å; L1584-V1609 HydrophobicContact CB-CG1 4.26Å; L1584-V1609 HydrophobicContact CB-CG2 3.6Å; L1584-V1609 HydrophobicContact CD1-CG2 3.77Å; L1584-V1609 HydrophobicContact CG-CG2 4.35Å; E1589-V1609 PolarHBondContact O-N 2.75Å; F1591-V1609 HydrophobicContact CD2-CG2 4.23Å; F1591-V1609 HydrophobicContact CE2-CG2 4.45Å; V1609-R1611 PolarHBondContact O-N 3Å |
| 1610 | R | 72.9 | Confident | 77 | Confident | 170 Ų | 170 | 50.8 Ų | 50.8 | 64% | 0.642 | 24% | 0.241 | S | C | * | . | trans | -80.6 | 100 | -163.7 | -159 | 177.6 | -165.8 | -173 | 4.5 | 113.6 | T1531 P1533 | T1531-R1610 WeakPolarHBondContact O-CB 3.38Å; T1531-R1610 PolarHBondContact O-N 2.78Å; P1533-R1610 WeakPolarHBondContact CD-O 3.25Å; P1533-R1610 WeakPolarHBondContact CG-O 2.96Å | ||
| 1611 | R | 72.8 | Confident | 77.3 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | trans | -54.5 | 137.2 | 177.4 | -178.4 | -178.6 | -84.4 | -81.1 | -0.9 | 112.7 | E1586 E1589 V1609 C1613 Q1617 | E1586-R1611 HydrophobicContact CG-CB 4.43Å; E1586-R1611 WeakPolarHBondContact OE1-CA 3.36Å; E1589-R1611 IonicContact OE1-CZ 2.82Å; E1589-R1611 IonicContact OE1-NE 3.15Å; E1589-R1611 PolarHBondContact OE1-NE 3.2Å; E1589-R1611 IonicContact OE1-NH2 3.46Å; V1609-R1611 PolarHBondContact O-N 3Å; R1611-C1613 PolarHBondContact NH1-O 3.1Å; R1611-Q1617 PolarHBondContact NH1-O 3.17Å | ||
| 1612 | R | 75.3 | Confident | 77.3 | Confident | 159 Ų | 159 | 56.9 Ų | 56.9 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | trans | -127.7 | -19.1 | 179.6 | -74.7 | 175.7 | 173.2 | -105.9 | 1.6 | 114.2 | E1586 M1619 | E1586-R1612 PolarHBondContact OE1-N 2.71Å; R1612-M1619 HydrophobicContact CB-SD 3.86Å; R1612-M1619 HydrophobicContact CG-SD 4.38Å | ||
| 1613 | C | 73.7 | Confident | 76.8 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -100.9 | 153.6 | 177.8 | -75.5 | 0 | 0 | 0 | 0 | 113.7 | R1611 Q1617 M1619 C1625 | R1611-C1613 PolarHBondContact NH1-O 3.1Å; C1613-Q1617 HydrophobicContact CB-CB 4.18Å; C1613-M1619 HydrophobicContact CB-CB 4.42Å; C1613-M1619 WeakPolarHBondContact SG-CA 2.97Å; C1613-M1619 VanDerWaalsContact SG-CB 3.53Å; C1613-M1619 PolarHBondContact SG-N 3.06Å; C1613-C1625 VanDerWaalsContact CA-SG 3.6Å; C1613-C1625 HydrophobicContact CB-CB 3.79Å; C1613-C1625 WeakPolarHBondContact CB-SG 3.41Å; C1613-C1625 WeakPolarHBondContact SG-CA 3.36Å; C1613-C1625 WeakPolarHBondContact SG-CB 3.5Å; C1613-C1625 CovalentContact SG-SG 2.03Å; C1613-C1625 PolarHBondContact SG-SG 3.38Å |
| 1614 | P | 74.7 | Confident | 76.6 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -54 | 163.2 | 179.8 | -27.2 | 35 | 0 | 0 | 0 | 114.8 | G1616 Q1617 | P1614-G1616 PolarHBondContact O-N 2.82Å; P1614-Q1617 WeakPolarHBondContact O-CA 3.17Å; P1614-Q1617 WeakPolarHBondContact O-CB 3.45Å; P1614-Q1617 PolarHBondContact O-N 3.21Å; P1614-Q1617 VanDerWaalsContact O-O 3.14Å |
| 1615 | H | 69.4 | Low | 76.6 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 132.2 | 179.5 | -90.1 | -68.2 | 0 | 0 | 0 | 113.5 | Q1106 E1589 | Q1106-H1615 WeakPolarHBondContact CB-NE2 3.32Å; Q1106-H1615 WeakPolarHBondContact CG-CE1 3.43Å; Q1106-H1615 WeakPolarHBondContact CG-NE2 3.44Å; Q1106-H1615 PolarHBondContact NE2-CE1 2.82Å; Q1106-H1615 PolarHBondContact NE2-NE2 3.15Å; Q1106-H1615 VanDerWaalsContact NE2-NE2 3.16Å; Q1106-H1615 PolarHBondContact OE1-NE2 2.91Å; E1589-H1615 IonicContact OE1-CE1 3.82Å |
| 1616 | G | 67.7 | Low | 76.4 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 17 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1103 P1614 S1627 E1628 | R1103-G1616 VanDerWaalsContact CZ-CA 3.49Å; P1614-G1616 PolarHBondContact O-N 2.82Å; G1616-S1627 CarbonylContact O-C 3.54Å; G1616-S1627 VanDerWaalsContact O-CA 3.22Å; G1616-S1627 WeakPolarHBondContact O-CA 3.44Å; G1616-S1627 PolarHBondContact O-OG 2.8Å; G1616-E1628 PolarHBondContact O-N 2.82Å |
| 1617 | Q | 78.6 | Confident | 76.2 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 158 | 163.1 | -60.4 | -169.7 | -19.5 | 0 | 0 | 109.9 | R1611 C1613 P1614 C1625 R1626 | R1611-Q1617 PolarHBondContact NH1-O 3.17Å; C1613-Q1617 HydrophobicContact CB-CB 4.18Å; P1614-Q1617 WeakPolarHBondContact O-CA 3.17Å; P1614-Q1617 WeakPolarHBondContact O-CB 3.45Å; P1614-Q1617 PolarHBondContact O-N 3.21Å; P1614-Q1617 VanDerWaalsContact O-O 3.14Å; Q1617-C1625 HydrophobicContact CB-CB 4.41Å; Q1617-C1625 VanDerWaalsContact OE1-CB 3.23Å; Q1617-R1626 CarbonylContact C-O 3.54Å; Q1617-R1626 WeakPolarHBondContact CA-O 3.39Å; Q1617-R1626 WeakPolarHBondContact CB-O 3.17Å |
| 1618 | F | 78.4 | Confident | 75.6 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.8 | 166.2 | -60 | -55.6 | 0 | 0 | 0 | 110.3 | E1586 K1587 R1626 E1628 F1631 | E1586-F1618 HydrophobicContact CB-CD1 3.76Å; E1586-F1618 HydrophobicContact CB-CE1 4.28Å; E1586-F1618 WeakPolarHBondContact O-CE1 3.34Å; E1586-F1618 VanDerWaalsContact OE2-CA 3.27Å; E1586-F1618 WeakPolarHBondContact OE2-CA 3.3Å; K1587-F1618 HydrophobicContact CG-CE1 4.4Å; K1587-F1618 HydrophobicContact CG-CE2 3.92Å; K1587-F1618 HydrophobicContact CG-CZ 3.73Å; F1618-R1626 PolarHBondContact N-O 3.45Å; F1618-R1626 PolarHBondContact O-N 2.82Å; F1618-E1628 HydrophobicContact CD2-CB 4.42Å; F1618-E1628 HydrophobicContact CE2-CB 4Å; F1618-E1628 HydrophobicContact CE2-CG 3.74Å; F1618-E1628 HydrophobicContact CZ-CB 4.37Å; F1618-E1628 HydrophobicContact CZ-CG 3.91Å; F1618-F1631 HydrophobicContact CB-CD1 4.37Å; F1618-F1631 HydrophobicContact CB-CD2 4.01Å; F1618-F1631 HydrophobicContact CB-CE1 4.06Å; F1618-F1631 HydrophobicContact CB-CE2 3.63Å; F1618-F1631 HydrophobicContact CB-CG 4.37Å; F1618-F1631 HydrophobicContact CB-CZ 3.68Å; F1618-F1631 HydrophobicContact CD2-CB 4.14Å; F1618-F1631 HydrophobicContact CD2-CD1 4.37Å; F1618-F1631 AromaticContact CD2-CD2 3.91Å; F1618-F1631 HydrophobicContact CD2-CD2 3.91Å; F1618-F1631 HydrophobicContact CD2-CE2 4.41Å; F1618-F1631 AromaticContact CD2-CG 3.89Å; F1618-F1631 HydrophobicContact CD2-CG 3.89Å; F1618-F1631 HydrophobicContact CG-CD2 4.48Å |
| 1619 | M | 80.2 | Confident | 75.4 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.8 | 176 | -155.4 | -169.6 | 76.2 | 0 | 0 | 111.9 | P1533 Y1534 E1586 R1612 C1613 | P1533-M1619 HydrophobicContact CB-CE 4.08Å; Y1534-M1619 HydrophobicContact CD2-CE 3.87Å; Y1534-M1619 HydrophobicContact CE2-CE 3.91Å; Y1534-M1619 VanDerWaalsContact CE2-O 3.29Å; Y1534-M1619 WeakPolarHBondContact CE2-O 3.23Å; Y1534-M1619 PolarHBondContact OH-O 2.97Å; E1586-M1619 PolarHBondContact OE2-N 2.9Å; R1612-M1619 HydrophobicContact CB-SD 3.86Å; R1612-M1619 HydrophobicContact CG-SD 4.38Å; C1613-M1619 HydrophobicContact CB-CB 4.42Å; C1613-M1619 WeakPolarHBondContact SG-CA 2.97Å; C1613-M1619 VanDerWaalsContact SG-CB 3.53Å; C1613-M1619 PolarHBondContact SG-N 3.06Å |
| 1620 | C | 79.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -62.8 | 153.8 | 161.8 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | D1622 G1623 T1624 C1638 S1642 | C1620-D1622 VanDerWaalsContact CB-OD1 3.26Å; C1620-D1622 WeakPolarHBondContact CB-OD1 3.41Å; C1620-D1622 PolarHBondContact O-N 2.99Å; C1620-G1623 WeakPolarHBondContact O-CA 3.49Å; C1620-G1623 PolarHBondContact O-N 2.86Å; C1620-T1624 WeakPolarHBondContact CB-O 3.04Å; C1620-T1624 WeakPolarHBondContact CB-OG1 3.32Å; C1620-T1624 PolarHBondContact N-O 2.79Å; C1620-T1624 PolarHBondContact SG-OG1 3.37Å; C1620-T1624 VanDerWaalsContact SG-OG1 3.39Å; C1620-C1638 HydrophobicContact CB-CB 3.78Å; C1620-C1638 WeakPolarHBondContact CB-SG 3.15Å; C1620-C1638 WeakPolarHBondContact SG-CB 3.09Å; C1620-C1638 CovalentContact SG-SG 2.04Å; C1620-C1638 PolarHBondContact SG-SG 3.19Å; C1620-S1642 WeakPolarHBondContact CA-OG 3.25Å | ||
| 1621 | K | 74.3 | Confident | 75.3 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.7 | -178 | -177.4 | -176.3 | 170.9 | -167.7 | 0 | 114 | Y1534 D1640 S1642 | Y1534-K1621 HydrophobicContact CD1-CB 3.99Å; Y1534-K1621 HydrophobicContact CD1-CD 4.23Å; Y1534-K1621 HydrophobicContact CD1-CG 3.93Å; Y1534-K1621 HydrophobicContact CD2-CB 4.25Å; Y1534-K1621 HydrophobicContact CD2-CG 4.42Å; Y1534-K1621 HydrophobicContact CE1-CB 3.7Å; Y1534-K1621 HydrophobicContact CE1-CD 4.45Å; Y1534-K1621 HydrophobicContact CE1-CG 4.16Å; Y1534-K1621 HydrophobicContact CE2-CB 4Å; Y1534-K1621 HydrophobicContact CG-CB 4.27Å; Y1534-K1621 HydrophobicContact CG-CG 4.09Å; Y1534-K1621 PolarHBondContact OH-N 2.92Å; K1621-D1640 WeakPolarHBondContact CB-OD2 3.36Å; K1621-S1642 VanDerWaalsContact CB-CB 3.43Å; K1621-S1642 PolarHBondContact N-OG 2.97Å |
| 1622 | D | 74.2 | Confident | 75.2 | Confident | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -8.2 | 169 | 73.1 | -10.9 | 0 | 0 | 0 | 113.9 | C1620 T1624 D1640 | C1620-D1622 VanDerWaalsContact CB-OD1 3.26Å; C1620-D1622 WeakPolarHBondContact CB-OD1 3.41Å; C1620-D1622 PolarHBondContact O-N 2.99Å; D1622-T1624 WeakPolarHBondContact OD1-CB 3.22Å; D1622-T1624 PolarHBondContact OD1-N 3.31Å; D1622-T1624 PolarHBondContact OD1-OG1 2.93Å; D1622-T1624 PolarHBondContact OD2-OG1 2.79Å; D1622-D1640 HydrophobicContact CB-CB 4.14Å |
| 1623 | G | 70.9 | Confident | 74.9 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 46% | 0.464 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 93.3 | 3.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1620 | C1620-G1623 WeakPolarHBondContact O-CA 3.49Å; C1620-G1623 PolarHBondContact O-N 2.86Å |
| 1624 | T | 77.6 | Confident | 74.3 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | trans | -79.2 | 162.8 | 170.7 | 63 | 0 | 0 | 0 | 0 | 112 | C1620 D1622 P1639 | C1620-T1624 WeakPolarHBondContact CB-O 3.04Å; C1620-T1624 WeakPolarHBondContact CB-OG1 3.32Å; C1620-T1624 PolarHBondContact N-O 2.79Å; C1620-T1624 PolarHBondContact SG-OG1 3.37Å; C1620-T1624 VanDerWaalsContact SG-OG1 3.39Å; D1622-T1624 WeakPolarHBondContact OD1-CB 3.22Å; D1622-T1624 PolarHBondContact OD1-N 3.31Å; D1622-T1624 PolarHBondContact OD1-OG1 2.93Å; D1622-T1624 PolarHBondContact OD2-OG1 2.79Å; T1624-P1639 HydrophobicContact CG2-CG 4.3Å; T1624-P1639 WeakPolarHBondContact OG1-CD 3.32Å | ||
| 1625 | C | 81 | Confident | 73.5 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.9 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | C1613 Q1617 | C1613-C1625 VanDerWaalsContact CA-SG 3.6Å; C1613-C1625 HydrophobicContact CB-CB 3.79Å; C1613-C1625 WeakPolarHBondContact CB-SG 3.41Å; C1613-C1625 WeakPolarHBondContact SG-CA 3.36Å; C1613-C1625 WeakPolarHBondContact SG-CB 3.5Å; C1613-C1625 CovalentContact SG-SG 2.03Å; C1613-C1625 PolarHBondContact SG-SG 3.38Å; Q1617-C1625 HydrophobicContact CB-CB 4.41Å; Q1617-C1625 VanDerWaalsContact OE1-CB 3.23Å |
| 1626 | R | 79.6 | Confident | 73.5 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156 | 174.8 | -82.1 | -65 | -174.1 | -80.6 | -11.9 | 110.4 | Q1617 F1618 D1630 F1631 D1637 | Q1617-R1626 CarbonylContact C-O 3.54Å; Q1617-R1626 WeakPolarHBondContact CA-O 3.39Å; Q1617-R1626 WeakPolarHBondContact CB-O 3.17Å; F1618-R1626 PolarHBondContact N-O 3.45Å; F1618-R1626 PolarHBondContact O-N 2.82Å; R1626-D1630 HydrophobicContact CB-CB 3.93Å; R1626-D1630 WeakPolarHBondContact CD-OD2 2.98Å; R1626-F1631 HydrophobicContact CB-CD2 4.44Å; R1626-F1631 HydrophobicContact CB-CE2 3.73Å; R1626-D1637 HydrophobicContact CG-CB 4.19Å; R1626-D1637 PolarHBondContact NE-O 3.36Å; R1626-D1637 PolarHBondContact NH2-O 3.32Å |
| 1627 | S | 79.7 | Confident | 73.7 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 156.6 | -174.1 | -158.9 | 0 | 0 | 0 | 0 | 112.6 | G1616 T1629 D1630 F1631 | G1616-S1627 CarbonylContact O-C 3.54Å; G1616-S1627 VanDerWaalsContact O-CA 3.22Å; G1616-S1627 WeakPolarHBondContact O-CA 3.44Å; G1616-S1627 PolarHBondContact O-OG 2.8Å; S1627-T1629 WeakPolarHBondContact CB-OG1 3.23Å; S1627-T1629 PolarHBondContact O-N 2.91Å; S1627-T1629 PolarHBondContact OG-OG1 3.27Å; S1627-D1630 WeakPolarHBondContact CA-OD2 3.02Å; S1627-D1630 VanDerWaalsContact CB-CG 3.46Å; S1627-D1630 VanDerWaalsContact CB-OD1 3.29Å; S1627-D1630 WeakPolarHBondContact CB-OD1 3.4Å; S1627-D1630 WeakPolarHBondContact CB-OD2 3.15Å; S1627-D1630 VanDerWaalsContact N-CG 3.32Å; S1627-D1630 PolarHBondContact N-OD2 3.24Å; S1627-D1630 WeakPolarHBondContact O-CA 3.46Å; S1627-D1630 VanDerWaalsContact O-CB 3.23Å; S1627-D1630 WeakPolarHBondContact O-CB 3.49Å; S1627-D1630 PolarHBondContact O-N 2.87Å; S1627-F1631 WeakPolarHBondContact O-CD2 3.35Å |
| 1628 | E | 70.8 | Confident | 73.6 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -58.4 | -26.8 | 172.7 | 174.1 | 166.9 | -136.5 | 0 | 0 | 112.3 | R1103 G1616 F1618 D1630 | R1103-E1628 IonicContact CZ-OE2 2.98Å; R1103-E1628 IonicContact NE-OE2 3.25Å; R1103-E1628 PolarHBondContact NE-OE2 2.84Å; R1103-E1628 IonicContact NH2-OE2 3.31Å; R1103-E1628 PolarHBondContact NH2-OE2 3.04Å; G1616-E1628 PolarHBondContact O-N 2.82Å; F1618-E1628 HydrophobicContact CD2-CB 4.42Å; F1618-E1628 HydrophobicContact CE2-CB 4Å; F1618-E1628 HydrophobicContact CE2-CG 3.74Å; F1618-E1628 HydrophobicContact CZ-CB 4.37Å; F1618-E1628 HydrophobicContact CZ-CG 3.91Å; E1628-D1630 VanDerWaalsContact C-N 3.28Å |
| 1629 | T | 73.9 | Confident | 73.2 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 63% | 0.632 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -75.6 | -10.8 | 170.6 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | S1627 N1633 | S1627-T1629 WeakPolarHBondContact CB-OG1 3.23Å; S1627-T1629 PolarHBondContact O-N 2.91Å; S1627-T1629 PolarHBondContact OG-OG1 3.27Å; T1629-N1633 VanDerWaalsContact O-CB 3.3Å; T1629-N1633 WeakPolarHBondContact O-CB 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.34Å; T1629-N1633 VanDerWaalsContact O-ND2 3.16Å |
| 1630 | D | 75 | Confident | 72.7 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -97.7 | -4.9 | -174.2 | -52.3 | 0.5 | 0 | 0 | 0 | 110.9 | R1626 S1627 E1628 N1633 D1637 D1643 | R1626-D1630 HydrophobicContact CB-CB 3.93Å; R1626-D1630 WeakPolarHBondContact CD-OD2 2.98Å; S1627-D1630 WeakPolarHBondContact CA-OD2 3.02Å; S1627-D1630 VanDerWaalsContact CB-CG 3.46Å; S1627-D1630 VanDerWaalsContact CB-OD1 3.29Å; S1627-D1630 WeakPolarHBondContact CB-OD1 3.4Å; S1627-D1630 WeakPolarHBondContact CB-OD2 3.15Å; S1627-D1630 VanDerWaalsContact N-CG 3.32Å; S1627-D1630 PolarHBondContact N-OD2 3.24Å; S1627-D1630 WeakPolarHBondContact O-CA 3.46Å; S1627-D1630 VanDerWaalsContact O-CB 3.23Å; S1627-D1630 WeakPolarHBondContact O-CB 3.49Å; S1627-D1630 PolarHBondContact O-N 2.87Å; E1628-D1630 VanDerWaalsContact C-N 3.28Å; D1630-N1633 WeakPolarHBondContact CA-ND2 3.36Å; D1630-D1637 HydrophobicContact CB-CB 3.85Å; D1630-D1643 WeakPolarHBondContact O-CB 3.18Å |
| 1631 | F | 74.1 | Confident | 72.1 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -105 | 114.8 | -179.7 | -79.3 | -110.3 | 0 | 0 | 0 | 111.4 | F1618 R1626 S1627 D1643 | F1618-F1631 HydrophobicContact CB-CD1 4.37Å; F1618-F1631 HydrophobicContact CB-CD2 4.01Å; F1618-F1631 HydrophobicContact CB-CE1 4.06Å; F1618-F1631 HydrophobicContact CB-CE2 3.63Å; F1618-F1631 HydrophobicContact CB-CG 4.37Å; F1618-F1631 HydrophobicContact CB-CZ 3.68Å; F1618-F1631 HydrophobicContact CD2-CB 4.14Å; F1618-F1631 HydrophobicContact CD2-CD1 4.37Å; F1618-F1631 AromaticContact CD2-CD2 3.91Å; F1618-F1631 HydrophobicContact CD2-CD2 3.91Å; F1618-F1631 HydrophobicContact CD2-CE2 4.41Å; F1618-F1631 AromaticContact CD2-CG 3.89Å; F1618-F1631 HydrophobicContact CD2-CG 3.89Å; F1618-F1631 HydrophobicContact CG-CD2 4.48Å; R1626-F1631 HydrophobicContact CB-CD2 4.44Å; R1626-F1631 HydrophobicContact CB-CE2 3.73Å; S1627-F1631 WeakPolarHBondContact O-CD2 3.35Å; F1631-D1643 HydrophobicContact CD1-CB 4.03Å; F1631-D1643 HydrophobicContact CD2-CB 4.41Å; F1631-D1643 HydrophobicContact CE1-CB 4.27Å; F1631-D1643 HydrophobicContact CG-CB 4.09Å |
| 1632 | C | 70.2 | Confident | 72 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 69.1 | 40.9 | -177.1 | -39 | 0 | 0 | 0 | 0 | 113.7 | K1587 D1643 E1644 C1649 | K1587-C1632 PolarHBondContact NZ-SG 2.87Å; C1632-D1643 PolarHBondContact N-O 3.41Å; C1632-E1644 VanDerWaalsContact CA-OE1 3.31Å; C1632-E1644 WeakPolarHBondContact CA-OE1 2.95Å; C1632-C1649 HydrophobicContact CB-CB 3.91Å; C1632-C1649 WeakPolarHBondContact CB-SG 3.44Å; C1632-C1649 WeakPolarHBondContact SG-CA 3.31Å; C1632-C1649 WeakPolarHBondContact SG-CB 3.19Å; C1632-C1649 CovalentContact SG-SG 2.03Å; C1632-C1649 PolarHBondContact SG-SG 3.46Å |
| 1633 | N | 70 | Confident | 72 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -102.7 | -5.4 | -178.9 | 68.1 | -2.8 | 0 | 0 | 0 | 113.5 | T1629 D1630 Q1635 D1637 E1644 | T1629-N1633 VanDerWaalsContact O-CB 3.3Å; T1629-N1633 WeakPolarHBondContact O-CB 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.34Å; T1629-N1633 VanDerWaalsContact O-ND2 3.16Å; D1630-N1633 WeakPolarHBondContact CA-ND2 3.36Å; N1633-Q1635 WeakPolarHBondContact OD1-CA 3.47Å; N1633-Q1635 WeakPolarHBondContact OD1-CB 3.46Å; N1633-Q1635 PolarHBondContact OD1-N 2.9Å; N1633-Q1635 PolarHBondContact OD1-O 2.9Å; N1633-Q1635 VanDerWaalsContact OD1-O 3.13Å; N1633-D1637 PolarHBondContact ND2-OD2 3.36Å; N1633-E1644 PolarHBondContact N-OE1 2.77Å; N1633-E1644 VanDerWaalsContact N-OE1 3.14Å |
| 1634 | G | 60.4 | Low | 72 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 91 | 8.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1644 | G1634-E1644 VanDerWaalsContact CA-OE2 3.23Å; G1634-E1644 WeakPolarHBondContact CA-OE2 3.28Å; G1634-E1644 PolarHBondContact N-OE1 2.98Å |
| 1635 | Q | 56.9 | Low | 71.2 | Confident | 126 Ų | 126 | 56 Ų | 56 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -130.7 | 143.4 | -178.3 | -54.4 | -167.4 | 23.8 | 0 | 0 | 110.7 | N1633 D1637 E1644 | N1633-Q1635 WeakPolarHBondContact OD1-CA 3.47Å; N1633-Q1635 WeakPolarHBondContact OD1-CB 3.46Å; N1633-Q1635 PolarHBondContact OD1-N 2.9Å; N1633-Q1635 PolarHBondContact OD1-O 2.9Å; N1633-Q1635 VanDerWaalsContact OD1-O 3.13Å; Q1635-D1637 PolarHBondContact O-N 3.49Å; Q1635-E1644 WeakPolarHBondContact O-CG 3.41Å |
| 1636 | V | 70.2 | Confident | 69.7 | Low | 105 Ų | 105 | 55.2 Ų | 55.2 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | trans | -92 | 88.1 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | E1644 | V1636-E1644 HydrophobicContact CG2-CB 4.46Å; V1636-E1644 HydrophobicContact CG2-CG 4.19Å | ||
| 1637 | D | 72.8 | Confident | 68.3 | Low | 46 Ų | 46 | 52.2 Ų | 52.2 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | trans | -87.7 | -37.5 | 179.9 | -75.7 | -52.6 | 0 | 0 | 0 | 111.6 | R1626 D1630 N1633 Q1635 D1643 | R1626-D1637 HydrophobicContact CG-CB 4.19Å; R1626-D1637 PolarHBondContact NE-O 3.36Å; R1626-D1637 PolarHBondContact NH2-O 3.32Å; D1630-D1637 HydrophobicContact CB-CB 3.85Å; N1633-D1637 PolarHBondContact ND2-OD2 3.36Å; Q1635-D1637 PolarHBondContact O-N 3.49Å; D1637-D1643 WeakPolarHBondContact CA-OD2 3.21Å; D1637-D1643 PolarHBondContact N-OD2 3.22Å | ||
| 1638 | C | 75 | Confident | 67.3 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -71.8 | 134.4 | 174 | -76.9 | 0 | 0 | 0 | 0 | 111.5 | C1620 D1640 G1641 D1643 | C1620-C1638 HydrophobicContact CB-CB 3.78Å; C1620-C1638 WeakPolarHBondContact CB-SG 3.15Å; C1620-C1638 WeakPolarHBondContact SG-CB 3.09Å; C1620-C1638 CovalentContact SG-SG 2.04Å; C1620-C1638 PolarHBondContact SG-SG 3.19Å; C1638-D1640 VanDerWaalsContact C-N 3.28Å; C1638-D1640 PolarHBondContact O-N 2.02Å; C1638-D1640 VanDerWaalsContact O-N 3.17Å; C1638-G1641 PolarHBondContact O-N 2.98Å; C1638-D1643 HydrophobicContact CB-CB 4.13Å; C1638-D1643 WeakPolarHBondContact CB-OD2 2.97Å; C1638-D1643 PolarHBondContact N-OD2 2.88Å |
| 1639 | P | 71 | Confident | 66.7 | Low | 89 Ų | 89 | 48.4 Ų | 48.4 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.6 | -175.9 | -21.5 | 33.7 | 0 | 0 | 0 | 115.5 | T1624 | T1624-P1639 HydrophobicContact CG2-CG 4.3Å; T1624-P1639 WeakPolarHBondContact OG1-CD 3.32Å |
| 1640 | D | 68.3 | Low | 65.5 | Low | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.2 | 172.7 | 85.7 | -47.9 | 0 | 0 | 0 | 113.8 | K1621 D1622 C1638 S1642 R1645 | K1621-D1640 WeakPolarHBondContact CB-OD2 3.36Å; D1622-D1640 HydrophobicContact CB-CB 4.14Å; C1638-D1640 VanDerWaalsContact C-N 3.28Å; C1638-D1640 PolarHBondContact O-N 2.02Å; C1638-D1640 VanDerWaalsContact O-N 3.17Å; D1640-S1642 WeakPolarHBondContact OD1-CB 3.44Å; D1640-S1642 PolarHBondContact OD1-N 3.48Å; D1640-S1642 PolarHBondContact OD1-OG 3.3Å; D1640-R1645 PolarHBondContact O-NH1 3.39Å |
| 1641 | G | 67.9 | Low | 63.9 | Low | 3 Ų | 3 | 57.4 Ų | 57.4 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | trans | 64.4 | 59.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1638 D1643 R1645 | C1638-G1641 PolarHBondContact O-N 2.98Å; G1641-D1643 WeakPolarHBondContact CA-OD1 3.14Å; G1641-R1645 VanDerWaalsContact O-CB 3.32Å; G1641-R1645 WeakPolarHBondContact O-CB 3.48Å; G1641-R1645 WeakPolarHBondContact O-CD 3.38Å; G1641-R1645 WeakPolarHBondContact O-CG 3.49Å; G1641-R1645 PolarHBondContact O-NH1 3.45Å | ||
| 1642 | S | 72.5 | Confident | 62.2 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | trans | -109.1 | -9.4 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | C1620 K1621 D1640 | C1620-S1642 WeakPolarHBondContact CA-OG 3.25Å; K1621-S1642 VanDerWaalsContact CB-CB 3.43Å; K1621-S1642 PolarHBondContact N-OG 2.97Å; D1640-S1642 WeakPolarHBondContact OD1-CB 3.44Å; D1640-S1642 PolarHBondContact OD1-N 3.48Å; D1640-S1642 PolarHBondContact OD1-OG 3.3Å | ||
| 1643 | D | 73.7 | Confident | 61 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -65.6 | -53 | 164.8 | 44.7 | -2 | 0 | 0 | 0 | 113.1 | D1630 F1631 C1632 D1637 C1638 G1641 R1645 C1649 | D1630-D1643 WeakPolarHBondContact O-CB 3.18Å; F1631-D1643 HydrophobicContact CD1-CB 4.03Å; F1631-D1643 HydrophobicContact CD2-CB 4.41Å; F1631-D1643 HydrophobicContact CE1-CB 4.27Å; F1631-D1643 HydrophobicContact CG-CB 4.09Å; C1632-D1643 PolarHBondContact N-O 3.41Å; D1637-D1643 WeakPolarHBondContact CA-OD2 3.21Å; D1637-D1643 PolarHBondContact N-OD2 3.22Å; C1638-D1643 HydrophobicContact CB-CB 4.13Å; C1638-D1643 WeakPolarHBondContact CB-OD2 2.97Å; C1638-D1643 PolarHBondContact N-OD2 2.88Å; G1641-D1643 WeakPolarHBondContact CA-OD1 3.14Å; D1643-R1645 VanDerWaalsContact C-N 3.32Å; D1643-C1649 PolarHBondContact O-SG 3.05Å |
| 1644 | E | 70.8 | Confident | 60.4 | Low | 57 Ų | 57 | 56.2 Ų | 56.2 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -85.4 | -7.5 | 179.5 | -75.1 | -74.2 | 102.7 | 0 | 0 | 112.2 | C1632 N1633 G1634 Q1635 V1636 P1646 | C1632-E1644 VanDerWaalsContact CA-OE1 3.31Å; C1632-E1644 WeakPolarHBondContact CA-OE1 2.95Å; N1633-E1644 PolarHBondContact N-OE1 2.77Å; N1633-E1644 VanDerWaalsContact N-OE1 3.14Å; G1634-E1644 VanDerWaalsContact CA-OE2 3.23Å; G1634-E1644 WeakPolarHBondContact CA-OE2 3.28Å; G1634-E1644 PolarHBondContact N-OE1 2.98Å; Q1635-E1644 WeakPolarHBondContact O-CG 3.41Å; V1636-E1644 HydrophobicContact CG2-CB 4.46Å; V1636-E1644 HydrophobicContact CG2-CG 4.19Å; E1644-P1646 WeakPolarHBondContact O-CD 2.92Å |
| 1645 | R | 60.8 | Low | 61 | Low | 122 Ų | 122 | 53.5 Ų | 53.5 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -102.1 | 104.9 | 179 | -73.5 | -168.2 | -164.2 | 114.8 | 1 | 112.2 | D1640 G1641 D1643 | D1640-R1645 PolarHBondContact O-NH1 3.39Å; G1641-R1645 VanDerWaalsContact O-CB 3.32Å; G1641-R1645 WeakPolarHBondContact O-CB 3.48Å; G1641-R1645 WeakPolarHBondContact O-CD 3.38Å; G1641-R1645 WeakPolarHBondContact O-CG 3.49Å; G1641-R1645 PolarHBondContact O-NH1 3.45Å; D1643-R1645 VanDerWaalsContact C-N 3.32Å |
| 1646 | P | 49.9 | Very low | 62 | Low | 24 Ų | 24 | 48.5 Ų | 48.5 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 159.4 | 161.5 | 15.2 | -32.6 | 0 | 0 | 0 | 114.4 | E1644 C1649 Q1651 I1653 | E1644-P1646 WeakPolarHBondContact O-CD 2.92Å; P1646-C1649 HydrophobicContact CB-CB 4.37Å; P1646-Q1651 WeakPolarHBondContact CB-O 3.36Å; P1646-Q1651 WeakPolarHBondContact CG-O 2.98Å; P1646-I1653 HydrophobicContact CG-CB 3.54Å; P1646-I1653 HydrophobicContact CG-CD1 3.59Å; P1646-I1653 HydrophobicContact CG-CG1 3.32Å |
| 1647 | P | 49.5 | Very low | 62.7 | Low | 23 Ų | 23 | 44.1 Ų | 44.1 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -79 | -2.2 | 29.6 | 27.6 | -36.3 | 0 | 0 | 0 | 118.7 | N1565 H1582 | N1565-P1647 HydrophobicContact CB-CB 4.32Å; N1565-P1647 VanDerWaalsContact CG-CB 3.42Å; N1565-P1647 WeakPolarHBondContact OD1-CB 3.39Å; H1582-P1647 HydrophobicContact CB-CG 3.67Å |
| 1648 | Y | 59.5 | Low | 63.1 | Low | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -86.4 | -8 | -171.9 | -46.5 | -59.2 | 0 | 0 | 0 | 116.4 | Y1534 H1582 T1585 K1587 | Y1534-Y1648 HydrophobicContact CD1-CD2 4.13Å; Y1534-Y1648 AromaticContact CD1-CE2 3.31Å; Y1534-Y1648 HydrophobicContact CD1-CE2 3.31Å; Y1534-Y1648 AromaticContact CD1-CZ 3.63Å; Y1534-Y1648 AromaticContact CE1-CD2 3.59Å; Y1534-Y1648 HydrophobicContact CE1-CD2 3.59Å; Y1534-Y1648 AromaticContact CE1-CE2 3.26Å; Y1534-Y1648 HydrophobicContact CE1-CE2 3.26Å; Y1534-Y1648 HydrophobicContact CE1-CG 4.5Å; Y1534-Y1648 AromaticContact CE1-CZ 3.95Å; H1582-Y1648 PolarHBondContact O-OH 2.02Å; T1585-Y1648 HydrophobicContact CG2-CD1 3.35Å; T1585-Y1648 HydrophobicContact CG2-CD2 3.76Å; T1585-Y1648 HydrophobicContact CG2-CE1 3.78Å; T1585-Y1648 HydrophobicContact CG2-CE2 4.15Å; T1585-Y1648 HydrophobicContact CG2-CG 3.3Å; T1585-Y1648 WeakPolarHBondContact OG1-CB 3.29Å; T1585-Y1648 WeakPolarHBondContact OG1-CD1 3.33Å; K1587-Y1648 PolarHBondContact NZ-O 2.61Å |
| 1649 | C | 58.3 | Low | 63.3 | Low | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -94 | 147.3 | 158.8 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | C1632 D1643 P1646 Q1651 | C1632-C1649 HydrophobicContact CB-CB 3.91Å; C1632-C1649 WeakPolarHBondContact CB-SG 3.44Å; C1632-C1649 WeakPolarHBondContact SG-CA 3.31Å; C1632-C1649 WeakPolarHBondContact SG-CB 3.19Å; C1632-C1649 CovalentContact SG-SG 2.03Å; C1632-C1649 PolarHBondContact SG-SG 3.46Å; D1643-C1649 PolarHBondContact O-SG 3.05Å; P1646-C1649 HydrophobicContact CB-CB 4.37Å; C1649-Q1651 VanDerWaalsContact C-N 3.3Å; C1649-Q1651 CarbonylContact C-O 3.57Å; C1649-Q1651 CarbonylContact O-C 3.37Å; C1649-Q1651 VanDerWaalsContact O-C 3.23Å; C1649-Q1651 PolarHBondContact O-N 3.26Å |
| 1650 | R | 49.2 | Very low | 63.6 | Low | 216 Ų | 216 | 49.6 Ų | 49.6 | 82% | 0.815 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -76.8 | -17 | -172.8 | -146.7 | 175.6 | -169.6 | 175.8 | 1.4 | 113.5 | I1652 | R1650-I1652 PolarHBondContact O-N 3.2Š|
| 1651 | Q | 40.7 | Very low | 64.1 | Low | 109 Ų | 109 | 51.3 Ų | 51.3 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66 | 99.6 | 145.1 | -80.3 | 176.7 | -36.2 | 0 | 0 | 107.1 | P1646 C1649 I1653 E1734 | P1646-Q1651 WeakPolarHBondContact CB-O 3.36Å; P1646-Q1651 WeakPolarHBondContact CG-O 2.98Å; C1649-Q1651 VanDerWaalsContact C-N 3.3Å; C1649-Q1651 CarbonylContact C-O 3.57Å; C1649-Q1651 CarbonylContact O-C 3.37Å; C1649-Q1651 VanDerWaalsContact O-C 3.23Å; C1649-Q1651 PolarHBondContact O-N 3.26Å; Q1651-I1653 PolarHBondContact O-N 3.46Å; Q1651-E1734 PolarHBondContact NE2-OE1 2.71Å |
| 1652 | I | 38.4 | Very low | 64.8 | Low | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | trans | -66.4 | 122.9 | 161.4 | -58.6 | 96.8 | 0 | 0 | 0 | 106.2 | P1564 R1650 Q1654 | P1564-I1652 HydrophobicContact CB-CG2 4.33Å; P1564-I1652 HydrophobicContact CG-CG2 4.33Å; R1650-I1652 PolarHBondContact O-N 3.2Å; I1652-Q1654 HydrophobicContact CB-CG 4.07Å; I1652-Q1654 HydrophobicContact CG2-CG 3.91Å; I1652-Q1654 PolarHBondContact O-N 2.79Å | ||
| 1653 | I | 45.2 | Very low | 65.2 | Low | 24 Ų | 24 | 57.9 Ų | 57.9 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | trans | -71.1 | 84.2 | 163.9 | -70.2 | 165.1 | 0 | 0 | 0 | 105.8 | P1646 Q1651 V1655 E1656 H1677 | P1646-I1653 HydrophobicContact CG-CB 3.54Å; P1646-I1653 HydrophobicContact CG-CD1 3.59Å; P1646-I1653 HydrophobicContact CG-CG1 3.32Å; Q1651-I1653 PolarHBondContact O-N 3.46Å; I1653-V1655 HydrophobicContact CG2-CG2 4.4Å; I1653-V1655 PolarHBondContact O-N 2.7Å; I1653-E1656 HydrophobicContact CG2-CB 3.61Å; I1653-E1656 HydrophobicContact CG2-CG 4.39Å; I1653-H1677 PolarHBondContact O-CD2 3.17Å | ||
| 1654 | Q | 58.1 | Low | 65.5 | Low | 45 Ų | 45 | 58.5 Ų | 58.5 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -66.8 | -6.8 | 160.9 | -61.8 | 163.5 | -34.6 | 0 | 0 | 110.2 | P1564 I1652 S1676 H1677 V1678 L1733 | P1564-Q1654 HydrophobicContact CG-CG 4.06Å; I1652-Q1654 HydrophobicContact CB-CG 4.07Å; I1652-Q1654 HydrophobicContact CG2-CG 3.91Å; I1652-Q1654 PolarHBondContact O-N 2.79Å; Q1654-S1676 CarbonylContact O-C 3.24Å; Q1654-S1676 VanDerWaalsContact O-CA 3.28Å; Q1654-S1676 WeakPolarHBondContact O-CA 3.39Å; Q1654-H1677 PolarHBondContact O-N 2.99Å; Q1654-V1678 HydrophobicContact CB-CG2 3.74Å; Q1654-V1678 HydrophobicContact CG-CG2 3.87Å; Q1654-L1733 HydrophobicContact CB-CB 4.31Å; Q1654-L1733 HydrophobicContact CB-CD1 3.84Å; Q1654-L1733 HydrophobicContact CB-CD2 3.95Å; Q1654-L1733 HydrophobicContact CB-CG 4.25Å; Q1654-L1733 HydrophobicContact CG-CD2 4.17Å |
| 1655 | V | 72.3 | Confident | 66 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 59 | -146.4 | -70.9 | 0 | 0 | 0 | 0 | 113.7 | I1653 I1675 F1730 L1733 E1734 R1736 | I1653-V1655 HydrophobicContact CG2-CG2 4.4Å; I1653-V1655 PolarHBondContact O-N 2.7Å; V1655-I1675 CarbonylContact C-O 3.53Å; V1655-I1675 WeakPolarHBondContact CA-O 3Å; V1655-F1730 HydrophobicContact CB-CB 4.41Å; V1655-F1730 HydrophobicContact CB-CD1 4.05Å; V1655-F1730 HydrophobicContact CB-CD2 3.55Å; V1655-F1730 HydrophobicContact CB-CE1 4.09Å; V1655-F1730 HydrophobicContact CB-CE2 3.59Å; V1655-F1730 HydrophobicContact CB-CG 3.79Å; V1655-F1730 HydrophobicContact CB-CZ 3.86Å; V1655-F1730 HydrophobicContact CG1-CB 3.4Å; V1655-F1730 VanDerWaalsContact CG1-CB 3.4Å; V1655-F1730 HydrophobicContact CG1-CD1 3.65Å; V1655-F1730 HydrophobicContact CG1-CD2 3.49Å; V1655-F1730 VanDerWaalsContact CG1-CD2 3.49Å; V1655-F1730 HydrophobicContact CG1-CE1 4.18Å; V1655-F1730 HydrophobicContact CG1-CE2 4.05Å; V1655-F1730 HydrophobicContact CG1-CG 3.25Å; V1655-F1730 HydrophobicContact CG1-CZ 4.36Å; V1655-L1733 HydrophobicContact CG1-CB 3.44Å; V1655-L1733 VanDerWaalsContact CG1-CB 3.44Å; V1655-L1733 HydrophobicContact CG1-CD1 3.63Å; V1655-L1733 HydrophobicContact CG1-CG 4.18Å; V1655-E1734 WeakPolarHBondContact CG1-O 3.5Å; V1655-E1734 HydrophobicContact CG2-CB 4.13Å; V1655-E1734 WeakPolarHBondContact CG2-O 3.45Å; V1655-R1736 HydrophobicContact CG2-CG 4.08Å; V1655-R1736 WeakPolarHBondContact O-CD 3.38Å |
| 1656 | E | 77.3 | Confident | 66.9 | Low | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 148 | -174.4 | -169.8 | -175.1 | 164.4 | 0 | 0 | 111.9 | I1653 R1658 I1675 H1677 | I1653-E1656 HydrophobicContact CG2-CB 3.61Å; I1653-E1656 HydrophobicContact CG2-CG 4.39Å; E1656-R1658 VanDerWaalsContact CD-NH2 3.26Å; E1656-R1658 IonicContact OE1-CZ 3.69Å; E1656-R1658 IonicContact OE1-NE 3.46Å; E1656-R1658 PolarHBondContact OE1-NE 2.77Å; E1656-R1658 IonicContact OE1-NH2 2.74Å; E1656-R1658 PolarHBondContact OE1-NH2 2.88Å; E1656-R1658 IonicContact OE2-CZ 2.83Å; E1656-R1658 IonicContact OE2-NE 3.3Å; E1656-R1658 IonicContact OE2-NH2 3.77Å; E1656-R1658 PolarHBondContact OE2-NH2 2.91Å; E1656-I1675 HydrophobicContact CB-CB 4.21Å; E1656-I1675 HydrophobicContact CB-CD1 4.34Å; E1656-I1675 HydrophobicContact CG-CD1 4.45Å; E1656-I1675 PolarHBondContact N-O 3.4Å; E1656-I1675 PolarHBondContact O-N 2.91Å; E1656-H1677 WeakPolarHBondContact CB-NE2 3.45Å; E1656-H1677 IonicContact OE2-CE1 3.25Å; E1656-H1677 PolarHBondContact OE2-CE1 3.08Å; E1656-H1677 IonicContact OE2-NE2 2.71Å; E1656-H1677 PolarHBondContact OE2-NE2 3.24Å |
| 1657 | I | 85.9 | Confident | 68.5 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.3 | 161.2 | -40.1 | 175.1 | 0 | 0 | 0 | 109.6 | P1659 S1660 F1672 E1673 C1728 R1736 T1738 | I1657-P1659 CarbonylContact O-C 3.59Å; I1657-S1660 PolarHBondContact O-N 2.86Å; I1657-F1672 HydrophobicContact CG2-CB 4.4Å; I1657-F1672 HydrophobicContact CG2-CD2 3.53Å; I1657-F1672 HydrophobicContact CG2-CE2 4.18Å; I1657-F1672 HydrophobicContact CG2-CG 4.28Å; I1657-E1673 VanDerWaalsContact CA-O 3.29Å; I1657-E1673 WeakPolarHBondContact CA-O 3.35Å; I1657-C1728 HydrophobicContact CD1-CB 3.73Å; I1657-C1728 WeakPolarHBondContact CD1-SG 3.46Å; I1657-C1728 HydrophobicContact CG1-CB 3.95Å; I1657-C1728 VanDerWaalsContact CG1-SG 3.57Å; I1657-R1736 VanDerWaalsContact CD1-C 3.48Å; I1657-R1736 HydrophobicContact CD1-CB 3.59Å; I1657-R1736 WeakPolarHBondContact CD1-O 3.42Å; I1657-R1736 HydrophobicContact CG1-CB 3.94Å; I1657-T1738 HydrophobicContact CG2-CG2 4.26Å |
| 1658 | R | 80 | Confident | 70 | Confident | 125 Ų | 125 | 58.3 Ų | 58.3 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 109.8 | -174.8 | -171 | -179.2 | -66.2 | -166.5 | 4 | 111.5 | E1656 F1672 E1673 I1675 | E1656-R1658 VanDerWaalsContact CD-NH2 3.26Å; E1656-R1658 IonicContact OE1-CZ 3.69Å; E1656-R1658 IonicContact OE1-NE 3.46Å; E1656-R1658 PolarHBondContact OE1-NE 2.77Å; E1656-R1658 IonicContact OE1-NH2 2.74Å; E1656-R1658 PolarHBondContact OE1-NH2 2.88Å; E1656-R1658 IonicContact OE2-CZ 2.83Å; E1656-R1658 IonicContact OE2-NE 3.3Å; E1656-R1658 IonicContact OE2-NH2 3.77Å; E1656-R1658 PolarHBondContact OE2-NH2 2.91Å; R1658-F1672 CarbonylContact O-C 3.4Å; R1658-F1672 VanDerWaalsContact O-CA 3.23Å; R1658-F1672 WeakPolarHBondContact O-CA 3.35Å; R1658-F1672 WeakPolarHBondContact O-CB 3.49Å; R1658-E1673 PolarHBondContact N-O 2.83Å; R1658-E1673 PolarHBondContact O-N 2.89Å; R1658-I1675 HydrophobicContact CB-CD1 3.97Å |
| 1659 | P | 79.7 | Confident | 71.2 | Confident | 61 Ų | 61 | 61 Ų | 61 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -71.6 | 153.1 | -10.9 | -14.4 | 31.1 | 0 | 0 | 0 | 113.2 | I1657 I1661 I1662 T1738 | I1657-P1659 CarbonylContact O-C 3.59Å; P1659-I1661 VanDerWaalsContact CB-O 3.29Å; P1659-I1661 WeakPolarHBondContact CB-O 3.18Å; P1659-I1662 HydrophobicContact CB-CG1 4.02Å; P1659-I1662 HydrophobicContact CG-CG1 4.23Å; P1659-T1738 PolarHBondContact O-OG1 2.88Å; P1659-T1738 VanDerWaalsContact O-OG1 3.07Å |
| 1660 | S | 77.8 | Confident | 72.6 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -86.6 | -18.2 | 170.3 | 52 | 0 | 0 | 0 | 0 | 113.7 | I1657 T1738 V1739 | I1657-S1660 PolarHBondContact O-N 2.86Å; S1660-T1738 VanDerWaalsContact O-CA 3.28Å; S1660-T1738 WeakPolarHBondContact O-CA 3.42Å; S1660-T1738 PolarHBondContact O-OG1 3.41Å; S1660-T1738 VanDerWaalsContact O-OG1 3.12Å; S1660-V1739 PolarHBondContact O-N 3.5Å |
| 1661 | I | 78.9 | Confident | 74.5 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 46% | 0.456 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 132.9 | 170 | -56.7 | 177.9 | 0 | 0 | 0 | 107.5 | P1659 V1739 | P1659-I1661 VanDerWaalsContact CB-O 3.29Å; P1659-I1661 WeakPolarHBondContact CB-O 3.18Å; I1661-V1739 CarbonylContact C-O 3.56Å; I1661-V1739 WeakPolarHBondContact CA-O 3.14Å |
| 1662 | I | 82.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 105.8 | -178.3 | -53.1 | 176.2 | 0 | 0 | 0 | 108.8 | P1659 V1664 F1670 F1672 V1739 I1740 E1741 | P1659-I1662 HydrophobicContact CB-CG1 4.02Å; P1659-I1662 HydrophobicContact CG-CG1 4.23Å; I1662-V1664 HydrophobicContact CG2-CB 4.27Å; I1662-V1664 HydrophobicContact CG2-CG1 4.32Å; I1662-F1670 HydrophobicContact CD1-CD2 3.63Å; I1662-F1670 HydrophobicContact CD1-CE2 4.18Å; I1662-F1670 HydrophobicContact CD1-CG 4.41Å; I1662-F1670 HydrophobicContact CG2-CB 3.84Å; I1662-F1670 HydrophobicContact CG2-CD2 4.33Å; I1662-F1670 HydrophobicContact CG2-CG 4.12Å; I1662-F1672 HydrophobicContact CD1-CB 4.07Å; I1662-F1672 HydrophobicContact CD1-CD1 3.83Å; I1662-F1672 HydrophobicContact CD1-CG 4.35Å; I1662-V1739 PolarHBondContact N-O 3Å; I1662-I1740 HydrophobicContact CB-CG1 4.31Å; I1662-I1740 HydrophobicContact CB-CG2 4.4Å; I1662-I1740 HydrophobicContact CD1-CG1 4.09Å; I1662-I1740 CarbonylContact O-C 3.52Å; I1662-E1741 PolarHBondContact O-N 3.19Å |
| 1663 | H | 81.5 | Confident | 79.3 | Confident | 129 Ų | 129 | 50.3 Ų | 50.3 | 60% | 0.597 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.9 | 167.3 | -52.9 | -81 | 0 | 0 | 0 | 109.5 | E1741 | H1663-E1741 WeakPolarHBondContact CA-O 3.09Å; H1663-E1741 IonicContact CE1-OE1 2.74Å; H1663-E1741 IonicContact CE1-OE2 3.62Å; H1663-E1741 PolarHBondContact CE1-OE2 2.69Å; H1663-E1741 IonicContact ND1-OE2 3.85Å; H1663-E1741 PolarHBondContact ND1-OE2 2.82Å; H1663-E1741 VanDerWaalsContact ND1-OE2 3.09Å |
| 1664 | V | 80.3 | Confident | 81.4 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 138.2 | -168.5 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | I1662 K1668 F1670 I1740 E1741 I1742 E1743 | I1662-V1664 HydrophobicContact CG2-CB 4.27Å; I1662-V1664 HydrophobicContact CG2-CG1 4.32Å; V1664-K1668 HydrophobicContact CG2-CB 3.59Å; V1664-K1668 VanDerWaalsContact CG2-O 3.23Å; V1664-K1668 WeakPolarHBondContact CG2-O 3.46Å; V1664-F1670 HydrophobicContact CG1-CD1 4.12Å; V1664-F1670 HydrophobicContact CG1-CE1 4.47Å; V1664-F1670 HydrophobicContact CG2-CB 4.44Å; V1664-F1670 HydrophobicContact CG2-CD1 4.06Å; V1664-I1740 HydrophobicContact CG1-CG2 3.52Å; V1664-E1741 PolarHBondContact N-O 2.8Å; V1664-I1742 HydrophobicContact CG1-CG1 4.08Å; V1664-I1742 CarbonylContact O-C 3.44Å; V1664-I1742 WeakPolarHBondContact O-CA 3.39Å; V1664-E1743 PolarHBondContact O-N 2.88Å |
| 1665 | Q | 81 | Confident | 82.6 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | trans | -74.8 | 159.3 | 177 | -33.4 | -163 | -82.6 | 0 | 0 | 111.3 | Y1667 K1668 E1743 | Q1665-Y1667 PolarHBondContact O-N 2.03Å; Q1665-K1668 HydrophobicContact CB-CG 3.66Å; Q1665-K1668 HydrophobicContact CG-CG 4.04Å; Q1665-K1668 WeakPolarHBondContact O-CB 3.36Å; Q1665-K1668 PolarHBondContact O-N 2.69Å; Q1665-K1668 VanDerWaalsContact O-N 3.08Å; Q1665-E1743 WeakPolarHBondContact CG-OE2 3.29Å; Q1665-E1743 PolarHBondContact NE2-OE2 3.08Å | ||
| 1666 | P | 79.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 139.5 | 171.6 | -26.2 | 36 | 0 | 0 | 0 | 110.9 | K1668 L1717 D1719 I1742 E1743 P1745 Q1752 | P1666-K1668 PolarHBondContact O-N 3.21Å; P1666-L1717 WeakPolarHBondContact CA-O 2.96Å; P1666-D1719 HydrophobicContact CG-CB 4.12Å; P1666-I1742 HydrophobicContact CB-CG2 4.49Å; P1666-I1742 HydrophobicContact CG-CG2 4.11Å; P1666-E1743 VanDerWaalsContact CD-O 3.26Å; P1666-E1743 WeakPolarHBondContact CD-O 3.24Å; P1666-E1743 VanDerWaalsContact CG-O 3.22Å; P1666-E1743 WeakPolarHBondContact CG-O 3.29Å; P1666-P1745 HydrophobicContact CG-CG 4Å; P1666-Q1752 HydrophobicContact CB-CB 4.37Å; P1666-Q1752 HydrophobicContact CG-CB 4.33Å |
| 1667 | Y | 82.7 | Confident | 82.9 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 7.6 | -179.8 | -46.1 | -76.7 | 0 | 0 | 0 | 116.2 | Q1665 Y1715 L1717 T1718 Q1752 C1753 M1754 Y1781 | Q1665-Y1667 PolarHBondContact O-N 2.03Å; Y1667-Y1715 CarbonylContact C-O 3.58Å; Y1667-L1717 PolarHBondContact N-O 2.92Å; Y1667-T1718 HydrophobicContact CD1-CG2 4.07Å; Y1667-T1718 HydrophobicContact CE1-CG2 3.48Å; Y1667-T1718 VanDerWaalsContact CE1-CG2 3.48Å; Y1667-T1718 HydrophobicContact CE2-CG2 4.47Å; Y1667-Q1752 VanDerWaalsContact CE2-O 3.23Å; Y1667-Q1752 WeakPolarHBondContact CE2-O 3.44Å; Y1667-Q1752 PolarHBondContact OH-O 2.92Å; Y1667-C1753 WeakPolarHBondContact CE2-O 3.48Å; Y1667-C1753 WeakPolarHBondContact OH-CA 3.25Å; Y1667-M1754 HydrophobicContact CD1-CB 4Å; Y1667-M1754 HydrophobicContact CD1-CG 3.89Å; Y1667-M1754 HydrophobicContact CD1-SD 4.01Å; Y1667-M1754 HydrophobicContact CD2-CB 3.84Å; Y1667-M1754 HydrophobicContact CD2-CG 3.93Å; Y1667-M1754 HydrophobicContact CE1-CB 3.96Å; Y1667-M1754 HydrophobicContact CE1-CG 4.36Å; Y1667-M1754 VanDerWaalsContact CE2-CA 3.43Å; Y1667-M1754 HydrophobicContact CE2-CB 3.84Å; Y1667-M1754 HydrophobicContact CE2-CG 4.42Å; Y1667-M1754 HydrophobicContact CG-CB 3.88Å; Y1667-M1754 HydrophobicContact CG-CG 3.58Å; Y1667-M1754 HydrophobicContact CG-SD 4.2Å; Y1667-M1754 PolarHBondContact OH-N 3.48Å; Y1667-Y1781 HydrophobicContact CD1-CD1 4.13Å; Y1667-Y1781 AromaticContact CD1-CD2 3.97Å; Y1667-Y1781 HydrophobicContact CD1-CD2 3.97Å; Y1667-Y1781 AromaticContact CD1-CE1 3.75Å; Y1667-Y1781 HydrophobicContact CD1-CE1 3.75Å; Y1667-Y1781 AromaticContact CD1-CE2 3.54Å; Y1667-Y1781 HydrophobicContact CD1-CE2 3.54Å; Y1667-Y1781 HydrophobicContact CD1-CG 4.23Å; Y1667-Y1781 AromaticContact CD1-CZ 3.43Å; Y1667-Y1781 VanDerWaalsContact CD1-CZ 3.43Å; Y1667-Y1781 HydrophobicContact CE1-CD1 4.14Å; Y1667-Y1781 AromaticContact CE1-CD2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CD2 3.45Å; Y1667-Y1781 VanDerWaalsContact CE1-CD2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CE1 4.17Å; Y1667-Y1781 AromaticContact CE1-CE2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CE2 3.45Å; Y1667-Y1781 VanDerWaalsContact CE1-CE2 3.45Å; Y1667-Y1781 AromaticContact CE1-CG 3.79Å; Y1667-Y1781 HydrophobicContact CE1-CG 3.79Å; Y1667-Y1781 AromaticContact CE1-CZ 3.83Å |
| 1668 | K | 81.8 | Confident | 81.7 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 47% | 0.47 | 26% | 0.258 | S | S | . | . | trans | -85.8 | 129.4 | 172.2 | -65.5 | -69.9 | -175.2 | 177.6 | 0 | 110.2 | V1664 Q1665 P1666 G1716 | V1664-K1668 HydrophobicContact CG2-CB 3.59Å; V1664-K1668 VanDerWaalsContact CG2-O 3.23Å; V1664-K1668 WeakPolarHBondContact CG2-O 3.46Å; Q1665-K1668 HydrophobicContact CB-CG 3.66Å; Q1665-K1668 HydrophobicContact CG-CG 4.04Å; Q1665-K1668 WeakPolarHBondContact O-CB 3.36Å; Q1665-K1668 PolarHBondContact O-N 2.69Å; Q1665-K1668 VanDerWaalsContact O-N 3.08Å; P1666-K1668 PolarHBondContact O-N 3.21Å; K1668-G1716 WeakPolarHBondContact O-CA 3.36Å | ||
| 1669 | P | 84.3 | Confident | 81 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | trans | -71.7 | 149.5 | 177.8 | 30.6 | -35.7 | 0 | 0 | 0 | 112.2 | A1713 | P1669-A1713 WeakPolarHBondContact CA-O 2.95Å; P1669-A1713 VanDerWaalsContact CB-O 3.23Å; P1669-A1713 WeakPolarHBondContact CB-O 3.48Å | ||
| 1670 | F | 87.6 | Confident | 80.4 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 161.5 | 177.2 | 62.8 | -94 | 0 | 0 | 0 | 111.2 | I1662 V1664 F1672 F1699 S1712 A1713 L1717 I1740 | I1662-F1670 HydrophobicContact CD1-CD2 3.63Å; I1662-F1670 HydrophobicContact CD1-CE2 4.18Å; I1662-F1670 HydrophobicContact CD1-CG 4.41Å; I1662-F1670 HydrophobicContact CG2-CB 3.84Å; I1662-F1670 HydrophobicContact CG2-CD2 4.33Å; I1662-F1670 HydrophobicContact CG2-CG 4.12Å; V1664-F1670 HydrophobicContact CG1-CD1 4.12Å; V1664-F1670 HydrophobicContact CG1-CE1 4.47Å; V1664-F1670 HydrophobicContact CG2-CB 4.44Å; V1664-F1670 HydrophobicContact CG2-CD1 4.06Å; F1670-F1672 HydrophobicContact CE2-CD1 4.48Å; F1670-F1672 HydrophobicContact CE2-CE1 4.45Å; F1670-F1699 HydrophobicContact CE2-CE1 4.06Å; F1670-F1699 AromaticContact CZ-CE1 3.85Å; F1670-F1699 HydrophobicContact CZ-CE1 3.85Å; F1670-F1699 HydrophobicContact CZ-CZ 4.5Å; F1670-S1712 CarbonylContact O-C 3.23Å; F1670-S1712 WeakPolarHBondContact O-CA 3.44Å; F1670-A1713 HydrophobicContact CD1-CB 3.82Å; F1670-A1713 HydrophobicContact CD2-CB 4.14Å; F1670-A1713 HydrophobicContact CE1-CB 3.46Å; F1670-A1713 VanDerWaalsContact CE1-CB 3.46Å; F1670-A1713 HydrophobicContact CE2-CB 3.79Å; F1670-A1713 HydrophobicContact CG-CB 4.16Å; F1670-A1713 HydrophobicContact CZ-CB 3.44Å; F1670-A1713 VanDerWaalsContact CZ-CB 3.44Å; F1670-A1713 PolarHBondContact N-O 2.77Å; F1670-A1713 PolarHBondContact O-N 3.09Å; F1670-L1717 HydrophobicContact CE1-CB 4.43Å; F1670-L1717 HydrophobicContact CE1-CD1 3.95Å; F1670-L1717 HydrophobicContact CE1-CG 3.88Å; F1670-L1717 HydrophobicContact CZ-CD1 3.74Å; F1670-L1717 HydrophobicContact CZ-CG 4.05Å; F1670-I1740 HydrophobicContact CD1-CG2 4.3Å; F1670-I1740 HydrophobicContact CD2-CG1 4.43Å; F1670-I1740 HydrophobicContact CE1-CG2 3.76Å; F1670-I1740 HydrophobicContact CE2-CD1 4Å; F1670-I1740 HydrophobicContact CE2-CG1 3.7Å; F1670-I1740 HydrophobicContact CE2-CG2 4.2Å; F1670-I1740 HydrophobicContact CZ-CB 4.31Å; F1670-I1740 HydrophobicContact CZ-CD1 4.09Å; F1670-I1740 HydrophobicContact CZ-CG1 3.85Å; F1670-I1740 HydrophobicContact CZ-CG2 3.71Å |
| 1671 | E | 88.9 | Confident | 80 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.6 | 171.5 | 65.9 | 176.6 | -159.3 | 0 | 0 | 112.4 | R1710 V1711 | E1671-R1710 IonicContact OE1-NH1 3.18Å; E1671-R1710 PolarHBondContact OE1-NH1 2.92Å; E1671-R1710 VanDerWaalsContact OE1-NH1 3.15Å; E1671-R1710 WeakPolarHBondContact OE2-CD 2.97Å; E1671-R1710 IonicContact OE2-CZ 3.77Å; E1671-R1710 IonicContact OE2-NE 2.84Å; E1671-R1710 IonicContact OE2-NH1 2.9Å; E1671-R1710 PolarHBondContact OE2-NH1 2.72Å; E1671-V1711 CarbonylContact C-O 3.46Å; E1671-V1711 VanDerWaalsContact CA-O 3.25Å; E1671-V1711 WeakPolarHBondContact CA-O 3.17Å; E1671-V1711 WeakPolarHBondContact CB-O 3.28Å |
| 1672 | F | 90.7 | Very high | 80 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 164.3 | 171.8 | 63.1 | -88.8 | 0 | 0 | 0 | 111.2 | I1657 R1658 I1662 F1670 R1710 V1711 I1726 T1738 | I1657-F1672 HydrophobicContact CG2-CB 4.4Å; I1657-F1672 HydrophobicContact CG2-CD2 3.53Å; I1657-F1672 HydrophobicContact CG2-CE2 4.18Å; I1657-F1672 HydrophobicContact CG2-CG 4.28Å; R1658-F1672 CarbonylContact O-C 3.4Å; R1658-F1672 VanDerWaalsContact O-CA 3.23Å; R1658-F1672 WeakPolarHBondContact O-CA 3.35Å; R1658-F1672 WeakPolarHBondContact O-CB 3.49Å; I1662-F1672 HydrophobicContact CD1-CB 4.07Å; I1662-F1672 HydrophobicContact CD1-CD1 3.83Å; I1662-F1672 HydrophobicContact CD1-CG 4.35Å; F1670-F1672 HydrophobicContact CE2-CD1 4.48Å; F1670-F1672 HydrophobicContact CE2-CE1 4.45Å; F1672-R1710 WeakPolarHBondContact O-CA 3.29Å; F1672-V1711 HydrophobicContact CD1-CB 4.29Å; F1672-V1711 HydrophobicContact CD2-CB 4.23Å; F1672-V1711 HydrophobicContact CE1-CB 3.79Å; F1672-V1711 HydrophobicContact CE1-CG1 3.67Å; F1672-V1711 HydrophobicContact CE2-CB 3.73Å; F1672-V1711 HydrophobicContact CE2-CG1 4.28Å; F1672-V1711 HydrophobicContact CE2-CG2 3.85Å; F1672-V1711 HydrophobicContact CG-CB 4.49Å; F1672-V1711 HydrophobicContact CZ-CB 3.49Å; F1672-V1711 VanDerWaalsContact CZ-CB 3.49Å; F1672-V1711 HydrophobicContact CZ-CG1 3.53Å; F1672-V1711 HydrophobicContact CZ-CG2 3.92Å; F1672-V1711 PolarHBondContact N-O 3.3Å; F1672-V1711 PolarHBondContact O-N 3.07Å; F1672-I1726 HydrophobicContact CE1-CD1 3.88Å; F1672-I1726 HydrophobicContact CE2-CG2 4.41Å; F1672-I1726 HydrophobicContact CZ-CB 4.12Å; F1672-I1726 HydrophobicContact CZ-CD1 3.76Å; F1672-I1726 HydrophobicContact CZ-CG2 3.86Å; F1672-T1738 HydrophobicContact CD1-CG2 4.13Å; F1672-T1738 HydrophobicContact CD2-CG2 3.96Å; F1672-T1738 HydrophobicContact CE1-CG2 3.85Å; F1672-T1738 HydrophobicContact CE2-CG2 3.66Å; F1672-T1738 HydrophobicContact CG-CG2 4.18Å; F1672-T1738 HydrophobicContact CZ-CG2 3.59Å |
| 1673 | E | 89 | Confident | 80.2 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.4 | 176.7 | -55.5 | -179.1 | 114.8 | 0 | 0 | 110.7 | I1657 R1658 I1675 L1704 R1708 L1709 | I1657-E1673 VanDerWaalsContact CA-O 3.29Å; I1657-E1673 WeakPolarHBondContact CA-O 3.35Å; R1658-E1673 PolarHBondContact N-O 2.83Å; R1658-E1673 PolarHBondContact O-N 2.89Å; E1673-I1675 HydrophobicContact CB-CD1 3.96Å; E1673-I1675 HydrophobicContact CB-CG1 3.67Å; E1673-L1704 VanDerWaalsContact OE1-CD1 3.22Å; E1673-L1704 WeakPolarHBondContact OE1-CD1 3.45Å; E1673-R1708 WeakPolarHBondContact OE1-CD 3.35Å; E1673-R1708 IonicContact OE1-CZ 3.18Å; E1673-R1708 IonicContact OE1-NE 2.76Å; E1673-R1708 IonicContact OE1-NH1 3.76Å; E1673-R1708 PolarHBondContact OE1-NH1 2.76Å; E1673-R1708 IonicContact OE2-CZ 2.72Å; E1673-R1708 IonicContact OE2-NH1 2.74Å; E1673-R1708 PolarHBondContact OE2-NH1 3.03Å; E1673-R1708 IonicContact OE2-NH2 2.78Å; E1673-L1709 CarbonylContact C-O 3.51Å; E1673-L1709 WeakPolarHBondContact CA-O 3.08Å |
| 1674 | C | 90.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 116.8 | 157.8 | -51 | 0 | 0 | 0 | 0 | 108.1 | P1683 L1709 C1728 F1730 | C1674-P1683 HydrophobicContact CB-CB 3.79Å; C1674-P1683 HydrophobicContact CB-CG 4.29Å; C1674-P1683 WeakPolarHBondContact O-CG 3.47Å; C1674-L1709 HydrophobicContact CB-CB 4.26Å; C1674-L1709 PolarHBondContact N-O 2.92Å; C1674-L1709 PolarHBondContact O-N 3.2Å; C1674-C1728 HydrophobicContact CB-CB 3.64Å; C1674-C1728 WeakPolarHBondContact CB-SG 3.38Å; C1674-C1728 WeakPolarHBondContact SG-CB 3.29Å; C1674-C1728 CovalentContact SG-SG 2.03Å; C1674-C1728 PolarHBondContact SG-SG 2.88Å; C1674-F1730 HydrophobicContact CB-CE1 4.25Å; C1674-F1730 HydrophobicContact CB-CZ 3.99Å |
| 1675 | I | 82.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 105.7 | -171.3 | -52.9 | 155.9 | 0 | 0 | 0 | 109.2 | V1655 E1656 R1658 E1673 H1677 R1708 | V1655-I1675 CarbonylContact C-O 3.53Å; V1655-I1675 WeakPolarHBondContact CA-O 3Å; E1656-I1675 HydrophobicContact CB-CB 4.21Å; E1656-I1675 HydrophobicContact CB-CD1 4.34Å; E1656-I1675 HydrophobicContact CG-CD1 4.45Å; E1656-I1675 PolarHBondContact N-O 3.4Å; E1656-I1675 PolarHBondContact O-N 2.91Å; R1658-I1675 HydrophobicContact CB-CD1 3.97Å; E1673-I1675 HydrophobicContact CB-CD1 3.96Å; E1673-I1675 HydrophobicContact CB-CG1 3.67Å; I1675-H1677 PolarHBondContact O-N 2.81Å; I1675-R1708 HydrophobicContact CG1-CG 4.27Å |
| 1676 | S | 78.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109.9 | 165.4 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | Q1654 V1678 I1681 N1707 | Q1654-S1676 CarbonylContact O-C 3.24Å; Q1654-S1676 VanDerWaalsContact O-CA 3.28Å; Q1654-S1676 WeakPolarHBondContact O-CA 3.39Å; S1676-V1678 PolarHBondContact O-N 3.49Å; S1676-V1678 PolarHBondContact OG-O 2.92Å; S1676-I1681 VanDerWaalsContact CB-O 3.26Å; S1676-I1681 WeakPolarHBondContact CB-O 3.18Å; S1676-I1681 PolarHBondContact OG-O 2.86Å; S1676-N1707 WeakPolarHBondContact CA-O 3.46Å; S1676-N1707 WeakPolarHBondContact CB-O 3.38Å; S1676-N1707 PolarHBondContact N-O 3.46Å; S1676-N1707 PolarHBondContact O-ND2 2.96Å |
| 1677 | H | 78 | Confident | 80.9 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -72 | -20.5 | 172.3 | -71.7 | -59.7 | 0 | 0 | 0 | 111.5 | I1653 Q1654 E1656 I1675 P1679 | I1653-H1677 PolarHBondContact O-CD2 3.17Å; Q1654-H1677 PolarHBondContact O-N 2.99Å; E1656-H1677 WeakPolarHBondContact CB-NE2 3.45Å; E1656-H1677 IonicContact OE2-CE1 3.25Å; E1656-H1677 PolarHBondContact OE2-CE1 3.08Å; E1656-H1677 IonicContact OE2-NE2 2.71Å; E1656-H1677 PolarHBondContact OE2-NE2 3.24Å; I1675-H1677 PolarHBondContact O-N 2.81Å; H1677-P1679 WeakPolarHBondContact O-CD 3.5Å |
| 1678 | V | 60.2 | Low | 80 | Confident | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -75.5 | 120.7 | 166.7 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | Q1654 S1676 I1681 L1733 | Q1654-V1678 HydrophobicContact CB-CG2 3.74Å; Q1654-V1678 HydrophobicContact CG-CG2 3.87Å; S1676-V1678 PolarHBondContact O-N 3.49Å; S1676-V1678 PolarHBondContact OG-O 2.92Å; V1678-I1681 HydrophobicContact CB-CD1 4.23Å; V1678-I1681 HydrophobicContact CG1-CD1 3.77Å; V1678-I1681 HydrophobicContact CG1-CG1 4.28Å; V1678-L1733 HydrophobicContact CB-CD1 4.19Å; V1678-L1733 HydrophobicContact CG2-CD1 4.2Å; V1678-L1733 HydrophobicContact CG2-CD2 4.17Å |
| 1679 | P | 65.3 | Low | 79 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 70% | 0.695 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 149.6 | 178.4 | -22 | 34.3 | 0 | 0 | 0 | 112.7 | H1677 I1681 | H1677-P1679 WeakPolarHBondContact O-CD 3.5Å; P1679-I1681 PolarHBondContact O-N 2.81Å; P1679-I1681 VanDerWaalsContact O-N 3.11Å |
| 1680 | G | 67.4 | Low | 77.7 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 67% | 0.67 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -28.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1682 | G1680-K1682 PolarHBondContact O-N 3.1Š|
| 1681 | I | 70.3 | Confident | 76.8 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.205 | 28% | 0.282 | C | S | . | . | trans | -73.8 | 122.2 | 172.6 | -64.9 | 175.2 | 0 | 0 | 0 | 109.2 | S1676 V1678 P1679 P1683 N1707 P1731 L1733 | S1676-I1681 VanDerWaalsContact CB-O 3.26Å; S1676-I1681 WeakPolarHBondContact CB-O 3.18Å; S1676-I1681 PolarHBondContact OG-O 2.86Å; V1678-I1681 HydrophobicContact CB-CD1 4.23Å; V1678-I1681 HydrophobicContact CG1-CD1 3.77Å; V1678-I1681 HydrophobicContact CG1-CG1 4.28Å; P1679-I1681 PolarHBondContact O-N 2.81Å; P1679-I1681 VanDerWaalsContact O-N 3.11Å; I1681-P1683 WeakPolarHBondContact O-CD 3.17Å; I1681-N1707 WeakPolarHBondContact O-CA 3.42Å; I1681-N1707 WeakPolarHBondContact O-CB 3.25Å; I1681-P1731 VanDerWaalsContact CG2-O 3.32Å; I1681-P1731 WeakPolarHBondContact CG2-O 3.5Å; I1681-L1733 HydrophobicContact CB-CD1 4.15Å; I1681-L1733 HydrophobicContact CD1-CD1 3.71Å; I1681-L1733 HydrophobicContact CD1-CD2 3.71Å; I1681-L1733 HydrophobicContact CD1-CG 3.72Å; I1681-L1733 HydrophobicContact CG2-CD1 3.7Å; I1681-L1733 HydrophobicContact CG2-CG 4.28Å | ||
| 1682 | K | 79 | Confident | 76.1 | Confident | 112 Ų | 112 | 46 Ų | 46 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | trans | -99.6 | 111.3 | -172.6 | 179.8 | -179 | 174.4 | -170.4 | 0 | 110.1 | G1680 Y1703 P1706 P1731 | G1680-K1682 PolarHBondContact O-N 3.1Å; K1682-Y1703 HydrophobicContact CD-CE1 4.1Å; K1682-Y1703 VanDerWaalsContact CE-OH 3.29Å; K1682-Y1703 WeakPolarHBondContact CE-OH 3.47Å; K1682-Y1703 HydrophobicContact CG-CD1 4.26Å; K1682-Y1703 HydrophobicContact CG-CE1 3.52Å; K1682-P1706 WeakPolarHBondContact CA-O 3.47Å; K1682-P1706 WeakPolarHBondContact CB-O 3.46Å; K1682-P1706 WeakPolarHBondContact CG-O 3.4Å; K1682-P1731 VanDerWaalsContact O-CD 3.22Å; K1682-P1731 WeakPolarHBondContact O-CD 3.25Å | ||
| 1683 | P | 85 | Confident | 75.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -62.2 | 143 | 176 | 15.6 | -23.3 | 0 | 0 | 0 | 112.6 | C1674 I1681 Y1703 L1709 I1729 F1730 | C1674-P1683 HydrophobicContact CB-CB 3.79Å; C1674-P1683 HydrophobicContact CB-CG 4.29Å; C1674-P1683 WeakPolarHBondContact O-CG 3.47Å; I1681-P1683 WeakPolarHBondContact O-CD 3.17Å; P1683-Y1703 VanDerWaalsContact O-CE1 3.24Å; P1683-Y1703 WeakPolarHBondContact O-CE1 3.39Å; P1683-Y1703 PolarHBondContact O-OH 2.69Å; P1683-L1709 HydrophobicContact CB-CB 4.21Å; P1683-L1709 HydrophobicContact CG-CB 3.83Å; P1683-I1729 CarbonylContact C-O 3.55Å; P1683-I1729 WeakPolarHBondContact CA-O 3.07Å; P1683-F1730 HydrophobicContact CB-CD1 3.7Å; P1683-F1730 HydrophobicContact CB-CE1 3.64Å; P1683-F1730 HydrophobicContact CB-CZ 4.47Å; P1683-F1730 HydrophobicContact CG-CD1 4.41Å; P1683-F1730 HydrophobicContact CG-CE1 4.21Å | ||
| 1684 | E | 86.7 | Confident | 75 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 160.7 | 159.7 | -62.9 | -171.2 | 162.3 | 0 | 0 | 109 | R1686 L1692 C1728 I1729 | E1684-R1686 IonicContact OE2-CZ 3.9Å; E1684-R1686 VanDerWaalsContact OE2-CZ 3.31Å; E1684-R1686 IonicContact OE2-NE 2.65Å; E1684-R1686 PolarHBondContact OE2-NE 2.85Å; E1684-R1686 IonicContact OE2-NH2 2.71Å; E1684-R1686 PolarHBondContact OE2-NH2 2.76Å; E1684-L1692 HydrophobicContact CB-CD2 4Å; E1684-L1692 HydrophobicContact CG-CD2 4.29Å; E1684-C1728 CarbonylContact O-C 3.36Å; E1684-C1728 WeakPolarHBondContact O-CA 3.45Å; E1684-I1729 HydrophobicContact CB-CB 4.41Å; E1684-I1729 PolarHBondContact N-O 2.67Å; E1684-I1729 PolarHBondContact O-N 2.9Å |
| 1685 | A | 87 | Confident | 74.1 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | V1693 L1709 V1711 I1726 H1727 | A1685-V1693 HydrophobicContact CB-CB 3.97Å; A1685-V1693 HydrophobicContact CB-CG2 4Å; A1685-V1693 PolarHBondContact O-N 2.92Å; A1685-L1709 HydrophobicContact CB-CD2 4.09Å; A1685-V1711 HydrophobicContact CB-CG2 3.87Å; A1685-I1726 HydrophobicContact CB-CG2 4.16Å; A1685-H1727 CarbonylContact C-O 3.38Å |
| 1686 | R | 85.2 | Confident | 73.4 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.5 | -177.4 | -56.2 | -151 | -172.8 | -172.5 | 4.9 | 112.4 | E1684 G1690 I1691 L1692 H1727 I1729 | E1684-R1686 IonicContact OE2-CZ 3.9Å; E1684-R1686 VanDerWaalsContact OE2-CZ 3.31Å; E1684-R1686 IonicContact OE2-NE 2.65Å; E1684-R1686 PolarHBondContact OE2-NE 2.85Å; E1684-R1686 IonicContact OE2-NH2 2.71Å; E1684-R1686 PolarHBondContact OE2-NH2 2.76Å; R1686-G1690 WeakPolarHBondContact CD-O 3.4Å; R1686-G1690 PolarHBondContact NH1-O 3.34Å; R1686-I1691 CarbonylContact C-O 3.49Å; R1686-I1691 WeakPolarHBondContact CA-O 3.44Å; R1686-I1691 WeakPolarHBondContact CB-O 3.4Å; R1686-L1692 HydrophobicContact CG-CD2 3.99Å; R1686-L1692 HydrophobicContact CG-CG 4.45Å; R1686-H1727 PolarHBondContact N-O 2.83Å; R1686-H1727 PolarHBondContact O-N 3.26Å; R1686-I1729 HydrophobicContact CB-CD1 4.13Å; R1686-I1729 HydrophobicContact CG-CD1 3.76Å; R1686-I1729 HydrophobicContact CG-CG1 4.3Å |
| 1687 | L | 78 | Confident | 73 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 163.3 | 170 | -59.3 | 178.5 | 0 | 0 | 0 | 110.2 | S1689 G1690 I1691 V1693 D1696 F1724 I1726 | L1687-S1689 PolarHBondContact O-N 2.79Å; L1687-G1690 PolarHBondContact O-N 2.8Å; L1687-I1691 PolarHBondContact N-O 2.81Å; L1687-V1693 HydrophobicContact CD2-CG2 3.95Å; L1687-V1693 HydrophobicContact CG-CG2 4.21Å; L1687-D1696 HydrophobicContact CD1-CB 4.23Å; L1687-F1724 HydrophobicContact CD2-CE1 3.76Å; L1687-F1724 HydrophobicContact CD2-CZ 3.74Å; L1687-I1726 HydrophobicContact CD2-CG1 4.18Å |
| 1688 | S | 64.8 | Low | 72.7 | Confident | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11.1 | 175.7 | -48.4 | 0 | 0 | 0 | 0 | 114.6 | G1690 H1727 | S1688-G1690 VanDerWaalsContact C-N 3.33Å; S1688-H1727 WeakPolarHBondContact CA-NE2 3.47Å; S1688-H1727 PolarHBondContact OG-NE2 2.79Å |
| 1689 | S | 59.6 | Low | 73.8 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.5 | 169.4 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | L1687 I1691 | L1687-S1689 PolarHBondContact O-N 2.79Å; S1689-I1691 VanDerWaalsContact C-N 3.28Å; S1689-I1691 PolarHBondContact O-N 3.43Å |
| 1690 | G | 58.5 | Low | 74.6 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 81.1 | -2.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1686 L1687 S1688 | R1686-G1690 WeakPolarHBondContact CD-O 3.4Å; R1686-G1690 PolarHBondContact NH1-O 3.34Å; L1687-G1690 PolarHBondContact O-N 2.8Å; S1688-G1690 VanDerWaalsContact C-N 3.33Å |
| 1691 | I | 68.1 | Low | 75.2 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | trans | -74 | 141.8 | 176.8 | -60.9 | 175.9 | 0 | 0 | 0 | 110.2 | R1686 L1687 S1689 Q1695 | R1686-I1691 CarbonylContact C-O 3.49Å; R1686-I1691 WeakPolarHBondContact CA-O 3.44Å; R1686-I1691 WeakPolarHBondContact CB-O 3.4Å; L1687-I1691 PolarHBondContact N-O 2.81Å; S1689-I1691 VanDerWaalsContact C-N 3.28Å; S1689-I1691 PolarHBondContact O-N 3.43Å; I1691-Q1695 HydrophobicContact CG2-CB 4.18Å | ||
| 1692 | L | 73.8 | Confident | 75.9 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 134.5 | 175.5 | -78.1 | 159 | 0 | 0 | 0 | 111.1 | E1684 R1686 S1694 Q1695 | E1684-L1692 HydrophobicContact CB-CD2 4Å; E1684-L1692 HydrophobicContact CG-CD2 4.29Å; R1686-L1692 HydrophobicContact CG-CD2 3.99Å; R1686-L1692 HydrophobicContact CG-CG 4.45Å; L1692-S1694 PolarHBondContact O-N 2.83Å; L1692-Q1695 HydrophobicContact CB-CG 4.07Å; L1692-Q1695 WeakPolarHBondContact O-CA 3.23Å; L1692-Q1695 VanDerWaalsContact O-CB 3.29Å; L1692-Q1695 WeakPolarHBondContact O-CB 3.49Å; L1692-Q1695 PolarHBondContact O-N 2.95Å |
| 1693 | V | 80.5 | Confident | 76 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -63 | -25.9 | 179 | 173 | 0 | 0 | 0 | 0 | 112.3 | A1685 L1687 Q1695 D1696 F1699 V1701 V1711 I1726 | A1685-V1693 HydrophobicContact CB-CB 3.97Å; A1685-V1693 HydrophobicContact CB-CG2 4Å; A1685-V1693 PolarHBondContact O-N 2.92Å; L1687-V1693 HydrophobicContact CD2-CG2 3.95Å; L1687-V1693 HydrophobicContact CG-CG2 4.21Å; V1693-Q1695 PolarHBondContact O-N 2.96Å; V1693-Q1695 VanDerWaalsContact O-N 3.09Å; V1693-D1696 PolarHBondContact O-N 2.81Å; V1693-D1696 VanDerWaalsContact O-N 3.1Å; V1693-F1699 HydrophobicContact CG1-CB 3.45Å; V1693-F1699 VanDerWaalsContact CG1-CB 3.45Å; V1693-F1699 HydrophobicContact CG1-CD1 4.2Å; V1693-F1699 HydrophobicContact CG1-CD2 3.91Å; V1693-F1699 HydrophobicContact CG1-CG 3.59Å; V1693-V1701 HydrophobicContact CG1-CG2 4.02Å; V1693-V1711 HydrophobicContact CG1-CG1 3.76Å; V1693-I1726 HydrophobicContact CG1-CD1 4.49Å; V1693-I1726 HydrophobicContact CG2-CD1 4.27Å; V1693-I1726 HydrophobicContact CG2-CG1 4.29Å; V1693-I1726 HydrophobicContact CG2-CG2 3.7Å |
| 1694 | S | 75.9 | Confident | 75.6 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -67.6 | -0.8 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | L1692 | L1692-S1694 PolarHBondContact O-N 2.83Š|
| 1695 | Q | 71.5 | Confident | 75 | Confident | 128 Ų | 128 | 57 Ų | 57 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -108.8 | -9.7 | 173 | -54.2 | 177.4 | -59.9 | 0 | 0 | 112.7 | I1691 L1692 V1693 | I1691-Q1695 HydrophobicContact CG2-CB 4.18Å; L1692-Q1695 HydrophobicContact CB-CG 4.07Å; L1692-Q1695 WeakPolarHBondContact O-CA 3.23Å; L1692-Q1695 VanDerWaalsContact O-CB 3.29Å; L1692-Q1695 WeakPolarHBondContact O-CB 3.49Å; L1692-Q1695 PolarHBondContact O-N 2.95Å; V1693-Q1695 PolarHBondContact O-N 2.96Å; V1693-Q1695 VanDerWaalsContact O-N 3.09Å |
| 1696 | D | 69.3 | Low | 74.4 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -90.2 | 115.7 | 173.2 | -176 | -36.4 | 0 | 0 | 0 | 109.2 | L1687 V1693 R1698 F1699 | L1687-D1696 HydrophobicContact CD1-CB 4.23Å; V1693-D1696 PolarHBondContact O-N 2.81Å; V1693-D1696 VanDerWaalsContact O-N 3.1Å; D1696-R1698 PolarHBondContact O-N 3.47Å; D1696-R1698 VanDerWaalsContact OD1-CB 3.27Å; D1696-R1698 WeakPolarHBondContact OD1-CB 3.2Å; D1696-R1698 WeakPolarHBondContact OD1-CG 3.23Å; D1696-R1698 IonicContact OD1-CZ 3.17Å; D1696-R1698 PolarHBondContact OD1-N 2.84Å; D1696-R1698 IonicContact OD1-NE 3.63Å; D1696-R1698 PolarHBondContact OD1-NE 2.89Å; D1696-R1698 IonicContact OD1-NH2 2.72Å; D1696-R1698 IonicContact OD2-CZ 3.03Å; D1696-R1698 IonicContact OD2-NE 2.7Å; D1696-R1698 PolarHBondContact OD2-NE 3Å; D1696-R1698 IonicContact OD2-NH2 3.26Å; D1696-R1698 PolarHBondContact OD2-NH2 3.1Å; D1696-F1699 HydrophobicContact CB-CD2 3.98Å; D1696-F1699 PolarHBondContact O-N 3.09Å; D1696-F1699 VanDerWaalsContact O-N 3.08Å |
| 1697 | P | 69.4 | Low | 74.1 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 80% | 0.799 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -4.6 | -171.9 | 29.7 | -36.8 | 0 | 0 | 0 | 114.5 | F1699 | P1697-F1699 VanDerWaalsContact C-N 3.32Š|
| 1698 | R | 71.8 | Confident | 74.5 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19.7 | 173.7 | -60.1 | 175.5 | -66.7 | 171.4 | -0.5 | 112.3 | D1696 A1713 L1717 D1721 R1780 | D1696-R1698 PolarHBondContact O-N 3.47Å; D1696-R1698 VanDerWaalsContact OD1-CB 3.27Å; D1696-R1698 WeakPolarHBondContact OD1-CB 3.2Å; D1696-R1698 WeakPolarHBondContact OD1-CG 3.23Å; D1696-R1698 IonicContact OD1-CZ 3.17Å; D1696-R1698 PolarHBondContact OD1-N 2.84Å; D1696-R1698 IonicContact OD1-NE 3.63Å; D1696-R1698 PolarHBondContact OD1-NE 2.89Å; D1696-R1698 IonicContact OD1-NH2 2.72Å; D1696-R1698 IonicContact OD2-CZ 3.03Å; D1696-R1698 IonicContact OD2-NE 2.7Å; D1696-R1698 PolarHBondContact OD2-NE 3Å; D1696-R1698 IonicContact OD2-NH2 3.26Å; D1696-R1698 PolarHBondContact OD2-NH2 3.1Å; R1698-A1713 WeakPolarHBondContact O-CA 3.28Å; R1698-L1717 HydrophobicContact CB-CD2 4.16Å; R1698-D1721 IonicContact CZ-OD1 2.68Å; R1698-D1721 VanDerWaalsContact NH1-CG 3.34Å; R1698-D1721 IonicContact NH1-OD1 3.79Å; R1698-D1721 PolarHBondContact NH1-OD1 3.32Å; R1698-D1721 IonicContact NH1-OD2 2.87Å; R1698-D1721 PolarHBondContact NH1-OD2 3Å; R1698-R1780 WeakPolarHBondContact CG-O 3.17Å |
| 1699 | F | 82.6 | Confident | 75.7 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | trans | -115.6 | 141.2 | -176.3 | -58.6 | -87.4 | 0 | 0 | 0 | 112.2 | F1670 V1693 D1696 P1697 V1711 A1713 L1717 F1724 I1726 | F1670-F1699 HydrophobicContact CE2-CE1 4.06Å; F1670-F1699 AromaticContact CZ-CE1 3.85Å; F1670-F1699 HydrophobicContact CZ-CE1 3.85Å; F1670-F1699 HydrophobicContact CZ-CZ 4.5Å; V1693-F1699 HydrophobicContact CG1-CB 3.45Å; V1693-F1699 VanDerWaalsContact CG1-CB 3.45Å; V1693-F1699 HydrophobicContact CG1-CD1 4.2Å; V1693-F1699 HydrophobicContact CG1-CD2 3.91Å; V1693-F1699 HydrophobicContact CG1-CG 3.59Å; D1696-F1699 HydrophobicContact CB-CD2 3.98Å; D1696-F1699 PolarHBondContact O-N 3.09Å; D1696-F1699 VanDerWaalsContact O-N 3.08Å; P1697-F1699 VanDerWaalsContact C-N 3.32Å; F1699-V1711 HydrophobicContact CB-CG1 4.25Å; F1699-V1711 HydrophobicContact CD1-CG1 3.88Å; F1699-V1711 HydrophobicContact CG-CG1 4.39Å; F1699-A1713 HydrophobicContact CD1-CB 3.95Å; F1699-A1713 HydrophobicContact CE1-CB 3.93Å; F1699-L1717 HydrophobicContact CE2-CD2 4.41Å; F1699-L1717 HydrophobicContact CZ-CD1 4.03Å; F1699-L1717 HydrophobicContact CZ-CD2 4.08Å; F1699-L1717 HydrophobicContact CZ-CG 4.42Å; F1699-F1724 AromaticContact CE2-CE1 3.87Å; F1699-F1724 HydrophobicContact CE2-CE1 3.87Å; F1699-F1724 HydrophobicContact CE2-CZ 4.21Å; F1699-F1724 HydrophobicContact CZ-CD1 4.14Å; F1699-F1724 AromaticContact CZ-CE1 3.57Å; F1699-F1724 HydrophobicContact CZ-CE1 3.57Å; F1699-F1724 HydrophobicContact CZ-CZ 4.29Å; F1699-I1726 HydrophobicContact CD1-CD1 4.14Å; F1699-I1726 HydrophobicContact CE1-CD1 3.55Å; F1699-I1726 HydrophobicContact CE2-CD1 4.35Å; F1699-I1726 HydrophobicContact CZ-CD1 3.67Å | ||
| 1700 | N | 81.2 | Confident | 77.3 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.4 | 167.2 | -177.6 | 32.3 | 0 | 0 | 0 | 109.4 | V1711 S1712 I1714 | N1700-V1711 CarbonylContact O-C 3.55Å; N1700-V1711 WeakPolarHBondContact O-CA 3.05Å; N1700-S1712 PolarHBondContact N-O 3.13Å; N1700-S1712 PolarHBondContact O-N 3.29Å; N1700-I1714 HydrophobicContact CB-CD1 3.89Å; N1700-I1714 HydrophobicContact CB-CG1 4.02Å |
| 1701 | V | 81 | Confident | 78.8 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 22% | 0.218 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 114.9 | -166.8 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | V1693 L1709 R1710 V1711 | V1693-V1701 HydrophobicContact CG1-CG2 4.02Å; V1701-L1709 HydrophobicContact CG1-CD1 3.31Å; V1701-L1709 HydrophobicContact CG1-CD2 3.97Å; V1701-L1709 HydrophobicContact CG1-CG 3.97Å; V1701-R1710 WeakPolarHBondContact CA-O 3.46Å; V1701-V1711 HydrophobicContact CG2-CG1 4.44Å; V1701-V1711 HydrophobicContact CG2-CG2 4.4Å |
| 1702 | E | 84 | Confident | 79.7 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.3 | -168.6 | -176.4 | -177 | -165.1 | 0 | 0 | 111.7 | L1704 R1710 | E1702-L1704 PolarHBondContact O-N 2.89Å; E1702-R1710 PolarHBondContact N-O 3.12Å; E1702-R1710 PolarHBondContact O-N 2.96Å; E1702-R1710 IonicContact OE2-CZ 3.4Å; E1702-R1710 IonicContact OE2-NE 2.81Å; E1702-R1710 PolarHBondContact OE2-NE 2.74Å; E1702-R1710 IonicContact OE2-NH2 3.02Å; E1702-R1710 PolarHBondContact OE2-NH2 2.78Å |
| 1703 | Y | 82.5 | Confident | 80.2 | Confident | 87 Ų | 87 | 50.3 Ų | 50.3 | 34% | 0.341 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 106.3 | 175.2 | -73.3 | -86.5 | 0 | 0 | 0 | 111 | K1682 P1683 S1705 R1708 L1709 | K1682-Y1703 HydrophobicContact CD-CE1 4.1Å; K1682-Y1703 VanDerWaalsContact CE-OH 3.29Å; K1682-Y1703 WeakPolarHBondContact CE-OH 3.47Å; K1682-Y1703 HydrophobicContact CG-CD1 4.26Å; K1682-Y1703 HydrophobicContact CG-CE1 3.52Å; P1683-Y1703 VanDerWaalsContact O-CE1 3.24Å; P1683-Y1703 WeakPolarHBondContact O-CE1 3.39Å; P1683-Y1703 PolarHBondContact O-OH 2.69Å; Y1703-S1705 VanDerWaalsContact C-N 3.33Å; Y1703-R1708 CarbonylContact C-O 3.42Å; Y1703-R1708 WeakPolarHBondContact CA-O 3.32Å; Y1703-L1709 HydrophobicContact CD1-CB 4.04Å; Y1703-L1709 HydrophobicContact CD1-CD1 3.85Å; Y1703-L1709 HydrophobicContact CD2-CD1 3.72Å; Y1703-L1709 HydrophobicContact CE1-CB 3.76Å; Y1703-L1709 HydrophobicContact CE1-CD1 3.65Å; Y1703-L1709 HydrophobicContact CE1-CD2 4.31Å; Y1703-L1709 HydrophobicContact CE1-CG 4.11Å; Y1703-L1709 HydrophobicContact CE2-CD1 3.52Å; Y1703-L1709 HydrophobicContact CG-CD1 3.87Å; Y1703-L1709 VanDerWaalsContact CZ-CD1 3.46Å |
| 1704 | L | 77.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -26.2 | 174.1 | -62.1 | 176.9 | 0 | 0 | 0 | 111.9 | E1673 E1702 R1708 R1710 | E1673-L1704 VanDerWaalsContact OE1-CD1 3.22Å; E1673-L1704 WeakPolarHBondContact OE1-CD1 3.45Å; E1702-L1704 PolarHBondContact O-N 2.89Å; L1704-R1708 HydrophobicContact CB-CG 4.13Å; L1704-R1708 HydrophobicContact CD1-CG 4.45Å; L1704-R1708 PolarHBondContact N-O 2.89Å; L1704-R1710 HydrophobicContact CD1-CB 3.92Å; L1704-R1710 HydrophobicContact CG-CB 4.08Å |
| 1705 | S | 73 | Confident | 80.3 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 169.7 | 164.7 | 77.3 | 0 | 0 | 0 | 0 | 109.3 | Y1703 N1707 R1708 | Y1703-S1705 VanDerWaalsContact C-N 3.33Å; S1705-N1707 PolarHBondContact O-N 3.31Å; S1705-N1707 PolarHBondContact OG-N 3.05Å; S1705-N1707 PolarHBondContact OG-OD1 2.74Å; S1705-R1708 PolarHBondContact N-O 3.03Å; S1705-R1708 PolarHBondContact O-N 2.75Å; S1705-R1708 VanDerWaalsContact O-O 3.06Å; S1705-R1708 VanDerWaalsContact OG-CB 3.25Å; S1705-R1708 WeakPolarHBondContact OG-CB 3.44Å; S1705-R1708 PolarHBondContact OG-N 3.05Å; S1705-R1708 VanDerWaalsContact OG-N 3.16Å |
| 1706 | P | 74.7 | Confident | 80.9 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 63% | 0.63 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.9 | 177.2 | -26.7 | 36.2 | 0 | 0 | 0 | 114 | K1682 | K1682-P1706 WeakPolarHBondContact CA-O 3.47Å; K1682-P1706 WeakPolarHBondContact CB-O 3.46Å; K1682-P1706 WeakPolarHBondContact CG-O 3.4Å |
| 1707 | N | 79.3 | Confident | 81.6 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 7.9 | -179 | 65.2 | -53.5 | 0 | 0 | 0 | 114 | S1676 I1681 S1705 | S1676-N1707 WeakPolarHBondContact CA-O 3.46Å; S1676-N1707 WeakPolarHBondContact CB-O 3.38Å; S1676-N1707 PolarHBondContact N-O 3.46Å; S1676-N1707 PolarHBondContact O-ND2 2.96Å; I1681-N1707 WeakPolarHBondContact O-CA 3.42Å; I1681-N1707 WeakPolarHBondContact O-CB 3.25Å; S1705-N1707 PolarHBondContact O-N 3.31Å; S1705-N1707 PolarHBondContact OG-N 3.05Å; S1705-N1707 PolarHBondContact OG-OD1 2.74Å |
| 1708 | R | 86.7 | Confident | 82.3 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 116 | 179.4 | 177.4 | 179.5 | -83.6 | -124.1 | -11.1 | 111 | E1673 I1675 Y1703 L1704 S1705 | E1673-R1708 WeakPolarHBondContact OE1-CD 3.35Å; E1673-R1708 IonicContact OE1-CZ 3.18Å; E1673-R1708 IonicContact OE1-NE 2.76Å; E1673-R1708 IonicContact OE1-NH1 3.76Å; E1673-R1708 PolarHBondContact OE1-NH1 2.76Å; E1673-R1708 IonicContact OE2-CZ 2.72Å; E1673-R1708 IonicContact OE2-NH1 2.74Å; E1673-R1708 PolarHBondContact OE2-NH1 3.03Å; E1673-R1708 IonicContact OE2-NH2 2.78Å; I1675-R1708 HydrophobicContact CG1-CG 4.27Å; Y1703-R1708 CarbonylContact C-O 3.42Å; Y1703-R1708 WeakPolarHBondContact CA-O 3.32Å; L1704-R1708 HydrophobicContact CB-CG 4.13Å; L1704-R1708 HydrophobicContact CD1-CG 4.45Å; L1704-R1708 PolarHBondContact N-O 2.89Å; S1705-R1708 PolarHBondContact N-O 3.03Å; S1705-R1708 PolarHBondContact O-N 2.75Å; S1705-R1708 VanDerWaalsContact O-O 3.06Å; S1705-R1708 VanDerWaalsContact OG-CB 3.25Å; S1705-R1708 WeakPolarHBondContact OG-CB 3.44Å; S1705-R1708 PolarHBondContact OG-N 3.05Å; S1705-R1708 VanDerWaalsContact OG-N 3.16Å |
| 1709 | L | 89.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121 | 179.2 | 178.8 | 63.5 | 0 | 0 | 0 | 110.1 | E1673 C1674 P1683 A1685 V1701 Y1703 V1711 | E1673-L1709 CarbonylContact C-O 3.51Å; E1673-L1709 WeakPolarHBondContact CA-O 3.08Å; C1674-L1709 HydrophobicContact CB-CB 4.26Å; C1674-L1709 PolarHBondContact N-O 2.92Å; C1674-L1709 PolarHBondContact O-N 3.2Å; P1683-L1709 HydrophobicContact CB-CB 4.21Å; P1683-L1709 HydrophobicContact CG-CB 3.83Å; A1685-L1709 HydrophobicContact CB-CD2 4.09Å; V1701-L1709 HydrophobicContact CG1-CD1 3.31Å; V1701-L1709 HydrophobicContact CG1-CD2 3.97Å; V1701-L1709 HydrophobicContact CG1-CG 3.97Å; Y1703-L1709 HydrophobicContact CD1-CB 4.04Å; Y1703-L1709 HydrophobicContact CD1-CD1 3.85Å; Y1703-L1709 HydrophobicContact CD2-CD1 3.72Å; Y1703-L1709 HydrophobicContact CE1-CB 3.76Å; Y1703-L1709 HydrophobicContact CE1-CD1 3.65Å; Y1703-L1709 HydrophobicContact CE1-CD2 4.31Å; Y1703-L1709 HydrophobicContact CE1-CG 4.11Å; Y1703-L1709 HydrophobicContact CE2-CD1 3.52Å; Y1703-L1709 HydrophobicContact CG-CD1 3.87Å; Y1703-L1709 VanDerWaalsContact CZ-CD1 3.46Å; L1709-V1711 HydrophobicContact CD2-CG2 4.46Å; L1709-V1711 HydrophobicContact CG-CG2 4.35Å |
| 1710 | R | 93.5 | Very high | 82.2 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.7 | 169.9 | -177 | 165.2 | 69.2 | 144.1 | 0.1 | 110.1 | E1671 F1672 V1701 E1702 L1704 | E1671-R1710 IonicContact OE1-NH1 3.18Å; E1671-R1710 PolarHBondContact OE1-NH1 2.92Å; E1671-R1710 VanDerWaalsContact OE1-NH1 3.15Å; E1671-R1710 WeakPolarHBondContact OE2-CD 2.97Å; E1671-R1710 IonicContact OE2-CZ 3.77Å; E1671-R1710 IonicContact OE2-NE 2.84Å; E1671-R1710 IonicContact OE2-NH1 2.9Å; E1671-R1710 PolarHBondContact OE2-NH1 2.72Å; F1672-R1710 WeakPolarHBondContact O-CA 3.29Å; V1701-R1710 WeakPolarHBondContact CA-O 3.46Å; E1702-R1710 PolarHBondContact N-O 3.12Å; E1702-R1710 PolarHBondContact O-N 2.96Å; E1702-R1710 IonicContact OE2-CZ 3.4Å; E1702-R1710 IonicContact OE2-NE 2.81Å; E1702-R1710 PolarHBondContact OE2-NE 2.74Å; E1702-R1710 IonicContact OE2-NH2 3.02Å; E1702-R1710 PolarHBondContact OE2-NH2 2.78Å; L1704-R1710 HydrophobicContact CD1-CB 3.92Å; L1704-R1710 HydrophobicContact CG-CB 4.08Å |
| 1711 | V | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.5 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | E1671 F1672 A1685 V1693 F1699 N1700 V1701 L1709 | E1671-V1711 CarbonylContact C-O 3.46Å; E1671-V1711 VanDerWaalsContact CA-O 3.25Å; E1671-V1711 WeakPolarHBondContact CA-O 3.17Å; E1671-V1711 WeakPolarHBondContact CB-O 3.28Å; F1672-V1711 HydrophobicContact CD1-CB 4.29Å; F1672-V1711 HydrophobicContact CD2-CB 4.23Å; F1672-V1711 HydrophobicContact CE1-CB 3.79Å; F1672-V1711 HydrophobicContact CE1-CG1 3.67Å; F1672-V1711 HydrophobicContact CE2-CB 3.73Å; F1672-V1711 HydrophobicContact CE2-CG1 4.28Å; F1672-V1711 HydrophobicContact CE2-CG2 3.85Å; F1672-V1711 HydrophobicContact CG-CB 4.49Å; F1672-V1711 HydrophobicContact CZ-CB 3.49Å; F1672-V1711 VanDerWaalsContact CZ-CB 3.49Å; F1672-V1711 HydrophobicContact CZ-CG1 3.53Å; F1672-V1711 HydrophobicContact CZ-CG2 3.92Å; F1672-V1711 PolarHBondContact N-O 3.3Å; F1672-V1711 PolarHBondContact O-N 3.07Å; A1685-V1711 HydrophobicContact CB-CG2 3.87Å; V1693-V1711 HydrophobicContact CG1-CG1 3.76Å; F1699-V1711 HydrophobicContact CB-CG1 4.25Å; F1699-V1711 HydrophobicContact CD1-CG1 3.88Å; F1699-V1711 HydrophobicContact CG-CG1 4.39Å; N1700-V1711 CarbonylContact O-C 3.55Å; N1700-V1711 WeakPolarHBondContact O-CA 3.05Å; V1701-V1711 HydrophobicContact CG2-CG1 4.44Å; V1701-V1711 HydrophobicContact CG2-CG2 4.4Å; L1709-V1711 HydrophobicContact CD2-CG2 4.46Å; L1709-V1711 HydrophobicContact CG-CG2 4.35Å |
| 1712 | S | 87.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.1 | -177.8 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | F1670 N1700 I1714 | F1670-S1712 CarbonylContact O-C 3.23Å; F1670-S1712 WeakPolarHBondContact O-CA 3.44Å; N1700-S1712 PolarHBondContact N-O 3.13Å; N1700-S1712 PolarHBondContact O-N 3.29Å; S1712-I1714 VanDerWaalsContact C-N 3.35Å; S1712-I1714 PolarHBondContact O-N 2.03Å; S1712-I1714 VanDerWaalsContact O-N 3.15Å |
| 1713 | A | 84.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 81.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P1669 F1670 R1698 F1699 Y1715 G1716 | P1669-A1713 WeakPolarHBondContact CA-O 2.95Å; P1669-A1713 VanDerWaalsContact CB-O 3.23Å; P1669-A1713 WeakPolarHBondContact CB-O 3.48Å; F1670-A1713 HydrophobicContact CD1-CB 3.82Å; F1670-A1713 HydrophobicContact CD2-CB 4.14Å; F1670-A1713 HydrophobicContact CE1-CB 3.46Å; F1670-A1713 VanDerWaalsContact CE1-CB 3.46Å; F1670-A1713 HydrophobicContact CE2-CB 3.79Å; F1670-A1713 HydrophobicContact CG-CB 4.16Å; F1670-A1713 HydrophobicContact CZ-CB 3.44Å; F1670-A1713 VanDerWaalsContact CZ-CB 3.44Å; F1670-A1713 PolarHBondContact N-O 2.77Å; F1670-A1713 PolarHBondContact O-N 3.09Å; R1698-A1713 WeakPolarHBondContact O-CA 3.28Å; F1699-A1713 HydrophobicContact CD1-CB 3.95Å; F1699-A1713 HydrophobicContact CE1-CB 3.93Å; A1713-Y1715 PolarHBondContact O-N 3.41Å; A1713-G1716 PolarHBondContact O-N 3.32Å |
| 1714 | I | 79.8 | Confident | 80.5 | Confident | 89 Ų | 89 | 40.9 Ų | 40.9 | 46% | 0.456 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -9.7 | -171.1 | 8.3 | 171.5 | 0 | 0 | 0 | 115.2 | N1700 S1712 | N1700-I1714 HydrophobicContact CB-CD1 3.89Å; N1700-I1714 HydrophobicContact CB-CG1 4.02Å; S1712-I1714 VanDerWaalsContact C-N 3.35Å; S1712-I1714 PolarHBondContact O-N 2.03Å; S1712-I1714 VanDerWaalsContact O-N 3.15Å |
| 1715 | Y | 79.2 | Confident | 80.9 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 6.1 | 178.4 | -51.8 | -62.9 | 0 | 0 | 0 | 113.4 | Y1667 A1713 R1780 Y1781 | Y1667-Y1715 CarbonylContact C-O 3.58Å; A1713-Y1715 PolarHBondContact O-N 3.41Å; Y1715-R1780 VanDerWaalsContact CG-NH1 3.31Å; Y1715-Y1781 PolarHBondContact O-OH 3.15Å |
| 1716 | G | 83.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | 72.1 | -171.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1668 A1713 | K1668-G1716 WeakPolarHBondContact O-CA 3.36Å; A1713-G1716 PolarHBondContact O-N 3.32Å | ||
| 1717 | L | 84.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -126.8 | 176.6 | 175.8 | -67.6 | 177.7 | 0 | 0 | 0 | 109.4 | P1666 Y1667 F1670 R1698 F1699 D1721 F1724 I1742 | P1666-L1717 WeakPolarHBondContact CA-O 2.96Å; Y1667-L1717 PolarHBondContact N-O 2.92Å; F1670-L1717 HydrophobicContact CE1-CB 4.43Å; F1670-L1717 HydrophobicContact CE1-CD1 3.95Å; F1670-L1717 HydrophobicContact CE1-CG 3.88Å; F1670-L1717 HydrophobicContact CZ-CD1 3.74Å; F1670-L1717 HydrophobicContact CZ-CG 4.05Å; R1698-L1717 HydrophobicContact CB-CD2 4.16Å; F1699-L1717 HydrophobicContact CE2-CD2 4.41Å; F1699-L1717 HydrophobicContact CZ-CD1 4.03Å; F1699-L1717 HydrophobicContact CZ-CD2 4.08Å; F1699-L1717 HydrophobicContact CZ-CG 4.42Å; L1717-D1721 HydrophobicContact CB-CB 4.28Å; L1717-D1721 HydrophobicContact CD1-CB 4.41Å; L1717-F1724 HydrophobicContact CD1-CB 4.09Å; L1717-F1724 HydrophobicContact CD1-CD1 3.86Å; L1717-F1724 HydrophobicContact CD1-CD2 4.4Å; L1717-F1724 HydrophobicContact CD1-CE1 4.39Å; L1717-F1724 HydrophobicContact CD1-CG 3.85Å; L1717-I1742 HydrophobicContact CB-CD1 3.38Å; L1717-I1742 HydrophobicContact CB-CG1 4.26Å; L1717-I1742 HydrophobicContact CD1-CD1 3.95Å; L1717-I1742 HydrophobicContact CG-CD1 4.34Å | ||
| 1718 | T | 83.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | trans | -108.8 | 161.7 | 179.8 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | Y1667 R1720 D1721 I1742 Y1781 | Y1667-T1718 HydrophobicContact CD1-CG2 4.07Å; Y1667-T1718 HydrophobicContact CE1-CG2 3.48Å; Y1667-T1718 VanDerWaalsContact CE1-CG2 3.48Å; Y1667-T1718 HydrophobicContact CE2-CG2 4.47Å; T1718-R1720 PolarHBondContact O-N 2.81Å; T1718-D1721 PolarHBondContact N-OD2 2.97Å; T1718-D1721 VanDerWaalsContact N-OD2 3.09Å; T1718-D1721 WeakPolarHBondContact O-CB 2.96Å; T1718-D1721 PolarHBondContact O-N 2.9Å; T1718-D1721 PolarHBondContact OG1-OD2 3.48Å; T1718-D1721 VanDerWaalsContact OG1-OD2 3.07Å; T1718-I1742 WeakPolarHBondContact O-CD1 3.45Å; T1718-Y1781 HydrophobicContact CG2-CD1 4.02Å; T1718-Y1781 HydrophobicContact CG2-CG 3.88Å | ||
| 1719 | D | 78.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -60.4 | -14.3 | 174.6 | 45.3 | -14.3 | 0 | 0 | 0 | 114 | P1666 D1721 R1744 F1751 Q1752 | P1666-D1719 HydrophobicContact CG-CB 4.12Å; D1719-D1721 VanDerWaalsContact C-N 3.32Å; D1719-R1744 HydrophobicContact CB-CB 4.22Å; D1719-R1744 HydrophobicContact CB-CG 3.78Å; D1719-F1751 HydrophobicContact CB-CD1 4.4Å; D1719-F1751 WeakPolarHBondContact OD1-CB 3.33Å; D1719-F1751 WeakPolarHBondContact OD2-CA 3.47Å; D1719-Q1752 PolarHBondContact OD1-N 3.41Å; D1719-Q1752 PolarHBondContact OD2-N 3.28Å |
| 1720 | R | 73.7 | Confident | 82.2 | Confident | 84 Ų | 84 | 33.7 Ų | 33.7 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -61.7 | -33.8 | 164.9 | -65 | -179.5 | 61.1 | -172.3 | 0.4 | 114.3 | T1718 H1722 F1751 C1765 | T1718-R1720 PolarHBondContact O-N 2.81Å; R1720-H1722 VanDerWaalsContact C-N 3.28Å; R1720-F1751 HydrophobicContact CB-CD1 4.45Å; R1720-F1751 HydrophobicContact CB-CE1 4.36Å; R1720-F1751 HydrophobicContact CB-CZ 4.42Å; R1720-F1751 HydrophobicContact CG-CB 4.12Å; R1720-F1751 HydrophobicContact CG-CD1 3.73Å; R1720-F1751 HydrophobicContact CG-CD2 3.41Å; R1720-F1751 VanDerWaalsContact CG-CD2 3.41Å; R1720-F1751 HydrophobicContact CG-CE1 3.91Å; R1720-F1751 HydrophobicContact CG-CE2 3.59Å; R1720-F1751 HydrophobicContact CG-CG 3.48Å; R1720-F1751 VanDerWaalsContact CG-CG 3.48Å; R1720-F1751 HydrophobicContact CG-CZ 3.84Å; R1720-C1765 PolarHBondContact NH1-SG 2.03Å |
| 1721 | D | 75.6 | Confident | 81 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -81.8 | -7.3 | -174.3 | -67.2 | -68.6 | 0 | 0 | 0 | 112.1 | R1698 L1717 T1718 D1719 P1723 F1724 I1742 | R1698-D1721 IonicContact CZ-OD1 2.68Å; R1698-D1721 VanDerWaalsContact NH1-CG 3.34Å; R1698-D1721 IonicContact NH1-OD1 3.79Å; R1698-D1721 PolarHBondContact NH1-OD1 3.32Å; R1698-D1721 IonicContact NH1-OD2 2.87Å; R1698-D1721 PolarHBondContact NH1-OD2 3Å; L1717-D1721 HydrophobicContact CB-CB 4.28Å; L1717-D1721 HydrophobicContact CD1-CB 4.41Å; T1718-D1721 PolarHBondContact N-OD2 2.97Å; T1718-D1721 VanDerWaalsContact N-OD2 3.09Å; T1718-D1721 WeakPolarHBondContact O-CB 2.96Å; T1718-D1721 PolarHBondContact O-N 2.9Å; T1718-D1721 PolarHBondContact OG1-OD2 3.48Å; T1718-D1721 VanDerWaalsContact OG1-OD2 3.07Å; D1719-D1721 VanDerWaalsContact C-N 3.32Å; D1721-P1723 CarbonylContact O-C 3.53Å; D1721-F1724 HydrophobicContact CB-CB 4.41Å; D1721-F1724 HydrophobicContact CB-CD2 3.78Å; D1721-F1724 HydrophobicContact CB-CE2 4.48Å; D1721-F1724 HydrophobicContact CB-CG 4.41Å; D1721-F1724 WeakPolarHBondContact O-CA 3.4Å; D1721-F1724 WeakPolarHBondContact O-CB 3.5Å; D1721-F1724 PolarHBondContact O-N 2.84Å; D1721-F1724 VanDerWaalsContact O-N 3.07Å; D1721-I1742 HydrophobicContact CB-CD1 3.57Å |
| 1722 | H | 75.4 | Confident | 80 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 129.9 | -174.6 | -178.8 | 119 | 0 | 0 | 0 | 113.1 | R1720 I1742 R1744 | R1720-H1722 VanDerWaalsContact C-N 3.28Å; H1722-I1742 HydrophobicContact CB-CB 4.34Å; H1722-I1742 PolarHBondContact ND1-N 2.9Å; H1722-I1742 PolarHBondContact ND1-O 2.89Å; H1722-R1744 HydrophobicContact CB-CG 4.33Å; H1722-R1744 PolarHBondContact CD2-NH1 2.91Å; H1722-R1744 VanDerWaalsContact CD2-NH1 3.34Å; H1722-R1744 PolarHBondContact CD2-NH2 2.82Å; H1722-R1744 PolarHBondContact NE2-NH2 2.63Å; H1722-R1744 PolarHBondContact O-NH1 2.98Å |
| 1723 | P | 60.4 | Low | 79.3 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | cis | -86.4 | 130.9 | -4.6 | 32.8 | -31.9 | 0 | 0 | 0 | 111.3 | D1721 | D1721-P1723 CarbonylContact O-C 3.53Š|
| 1724 | F | 82.1 | Confident | 78.5 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140 | -178.8 | -155.5 | -99 | 0 | 0 | 0 | 110.9 | L1687 F1699 L1717 D1721 I1726 I1740 | L1687-F1724 HydrophobicContact CD2-CE1 3.76Å; L1687-F1724 HydrophobicContact CD2-CZ 3.74Å; F1699-F1724 AromaticContact CE2-CE1 3.87Å; F1699-F1724 HydrophobicContact CE2-CE1 3.87Å; F1699-F1724 HydrophobicContact CE2-CZ 4.21Å; F1699-F1724 HydrophobicContact CZ-CD1 4.14Å; F1699-F1724 AromaticContact CZ-CE1 3.57Å; F1699-F1724 HydrophobicContact CZ-CE1 3.57Å; F1699-F1724 HydrophobicContact CZ-CZ 4.29Å; L1717-F1724 HydrophobicContact CD1-CB 4.09Å; L1717-F1724 HydrophobicContact CD1-CD1 3.86Å; L1717-F1724 HydrophobicContact CD1-CD2 4.4Å; L1717-F1724 HydrophobicContact CD1-CE1 4.39Å; L1717-F1724 HydrophobicContact CD1-CG 3.85Å; D1721-F1724 HydrophobicContact CB-CB 4.41Å; D1721-F1724 HydrophobicContact CB-CD2 3.78Å; D1721-F1724 HydrophobicContact CB-CE2 4.48Å; D1721-F1724 HydrophobicContact CB-CG 4.41Å; D1721-F1724 WeakPolarHBondContact O-CA 3.4Å; D1721-F1724 WeakPolarHBondContact O-CB 3.5Å; D1721-F1724 PolarHBondContact O-N 2.84Å; D1721-F1724 VanDerWaalsContact O-N 3.07Å; F1724-I1726 HydrophobicContact CD1-CD1 4.44Å; F1724-I1726 HydrophobicContact CD1-CG1 4.19Å; F1724-I1726 HydrophobicContact CE1-CD1 4.17Å; F1724-I1726 HydrophobicContact CE1-CG1 3.95Å; F1724-I1740 HydrophobicContact CB-CB 4.28Å; F1724-I1740 HydrophobicContact CB-CD1 4.48Å; F1724-I1740 HydrophobicContact CD1-CD1 4Å; F1724-I1740 PolarHBondContact N-O 2.82Å; F1724-I1740 PolarHBondContact O-N 2.92Å |
| 1725 | Q | 85.6 | Confident | 78.4 | Confident | 80 Ų | 80 | 42 Ų | 42 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.4 | -177.8 | -67.9 | -168.3 | 1.1 | 0 | 0 | 112.4 | T1737 T1738 V1739 | Q1725-T1737 HydrophobicContact CB-CG2 3.84Å; Q1725-T1737 HydrophobicContact CG-CG2 4.22Å; Q1725-T1738 WeakPolarHBondContact CA-O 3.09Å; Q1725-V1739 HydrophobicContact CG-CG2 4.41Å |
| 1726 | I | 85.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.8 | 174.5 | -64.9 | 173.7 | 0 | 0 | 0 | 109.5 | F1672 A1685 L1687 V1693 F1699 F1724 T1737 T1738 I1740 | F1672-I1726 HydrophobicContact CE1-CD1 3.88Å; F1672-I1726 HydrophobicContact CE2-CG2 4.41Å; F1672-I1726 HydrophobicContact CZ-CB 4.12Å; F1672-I1726 HydrophobicContact CZ-CD1 3.76Å; F1672-I1726 HydrophobicContact CZ-CG2 3.86Å; A1685-I1726 HydrophobicContact CB-CG2 4.16Å; L1687-I1726 HydrophobicContact CD2-CG1 4.18Å; V1693-I1726 HydrophobicContact CG1-CD1 4.49Å; V1693-I1726 HydrophobicContact CG2-CD1 4.27Å; V1693-I1726 HydrophobicContact CG2-CG1 4.29Å; V1693-I1726 HydrophobicContact CG2-CG2 3.7Å; F1699-I1726 HydrophobicContact CD1-CD1 4.14Å; F1699-I1726 HydrophobicContact CE1-CD1 3.55Å; F1699-I1726 HydrophobicContact CE2-CD1 4.35Å; F1699-I1726 HydrophobicContact CZ-CD1 3.67Å; F1724-I1726 HydrophobicContact CD1-CD1 4.44Å; F1724-I1726 HydrophobicContact CD1-CG1 4.19Å; F1724-I1726 HydrophobicContact CE1-CD1 4.17Å; F1724-I1726 HydrophobicContact CE1-CG1 3.95Å; I1726-T1737 CarbonylContact O-C 3.57Å; I1726-T1737 VanDerWaalsContact O-CA 3.3Å; I1726-T1737 WeakPolarHBondContact O-CA 3.28Å; I1726-T1738 HydrophobicContact CB-CG2 3.95Å; I1726-T1738 PolarHBondContact N-O 2.92Å; I1726-T1738 PolarHBondContact O-N 2.85Å; I1726-I1740 HydrophobicContact CD1-CD1 4.05Å; I1726-I1740 HydrophobicContact CG1-CD1 4.32Å |
| 1727 | H | 87.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 110.3 | 174.9 | -49.8 | -70 | 0 | 0 | 0 | 109.9 | A1685 R1686 S1688 I1729 R1736 T1737 | A1685-H1727 CarbonylContact C-O 3.38Å; R1686-H1727 PolarHBondContact N-O 2.83Å; R1686-H1727 PolarHBondContact O-N 3.26Å; S1688-H1727 WeakPolarHBondContact CA-NE2 3.47Å; S1688-H1727 PolarHBondContact OG-NE2 2.79Å; H1727-I1729 HydrophobicContact CB-CG1 4.49Å; H1727-I1729 PolarHBondContact O-N 3.38Å; H1727-R1736 CarbonylContact C-O 3.54Å; H1727-R1736 VanDerWaalsContact CA-O 3.28Å; H1727-R1736 WeakPolarHBondContact CA-O 3.47Å; H1727-T1737 PolarHBondContact CE1-OG1 2.04Å; H1727-T1737 PolarHBondContact ND1-OG1 3.21Å |
| 1728 | C | 90.4 | Very high | 78.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.1 | 160.9 | -65.1 | 0 | 0 | 0 | 0 | 107.8 | I1657 C1674 E1684 F1730 R1736 | I1657-C1728 HydrophobicContact CD1-CB 3.73Å; I1657-C1728 WeakPolarHBondContact CD1-SG 3.46Å; I1657-C1728 HydrophobicContact CG1-CB 3.95Å; I1657-C1728 VanDerWaalsContact CG1-SG 3.57Å; C1674-C1728 HydrophobicContact CB-CB 3.64Å; C1674-C1728 WeakPolarHBondContact CB-SG 3.38Å; C1674-C1728 WeakPolarHBondContact SG-CB 3.29Å; C1674-C1728 CovalentContact SG-SG 2.03Å; C1674-C1728 PolarHBondContact SG-SG 2.88Å; E1684-C1728 CarbonylContact O-C 3.36Å; E1684-C1728 WeakPolarHBondContact O-CA 3.45Å; C1728-F1730 HydrophobicContact CB-CD2 4.21Å; C1728-F1730 HydrophobicContact CB-CE2 3.33Å; C1728-F1730 HydrophobicContact CB-CZ 3.63Å; C1728-F1730 VanDerWaalsContact O-CD2 3.23Å; C1728-F1730 WeakPolarHBondContact O-CD2 3.23Å; C1728-F1730 VanDerWaalsContact O-CE2 3.29Å; C1728-F1730 WeakPolarHBondContact O-CE2 3.08Å; C1728-R1736 PolarHBondContact N-O 2.82Å; C1728-R1736 PolarHBondContact O-N 2.91Å |
| 1729 | I | 85 | Confident | 78.2 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.6 | 177.8 | -66.3 | -172.2 | 0 | 0 | 0 | 108.8 | P1683 E1684 R1686 H1727 N1735 | P1683-I1729 CarbonylContact C-O 3.55Å; P1683-I1729 WeakPolarHBondContact CA-O 3.07Å; E1684-I1729 HydrophobicContact CB-CB 4.41Å; E1684-I1729 PolarHBondContact N-O 2.67Å; E1684-I1729 PolarHBondContact O-N 2.9Å; R1686-I1729 HydrophobicContact CB-CD1 4.13Å; R1686-I1729 HydrophobicContact CG-CD1 3.76Å; R1686-I1729 HydrophobicContact CG-CG1 4.3Å; H1727-I1729 HydrophobicContact CB-CG1 4.49Å; H1727-I1729 PolarHBondContact O-N 3.38Å; I1729-N1735 VanDerWaalsContact CA-OD1 3.28Å; I1729-N1735 WeakPolarHBondContact CA-OD1 3.32Å; I1729-N1735 WeakPolarHBondContact CG2-OD1 3.22Å |
| 1730 | F | 81.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | trans | -128 | 102.9 | -173.8 | -62.3 | -94 | 0 | 0 | 0 | 109 | V1655 C1674 P1683 C1728 G1732 L1733 E1734 N1735 | V1655-F1730 HydrophobicContact CB-CB 4.41Å; V1655-F1730 HydrophobicContact CB-CD1 4.05Å; V1655-F1730 HydrophobicContact CB-CD2 3.55Å; V1655-F1730 HydrophobicContact CB-CE1 4.09Å; V1655-F1730 HydrophobicContact CB-CE2 3.59Å; V1655-F1730 HydrophobicContact CB-CG 3.79Å; V1655-F1730 HydrophobicContact CB-CZ 3.86Å; V1655-F1730 HydrophobicContact CG1-CB 3.4Å; V1655-F1730 VanDerWaalsContact CG1-CB 3.4Å; V1655-F1730 HydrophobicContact CG1-CD1 3.65Å; V1655-F1730 HydrophobicContact CG1-CD2 3.49Å; V1655-F1730 VanDerWaalsContact CG1-CD2 3.49Å; V1655-F1730 HydrophobicContact CG1-CE1 4.18Å; V1655-F1730 HydrophobicContact CG1-CE2 4.05Å; V1655-F1730 HydrophobicContact CG1-CG 3.25Å; V1655-F1730 HydrophobicContact CG1-CZ 4.36Å; C1674-F1730 HydrophobicContact CB-CE1 4.25Å; C1674-F1730 HydrophobicContact CB-CZ 3.99Å; P1683-F1730 HydrophobicContact CB-CD1 3.7Å; P1683-F1730 HydrophobicContact CB-CE1 3.64Å; P1683-F1730 HydrophobicContact CB-CZ 4.47Å; P1683-F1730 HydrophobicContact CG-CD1 4.41Å; P1683-F1730 HydrophobicContact CG-CE1 4.21Å; C1728-F1730 HydrophobicContact CB-CD2 4.21Å; C1728-F1730 HydrophobicContact CB-CE2 3.33Å; C1728-F1730 HydrophobicContact CB-CZ 3.63Å; C1728-F1730 VanDerWaalsContact O-CD2 3.23Å; C1728-F1730 WeakPolarHBondContact O-CD2 3.23Å; C1728-F1730 VanDerWaalsContact O-CE2 3.29Å; C1728-F1730 WeakPolarHBondContact O-CE2 3.08Å; F1730-G1732 PolarHBondContact O-N 2.88Å; F1730-L1733 HydrophobicContact CB-CB 3.9Å; F1730-L1733 HydrophobicContact CB-CD1 4.09Å; F1730-L1733 HydrophobicContact CB-CG 4.41Å; F1730-L1733 PolarHBondContact O-N 2.94Å; F1730-E1734 WeakPolarHBondContact CD2-O 3.4Å; F1730-N1735 PolarHBondContact N-OD1 2.86Å | ||
| 1731 | P | 68.4 | Low | 78.9 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 113.3 | -171.4 | -29 | 36.3 | 0 | 0 | 0 | 113.5 | I1681 K1682 | I1681-P1731 VanDerWaalsContact CG2-O 3.32Å; I1681-P1731 WeakPolarHBondContact CG2-O 3.5Å; K1682-P1731 VanDerWaalsContact O-CD 3.22Å; K1682-P1731 WeakPolarHBondContact O-CD 3.25Å |
| 1732 | G | 67.3 | Low | 79.2 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 85% | 0.845 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | 6.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1730 | F1730-G1732 PolarHBondContact O-N 2.88Š|
| 1733 | L | 72.5 | Confident | 79.3 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -133 | 176.8 | -176.4 | -46.7 | 171.3 | 0 | 0 | 0 | 110.8 | Q1654 V1655 V1678 I1681 F1730 | Q1654-L1733 HydrophobicContact CB-CB 4.31Å; Q1654-L1733 HydrophobicContact CB-CD1 3.84Å; Q1654-L1733 HydrophobicContact CB-CD2 3.95Å; Q1654-L1733 HydrophobicContact CB-CG 4.25Å; Q1654-L1733 HydrophobicContact CG-CD2 4.17Å; V1655-L1733 HydrophobicContact CG1-CB 3.44Å; V1655-L1733 VanDerWaalsContact CG1-CB 3.44Å; V1655-L1733 HydrophobicContact CG1-CD1 3.63Å; V1655-L1733 HydrophobicContact CG1-CG 4.18Å; V1678-L1733 HydrophobicContact CB-CD1 4.19Å; V1678-L1733 HydrophobicContact CG2-CD1 4.2Å; V1678-L1733 HydrophobicContact CG2-CD2 4.17Å; I1681-L1733 HydrophobicContact CB-CD1 4.15Å; I1681-L1733 HydrophobicContact CD1-CD1 3.71Å; I1681-L1733 HydrophobicContact CD1-CD2 3.71Å; I1681-L1733 HydrophobicContact CD1-CG 3.72Å; I1681-L1733 HydrophobicContact CG2-CD1 3.7Å; I1681-L1733 HydrophobicContact CG2-CG 4.28Å; F1730-L1733 HydrophobicContact CB-CB 3.9Å; F1730-L1733 HydrophobicContact CB-CD1 4.09Å; F1730-L1733 HydrophobicContact CB-CG 4.41Å; F1730-L1733 PolarHBondContact O-N 2.94Å |
| 1734 | E | 68 | Low | 80.3 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | trans | -64.5 | 131.8 | 175.8 | 178 | -179.7 | -101.2 | 0 | 0 | 112.1 | Q1651 V1655 F1730 R1736 | Q1651-E1734 PolarHBondContact NE2-OE1 2.71Å; V1655-E1734 WeakPolarHBondContact CG1-O 3.5Å; V1655-E1734 HydrophobicContact CG2-CB 4.13Å; V1655-E1734 WeakPolarHBondContact CG2-O 3.45Å; F1730-E1734 WeakPolarHBondContact CD2-O 3.4Å; E1734-R1736 IonicContact OE2-CZ 3.08Å; E1734-R1736 VanDerWaalsContact OE2-CZ 3.3Å; E1734-R1736 IonicContact OE2-NE 2.69Å; E1734-R1736 PolarHBondContact OE2-NE 2.02Å; E1734-R1736 IonicContact OE2-NH2 2.73Å; E1734-R1736 PolarHBondContact OE2-NH2 2.64Å | ||
| 1735 | N | 77.5 | Confident | 80.1 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | trans | -79.4 | 133.9 | 171.7 | -65.6 | -27.6 | 0 | 0 | 0 | 109.9 | I1729 F1730 | I1729-N1735 VanDerWaalsContact CA-OD1 3.28Å; I1729-N1735 WeakPolarHBondContact CA-OD1 3.32Å; I1729-N1735 WeakPolarHBondContact CG2-OD1 3.22Å; F1730-N1735 PolarHBondContact N-OD1 2.86Å | ||
| 1736 | R | 80.8 | Confident | 79.7 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 25% | 0.249 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 155.3 | 177 | -69.3 | -150.9 | 164.5 | -148.1 | -10.7 | 111.8 | V1655 I1657 H1727 C1728 E1734 | V1655-R1736 HydrophobicContact CG2-CG 4.08Å; V1655-R1736 WeakPolarHBondContact O-CD 3.38Å; I1657-R1736 VanDerWaalsContact CD1-C 3.48Å; I1657-R1736 HydrophobicContact CD1-CB 3.59Å; I1657-R1736 WeakPolarHBondContact CD1-O 3.42Å; I1657-R1736 HydrophobicContact CG1-CB 3.94Å; H1727-R1736 CarbonylContact C-O 3.54Å; H1727-R1736 VanDerWaalsContact CA-O 3.28Å; H1727-R1736 WeakPolarHBondContact CA-O 3.47Å; C1728-R1736 PolarHBondContact N-O 2.82Å; C1728-R1736 PolarHBondContact O-N 2.91Å; E1734-R1736 IonicContact OE2-CZ 3.08Å; E1734-R1736 VanDerWaalsContact OE2-CZ 3.3Å; E1734-R1736 IonicContact OE2-NE 2.69Å; E1734-R1736 PolarHBondContact OE2-NE 2.02Å; E1734-R1736 IonicContact OE2-NH2 2.73Å; E1734-R1736 PolarHBondContact OE2-NH2 2.64Å |
| 1737 | T | 81.5 | Confident | 78.6 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.4 | 180 | -46.1 | 0 | 0 | 0 | 0 | 110 | Q1725 I1726 H1727 | Q1725-T1737 HydrophobicContact CB-CG2 3.84Å; Q1725-T1737 HydrophobicContact CG-CG2 4.22Å; I1726-T1737 CarbonylContact O-C 3.57Å; I1726-T1737 VanDerWaalsContact O-CA 3.3Å; I1726-T1737 WeakPolarHBondContact O-CA 3.28Å; H1727-T1737 PolarHBondContact CE1-OG1 2.04Å; H1727-T1737 PolarHBondContact ND1-OG1 3.21Å |
| 1738 | T | 83.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.6 | 164.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | I1657 P1659 S1660 F1672 Q1725 I1726 | I1657-T1738 HydrophobicContact CG2-CG2 4.26Å; P1659-T1738 PolarHBondContact O-OG1 2.88Å; P1659-T1738 VanDerWaalsContact O-OG1 3.07Å; S1660-T1738 VanDerWaalsContact O-CA 3.28Å; S1660-T1738 WeakPolarHBondContact O-CA 3.42Å; S1660-T1738 PolarHBondContact O-OG1 3.41Å; S1660-T1738 VanDerWaalsContact O-OG1 3.12Å; F1672-T1738 HydrophobicContact CD1-CG2 4.13Å; F1672-T1738 HydrophobicContact CD2-CG2 3.96Å; F1672-T1738 HydrophobicContact CE1-CG2 3.85Å; F1672-T1738 HydrophobicContact CE2-CG2 3.66Å; F1672-T1738 HydrophobicContact CG-CG2 4.18Å; F1672-T1738 HydrophobicContact CZ-CG2 3.59Å; Q1725-T1738 WeakPolarHBondContact CA-O 3.09Å; I1726-T1738 HydrophobicContact CB-CG2 3.95Å; I1726-T1738 PolarHBondContact N-O 2.92Å; I1726-T1738 PolarHBondContact O-N 2.85Å |
| 1739 | V | 82 | Confident | 76 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.6 | -178.3 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | S1660 I1661 I1662 Q1725 E1741 | S1660-V1739 PolarHBondContact O-N 3.5Å; I1661-V1739 CarbonylContact C-O 3.56Å; I1661-V1739 WeakPolarHBondContact CA-O 3.14Å; I1662-V1739 PolarHBondContact N-O 3Å; Q1725-V1739 HydrophobicContact CG-CG2 4.41Å; V1739-E1741 HydrophobicContact CG1-CG 4.27Å |
| 1740 | I | 86.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.5 | 175.6 | -55.2 | 113.7 | 0 | 0 | 0 | 108.4 | I1662 V1664 F1670 F1724 I1726 I1742 | I1662-I1740 HydrophobicContact CB-CG1 4.31Å; I1662-I1740 HydrophobicContact CB-CG2 4.4Å; I1662-I1740 HydrophobicContact CD1-CG1 4.09Å; I1662-I1740 CarbonylContact O-C 3.52Å; V1664-I1740 HydrophobicContact CG1-CG2 3.52Å; F1670-I1740 HydrophobicContact CD1-CG2 4.3Å; F1670-I1740 HydrophobicContact CD2-CG1 4.43Å; F1670-I1740 HydrophobicContact CE1-CG2 3.76Å; F1670-I1740 HydrophobicContact CE2-CD1 4Å; F1670-I1740 HydrophobicContact CE2-CG1 3.7Å; F1670-I1740 HydrophobicContact CE2-CG2 4.2Å; F1670-I1740 HydrophobicContact CZ-CB 4.31Å; F1670-I1740 HydrophobicContact CZ-CD1 4.09Å; F1670-I1740 HydrophobicContact CZ-CG1 3.85Å; F1670-I1740 HydrophobicContact CZ-CG2 3.71Å; F1724-I1740 HydrophobicContact CB-CB 4.28Å; F1724-I1740 HydrophobicContact CB-CD1 4.48Å; F1724-I1740 HydrophobicContact CD1-CD1 4Å; F1724-I1740 PolarHBondContact N-O 2.82Å; F1724-I1740 PolarHBondContact O-N 2.92Å; I1726-I1740 HydrophobicContact CD1-CD1 4.05Å; I1726-I1740 HydrophobicContact CG1-CD1 4.32Å; I1740-I1742 HydrophobicContact CG2-CG1 3.99Å; I1740-I1742 PolarHBondContact O-N 3.31Å |
| 1741 | E | 79.6 | Confident | 75.6 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 94.8 | 177.1 | -76.9 | -169.6 | -144.3 | 0 | 0 | 109.9 | I1662 H1663 V1664 V1739 | I1662-E1741 PolarHBondContact O-N 3.19Å; H1663-E1741 WeakPolarHBondContact CA-O 3.09Å; H1663-E1741 IonicContact CE1-OE1 2.74Å; H1663-E1741 IonicContact CE1-OE2 3.62Å; H1663-E1741 PolarHBondContact CE1-OE2 2.69Å; H1663-E1741 IonicContact ND1-OE2 3.85Å; H1663-E1741 PolarHBondContact ND1-OE2 2.82Å; H1663-E1741 VanDerWaalsContact ND1-OE2 3.09Å; V1664-E1741 PolarHBondContact N-O 2.8Å; V1739-E1741 HydrophobicContact CG1-CG 4.27Å |
| 1742 | I | 82.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.9 | 178.6 | -50.9 | 159.5 | 0 | 0 | 0 | 108 | V1664 P1666 L1717 T1718 D1721 H1722 I1740 | V1664-I1742 HydrophobicContact CG1-CG1 4.08Å; V1664-I1742 CarbonylContact O-C 3.44Å; V1664-I1742 WeakPolarHBondContact O-CA 3.39Å; P1666-I1742 HydrophobicContact CB-CG2 4.49Å; P1666-I1742 HydrophobicContact CG-CG2 4.11Å; L1717-I1742 HydrophobicContact CB-CD1 3.38Å; L1717-I1742 HydrophobicContact CB-CG1 4.26Å; L1717-I1742 HydrophobicContact CD1-CD1 3.95Å; L1717-I1742 HydrophobicContact CG-CD1 4.34Å; T1718-I1742 WeakPolarHBondContact O-CD1 3.45Å; D1721-I1742 HydrophobicContact CB-CD1 3.57Å; H1722-I1742 HydrophobicContact CB-CB 4.34Å; H1722-I1742 PolarHBondContact ND1-N 2.9Å; H1722-I1742 PolarHBondContact ND1-O 2.89Å; I1740-I1742 HydrophobicContact CG2-CG1 3.99Å; I1740-I1742 PolarHBondContact O-N 3.31Å |
| 1743 | E | 77.8 | Confident | 77 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | trans | -55.8 | 143 | 175.3 | -64.4 | 178.5 | -169.4 | 0 | 0 | 109.6 | V1664 Q1665 P1666 P1745 | V1664-E1743 PolarHBondContact O-N 2.88Å; Q1665-E1743 WeakPolarHBondContact CG-OE2 3.29Å; Q1665-E1743 PolarHBondContact NE2-OE2 3.08Å; P1666-E1743 VanDerWaalsContact CD-O 3.26Å; P1666-E1743 WeakPolarHBondContact CD-O 3.24Å; P1666-E1743 VanDerWaalsContact CG-O 3.22Å; P1666-E1743 WeakPolarHBondContact CG-O 3.29Å; E1743-P1745 VanDerWaalsContact C-CD 3.42Å; E1743-P1745 WeakPolarHBondContact O-CD 3.43Å | ||
| 1744 | R | 80.6 | Confident | 77.2 | Confident | 139 Ų | 139 | 52.8 Ų | 52.8 | 53% | 0.525 | 28% | 0.279 | S | S | . | . | trans | -113.7 | 78.7 | 178.6 | -58.7 | -162.9 | -83.9 | -151.1 | -7 | 109.6 | D1719 H1722 C1746 | D1719-R1744 HydrophobicContact CB-CB 4.22Å; D1719-R1744 HydrophobicContact CB-CG 3.78Å; H1722-R1744 HydrophobicContact CB-CG 4.33Å; H1722-R1744 PolarHBondContact CD2-NH1 2.91Å; H1722-R1744 VanDerWaalsContact CD2-NH1 3.34Å; H1722-R1744 PolarHBondContact CD2-NH2 2.82Å; H1722-R1744 PolarHBondContact NE2-NH2 2.63Å; H1722-R1744 PolarHBondContact O-NH1 2.98Å; R1744-C1746 PolarHBondContact O-N 3.19Å | ||
| 1745 | P | 78 | Confident | 77.5 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | trans | -73.8 | -9.3 | -176.1 | 31.3 | -36.4 | 0 | 0 | 0 | 113.3 | P1666 E1743 Q1752 | P1666-P1745 HydrophobicContact CG-CG 4Å; E1743-P1745 VanDerWaalsContact C-CD 3.42Å; E1743-P1745 WeakPolarHBondContact O-CD 3.43Å; P1745-Q1752 HydrophobicContact CG-CB 4.19Å; P1745-Q1752 HydrophobicContact CG-CG 4.13Å; P1745-Q1752 VanDerWaalsContact CG-OE1 3.26Å | ||
| 1746 | C | 77.5 | Confident | 77.3 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -95.3 | 151.2 | 178.8 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | R1744 Q1750 F1751 Q1752 C1758 | R1744-C1746 PolarHBondContact O-N 3.19Å; C1746-Q1750 HydrophobicContact CB-CB 4.29Å; C1746-F1751 VanDerWaalsContact SG-C 3.54Å; C1746-F1751 PolarHBondContact SG-O 3.06Å; C1746-Q1752 WeakPolarHBondContact SG-CA 3Å; C1746-Q1752 VanDerWaalsContact SG-CB 3.52Å; C1746-Q1752 PolarHBondContact SG-N 2.83Å; C1746-C1758 WeakPolarHBondContact CA-SG 3.2Å; C1746-C1758 HydrophobicContact CB-CB 3.69Å; C1746-C1758 WeakPolarHBondContact CB-SG 3.48Å; C1746-C1758 WeakPolarHBondContact SG-CA 3.23Å; C1746-C1758 WeakPolarHBondContact SG-CB 3.36Å; C1746-C1758 CovalentContact SG-SG 2.03Å; C1746-C1758 PolarHBondContact SG-SG 2.03Å |
| 1747 | P | 62.6 | Low | 77.2 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 40% | 0.403 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.8 | 178 | -23.6 | 33.8 | 0 | 0 | 0 | 112.3 | G1749 Q1750 | P1747-G1749 PolarHBondContact O-N 3.04Å; P1747-Q1750 WeakPolarHBondContact O-CA 3.25Å; P1747-Q1750 VanDerWaalsContact O-CB 3.27Å; P1747-Q1750 WeakPolarHBondContact O-CB 3.34Å; P1747-Q1750 PolarHBondContact O-N 3.29Å |
| 1748 | S | 59.2 | Low | 77.2 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 131.1 | 178.4 | -80 | 0 | 0 | 0 | 0 | 113 | P404 Y406 | P404-S1748 WeakPolarHBondContact CG-OG 3.38Å; Y406-S1748 PolarHBondContact OH-N 2.03Å; Y406-S1748 PolarHBondContact OH-OG 2.62Å |
| 1749 | G | 64.7 | Low | 76.7 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1747 P1760 F1761 | P1747-G1749 PolarHBondContact O-N 3.04Å; G1749-P1760 CarbonylContact O-C 3.57Å; G1749-P1760 WeakPolarHBondContact O-CA 3.41Å; G1749-F1761 PolarHBondContact O-N 2.99Å |
| 1750 | Q | 77.9 | Confident | 76.2 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.6 | 169.5 | -50.5 | -166.8 | -20.8 | 0 | 0 | 110.3 | C1746 P1747 C1758 L1759 P1760 | C1746-Q1750 HydrophobicContact CB-CB 4.29Å; P1747-Q1750 WeakPolarHBondContact O-CA 3.25Å; P1747-Q1750 VanDerWaalsContact O-CB 3.27Å; P1747-Q1750 WeakPolarHBondContact O-CB 3.34Å; P1747-Q1750 PolarHBondContact O-N 3.29Å; Q1750-C1758 HydrophobicContact CB-CB 4.26Å; Q1750-L1759 CarbonylContact C-O 3.4Å; Q1750-L1759 WeakPolarHBondContact CA-O 3.39Å; Q1750-L1759 VanDerWaalsContact CB-O 3.28Å; Q1750-L1759 WeakPolarHBondContact CB-O 3.06Å; Q1750-P1760 HydrophobicContact CG-CG 4.45Å |
| 1751 | F | 79 | Confident | 75.2 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 164.4 | 173 | -56.8 | -63.4 | 0 | 0 | 0 | 110.7 | D1719 R1720 C1746 C1758 L1759 F1761 F1764 | D1719-F1751 HydrophobicContact CB-CD1 4.4Å; D1719-F1751 WeakPolarHBondContact OD1-CB 3.33Å; D1719-F1751 WeakPolarHBondContact OD2-CA 3.47Å; R1720-F1751 HydrophobicContact CB-CD1 4.45Å; R1720-F1751 HydrophobicContact CB-CE1 4.36Å; R1720-F1751 HydrophobicContact CB-CZ 4.42Å; R1720-F1751 HydrophobicContact CG-CB 4.12Å; R1720-F1751 HydrophobicContact CG-CD1 3.73Å; R1720-F1751 HydrophobicContact CG-CD2 3.41Å; R1720-F1751 VanDerWaalsContact CG-CD2 3.41Å; R1720-F1751 HydrophobicContact CG-CE1 3.91Å; R1720-F1751 HydrophobicContact CG-CE2 3.59Å; R1720-F1751 HydrophobicContact CG-CG 3.48Å; R1720-F1751 VanDerWaalsContact CG-CG 3.48Å; R1720-F1751 HydrophobicContact CG-CZ 3.84Å; C1746-F1751 VanDerWaalsContact SG-C 3.54Å; C1746-F1751 PolarHBondContact SG-O 3.06Å; F1751-C1758 WeakPolarHBondContact O-CA 3.45Å; F1751-L1759 PolarHBondContact N-O 3.27Å; F1751-L1759 PolarHBondContact O-N 2.71Å; F1751-L1759 VanDerWaalsContact O-N 3.08Å; F1751-F1761 HydrophobicContact CD2-CB 4.09Å; F1751-F1761 HydrophobicContact CE2-CB 3.49Å; F1751-F1761 VanDerWaalsContact CE2-CB 3.49Å; F1751-F1761 HydrophobicContact CZ-CB 4.23Å; F1751-F1764 HydrophobicContact CB-CD2 3.84Å; F1751-F1764 HydrophobicContact CB-CE1 4.27Å; F1751-F1764 HydrophobicContact CB-CE2 3.56Å; F1751-F1764 HydrophobicContact CB-CG 4.31Å; F1751-F1764 HydrophobicContact CB-CZ 3.81Å; F1751-F1764 HydrophobicContact CD2-CD2 4.06Å; F1751-F1764 HydrophobicContact CD2-CG 4.28Å; F1751-F1764 HydrophobicContact CG-CD2 4.47Å; F1751-F1764 WeakPolarHBondContact O-CE2 3.17Å; F1751-F1764 WeakPolarHBondContact O-CZ 3.42Å |
| 1752 | Q | 83.1 | Confident | 74.7 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.2 | -176.3 | -152 | -176 | 29.5 | 0 | 0 | 112.8 | P1666 Y1667 D1719 P1745 C1746 G1756 R1757 F1764 | P1666-Q1752 HydrophobicContact CB-CB 4.37Å; P1666-Q1752 HydrophobicContact CG-CB 4.33Å; Y1667-Q1752 VanDerWaalsContact CE2-O 3.23Å; Y1667-Q1752 WeakPolarHBondContact CE2-O 3.44Å; Y1667-Q1752 PolarHBondContact OH-O 2.92Å; D1719-Q1752 PolarHBondContact OD1-N 3.41Å; D1719-Q1752 PolarHBondContact OD2-N 3.28Å; P1745-Q1752 HydrophobicContact CG-CB 4.19Å; P1745-Q1752 HydrophobicContact CG-CG 4.13Å; P1745-Q1752 VanDerWaalsContact CG-OE1 3.26Å; C1746-Q1752 WeakPolarHBondContact SG-CA 3Å; C1746-Q1752 VanDerWaalsContact SG-CB 3.52Å; C1746-Q1752 PolarHBondContact SG-N 2.83Å; Q1752-G1756 PolarHBondContact NE2-O 3.45Å; Q1752-R1757 CarbonylContact C-O 3.57Å; Q1752-R1757 WeakPolarHBondContact CA-O 3.22Å; Q1752-R1757 WeakPolarHBondContact CG-O 3.31Å; Q1752-F1764 WeakPolarHBondContact O-CZ 3.45Å |
| 1753 | C | 81.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -77.4 | 156.5 | 163 | -63.5 | 0 | 0 | 0 | 0 | 110.7 | Y1667 D1755 G1756 R1757 C1771 | Y1667-C1753 WeakPolarHBondContact CE2-O 3.48Å; Y1667-C1753 WeakPolarHBondContact OH-CA 3.25Å; C1753-D1755 WeakPolarHBondContact CB-OD1 3.49Å; C1753-D1755 PolarHBondContact O-N 3.33Å; C1753-G1756 WeakPolarHBondContact O-CA 3.31Å; C1753-G1756 PolarHBondContact O-N 3.4Å; C1753-R1757 HydrophobicContact CB-CB 4.1Å; C1753-R1757 PolarHBondContact N-O 3.03Å; C1753-C1771 HydrophobicContact CB-CB 3.81Å; C1753-C1771 WeakPolarHBondContact CB-SG 3.24Å; C1753-C1771 WeakPolarHBondContact SG-CB 3.28Å; C1753-C1771 CovalentContact SG-SG 2.03Å; C1753-C1771 PolarHBondContact SG-SG 2.88Å | ||
| 1754 | M | 76 | Confident | 74 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 49% | 0.493 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.7 | 178.7 | -160 | 174.2 | 178.7 | 0 | 0 | 112.6 | Y1667 G1756 D1773 S1775 Y1781 | Y1667-M1754 HydrophobicContact CD1-CB 4Å; Y1667-M1754 HydrophobicContact CD1-CG 3.89Å; Y1667-M1754 HydrophobicContact CD1-SD 4.01Å; Y1667-M1754 HydrophobicContact CD2-CB 3.84Å; Y1667-M1754 HydrophobicContact CD2-CG 3.93Å; Y1667-M1754 HydrophobicContact CE1-CB 3.96Å; Y1667-M1754 HydrophobicContact CE1-CG 4.36Å; Y1667-M1754 VanDerWaalsContact CE2-CA 3.43Å; Y1667-M1754 HydrophobicContact CE2-CB 3.84Å; Y1667-M1754 HydrophobicContact CE2-CG 4.42Å; Y1667-M1754 HydrophobicContact CG-CB 3.88Å; Y1667-M1754 HydrophobicContact CG-CG 3.58Å; Y1667-M1754 HydrophobicContact CG-SD 4.2Å; Y1667-M1754 PolarHBondContact OH-N 3.48Å; M1754-G1756 VanDerWaalsContact C-N 3.26Å; M1754-D1773 VanDerWaalsContact CB-OD2 3.31Å; M1754-D1773 WeakPolarHBondContact CB-OD2 3.05Å; M1754-S1775 WeakPolarHBondContact CB-OG 3.31Å; M1754-Y1781 HydrophobicContact SD-CE2 4.23Å |
| 1755 | D | 76 | Confident | 73.5 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.3 | 164.9 | 81.2 | -9.1 | 0 | 0 | 0 | 114.3 | C1753 R1757 S1772 D1773 | C1753-D1755 WeakPolarHBondContact CB-OD1 3.49Å; C1753-D1755 PolarHBondContact O-N 3.33Å; D1755-R1757 VanDerWaalsContact OD1-CB 3.27Å; D1755-R1757 WeakPolarHBondContact OD1-CB 3.41Å; D1755-R1757 VanDerWaalsContact OD1-CG 3.29Å; D1755-R1757 WeakPolarHBondContact OD1-CG 3.17Å; D1755-R1757 PolarHBondContact OD1-N 2.77Å; D1755-R1757 WeakPolarHBondContact OD2-CD 3.28Å; D1755-R1757 IonicContact OD2-NE 3.13Å; D1755-R1757 PolarHBondContact OD2-NE 2.72Å; D1755-S1772 WeakPolarHBondContact OD2-CB 3.48Å; D1755-S1772 PolarHBondContact OD2-N 3.11Å; D1755-S1772 PolarHBondContact OD2-OG 3.05Å; D1755-D1773 HydrophobicContact CB-CB 4.31Å; D1755-D1773 PolarHBondContact N-OD2 2.94Å |
| 1756 | G | 71.5 | Confident | 72.7 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 94.3 | -5.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1752 C1753 M1754 | Q1752-G1756 PolarHBondContact NE2-O 3.45Å; C1753-G1756 WeakPolarHBondContact O-CA 3.31Å; C1753-G1756 PolarHBondContact O-N 3.4Å; M1754-G1756 VanDerWaalsContact C-N 3.26Å |
| 1757 | R | 78.8 | Confident | 71.9 | Confident | 141 Ų | 141 | 54.6 Ų | 54.6 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | trans | -68.2 | 163.5 | 175.6 | -68.8 | 179.3 | 177.9 | -168.3 | 4.3 | 112.3 | Q1752 C1753 D1755 S1772 | Q1752-R1757 CarbonylContact C-O 3.57Å; Q1752-R1757 WeakPolarHBondContact CA-O 3.22Å; Q1752-R1757 WeakPolarHBondContact CG-O 3.31Å; C1753-R1757 HydrophobicContact CB-CB 4.1Å; C1753-R1757 PolarHBondContact N-O 3.03Å; D1755-R1757 VanDerWaalsContact OD1-CB 3.27Å; D1755-R1757 WeakPolarHBondContact OD1-CB 3.41Å; D1755-R1757 VanDerWaalsContact OD1-CG 3.29Å; D1755-R1757 WeakPolarHBondContact OD1-CG 3.17Å; D1755-R1757 PolarHBondContact OD1-N 2.77Å; D1755-R1757 WeakPolarHBondContact OD2-CD 3.28Å; D1755-R1757 IonicContact OD2-NE 3.13Å; D1755-R1757 PolarHBondContact OD2-NE 2.72Å; R1757-S1772 PolarHBondContact NE-OG 2.8Å; R1757-S1772 PolarHBondContact NH1-OG 3.17Å; R1757-S1772 PolarHBondContact NH2-OG 3.29Å; R1757-S1772 VanDerWaalsContact NH2-OG 3.11Å | ||
| 1758 | C | 81.5 | Confident | 71.8 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.9 | 174 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | C1746 Q1750 F1751 | C1746-C1758 WeakPolarHBondContact CA-SG 3.2Å; C1746-C1758 HydrophobicContact CB-CB 3.69Å; C1746-C1758 WeakPolarHBondContact CB-SG 3.48Å; C1746-C1758 WeakPolarHBondContact SG-CA 3.23Å; C1746-C1758 WeakPolarHBondContact SG-CB 3.36Å; C1746-C1758 CovalentContact SG-SG 2.03Å; C1746-C1758 PolarHBondContact SG-SG 2.03Å; Q1750-C1758 HydrophobicContact CB-CB 4.26Å; F1751-C1758 WeakPolarHBondContact O-CA 3.45Å |
| 1759 | L | 73.4 | Confident | 72.3 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.8 | 173.8 | -55 | 168.3 | 0 | 0 | 0 | 110.7 | Q1750 F1751 L1763 F1764 D1770 C1771 D1776 | Q1750-L1759 CarbonylContact C-O 3.4Å; Q1750-L1759 WeakPolarHBondContact CA-O 3.39Å; Q1750-L1759 VanDerWaalsContact CB-O 3.28Å; Q1750-L1759 WeakPolarHBondContact CB-O 3.06Å; F1751-L1759 PolarHBondContact N-O 3.27Å; F1751-L1759 PolarHBondContact O-N 2.71Å; F1751-L1759 VanDerWaalsContact O-N 3.08Å; L1759-L1763 HydrophobicContact CB-CB 4.26Å; L1759-L1763 HydrophobicContact CB-CD1 4.45Å; L1759-F1764 HydrophobicContact CB-CD2 4.13Å; L1759-F1764 HydrophobicContact CB-CE2 3.66Å; L1759-F1764 HydrophobicContact CD1-CE2 4.33Å; L1759-F1764 HydrophobicContact CG-CE2 4.36Å; L1759-F1764 WeakPolarHBondContact O-CE2 3.46Å; L1759-D1770 HydrophobicContact CD1-CB 3.7Å; L1759-D1770 HydrophobicContact CD2-CB 4.09Å; L1759-C1771 HydrophobicContact CD1-CB 4.48Å; L1759-C1771 VanDerWaalsContact CD1-SG 3.51Å; L1759-D1776 HydrophobicContact CD1-CB 4.12Å; L1759-D1776 WeakPolarHBondContact CD1-OD2 2.97Å |
| 1760 | P | 72.3 | Confident | 72.8 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -45.5 | 144.7 | 170.2 | -31.6 | 35.9 | 0 | 0 | 0 | 114.8 | G1749 Q1750 N1762 L1763 | G1749-P1760 CarbonylContact O-C 3.57Å; G1749-P1760 WeakPolarHBondContact O-CA 3.41Å; Q1750-P1760 HydrophobicContact CG-CG 4.45Å; P1760-N1762 VanDerWaalsContact CB-OD1 3.28Å; P1760-N1762 WeakPolarHBondContact CB-OD1 3.37Å; P1760-N1762 PolarHBondContact O-N 2.74Å; P1760-L1763 HydrophobicContact CB-CG 4.35Å; P1760-L1763 HydrophobicContact CG-CD1 4.36Å; P1760-L1763 PolarHBondContact O-N 2.79Å |
| 1761 | F | 65.8 | Low | 72.6 | Confident | 132 Ų | 132 | 54.7 Ų | 54.7 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.7 | -175.4 | 77.2 | -90.3 | 0 | 0 | 0 | 113.8 | G1749 F1751 | G1749-F1761 PolarHBondContact O-N 2.99Å; F1751-F1761 HydrophobicContact CD2-CB 4.09Å; F1751-F1761 HydrophobicContact CE2-CB 3.49Å; F1751-F1761 VanDerWaalsContact CE2-CB 3.49Å; F1751-F1761 HydrophobicContact CZ-CB 4.23Å |
| 1762 | N | 68.9 | Low | 72.2 | Confident | 92 Ų | 92 | 56 Ų | 56 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | -179.6 | 69.3 | -83.5 | 0 | 0 | 0 | 114.2 | P1760 D1766 | P1760-N1762 VanDerWaalsContact CB-OD1 3.28Å; P1760-N1762 WeakPolarHBondContact CB-OD1 3.37Å; P1760-N1762 PolarHBondContact O-N 2.74Å; N1762-D1766 WeakPolarHBondContact O-CB 3.48Å |
| 1763 | L | 73.5 | Confident | 71.6 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -21.5 | 172 | -57.9 | -175 | 0 | 0 | 0 | 112 | L1759 P1760 C1765 D1766 | L1759-L1763 HydrophobicContact CB-CB 4.26Å; L1759-L1763 HydrophobicContact CB-CD1 4.45Å; P1760-L1763 HydrophobicContact CB-CG 4.35Å; P1760-L1763 HydrophobicContact CG-CD1 4.36Å; P1760-L1763 PolarHBondContact O-N 2.79Å; L1763-C1765 PolarHBondContact O-N 3.48Å; L1763-D1766 PolarHBondContact O-N 3.38Å |
| 1764 | F | 72.7 | Confident | 71 | Confident | 14 Ų | 14 | 60 Ų | 60 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 120.3 | 171.7 | -86 | -94.8 | 0 | 0 | 0 | 111 | F1751 Q1752 L1759 D1766 D1776 | F1751-F1764 HydrophobicContact CB-CD2 3.84Å; F1751-F1764 HydrophobicContact CB-CE1 4.27Å; F1751-F1764 HydrophobicContact CB-CE2 3.56Å; F1751-F1764 HydrophobicContact CB-CG 4.31Å; F1751-F1764 HydrophobicContact CB-CZ 3.81Å; F1751-F1764 HydrophobicContact CD2-CD2 4.06Å; F1751-F1764 HydrophobicContact CD2-CG 4.28Å; F1751-F1764 HydrophobicContact CG-CD2 4.47Å; F1751-F1764 WeakPolarHBondContact O-CE2 3.17Å; F1751-F1764 WeakPolarHBondContact O-CZ 3.42Å; Q1752-F1764 WeakPolarHBondContact O-CZ 3.45Å; L1759-F1764 HydrophobicContact CB-CD2 4.13Å; L1759-F1764 HydrophobicContact CB-CE2 3.66Å; L1759-F1764 HydrophobicContact CD1-CE2 4.33Å; L1759-F1764 HydrophobicContact CG-CE2 4.36Å; L1759-F1764 WeakPolarHBondContact O-CE2 3.46Å; F1764-D1766 VanDerWaalsContact C-N 3.29Å; F1764-D1766 PolarHBondContact O-N 2.76Å; F1764-D1776 HydrophobicContact CD1-CB 4.04Å; F1764-D1776 HydrophobicContact CE1-CB 4.11Å; F1764-D1776 HydrophobicContact CG-CB 4.45Å |
| 1765 | C | 69.1 | Low | 70.8 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 36.3 | -176.4 | -43.8 | 0 | 0 | 0 | 0 | 114 | R1720 L1763 D1776 E1777 C1782 N1785 | R1720-C1765 PolarHBondContact NH1-SG 2.03Å; L1763-C1765 PolarHBondContact O-N 3.48Å; C1765-D1776 PolarHBondContact N-O 2.73Å; C1765-D1776 PolarHBondContact SG-O 3.12Å; C1765-D1776 VanDerWaalsContact SG-O 3.39Å; C1765-E1777 VanDerWaalsContact C-OE1 3.24Å; C1765-E1777 WeakPolarHBondContact CA-OE1 3Å; C1765-C1782 HydrophobicContact CB-CB 4.22Å; C1765-C1782 WeakPolarHBondContact CB-SG 3.18Å; C1765-C1782 WeakPolarHBondContact SG-CA 3.29Å; C1765-C1782 WeakPolarHBondContact SG-CB 3.29Å; C1765-C1782 CovalentContact SG-SG 2.05Å; C1765-C1782 PolarHBondContact SG-SG 2.88Å; C1765-N1785 WeakPolarHBondContact CB-OD1 3.16Å; C1765-N1785 PolarHBondContact SG-OD1 2.91Å |
| 1766 | D | 61.6 | Low | 70.7 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -78.4 | -24.8 | 175.4 | 123.1 | -52.9 | 0 | 0 | 0 | 112.6 | N1762 L1763 F1764 K1768 E1777 | N1762-D1766 WeakPolarHBondContact O-CB 3.48Å; L1763-D1766 PolarHBondContact O-N 3.38Å; F1764-D1766 VanDerWaalsContact C-N 3.29Å; F1764-D1766 PolarHBondContact O-N 2.76Å; D1766-K1768 VanDerWaalsContact OD1-CB 3.31Å; D1766-K1768 WeakPolarHBondContact OD1-CB 3.34Å; D1766-K1768 PolarHBondContact OD1-N 2.87Å; D1766-K1768 IonicContact OD1-NZ 3.41Å; D1766-K1768 PolarHBondContact OD1-NZ 2.84Å; D1766-K1768 IonicContact OD2-NZ 3.38Å; D1766-K1768 PolarHBondContact OD2-NZ 3.42Å; D1766-E1777 PolarHBondContact N-OE1 2.92Å |
| 1767 | G | 61.5 | Low | 70.7 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 116.9 | 2.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1777 | G1767-E1777 WeakPolarHBondContact CA-OE1 3.3Å; G1767-E1777 WeakPolarHBondContact CA-OE2 3.47Å; G1767-E1777 PolarHBondContact N-OE1 2.77Å; G1767-E1777 PolarHBondContact N-OE2 3.02Å |
| 1768 | K | 59.2 | Low | 70.2 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 47% | 0.47 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -131.6 | 139.7 | -178.2 | -63.6 | -176 | -98 | 63.6 | 0 | 111.5 | D1766 D1770 E1777 | D1766-K1768 VanDerWaalsContact OD1-CB 3.31Å; D1766-K1768 WeakPolarHBondContact OD1-CB 3.34Å; D1766-K1768 PolarHBondContact OD1-N 2.87Å; D1766-K1768 IonicContact OD1-NZ 3.41Å; D1766-K1768 PolarHBondContact OD1-NZ 2.84Å; D1766-K1768 IonicContact OD2-NZ 3.38Å; D1766-K1768 PolarHBondContact OD2-NZ 3.42Å; K1768-D1770 PolarHBondContact O-N 3Å; K1768-E1777 VanDerWaalsContact C-CG 3.43Å; K1768-E1777 PolarHBondContact N-OE1 3.24Å; K1768-E1777 VanDerWaalsContact O-CG 3.22Å; K1768-E1777 WeakPolarHBondContact O-CG 3.4Å |
| 1769 | S | 70.3 | Confident | 69.2 | Low | 63 Ų | 63 | 54.9 Ų | 54.9 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | trans | -79.7 | 95.2 | 173.1 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | C1771 S1774 | S1769-C1771 PolarHBondContact OG-O 2.9Å; S1769-S1774 WeakPolarHBondContact CB-OG 3.19Å; S1769-S1774 WeakPolarHBondContact OG-CA 3.33Å; S1769-S1774 WeakPolarHBondContact OG-CB 3.02Å; S1769-S1774 PolarHBondContact OG-OG 3.19Å | ||
| 1770 | D | 75.2 | Confident | 68.7 | Low | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | trans | -94 | -21 | 172.2 | -69.8 | -28.2 | 0 | 0 | 0 | 111.5 | L1759 K1768 D1776 | L1759-D1770 HydrophobicContact CD1-CB 3.7Å; L1759-D1770 HydrophobicContact CD2-CB 4.09Å; K1768-D1770 PolarHBondContact O-N 3Å; D1770-D1776 WeakPolarHBondContact CA-OD2 3.5Å; D1770-D1776 PolarHBondContact N-OD2 2.91Å | ||
| 1771 | C | 74.4 | Confident | 68.4 | Low | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.4 | 150 | 166 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | C1753 L1759 S1769 D1773 S1774 D1776 | C1753-C1771 HydrophobicContact CB-CB 3.81Å; C1753-C1771 WeakPolarHBondContact CB-SG 3.24Å; C1753-C1771 WeakPolarHBondContact SG-CB 3.28Å; C1753-C1771 CovalentContact SG-SG 2.03Å; C1753-C1771 PolarHBondContact SG-SG 2.88Å; L1759-C1771 HydrophobicContact CD1-CB 4.48Å; L1759-C1771 VanDerWaalsContact CD1-SG 3.51Å; S1769-C1771 PolarHBondContact OG-O 2.9Å; C1771-D1773 VanDerWaalsContact CB-OD1 3.29Å; C1771-D1773 WeakPolarHBondContact CB-OD1 3.49Å; C1771-D1773 PolarHBondContact O-N 2.78Å; C1771-S1774 PolarHBondContact O-N 2.84Å; C1771-D1776 HydrophobicContact CB-CB 4.38Å; C1771-D1776 PolarHBondContact N-OD2 3.44Å; C1771-D1776 WeakPolarHBondContact SG-CB 3.18Å; C1771-D1776 PolarHBondContact SG-N 3.34Å; C1771-D1776 VanDerWaalsContact SG-N 3.42Å |
| 1772 | S | 69.3 | Low | 68.2 | Low | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.2 | -178.9 | -32.6 | 0 | 0 | 0 | 0 | 114.1 | D1755 R1757 | D1755-S1772 WeakPolarHBondContact OD2-CB 3.48Å; D1755-S1772 PolarHBondContact OD2-N 3.11Å; D1755-S1772 PolarHBondContact OD2-OG 3.05Å; R1757-S1772 PolarHBondContact NE-OG 2.8Å; R1757-S1772 PolarHBondContact NH1-OG 3.17Å; R1757-S1772 PolarHBondContact NH2-OG 3.29Å; R1757-S1772 VanDerWaalsContact NH2-OG 3.11Å |
| 1773 | D | 70.6 | Confident | 67.1 | Low | 65 Ų | 65 | 48.5 Ų | 48.5 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 4.7 | -177.3 | 67.3 | -21.8 | 0 | 0 | 0 | 112.4 | M1754 D1755 C1771 S1775 | M1754-D1773 VanDerWaalsContact CB-OD2 3.31Å; M1754-D1773 WeakPolarHBondContact CB-OD2 3.05Å; D1755-D1773 HydrophobicContact CB-CB 4.31Å; D1755-D1773 PolarHBondContact N-OD2 2.94Å; C1771-D1773 VanDerWaalsContact CB-OD1 3.29Å; C1771-D1773 WeakPolarHBondContact CB-OD1 3.49Å; C1771-D1773 PolarHBondContact O-N 2.78Å; D1773-S1775 VanDerWaalsContact C-N 3.27Å; D1773-S1775 PolarHBondContact O-N 3.41Å; D1773-S1775 WeakPolarHBondContact OD1-CB 3.17Å; D1773-S1775 PolarHBondContact OD1-N 3.22Å; D1773-S1775 VanDerWaalsContact OD1-N 3.16Å; D1773-S1775 PolarHBondContact OD1-OG 3.17Å; D1773-S1775 VanDerWaalsContact OD2-CB 3.32Å; D1773-S1775 WeakPolarHBondContact OD2-CB 3.32Å; D1773-S1775 PolarHBondContact OD2-OG 3.21Å |
| 1774 | S | 70 | Confident | 65.9 | Low | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | trans | 59.1 | 27.7 | -175.3 | -48.9 | 0 | 0 | 0 | 0 | 115 | S1769 C1771 D1776 E1777 S1778 | S1769-S1774 WeakPolarHBondContact CB-OG 3.19Å; S1769-S1774 WeakPolarHBondContact OG-CA 3.33Å; S1769-S1774 WeakPolarHBondContact OG-CB 3.02Å; S1769-S1774 PolarHBondContact OG-OG 3.19Å; C1771-S1774 PolarHBondContact O-N 2.84Å; S1774-D1776 VanDerWaalsContact C-N 3.32Å; S1774-D1776 WeakPolarHBondContact CA-OD1 3.48Å; S1774-D1776 PolarHBondContact O-N 2.6Å; S1774-E1777 PolarHBondContact O-N 2.92Å; S1774-S1778 PolarHBondContact O-N 3Å | ||
| 1775 | S | 70.5 | Confident | 64.6 | Low | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | trans | -76.8 | -12.7 | -177.7 | -75.6 | 0 | 0 | 0 | 0 | 115.7 | M1754 D1773 | M1754-S1775 WeakPolarHBondContact CB-OG 3.31Å; D1773-S1775 VanDerWaalsContact C-N 3.27Å; D1773-S1775 PolarHBondContact O-N 3.41Å; D1773-S1775 WeakPolarHBondContact OD1-CB 3.17Å; D1773-S1775 PolarHBondContact OD1-N 3.22Å; D1773-S1775 VanDerWaalsContact OD1-N 3.16Å; D1773-S1775 PolarHBondContact OD1-OG 3.17Å; D1773-S1775 VanDerWaalsContact OD2-CB 3.32Å; D1773-S1775 WeakPolarHBondContact OD2-CB 3.32Å; D1773-S1775 PolarHBondContact OD2-OG 3.21Å | ||
| 1776 | D | 74.3 | Confident | 64.2 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.9 | -38.6 | 166.5 | 44.9 | -2.6 | 0 | 0 | 0 | 113.1 | L1759 F1764 C1765 D1770 C1771 S1774 C1782 | L1759-D1776 HydrophobicContact CD1-CB 4.12Å; L1759-D1776 WeakPolarHBondContact CD1-OD2 2.97Å; F1764-D1776 HydrophobicContact CD1-CB 4.04Å; F1764-D1776 HydrophobicContact CE1-CB 4.11Å; F1764-D1776 HydrophobicContact CG-CB 4.45Å; C1765-D1776 PolarHBondContact N-O 2.73Å; C1765-D1776 PolarHBondContact SG-O 3.12Å; C1765-D1776 VanDerWaalsContact SG-O 3.39Å; D1770-D1776 WeakPolarHBondContact CA-OD2 3.5Å; D1770-D1776 PolarHBondContact N-OD2 2.91Å; C1771-D1776 HydrophobicContact CB-CB 4.38Å; C1771-D1776 PolarHBondContact N-OD2 3.44Å; C1771-D1776 WeakPolarHBondContact SG-CB 3.18Å; C1771-D1776 PolarHBondContact SG-N 3.34Å; C1771-D1776 VanDerWaalsContact SG-N 3.42Å; S1774-D1776 VanDerWaalsContact C-N 3.32Å; S1774-D1776 WeakPolarHBondContact CA-OD1 3.48Å; S1774-D1776 PolarHBondContact O-N 2.6Å; D1776-C1782 PolarHBondContact O-SG 2.73Å |
| 1777 | E | 72.4 | Confident | 64.5 | Low | 44 Ų | 44 | 53.3 Ų | 53.3 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -95.4 | 5.7 | 178.1 | -71.4 | -66.8 | 126.1 | 0 | 0 | 113.1 | C1765 D1766 G1767 K1768 S1774 E1779 | C1765-E1777 VanDerWaalsContact C-OE1 3.24Å; C1765-E1777 WeakPolarHBondContact CA-OE1 3Å; D1766-E1777 PolarHBondContact N-OE1 2.92Å; G1767-E1777 WeakPolarHBondContact CA-OE1 3.3Å; G1767-E1777 WeakPolarHBondContact CA-OE2 3.47Å; G1767-E1777 PolarHBondContact N-OE1 2.77Å; G1767-E1777 PolarHBondContact N-OE2 3.02Å; K1768-E1777 VanDerWaalsContact C-CG 3.43Å; K1768-E1777 PolarHBondContact N-OE1 3.24Å; K1768-E1777 VanDerWaalsContact O-CG 3.22Å; K1768-E1777 WeakPolarHBondContact O-CG 3.4Å; S1774-E1777 PolarHBondContact O-N 2.92Å; E1777-E1779 PolarHBondContact O-N 2.94Å |
| 1778 | S | 68 | Low | 64.9 | Low | 35 Ų | 35 | 52.1 Ų | 52.1 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | trans | -68.3 | 114.2 | -179.8 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | S1774 R1780 Y1781 C1782 | S1774-S1778 PolarHBondContact O-N 3Å; S1778-R1780 PolarHBondContact O-N 3.39Å; S1778-Y1781 PolarHBondContact O-N 3.25Å; S1778-C1782 WeakPolarHBondContact O-CB 3.4Å; S1778-C1782 PolarHBondContact O-N 2.79Å | ||
| 1779 | E | 60.8 | Low | 65.1 | Low | 187 Ų | 187 | 49.9 Ų | 49.9 | 87% | 0.874 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -23.6 | 178 | -64.3 | -174.2 | 147.8 | 0 | 0 | 113.8 | E1777 | E1777-E1779 PolarHBondContact O-N 2.94Š|
| 1780 | R | 62.4 | Low | 64.8 | Low | 107 Ų | 107 | 50.1 Ų | 50.1 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30 | 178.6 | -176.5 | 169.5 | -71.2 | 170.3 | -1.8 | 114.2 | R1698 Y1715 S1778 | R1698-R1780 WeakPolarHBondContact CG-O 3.17Å; Y1715-R1780 VanDerWaalsContact CG-NH1 3.31Å; S1778-R1780 PolarHBondContact O-N 3.39Å |
| 1781 | Y | 66.6 | Low | 64.6 | Low | 10 Ų | 10 | 48.9 Ų | 48.9 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -17.7 | -175.2 | -47.7 | -64.7 | 0 | 0 | 0 | 112.3 | Y1667 Y1715 T1718 M1754 S1778 A1783 | Y1667-Y1781 HydrophobicContact CD1-CD1 4.13Å; Y1667-Y1781 AromaticContact CD1-CD2 3.97Å; Y1667-Y1781 HydrophobicContact CD1-CD2 3.97Å; Y1667-Y1781 AromaticContact CD1-CE1 3.75Å; Y1667-Y1781 HydrophobicContact CD1-CE1 3.75Å; Y1667-Y1781 AromaticContact CD1-CE2 3.54Å; Y1667-Y1781 HydrophobicContact CD1-CE2 3.54Å; Y1667-Y1781 HydrophobicContact CD1-CG 4.23Å; Y1667-Y1781 AromaticContact CD1-CZ 3.43Å; Y1667-Y1781 VanDerWaalsContact CD1-CZ 3.43Å; Y1667-Y1781 HydrophobicContact CE1-CD1 4.14Å; Y1667-Y1781 AromaticContact CE1-CD2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CD2 3.45Å; Y1667-Y1781 VanDerWaalsContact CE1-CD2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CE1 4.17Å; Y1667-Y1781 AromaticContact CE1-CE2 3.45Å; Y1667-Y1781 HydrophobicContact CE1-CE2 3.45Å; Y1667-Y1781 VanDerWaalsContact CE1-CE2 3.45Å; Y1667-Y1781 AromaticContact CE1-CG 3.79Å; Y1667-Y1781 HydrophobicContact CE1-CG 3.79Å; Y1667-Y1781 AromaticContact CE1-CZ 3.83Å; Y1715-Y1781 PolarHBondContact O-OH 3.15Å; T1718-Y1781 HydrophobicContact CG2-CD1 4.02Å; T1718-Y1781 HydrophobicContact CG2-CG 3.88Å; M1754-Y1781 HydrophobicContact SD-CE2 4.23Å; S1778-Y1781 PolarHBondContact O-N 3.25Å; Y1781-A1783 PolarHBondContact O-N 2.8Å |
| 1782 | C | 61.5 | Low | 64.1 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | trans | -68.7 | 57.1 | 164.8 | -78.6 | 0 | 0 | 0 | 0 | 113.1 | C1765 D1776 S1778 V1784 N1785 S1808 | C1765-C1782 HydrophobicContact CB-CB 4.22Å; C1765-C1782 WeakPolarHBondContact CB-SG 3.18Å; C1765-C1782 WeakPolarHBondContact SG-CA 3.29Å; C1765-C1782 WeakPolarHBondContact SG-CB 3.29Å; C1765-C1782 CovalentContact SG-SG 2.05Å; C1765-C1782 PolarHBondContact SG-SG 2.88Å; D1776-C1782 PolarHBondContact O-SG 2.73Å; S1778-C1782 WeakPolarHBondContact O-CB 3.4Å; S1778-C1782 PolarHBondContact O-N 2.79Å; C1782-V1784 PolarHBondContact O-N 2.94Å; C1782-N1785 WeakPolarHBondContact CB-ND2 3.29Å; C1782-N1785 WeakPolarHBondContact CB-OD1 3.44Å; C1782-S1808 PolarHBondContact O-OG 2.65Å | ||
| 1783 | A | 46 | Very low | 64.4 | Low | 36 Ų | 36 | 49.5 Ų | 49.5 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -63.9 | -22.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1781 | Y1781-A1783 PolarHBondContact O-N 2.8Š|
| 1784 | V | 48.9 | Very low | 64.6 | Low | 49 Ų | 49 | 54.6 Ų | 54.6 | 30% | 0.297 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -141.1 | 95.5 | 169.7 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | C1782 S1808 I1809 I1863 | C1782-V1784 PolarHBondContact O-N 2.94Å; V1784-S1808 WeakPolarHBondContact CA-OG 3.31Å; V1784-I1809 HydrophobicContact CB-CD1 4.37Å; V1784-I1809 HydrophobicContact CB-CG1 4.28Å; V1784-I1809 HydrophobicContact CG1-CD1 3.67Å; V1784-I1809 HydrophobicContact CG1-CG1 3.87Å; V1784-I1809 HydrophobicContact CG2-CD1 3.82Å; V1784-I1809 HydrophobicContact CG2-CG1 3.79Å; V1784-I1863 HydrophobicContact CG1-CD1 4.24Å; V1784-I1863 HydrophobicContact CG1-CG2 4.13Å |
| 1785 | N | 44.4 | Very low | 64.7 | Low | 33 Ų | 33 | 52.3 Ų | 52.3 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | trans | -98.6 | 95.2 | 176.5 | -86.1 | 11.6 | 0 | 0 | 0 | 110.8 | C1765 C1782 R1787 S1806 T1807 S1808 | C1765-N1785 WeakPolarHBondContact CB-OD1 3.16Å; C1765-N1785 PolarHBondContact SG-OD1 2.91Å; C1782-N1785 WeakPolarHBondContact CB-ND2 3.29Å; C1782-N1785 WeakPolarHBondContact CB-OD1 3.44Å; N1785-R1787 VanDerWaalsContact C-N 3.32Å; N1785-R1787 PolarHBondContact O-N 3.32Å; N1785-R1787 VanDerWaalsContact O-N 3.13Å; N1785-S1806 CarbonylContact O-C 3.49Å; N1785-T1807 CarbonylContact O-C 3.59Å; N1785-T1807 WeakPolarHBondContact O-CA 3.46Å; N1785-S1808 PolarHBondContact N-OG 2.72Å; N1785-S1808 PolarHBondContact O-N 3.07Å; N1785-S1808 VanDerWaalsContact O-N 3.13Å | ||
| 1786 | I | 59.8 | Low | 64.8 | Low | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | trans | -71.5 | 98.1 | 149.6 | -54.6 | -169.3 | 0 | 0 | 0 | 107.3 | V1788 C1805 S1806 V1859 I1863 K1865 | I1786-V1788 HydrophobicContact CG2-CG2 3.8Å; I1786-C1805 VanDerWaalsContact CG2-SG 3.58Å; I1786-S1806 CarbonylContact C-O 3.56Å; I1786-S1806 VanDerWaalsContact CA-O 3.22Å; I1786-S1806 WeakPolarHBondContact CA-O 3.39Å; I1786-V1859 HydrophobicContact CD1-CB 3.87Å; I1786-V1859 HydrophobicContact CD1-CG2 3.48Å; I1786-V1859 VanDerWaalsContact CD1-CG2 3.48Å; I1786-V1859 HydrophobicContact CG1-CB 4.45Å; I1786-V1859 HydrophobicContact CG1-CG2 3.78Å; I1786-I1863 HydrophobicContact CD1-CB 4.33Å; I1786-I1863 HydrophobicContact CD1-CG2 3.56Å; I1786-I1863 WeakPolarHBondContact CD1-O 3.3Å; I1786-I1863 HydrophobicContact CG1-CG2 3.88Å; I1786-K1865 HydrophobicContact CB-CB 4.34Å; I1786-K1865 HydrophobicContact CB-CD 4.35Å; I1786-K1865 HydrophobicContact CG2-CB 3.76Å; I1786-K1865 HydrophobicContact CG2-CD 4.18Å; I1786-K1865 WeakPolarHBondContact O-CD 3.31Å; I1786-K1865 WeakPolarHBondContact O-CE 3.09Å; I1786-K1865 PolarHBondContact O-NZ 3.3Å | ||
| 1787 | R | 69 | Low | 64.2 | Low | 123 Ų | 123 | 57.6 Ų | 57.6 | 46% | 0.464 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.5 | 169.2 | -170.4 | -174.9 | -152.1 | 163.1 | 13.1 | 107.8 | N1785 T1789 C1805 S1806 | N1785-R1787 VanDerWaalsContact C-N 3.32Å; N1785-R1787 PolarHBondContact O-N 3.32Å; N1785-R1787 VanDerWaalsContact O-N 3.13Å; R1787-T1789 HydrophobicContact CG-CG2 4.43Å; R1787-C1805 CarbonylContact O-C 3.33Å; R1787-C1805 VanDerWaalsContact O-CA 3.26Å; R1787-C1805 WeakPolarHBondContact O-CA 3.43Å; R1787-S1806 PolarHBondContact N-O 3.35Å; R1787-S1806 PolarHBondContact O-N 2.63Å |
| 1788 | V | 70 | Confident | 63.6 | Low | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.1 | 173.4 | -167 | 0 | 0 | 0 | 0 | 110.2 | I1786 F1803 E1804 C1805 C1857 K1865 V1867 | I1786-V1788 HydrophobicContact CG2-CG2 3.8Å; V1788-F1803 HydrophobicContact CG1-CD2 3.99Å; V1788-E1804 CarbonylContact C-O 3.6Å; V1788-E1804 VanDerWaalsContact CA-O 3.22Å; V1788-E1804 WeakPolarHBondContact CA-O 3.46Å; V1788-E1804 WeakPolarHBondContact CG1-O 3.45Å; V1788-C1805 HydrophobicContact CG1-CB 4.42Å; V1788-C1805 HydrophobicContact CG2-CB 4.09Å; V1788-C1857 HydrophobicContact CG2-CB 4.35Å; V1788-K1865 HydrophobicContact CG2-CB 3.95Å; V1788-K1865 HydrophobicContact CG2-CD 3.96Å; V1788-K1865 HydrophobicContact CG2-CG 3.87Å; V1788-V1867 HydrophobicContact CG1-CG2 3.32Å |
| 1789 | T | 63.7 | Low | 64 | Low | 61 Ų | 61 | 63.2 Ų | 63.2 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 117.2 | -168.6 | 33.4 | 0 | 0 | 0 | 0 | 112.3 | R1787 F1803 E1804 | R1787-T1789 HydrophobicContact CG-CG2 4.43Å; T1789-F1803 WeakPolarHBondContact O-CA 3.42Å; T1789-E1804 PolarHBondContact N-O 2.88Å; T1789-E1804 PolarHBondContact O-N 2.79Å |
| 1790 | P | 64.2 | Low | 64.8 | Low | 67 Ų | 67 | 62.9 Ų | 62.9 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | S | Bend | cis | -74.5 | 148.4 | -12.1 | 33.5 | -35.8 | 0 | 0 | 0 | 112.2 | S1792 I1793 | P1790-S1792 VanDerWaalsContact C-N 3.32Å; P1790-I1793 HydrophobicContact CG-CD1 4.02Å; P1790-I1793 HydrophobicContact CG-CG1 3.71Å |
| 1791 | G | 69.2 | Low | 65.9 | Low | 36 Ų | 36 | 58.3 Ų | 58.3 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.3 | -4.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1867 D1868 | G1791-V1867 WeakPolarHBondContact O-CA 3.12Å; G1791-D1868 PolarHBondContact O-N 3.32Å |
| 1792 | S | 64.2 | Low | 66.8 | Low | 75 Ų | 75 | 62.9 Ų | 62.9 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 141.5 | 171.7 | -178 | 0 | 0 | 0 | 0 | 110.6 | P1790 D1868 | P1790-S1792 VanDerWaalsContact C-N 3.32Å; S1792-D1868 CarbonylContact C-O 3.5Å; S1792-D1868 VanDerWaalsContact CA-O 3.31Å; S1792-D1868 WeakPolarHBondContact CA-O 3.15Å; S1792-D1868 PolarHBondContact OG-O 3.42Å |
| 1793 | I | 76.7 | Confident | 67.9 | Low | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.6 | -174.2 | -61.5 | 178.1 | 0 | 0 | 0 | 109.3 | P1790 V1795 F1801 F1803 D1868 V1869 E1870 | P1790-I1793 HydrophobicContact CG-CD1 4.02Å; P1790-I1793 HydrophobicContact CG-CG1 3.71Å; I1793-V1795 HydrophobicContact CG2-CG1 3.87Å; I1793-V1795 HydrophobicContact CG2-CG2 4.38Å; I1793-F1801 HydrophobicContact CD1-CB 4.21Å; I1793-F1801 HydrophobicContact CD1-CD2 3.69Å; I1793-F1801 HydrophobicContact CD1-CE2 4.49Å; I1793-F1801 HydrophobicContact CD1-CG 4.29Å; I1793-F1801 HydrophobicContact CG2-CB 3.81Å; I1793-F1801 HydrophobicContact CG2-CD2 4.44Å; I1793-F1801 HydrophobicContact CG2-CG 4.13Å; I1793-F1803 HydrophobicContact CD1-CB 4.31Å; I1793-F1803 HydrophobicContact CD1-CD1 4.2Å; I1793-D1868 PolarHBondContact N-O 2.81Å; I1793-V1869 HydrophobicContact CB-CG1 4.2Å; I1793-V1869 HydrophobicContact CB-CG2 4.09Å; I1793-V1869 HydrophobicContact CD1-CG2 4.32Å; I1793-V1869 HydrophobicContact CG2-CG1 4.18Å; I1793-V1869 WeakPolarHBondContact O-CA 3.14Å; I1793-E1870 PolarHBondContact O-N 2.04Å |
| 1794 | R | 73.4 | Confident | 69.6 | Low | 172 Ų | 172 | 64.6 Ų | 64.6 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.5 | 171.1 | -79.2 | 178.6 | 160.2 | -174.6 | -11.5 | 109.8 | E1870 | R1794-E1870 HydrophobicContact CG-CB 4.16Å; R1794-E1870 IonicContact CZ-OE2 3.51Å; R1794-E1870 IonicContact NE-OE2 3.68Å; R1794-E1870 PolarHBondContact NE-OE2 2.76Å; R1794-E1870 IonicContact NH2-OE1 3.64Å; R1794-E1870 PolarHBondContact NH2-OE1 2.96Å; R1794-E1870 IonicContact NH2-OE2 3.46Å; R1794-E1870 PolarHBondContact NH2-OE2 3.31Å |
| 1795 | V | 72.4 | Confident | 71.2 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 164.2 | -176.5 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | I1793 Q1799 F1801 V1869 E1870 I1871 I1872 | I1793-V1795 HydrophobicContact CG2-CG1 3.87Å; I1793-V1795 HydrophobicContact CG2-CG2 4.38Å; V1795-Q1799 HydrophobicContact CB-CB 4.14Å; V1795-Q1799 HydrophobicContact CB-CG 4.3Å; V1795-Q1799 HydrophobicContact CG1-CB 4.41Å; V1795-Q1799 HydrophobicContact CG1-CG 4.06Å; V1795-F1801 HydrophobicContact CG1-CB 4.18Å; V1795-F1801 HydrophobicContact CG2-CD1 4.07Å; V1795-V1869 HydrophobicContact CG2-CG1 4.32Å; V1795-E1870 PolarHBondContact N-O 2.87Å; V1795-I1871 HydrophobicContact CG2-CG1 4.13Å; V1795-I1871 VanDerWaalsContact O-CA 3.31Å; V1795-I1871 WeakPolarHBondContact O-CA 3.36Å; V1795-I1872 PolarHBondContact O-N 2.81Å |
| 1796 | I | 73.3 | Confident | 72.4 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 43% | 0.431 | 31% | 0.308 | S | S | . | . | trans | -93.6 | 159.8 | 167.2 | 64.2 | 176 | 0 | 0 | 0 | 110.7 | N1798 Q1799 | I1796-N1798 PolarHBondContact O-N 2.9Å; I1796-Q1799 HydrophobicContact CG1-CB 3.93Å; I1796-Q1799 WeakPolarHBondContact O-CB 3.29Å; I1796-Q1799 PolarHBondContact O-N 3.14Å | ||
| 1797 | P | 62.2 | Low | 72.7 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 26% | 0.26 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 135.4 | 177.7 | -31.1 | 34.5 | 0 | 0 | 0 | 113.5 | Q1799 I1847 I1850 I1871 I1872 | P1797-Q1799 PolarHBondContact O-N 3.5Å; P1797-I1847 WeakPolarHBondContact CA-O 3.23Å; P1797-I1850 HydrophobicContact CG-CG1 3.8Å; P1797-I1871 HydrophobicContact CB-CG2 4.37Å; P1797-I1871 HydrophobicContact CG-CG2 3.84Å; P1797-I1872 WeakPolarHBondContact CD-O 3.03Å |
| 1798 | N | 58.4 | Low | 72.2 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 15.2 | -176.6 | -56.6 | -14.5 | 0 | 0 | 0 | 116 | I1796 T1845 I1847 S1848 | I1796-N1798 PolarHBondContact O-N 2.9Å; N1798-T1845 CarbonylContact C-O 3.42Å; N1798-T1845 VanDerWaalsContact C-O 3.23Å; N1798-T1845 WeakPolarHBondContact CA-O 3.35Å; N1798-I1847 PolarHBondContact N-O 3.01Å; N1798-S1848 VanDerWaalsContact OD1-CA 3.23Å; N1798-S1848 WeakPolarHBondContact OD1-CA 3.26Å; N1798-S1848 WeakPolarHBondContact OD1-CB 3.37Å; N1798-S1848 PolarHBondContact OD1-N 3.49Å |
| 1799 | Q | 76.2 | Confident | 71.5 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | trans | -82 | 129.5 | 167.9 | 178.6 | -174.3 | -0 | 0 | 0 | 110.2 | V1795 I1796 P1797 G1846 | V1795-Q1799 HydrophobicContact CB-CB 4.14Å; V1795-Q1799 HydrophobicContact CB-CG 4.3Å; V1795-Q1799 HydrophobicContact CG1-CB 4.41Å; V1795-Q1799 HydrophobicContact CG1-CG 4.06Å; I1796-Q1799 HydrophobicContact CG1-CB 3.93Å; I1796-Q1799 WeakPolarHBondContact O-CB 3.29Å; I1796-Q1799 PolarHBondContact O-N 3.14Å; P1797-Q1799 PolarHBondContact O-N 3.5Å; Q1799-G1846 WeakPolarHBondContact O-CA 3.38Å | ||
| 1800 | R | 78.3 | Confident | 71 | Confident | 180 Ų | 180 | 60.7 Ų | 60.7 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | trans | -57.6 | 144 | 177.6 | 86.4 | 178.6 | -162.9 | 168.9 | 8.9 | 112.1 | A1843 P1844 | R1800-A1843 VanDerWaalsContact CA-O 3.26Å; R1800-A1843 WeakPolarHBondContact CA-O 2.99Å; R1800-P1844 VanDerWaalsContact CB-O 3.26Å; R1800-P1844 WeakPolarHBondContact CB-O 3.28Å | ||
| 1801 | F | 84.7 | Confident | 70.7 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 167.3 | 166.5 | 65.6 | -94.1 | 0 | 0 | 0 | 111.4 | I1793 V1795 F1829 A1843 I1847 F1855 V1869 | I1793-F1801 HydrophobicContact CD1-CB 4.21Å; I1793-F1801 HydrophobicContact CD1-CD2 3.69Å; I1793-F1801 HydrophobicContact CD1-CE2 4.49Å; I1793-F1801 HydrophobicContact CD1-CG 4.29Å; I1793-F1801 HydrophobicContact CG2-CB 3.81Å; I1793-F1801 HydrophobicContact CG2-CD2 4.44Å; I1793-F1801 HydrophobicContact CG2-CG 4.13Å; V1795-F1801 HydrophobicContact CG1-CB 4.18Å; V1795-F1801 HydrophobicContact CG2-CD1 4.07Å; F1801-F1829 HydrophobicContact CZ-CE1 4.28Å; F1801-A1843 HydrophobicContact CD1-CB 3.81Å; F1801-A1843 HydrophobicContact CD2-CB 4.16Å; F1801-A1843 HydrophobicContact CE1-CB 3.49Å; F1801-A1843 VanDerWaalsContact CE1-CB 3.49Å; F1801-A1843 HydrophobicContact CE2-CB 3.86Å; F1801-A1843 HydrophobicContact CG-CB 4.13Å; F1801-A1843 HydrophobicContact CZ-CB 3.52Å; F1801-A1843 PolarHBondContact N-O 3.1Å; F1801-A1843 PolarHBondContact O-N 2.83Å; F1801-I1847 HydrophobicContact CE1-CD1 4Å; F1801-I1847 HydrophobicContact CE1-CG1 4.06Å; F1801-I1847 HydrophobicContact CZ-CD1 3.7Å; F1801-I1847 HydrophobicContact CZ-CG1 4.16Å; F1801-F1855 HydrophobicContact CE2-CE2 4.02Å; F1801-F1855 AromaticContact CE2-CZ 3.85Å; F1801-F1855 HydrophobicContact CE2-CZ 3.85Å; F1801-F1855 HydrophobicContact CZ-CE2 4.12Å; F1801-F1855 AromaticContact CZ-CZ 3.89Å; F1801-F1855 HydrophobicContact CZ-CZ 3.89Å; F1801-V1869 HydrophobicContact CD1-CG1 4.38Å; F1801-V1869 HydrophobicContact CE1-CG1 3.98Å; F1801-V1869 HydrophobicContact CE2-CG1 4.13Å; F1801-V1869 HydrophobicContact CE2-CG2 4.18Å; F1801-V1869 HydrophobicContact CZ-CG1 3.84Å |
| 1802 | Q | 85.5 | Confident | 70 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 151.9 | 173.6 | 64.3 | -174.1 | 66.4 | 0 | 0 | 110.9 | V1841 T1842 | Q1802-V1841 CarbonylContact C-O 3.24Å; Q1802-V1841 WeakPolarHBondContact CA-O 3.1Å; Q1802-T1842 HydrophobicContact CB-CG2 4.15Å |
| 1803 | F | 85.6 | Confident | 70.1 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.9 | 165.5 | 61.6 | -92.1 | 0 | 0 | 0 | 111.1 | V1788 T1789 I1793 V1816 V1840 V1841 F1855 V1867 | V1788-F1803 HydrophobicContact CG1-CD2 3.99Å; T1789-F1803 WeakPolarHBondContact O-CA 3.42Å; I1793-F1803 HydrophobicContact CD1-CB 4.31Å; I1793-F1803 HydrophobicContact CD1-CD1 4.2Å; F1803-V1816 HydrophobicContact CE2-CG1 4.31Å; F1803-V1816 HydrophobicContact CZ-CG1 4.09Å; F1803-V1840 CarbonylContact O-C 3.56Å; F1803-V1840 WeakPolarHBondContact O-CA 3.32Å; F1803-V1841 HydrophobicContact CD1-CB 4.3Å; F1803-V1841 HydrophobicContact CD2-CB 4.35Å; F1803-V1841 HydrophobicContact CD2-CG2 4.45Å; F1803-V1841 HydrophobicContact CE1-CB 3.79Å; F1803-V1841 HydrophobicContact CE1-CG1 4.05Å; F1803-V1841 HydrophobicContact CE1-CG2 4.39Å; F1803-V1841 HydrophobicContact CE2-CB 3.85Å; F1803-V1841 HydrophobicContact CE2-CG2 3.66Å; F1803-V1841 HydrophobicContact CZ-CB 3.54Å; F1803-V1841 HydrophobicContact CZ-CG1 3.99Å; F1803-V1841 HydrophobicContact CZ-CG2 3.63Å; F1803-V1841 PolarHBondContact N-O 3.37Å; F1803-V1841 PolarHBondContact O-N 3.05Å; F1803-F1855 HydrophobicContact CE1-CB 4.08Å; F1803-F1855 AromaticContact CE1-CD1 3.64Å; F1803-F1855 HydrophobicContact CE1-CD1 3.64Å; F1803-F1855 AromaticContact CE1-CD2 3.83Å; F1803-F1855 HydrophobicContact CE1-CD2 3.83Å; F1803-F1855 AromaticContact CE1-CE1 3.87Å; F1803-F1855 HydrophobicContact CE1-CE1 3.87Å; F1803-F1855 HydrophobicContact CE1-CE2 4.08Å; F1803-F1855 AromaticContact CE1-CG 3.59Å; F1803-F1855 HydrophobicContact CE1-CG 3.59Å; F1803-F1855 HydrophobicContact CE1-CZ 4.07Å; F1803-F1855 HydrophobicContact CE2-CB 4.43Å; F1803-F1855 HydrophobicContact CZ-CB 3.58Å; F1803-F1855 AromaticContact CZ-CD1 3.46Å; F1803-F1855 HydrophobicContact CZ-CD1 3.46Å; F1803-F1855 VanDerWaalsContact CZ-CD1 3.46Å; F1803-F1855 HydrophobicContact CZ-CD2 4.21Å; F1803-F1855 HydrophobicContact CZ-CE1 4.08Å; F1803-F1855 AromaticContact CZ-CG 3.51Å; F1803-F1855 HydrophobicContact CZ-CG 3.51Å; F1803-V1867 HydrophobicContact CD1-CG1 4.18Å; F1803-V1867 HydrophobicContact CD1-CG2 4.46Å; F1803-V1867 HydrophobicContact CD2-CG2 3.87Å; F1803-V1867 HydrophobicContact CE2-CG2 3.97Å; F1803-V1867 HydrophobicContact CG-CG1 4.36Å; F1803-V1867 HydrophobicContact CG-CG2 4.13Å; F1803-V1867 HydrophobicContact CZ-CG2 4.3Å |
| 1804 | E | 80.8 | Confident | 70.2 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138 | 169.5 | -175.5 | 176.1 | 154.6 | 0 | 0 | 109.6 | V1788 T1789 S1806 T1838 I1839 V1840 | V1788-E1804 CarbonylContact C-O 3.6Å; V1788-E1804 VanDerWaalsContact CA-O 3.22Å; V1788-E1804 WeakPolarHBondContact CA-O 3.46Å; V1788-E1804 WeakPolarHBondContact CG1-O 3.45Å; T1789-E1804 PolarHBondContact N-O 2.88Å; T1789-E1804 PolarHBondContact O-N 2.79Å; E1804-S1806 PolarHBondContact OE1-OG 2.76Å; E1804-T1838 HydrophobicContact CG-CG2 3.59Å; E1804-T1838 WeakPolarHBondContact OE1-CG2 3.36Å; E1804-I1839 CarbonylContact C-O 2.98Å; E1804-I1839 WeakPolarHBondContact CA-O 2.9Å; E1804-V1840 HydrophobicContact CB-CG2 3.83Å; E1804-V1840 HydrophobicContact CG-CG2 3.74Å |
| 1805 | C | 82.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 113.1 | 163.5 | 180 | 0 | 0 | 0 | 0 | 110.2 | I1786 R1787 V1788 V1816 I1839 C1857 | I1786-C1805 VanDerWaalsContact CG2-SG 3.58Å; R1787-C1805 CarbonylContact O-C 3.33Å; R1787-C1805 VanDerWaalsContact O-CA 3.26Å; R1787-C1805 WeakPolarHBondContact O-CA 3.43Å; V1788-C1805 HydrophobicContact CG1-CB 4.42Å; V1788-C1805 HydrophobicContact CG2-CB 4.09Å; C1805-V1816 HydrophobicContact CB-CG2 4.48Å; C1805-I1839 CarbonylContact C-O 3.58Å; C1805-I1839 PolarHBondContact N-O 2.03Å; C1805-I1839 PolarHBondContact O-N 3.23Å; C1805-I1839 VanDerWaalsContact O-O 3.09Å; C1805-C1857 HydrophobicContact CB-CB 3.93Å; C1805-C1857 WeakPolarHBondContact CB-SG 3.48Å; C1805-C1857 WeakPolarHBondContact SG-CB 3.34Å; C1805-C1857 CovalentContact SG-SG 2.03Å; C1805-C1857 PolarHBondContact SG-SG 2.8Å |
| 1806 | S | 70.2 | Confident | 71.2 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.4 | 173.9 | 32.2 | 0 | 0 | 0 | 0 | 112.1 | N1785 I1786 R1787 E1804 Q1837 | N1785-S1806 CarbonylContact O-C 3.49Å; I1786-S1806 CarbonylContact C-O 3.56Å; I1786-S1806 VanDerWaalsContact CA-O 3.22Å; I1786-S1806 WeakPolarHBondContact CA-O 3.39Å; R1787-S1806 PolarHBondContact N-O 3.35Å; R1787-S1806 PolarHBondContact O-N 2.63Å; E1804-S1806 PolarHBondContact OE1-OG 2.76Å; S1806-Q1837 CarbonylContact C-O 3.57Å; S1806-Q1837 VanDerWaalsContact CA-O 3.29Å; S1806-Q1837 WeakPolarHBondContact CA-O 3.22Å |
| 1807 | T | 65 | Low | 71.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | trans | -101.9 | 147 | 164 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | N1785 I1809 V1812 Q1837 V1859 | N1785-T1807 CarbonylContact O-C 3.59Å; N1785-T1807 WeakPolarHBondContact O-CA 3.46Å; T1807-I1809 PolarHBondContact OG1-N 2.77Å; T1807-V1812 VanDerWaalsContact CG2-O 3.31Å; T1807-V1812 WeakPolarHBondContact CG2-O 3.33Å; T1807-Q1837 HydrophobicContact CG2-CB 4.19Å; T1807-Q1837 HydrophobicContact CG2-CG 4.06Å; T1807-Q1837 PolarHBondContact N-O 2Å; T1807-Q1837 WeakPolarHBondContact O-CB 3.33Å; T1807-Q1837 VanDerWaalsContact O-CG 3.22Å; T1807-Q1837 WeakPolarHBondContact O-CG 3.43Å; T1807-V1859 HydrophobicContact CG2-CG2 4.35Å | ||
| 1808 | S | 59.4 | Low | 72.6 | Confident | 45 Ų | 45 | 50 Ų | 50 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | trans | -86.4 | -5.7 | 170.5 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | C1782 V1784 N1785 P1810 Q1837 | C1782-S1808 PolarHBondContact O-OG 2.65Å; V1784-S1808 WeakPolarHBondContact CA-OG 3.31Å; N1785-S1808 PolarHBondContact N-OG 2.72Å; N1785-S1808 PolarHBondContact O-N 3.07Å; N1785-S1808 VanDerWaalsContact O-N 3.13Å; S1808-P1810 WeakPolarHBondContact O-CD 3.38Å; S1808-Q1837 VanDerWaalsContact C-NE2 3.32Å; S1808-Q1837 PolarHBondContact O-NE2 3.38Å | ||
| 1809 | I | 54.5 | Low | 73.1 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.179 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -70.8 | 121.5 | -179.7 | -57 | 173.9 | 0 | 0 | 0 | 110.5 | V1784 T1807 G1811 V1812 Q1837 V1859 | V1784-I1809 HydrophobicContact CB-CD1 4.37Å; V1784-I1809 HydrophobicContact CB-CG1 4.28Å; V1784-I1809 HydrophobicContact CG1-CD1 3.67Å; V1784-I1809 HydrophobicContact CG1-CG1 3.87Å; V1784-I1809 HydrophobicContact CG2-CD1 3.82Å; V1784-I1809 HydrophobicContact CG2-CG1 3.79Å; T1807-I1809 PolarHBondContact OG1-N 2.77Å; I1809-G1811 PolarHBondContact O-N 3.04Å; I1809-V1812 HydrophobicContact CB-CB 4.16Å; I1809-V1812 HydrophobicContact CB-CG2 4.34Å; I1809-V1812 HydrophobicContact CG2-CB 3.89Å; I1809-V1812 HydrophobicContact CG2-CG2 3.54Å; I1809-Q1837 VanDerWaalsContact C-NE2 3.34Å; I1809-Q1837 VanDerWaalsContact O-CG 3.24Å; I1809-Q1837 WeakPolarHBondContact O-CG 3.47Å; I1809-Q1837 PolarHBondContact O-NE2 2.77Å; I1809-V1859 HydrophobicContact CD1-CG1 4.02Å |
| 1810 | P | 54.2 | Low | 72.6 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 67% | 0.669 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 133.9 | 176.1 | -21.7 | 34.5 | 0 | 0 | 0 | 112 | S1808 V1812 | S1808-P1810 WeakPolarHBondContact O-CD 3.38Å; P1810-V1812 PolarHBondContact O-N 2.86Å |
| 1811 | G | 56.8 | Low | 72.1 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 62% | 0.619 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -11.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1809 | I1809-G1811 PolarHBondContact O-N 3.04Š|
| 1812 | V | 54.5 | Low | 71.5 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | trans | -92.9 | 132.7 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | T1807 I1809 P1810 V1859 | T1807-V1812 VanDerWaalsContact CG2-O 3.31Å; T1807-V1812 WeakPolarHBondContact CG2-O 3.33Å; I1809-V1812 HydrophobicContact CB-CB 4.16Å; I1809-V1812 HydrophobicContact CB-CG2 4.34Å; I1809-V1812 HydrophobicContact CG2-CB 3.89Å; I1809-V1812 HydrophobicContact CG2-CG2 3.54Å; P1810-V1812 PolarHBondContact O-N 2.86Å; V1812-V1859 HydrophobicContact CG1-CG1 3.75Å | ||
| 1813 | S | 67.6 | Low | 71.3 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | trans | -109.3 | 125.9 | -177.1 | -147.9 | 0 | 0 | 0 | 0 | 111.4 | R1833 L1836 | S1813-R1833 PolarHBondContact OG-NH1 3.16Å; S1813-L1836 VanDerWaalsContact CA-O 3.23Å; S1813-L1836 WeakPolarHBondContact CA-O 3.38Å; S1813-L1836 VanDerWaalsContact CB-O 3.28Å; S1813-L1836 WeakPolarHBondContact CB-O 3.34Å; S1813-L1836 PolarHBondContact OG-O 2.76Å | ||
| 1814 | P | 77.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -65.3 | 161.1 | 179 | 27.7 | -33.1 | 0 | 0 | 0 | 110.9 | R1833 Q1837 I1839 I1858 V1859 | P1814-R1833 PolarHBondContact O-NH1 3.13Å; P1814-R1833 PolarHBondContact O-NH2 3.46Å; P1814-Q1837 WeakPolarHBondContact CD-O 3.23Å; P1814-Q1837 WeakPolarHBondContact CG-O 3.04Å; P1814-I1839 HydrophobicContact CB-CD1 4.32Å; P1814-I1839 HydrophobicContact CG-CB 4.48Å; P1814-I1839 HydrophobicContact CG-CD1 4.1Å; P1814-I1839 HydrophobicContact CG-CG1 4.14Å; P1814-I1839 VanDerWaalsContact O-CD1 3.3Å; P1814-I1839 WeakPolarHBondContact O-CD1 3.45Å; P1814-I1858 CarbonylContact C-O 3.56Å; P1814-I1858 WeakPolarHBondContact CA-O 3.44Å; P1814-V1859 HydrophobicContact CB-CG2 3.97Å | ||
| 1815 | Q | 82.4 | Confident | 70 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.8 | 174.5 | -66.2 | -64.5 | -56.5 | 0 | 0 | 107.2 | I1858 | Q1815-I1858 PolarHBondContact N-O 3.15Å; Q1815-I1858 PolarHBondContact O-N 3.16Å |
| 1816 | V | 85.4 | Confident | 69.3 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.4 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | F1803 C1805 S1822 V1823 I1839 V1841 F1855 K1856 C1857 | F1803-V1816 HydrophobicContact CE2-CG1 4.31Å; F1803-V1816 HydrophobicContact CZ-CG1 4.09Å; C1805-V1816 HydrophobicContact CB-CG2 4.48Å; V1816-S1822 WeakPolarHBondContact O-CA 3.33Å; V1816-V1823 HydrophobicContact CB-CG2 3.67Å; V1816-V1823 HydrophobicContact CG1-CG1 4.08Å; V1816-V1823 HydrophobicContact CG1-CG2 3.79Å; V1816-V1823 WeakPolarHBondContact O-CG2 3.12Å; V1816-V1823 PolarHBondContact O-N 3Å; V1816-I1839 HydrophobicContact CB-CD1 4.36Å; V1816-I1839 HydrophobicContact CG2-CD1 3.78Å; V1816-I1839 HydrophobicContact CG2-CG2 3.96Å; V1816-V1841 HydrophobicContact CB-CG2 4.1Å; V1816-V1841 HydrophobicContact CG1-CG2 3.97Å; V1816-V1841 HydrophobicContact CG2-CG2 4.1Å; V1816-F1855 HydrophobicContact CG1-CB 4.23Å; V1816-F1855 HydrophobicContact CG1-CD1 4.14Å; V1816-K1856 CarbonylContact C-O 3.51Å; V1816-K1856 VanDerWaalsContact CA-O 3.26Å; V1816-K1856 WeakPolarHBondContact CA-O 2.97Å; V1816-C1857 HydrophobicContact CG2-CB 3.92Å; V1816-C1857 VanDerWaalsContact CG2-SG 3.6Å |
| 1817 | T | 82.8 | Confident | 69.2 | Low | 21 Ų | 21 | 68.1 Ų | 68.1 | 13% | 0.129 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 154.2 | 168.6 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | R1821 F1855 K1856 I1858 | T1817-R1821 CarbonylContact C-O 3.49Å; T1817-R1821 WeakPolarHBondContact CA-O 3.42Å; T1817-R1821 WeakPolarHBondContact CB-O 3.44Å; T1817-F1855 CarbonylContact O-C 3.58Å; T1817-F1855 WeakPolarHBondContact O-CA 3.43Å; T1817-K1856 PolarHBondContact N-O 3.39Å; T1817-K1856 PolarHBondContact O-N 3.39Å; T1817-I1858 HydrophobicContact CG2-CD1 4.1Å |
| 1818 | F | 82.2 | Confident | 69.2 | Low | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.2 | 167.2 | 173.5 | -83.1 | 0 | 0 | 0 | 105.9 | E1820 R1821 V1823 R1828 F1829 I1847 H1853 F1855 | F1818-E1820 PolarHBondContact O-N 3.26Å; F1818-R1821 PolarHBondContact N-O 3.39Å; F1818-R1821 PolarHBondContact O-N 3.02Å; F1818-V1823 HydrophobicContact CB-CG1 3.6Å; F1818-R1828 VanDerWaalsContact CD1-NH2 3.29Å; F1818-F1829 HydrophobicContact CB-CE2 3.99Å; F1818-F1829 HydrophobicContact CD1-CE2 4.41Å; F1818-F1829 AromaticContact CD2-CE2 3.99Å; F1818-F1829 HydrophobicContact CD2-CE2 3.99Å; F1818-F1829 AromaticContact CD2-CZ 3.67Å; F1818-F1829 HydrophobicContact CD2-CZ 3.67Å; F1818-F1829 AromaticContact CE2-CZ 3.91Å; F1818-F1829 HydrophobicContact CE2-CZ 3.91Å; F1818-F1829 AromaticContact CG-CE2 3.87Å; F1818-F1829 HydrophobicContact CG-CE2 3.87Å; F1818-F1829 HydrophobicContact CG-CZ 4.02Å; F1818-I1847 HydrophobicContact CE2-CD1 3.58Å; F1818-I1847 HydrophobicContact CZ-CD1 4.01Å; F1818-H1853 HydrophobicContact CD2-CB 4.49Å; F1818-H1853 HydrophobicContact CE2-CB 3.51Å; F1818-H1853 AromaticContact CE2-CG 3.98Å; F1818-H1853 HydrophobicContact CZ-CB 3.75Å; F1818-H1853 AromaticContact CZ-CG 3.79Å; F1818-H1853 AromaticContact CZ-ND1 3.44Å; F1818-H1853 WeakPolarHBondContact CZ-ND1 3.18Å; F1818-F1855 HydrophobicContact CB-CD1 4Å; F1818-F1855 HydrophobicContact CB-CE1 4.06Å; F1818-F1855 AromaticContact CD2-CD1 3.92Å; F1818-F1855 HydrophobicContact CD2-CD1 3.92Å; F1818-F1855 HydrophobicContact CD2-CD2 4.08Å; F1818-F1855 AromaticContact CD2-CE1 3.52Å; F1818-F1855 HydrophobicContact CD2-CE1 3.52Å; F1818-F1855 AromaticContact CD2-CE2 3.64Å; F1818-F1855 HydrophobicContact CD2-CE2 3.64Å; F1818-F1855 HydrophobicContact CD2-CG 4.21Å; F1818-F1855 AromaticContact CD2-CZ 3.38Å; F1818-F1855 HydrophobicContact CD2-CZ 3.38Å; F1818-F1855 HydrophobicContact CE2-CE1 4.41Å; F1818-F1855 AromaticContact CE2-CE2 3.93Å; F1818-F1855 HydrophobicContact CE2-CE2 3.93Å; F1818-F1855 AromaticContact CE2-CZ 3.84Å; F1818-F1855 HydrophobicContact CE2-CZ 3.84Å; F1818-F1855 HydrophobicContact CG-CD1 4.49Å; F1818-F1855 HydrophobicContact CG-CE1 4.24Å; F1818-F1855 HydrophobicContact CG-CZ 4.47Å |
| 1819 | D | 68.4 | Low | 70 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 59.6 | -177.7 | -57.7 | -18.2 | 0 | 0 | 0 | 113 | R1821 K1854 | D1819-R1821 PolarHBondContact O-N 2.77Å; D1819-R1821 VanDerWaalsContact O-N 3.12Å; D1819-K1854 PolarHBondContact N-O 2.89Å; D1819-K1854 PolarHBondContact OD1-N 2.93Å |
| 1820 | E | 65.8 | Low | 71.2 | Confident | 142 Ų | 142 | 71.3 Ų | 71.3 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 3.3 | -176.7 | -55 | -58.9 | 112 | 0 | 0 | 117 | F1818 K1856 | F1818-E1820 PolarHBondContact O-N 3.26Å; E1820-K1856 IonicContact OE1-NZ 3.53Å; E1820-K1856 PolarHBondContact OE1-NZ 3.05Å |
| 1821 | R | 67.5 | Low | 72.1 | Confident | 201 Ų | 201 | 68 Ų | 68 | 76% | 0.758 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.6 | 179.5 | -60.6 | -179.9 | -179.8 | -164 | -1 | 112 | T1817 F1818 D1819 V1823 | T1817-R1821 CarbonylContact C-O 3.49Å; T1817-R1821 WeakPolarHBondContact CA-O 3.42Å; T1817-R1821 WeakPolarHBondContact CB-O 3.44Å; F1818-R1821 PolarHBondContact N-O 3.39Å; F1818-R1821 PolarHBondContact O-N 3.02Å; D1819-R1821 PolarHBondContact O-N 2.77Å; D1819-R1821 VanDerWaalsContact O-N 3.12Å; R1821-V1823 PolarHBondContact O-N 2.71Å |
| 1822 | S | 73.3 | Confident | 72.8 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.1 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | V1816 E1824 R1825 | V1816-S1822 WeakPolarHBondContact O-CA 3.33Å; S1822-E1824 PolarHBondContact O-N 3.48Å; S1822-E1824 PolarHBondContact OG-N 3.22Å; S1822-R1825 PolarHBondContact O-N 3.28Å; S1822-R1825 VanDerWaalsContact O-N 3.09Å |
| 1823 | V | 79.7 | Confident | 73.6 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -66.8 | -20.6 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | V1816 F1818 R1821 R1825 D1826 F1829 V1831 V1841 F1855 | V1816-V1823 HydrophobicContact CB-CG2 3.67Å; V1816-V1823 HydrophobicContact CG1-CG1 4.08Å; V1816-V1823 HydrophobicContact CG1-CG2 3.79Å; V1816-V1823 WeakPolarHBondContact O-CG2 3.12Å; V1816-V1823 PolarHBondContact O-N 3Å; F1818-V1823 HydrophobicContact CB-CG1 3.6Å; R1821-V1823 PolarHBondContact O-N 2.71Å; V1823-R1825 PolarHBondContact O-N 2.85Å; V1823-D1826 PolarHBondContact O-N 2.82Å; V1823-D1826 VanDerWaalsContact O-N 3.08Å; V1823-F1829 HydrophobicContact CB-CB 4.14Å; V1823-F1829 HydrophobicContact CB-CD2 3.7Å; V1823-F1829 HydrophobicContact CB-CG 4.17Å; V1823-F1829 HydrophobicContact CG1-CD2 3.57Å; V1823-F1829 HydrophobicContact CG1-CE2 3.96Å; V1823-F1829 HydrophobicContact CG1-CG 4.21Å; V1823-V1831 HydrophobicContact CB-CG2 4.22Å; V1823-V1831 HydrophobicContact CG2-CG2 3.62Å; V1823-V1841 HydrophobicContact CG2-CG1 4.34Å; V1823-V1841 HydrophobicContact CG2-CG2 4.07Å; V1823-F1855 HydrophobicContact CG1-CD1 3.85Å; V1823-F1855 HydrophobicContact CG1-CE1 3.89Å |
| 1824 | E | 72.1 | Confident | 73.9 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -70.9 | -7.2 | 175 | -62.1 | -178.1 | 126.4 | 0 | 0 | 112.6 | S1822 V1831 R1833 | S1822-E1824 PolarHBondContact O-N 3.48Å; S1822-E1824 PolarHBondContact OG-N 3.22Å; E1824-V1831 HydrophobicContact CG-CB 4.22Å; E1824-V1831 HydrophobicContact CG-CG1 4.03Å; E1824-V1831 HydrophobicContact CG-CG2 4Å; E1824-R1833 IonicContact OE1-CZ 2.77Å; E1824-R1833 IonicContact OE1-NE 3.16Å; E1824-R1833 PolarHBondContact OE1-NE 3.05Å; E1824-R1833 IonicContact OE1-NH2 2.92Å; E1824-R1833 PolarHBondContact OE1-NH2 2.9Å; E1824-R1833 IonicContact OE2-NH2 3.24Å; E1824-R1833 PolarHBondContact OE2-NH2 3.2Å |
| 1825 | R | 67.3 | Low | 73.4 | Confident | 227 Ų | 227 | 73 Ų | 73 | 86% | 0.857 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -110.4 | 6.1 | 171.4 | -58.5 | -172.6 | -179.2 | -164.6 | 0.6 | 113.2 | S1822 V1823 | S1822-R1825 PolarHBondContact O-N 3.28Å; S1822-R1825 VanDerWaalsContact O-N 3.09Å; V1823-R1825 PolarHBondContact O-N 2.85Å |
| 1826 | D | 68 | Low | 72.1 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | trans | -119.5 | 107.4 | -177 | -175.3 | -21.1 | 0 | 0 | 0 | 111 | V1823 R1828 F1829 | V1823-D1826 PolarHBondContact O-N 2.82Å; V1823-D1826 VanDerWaalsContact O-N 3.08Å; D1826-R1828 PolarHBondContact O-N 2.96Å; D1826-R1828 VanDerWaalsContact OD1-CB 3.28Å; D1826-R1828 WeakPolarHBondContact OD1-CB 3.2Å; D1826-R1828 VanDerWaalsContact OD1-CG 3.3Å; D1826-R1828 WeakPolarHBondContact OD1-CG 3.04Å; D1826-R1828 PolarHBondContact OD1-N 3.1Å; D1826-R1828 IonicContact OD1-NE 2.83Å; D1826-R1828 PolarHBondContact OD1-NE 2.87Å; D1826-R1828 VanDerWaalsContact OD1-NE 3.15Å; D1826-R1828 IonicContact OD2-CZ 3.74Å; D1826-R1828 IonicContact OD2-NE 3.2Å; D1826-R1828 PolarHBondContact OD2-NE 3.42Å; D1826-R1828 VanDerWaalsContact OD2-NE 3.11Å; D1826-R1828 IonicContact OD2-NH2 3.88Å; D1826-R1828 PolarHBondContact OD2-NH2 2.01Å; D1826-F1829 HydrophobicContact CB-CD2 3.91Å; D1826-F1829 HydrophobicContact CB-CE2 4.22Å; D1826-F1829 PolarHBondContact O-N 2.95Å; D1826-F1829 WeakPolarHBondContact OD2-CE2 3.19Å | ||
| 1827 | N | 69.5 | Low | 71.5 | Confident | 160 Ų | 160 | 77.5 Ų | 77.5 | 86% | 0.856 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -8 | -175.8 | -64.8 | -13.6 | 0 | 0 | 0 | 114.6 | F1829 | N1827-F1829 PolarHBondContact O-N 3.33Š|
| 1828 | R | 63.2 | Low | 71 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 25% | 0.249 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.5 | 169.5 | -62.8 | 179.9 | -65.1 | 161.8 | 9.6 | 112.2 | F1818 D1826 D1849 | F1818-R1828 VanDerWaalsContact CD1-NH2 3.29Å; D1826-R1828 PolarHBondContact O-N 2.96Å; D1826-R1828 VanDerWaalsContact OD1-CB 3.28Å; D1826-R1828 WeakPolarHBondContact OD1-CB 3.2Å; D1826-R1828 VanDerWaalsContact OD1-CG 3.3Å; D1826-R1828 WeakPolarHBondContact OD1-CG 3.04Å; D1826-R1828 PolarHBondContact OD1-N 3.1Å; D1826-R1828 IonicContact OD1-NE 2.83Å; D1826-R1828 PolarHBondContact OD1-NE 2.87Å; D1826-R1828 VanDerWaalsContact OD1-NE 3.15Å; D1826-R1828 IonicContact OD2-CZ 3.74Å; D1826-R1828 IonicContact OD2-NE 3.2Å; D1826-R1828 PolarHBondContact OD2-NE 3.42Å; D1826-R1828 VanDerWaalsContact OD2-NE 3.11Å; D1826-R1828 IonicContact OD2-NH2 3.88Å; D1826-R1828 PolarHBondContact OD2-NH2 2.01Å; R1828-D1849 IonicContact NH1-OD2 3.95Å; R1828-D1849 PolarHBondContact NH1-OD2 3.3Å; R1828-D1849 VanDerWaalsContact NH1-OD2 3.08Å |
| 1829 | F | 77.9 | Confident | 71.1 | Confident | 12 Ų | 12 | 76.7 Ų | 76.7 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | trans | -119.4 | 118.7 | -173.6 | -51.8 | -57.1 | 0 | 0 | 0 | 112.8 | F1801 F1818 V1823 D1826 N1827 V1831 V1841 T1842 A1843 I1847 F1855 | F1801-F1829 HydrophobicContact CZ-CE1 4.28Å; F1818-F1829 HydrophobicContact CB-CE2 3.99Å; F1818-F1829 HydrophobicContact CD1-CE2 4.41Å; F1818-F1829 AromaticContact CD2-CE2 3.99Å; F1818-F1829 HydrophobicContact CD2-CE2 3.99Å; F1818-F1829 AromaticContact CD2-CZ 3.67Å; F1818-F1829 HydrophobicContact CD2-CZ 3.67Å; F1818-F1829 AromaticContact CE2-CZ 3.91Å; F1818-F1829 HydrophobicContact CE2-CZ 3.91Å; F1818-F1829 AromaticContact CG-CE2 3.87Å; F1818-F1829 HydrophobicContact CG-CE2 3.87Å; F1818-F1829 HydrophobicContact CG-CZ 4.02Å; V1823-F1829 HydrophobicContact CB-CB 4.14Å; V1823-F1829 HydrophobicContact CB-CD2 3.7Å; V1823-F1829 HydrophobicContact CB-CG 4.17Å; V1823-F1829 HydrophobicContact CG1-CD2 3.57Å; V1823-F1829 HydrophobicContact CG1-CE2 3.96Å; V1823-F1829 HydrophobicContact CG1-CG 4.21Å; D1826-F1829 HydrophobicContact CB-CD2 3.91Å; D1826-F1829 HydrophobicContact CB-CE2 4.22Å; D1826-F1829 PolarHBondContact O-N 2.95Å; D1826-F1829 WeakPolarHBondContact OD2-CE2 3.19Å; N1827-F1829 PolarHBondContact O-N 3.33Å; F1829-V1831 HydrophobicContact CB-CG2 4.43Å; F1829-V1831 PolarHBondContact O-N 3.11Å; F1829-V1841 HydrophobicContact CB-CG1 3.9Å; F1829-V1841 HydrophobicContact CD1-CG1 4.1Å; F1829-V1841 HydrophobicContact CG-CG1 4.06Å; F1829-T1842 CarbonylContact C-O 3.32Å; F1829-T1842 WeakPolarHBondContact CA-O 3.45Å; F1829-A1843 HydrophobicContact CD1-CB 3.95Å; F1829-A1843 HydrophobicContact CE1-CB 4.04Å; F1829-I1847 HydrophobicContact CE1-CD1 3.77Å; F1829-I1847 HydrophobicContact CE1-CG1 3.97Å; F1829-I1847 HydrophobicContact CZ-CD1 3.71Å; F1829-I1847 HydrophobicContact CZ-CG1 4.12Å; F1829-F1855 HydrophobicContact CD1-CE1 4.07Å; F1829-F1855 HydrophobicContact CD1-CZ 4.23Å; F1829-F1855 HydrophobicContact CD2-CE1 4.39Å; F1829-F1855 AromaticContact CE1-CE1 3.71Å; F1829-F1855 HydrophobicContact CE1-CE1 3.71Å; F1829-F1855 AromaticContact CE1-CZ 3.52Å; F1829-F1855 HydrophobicContact CE1-CZ 3.52Å; F1829-F1855 HydrophobicContact CE2-CE1 4.03Å; F1829-F1855 HydrophobicContact CE2-CZ 4.42Å; F1829-F1855 HydrophobicContact CG-CE1 4.41Å; F1829-F1855 AromaticContact CZ-CE1 3.68Å; F1829-F1855 HydrophobicContact CZ-CE1 3.68Å; F1829-F1855 AromaticContact CZ-CZ 3.62Å; F1829-F1855 HydrophobicContact CZ-CZ 3.62Å | ||
| 1830 | V | 78.8 | Confident | 71.9 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 99.6 | 164.1 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | T1832 T1842 P1844 | V1830-T1832 HydrophobicContact CG1-CG2 4.26Å; V1830-T1842 PolarHBondContact N-O 3.09Å; V1830-T1842 PolarHBondContact O-N 2.76Å; V1830-P1844 HydrophobicContact CG2-CG 3.81Å |
| 1831 | V | 73.5 | Confident | 72.8 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | V1823 E1824 F1829 I1839 V1840 | V1823-V1831 HydrophobicContact CB-CG2 4.22Å; V1823-V1831 HydrophobicContact CG2-CG2 3.62Å; E1824-V1831 HydrophobicContact CG-CB 4.22Å; E1824-V1831 HydrophobicContact CG-CG1 4.03Å; E1824-V1831 HydrophobicContact CG-CG2 4Å; F1829-V1831 HydrophobicContact CB-CG2 4.43Å; F1829-V1831 PolarHBondContact O-N 3.11Å; V1831-I1839 HydrophobicContact CG1-CG1 4.3Å; V1831-I1839 HydrophobicContact CG1-CG2 4Å; V1831-V1840 WeakPolarHBondContact CA-O 3.36Å |
| 1832 | T | 72.1 | Confident | 73.6 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 152.1 | 164.6 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | V1830 I1839 V1840 | V1830-T1832 HydrophobicContact CG1-CG2 4.26Å; T1832-I1839 CarbonylContact O-C 3.5Å; T1832-I1839 WeakPolarHBondContact O-CA 2.93Å; T1832-V1840 PolarHBondContact N-O 3.12Å; T1832-V1840 PolarHBondContact O-N 3.14Å |
| 1833 | R | 70.5 | Confident | 74.1 | Confident | 71 Ų | 71 | 57 Ų | 57 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 90.4 | 175.4 | -73.9 | 178.3 | 179.3 | -97.2 | 6.5 | 110.5 | S1813 P1814 E1824 S1835 T1838 I1839 | S1813-R1833 PolarHBondContact OG-NH1 3.16Å; P1814-R1833 PolarHBondContact O-NH1 3.13Å; P1814-R1833 PolarHBondContact O-NH2 3.46Å; E1824-R1833 IonicContact OE1-CZ 2.77Å; E1824-R1833 IonicContact OE1-NE 3.16Å; E1824-R1833 PolarHBondContact OE1-NE 3.05Å; E1824-R1833 IonicContact OE1-NH2 2.92Å; E1824-R1833 PolarHBondContact OE1-NH2 2.9Å; E1824-R1833 IonicContact OE2-NH2 3.24Å; E1824-R1833 PolarHBondContact OE2-NH2 3.2Å; R1833-S1835 PolarHBondContact O-N 2.89Å; R1833-S1835 VanDerWaalsContact O-N 3.09Å; R1833-T1838 CarbonylContact C-O 3.46Å; R1833-T1838 VanDerWaalsContact C-O 3.29Å; R1833-T1838 WeakPolarHBondContact CA-O 3.49Å; R1833-T1838 WeakPolarHBondContact CB-O 2.99Å; R1833-I1839 HydrophobicContact CG-CG1 3.89Å |
| 1834 | P | 73.6 | Confident | 73.7 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | -18.4 | -179.7 | -27.7 | 34.3 | 0 | 0 | 0 | 115.6 | T1838 V1840 | P1834-T1838 HydrophobicContact CB-CG2 3.99Å; P1834-T1838 VanDerWaalsContact CD-O 3.28Å; P1834-T1838 WeakPolarHBondContact CD-O 3.45Å; P1834-T1838 HydrophobicContact CG-CG2 3.83Å; P1834-V1840 HydrophobicContact CG-CB 4.43Å; P1834-V1840 HydrophobicContact CG-CG2 3.63Å |
| 1835 | S | 66.9 | Low | 73.7 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 173.6 | 169.9 | 73 | 0 | 0 | 0 | 0 | 109.4 | R1833 Q1837 T1838 | R1833-S1835 PolarHBondContact O-N 2.89Å; R1833-S1835 VanDerWaalsContact O-N 3.09Å; S1835-Q1837 PolarHBondContact O-N 2.94Å; S1835-Q1837 VanDerWaalsContact O-N 3.15Å; S1835-Q1837 WeakPolarHBondContact OG-CA 2.96Å; S1835-Q1837 VanDerWaalsContact OG-CB 3.29Å; S1835-Q1837 WeakPolarHBondContact OG-CB 2.81Å; S1835-Q1837 PolarHBondContact OG-N 3.27Å; S1835-Q1837 VanDerWaalsContact OG-N 3.07Å; S1835-T1838 PolarHBondContact O-N 3.16Å; S1835-T1838 WeakPolarHBondContact OG-CB 3.31Å; S1835-T1838 PolarHBondContact OG-N 2.73Å; S1835-T1838 PolarHBondContact OG-OG1 2.94Å |
| 1836 | L | 56 | Low | 74.1 | Confident | 122 Ų | 122 | 49.7 Ų | 49.7 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34.2 | 166.9 | -85.6 | 169.7 | 0 | 0 | 0 | 111.7 | S1813 | S1813-L1836 VanDerWaalsContact CA-O 3.23Å; S1813-L1836 WeakPolarHBondContact CA-O 3.38Å; S1813-L1836 VanDerWaalsContact CB-O 3.28Å; S1813-L1836 WeakPolarHBondContact CB-O 3.34Å; S1813-L1836 PolarHBondContact OG-O 2.76Å |
| 1837 | Q | 72.2 | Confident | 74.4 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.8 | -179.4 | -84.2 | 162.6 | -38.9 | 0 | 0 | 113.8 | S1806 T1807 S1808 I1809 P1814 S1835 | S1806-Q1837 CarbonylContact C-O 3.57Å; S1806-Q1837 VanDerWaalsContact CA-O 3.29Å; S1806-Q1837 WeakPolarHBondContact CA-O 3.22Å; T1807-Q1837 HydrophobicContact CG2-CB 4.19Å; T1807-Q1837 HydrophobicContact CG2-CG 4.06Å; T1807-Q1837 PolarHBondContact N-O 2Å; T1807-Q1837 WeakPolarHBondContact O-CB 3.33Å; T1807-Q1837 VanDerWaalsContact O-CG 3.22Å; T1807-Q1837 WeakPolarHBondContact O-CG 3.43Å; S1808-Q1837 VanDerWaalsContact C-NE2 3.32Å; S1808-Q1837 PolarHBondContact O-NE2 3.38Å; I1809-Q1837 VanDerWaalsContact C-NE2 3.34Å; I1809-Q1837 VanDerWaalsContact O-CG 3.24Å; I1809-Q1837 WeakPolarHBondContact O-CG 3.47Å; I1809-Q1837 PolarHBondContact O-NE2 2.77Å; P1814-Q1837 WeakPolarHBondContact CD-O 3.23Å; P1814-Q1837 WeakPolarHBondContact CG-O 3.04Å; S1835-Q1837 PolarHBondContact O-N 2.94Å; S1835-Q1837 VanDerWaalsContact O-N 3.15Å; S1835-Q1837 WeakPolarHBondContact OG-CA 2.96Å; S1835-Q1837 VanDerWaalsContact OG-CB 3.29Å; S1835-Q1837 WeakPolarHBondContact OG-CB 2.81Å; S1835-Q1837 PolarHBondContact OG-N 3.27Å; S1835-Q1837 VanDerWaalsContact OG-N 3.07Å |
| 1838 | T | 73.3 | Confident | 74 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.8 | -168.2 | -45.1 | 0 | 0 | 0 | 0 | 112.4 | E1804 R1833 P1834 S1835 | E1804-T1838 HydrophobicContact CG-CG2 3.59Å; E1804-T1838 WeakPolarHBondContact OE1-CG2 3.36Å; R1833-T1838 CarbonylContact C-O 3.46Å; R1833-T1838 VanDerWaalsContact C-O 3.29Å; R1833-T1838 WeakPolarHBondContact CA-O 3.49Å; R1833-T1838 WeakPolarHBondContact CB-O 2.99Å; P1834-T1838 HydrophobicContact CB-CG2 3.99Å; P1834-T1838 VanDerWaalsContact CD-O 3.28Å; P1834-T1838 WeakPolarHBondContact CD-O 3.45Å; P1834-T1838 HydrophobicContact CG-CG2 3.83Å; S1835-T1838 PolarHBondContact O-N 3.16Å; S1835-T1838 WeakPolarHBondContact OG-CB 3.31Å; S1835-T1838 PolarHBondContact OG-N 2.73Å; S1835-T1838 PolarHBondContact OG-OG1 2.94Å |
| 1839 | I | 82.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.2 | 156.7 | -80.6 | 169.7 | 0 | 0 | 0 | 109.3 | E1804 C1805 P1814 V1816 V1831 T1832 R1833 V1841 | E1804-I1839 CarbonylContact C-O 2.98Å; E1804-I1839 WeakPolarHBondContact CA-O 2.9Å; C1805-I1839 CarbonylContact C-O 3.58Å; C1805-I1839 PolarHBondContact N-O 2.03Å; C1805-I1839 PolarHBondContact O-N 3.23Å; C1805-I1839 VanDerWaalsContact O-O 3.09Å; P1814-I1839 HydrophobicContact CB-CD1 4.32Å; P1814-I1839 HydrophobicContact CG-CB 4.48Å; P1814-I1839 HydrophobicContact CG-CD1 4.1Å; P1814-I1839 HydrophobicContact CG-CG1 4.14Å; P1814-I1839 VanDerWaalsContact O-CD1 3.3Å; P1814-I1839 WeakPolarHBondContact O-CD1 3.45Å; V1816-I1839 HydrophobicContact CB-CD1 4.36Å; V1816-I1839 HydrophobicContact CG2-CD1 3.78Å; V1816-I1839 HydrophobicContact CG2-CG2 3.96Å; V1831-I1839 HydrophobicContact CG1-CG1 4.3Å; V1831-I1839 HydrophobicContact CG1-CG2 4Å; T1832-I1839 CarbonylContact O-C 3.5Å; T1832-I1839 WeakPolarHBondContact O-CA 2.93Å; R1833-I1839 HydrophobicContact CG-CG1 3.89Å; I1839-V1841 HydrophobicContact CG2-CG2 3.44Å; I1839-V1841 VanDerWaalsContact CG2-CG2 3.44Å |
| 1840 | V | 86 | Confident | 73.2 | Confident | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 116.7 | 155.2 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | F1803 E1804 V1831 T1832 P1834 | F1803-V1840 CarbonylContact O-C 3.56Å; F1803-V1840 WeakPolarHBondContact O-CA 3.32Å; E1804-V1840 HydrophobicContact CB-CG2 3.83Å; E1804-V1840 HydrophobicContact CG-CG2 3.74Å; V1831-V1840 WeakPolarHBondContact CA-O 3.36Å; T1832-V1840 PolarHBondContact N-O 3.12Å; T1832-V1840 PolarHBondContact O-N 3.14Å; P1834-V1840 HydrophobicContact CG-CB 4.43Å; P1834-V1840 HydrophobicContact CG-CG2 3.63Å |
| 1841 | V | 85.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.9 | 174.9 | -173 | 0 | 0 | 0 | 0 | 108 | Q1802 F1803 V1816 V1823 F1829 I1839 F1855 | Q1802-V1841 CarbonylContact C-O 3.24Å; Q1802-V1841 WeakPolarHBondContact CA-O 3.1Å; F1803-V1841 HydrophobicContact CD1-CB 4.3Å; F1803-V1841 HydrophobicContact CD2-CB 4.35Å; F1803-V1841 HydrophobicContact CD2-CG2 4.45Å; F1803-V1841 HydrophobicContact CE1-CB 3.79Å; F1803-V1841 HydrophobicContact CE1-CG1 4.05Å; F1803-V1841 HydrophobicContact CE1-CG2 4.39Å; F1803-V1841 HydrophobicContact CE2-CB 3.85Å; F1803-V1841 HydrophobicContact CE2-CG2 3.66Å; F1803-V1841 HydrophobicContact CZ-CB 3.54Å; F1803-V1841 HydrophobicContact CZ-CG1 3.99Å; F1803-V1841 HydrophobicContact CZ-CG2 3.63Å; F1803-V1841 PolarHBondContact N-O 3.37Å; F1803-V1841 PolarHBondContact O-N 3.05Å; V1816-V1841 HydrophobicContact CB-CG2 4.1Å; V1816-V1841 HydrophobicContact CG1-CG2 3.97Å; V1816-V1841 HydrophobicContact CG2-CG2 4.1Å; V1823-V1841 HydrophobicContact CG2-CG1 4.34Å; V1823-V1841 HydrophobicContact CG2-CG2 4.07Å; F1829-V1841 HydrophobicContact CB-CG1 3.9Å; F1829-V1841 HydrophobicContact CD1-CG1 4.1Å; F1829-V1841 HydrophobicContact CG-CG1 4.06Å; I1839-V1841 HydrophobicContact CG2-CG2 3.44Å; I1839-V1841 VanDerWaalsContact CG2-CG2 3.44Å; V1841-F1855 HydrophobicContact CG1-CE1 4.09Å |
| 1842 | T | 84.9 | Confident | 72.5 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 17% | 0.172 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.4 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | Q1802 F1829 V1830 P1844 | Q1802-T1842 HydrophobicContact CB-CG2 4.15Å; F1829-T1842 CarbonylContact C-O 3.32Å; F1829-T1842 WeakPolarHBondContact CA-O 3.45Å; V1830-T1842 PolarHBondContact N-O 3.09Å; V1830-T1842 PolarHBondContact O-N 2.76Å; T1842-P1844 HydrophobicContact CG2-CB 4.41Å; T1842-P1844 WeakPolarHBondContact O-CD 3.4Å |
| 1843 | A | 82.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 88.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | R1800 F1801 F1829 T1845 G1846 | R1800-A1843 VanDerWaalsContact CA-O 3.26Å; R1800-A1843 WeakPolarHBondContact CA-O 2.99Å; F1801-A1843 HydrophobicContact CD1-CB 3.81Å; F1801-A1843 HydrophobicContact CD2-CB 4.16Å; F1801-A1843 HydrophobicContact CE1-CB 3.49Å; F1801-A1843 VanDerWaalsContact CE1-CB 3.49Å; F1801-A1843 HydrophobicContact CE2-CB 3.86Å; F1801-A1843 HydrophobicContact CG-CB 4.13Å; F1801-A1843 HydrophobicContact CZ-CB 3.52Å; F1801-A1843 PolarHBondContact N-O 3.1Å; F1801-A1843 PolarHBondContact O-N 2.83Å; F1829-A1843 HydrophobicContact CD1-CB 3.95Å; F1829-A1843 HydrophobicContact CE1-CB 4.04Å; A1843-T1845 VanDerWaalsContact C-N 3.27Å; A1843-T1845 PolarHBondContact O-N 3.45Å; A1843-G1846 PolarHBondContact O-N 3.21Å |
| 1844 | P | 72.4 | Confident | 73.4 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | -170.3 | 29 | -37.7 | 0 | 0 | 0 | 112.8 | R1800 V1830 T1842 | R1800-P1844 VanDerWaalsContact CB-O 3.26Å; R1800-P1844 WeakPolarHBondContact CB-O 3.28Å; V1830-P1844 HydrophobicContact CG2-CG 3.81Å; T1842-P1844 HydrophobicContact CG2-CB 4.41Å; T1842-P1844 WeakPolarHBondContact O-CD 3.4Å |
| 1845 | T | 71.2 | Confident | 74.1 | Confident | 92 Ų | 92 | 41 Ų | 41 | 56% | 0.564 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.6 | 175 | 49.8 | 0 | 0 | 0 | 0 | 113 | N1798 A1843 | N1798-T1845 CarbonylContact C-O 3.42Å; N1798-T1845 VanDerWaalsContact C-O 3.23Å; N1798-T1845 WeakPolarHBondContact CA-O 3.35Å; A1843-T1845 VanDerWaalsContact C-N 3.27Å; A1843-T1845 PolarHBondContact O-N 3.45Å |
| 1846 | G | 76.5 | Confident | 74.7 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | 64 | -166.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1799 A1843 | Q1799-G1846 WeakPolarHBondContact O-CA 3.38Å; A1843-G1846 PolarHBondContact O-N 3.21Å | ||
| 1847 | I | 72.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | trans | -116.4 | 143.9 | 172 | -67.2 | 168.6 | 0 | 0 | 0 | 108 | P1797 N1798 F1801 F1818 F1829 D1849 F1855 I1871 | P1797-I1847 WeakPolarHBondContact CA-O 3.23Å; N1798-I1847 PolarHBondContact N-O 3.01Å; F1801-I1847 HydrophobicContact CE1-CD1 4Å; F1801-I1847 HydrophobicContact CE1-CG1 4.06Å; F1801-I1847 HydrophobicContact CZ-CD1 3.7Å; F1801-I1847 HydrophobicContact CZ-CG1 4.16Å; F1818-I1847 HydrophobicContact CE2-CD1 3.58Å; F1818-I1847 HydrophobicContact CZ-CD1 4.01Å; F1829-I1847 HydrophobicContact CE1-CD1 3.77Å; F1829-I1847 HydrophobicContact CE1-CG1 3.97Å; F1829-I1847 HydrophobicContact CZ-CD1 3.71Å; F1829-I1847 HydrophobicContact CZ-CG1 4.12Å; I1847-D1849 HydrophobicContact CG2-CB 3.74Å; I1847-D1849 WeakPolarHBondContact CG2-OD2 3.09Å; I1847-F1855 HydrophobicContact CD1-CZ 4.36Å; I1847-I1871 HydrophobicContact CB-CD1 3.48Å; I1847-I1871 VanDerWaalsContact CB-CD1 3.48Å; I1847-I1871 HydrophobicContact CD1-CD1 4.22Å; I1847-I1871 HydrophobicContact CG1-CD1 4.43Å; I1847-I1871 HydrophobicContact CG2-CD1 3.58Å | ||
| 1848 | S | 62.5 | Low | 76.1 | Confident | 41 Ų | 41 | 35.3 Ų | 35.3 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | trans | -84.2 | -8.9 | -176.9 | 43.8 | 0 | 0 | 0 | 0 | 115.2 | N1798 R1890 | N1798-S1848 VanDerWaalsContact OD1-CA 3.23Å; N1798-S1848 WeakPolarHBondContact OD1-CA 3.26Å; N1798-S1848 WeakPolarHBondContact OD1-CB 3.37Å; N1798-S1848 PolarHBondContact OD1-N 3.49Å; S1848-R1890 PolarHBondContact O-NH2 2.98Å; S1848-R1890 VanDerWaalsContact O-NH2 3.1Å | ||
| 1849 | D | 64.1 | Low | 75.9 | Confident | 61 Ų | 61 | 35.7 Ų | 35.7 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | trans | -104.7 | 112.1 | -153.6 | -47.1 | -33.5 | 0 | 0 | 0 | 109 | R1828 I1847 G1851 H1853 I1871 | R1828-D1849 IonicContact NH1-OD2 3.95Å; R1828-D1849 PolarHBondContact NH1-OD2 3.3Å; R1828-D1849 VanDerWaalsContact NH1-OD2 3.08Å; I1847-D1849 HydrophobicContact CG2-CB 3.74Å; I1847-D1849 WeakPolarHBondContact CG2-OD2 3.09Å; D1849-G1851 PolarHBondContact O-N 2.83Å; D1849-H1853 PolarHBondContact O-NE2 3.25Å; D1849-I1871 WeakPolarHBondContact O-CB 3.35Å | ||
| 1850 | I | 60.5 | Low | 74.5 | Confident | 90 Ų | 90 | 38.3 Ų | 38.3 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | trans | -75.6 | 121 | -171.5 | -62.2 | 153.8 | 0 | 0 | 0 | 109.2 | P1797 | P1797-I1850 HydrophobicContact CG-CG1 3.8Š| ||
| 1851 | G | 64.8 | Low | 72.6 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.7 | -174.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1849 I1871 | D1849-G1851 PolarHBondContact O-N 2.83Å; G1851-I1871 PolarHBondContact N-O 2.82Å; G1851-I1871 PolarHBondContact O-N 2.99Å |
| 1852 | A | 71.7 | Confident | 70.5 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 71% | 0.711 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1853 | H | 80.7 | Confident | 69.1 | Low | 21 Ų | 21 | 52.7 Ų | 52.7 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.3 | -176.7 | -52.3 | -93.9 | 0 | 0 | 0 | 110.1 | F1818 D1849 V1869 | F1818-H1853 HydrophobicContact CD2-CB 4.49Å; F1818-H1853 HydrophobicContact CE2-CB 3.51Å; F1818-H1853 AromaticContact CE2-CG 3.98Å; F1818-H1853 HydrophobicContact CZ-CB 3.75Å; F1818-H1853 AromaticContact CZ-CG 3.79Å; F1818-H1853 AromaticContact CZ-ND1 3.44Å; F1818-H1853 WeakPolarHBondContact CZ-ND1 3.18Å; D1849-H1853 PolarHBondContact O-NE2 3.25Å; H1853-V1869 PolarHBondContact N-O 3.11Å; H1853-V1869 PolarHBondContact O-N 2.85Å |
| 1854 | K | 81.2 | Confident | 68.1 | Low | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.1 | -176.3 | -82.4 | -176 | 173.2 | -72.3 | 0 | 112.4 | D1819 E1866 D1868 | D1819-K1854 PolarHBondContact N-O 2.89Å; D1819-K1854 PolarHBondContact OD1-N 2.93Å; K1854-E1866 IonicContact NZ-OE2 3.19Å; K1854-E1866 PolarHBondContact NZ-OE2 2.76Å; K1854-D1868 WeakPolarHBondContact CE-OD1 3.17Å; K1854-D1868 IonicContact NZ-OD1 2.79Å; K1854-D1868 PolarHBondContact NZ-OD1 3.35Å |
| 1855 | F | 87.1 | Confident | 68.2 | Low | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120 | 169.3 | -62.4 | -105.7 | 0 | 0 | 0 | 111.7 | F1801 F1803 V1816 T1817 F1818 V1823 F1829 V1841 I1847 E1866 V1867 V1869 | F1801-F1855 HydrophobicContact CE2-CE2 4.02Å; F1801-F1855 AromaticContact CE2-CZ 3.85Å; F1801-F1855 HydrophobicContact CE2-CZ 3.85Å; F1801-F1855 HydrophobicContact CZ-CE2 4.12Å; F1801-F1855 AromaticContact CZ-CZ 3.89Å; F1801-F1855 HydrophobicContact CZ-CZ 3.89Å; F1803-F1855 HydrophobicContact CE1-CB 4.08Å; F1803-F1855 AromaticContact CE1-CD1 3.64Å; F1803-F1855 HydrophobicContact CE1-CD1 3.64Å; F1803-F1855 AromaticContact CE1-CD2 3.83Å; F1803-F1855 HydrophobicContact CE1-CD2 3.83Å; F1803-F1855 AromaticContact CE1-CE1 3.87Å; F1803-F1855 HydrophobicContact CE1-CE1 3.87Å; F1803-F1855 HydrophobicContact CE1-CE2 4.08Å; F1803-F1855 AromaticContact CE1-CG 3.59Å; F1803-F1855 HydrophobicContact CE1-CG 3.59Å; F1803-F1855 HydrophobicContact CE1-CZ 4.07Å; F1803-F1855 HydrophobicContact CE2-CB 4.43Å; F1803-F1855 HydrophobicContact CZ-CB 3.58Å; F1803-F1855 AromaticContact CZ-CD1 3.46Å; F1803-F1855 HydrophobicContact CZ-CD1 3.46Å; F1803-F1855 VanDerWaalsContact CZ-CD1 3.46Å; F1803-F1855 HydrophobicContact CZ-CD2 4.21Å; F1803-F1855 HydrophobicContact CZ-CE1 4.08Å; F1803-F1855 AromaticContact CZ-CG 3.51Å; F1803-F1855 HydrophobicContact CZ-CG 3.51Å; V1816-F1855 HydrophobicContact CG1-CB 4.23Å; V1816-F1855 HydrophobicContact CG1-CD1 4.14Å; T1817-F1855 CarbonylContact O-C 3.58Å; T1817-F1855 WeakPolarHBondContact O-CA 3.43Å; F1818-F1855 HydrophobicContact CB-CD1 4Å; F1818-F1855 HydrophobicContact CB-CE1 4.06Å; F1818-F1855 AromaticContact CD2-CD1 3.92Å; F1818-F1855 HydrophobicContact CD2-CD1 3.92Å; F1818-F1855 HydrophobicContact CD2-CD2 4.08Å; F1818-F1855 AromaticContact CD2-CE1 3.52Å; F1818-F1855 HydrophobicContact CD2-CE1 3.52Å; F1818-F1855 AromaticContact CD2-CE2 3.64Å; F1818-F1855 HydrophobicContact CD2-CE2 3.64Å; F1818-F1855 HydrophobicContact CD2-CG 4.21Å; F1818-F1855 AromaticContact CD2-CZ 3.38Å; F1818-F1855 HydrophobicContact CD2-CZ 3.38Å; F1818-F1855 HydrophobicContact CE2-CE1 4.41Å; F1818-F1855 AromaticContact CE2-CE2 3.93Å; F1818-F1855 HydrophobicContact CE2-CE2 3.93Å; F1818-F1855 AromaticContact CE2-CZ 3.84Å; F1818-F1855 HydrophobicContact CE2-CZ 3.84Å; F1818-F1855 HydrophobicContact CG-CD1 4.49Å; F1818-F1855 HydrophobicContact CG-CE1 4.24Å; F1818-F1855 HydrophobicContact CG-CZ 4.47Å; V1823-F1855 HydrophobicContact CG1-CD1 3.85Å; V1823-F1855 HydrophobicContact CG1-CE1 3.89Å; F1829-F1855 HydrophobicContact CD1-CE1 4.07Å; F1829-F1855 HydrophobicContact CD1-CZ 4.23Å; F1829-F1855 HydrophobicContact CD2-CE1 4.39Å; F1829-F1855 AromaticContact CE1-CE1 3.71Å; F1829-F1855 HydrophobicContact CE1-CE1 3.71Å; F1829-F1855 AromaticContact CE1-CZ 3.52Å; F1829-F1855 HydrophobicContact CE1-CZ 3.52Å; F1829-F1855 HydrophobicContact CE2-CE1 4.03Å; F1829-F1855 HydrophobicContact CE2-CZ 4.42Å; F1829-F1855 HydrophobicContact CG-CE1 4.41Å; F1829-F1855 AromaticContact CZ-CE1 3.68Å; F1829-F1855 HydrophobicContact CZ-CE1 3.68Å; F1829-F1855 AromaticContact CZ-CZ 3.62Å; F1829-F1855 HydrophobicContact CZ-CZ 3.62Å; V1841-F1855 HydrophobicContact CG1-CE1 4.09Å; I1847-F1855 HydrophobicContact CD1-CZ 4.36Å; F1855-E1866 CarbonylContact O-C 3.6Å; F1855-E1866 WeakPolarHBondContact O-CA 3.48Å; F1855-V1867 HydrophobicContact CB-CB 4.15Å; F1855-V1867 PolarHBondContact N-O 3.19Å; F1855-V1867 PolarHBondContact O-N 2.73Å; F1855-V1869 HydrophobicContact CD2-CB 4.5Å; F1855-V1869 HydrophobicContact CD2-CG2 3.68Å; F1855-V1869 HydrophobicContact CE2-CB 4.06Å; F1855-V1869 HydrophobicContact CE2-CG2 3.46Å; F1855-V1869 VanDerWaalsContact CE2-CG2 3.46Å |
| 1856 | K | 79.5 | Confident | 68.5 | Low | 53 Ų | 53 | 55.3 Ų | 55.3 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 96.8 | 169.8 | 54.6 | 78 | 165.6 | -176.1 | 0 | 114.8 | V1816 T1817 E1820 V1864 E1866 | V1816-K1856 CarbonylContact C-O 3.51Å; V1816-K1856 VanDerWaalsContact CA-O 3.26Å; V1816-K1856 WeakPolarHBondContact CA-O 2.97Å; T1817-K1856 PolarHBondContact N-O 3.39Å; T1817-K1856 PolarHBondContact O-N 3.39Å; E1820-K1856 IonicContact OE1-NZ 3.53Å; E1820-K1856 PolarHBondContact OE1-NZ 3.05Å; K1856-V1864 HydrophobicContact CB-CG1 3.7Å; K1856-V1864 HydrophobicContact CG-CG1 4.35Å; K1856-E1866 HydrophobicContact CB-CG 4.18Å; K1856-E1866 VanDerWaalsContact CE-OE1 3.32Å; K1856-E1866 WeakPolarHBondContact CE-OE1 2.98Å; K1856-E1866 HydrophobicContact CG-CG 3.88Å; K1856-E1866 WeakPolarHBondContact CG-OE1 3.3Å |
| 1857 | C | 82.9 | Confident | 68.7 | Low | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.3 | 166.4 | -163.5 | 0 | 0 | 0 | 0 | 111.5 | V1788 C1805 V1816 V1864 K1865 | V1788-C1857 HydrophobicContact CG2-CB 4.35Å; C1805-C1857 HydrophobicContact CB-CB 3.93Å; C1805-C1857 WeakPolarHBondContact CB-SG 3.48Å; C1805-C1857 WeakPolarHBondContact SG-CB 3.34Å; C1805-C1857 CovalentContact SG-SG 2.03Å; C1805-C1857 PolarHBondContact SG-SG 2.8Å; V1816-C1857 HydrophobicContact CG2-CB 3.92Å; V1816-C1857 VanDerWaalsContact CG2-SG 3.6Å; C1857-V1864 CarbonylContact O-C 3.55Å; C1857-V1864 VanDerWaalsContact O-CA 3.23Å; C1857-V1864 WeakPolarHBondContact O-CA 3.23Å; C1857-K1865 PolarHBondContact N-O 2.03Å; C1857-K1865 PolarHBondContact O-N 3.13Å |
| 1858 | I | 76.2 | Confident | 68.9 | Low | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.6 | -166.6 | -58.3 | 164.3 | 0 | 0 | 0 | 109.5 | P1814 Q1815 T1817 V1864 | P1814-I1858 CarbonylContact C-O 3.56Å; P1814-I1858 WeakPolarHBondContact CA-O 3.44Å; Q1815-I1858 PolarHBondContact N-O 3.15Å; Q1815-I1858 PolarHBondContact O-N 3.16Å; T1817-I1858 HydrophobicContact CG2-CD1 4.1Å; I1858-V1864 HydrophobicContact CB-CG2 4.43Å; I1858-V1864 HydrophobicContact CG1-CG1 3.92Å; I1858-V1864 HydrophobicContact CG1-CG2 4.02Å; I1858-V1864 HydrophobicContact CG2-CG2 4.25Å |
| 1859 | V | 67.8 | Low | 69.8 | Low | 22 Ų | 22 | 56.5 Ų | 56.5 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -33.5 | 170.7 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | I1786 T1807 I1809 V1812 P1814 I1863 | I1786-V1859 HydrophobicContact CD1-CB 3.87Å; I1786-V1859 HydrophobicContact CD1-CG2 3.48Å; I1786-V1859 VanDerWaalsContact CD1-CG2 3.48Å; I1786-V1859 HydrophobicContact CG1-CB 4.45Å; I1786-V1859 HydrophobicContact CG1-CG2 3.78Å; T1807-V1859 HydrophobicContact CG2-CG2 4.35Å; I1809-V1859 HydrophobicContact CD1-CG1 4.02Å; V1812-V1859 HydrophobicContact CG1-CG1 3.75Å; P1814-V1859 HydrophobicContact CB-CG2 3.97Å; V1859-I1863 HydrophobicContact CB-CB 4.37Å; V1859-I1863 HydrophobicContact CB-CG2 4.49Å; V1859-I1863 PolarHBondContact N-O 3.14Å |
| 1860 | S | 53.4 | Low | 70.2 | Confident | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 176.8 | 166.8 | 73.3 | 0 | 0 | 0 | 0 | 108.8 | N1862 I1863 | S1860-N1862 PolarHBondContact O-N 2.97Å; S1860-I1863 PolarHBondContact O-N 2.88Å; S1860-I1863 WeakPolarHBondContact OG-CG1 3.43Å |
| 1861 | V | 46.8 | Very low | 70.7 | Confident | 139 Ų | 139 | 52.9 Ų | 52.9 | 84% | 0.842 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -32 | -178.2 | -172 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1862 | N | 41.9 | Very low | 70.5 | Confident | 152 Ų | 152 | 55 Ų | 55 | 81% | 0.813 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -1.4 | -176.2 | -61.5 | -3.2 | 0 | 0 | 0 | 113.8 | S1860 | S1860-N1862 PolarHBondContact O-N 2.97Š|
| 1863 | I | 54.7 | Low | 69.8 | Low | 55 Ų | 55 | 53 Ų | 53 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 93.3 | -171.6 | -43.1 | 176.1 | 0 | 0 | 0 | 108.8 | V1784 I1786 V1859 S1860 | V1784-I1863 HydrophobicContact CG1-CD1 4.24Å; V1784-I1863 HydrophobicContact CG1-CG2 4.13Å; I1786-I1863 HydrophobicContact CD1-CB 4.33Å; I1786-I1863 HydrophobicContact CD1-CG2 3.56Å; I1786-I1863 WeakPolarHBondContact CD1-O 3.3Å; I1786-I1863 HydrophobicContact CG1-CG2 3.88Å; V1859-I1863 HydrophobicContact CB-CB 4.37Å; V1859-I1863 HydrophobicContact CB-CG2 4.49Å; V1859-I1863 PolarHBondContact N-O 3.14Å; S1860-I1863 PolarHBondContact O-N 2.88Å; S1860-I1863 WeakPolarHBondContact OG-CG1 3.43Å |
| 1864 | V | 62.2 | Low | 68.8 | Low | 69 Ų | 69 | 58.7 Ų | 58.7 | 42% | 0.418 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.2 | -172.7 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | K1856 C1857 I1858 | K1856-V1864 HydrophobicContact CB-CG1 3.7Å; K1856-V1864 HydrophobicContact CG-CG1 4.35Å; C1857-V1864 CarbonylContact O-C 3.55Å; C1857-V1864 VanDerWaalsContact O-CA 3.23Å; C1857-V1864 WeakPolarHBondContact O-CA 3.23Å; I1858-V1864 HydrophobicContact CB-CG2 4.43Å; I1858-V1864 HydrophobicContact CG1-CG1 3.92Å; I1858-V1864 HydrophobicContact CG1-CG2 4.02Å; I1858-V1864 HydrophobicContact CG2-CG2 4.25Å |
| 1865 | K | 73.6 | Confident | 67.8 | Low | 62 Ų | 62 | 55.3 Ų | 55.3 | 27% | 0.27 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.4 | 174.8 | -163.5 | 157.4 | 173.7 | 171.7 | 0 | 110 | I1786 V1788 C1857 | I1786-K1865 HydrophobicContact CB-CB 4.34Å; I1786-K1865 HydrophobicContact CB-CD 4.35Å; I1786-K1865 HydrophobicContact CG2-CB 3.76Å; I1786-K1865 HydrophobicContact CG2-CD 4.18Å; I1786-K1865 WeakPolarHBondContact O-CD 3.31Å; I1786-K1865 WeakPolarHBondContact O-CE 3.09Å; I1786-K1865 PolarHBondContact O-NZ 3.3Å; V1788-K1865 HydrophobicContact CG2-CB 3.95Å; V1788-K1865 HydrophobicContact CG2-CD 3.96Å; V1788-K1865 HydrophobicContact CG2-CG 3.87Å; C1857-K1865 PolarHBondContact N-O 2.03Å; C1857-K1865 PolarHBondContact O-N 3.13Å |
| 1866 | E | 77.1 | Confident | 66.2 | Low | 82 Ų | 82 | 58.7 Ų | 58.7 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 157.5 | -173.6 | -49.1 | -154.8 | 134.3 | 0 | 0 | 113.1 | K1854 F1855 K1856 | K1854-E1866 IonicContact NZ-OE2 3.19Å; K1854-E1866 PolarHBondContact NZ-OE2 2.76Å; F1855-E1866 CarbonylContact O-C 3.6Å; F1855-E1866 WeakPolarHBondContact O-CA 3.48Å; K1856-E1866 HydrophobicContact CB-CG 4.18Å; K1856-E1866 VanDerWaalsContact CE-OE1 3.32Å; K1856-E1866 WeakPolarHBondContact CE-OE1 2.98Å; K1856-E1866 HydrophobicContact CG-CG 3.88Å; K1856-E1866 WeakPolarHBondContact CG-OE1 3.3Å |
| 1867 | V | 81 | Confident | 65 | Low | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.7 | 164.8 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | V1788 G1791 F1803 F1855 V1869 | V1788-V1867 HydrophobicContact CG1-CG2 3.32Å; G1791-V1867 WeakPolarHBondContact O-CA 3.12Å; F1803-V1867 HydrophobicContact CD1-CG1 4.18Å; F1803-V1867 HydrophobicContact CD1-CG2 4.46Å; F1803-V1867 HydrophobicContact CD2-CG2 3.87Å; F1803-V1867 HydrophobicContact CE2-CG2 3.97Å; F1803-V1867 HydrophobicContact CG-CG1 4.36Å; F1803-V1867 HydrophobicContact CG-CG2 4.13Å; F1803-V1867 HydrophobicContact CZ-CG2 4.3Å; F1855-V1867 HydrophobicContact CB-CB 4.15Å; F1855-V1867 PolarHBondContact N-O 3.19Å; F1855-V1867 PolarHBondContact O-N 2.73Å; V1867-V1869 HydrophobicContact CG1-CG2 4.06Å |
| 1868 | D | 76.7 | Confident | 63.5 | Low | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.8 | 174.6 | -65.8 | -49.3 | 0 | 0 | 0 | 110.5 | G1791 S1792 I1793 K1854 | G1791-D1868 PolarHBondContact O-N 3.32Å; S1792-D1868 CarbonylContact C-O 3.5Å; S1792-D1868 VanDerWaalsContact CA-O 3.31Å; S1792-D1868 WeakPolarHBondContact CA-O 3.15Å; S1792-D1868 PolarHBondContact OG-O 3.42Å; I1793-D1868 PolarHBondContact N-O 2.81Å; K1854-D1868 WeakPolarHBondContact CE-OD1 3.17Å; K1854-D1868 IonicContact NZ-OD1 2.79Å; K1854-D1868 PolarHBondContact NZ-OD1 3.35Å |
| 1869 | V | 82.4 | Confident | 63.3 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108.7 | 178.4 | -175 | 0 | 0 | 0 | 0 | 110.4 | I1793 V1795 F1801 H1853 F1855 V1867 I1871 | I1793-V1869 HydrophobicContact CB-CG1 4.2Å; I1793-V1869 HydrophobicContact CB-CG2 4.09Å; I1793-V1869 HydrophobicContact CD1-CG2 4.32Å; I1793-V1869 HydrophobicContact CG2-CG1 4.18Å; I1793-V1869 WeakPolarHBondContact O-CA 3.14Å; V1795-V1869 HydrophobicContact CG2-CG1 4.32Å; F1801-V1869 HydrophobicContact CD1-CG1 4.38Å; F1801-V1869 HydrophobicContact CE1-CG1 3.98Å; F1801-V1869 HydrophobicContact CE2-CG1 4.13Å; F1801-V1869 HydrophobicContact CE2-CG2 4.18Å; F1801-V1869 HydrophobicContact CZ-CG1 3.84Å; H1853-V1869 PolarHBondContact N-O 3.11Å; H1853-V1869 PolarHBondContact O-N 2.85Å; F1855-V1869 HydrophobicContact CD2-CB 4.5Å; F1855-V1869 HydrophobicContact CD2-CG2 3.68Å; F1855-V1869 HydrophobicContact CE2-CB 4.06Å; F1855-V1869 HydrophobicContact CE2-CG2 3.46Å; F1855-V1869 VanDerWaalsContact CE2-CG2 3.46Å; V1867-V1869 HydrophobicContact CG1-CG2 4.06Å; V1869-I1871 HydrophobicContact CG1-CG1 4.35Å |
| 1870 | E | 71.3 | Confident | 63 | Low | 72 Ų | 72 | 65.7 Ų | 65.7 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.8 | -175.6 | -175.2 | -177 | 175.7 | 0 | 0 | 111.1 | I1793 R1794 V1795 I1872 | I1793-E1870 PolarHBondContact O-N 2.04Å; R1794-E1870 HydrophobicContact CG-CB 4.16Å; R1794-E1870 IonicContact CZ-OE2 3.51Å; R1794-E1870 IonicContact NE-OE2 3.68Å; R1794-E1870 PolarHBondContact NE-OE2 2.76Å; R1794-E1870 IonicContact NH2-OE1 3.64Å; R1794-E1870 PolarHBondContact NH2-OE1 2.96Å; R1794-E1870 IonicContact NH2-OE2 3.46Å; R1794-E1870 PolarHBondContact NH2-OE2 3.31Å; V1795-E1870 PolarHBondContact N-O 2.87Å; E1870-I1872 HydrophobicContact CG-CG1 4.29Å |
| 1871 | I | 72.3 | Confident | 64 | Low | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 107.1 | -168.9 | -54.1 | -169.3 | 0 | 0 | 0 | 109.9 | V1795 P1797 I1847 D1849 G1851 V1869 | V1795-I1871 HydrophobicContact CG2-CG1 4.13Å; V1795-I1871 VanDerWaalsContact O-CA 3.31Å; V1795-I1871 WeakPolarHBondContact O-CA 3.36Å; P1797-I1871 HydrophobicContact CB-CG2 4.37Å; P1797-I1871 HydrophobicContact CG-CG2 3.84Å; I1847-I1871 HydrophobicContact CB-CD1 3.48Å; I1847-I1871 VanDerWaalsContact CB-CD1 3.48Å; I1847-I1871 HydrophobicContact CD1-CD1 4.22Å; I1847-I1871 HydrophobicContact CG1-CD1 4.43Å; I1847-I1871 HydrophobicContact CG2-CD1 3.58Å; D1849-I1871 WeakPolarHBondContact O-CB 3.35Å; G1851-I1871 PolarHBondContact N-O 2.82Å; G1851-I1871 PolarHBondContact O-N 2.99Å; V1869-I1871 HydrophobicContact CG1-CG1 4.35Å |
| 1872 | I | 60.2 | Low | 65.3 | Low | 75 Ų | 75 | 61.6 Ų | 61.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -101.4 | 122.3 | -161.6 | -50.8 | 174.8 | 0 | 0 | 0 | 110.9 | V1795 P1797 E1870 | V1795-I1872 PolarHBondContact O-N 2.81Å; P1797-I1872 WeakPolarHBondContact CD-O 3.03Å; E1870-I1872 HydrophobicContact CG-CG1 4.29Å | ||
| 1873 | S | 57.3 | Low | 66.5 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | trans | -88.9 | 130.5 | 175.3 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | C1875 | S1873-C1875 PolarHBondContact OG-N 3.02Å; S1873-C1875 PolarHBondContact OG-O 2.77Å | ||
| 1874 | E | 60 | Low | 67.2 | Low | 141 Ų | 141 | 61.7 Ų | 61.7 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -92.8 | -11.2 | 167.1 | -66.2 | -169.5 | 155.3 | 0 | 0 | 113.7 | K1881 | E1874-K1881 IonicContact OE2-NZ 3.8Å; E1874-K1881 PolarHBondContact OE2-NZ 3.46Å |
| 1875 | C | 60.5 | Low | 67.2 | Low | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -99 | 148.5 | 171.7 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | S1873 Q1879 C1887 | S1873-C1875 PolarHBondContact OG-N 3.02Å; S1873-C1875 PolarHBondContact OG-O 2.77Å; C1875-Q1879 HydrophobicContact CB-CB 4.12Å; C1875-C1887 VanDerWaalsContact CA-SG 3.59Å; C1875-C1887 HydrophobicContact CB-CB 3.84Å; C1875-C1887 WeakPolarHBondContact CB-SG 3.07Å; C1875-C1887 WeakPolarHBondContact SG-CB 3.37Å; C1875-C1887 CovalentContact SG-SG 2.05Å; C1875-C1887 PolarHBondContact SG-SG 2.82Å |
| 1876 | P | 53 | Low | 66.9 | Low | 72 Ų | 72 | 61.8 Ų | 61.8 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 155.3 | 172.4 | -26.4 | 34.7 | 0 | 0 | 0 | 113.9 | G1878 Q1879 | P1876-G1878 PolarHBondContact O-N 3.18Å; P1876-Q1879 PolarHBondContact O-N 2.85Å; P1876-Q1879 VanDerWaalsContact O-N 3.16Å |
| 1877 | P | 53.1 | Low | 66.7 | Low | 136 Ų | 136 | 59.9 Ų | 59.9 | 88% | 0.883 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 133.2 | 177.4 | -27.5 | 35.7 | 0 | 0 | 0 | 113 | ||
| 1878 | G | 51.6 | Low | 66.2 | Low | 56 Ų | 56 | 62 Ų | 62 | 58% | 0.577 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1876 R1890 | P1876-G1878 PolarHBondContact O-N 3.18Å; G1878-R1890 PolarHBondContact O-N 2.58Å |
| 1879 | Q | 71.7 | Confident | 65.7 | Low | 61 Ų | 61 | 61.9 Ų | 61.9 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 163.5 | 179.5 | -63.7 | -177.2 | -13.1 | 0 | 0 | 113.6 | C1875 P1876 C1887 L1888 | C1875-Q1879 HydrophobicContact CB-CB 4.12Å; P1876-Q1879 PolarHBondContact O-N 2.85Å; P1876-Q1879 VanDerWaalsContact O-N 3.16Å; Q1879-C1887 HydrophobicContact CB-CB 4.24Å; Q1879-C1887 VanDerWaalsContact OE1-CB 3.25Å; Q1879-L1888 CarbonylContact C-O 3.57Å; Q1879-L1888 WeakPolarHBondContact CA-O 3.42Å; Q1879-L1888 VanDerWaalsContact CB-O 3.29Å; Q1879-L1888 WeakPolarHBondContact CB-O 3.07Å |
| 1880 | A | 61.8 | Low | 64.9 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 157.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | C1887 L1888 R1890 F1893 | A1880-C1887 CarbonylContact O-C 3.42Å; A1880-C1887 WeakPolarHBondContact O-CA 3.48Å; A1880-L1888 PolarHBondContact N-O 3.28Å; A1880-L1888 PolarHBondContact O-N 3.28Å; A1880-R1890 HydrophobicContact CB-CG 4Å; A1880-F1893 HydrophobicContact CB-CD2 4.13Å; A1880-F1893 HydrophobicContact CB-CE1 4.49Å; A1880-F1893 HydrophobicContact CB-CE2 3.73Å; A1880-F1893 HydrophobicContact CB-CZ 3.95Å |
| 1881 | K | 75 | Confident | 64.6 | Low | 104 Ų | 104 | 68.4 Ų | 68.4 | 45% | 0.452 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.7 | -170.5 | -155.8 | 171.7 | -174 | 178 | 0 | 110.3 | E1874 E1886 | E1874-K1881 IonicContact OE2-NZ 3.8Å; E1874-K1881 PolarHBondContact OE2-NZ 3.46Å; K1881-E1886 CarbonylContact C-O 3.57Å; K1881-E1886 WeakPolarHBondContact CA-O 3.35Å |
| 1882 | C | 73.9 | Confident | 64.5 | Low | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.02 | 40% | 0.401 | C | S | . | . | trans | -57.8 | 153.4 | 164.9 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | S1884 G1885 E1886 C1900 | C1882-S1884 VanDerWaalsContact CB-OG 3.23Å; C1882-S1884 WeakPolarHBondContact CB-OG 3.27Å; C1882-S1884 PolarHBondContact O-N 2.99Å; C1882-G1885 WeakPolarHBondContact O-CA 3.37Å; C1882-G1885 PolarHBondContact O-N 2.98Å; C1882-E1886 HydrophobicContact CB-CB 4.41Å; C1882-E1886 PolarHBondContact N-O 2.81Å; C1882-C1900 HydrophobicContact CB-CB 3.81Å; C1882-C1900 WeakPolarHBondContact CB-SG 3.21Å; C1882-C1900 VanDerWaalsContact SG-CA 3.58Å; C1882-C1900 WeakPolarHBondContact SG-CB 3.5Å; C1882-C1900 CovalentContact SG-SG 2.04Å; C1882-C1900 PolarHBondContact SG-SG 2.55Å | ||
| 1883 | R | 68.3 | Low | 65.1 | Low | 156 Ų | 156 | 68.7 Ų | 68.7 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18 | 171.9 | 174.8 | -168.3 | -59.8 | 161.9 | 2.9 | 112.4 | G1885 D1902 S1904 D1907 | R1883-G1885 PolarHBondContact O-N 2.87Å; R1883-D1902 WeakPolarHBondContact CB-OD2 3.4Å; R1883-D1902 WeakPolarHBondContact CG-OD2 3.31Å; R1883-S1904 VanDerWaalsContact CB-CB 3.44Å; R1883-S1904 WeakPolarHBondContact CB-OG 3.47Å; R1883-S1904 PolarHBondContact N-OG 2.79Å; R1883-D1907 IonicContact CZ-OD2 3.05Å; R1883-D1907 VanDerWaalsContact CZ-OD2 3.27Å; R1883-D1907 IonicContact NH1-OD2 3.92Å; R1883-D1907 PolarHBondContact NH1-OD2 2.87Å; R1883-D1907 IonicContact NH2-OD2 3.38Å; R1883-D1907 PolarHBondContact NH2-OD2 3Å |
| 1884 | S | 68.1 | Low | 65.6 | Low | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21 | 163 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | C1882 E1886 D1902 | C1882-S1884 VanDerWaalsContact CB-OG 3.23Å; C1882-S1884 WeakPolarHBondContact CB-OG 3.27Å; C1882-S1884 PolarHBondContact O-N 2.99Å; S1884-E1886 PolarHBondContact OG-OE2 3.42Å; S1884-D1902 PolarHBondContact N-OD1 3.29Å; S1884-D1902 PolarHBondContact N-OD2 3.36Å |
| 1885 | G | 62.9 | Low | 65.6 | Low | 38 Ų | 38 | 66.8 Ų | 66.8 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 103.2 | -8.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | C1882 R1883 | C1882-G1885 WeakPolarHBondContact O-CA 3.37Å; C1882-G1885 PolarHBondContact O-N 2.98Å; R1883-G1885 PolarHBondContact O-N 2.87Å |
| 1886 | E | 67.9 | Low | 65.5 | Low | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | trans | -76.8 | 139.6 | -177.5 | -63.8 | 166 | 119.8 | 0 | 0 | 111.9 | K1881 C1882 S1884 S1901 | K1881-E1886 CarbonylContact C-O 3.57Å; K1881-E1886 WeakPolarHBondContact CA-O 3.35Å; C1882-E1886 HydrophobicContact CB-CB 4.41Å; C1882-E1886 PolarHBondContact N-O 2.81Å; S1884-E1886 PolarHBondContact OG-OE2 3.42Å; E1886-S1901 PolarHBondContact OE1-OG 2.98Å; E1886-S1901 WeakPolarHBondContact OE2-CB 3.28Å; E1886-S1901 PolarHBondContact OE2-OG 3.33Å | ||
| 1887 | C | 71.3 | Confident | 65.7 | Low | 42 Ų | 42 | 70.5 Ų | 70.5 | 28% | 0.284 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.7 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | C1875 Q1879 A1880 | C1875-C1887 VanDerWaalsContact CA-SG 3.59Å; C1875-C1887 HydrophobicContact CB-CB 3.84Å; C1875-C1887 WeakPolarHBondContact CB-SG 3.07Å; C1875-C1887 WeakPolarHBondContact SG-CB 3.37Å; C1875-C1887 CovalentContact SG-SG 2.05Å; C1875-C1887 PolarHBondContact SG-SG 2.82Å; Q1879-C1887 HydrophobicContact CB-CB 4.24Å; Q1879-C1887 VanDerWaalsContact OE1-CB 3.25Å; A1880-C1887 CarbonylContact O-C 3.42Å; A1880-C1887 WeakPolarHBondContact O-CA 3.48Å |
| 1888 | L | 70.2 | Confident | 66.7 | Low | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 159.1 | 176.9 | -67.4 | -177.6 | 0 | 0 | 0 | 111.2 | Q1879 A1880 V1892 F1893 D1899 | Q1879-L1888 CarbonylContact C-O 3.57Å; Q1879-L1888 WeakPolarHBondContact CA-O 3.42Å; Q1879-L1888 VanDerWaalsContact CB-O 3.29Å; Q1879-L1888 WeakPolarHBondContact CB-O 3.07Å; A1880-L1888 PolarHBondContact N-O 3.28Å; A1880-L1888 PolarHBondContact O-N 3.28Å; L1888-V1892 HydrophobicContact CB-CG2 4.1Å; L1888-F1893 HydrophobicContact CB-CE2 4.2Å; L1888-D1899 HydrophobicContact CD1-CB 4.31Å; L1888-D1899 WeakPolarHBondContact CD1-O 3.25Å |
| 1889 | P | 68 | Low | 67.8 | Low | 69 Ų | 69 | 72 Ų | 72 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 140.2 | 177.3 | -24.8 | 35.2 | 0 | 0 | 0 | 112.6 | A1891 V1892 | P1889-A1891 PolarHBondContact O-N 3.44Å; P1889-V1892 WeakPolarHBondContact O-CG2 3.41Å; P1889-V1892 PolarHBondContact O-N 2.72Å |
| 1890 | R | 63.8 | Low | 67.8 | Low | 124 Ų | 124 | 69.3 Ų | 69.3 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10 | -174.5 | -137.6 | 173.9 | 175.4 | 119.4 | -18.5 | 114.7 | S1848 G1878 A1880 | S1848-R1890 PolarHBondContact O-NH2 2.98Å; S1848-R1890 VanDerWaalsContact O-NH2 3.1Å; G1878-R1890 PolarHBondContact O-N 2.58Å; A1880-R1890 HydrophobicContact CB-CG 4Å |
| 1891 | A | 65.4 | Low | 68.2 | Low | 84 Ų | 84 | 72.7 Ų | 72.7 | 69% | 0.694 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1889 | P1889-A1891 PolarHBondContact O-N 3.44Š|
| 1892 | V | 70.9 | Confident | 68 | Low | 33 Ų | 33 | 70.8 Ų | 70.8 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -107.6 | 44.6 | 175.3 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | L1888 P1889 D1899 | L1888-V1892 HydrophobicContact CB-CG2 4.1Å; P1889-V1892 WeakPolarHBondContact O-CG2 3.41Å; P1889-V1892 PolarHBondContact O-N 2.72Å; V1892-D1899 HydrophobicContact CB-CB 4.16Å; V1892-D1899 WeakPolarHBondContact CG1-OD2 3.28Å; V1892-D1899 HydrophobicContact CG2-CB 4.34Å |
| 1893 | F | 72.7 | Confident | 67.7 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 23% | 0.228 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -133.7 | 130.1 | 174.1 | -79.8 | -103.3 | 0 | 0 | 0 | 108.3 | A1880 L1888 D1895 D1905 | A1880-F1893 HydrophobicContact CB-CD2 4.13Å; A1880-F1893 HydrophobicContact CB-CE1 4.49Å; A1880-F1893 HydrophobicContact CB-CE2 3.73Å; A1880-F1893 HydrophobicContact CB-CZ 3.95Å; L1888-F1893 HydrophobicContact CB-CE2 4.2Å; F1893-D1895 PolarHBondContact O-N 3.49Å; F1893-D1905 HydrophobicContact CD1-CB 3.95Å; F1893-D1905 HydrophobicContact CE1-CB 4.21Å; F1893-D1905 HydrophobicContact CG-CB 4.28Å |
| 1894 | C | 67.3 | Low | 67.8 | Low | 71 Ų | 71 | 71.2 Ų | 71.2 | 48% | 0.48 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 53.3 | 36.2 | -168.9 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | D1905 E1906 C1911 | C1894-D1905 PolarHBondContact N-O 2.74Å; C1894-D1905 VanDerWaalsContact N-O 3.11Å; C1894-E1906 VanDerWaalsContact C-OE1 3.23Å; C1894-E1906 WeakPolarHBondContact CA-OE1 3.43Å; C1894-E1906 PolarHBondContact N-OE1 2.76Å; C1894-C1911 HydrophobicContact CB-CB 4.11Å; C1894-C1911 WeakPolarHBondContact CB-SG 3.48Å; C1894-C1911 WeakPolarHBondContact SG-CB 3.23Å; C1894-C1911 CovalentContact SG-SG 2.05Å; C1894-C1911 PolarHBondContact SG-SG 3.17Å |
| 1895 | D | 59.8 | Low | 67.6 | Low | 73 Ų | 73 | 68.8 Ų | 68.8 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -97.9 | -11.3 | -179.7 | 125.2 | -56.5 | 0 | 0 | 0 | 113 | F1893 K1897 E1906 | F1893-D1895 PolarHBondContact O-N 3.49Å; D1895-K1897 VanDerWaalsContact OD1-CB 3.3Å; D1895-K1897 WeakPolarHBondContact OD1-CB 3.26Å; D1895-K1897 PolarHBondContact OD1-N 2.67Å; D1895-K1897 IonicContact OD1-NZ 2.61Å; D1895-K1897 PolarHBondContact OD1-NZ 2.68Å; D1895-K1897 IonicContact OD2-NZ 2.63Å; D1895-K1897 PolarHBondContact OD2-NZ 3.11Å; D1895-E1906 PolarHBondContact N-OE1 3.42Å |
| 1896 | G | 59.9 | Low | 67.7 | Low | 59 Ų | 59 | 69.2 Ų | 69.2 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 96 | 4.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1906 | G1896-E1906 WeakPolarHBondContact CA-OE2 3.42Å; G1896-E1906 PolarHBondContact N-OE1 2.8Å; G1896-E1906 PolarHBondContact N-OE2 2.8Å |
| 1897 | K | 56.4 | Low | 67.2 | Low | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -122.4 | 152.4 | 174.3 | -63.6 | -177 | -96.4 | 63 | 0 | 111.7 | D1895 D1899 E1906 | D1895-K1897 VanDerWaalsContact OD1-CB 3.3Å; D1895-K1897 WeakPolarHBondContact OD1-CB 3.26Å; D1895-K1897 PolarHBondContact OD1-N 2.67Å; D1895-K1897 IonicContact OD1-NZ 2.61Å; D1895-K1897 PolarHBondContact OD1-NZ 2.68Å; D1895-K1897 IonicContact OD2-NZ 2.63Å; D1895-K1897 PolarHBondContact OD2-NZ 3.11Å; K1897-D1899 IonicContact NZ-OD2 2.71Å; K1897-D1899 PolarHBondContact O-N 3.16Å; K1897-E1906 WeakPolarHBondContact O-CG 3.22Å |
| 1898 | Y | 74 | Confident | 66.2 | Low | 145 Ų | 145 | 69.3 Ų | 69.3 | 57% | 0.569 | 38% | 0.381 | S | S | * | . | trans | -92.7 | 90.6 | 173.2 | -56.1 | -54.4 | 0 | 0 | 0 | 109.8 | R1903 D1905 E1906 | Y1898-R1903 HydrophobicContact CD1-CB 3.64Å; Y1898-R1903 HydrophobicContact CD1-CG 3.89Å; Y1898-R1903 HydrophobicContact CD2-CG 4.5Å; Y1898-R1903 HydrophobicContact CE1-CB 4.06Å; Y1898-R1903 HydrophobicContact CE1-CG 4.48Å; Y1898-R1903 HydrophobicContact CG-CB 4.19Å; Y1898-R1903 HydrophobicContact CG-CG 3.9Å; Y1898-D1905 WeakPolarHBondContact CA-OD2 3.35Å; Y1898-E1906 HydrophobicContact CD1-CB 3.79Å; Y1898-E1906 HydrophobicContact CD1-CG 3.83Å; Y1898-E1906 HydrophobicContact CE1-CB 3.6Å; Y1898-E1906 HydrophobicContact CE1-CG 4Å | ||
| 1899 | D | 73.8 | Confident | 65.1 | Low | 78 Ų | 78 | 77.7 Ų | 77.7 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | trans | -96.1 | -23.5 | 175.2 | -73.5 | -48.7 | 0 | 0 | 0 | 111.7 | L1888 V1892 K1897 D1905 | L1888-D1899 HydrophobicContact CD1-CB 4.31Å; L1888-D1899 WeakPolarHBondContact CD1-O 3.25Å; V1892-D1899 HydrophobicContact CB-CB 4.16Å; V1892-D1899 WeakPolarHBondContact CG1-OD2 3.28Å; V1892-D1899 HydrophobicContact CG2-CB 4.34Å; K1897-D1899 IonicContact NZ-OD2 2.71Å; K1897-D1899 PolarHBondContact O-N 3.16Å; D1899-D1905 PolarHBondContact N-OD2 2.7Å | ||
| 1900 | C | 72.8 | Confident | 64.1 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.034 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -76.7 | 134.6 | 168.8 | -76.4 | 0 | 0 | 0 | 0 | 112.5 | C1882 D1902 R1903 D1905 | C1882-C1900 HydrophobicContact CB-CB 3.81Å; C1882-C1900 WeakPolarHBondContact CB-SG 3.21Å; C1882-C1900 VanDerWaalsContact SG-CA 3.58Å; C1882-C1900 WeakPolarHBondContact SG-CB 3.5Å; C1882-C1900 CovalentContact SG-SG 2.04Å; C1882-C1900 PolarHBondContact SG-SG 2.55Å; C1900-D1902 PolarHBondContact O-N 3.44Å; C1900-R1903 PolarHBondContact O-N 3.17Å; C1900-D1905 HydrophobicContact CB-CB 4.12Å; C1900-D1905 PolarHBondContact N-OD2 3.43Å |
| 1901 | S | 70.4 | Confident | 63.5 | Low | 92 Ų | 92 | 74.6 Ų | 74.6 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.4 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 115.2 | E1886 | E1886-S1901 PolarHBondContact OE1-OG 2.98Å; E1886-S1901 WeakPolarHBondContact OE2-CB 3.28Å; E1886-S1901 PolarHBondContact OE2-OG 3.33Å |
| 1902 | D | 70.7 | Confident | 62.5 | Low | 63 Ų | 63 | 76.5 Ų | 76.5 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 8.2 | 178 | 78.6 | -33.1 | 0 | 0 | 0 | 114.5 | R1883 S1884 C1900 S1904 | R1883-D1902 WeakPolarHBondContact CB-OD2 3.4Å; R1883-D1902 WeakPolarHBondContact CG-OD2 3.31Å; S1884-D1902 PolarHBondContact N-OD1 3.29Å; S1884-D1902 PolarHBondContact N-OD2 3.36Å; C1900-D1902 PolarHBondContact O-N 3.44Å; D1902-S1904 VanDerWaalsContact C-N 3.29Å; D1902-S1904 PolarHBondContact O-N 2.72Å; D1902-S1904 WeakPolarHBondContact OD1-CB 3.31Å; D1902-S1904 PolarHBondContact OD1-OG 2.88Å |
| 1903 | R | 67.6 | Low | 61.5 | Low | 157 Ų | 157 | 77.6 Ų | 77.6 | 59% | 0.592 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 59.5 | 32.2 | 178.5 | -46.2 | -171.8 | -173.9 | -178.4 | 1.2 | 115 | Y1898 C1900 D1905 | Y1898-R1903 HydrophobicContact CD1-CB 3.64Å; Y1898-R1903 HydrophobicContact CD1-CG 3.89Å; Y1898-R1903 HydrophobicContact CD2-CG 4.5Å; Y1898-R1903 HydrophobicContact CE1-CB 4.06Å; Y1898-R1903 HydrophobicContact CE1-CG 4.48Å; Y1898-R1903 HydrophobicContact CG-CB 4.19Å; Y1898-R1903 HydrophobicContact CG-CG 3.9Å; C1900-R1903 PolarHBondContact O-N 3.17Å; R1903-D1905 VanDerWaalsContact CA-OD1 3.24Å; R1903-D1905 WeakPolarHBondContact CA-OD1 3.48Å |
| 1904 | S | 68.9 | Low | 60.6 | Low | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | trans | -87.9 | -10.8 | -178.7 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | R1883 D1902 E1906 | R1883-S1904 VanDerWaalsContact CB-CB 3.44Å; R1883-S1904 WeakPolarHBondContact CB-OG 3.47Å; R1883-S1904 PolarHBondContact N-OG 2.79Å; D1902-S1904 VanDerWaalsContact C-N 3.29Å; D1902-S1904 PolarHBondContact O-N 2.72Å; D1902-S1904 WeakPolarHBondContact OD1-CB 3.31Å; D1902-S1904 PolarHBondContact OD1-OG 2.88Å; S1904-E1906 VanDerWaalsContact C-N 3.32Å | ||
| 1905 | D | 65.6 | Low | 60.7 | Low | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -37.2 | 165.7 | 44 | 1 | 0 | 0 | 0 | 113.6 | F1893 C1894 Y1898 D1899 C1900 R1903 | F1893-D1905 HydrophobicContact CD1-CB 3.95Å; F1893-D1905 HydrophobicContact CE1-CB 4.21Å; F1893-D1905 HydrophobicContact CG-CB 4.28Å; C1894-D1905 PolarHBondContact N-O 2.74Å; C1894-D1905 VanDerWaalsContact N-O 3.11Å; Y1898-D1905 WeakPolarHBondContact CA-OD2 3.35Å; D1899-D1905 PolarHBondContact N-OD2 2.7Å; C1900-D1905 HydrophobicContact CB-CB 4.12Å; C1900-D1905 PolarHBondContact N-OD2 3.43Å; R1903-D1905 VanDerWaalsContact CA-OD1 3.24Å; R1903-D1905 WeakPolarHBondContact CA-OD1 3.48Å |
| 1906 | E | 64.9 | Low | 61.2 | Low | 46 Ų | 46 | 74.1 Ų | 74.1 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 22.3 | -175.7 | -67.2 | -68.5 | 130 | 0 | 0 | 112.5 | C1894 D1895 G1896 K1897 Y1898 S1904 P1908 | C1894-E1906 VanDerWaalsContact C-OE1 3.23Å; C1894-E1906 WeakPolarHBondContact CA-OE1 3.43Å; C1894-E1906 PolarHBondContact N-OE1 2.76Å; D1895-E1906 PolarHBondContact N-OE1 3.42Å; G1896-E1906 WeakPolarHBondContact CA-OE2 3.42Å; G1896-E1906 PolarHBondContact N-OE1 2.8Å; G1896-E1906 PolarHBondContact N-OE2 2.8Å; K1897-E1906 WeakPolarHBondContact O-CG 3.22Å; Y1898-E1906 HydrophobicContact CD1-CB 3.79Å; Y1898-E1906 HydrophobicContact CD1-CG 3.83Å; Y1898-E1906 HydrophobicContact CE1-CB 3.6Å; Y1898-E1906 HydrophobicContact CE1-CG 4Å; S1904-E1906 VanDerWaalsContact C-N 3.32Å; E1906-P1908 VanDerWaalsContact O-CD 3.24Å; E1906-P1908 WeakPolarHBondContact O-CD 3.28Å |
| 1907 | D | 56.3 | Low | 62 | Low | 27 Ų | 27 | 72.1 Ų | 72.1 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | trans | -72.7 | 115.9 | 176.2 | -169.5 | -30.9 | 0 | 0 | 0 | 110.3 | R1883 R1909 S1910 C1911 | R1883-D1907 IonicContact CZ-OD2 3.05Å; R1883-D1907 VanDerWaalsContact CZ-OD2 3.27Å; R1883-D1907 IonicContact NH1-OD2 3.92Å; R1883-D1907 PolarHBondContact NH1-OD2 2.87Å; R1883-D1907 IonicContact NH2-OD2 3.38Å; R1883-D1907 PolarHBondContact NH2-OD2 3Å; D1907-R1909 PolarHBondContact O-N 2.73Å; D1907-R1909 WeakPolarHBondContact OD1-CB 3.01Å; D1907-R1909 WeakPolarHBondContact OD1-CG 3.48Å; D1907-R1909 PolarHBondContact OD1-N 2.88Å; D1907-S1910 PolarHBondContact O-N 3.48Å; D1907-C1911 PolarHBondContact O-N 3.42Å | ||
| 1908 | P | 51.4 | Low | 62.6 | Low | 112 Ų | 112 | 69.9 Ų | 69.9 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.2 | -177.1 | -23.5 | 35.6 | 0 | 0 | 0 | 114.5 | E1906 S1910 | E1906-P1908 VanDerWaalsContact O-CD 3.24Å; E1906-P1908 WeakPolarHBondContact O-CD 3.28Å; P1908-S1910 VanDerWaalsContact C-N 3.31Å |
| 1909 | R | 47.4 | Very low | 62.5 | Low | 222 Ų | 222 | 65.9 Ų | 65.9 | 84% | 0.838 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -14.6 | 173.1 | -62.7 | 176.6 | 174.6 | 179 | -0.6 | 113.5 | D1907 | D1907-R1909 PolarHBondContact O-N 2.73Å; D1907-R1909 WeakPolarHBondContact OD1-CB 3.01Å; D1907-R1909 WeakPolarHBondContact OD1-CG 3.48Å; D1907-R1909 PolarHBondContact OD1-N 2.88Å |
| 1910 | S | 46.8 | Very low | 62 | Low | 83 Ų | 83 | 66 Ų | 66 | 58% | 0.58 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -30.5 | 177 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | D1907 P1908 V1912 | D1907-S1910 PolarHBondContact O-N 3.48Å; P1908-S1910 VanDerWaalsContact C-N 3.31Å; S1910-V1912 VanDerWaalsContact C-N 3.26Å; S1910-V1912 PolarHBondContact O-N 3.27Å |
| 1911 | C | 49.6 | Very low | 61.9 | Low | 44 Ų | 44 | 69.9 Ų | 69.9 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -78.7 | 67.7 | 172.6 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | C1894 D1907 S1913 | C1894-C1911 HydrophobicContact CB-CB 4.11Å; C1894-C1911 WeakPolarHBondContact CB-SG 3.48Å; C1894-C1911 WeakPolarHBondContact SG-CB 3.23Å; C1894-C1911 CovalentContact SG-SG 2.05Å; C1894-C1911 PolarHBondContact SG-SG 3.17Å; D1907-C1911 PolarHBondContact O-N 3.42Å; C1911-S1913 PolarHBondContact O-N 3.06Å |
| 1912 | V | 45.5 | Very low | 62.4 | Low | 125 Ų | 125 | 66.4 Ų | 66.4 | 76% | 0.758 | 37% | 0.366 | S | S | * | . | trans | -70.6 | 124.6 | -174 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | S1910 | S1910-V1912 VanDerWaalsContact C-N 3.26Å; S1910-V1912 PolarHBondContact O-N 3.27Å | ||
| 1913 | S | 49.3 | Very low | 62.4 | Low | 55 Ų | 55 | 69 Ų | 69 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | trans | -140.8 | 136.8 | 168.2 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | C1911 K1994 | C1911-S1913 PolarHBondContact O-N 3.06Å; S1913-K1994 PolarHBondContact OG-NZ 3.18Å | ||
| 1914 | T | 54.5 | Low | 62.6 | Low | 47 Ų | 47 | 61.9 Ų | 61.9 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81.9 | -15.9 | -167.2 | 45.7 | 0 | 0 | 0 | 0 | 115.2 | V1937 | T1914-V1937 PolarHBondContact O-N 2.84Š|
| 1915 | I | 69.4 | Low | 62.4 | Low | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.2 | 173.2 | -57.3 | -177 | 0 | 0 | 0 | 108.1 | I1917 C1934 C1986 V1988 A1991 P1992 K1994 | I1915-I1917 HydrophobicContact CG2-CG1 4.22Å; I1915-C1934 WeakPolarHBondContact CG2-SG 2.98Å; I1915-C1986 HydrophobicContact CG2-CB 4.46Å; I1915-V1988 HydrophobicContact CD1-CB 4.18Å; I1915-V1988 HydrophobicContact CD1-CG2 4.01Å; I1915-V1988 HydrophobicContact CG1-CB 4.48Å; I1915-V1988 HydrophobicContact CG1-CG2 4.14Å; I1915-A1991 HydrophobicContact CD1-CB 4.3Å; I1915-A1991 HydrophobicContact CG1-CB 4.35Å; I1915-P1992 WeakPolarHBondContact CD1-O 3.49Å; I1915-K1994 HydrophobicContact CB-CD 4.42Å; I1915-K1994 HydrophobicContact CB-CG 4.44Å; I1915-K1994 HydrophobicContact CG2-CB 4.33Å; I1915-K1994 VanDerWaalsContact O-CD 3.3Å; I1915-K1994 WeakPolarHBondContact O-CD 3.03Å; I1915-K1994 WeakPolarHBondContact O-CE 3.07Å; I1915-K1994 PolarHBondContact O-NZ 3.26Å |
| 1916 | I | 70.3 | Confident | 62.3 | Low | 76 Ų | 76 | 68.3 Ų | 68.3 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.7 | 172.4 | -62.1 | 172.9 | 0 | 0 | 0 | 107.7 | C1934 K1935 V1937 | I1916-C1934 CarbonylContact O-C 3.58Å; I1916-C1934 WeakPolarHBondContact O-CA 2.91Å; I1916-K1935 HydrophobicContact CB-CB 4.37Å; I1916-K1935 PolarHBondContact N-O 3.05Å; I1916-K1935 PolarHBondContact O-N 2.81Å; I1916-V1937 HydrophobicContact CD1-CG2 3.63Å; I1916-V1937 HydrophobicContact CG1-CG2 3.75Å |
| 1917 | I | 76.9 | Confident | 61.9 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.9 | 169.3 | -49.1 | -179.5 | 0 | 0 | 0 | 108 | I1915 F1932 E1933 C1934 C1986 K1994 I1996 | I1915-I1917 HydrophobicContact CG2-CG1 4.22Å; I1917-F1932 HydrophobicContact CG2-CD2 4.13Å; I1917-E1933 CarbonylContact C-O 3.54Å; I1917-E1933 WeakPolarHBondContact CA-O 2.96Å; I1917-C1934 HydrophobicContact CG1-CB 4.43Å; I1917-C1986 HydrophobicContact CD1-CB 3.83Å; I1917-C1986 HydrophobicContact CG1-CB 4.37Å; I1917-K1994 HydrophobicContact CD1-CB 3.6Å; I1917-K1994 WeakPolarHBondContact CD1-O 3.15Å; I1917-K1994 HydrophobicContact CG1-CB 4.17Å; I1917-I1996 HydrophobicContact CG2-CB 4.08Å; I1917-I1996 HydrophobicContact CG2-CD1 4.24Å; I1917-I1996 HydrophobicContact CG2-CG2 4.22Å |
| 1918 | T | 68.9 | Low | 62.7 | Low | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.362 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 118.1 | -175.2 | 0.1 | 0 | 0 | 0 | 0 | 110.7 | E1933 | T1918-E1933 WeakPolarHBondContact CB-OE1 3.26Å; T1918-E1933 PolarHBondContact N-O 3.36Å; T1918-E1933 VanDerWaalsContact O-CG 3.24Å; T1918-E1933 WeakPolarHBondContact O-CG 3.17Å; T1918-E1933 PolarHBondContact O-N 2.68Å; T1918-E1933 PolarHBondContact OG1-OE1 2.81Å |
| 1919 | P | 71.2 | Confident | 63.7 | Low | 61 Ų | 61 | 72 Ų | 72 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | S | Bend | cis | -70.4 | 164.8 | -13.4 | 34.2 | -37.2 | 0 | 0 | 0 | 112.2 | I1922 I1996 | P1919-I1922 HydrophobicContact CG-CD1 4Å; P1919-I1922 HydrophobicContact CG-CG1 3.6Å; P1919-I1996 WeakPolarHBondContact O-CD1 3.34Å |
| 1920 | S | 62.8 | Low | 65.7 | Low | 81 Ų | 81 | 62.4 Ų | 62.4 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -84.1 | -8.3 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1921 | T | 71.2 | Confident | 67.5 | Low | 85 Ų | 85 | 63.1 Ų | 63.1 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 142.4 | 175.4 | -40 | 0 | 0 | 0 | 0 | 108.7 | V1997 | T1921-V1997 WeakPolarHBondContact CA-O 3.26Å; T1921-V1997 HydrophobicContact CG2-CB 4.41Å; T1921-V1997 WeakPolarHBondContact CG2-O 3.11Å |
| 1922 | I | 81.2 | Confident | 69.5 | Low | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129 | 176.8 | -64.9 | 174.9 | 0 | 0 | 0 | 108.8 | P1919 F1930 F1932 I1996 V1997 V1998 Q1999 | P1919-I1922 HydrophobicContact CG-CD1 4Å; P1919-I1922 HydrophobicContact CG-CG1 3.6Å; I1922-F1930 HydrophobicContact CD1-CB 4.3Å; I1922-F1930 HydrophobicContact CD1-CD2 3.83Å; I1922-F1930 HydrophobicContact CD1-CG 4.4Å; I1922-F1930 HydrophobicContact CG2-CB 4.06Å; I1922-F1930 HydrophobicContact CG2-CG 4.3Å; I1922-F1932 HydrophobicContact CD1-CB 4.18Å; I1922-F1932 HydrophobicContact CD1-CD1 4.38Å; I1922-I1996 HydrophobicContact CD1-CD1 4.01Å; I1922-I1996 HydrophobicContact CG1-CD1 4.17Å; I1922-V1997 PolarHBondContact N-O 2.62Å; I1922-V1998 HydrophobicContact CB-CB 4.45Å; I1922-V1998 HydrophobicContact CB-CG1 4.13Å; I1922-V1998 HydrophobicContact CB-CG2 4.16Å; I1922-V1998 HydrophobicContact CD1-CG2 4.34Å; I1922-V1998 HydrophobicContact CG2-CG1 4.05Å; I1922-V1998 CarbonylContact O-C 3.52Å; I1922-V1998 WeakPolarHBondContact O-CA 3.37Å; I1922-Q1999 PolarHBondContact O-N 3.39Å |
| 1923 | L | 71.2 | Confident | 71.3 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.4 | 164.1 | -77.5 | 157.8 | 0 | 0 | 0 | 107.2 | Q1999 | L1923-Q1999 WeakPolarHBondContact CA-O 3.43Å; L1923-Q1999 HydrophobicContact CD2-CB 3.85Å; L1923-Q1999 HydrophobicContact CD2-CG 3.96Å |
| 1924 | T | 71.5 | Confident | 73 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 160.6 | -176.3 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | E1928 F1930 V1998 Q1999 V2000 E2001 | T1924-E1928 WeakPolarHBondContact OG1-CB 3.4Å; T1924-E1928 WeakPolarHBondContact OG1-CG 3.31Å; T1924-E1928 PolarHBondContact OG1-O 3Å; T1924-F1930 HydrophobicContact CG2-CD1 3.98Å; T1924-F1930 HydrophobicContact CG2-CE1 4.33Å; T1924-V1998 HydrophobicContact CG2-CG1 4.05Å; T1924-Q1999 PolarHBondContact N-O 2.03Å; T1924-V2000 HydrophobicContact CG2-CG2 3.86Å; T1924-V2000 VanDerWaalsContact O-CA 3.3Å; T1924-V2000 WeakPolarHBondContact O-CA 3.41Å; T1924-E2001 PolarHBondContact O-N 2.88Å |
| 1925 | K | 63.8 | Low | 73.9 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | trans | -95.3 | 162.4 | 174.8 | -69.5 | 160.6 | -167.6 | 135.7 | 0 | 111.8 | H1927 E1928 | K1925-H1927 PolarHBondContact O-N 3.3Å; K1925-E1928 HydrophobicContact CB-CB 4.06Å; K1925-E1928 WeakPolarHBondContact CB-OE2 3.39Å; K1925-E1928 WeakPolarHBondContact CG-OE2 3.29Å; K1925-E1928 PolarHBondContact N-OE2 3.33Å; K1925-E1928 WeakPolarHBondContact O-CB 3.01Å; K1925-E1928 PolarHBondContact O-N 3.21Å | ||
| 1926 | P | 65 | Low | 74 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 121.4 | 167.3 | -34.7 | 40 | 0 | 0 | 0 | 112.7 | E1928 I1976 A1977 P1979 V2000 E2001 | P1926-E1928 VanDerWaalsContact C-N 3.29Å; P1926-E1928 PolarHBondContact O-N 3.36Å; P1926-I1976 WeakPolarHBondContact CA-O 3.43Å; P1926-A1977 WeakPolarHBondContact CB-O 3.12Å; P1926-P1979 HydrophobicContact CG-CG 4.3Å; P1926-V2000 HydrophobicContact CG-CG1 4.01Å; P1926-E2001 VanDerWaalsContact CD-O 3.28Å; P1926-E2001 WeakPolarHBondContact CD-O 3.21Å; P1926-E2001 WeakPolarHBondContact CG-O 3.39Å |
| 1927 | H | 55.6 | Low | 73.8 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 14.3 | -174.4 | -48.2 | -76.1 | 0 | 0 | 0 | 116.9 | K1925 S1974 I1976 A1977 R2039 | K1925-H1927 PolarHBondContact O-N 3.3Å; H1927-S1974 WeakPolarHBondContact CA-O 3.23Å; H1927-I1976 PolarHBondContact N-O 3.2Å; H1927-A1977 WeakPolarHBondContact CE1-CB 3.13Å; H1927-R2039 PolarHBondContact CE1-NH2 3.08Å; H1927-R2039 VanDerWaalsContact CE1-NH2 3.35Å; H1927-R2039 PolarHBondContact NE2-NH2 3.48Å |
| 1928 | E | 73.6 | Confident | 72.9 | Confident | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | trans | -86.5 | 122.3 | 173.4 | -179.1 | 168.9 | -141.3 | 0 | 0 | 110 | T1924 K1925 P1926 G1975 | T1924-E1928 WeakPolarHBondContact OG1-CB 3.4Å; T1924-E1928 WeakPolarHBondContact OG1-CG 3.31Å; T1924-E1928 PolarHBondContact OG1-O 3Å; K1925-E1928 HydrophobicContact CB-CB 4.06Å; K1925-E1928 WeakPolarHBondContact CB-OE2 3.39Å; K1925-E1928 WeakPolarHBondContact CG-OE2 3.29Å; K1925-E1928 PolarHBondContact N-OE2 3.33Å; K1925-E1928 WeakPolarHBondContact O-CB 3.01Å; K1925-E1928 PolarHBondContact O-N 3.21Å; P1926-E1928 VanDerWaalsContact C-N 3.29Å; P1926-E1928 PolarHBondContact O-N 3.36Å; E1928-G1975 VanDerWaalsContact O-CA 3.27Å; E1928-G1975 WeakPolarHBondContact O-CA 3.31Å | ||
| 1929 | S | 71.8 | Confident | 72.4 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 57% | 0.573 | 34% | 0.34 | S | S | * | . | trans | -72.6 | 138.4 | -171.6 | 61 | 0 | 0 | 0 | 0 | 112.3 | A1972 E1973 | S1929-A1972 VanDerWaalsContact CA-O 3.27Å; S1929-A1972 WeakPolarHBondContact CA-O 3.05Å; S1929-A1972 WeakPolarHBondContact CB-O 3.47Å; S1929-E1973 VanDerWaalsContact CB-O 3.31Å; S1929-E1973 WeakPolarHBondContact CB-O 3.01Å | ||
| 1930 | F | 88.7 | Confident | 72 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 162 | -178.4 | 67.6 | -95.3 | 0 | 0 | 0 | 112 | I1922 T1924 F1932 F1958 A1972 I1976 F1984 V1998 | I1922-F1930 HydrophobicContact CD1-CB 4.3Å; I1922-F1930 HydrophobicContact CD1-CD2 3.83Å; I1922-F1930 HydrophobicContact CD1-CG 4.4Å; I1922-F1930 HydrophobicContact CG2-CB 4.06Å; I1922-F1930 HydrophobicContact CG2-CG 4.3Å; T1924-F1930 HydrophobicContact CG2-CD1 3.98Å; T1924-F1930 HydrophobicContact CG2-CE1 4.33Å; F1930-F1932 HydrophobicContact CE2-CD1 4.45Å; F1930-F1932 HydrophobicContact CE2-CE1 4.5Å; F1930-F1958 HydrophobicContact CE2-CE1 4.4Å; F1930-F1958 AromaticContact CZ-CE1 3.94Å; F1930-F1958 HydrophobicContact CZ-CE1 3.94Å; F1930-A1972 HydrophobicContact CD1-CB 3.77Å; F1930-A1972 HydrophobicContact CD2-CB 4.19Å; F1930-A1972 HydrophobicContact CE1-CB 3.44Å; F1930-A1972 VanDerWaalsContact CE1-CB 3.44Å; F1930-A1972 HydrophobicContact CE2-CB 3.89Å; F1930-A1972 HydrophobicContact CG-CB 4.14Å; F1930-A1972 HydrophobicContact CZ-CB 3.51Å; F1930-A1972 PolarHBondContact N-O 3.39Å; F1930-A1972 PolarHBondContact O-N 2.71Å; F1930-I1976 HydrophobicContact CE1-CD1 3.91Å; F1930-I1976 HydrophobicContact CE1-CG1 3.95Å; F1930-I1976 HydrophobicContact CZ-CD1 3.76Å; F1930-I1976 HydrophobicContact CZ-CG1 4.18Å; F1930-F1984 HydrophobicContact CZ-CZ 4.46Å; F1930-V1998 HydrophobicContact CD1-CG1 4.27Å; F1930-V1998 HydrophobicContact CD2-CG1 4.41Å; F1930-V1998 HydrophobicContact CD2-CG2 4.41Å; F1930-V1998 HydrophobicContact CE1-CG1 3.86Å; F1930-V1998 HydrophobicContact CE2-CB 4.5Å; F1930-V1998 HydrophobicContact CE2-CG1 4.03Å; F1930-V1998 HydrophobicContact CE2-CG2 3.84Å; F1930-V1998 HydrophobicContact CZ-CB 4.4Å; F1930-V1998 HydrophobicContact CZ-CG1 3.72Å; F1930-V1998 HydrophobicContact CZ-CG2 4.2Å |
| 1931 | Q | 86.3 | Confident | 72 | Confident | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.7 | 172.2 | 68.6 | 179.1 | -4.4 | 0 | 0 | 110.8 | V1970 R1971 | Q1931-V1970 CarbonylContact C-O 3.51Å; Q1931-V1970 WeakPolarHBondContact CA-O 3.32Å; Q1931-V1970 WeakPolarHBondContact CB-O 3.09Å; Q1931-R1971 HydrophobicContact CB-CB 4.39Å; Q1931-R1971 HydrophobicContact CB-CG 3.79Å |
| 1932 | F | 90.4 | Very high | 72.1 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.4 | 167.3 | 62.9 | -91.4 | 0 | 0 | 0 | 110.2 | I1917 I1922 F1930 I1945 I1969 V1970 F1984 I1996 | I1917-F1932 HydrophobicContact CG2-CD2 4.13Å; I1922-F1932 HydrophobicContact CD1-CB 4.18Å; I1922-F1932 HydrophobicContact CD1-CD1 4.38Å; F1930-F1932 HydrophobicContact CE2-CD1 4.45Å; F1930-F1932 HydrophobicContact CE2-CE1 4.5Å; F1932-I1945 HydrophobicContact CE2-CD1 4.35Å; F1932-I1945 HydrophobicContact CE2-CG2 4.28Å; F1932-I1945 HydrophobicContact CZ-CG2 4.29Å; F1932-I1969 WeakPolarHBondContact O-CA 3.32Å; F1932-V1970 HydrophobicContact CD1-CB 4.19Å; F1932-V1970 HydrophobicContact CD2-CB 4.37Å; F1932-V1970 HydrophobicContact CD2-CG2 4.34Å; F1932-V1970 HydrophobicContact CE1-CB 3.78Å; F1932-V1970 HydrophobicContact CE1-CG1 3.9Å; F1932-V1970 HydrophobicContact CE1-CG2 4.25Å; F1932-V1970 HydrophobicContact CE2-CB 3.98Å; F1932-V1970 HydrophobicContact CE2-CG2 3.65Å; F1932-V1970 HydrophobicContact CG-CB 4.47Å; F1932-V1970 HydrophobicContact CZ-CB 3.66Å; F1932-V1970 HydrophobicContact CZ-CG1 3.97Å; F1932-V1970 HydrophobicContact CZ-CG2 3.6Å; F1932-V1970 PolarHBondContact N-O 2.98Å; F1932-V1970 PolarHBondContact O-N 3.36Å; F1932-F1984 HydrophobicContact CE1-CB 4.41Å; F1932-F1984 HydrophobicContact CE1-CD1 4.05Å; F1932-F1984 HydrophobicContact CE1-CD2 4.06Å; F1932-F1984 HydrophobicContact CE1-CE1 4.28Å; F1932-F1984 HydrophobicContact CE1-CE2 4.31Å; F1932-F1984 AromaticContact CE1-CG 3.94Å; F1932-F1984 HydrophobicContact CE1-CG 3.94Å; F1932-F1984 HydrophobicContact CE1-CZ 4.4Å; F1932-F1984 HydrophobicContact CE2-CB 4.47Å; F1932-F1984 HydrophobicContact CZ-CB 3.76Å; F1932-F1984 AromaticContact CZ-CD1 3.76Å; F1932-F1984 HydrophobicContact CZ-CD1 3.76Å; F1932-F1984 HydrophobicContact CZ-CD2 4.25Å; F1932-F1984 HydrophobicContact CZ-CE1 4.37Å; F1932-F1984 AromaticContact CZ-CG 3.68Å; F1932-F1984 HydrophobicContact CZ-CG 3.68Å; F1932-I1996 HydrophobicContact CB-CD1 3.58Å; F1932-I1996 HydrophobicContact CD1-CD1 3.87Å; F1932-I1996 HydrophobicContact CD2-CD1 4.18Å; F1932-I1996 HydrophobicContact CD2-CG2 4.09Å; F1932-I1996 HydrophobicContact CE1-CG2 4.35Å; F1932-I1996 HydrophobicContact CE2-CG2 3.9Å; F1932-I1996 HydrophobicContact CG-CD1 3.63Å; F1932-I1996 HydrophobicContact CG-CG2 4.39Å; F1932-I1996 HydrophobicContact CZ-CG2 4.04Å |
| 1933 | E | 84.2 | Confident | 72 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.6 | 173.6 | 41.3 | 162 | -127.3 | 0 | 0 | 110.1 | I1917 T1918 K1935 H1967 V1968 I1969 | I1917-E1933 CarbonylContact C-O 3.54Å; I1917-E1933 WeakPolarHBondContact CA-O 2.96Å; T1918-E1933 WeakPolarHBondContact CB-OE1 3.26Å; T1918-E1933 PolarHBondContact N-O 3.36Å; T1918-E1933 VanDerWaalsContact O-CG 3.24Å; T1918-E1933 WeakPolarHBondContact O-CG 3.17Å; T1918-E1933 PolarHBondContact O-N 2.68Å; T1918-E1933 PolarHBondContact OG1-OE1 2.81Å; E1933-K1935 WeakPolarHBondContact OE1-CE 3.4Å; E1933-K1935 IonicContact OE1-NZ 3.96Å; E1933-K1935 PolarHBondContact OE1-NZ 2.8Å; E1933-K1935 VanDerWaalsContact OE2-CE 3.3Å; E1933-K1935 WeakPolarHBondContact OE2-CE 3.36Å; E1933-K1935 IonicContact OE2-NZ 2.66Å; E1933-K1935 PolarHBondContact OE2-NZ 3.2Å; E1933-H1967 IonicContact OE2-NE2 2.63Å; E1933-V1968 CarbonylContact C-O 3.55Å; E1933-V1968 WeakPolarHBondContact CA-O 3.22Å; E1933-I1969 HydrophobicContact CB-CG1 4.16Å |
| 1934 | C | 85.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.6 | 166.3 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | I1915 I1916 I1917 I1945 V1968 C1986 | I1915-C1934 WeakPolarHBondContact CG2-SG 2.98Å; I1916-C1934 CarbonylContact O-C 3.58Å; I1916-C1934 WeakPolarHBondContact O-CA 2.91Å; I1917-C1934 HydrophobicContact CG1-CB 4.43Å; C1934-I1945 HydrophobicContact CB-CD1 4.14Å; C1934-V1968 PolarHBondContact N-O 2.86Å; C1934-V1968 PolarHBondContact O-N 3.21Å; C1934-C1986 HydrophobicContact CB-CB 3.95Å; C1934-C1986 WeakPolarHBondContact CB-SG 3.22Å; C1934-C1986 WeakPolarHBondContact SG-CB 3.34Å; C1934-C1986 CovalentContact SG-SG 2.03Å; C1934-C1986 PolarHBondContact SG-SG 2.89Å |
| 1935 | K | 73.3 | Confident | 73.3 | Confident | 60 Ų | 60 | 55 Ų | 55 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125 | -179.5 | -71.7 | 167.2 | -177 | 160.6 | 0 | 110 | I1916 E1933 E1966 H1967 | I1916-K1935 HydrophobicContact CB-CB 4.37Å; I1916-K1935 PolarHBondContact N-O 3.05Å; I1916-K1935 PolarHBondContact O-N 2.81Å; E1933-K1935 WeakPolarHBondContact OE1-CE 3.4Å; E1933-K1935 IonicContact OE1-NZ 3.96Å; E1933-K1935 PolarHBondContact OE1-NZ 2.8Å; E1933-K1935 VanDerWaalsContact OE2-CE 3.3Å; E1933-K1935 WeakPolarHBondContact OE2-CE 3.36Å; E1933-K1935 IonicContact OE2-NZ 2.66Å; E1933-K1935 PolarHBondContact OE2-NZ 3.2Å; K1935-E1966 CarbonylContact C-O 3.49Å; K1935-E1966 WeakPolarHBondContact CA-O 3.39Å; K1935-H1967 VanDerWaalsContact CE-CD2 3.4Å; K1935-H1967 WeakPolarHBondContact CE-CD2 3.32Å; K1935-H1967 HydrophobicContact CG-CB 4.18Å; K1935-H1967 VanDerWaalsContact CG-CD2 3.48Å; K1935-H1967 WeakPolarHBondContact CG-CD2 3.4Å |
| 1936 | S | 70.5 | Confident | 74.2 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 143 | 158.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | M1938 G1941 E1966 | S1936-M1938 PolarHBondContact OG-N 3Å; S1936-M1938 PolarHBondContact OG-O 3.34Å; S1936-G1941 WeakPolarHBondContact CB-O 2.91Å; S1936-E1966 PolarHBondContact N-O 2.03Å |
| 1937 | V | 66.6 | Low | 75.1 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -99.4 | -5.1 | 165.5 | -164 | 0 | 0 | 0 | 0 | 110.6 | T1914 I1916 | T1914-V1937 PolarHBondContact O-N 2.84Å; I1916-V1937 HydrophobicContact CD1-CG2 3.63Å; I1916-V1937 HydrophobicContact CG1-CG2 3.75Å |
| 1938 | M | 57.9 | Low | 75.8 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -92.5 | 123.7 | 172 | -66.5 | -145 | -57.1 | 0 | 0 | 111.4 | S1936 G1940 G1941 | S1936-M1938 PolarHBondContact OG-N 3Å; S1936-M1938 PolarHBondContact OG-O 3.34Å; M1938-G1940 PolarHBondContact O-N 3.12Å; M1938-G1941 PolarHBondContact O-N 2.75Å; M1938-G1941 VanDerWaalsContact O-N 3.09Å |
| 1939 | P | 58.1 | Low | 75.3 | Confident | 118 Ų | 118 | 49.8 Ų | 49.8 | 77% | 0.766 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 131.6 | 174.6 | -30.6 | 37.2 | 0 | 0 | 0 | 113.4 | G1941 E1966 | P1939-G1941 PolarHBondContact O-N 2.72Å; P1939-E1966 WeakPolarHBondContact CA-OE1 3.31Å; P1939-E1966 WeakPolarHBondContact CA-OE2 3.23Å |
| 1940 | G | 62.2 | Low | 75 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -6.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | M1938 E1942 E1966 | M1938-G1940 PolarHBondContact O-N 3.12Å; G1940-E1942 PolarHBondContact O-N 3.17Å; G1940-E1966 PolarHBondContact N-OE1 2.07Å |
| 1941 | G | 63.5 | Low | 74.4 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | trans | -71.9 | 98 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1936 M1938 P1939 P1943 | S1936-G1941 WeakPolarHBondContact CB-O 2.91Å; M1938-G1941 PolarHBondContact O-N 2.75Å; M1938-G1941 VanDerWaalsContact O-N 3.09Å; P1939-G1941 PolarHBondContact O-N 2.72Å; G1941-P1943 VanDerWaalsContact O-CD 3.26Å; G1941-P1943 WeakPolarHBondContact O-CD 3.15Å | ||
| 1942 | E | 73.9 | Confident | 74 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -70 | 118.6 | 176.3 | -76.7 | -176.4 | -177.2 | 0 | 0 | 111.4 | G1940 R1965 | G1940-E1942 PolarHBondContact O-N 3.17Å; E1942-R1965 WeakPolarHBondContact CA-O 3.32Å; E1942-R1965 HydrophobicContact CG-CB 3.75Å; E1942-R1965 HydrophobicContact CG-CG 4.06Å; E1942-R1965 VanDerWaalsContact OE1-CD 3.27Å; E1942-R1965 WeakPolarHBondContact OE1-CD 3.15Å; E1942-R1965 VanDerWaalsContact OE1-CG 3.27Å; E1942-R1965 WeakPolarHBondContact OE1-CG 3.46Å; E1942-R1965 IonicContact OE1-CZ 3.89Å; E1942-R1965 IonicContact OE1-NE 2.66Å; E1942-R1965 PolarHBondContact OE1-NE 2.77Å; E1942-R1965 IonicContact OE1-NH2 3.11Å | ||
| 1943 | P | 78.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -71.8 | 139.1 | 175.6 | -14.7 | 29.9 | 0 | 0 | 0 | 111.3 | G1941 R1962 R1965 E1966 V1968 T1987 V1988 | G1941-P1943 VanDerWaalsContact O-CD 3.26Å; G1941-P1943 WeakPolarHBondContact O-CD 3.15Å; P1943-R1962 PolarHBondContact O-NH1 2.94Å; P1943-R1962 PolarHBondContact O-NH2 2.75Å; P1943-R1962 VanDerWaalsContact O-NH2 3.1Å; P1943-R1965 WeakPolarHBondContact CD-O 3.29Å; P1943-E1966 WeakPolarHBondContact CG-O 3.23Å; P1943-V1968 HydrophobicContact CB-CG2 3.82Å; P1943-V1968 HydrophobicContact CG-CG2 3.89Å; P1943-T1987 CarbonylContact C-O 3.51Å; P1943-T1987 WeakPolarHBondContact CA-O 3.35Å; P1943-V1988 HydrophobicContact CB-CG2 4.1Å; P1943-V1988 HydrophobicContact CG-CG2 4.2Å | ||
| 1944 | Q | 83.6 | Confident | 72.4 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.5 | 170.9 | -66.1 | -60.8 | -20.3 | 0 | 0 | 108.5 | C1986 T1987 | Q1944-C1986 WeakPolarHBondContact O-CA 3.32Å; Q1944-T1987 PolarHBondContact N-O 3.05Å; Q1944-T1987 PolarHBondContact O-N 3.4Å; Q1944-T1987 PolarHBondContact O-OG1 2.86Å |
| 1945 | I | 86.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.8 | -173.4 | -49.6 | -179 | 0 | 0 | 0 | 109.8 | F1932 C1934 V1952 V1968 V1970 F1984 T1985 | F1932-I1945 HydrophobicContact CE2-CD1 4.35Å; F1932-I1945 HydrophobicContact CE2-CG2 4.28Å; F1932-I1945 HydrophobicContact CZ-CG2 4.29Å; C1934-I1945 HydrophobicContact CB-CD1 4.14Å; I1945-V1952 HydrophobicContact CB-CG2 4.38Å; I1945-V1952 HydrophobicContact CG2-CG2 3.85Å; I1945-V1952 PolarHBondContact O-N 2.88Å; I1945-V1968 HydrophobicContact CD1-CB 3.9Å; I1945-V1968 HydrophobicContact CD1-CG1 3.66Å; I1945-V1970 HydrophobicContact CD1-CG2 3.48Å; I1945-V1970 VanDerWaalsContact CD1-CG2 3.48Å; I1945-V1970 HydrophobicContact CG2-CG2 4.29Å; I1945-F1984 HydrophobicContact CG2-CB 4.44Å; I1945-T1985 WeakPolarHBondContact CA-O 3.29Å |
| 1946 | T | 83.9 | Confident | 71.6 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.1 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | S1950 F1984 T1985 | T1946-S1950 CarbonylContact C-O 3.51Å; T1946-S1950 WeakPolarHBondContact CA-O 3.43Å; T1946-S1950 WeakPolarHBondContact CB-O 3.22Å; T1946-F1984 CarbonylContact O-C 3.56Å; T1946-F1984 WeakPolarHBondContact O-CA 3.28Å; T1946-T1985 PolarHBondContact N-O 2.74Å; T1946-T1985 PolarHBondContact O-N 2.03Å; T1946-T1985 PolarHBondContact OG1-O 2.65Å |
| 1947 | L | 83.5 | Confident | 71.4 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.6 | 166.2 | 169.5 | 58.7 | 0 | 0 | 0 | 107.2 | G1949 S1950 V1952 F1958 Y1982 F1984 | L1947-G1949 PolarHBondContact O-N 2.76Å; L1947-S1950 PolarHBondContact N-O 3.05Å; L1947-S1950 PolarHBondContact O-N 3.37Å; L1947-V1952 HydrophobicContact CB-CG2 3.95Å; L1947-F1958 HydrophobicContact CD2-CE2 3.8Å; L1947-F1958 HydrophobicContact CD2-CZ 4.02Å; L1947-Y1982 HydrophobicContact CD1-CD1 4.33Å; L1947-F1984 HydrophobicContact CB-CD1 3.8Å; L1947-F1984 HydrophobicContact CB-CE1 3.87Å; L1947-F1984 HydrophobicContact CD1-CD1 4.04Å; L1947-F1984 HydrophobicContact CD1-CD2 4.14Å; L1947-F1984 HydrophobicContact CD1-CE1 3.91Å; L1947-F1984 HydrophobicContact CD1-CE2 3.98Å; L1947-F1984 HydrophobicContact CD1-CG 4.16Å; L1947-F1984 HydrophobicContact CD1-CZ 3.87Å; L1947-F1984 HydrophobicContact CD2-CE1 3.97Å; L1947-F1984 HydrophobicContact CD2-CZ 4.14Å; L1947-F1984 HydrophobicContact CG-CD1 4.38Å; L1947-F1984 HydrophobicContact CG-CE1 4.13Å; L1947-F1984 HydrophobicContact CG-CZ 4.45Å |
| 1948 | E | 69.1 | Low | 72.1 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 31.8 | -177 | -49.4 | -74.4 | 121 | 0 | 0 | 112.9 | S1983 | E1948-S1983 PolarHBondContact N-O 2.75Å; E1948-S1983 WeakPolarHBondContact OE1-CA 3.49Å; E1948-S1983 WeakPolarHBondContact OE1-CB 3.22Å; E1948-S1983 PolarHBondContact OE1-N 2.89Å; E1948-S1983 PolarHBondContact OE1-OG 3.36Å |
| 1949 | G | 63.5 | Low | 73 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -15 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L1947 | L1947-G1949 PolarHBondContact O-N 2.76Š|
| 1950 | S | 66.9 | Low | 74.1 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135 | 177.6 | -66 | 0 | 0 | 0 | 0 | 112.3 | T1946 L1947 V1952 | T1946-S1950 CarbonylContact C-O 3.51Å; T1946-S1950 WeakPolarHBondContact CA-O 3.43Å; T1946-S1950 WeakPolarHBondContact CB-O 3.22Å; L1947-S1950 PolarHBondContact N-O 3.05Å; L1947-S1950 PolarHBondContact O-N 3.37Å; S1950-V1952 PolarHBondContact O-N 2.62Å |
| 1951 | P | 76.1 | Confident | 74.9 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 124.8 | 179.3 | -24.3 | 34.2 | 0 | 0 | 0 | 113.1 | E1953 N1954 | P1951-E1953 PolarHBondContact O-N 3.12Å; P1951-N1954 PolarHBondContact O-N 3.21Å |
| 1952 | V | 77.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -65 | -25.7 | -176.6 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | I1945 L1947 S1950 N1954 D1955 F1958 I1960 V1970 F1984 | I1945-V1952 HydrophobicContact CB-CG2 4.38Å; I1945-V1952 HydrophobicContact CG2-CG2 3.85Å; I1945-V1952 PolarHBondContact O-N 2.88Å; L1947-V1952 HydrophobicContact CB-CG2 3.95Å; S1950-V1952 PolarHBondContact O-N 2.62Å; V1952-N1954 PolarHBondContact O-N 3.22Å; V1952-N1954 VanDerWaalsContact O-N 3.1Å; V1952-D1955 PolarHBondContact O-N 2.91Å; V1952-F1958 HydrophobicContact CG1-CB 3.63Å; V1952-F1958 HydrophobicContact CG1-CD2 3.78Å; V1952-F1958 HydrophobicContact CG1-CG 3.72Å; V1952-I1960 HydrophobicContact CB-CD1 3.88Å; V1952-I1960 HydrophobicContact CG1-CD1 3.76Å; V1952-I1960 HydrophobicContact CG1-CG1 4.47Å; V1952-V1970 HydrophobicContact CG1-CG1 3.89Å; V1952-F1984 HydrophobicContact CG2-CD1 3.77Å; V1952-F1984 HydrophobicContact CG2-CE1 4.13Å |
| 1953 | E | 72.2 | Confident | 75.6 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -62.2 | -15.4 | 178.5 | -64.2 | 176.6 | 151 | 0 | 0 | 113.5 | P1951 I1960 R1962 | P1951-E1953 PolarHBondContact O-N 3.12Å; E1953-I1960 HydrophobicContact CB-CD1 4.39Å; E1953-I1960 HydrophobicContact CG-CD1 3.46Å; E1953-I1960 VanDerWaalsContact CG-CD1 3.46Å; E1953-I1960 HydrophobicContact CG-CG2 4.47Å; E1953-R1962 IonicContact OE1-CZ 2.99Å; E1953-R1962 IonicContact OE1-NE 3.32Å; E1953-R1962 PolarHBondContact OE1-NE 3.11Å; E1953-R1962 IonicContact OE1-NH2 3.22Å; E1953-R1962 PolarHBondContact OE1-NH2 3.19Å |
| 1954 | N | 69.4 | Low | 75.3 | Confident | 137 Ų | 137 | 64.5 Ų | 64.5 | 73% | 0.733 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -101.3 | -6.5 | 176.6 | -62.8 | -38.2 | 0 | 0 | 0 | 114 | P1951 V1952 | P1951-N1954 PolarHBondContact O-N 3.21Å; V1952-N1954 PolarHBondContact O-N 3.22Å; V1952-N1954 VanDerWaalsContact O-N 3.1Å |
| 1955 | D | 70.7 | Confident | 74.8 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | trans | -98.3 | 111.6 | -175.4 | -177.7 | -28.2 | 0 | 0 | 0 | 110.5 | V1952 R1957 F1958 | V1952-D1955 PolarHBondContact O-N 2.91Å; D1955-R1957 PolarHBondContact O-N 3.24Å; D1955-R1957 VanDerWaalsContact OD1-CB 3.25Å; D1955-R1957 WeakPolarHBondContact OD1-CB 3.44Å; D1955-R1957 VanDerWaalsContact OD1-CG 3.28Å; D1955-R1957 WeakPolarHBondContact OD1-CG 3.47Å; D1955-R1957 IonicContact OD1-CZ 3.31Å; D1955-R1957 PolarHBondContact OD1-N 3.19Å; D1955-R1957 IonicContact OD1-NE 3.94Å; D1955-R1957 PolarHBondContact OD1-NE 2.79Å; D1955-R1957 IonicContact OD2-CZ 3.78Å; D1955-R1957 VanDerWaalsContact OD2-CZ 3.31Å; D1955-R1957 IonicContact OD2-NE 2.7Å; D1955-R1957 PolarHBondContact OD2-NE 2.83Å; D1955-R1957 VanDerWaalsContact OD2-NE 3.12Å; D1955-R1957 IonicContact OD2-NH2 3.91Å; D1955-R1957 PolarHBondContact OD2-NH2 2.87Å; D1955-F1958 HydrophobicContact CB-CD2 3.85Å; D1955-F1958 HydrophobicContact CB-CE2 4.24Å; D1955-F1958 PolarHBondContact O-N 2.68Å; D1955-F1958 WeakPolarHBondContact OD2-CE2 3.39Å | ||
| 1956 | P | 70.4 | Confident | 74.1 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 84% | 0.844 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -3.6 | -171.7 | 29.6 | -36.7 | 0 | 0 | 0 | 114.3 | F1958 | P1956-F1958 PolarHBondContact O-N 2.64Š|
| 1957 | R | 66.1 | Low | 74.1 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.4 | 169.7 | -60.1 | 177.7 | -68.7 | 179.6 | 1.1 | 112.2 | D1955 | D1955-R1957 PolarHBondContact O-N 3.24Å; D1955-R1957 VanDerWaalsContact OD1-CB 3.25Å; D1955-R1957 WeakPolarHBondContact OD1-CB 3.44Å; D1955-R1957 VanDerWaalsContact OD1-CG 3.28Å; D1955-R1957 WeakPolarHBondContact OD1-CG 3.47Å; D1955-R1957 IonicContact OD1-CZ 3.31Å; D1955-R1957 PolarHBondContact OD1-N 3.19Å; D1955-R1957 IonicContact OD1-NE 3.94Å; D1955-R1957 PolarHBondContact OD1-NE 2.79Å; D1955-R1957 IonicContact OD2-CZ 3.78Å; D1955-R1957 VanDerWaalsContact OD2-CZ 3.31Å; D1955-R1957 IonicContact OD2-NE 2.7Å; D1955-R1957 PolarHBondContact OD2-NE 2.83Å; D1955-R1957 VanDerWaalsContact OD2-NE 3.12Å; D1955-R1957 IonicContact OD2-NH2 3.91Å; D1955-R1957 PolarHBondContact OD2-NH2 2.87Å |
| 1958 | F | 81.9 | Confident | 74.3 | Confident | 14 Ų | 14 | 71.8 Ų | 71.8 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | trans | -123.5 | 132.6 | -173 | -51.4 | -78.8 | 0 | 0 | 0 | 113 | F1930 L1947 V1952 D1955 P1956 V1970 R1971 A1972 I1976 F1984 | F1930-F1958 HydrophobicContact CE2-CE1 4.4Å; F1930-F1958 AromaticContact CZ-CE1 3.94Å; F1930-F1958 HydrophobicContact CZ-CE1 3.94Å; L1947-F1958 HydrophobicContact CD2-CE2 3.8Å; L1947-F1958 HydrophobicContact CD2-CZ 4.02Å; V1952-F1958 HydrophobicContact CG1-CB 3.63Å; V1952-F1958 HydrophobicContact CG1-CD2 3.78Å; V1952-F1958 HydrophobicContact CG1-CG 3.72Å; D1955-F1958 HydrophobicContact CB-CD2 3.85Å; D1955-F1958 HydrophobicContact CB-CE2 4.24Å; D1955-F1958 PolarHBondContact O-N 2.68Å; D1955-F1958 WeakPolarHBondContact OD2-CE2 3.39Å; P1956-F1958 PolarHBondContact O-N 2.64Å; F1958-V1970 HydrophobicContact CB-CG1 4.06Å; F1958-V1970 HydrophobicContact CD1-CG1 3.93Å; F1958-V1970 HydrophobicContact CG-CG1 4.22Å; F1958-R1971 CarbonylContact C-O 3.57Å; F1958-R1971 VanDerWaalsContact CA-O 3.22Å; F1958-R1971 WeakPolarHBondContact CA-O 3Å; F1958-A1972 HydrophobicContact CD1-CB 3.85Å; F1958-A1972 HydrophobicContact CE1-CB 3.82Å; F1958-I1976 HydrophobicContact CE1-CD1 4.35Å; F1958-I1976 HydrophobicContact CZ-CD1 4.05Å; F1958-I1976 HydrophobicContact CZ-CG1 4.31Å; F1958-F1984 HydrophobicContact CD1-CE1 4.36Å; F1958-F1984 HydrophobicContact CD1-CZ 4.47Å; F1958-F1984 AromaticContact CE1-CE1 3.81Å; F1958-F1984 HydrophobicContact CE1-CE1 3.81Å; F1958-F1984 AromaticContact CE1-CZ 3.57Å; F1958-F1984 HydrophobicContact CE1-CZ 3.57Å; F1958-F1984 HydrophobicContact CE2-CE1 4.16Å; F1958-F1984 HydrophobicContact CE2-CZ 4.37Å; F1958-F1984 AromaticContact CZ-CE1 3.71Å; F1958-F1984 HydrophobicContact CZ-CE1 3.71Å; F1958-F1984 AromaticContact CZ-CZ 3.51Å; F1958-F1984 HydrophobicContact CZ-CZ 3.51Å | ||
| 1959 | T | 77.3 | Confident | 75.1 | Confident | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.6 | 164.8 | 47 | 0 | 0 | 0 | 0 | 109.8 | R1971 E1973 | T1959-R1971 PolarHBondContact N-O 2.03Å; T1959-R1971 PolarHBondContact O-N 2.91Å; T1959-R1971 WeakPolarHBondContact OG1-CB 3.17Å; T1959-E1973 PolarHBondContact OG1-OE1 3.5Å; T1959-E1973 VanDerWaalsContact OG1-OE1 3.14Å |
| 1960 | I | 81.3 | Confident | 76.2 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.7 | 177.7 | -79.8 | 173.7 | 0 | 0 | 0 | 110.7 | V1952 E1953 R1962 V1968 I1969 V1970 | V1952-I1960 HydrophobicContact CB-CD1 3.88Å; V1952-I1960 HydrophobicContact CG1-CD1 3.76Å; V1952-I1960 HydrophobicContact CG1-CG1 4.47Å; E1953-I1960 HydrophobicContact CB-CD1 4.39Å; E1953-I1960 HydrophobicContact CG-CD1 3.46Å; E1953-I1960 VanDerWaalsContact CG-CD1 3.46Å; E1953-I1960 HydrophobicContact CG-CG2 4.47Å; I1960-R1962 HydrophobicContact CG2-CG 4.32Å; I1960-V1968 HydrophobicContact CG2-CG1 3.79Å; I1960-I1969 WeakPolarHBondContact CA-O 3.41Å; I1960-V1970 HydrophobicContact CD1-CG2 4.27Å; I1960-V1970 HydrophobicContact CG1-CG1 4.49Å; I1960-V1970 HydrophobicContact CG1-CG2 4.07Å |
| 1961 | I | 78.7 | Confident | 77.1 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.9 | 177.5 | -55.5 | 173 | 0 | 0 | 0 | 106.8 | P1963 I1969 | I1961-P1963 HydrophobicContact CG2-CG 4.31Å; I1961-P1963 WeakPolarHBondContact O-CD 2.95Å; I1961-I1969 HydrophobicContact CB-CB 4.39Å; I1961-I1969 PolarHBondContact N-O 2.9Å; I1961-I1969 PolarHBondContact O-N 3.39Å |
| 1962 | R | 81.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 90.4 | 175.6 | -64.8 | -173.1 | 174.3 | -106.4 | 2.3 | 110.6 | P1943 E1953 I1960 S1964 H1967 V1968 | P1943-R1962 PolarHBondContact O-NH1 2.94Å; P1943-R1962 PolarHBondContact O-NH2 2.75Å; P1943-R1962 VanDerWaalsContact O-NH2 3.1Å; E1953-R1962 IonicContact OE1-CZ 2.99Å; E1953-R1962 IonicContact OE1-NE 3.32Å; E1953-R1962 PolarHBondContact OE1-NE 3.11Å; E1953-R1962 IonicContact OE1-NH2 3.22Å; E1953-R1962 PolarHBondContact OE1-NH2 3.19Å; I1960-R1962 HydrophobicContact CG2-CG 4.32Å; R1962-S1964 PolarHBondContact O-N 3.23Å; R1962-H1967 CarbonylContact C-O 3.45Å; R1962-H1967 WeakPolarHBondContact CA-O 3Å; R1962-V1968 HydrophobicContact CG-CG1 4.18Å; R1962-V1968 HydrophobicContact CG-CG2 4.14Å; R1962-V1968 VanDerWaalsContact NH1-CG2 3.31Å |
| 1963 | P | 69.3 | Low | 77.4 | Confident | 69 Ų | 69 | 67 Ų | 67 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -20.4 | 179.7 | -24 | 35.9 | 0 | 0 | 0 | 114.6 | I1961 H1967 I1969 | I1961-P1963 HydrophobicContact CG2-CG 4.31Å; I1961-P1963 WeakPolarHBondContact O-CD 2.95Å; P1963-H1967 WeakPolarHBondContact CB-CE1 3.18Å; P1963-H1967 WeakPolarHBondContact CD-O 3.39Å; P1963-I1969 HydrophobicContact CG-CD1 3.76Å; P1963-I1969 HydrophobicContact CG-CG1 4.05Å |
| 1964 | S | 73.4 | Confident | 77.3 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 175.2 | 166.5 | 70.7 | 0 | 0 | 0 | 0 | 108.9 | R1962 E1966 H1967 | R1962-S1964 PolarHBondContact O-N 3.23Å; S1964-E1966 VanDerWaalsContact C-N 3.28Å; S1964-E1966 PolarHBondContact O-N 2.58Å; S1964-E1966 PolarHBondContact OG-N 2.96Å; S1964-H1967 PolarHBondContact O-N 3.45Å; S1964-H1967 WeakPolarHBondContact OG-CB 3.02Å; S1964-H1967 PolarHBondContact OG-N 2.74Å |
| 1965 | R | 71.6 | Confident | 77.6 | Confident | 172 Ų | 172 | 60.4 Ų | 60.4 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -47.6 | 171.8 | -77.8 | -167.4 | 146.8 | 146.4 | 1.2 | 111.9 | E1942 P1943 H1967 | E1942-R1965 WeakPolarHBondContact CA-O 3.32Å; E1942-R1965 HydrophobicContact CG-CB 3.75Å; E1942-R1965 HydrophobicContact CG-CG 4.06Å; E1942-R1965 VanDerWaalsContact OE1-CD 3.27Å; E1942-R1965 WeakPolarHBondContact OE1-CD 3.15Å; E1942-R1965 VanDerWaalsContact OE1-CG 3.27Å; E1942-R1965 WeakPolarHBondContact OE1-CG 3.46Å; E1942-R1965 IonicContact OE1-CZ 3.89Å; E1942-R1965 IonicContact OE1-NE 2.66Å; E1942-R1965 PolarHBondContact OE1-NE 2.77Å; E1942-R1965 IonicContact OE1-NH2 3.11Å; P1943-R1965 WeakPolarHBondContact CD-O 3.29Å; R1965-H1967 VanDerWaalsContact C-N 3.27Å; R1965-H1967 PolarHBondContact O-N 3.19Å |
| 1966 | E | 72.6 | Confident | 77.8 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.9 | -176 | -71.8 | 156.9 | -118.2 | 0 | 0 | 114.5 | K1935 S1936 P1939 G1940 P1943 S1964 | K1935-E1966 CarbonylContact C-O 3.49Å; K1935-E1966 WeakPolarHBondContact CA-O 3.39Å; S1936-E1966 PolarHBondContact N-O 2.03Å; P1939-E1966 WeakPolarHBondContact CA-OE1 3.31Å; P1939-E1966 WeakPolarHBondContact CA-OE2 3.23Å; G1940-E1966 PolarHBondContact N-OE1 2.07Å; P1943-E1966 WeakPolarHBondContact CG-O 3.23Å; S1964-E1966 VanDerWaalsContact C-N 3.28Å; S1964-E1966 PolarHBondContact O-N 2.58Å; S1964-E1966 PolarHBondContact OG-N 2.96Å |
| 1967 | H | 82.4 | Confident | 77.2 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.3 | -171.5 | -179 | -162.5 | 0 | 0 | 0 | 111.3 | E1933 K1935 R1962 P1963 S1964 R1965 | E1933-H1967 IonicContact OE2-NE2 2.63Å; K1935-H1967 VanDerWaalsContact CE-CD2 3.4Å; K1935-H1967 WeakPolarHBondContact CE-CD2 3.32Å; K1935-H1967 HydrophobicContact CG-CB 4.18Å; K1935-H1967 VanDerWaalsContact CG-CD2 3.48Å; K1935-H1967 WeakPolarHBondContact CG-CD2 3.4Å; R1962-H1967 CarbonylContact C-O 3.45Å; R1962-H1967 WeakPolarHBondContact CA-O 3Å; P1963-H1967 WeakPolarHBondContact CB-CE1 3.18Å; P1963-H1967 WeakPolarHBondContact CD-O 3.39Å; S1964-H1967 PolarHBondContact O-N 3.45Å; S1964-H1967 WeakPolarHBondContact OG-CB 3.02Å; S1964-H1967 PolarHBondContact OG-N 2.74Å; R1965-H1967 VanDerWaalsContact C-N 3.27Å; R1965-H1967 PolarHBondContact O-N 3.19Å |
| 1968 | V | 87.4 | Confident | 77 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.7 | 177.5 | -169.3 | 0 | 0 | 0 | 0 | 109.2 | E1933 C1934 P1943 I1945 I1960 R1962 | E1933-V1968 CarbonylContact C-O 3.55Å; E1933-V1968 WeakPolarHBondContact CA-O 3.22Å; C1934-V1968 PolarHBondContact N-O 2.86Å; C1934-V1968 PolarHBondContact O-N 3.21Å; P1943-V1968 HydrophobicContact CB-CG2 3.82Å; P1943-V1968 HydrophobicContact CG-CG2 3.89Å; I1945-V1968 HydrophobicContact CD1-CB 3.9Å; I1945-V1968 HydrophobicContact CD1-CG1 3.66Å; I1960-V1968 HydrophobicContact CG2-CG1 3.79Å; R1962-V1968 HydrophobicContact CG-CG1 4.18Å; R1962-V1968 HydrophobicContact CG-CG2 4.14Å; R1962-V1968 VanDerWaalsContact NH1-CG2 3.31Å |
| 1969 | I | 86.4 | Confident | 75.7 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.2 | 173.4 | -48.2 | -177.6 | 0 | 0 | 0 | 107.9 | F1932 E1933 I1960 I1961 P1963 R1971 | F1932-I1969 WeakPolarHBondContact O-CA 3.32Å; E1933-I1969 HydrophobicContact CB-CG1 4.16Å; I1960-I1969 WeakPolarHBondContact CA-O 3.41Å; I1961-I1969 HydrophobicContact CB-CB 4.39Å; I1961-I1969 PolarHBondContact N-O 2.9Å; I1961-I1969 PolarHBondContact O-N 3.39Å; P1963-I1969 HydrophobicContact CG-CD1 3.76Å; P1963-I1969 HydrophobicContact CG-CG1 4.05Å; I1969-R1971 HydrophobicContact CG2-CG 4.39Å |
| 1970 | V | 86.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.5 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | Q1931 F1932 I1945 V1952 F1958 I1960 | Q1931-V1970 CarbonylContact C-O 3.51Å; Q1931-V1970 WeakPolarHBondContact CA-O 3.32Å; Q1931-V1970 WeakPolarHBondContact CB-O 3.09Å; F1932-V1970 HydrophobicContact CD1-CB 4.19Å; F1932-V1970 HydrophobicContact CD2-CB 4.37Å; F1932-V1970 HydrophobicContact CD2-CG2 4.34Å; F1932-V1970 HydrophobicContact CE1-CB 3.78Å; F1932-V1970 HydrophobicContact CE1-CG1 3.9Å; F1932-V1970 HydrophobicContact CE1-CG2 4.25Å; F1932-V1970 HydrophobicContact CE2-CB 3.98Å; F1932-V1970 HydrophobicContact CE2-CG2 3.65Å; F1932-V1970 HydrophobicContact CG-CB 4.47Å; F1932-V1970 HydrophobicContact CZ-CB 3.66Å; F1932-V1970 HydrophobicContact CZ-CG1 3.97Å; F1932-V1970 HydrophobicContact CZ-CG2 3.6Å; F1932-V1970 PolarHBondContact N-O 2.98Å; F1932-V1970 PolarHBondContact O-N 3.36Å; I1945-V1970 HydrophobicContact CD1-CG2 3.48Å; I1945-V1970 VanDerWaalsContact CD1-CG2 3.48Å; I1945-V1970 HydrophobicContact CG2-CG2 4.29Å; V1952-V1970 HydrophobicContact CG1-CG1 3.89Å; F1958-V1970 HydrophobicContact CB-CG1 4.06Å; F1958-V1970 HydrophobicContact CD1-CG1 3.93Å; F1958-V1970 HydrophobicContact CG-CG1 4.22Å; I1960-V1970 HydrophobicContact CD1-CG2 4.27Å; I1960-V1970 HydrophobicContact CG1-CG1 4.49Å; I1960-V1970 HydrophobicContact CG1-CG2 4.07Å |
| 1971 | R | 87.2 | Confident | 75.2 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 32% | 0.317 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.3 | 175.5 | -63.8 | -174 | 163 | 163.4 | 2.9 | 111.2 | Q1931 F1958 T1959 I1969 E1973 | Q1931-R1971 HydrophobicContact CB-CB 4.39Å; Q1931-R1971 HydrophobicContact CB-CG 3.79Å; F1958-R1971 CarbonylContact C-O 3.57Å; F1958-R1971 VanDerWaalsContact CA-O 3.22Å; F1958-R1971 WeakPolarHBondContact CA-O 3Å; T1959-R1971 PolarHBondContact N-O 2.03Å; T1959-R1971 PolarHBondContact O-N 2.91Å; T1959-R1971 WeakPolarHBondContact OG1-CB 3.17Å; I1969-R1971 HydrophobicContact CG2-CG 4.39Å; R1971-E1973 HydrophobicContact CB-CG 4Å |
| 1972 | A | 83.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 83.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S1929 F1930 F1958 S1974 G1975 | S1929-A1972 VanDerWaalsContact CA-O 3.27Å; S1929-A1972 WeakPolarHBondContact CA-O 3.05Å; S1929-A1972 WeakPolarHBondContact CB-O 3.47Å; F1930-A1972 HydrophobicContact CD1-CB 3.77Å; F1930-A1972 HydrophobicContact CD2-CB 4.19Å; F1930-A1972 HydrophobicContact CE1-CB 3.44Å; F1930-A1972 VanDerWaalsContact CE1-CB 3.44Å; F1930-A1972 HydrophobicContact CE2-CB 3.89Å; F1930-A1972 HydrophobicContact CG-CB 4.14Å; F1930-A1972 HydrophobicContact CZ-CB 3.51Å; F1930-A1972 PolarHBondContact N-O 3.39Å; F1930-A1972 PolarHBondContact O-N 2.71Å; F1958-A1972 HydrophobicContact CD1-CB 3.85Å; F1958-A1972 HydrophobicContact CE1-CB 3.82Å; A1972-S1974 PolarHBondContact O-N 2.84Å; A1972-G1975 PolarHBondContact O-N 3.24Å |
| 1973 | E | 75.5 | Confident | 75.4 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.2 | -172.3 | -65.8 | -172.3 | -179.5 | 0 | 0 | 113.3 | S1929 T1959 R1971 | S1929-E1973 VanDerWaalsContact CB-O 3.31Å; S1929-E1973 WeakPolarHBondContact CB-O 3.01Å; T1959-E1973 PolarHBondContact OG1-OE1 3.5Å; T1959-E1973 VanDerWaalsContact OG1-OE1 3.14Å; R1971-E1973 HydrophobicContact CB-CG 4Å |
| 1974 | S | 70.9 | Confident | 76.1 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.4 | 171.9 | -61.5 | 0 | 0 | 0 | 0 | 114 | H1927 A1972 | H1927-S1974 WeakPolarHBondContact CA-O 3.23Å; A1972-S1974 PolarHBondContact O-N 2.84Å |
| 1975 | G | 75.3 | Confident | 76.6 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | trans | 62.9 | -168.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1928 A1972 | E1928-G1975 VanDerWaalsContact O-CA 3.27Å; E1928-G1975 WeakPolarHBondContact O-CA 3.31Å; A1972-G1975 PolarHBondContact O-N 3.24Å | ||
| 1976 | I | 74.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -109 | 138.7 | 167.4 | -66.3 | 168.1 | 0 | 0 | 0 | 107.8 | P1926 H1927 F1930 F1958 Y1982 V2000 | P1926-I1976 WeakPolarHBondContact CA-O 3.43Å; H1927-I1976 PolarHBondContact N-O 3.2Å; F1930-I1976 HydrophobicContact CE1-CD1 3.91Å; F1930-I1976 HydrophobicContact CE1-CG1 3.95Å; F1930-I1976 HydrophobicContact CZ-CD1 3.76Å; F1930-I1976 HydrophobicContact CZ-CG1 4.18Å; F1958-I1976 HydrophobicContact CE1-CD1 4.35Å; F1958-I1976 HydrophobicContact CZ-CD1 4.05Å; F1958-I1976 HydrophobicContact CZ-CG1 4.31Å; I1976-Y1982 HydrophobicContact CD1-CD1 4.37Å; I1976-Y1982 HydrophobicContact CD1-CD2 3.8Å; I1976-Y1982 HydrophobicContact CD1-CE2 4.12Å; I1976-Y1982 HydrophobicContact CD1-CG 3.94Å; I1976-Y1982 HydrophobicContact CG2-CD2 4.48Å; I1976-Y1982 HydrophobicContact CG2-CE1 4.45Å; I1976-Y1982 HydrophobicContact CG2-CE2 3.73Å; I1976-V2000 HydrophobicContact CB-CG2 4.03Å; I1976-V2000 HydrophobicContact CG2-CG2 4.2Å | ||
| 1977 | A | 58.7 | Low | 77.5 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | trans | -77.2 | -44.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1926 H1927 | P1926-A1977 WeakPolarHBondContact CB-O 3.12Å; H1927-A1977 WeakPolarHBondContact CE1-CB 3.13Å | ||
| 1978 | D | 60.2 | Low | 77 | Confident | 95 Ų | 95 | 41.1 Ų | 41.1 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -87 | 126.9 | -165.3 | -47.4 | -76.2 | 0 | 0 | 0 | 112 | G1980 Y1982 | D1978-G1980 PolarHBondContact O-N 3.3Å; D1978-Y1982 WeakPolarHBondContact CB-OH 3.24Å; D1978-Y1982 WeakPolarHBondContact O-CE2 3.06Å; D1978-Y1982 PolarHBondContact O-OH 3.12Å |
| 1979 | P | 56 | Low | 75.8 | Confident | 67 Ų | 67 | 47 Ų | 47 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | trans | -60.6 | 133 | 174.7 | -24.1 | 34.8 | 0 | 0 | 0 | 112.5 | P1926 V2000 | P1926-P1979 HydrophobicContact CG-CG 4.3Å; P1979-V2000 WeakPolarHBondContact CA-O 3.43Å | ||
| 1980 | G | 70.6 | Confident | 74.1 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 179.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1978 Q1999 V2000 | D1978-G1980 PolarHBondContact O-N 3.3Å; G1980-Q1999 CarbonylContact O-C 3.29Å; G1980-Q1999 WeakPolarHBondContact O-CA 3.39Å; G1980-V2000 PolarHBondContact N-O 2.69Å; G1980-V2000 VanDerWaalsContact N-O 3.11Å; G1980-V2000 PolarHBondContact O-N 3.5Å |
| 1981 | K | 76.7 | Confident | 72.6 | Confident | 143 Ų | 143 | 52.2 Ų | 52.2 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.9 | 166.5 | -77.2 | -180 | 171.5 | -179.7 | 0 | 107.9 | V1997 Q1999 | K1981-V1997 HydrophobicContact CB-CG1 4.2Å; K1981-V1997 HydrophobicContact CD-CG1 4.37Å; K1981-V1997 HydrophobicContact CG-CG1 4.17Å; K1981-Q1999 HydrophobicContact CG-CB 4.13Å; K1981-Q1999 HydrophobicContact CG-CG 3.97Å |
| 1982 | Y | 82.3 | Confident | 71.1 | Confident | 37 Ų | 37 | 53 Ų | 53 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119 | 179.5 | -62 | -82.5 | 0 | 0 | 0 | 108.6 | L1947 I1976 D1978 V1998 V2000 | L1947-Y1982 HydrophobicContact CD1-CD1 4.33Å; I1976-Y1982 HydrophobicContact CD1-CD1 4.37Å; I1976-Y1982 HydrophobicContact CD1-CD2 3.8Å; I1976-Y1982 HydrophobicContact CD1-CE2 4.12Å; I1976-Y1982 HydrophobicContact CD1-CG 3.94Å; I1976-Y1982 HydrophobicContact CG2-CD2 4.48Å; I1976-Y1982 HydrophobicContact CG2-CE1 4.45Å; I1976-Y1982 HydrophobicContact CG2-CE2 3.73Å; D1978-Y1982 WeakPolarHBondContact CB-OH 3.24Å; D1978-Y1982 WeakPolarHBondContact O-CE2 3.06Å; D1978-Y1982 PolarHBondContact O-OH 3.12Å; Y1982-V1998 PolarHBondContact N-O 2.74Å; Y1982-V1998 PolarHBondContact O-N 3.22Å; Y1982-V2000 HydrophobicContact CD2-CG2 3.88Å; Y1982-V2000 HydrophobicContact CE2-CB 4.28Å; Y1982-V2000 HydrophobicContact CE2-CG2 3.64Å |
| 1983 | S | 81.4 | Confident | 70.4 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110 | 179.3 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | E1948 | E1948-S1983 PolarHBondContact N-O 2.75Å; E1948-S1983 WeakPolarHBondContact OE1-CA 3.49Å; E1948-S1983 WeakPolarHBondContact OE1-CB 3.22Å; E1948-S1983 PolarHBondContact OE1-N 2.89Å; E1948-S1983 PolarHBondContact OE1-OG 3.36Å |
| 1984 | F | 85.7 | Confident | 70.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.6 | 170.5 | -55.3 | -105.5 | 0 | 0 | 0 | 108.9 | F1930 F1932 I1945 T1946 L1947 V1952 F1958 T1995 I1996 V1998 | F1930-F1984 HydrophobicContact CZ-CZ 4.46Å; F1932-F1984 HydrophobicContact CE1-CB 4.41Å; F1932-F1984 HydrophobicContact CE1-CD1 4.05Å; F1932-F1984 HydrophobicContact CE1-CD2 4.06Å; F1932-F1984 HydrophobicContact CE1-CE1 4.28Å; F1932-F1984 HydrophobicContact CE1-CE2 4.31Å; F1932-F1984 AromaticContact CE1-CG 3.94Å; F1932-F1984 HydrophobicContact CE1-CG 3.94Å; F1932-F1984 HydrophobicContact CE1-CZ 4.4Å; F1932-F1984 HydrophobicContact CE2-CB 4.47Å; F1932-F1984 HydrophobicContact CZ-CB 3.76Å; F1932-F1984 AromaticContact CZ-CD1 3.76Å; F1932-F1984 HydrophobicContact CZ-CD1 3.76Å; F1932-F1984 HydrophobicContact CZ-CD2 4.25Å; F1932-F1984 HydrophobicContact CZ-CE1 4.37Å; F1932-F1984 AromaticContact CZ-CG 3.68Å; F1932-F1984 HydrophobicContact CZ-CG 3.68Å; I1945-F1984 HydrophobicContact CG2-CB 4.44Å; T1946-F1984 CarbonylContact O-C 3.56Å; T1946-F1984 WeakPolarHBondContact O-CA 3.28Å; L1947-F1984 HydrophobicContact CB-CD1 3.8Å; L1947-F1984 HydrophobicContact CB-CE1 3.87Å; L1947-F1984 HydrophobicContact CD1-CD1 4.04Å; L1947-F1984 HydrophobicContact CD1-CD2 4.14Å; L1947-F1984 HydrophobicContact CD1-CE1 3.91Å; L1947-F1984 HydrophobicContact CD1-CE2 3.98Å; L1947-F1984 HydrophobicContact CD1-CG 4.16Å; L1947-F1984 HydrophobicContact CD1-CZ 3.87Å; L1947-F1984 HydrophobicContact CD2-CE1 3.97Å; L1947-F1984 HydrophobicContact CD2-CZ 4.14Å; L1947-F1984 HydrophobicContact CG-CD1 4.38Å; L1947-F1984 HydrophobicContact CG-CE1 4.13Å; L1947-F1984 HydrophobicContact CG-CZ 4.45Å; V1952-F1984 HydrophobicContact CG2-CD1 3.77Å; V1952-F1984 HydrophobicContact CG2-CE1 4.13Å; F1958-F1984 HydrophobicContact CD1-CE1 4.36Å; F1958-F1984 HydrophobicContact CD1-CZ 4.47Å; F1958-F1984 AromaticContact CE1-CE1 3.81Å; F1958-F1984 HydrophobicContact CE1-CE1 3.81Å; F1958-F1984 AromaticContact CE1-CZ 3.57Å; F1958-F1984 HydrophobicContact CE1-CZ 3.57Å; F1958-F1984 HydrophobicContact CE2-CE1 4.16Å; F1958-F1984 HydrophobicContact CE2-CZ 4.37Å; F1958-F1984 AromaticContact CZ-CE1 3.71Å; F1958-F1984 HydrophobicContact CZ-CE1 3.71Å; F1958-F1984 AromaticContact CZ-CZ 3.51Å; F1958-F1984 HydrophobicContact CZ-CZ 3.51Å; F1984-T1995 CarbonylContact O-C 3.56Å; F1984-T1995 VanDerWaalsContact O-CA 3.26Å; F1984-T1995 WeakPolarHBondContact O-CA 2.96Å; F1984-I1996 HydrophobicContact CB-CG2 3.7Å; F1984-I1996 HydrophobicContact CD2-CG2 4.47Å; F1984-I1996 HydrophobicContact CG-CG2 4.46Å; F1984-I1996 PolarHBondContact N-O 2.04Å; F1984-I1996 PolarHBondContact O-N 3.47Å; F1984-V1998 HydrophobicContact CD2-CG2 3.82Å; F1984-V1998 HydrophobicContact CE2-CB 4.03Å; F1984-V1998 HydrophobicContact CE2-CG2 3.51Å |
| 1985 | T | 84.1 | Confident | 70.6 | Confident | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.6 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | I1945 T1946 T1987 T1995 | I1945-T1985 WeakPolarHBondContact CA-O 3.29Å; T1946-T1985 PolarHBondContact N-O 2.74Å; T1946-T1985 PolarHBondContact O-N 2.03Å; T1946-T1985 PolarHBondContact OG1-O 2.65Å; T1985-T1987 HydrophobicContact CG2-CG2 4.42Å; T1985-T1995 HydrophobicContact CG2-CG2 4.12Å; T1985-T1995 WeakPolarHBondContact OG1-CG2 3.06Å |
| 1986 | C | 84.4 | Confident | 71 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.7 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 110 | I1915 I1917 C1934 Q1944 S1993 K1994 | I1915-C1986 HydrophobicContact CG2-CB 4.46Å; I1917-C1986 HydrophobicContact CD1-CB 3.83Å; I1917-C1986 HydrophobicContact CG1-CB 4.37Å; C1934-C1986 HydrophobicContact CB-CB 3.95Å; C1934-C1986 WeakPolarHBondContact CB-SG 3.22Å; C1934-C1986 WeakPolarHBondContact SG-CB 3.34Å; C1934-C1986 CovalentContact SG-SG 2.03Å; C1934-C1986 PolarHBondContact SG-SG 2.89Å; Q1944-C1986 WeakPolarHBondContact O-CA 3.32Å; C1986-S1993 WeakPolarHBondContact O-CA 3.44Å; C1986-K1994 PolarHBondContact N-O 2.81Å; C1986-K1994 PolarHBondContact O-N 2.73Å |
| 1987 | T | 77.5 | Confident | 71.2 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.5 | 177.9 | 37.7 | 0 | 0 | 0 | 0 | 110.5 | P1943 Q1944 T1985 | P1943-T1987 CarbonylContact C-O 3.51Å; P1943-T1987 WeakPolarHBondContact CA-O 3.35Å; Q1944-T1987 PolarHBondContact N-O 3.05Å; Q1944-T1987 PolarHBondContact O-N 3.4Å; Q1944-T1987 PolarHBondContact O-OG1 2.86Å; T1985-T1987 HydrophobicContact CG2-CG2 4.42Å |
| 1988 | V | 72.7 | Confident | 72.3 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | 164 | 176.1 | 0 | 0 | 0 | 0 | 105.9 | I1915 P1943 S1990 A1991 | I1915-V1988 HydrophobicContact CD1-CB 4.18Å; I1915-V1988 HydrophobicContact CD1-CG2 4.01Å; I1915-V1988 HydrophobicContact CG1-CB 4.48Å; I1915-V1988 HydrophobicContact CG1-CG2 4.14Å; P1943-V1988 HydrophobicContact CB-CG2 4.1Å; P1943-V1988 HydrophobicContact CG-CG2 4.2Å; V1988-S1990 PolarHBondContact O-N 3.31Å; V1988-A1991 HydrophobicContact CB-CB 4.12Å; V1988-A1991 PolarHBondContact O-N 3.37Å |
| 1989 | V | 61.4 | Low | 72.9 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 74% | 0.739 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133 | -177.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | A1991 | V1989-A1991 VanDerWaalsContact C-N 3.26Å; V1989-A1991 PolarHBondContact O-N 2.78Å |
| 1990 | S | 50.5 | Low | 73.5 | Confident | 114 Ų | 114 | 50.3 Ų | 50.3 | 80% | 0.797 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.3 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 116.4 | V1988 | V1988-S1990 PolarHBondContact O-N 3.31Š|
| 1991 | A | 55.4 | Low | 72.9 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | I1915 V1988 V1989 S1993 | I1915-A1991 HydrophobicContact CD1-CB 4.3Å; I1915-A1991 HydrophobicContact CG1-CB 4.35Å; V1988-A1991 HydrophobicContact CB-CB 4.12Å; V1988-A1991 PolarHBondContact O-N 3.37Å; V1989-A1991 VanDerWaalsContact C-N 3.26Å; V1989-A1991 PolarHBondContact O-N 2.78Å; A1991-S1993 PolarHBondContact O-N 2.85Å |
| 1992 | P | 55.6 | Low | 71.6 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 128.2 | 174.8 | 27.4 | -34.1 | 0 | 0 | 0 | 110.6 | I1915 | I1915-P1992 WeakPolarHBondContact CD1-O 3.49Å |
| 1993 | S | 69.1 | Low | 70.3 | Confident | 69 Ų | 69 | 54 Ų | 54 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 139.4 | -179.9 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | C1986 A1991 | C1986-S1993 WeakPolarHBondContact O-CA 3.44Å; A1991-S1993 PolarHBondContact O-N 2.85Å |
| 1994 | K | 73.8 | Confident | 69.1 | Low | 75 Ų | 75 | 53.1 Ų | 53.1 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.3 | 166.8 | -81.1 | -168 | -178.5 | 170.7 | 0 | 111 | S1913 I1915 I1917 C1986 | S1913-K1994 PolarHBondContact OG-NZ 3.18Å; I1915-K1994 HydrophobicContact CB-CD 4.42Å; I1915-K1994 HydrophobicContact CB-CG 4.44Å; I1915-K1994 HydrophobicContact CG2-CB 4.33Å; I1915-K1994 VanDerWaalsContact O-CD 3.3Å; I1915-K1994 WeakPolarHBondContact O-CD 3.03Å; I1915-K1994 WeakPolarHBondContact O-CE 3.07Å; I1915-K1994 PolarHBondContact O-NZ 3.26Å; I1917-K1994 HydrophobicContact CD1-CB 3.6Å; I1917-K1994 WeakPolarHBondContact CD1-O 3.15Å; I1917-K1994 HydrophobicContact CG1-CB 4.17Å; C1986-K1994 PolarHBondContact N-O 2.81Å; C1986-K1994 PolarHBondContact O-N 2.73Å |
| 1995 | T | 77 | Confident | 67.5 | Low | 87 Ų | 87 | 57.1 Ų | 57.1 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 146.1 | 173.8 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | F1984 T1985 | F1984-T1995 CarbonylContact O-C 3.56Å; F1984-T1995 VanDerWaalsContact O-CA 3.26Å; F1984-T1995 WeakPolarHBondContact O-CA 2.96Å; T1985-T1995 HydrophobicContact CG2-CG2 4.12Å; T1985-T1995 WeakPolarHBondContact OG1-CG2 3.06Å |
| 1996 | I | 83.5 | Confident | 65.8 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.4 | 164.4 | 175.9 | -177 | 0 | 0 | 0 | 107.8 | I1917 P1919 I1922 F1932 F1984 | I1917-I1996 HydrophobicContact CG2-CB 4.08Å; I1917-I1996 HydrophobicContact CG2-CD1 4.24Å; I1917-I1996 HydrophobicContact CG2-CG2 4.22Å; P1919-I1996 WeakPolarHBondContact O-CD1 3.34Å; I1922-I1996 HydrophobicContact CD1-CD1 4.01Å; I1922-I1996 HydrophobicContact CG1-CD1 4.17Å; F1932-I1996 HydrophobicContact CB-CD1 3.58Å; F1932-I1996 HydrophobicContact CD1-CD1 3.87Å; F1932-I1996 HydrophobicContact CD2-CD1 4.18Å; F1932-I1996 HydrophobicContact CD2-CG2 4.09Å; F1932-I1996 HydrophobicContact CE1-CG2 4.35Å; F1932-I1996 HydrophobicContact CE2-CG2 3.9Å; F1932-I1996 HydrophobicContact CG-CD1 3.63Å; F1932-I1996 HydrophobicContact CG-CG2 4.39Å; F1932-I1996 HydrophobicContact CZ-CG2 4.04Å; F1984-I1996 HydrophobicContact CB-CG2 3.7Å; F1984-I1996 HydrophobicContact CD2-CG2 4.47Å; F1984-I1996 HydrophobicContact CG-CG2 4.46Å; F1984-I1996 PolarHBondContact N-O 2.04Å; F1984-I1996 PolarHBondContact O-N 3.47Å |
| 1997 | V | 77.9 | Confident | 64 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.5 | 173.7 | -178 | 0 | 0 | 0 | 0 | 109 | T1921 I1922 K1981 | T1921-V1997 WeakPolarHBondContact CA-O 3.26Å; T1921-V1997 HydrophobicContact CG2-CB 4.41Å; T1921-V1997 WeakPolarHBondContact CG2-O 3.11Å; I1922-V1997 PolarHBondContact N-O 2.62Å; K1981-V1997 HydrophobicContact CB-CG1 4.2Å; K1981-V1997 HydrophobicContact CD-CG1 4.37Å; K1981-V1997 HydrophobicContact CG-CG1 4.17Å |
| 1998 | V | 82.5 | Confident | 63.4 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.7 | 167.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | I1922 T1924 F1930 Y1982 F1984 | I1922-V1998 HydrophobicContact CB-CB 4.45Å; I1922-V1998 HydrophobicContact CB-CG1 4.13Å; I1922-V1998 HydrophobicContact CB-CG2 4.16Å; I1922-V1998 HydrophobicContact CD1-CG2 4.34Å; I1922-V1998 HydrophobicContact CG2-CG1 4.05Å; I1922-V1998 CarbonylContact O-C 3.52Å; I1922-V1998 WeakPolarHBondContact O-CA 3.37Å; T1924-V1998 HydrophobicContact CG2-CG1 4.05Å; F1930-V1998 HydrophobicContact CD1-CG1 4.27Å; F1930-V1998 HydrophobicContact CD2-CG1 4.41Å; F1930-V1998 HydrophobicContact CD2-CG2 4.41Å; F1930-V1998 HydrophobicContact CE1-CG1 3.86Å; F1930-V1998 HydrophobicContact CE2-CB 4.5Å; F1930-V1998 HydrophobicContact CE2-CG1 4.03Å; F1930-V1998 HydrophobicContact CE2-CG2 3.84Å; F1930-V1998 HydrophobicContact CZ-CB 4.4Å; F1930-V1998 HydrophobicContact CZ-CG1 3.72Å; F1930-V1998 HydrophobicContact CZ-CG2 4.2Å; Y1982-V1998 PolarHBondContact N-O 2.74Å; Y1982-V1998 PolarHBondContact O-N 3.22Å; F1984-V1998 HydrophobicContact CD2-CG2 3.82Å; F1984-V1998 HydrophobicContact CE2-CB 4.03Å; F1984-V1998 HydrophobicContact CE2-CG2 3.51Å |
| 1999 | Q | 72.9 | Confident | 62.7 | Low | 72 Ų | 72 | 68.4 Ų | 68.4 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.4 | 179.8 | -179.5 | 172.3 | -26.7 | 0 | 0 | 110 | I1922 L1923 T1924 G1980 K1981 | I1922-Q1999 PolarHBondContact O-N 3.39Å; L1923-Q1999 WeakPolarHBondContact CA-O 3.43Å; L1923-Q1999 HydrophobicContact CD2-CB 3.85Å; L1923-Q1999 HydrophobicContact CD2-CG 3.96Å; T1924-Q1999 PolarHBondContact N-O 2.03Å; G1980-Q1999 CarbonylContact O-C 3.29Å; G1980-Q1999 WeakPolarHBondContact O-CA 3.39Å; K1981-Q1999 HydrophobicContact CG-CB 4.13Å; K1981-Q1999 HydrophobicContact CG-CG 3.97Å |
| 2000 | V | 68.9 | Low | 62.8 | Low | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.8 | 178.7 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | T1924 P1926 I1976 P1979 G1980 Y1982 | T1924-V2000 HydrophobicContact CG2-CG2 3.86Å; T1924-V2000 VanDerWaalsContact O-CA 3.3Å; T1924-V2000 WeakPolarHBondContact O-CA 3.41Å; P1926-V2000 HydrophobicContact CG-CG1 4.01Å; I1976-V2000 HydrophobicContact CB-CG2 4.03Å; I1976-V2000 HydrophobicContact CG2-CG2 4.2Å; P1979-V2000 WeakPolarHBondContact CA-O 3.43Å; G1980-V2000 PolarHBondContact N-O 2.69Å; G1980-V2000 VanDerWaalsContact N-O 3.11Å; G1980-V2000 PolarHBondContact O-N 3.5Å; Y1982-V2000 HydrophobicContact CD2-CG2 3.88Å; Y1982-V2000 HydrophobicContact CE2-CB 4.28Å; Y1982-V2000 HydrophobicContact CE2-CG2 3.64Å |
| 2001 | E | 57.2 | Low | 63.7 | Low | 90 Ų | 90 | 62.8 Ų | 62.8 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | trans | -75.1 | 134.2 | -171.9 | -64 | -169.1 | 131.4 | 0 | 0 | 114.3 | T1924 P1926 | T1924-E2001 PolarHBondContact O-N 2.88Å; P1926-E2001 VanDerWaalsContact CD-O 3.28Å; P1926-E2001 WeakPolarHBondContact CD-O 3.21Å; P1926-E2001 WeakPolarHBondContact CG-O 3.39Å | ||
| 2002 | S | 49.8 | Very low | 63.9 | Low | 91 Ų | 91 | 68.2 Ų | 68.2 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | trans | -84.2 | 114.4 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2003 | V | 54.3 | Low | 64.2 | Low | 105 Ų | 105 | 67.4 Ų | 67.4 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | trans | -104.2 | -17.4 | -177.2 | -164.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2004 | C | 57.5 | Low | 63.5 | Low | 22 Ų | 22 | 65.9 Ų | 65.9 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -99.3 | 152.7 | 163.6 | -67.7 | 0 | 0 | 0 | 0 | 109.7 | C2016 | C2004-C2016 HydrophobicContact CB-CB 3.93Å; C2004-C2016 WeakPolarHBondContact CB-SG 3.3Å; C2004-C2016 WeakPolarHBondContact SG-CB 3.32Å; C2004-C2016 CovalentContact SG-SG 2.05Å; C2004-C2016 PolarHBondContact SG-SG 3.41Å |
| 2005 | P | 50.6 | Low | 63.3 | Low | 84 Ų | 84 | 65.4 Ų | 65.4 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 157.6 | 173.9 | -21.8 | 34.1 | 0 | 0 | 0 | 113 | G2007 Y2008 | P2005-G2007 PolarHBondContact O-N 3.28Å; P2005-Y2008 HydrophobicContact CB-CD2 4.49Å; P2005-Y2008 PolarHBondContact O-N 3.44Å |
| 2006 | P | 49.1 | Very low | 62.8 | Low | 133 Ų | 133 | 63.7 Ų | 63.7 | 86% | 0.864 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.7 | 177.2 | -26.8 | 35.4 | 0 | 0 | 0 | 112.8 | ||
| 2007 | G | 46.8 | Very low | 62 | Low | 48 Ų | 48 | 64.5 Ų | 64.5 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 0.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P2005 S2019 | P2005-G2007 PolarHBondContact O-N 3.28Å; G2007-S2019 PolarHBondContact O-N 3.13Å; G2007-S2019 PolarHBondContact O-OG 3.09Å |
| 2008 | Y | 65 | Low | 61.2 | Low | 113 Ų | 113 | 65.1 Ų | 65.1 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.3 | -179.8 | -66.3 | -101 | 0 | 0 | 0 | 113.9 | P2005 C2016 I2017 L2018 S2019 | P2005-Y2008 HydrophobicContact CB-CD2 4.49Å; P2005-Y2008 PolarHBondContact O-N 3.44Å; Y2008-C2016 HydrophobicContact CD1-CB 4.4Å; Y2008-I2017 CarbonylContact C-O 3.4Å; Y2008-I2017 WeakPolarHBondContact CA-O 3.49Å; Y2008-I2017 WeakPolarHBondContact CB-O 3.41Å; Y2008-I2017 WeakPolarHBondContact CD1-O 3.4Å; Y2008-L2018 HydrophobicContact CD1-CD2 4.04Å; Y2008-L2018 HydrophobicContact CD1-CG 4.33Å; Y2008-L2018 HydrophobicContact CD2-CD2 4.38Å; Y2008-L2018 HydrophobicContact CE1-CD2 3.57Å; Y2008-L2018 HydrophobicContact CE1-CG 3.93Å; Y2008-L2018 HydrophobicContact CE2-CD2 3.96Å; Y2008-L2018 HydrophobicContact CG-CD2 4.41Å; Y2008-S2019 VanDerWaalsContact C-OG 3.29Å; Y2008-S2019 PolarHBondContact N-OG 2.84Å |
| 2009 | S | 57.1 | Low | 60.4 | Low | 35 Ų | 35 | 67.9 Ų | 67.9 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 153.8 | 175.3 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | C2016 I2017 S2019 | S2009-C2016 CarbonylContact O-C 3.53Å; S2009-C2016 VanDerWaalsContact O-CA 3.3Å; S2009-C2016 WeakPolarHBondContact O-CA 3.46Å; S2009-I2017 PolarHBondContact N-O 3.16Å; S2009-I2017 PolarHBondContact O-N 2.87Å; S2009-S2019 PolarHBondContact N-OG 2.55Å; S2009-S2019 WeakPolarHBondContact OG-CA 3.5Å; S2009-S2019 VanDerWaalsContact OG-CB 3.32Å; S2009-S2019 WeakPolarHBondContact OG-CB 3.39Å; S2009-S2019 PolarHBondContact OG-OG 2.74Å |
| 2010 | K | 64.7 | Low | 60.1 | Low | 116 Ų | 116 | 71 Ų | 71 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.7 | -167.1 | -166.6 | -170.4 | 167.9 | -173.7 | 0 | 113.8 | T2015 | K2010-T2015 CarbonylContact C-O 3.51Å; K2010-T2015 WeakPolarHBondContact CA-O 3.39Å |
| 2011 | C | 69.6 | Low | 60.1 | Low | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.02 | 42% | 0.417 | C | S | . | . | trans | -68.3 | 158.8 | 168.6 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | D2013 G2014 T2015 C2029 | C2011-D2013 VanDerWaalsContact C-N 3.3Å; C2011-D2013 WeakPolarHBondContact CB-OD1 3.16Å; C2011-D2013 PolarHBondContact O-N 2.9Å; C2011-G2014 WeakPolarHBondContact O-CA 3.22Å; C2011-G2014 PolarHBondContact O-N 3.47Å; C2011-T2015 WeakPolarHBondContact CB-O 3.19Å; C2011-T2015 WeakPolarHBondContact CB-OG1 3.21Å; C2011-T2015 PolarHBondContact N-O 2.82Å; C2011-T2015 PolarHBondContact SG-OG1 3.39Å; C2011-T2015 VanDerWaalsContact SG-OG1 3.36Å; C2011-C2029 VanDerWaalsContact CA-SG 3.56Å; C2011-C2029 HydrophobicContact CB-CB 3.81Å; C2011-C2029 WeakPolarHBondContact CB-SG 3.41Å; C2011-C2029 VanDerWaalsContact SG-CA 3.53Å; C2011-C2029 WeakPolarHBondContact SG-CB 3.15Å; C2011-C2029 CovalentContact SG-SG 2.03Å; C2011-C2029 PolarHBondContact SG-SG 2.85Å | ||
| 2012 | K | 60.2 | Low | 60.5 | Low | 132 Ų | 132 | 70.8 Ų | 70.8 | 57% | 0.574 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.3 | -177 | -155.5 | 176.5 | -170.6 | 174 | 0 | 111.9 | G2014 D2031 S2033 D2036 | K2012-G2014 VanDerWaalsContact C-N 3.27Å; K2012-G2014 PolarHBondContact O-N 2.83Å; K2012-D2031 WeakPolarHBondContact CB-OD2 3.24Å; K2012-S2033 WeakPolarHBondContact CB-OG 3.42Å; K2012-S2033 WeakPolarHBondContact CD-OG 3.42Å; K2012-D2036 IonicContact NZ-OD2 3.98Å; K2012-D2036 PolarHBondContact NZ-OD2 3.05Å |
| 2013 | D | 59.8 | Low | 61.3 | Low | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.5 | 168.1 | 83.7 | -19.2 | 0 | 0 | 0 | 114.5 | C2011 T2015 D2031 | C2011-D2013 VanDerWaalsContact C-N 3.3Å; C2011-D2013 WeakPolarHBondContact CB-OD1 3.16Å; C2011-D2013 PolarHBondContact O-N 2.9Å; D2013-T2015 WeakPolarHBondContact OD1-CB 3.5Å; D2013-T2015 PolarHBondContact OD1-N 2.9Å; D2013-T2015 PolarHBondContact OD1-OG1 3.07Å; D2013-D2031 PolarHBondContact N-OD2 2.79Å |
| 2014 | G | 56.4 | Low | 61.4 | Low | 38 Ų | 38 | 67.4 Ų | 67.4 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 102.1 | -3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | C2011 K2012 | C2011-G2014 WeakPolarHBondContact O-CA 3.22Å; C2011-G2014 PolarHBondContact O-N 3.47Å; K2012-G2014 VanDerWaalsContact C-N 3.27Å; K2012-G2014 PolarHBondContact O-N 2.83Å |
| 2015 | T | 67.9 | Low | 61.6 | Low | 64 Ų | 64 | 69.1 Ų | 69.1 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | trans | -68.9 | 155.7 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 112 | K2010 C2011 D2013 | K2010-T2015 CarbonylContact C-O 3.51Å; K2010-T2015 WeakPolarHBondContact CA-O 3.39Å; C2011-T2015 WeakPolarHBondContact CB-O 3.19Å; C2011-T2015 WeakPolarHBondContact CB-OG1 3.21Å; C2011-T2015 PolarHBondContact N-O 2.82Å; C2011-T2015 PolarHBondContact SG-OG1 3.39Å; C2011-T2015 VanDerWaalsContact SG-OG1 3.36Å; D2013-T2015 WeakPolarHBondContact OD1-CB 3.5Å; D2013-T2015 PolarHBondContact OD1-N 2.9Å; D2013-T2015 PolarHBondContact OD1-OG1 3.07Å | ||
| 2016 | C | 67.2 | Low | 61.6 | Low | 52 Ų | 52 | 70 Ų | 70 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.3 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | C2004 Y2008 S2009 | C2004-C2016 HydrophobicContact CB-CB 3.93Å; C2004-C2016 WeakPolarHBondContact CB-SG 3.3Å; C2004-C2016 WeakPolarHBondContact SG-CB 3.32Å; C2004-C2016 CovalentContact SG-SG 2.05Å; C2004-C2016 PolarHBondContact SG-SG 3.41Å; Y2008-C2016 HydrophobicContact CD1-CB 4.4Å; S2009-C2016 CarbonylContact O-C 3.53Å; S2009-C2016 VanDerWaalsContact O-CA 3.3Å; S2009-C2016 WeakPolarHBondContact O-CA 3.46Å |
| 2017 | I | 67.6 | Low | 62.3 | Low | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.092 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 166.8 | 173.7 | 60.2 | 172.3 | 0 | 0 | 0 | 110.2 | Y2008 S2009 Q2021 F2022 H2028 D2034 | Y2008-I2017 CarbonylContact C-O 3.4Å; Y2008-I2017 WeakPolarHBondContact CA-O 3.49Å; Y2008-I2017 WeakPolarHBondContact CB-O 3.41Å; Y2008-I2017 WeakPolarHBondContact CD1-O 3.4Å; S2009-I2017 PolarHBondContact N-O 3.16Å; S2009-I2017 PolarHBondContact O-N 2.87Å; I2017-Q2021 HydrophobicContact CD1-CB 4.04Å; I2017-Q2021 WeakPolarHBondContact CD1-O 3.37Å; I2017-F2022 HydrophobicContact CD1-CD2 4.31Å; I2017-H2028 HydrophobicContact CD1-CB 4.16Å; I2017-D2034 HydrophobicContact CD1-CB 4.03Å |
| 2018 | L | 60.5 | Low | 63.3 | Low | 63 Ų | 63 | 68.3 Ų | 68.3 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 142.9 | 178.9 | -68 | 162.3 | 0 | 0 | 0 | 110.3 | Y2008 H2020 Q2021 | Y2008-L2018 HydrophobicContact CD1-CD2 4.04Å; Y2008-L2018 HydrophobicContact CD1-CG 4.33Å; Y2008-L2018 HydrophobicContact CD2-CD2 4.38Å; Y2008-L2018 HydrophobicContact CE1-CD2 3.57Å; Y2008-L2018 HydrophobicContact CE1-CG 3.93Å; Y2008-L2018 HydrophobicContact CE2-CD2 3.96Å; Y2008-L2018 HydrophobicContact CG-CD2 4.41Å; L2018-H2020 PolarHBondContact O-N 3.47Å; L2018-Q2021 HydrophobicContact CB-CG 4.07Å; L2018-Q2021 VanDerWaalsContact N-OE1 3.1Å; L2018-Q2021 WeakPolarHBondContact O-CB 3.29Å; L2018-Q2021 PolarHBondContact O-N 2.7Å |
| 2019 | S | 66.3 | Low | 63.6 | Low | 59 Ų | 59 | 63.2 Ų | 63.2 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.3 | -169.8 | -62.6 | 0 | 0 | 0 | 0 | 116.3 | G2007 Y2008 S2009 | G2007-S2019 PolarHBondContact O-N 3.13Å; G2007-S2019 PolarHBondContact O-OG 3.09Å; Y2008-S2019 VanDerWaalsContact C-OG 3.29Å; Y2008-S2019 PolarHBondContact N-OG 2.84Å; S2009-S2019 PolarHBondContact N-OG 2.55Å; S2009-S2019 WeakPolarHBondContact OG-CA 3.5Å; S2009-S2019 VanDerWaalsContact OG-CB 3.32Å; S2009-S2019 WeakPolarHBondContact OG-CB 3.39Å; S2009-S2019 PolarHBondContact OG-OG 2.74Å |
| 2020 | H | 66.4 | Low | 64.2 | Low | 136 Ų | 136 | 72.8 Ų | 72.8 | 63% | 0.63 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6.2 | 171.4 | 63.8 | -103.1 | 0 | 0 | 0 | 113.8 | L2018 F2022 | L2018-H2020 PolarHBondContact O-N 3.47Å; H2020-F2022 VanDerWaalsContact C-N 3.33Å |
| 2021 | Q | 67.9 | Low | 64.2 | Low | 36 Ų | 36 | 70.8 Ų | 70.8 | 17% | 0.168 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -96.8 | 29.1 | -176.1 | -56.6 | -172.6 | -81.6 | 0 | 0 | 112.2 | I2017 L2018 H2028 | I2017-Q2021 HydrophobicContact CD1-CB 4.04Å; I2017-Q2021 WeakPolarHBondContact CD1-O 3.37Å; L2018-Q2021 HydrophobicContact CB-CG 4.07Å; L2018-Q2021 VanDerWaalsContact N-OE1 3.1Å; L2018-Q2021 WeakPolarHBondContact O-CB 3.29Å; L2018-Q2021 PolarHBondContact O-N 2.7Å; Q2021-H2028 HydrophobicContact CB-CB 4.2Å; Q2021-H2028 PolarHBondContact NE2-CE1 2.82Å; Q2021-H2028 PolarHBondContact NE2-ND1 3.45Å; Q2021-H2028 PolarHBondContact NE2-NE2 3.16Å |
| 2022 | F | 65.3 | Low | 63.8 | Low | 55 Ų | 55 | 71.9 Ų | 71.9 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -132.7 | 117.3 | -169.3 | -164.8 | -79.8 | 0 | 0 | 0 | 108.7 | I2017 H2020 D2024 D2034 | I2017-F2022 HydrophobicContact CD1-CD2 4.31Å; H2020-F2022 VanDerWaalsContact C-N 3.33Å; F2022-D2024 VanDerWaalsContact C-N 3.34Å; F2022-D2034 HydrophobicContact CD2-CB 3.75Å; F2022-D2034 HydrophobicContact CE2-CB 4.06Å; F2022-D2034 HydrophobicContact CG-CB 4.29Å |
| 2023 | C | 66.7 | Low | 64 | Low | 54 Ų | 54 | 66.1 Ų | 66.1 | 37% | 0.365 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 58.3 | 39.5 | -165.2 | -52.5 | 0 | 0 | 0 | 0 | 113.5 | D2034 E2035 C2040 | C2023-D2034 PolarHBondContact N-O 3.01Å; C2023-E2035 VanDerWaalsContact C-OE1 3.32Å; C2023-E2035 WeakPolarHBondContact CA-OE1 3.06Å; C2023-E2035 PolarHBondContact N-OE1 2.9Å; C2023-C2040 VanDerWaalsContact CA-SG 3.57Å; C2023-C2040 HydrophobicContact CB-CB 3.86Å; C2023-C2040 WeakPolarHBondContact CB-SG 3.28Å; C2023-C2040 WeakPolarHBondContact SG-CA 3.02Å; C2023-C2040 WeakPolarHBondContact SG-CB 3.42Å; C2023-C2040 CovalentContact SG-SG 2.04Å; C2023-C2040 PolarHBondContact SG-SG 3.17Å |
| 2024 | D | 57.4 | Low | 64.4 | Low | 70 Ų | 70 | 62.1 Ų | 62.1 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -97.8 | -4 | 175.7 | 78.7 | 1.4 | 0 | 0 | 0 | 113.5 | F2022 I2026 H2028 E2035 | F2022-D2024 VanDerWaalsContact C-N 3.34Å; D2024-I2026 WeakPolarHBondContact OD1-CA 3.16Å; D2024-I2026 WeakPolarHBondContact OD1-CB 3.38Å; D2024-I2026 PolarHBondContact OD1-N 3.34Å; D2024-H2028 IonicContact OD2-CD2 3.76Å; D2024-H2028 IonicContact OD2-NE2 3.84Å; D2024-E2035 PolarHBondContact N-OE1 3.46Å |
| 2025 | G | 60.8 | Low | 64.6 | Low | 58 Ų | 58 | 63.1 Ų | 63.1 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 93.6 | -0 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E2035 | G2025-E2035 VanDerWaalsContact CA-OE2 3.27Å; G2025-E2035 WeakPolarHBondContact CA-OE2 3.07Å; G2025-E2035 VanDerWaalsContact N-CD 3.33Å; G2025-E2035 PolarHBondContact N-OE1 2.91Å; G2025-E2035 PolarHBondContact N-OE2 3.34Å |
| 2026 | I | 51.8 | Low | 64 | Low | 102 Ų | 102 | 62 Ų | 62 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -125.5 | 112.6 | -177.4 | -53.5 | 179.8 | 0 | 0 | 0 | 109.4 | D2024 H2028 | D2024-I2026 WeakPolarHBondContact OD1-CA 3.16Å; D2024-I2026 WeakPolarHBondContact OD1-CB 3.38Å; D2024-I2026 PolarHBondContact OD1-N 3.34Å; I2026-H2028 PolarHBondContact O-CD2 2.82Å; I2026-H2028 PolarHBondContact O-N 3.2Å |
| 2027 | A | 63.9 | Low | 63.2 | Low | 65 Ų | 65 | 67 Ų | 67 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | trans | -63.5 | 99.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E2035 | A2027-E2035 HydrophobicContact CB-CG 4.39Š| ||
| 2028 | H | 67.9 | Low | 62.1 | Low | 81 Ų | 81 | 74 Ų | 74 | 38% | 0.375 | 39% | 0.394 | S | S | . | . | trans | -93.8 | -30 | 175.6 | -79.2 | -66 | 0 | 0 | 0 | 111.9 | I2017 Q2021 D2024 I2026 D2034 | I2017-H2028 HydrophobicContact CD1-CB 4.16Å; Q2021-H2028 HydrophobicContact CB-CB 4.2Å; Q2021-H2028 PolarHBondContact NE2-CE1 2.82Å; Q2021-H2028 PolarHBondContact NE2-ND1 3.45Å; Q2021-H2028 PolarHBondContact NE2-NE2 3.16Å; D2024-H2028 IonicContact OD2-CD2 3.76Å; D2024-H2028 IonicContact OD2-NE2 3.84Å; I2026-H2028 PolarHBondContact O-CD2 2.82Å; I2026-H2028 PolarHBondContact O-N 3.2Å; H2028-D2034 VanDerWaalsContact CA-OD2 3.28Å; H2028-D2034 WeakPolarHBondContact CA-OD2 3.25Å; H2028-D2034 WeakPolarHBondContact CB-OD2 3.42Å; H2028-D2034 PolarHBondContact N-OD2 2.91Å | ||
| 2029 | C | 70.3 | Confident | 61.5 | Low | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -68.3 | 138.9 | 167.6 | -69.8 | 0 | 0 | 0 | 0 | 110.6 | C2011 D2031 G2032 D2034 | C2011-C2029 VanDerWaalsContact CA-SG 3.56Å; C2011-C2029 HydrophobicContact CB-CB 3.81Å; C2011-C2029 WeakPolarHBondContact CB-SG 3.41Å; C2011-C2029 VanDerWaalsContact SG-CA 3.53Å; C2011-C2029 WeakPolarHBondContact SG-CB 3.15Å; C2011-C2029 CovalentContact SG-SG 2.03Å; C2011-C2029 PolarHBondContact SG-SG 2.85Å; C2029-D2031 WeakPolarHBondContact CB-OD1 3Å; C2029-D2031 PolarHBondContact O-N 3.21Å; C2029-D2031 VanDerWaalsContact O-N 3.13Å; C2029-G2032 PolarHBondContact O-N 3.38Å; C2029-D2034 HydrophobicContact CB-CB 4.23Å; C2029-D2034 WeakPolarHBondContact CB-OD1 3.47Å; C2029-D2034 PolarHBondContact N-OD2 2.89Å; C2029-D2034 VanDerWaalsContact SG-CG 3.59Å |
| 2030 | R | 69 | Low | 60.8 | Low | 236 Ų | 236 | 74.2 Ų | 74.2 | 89% | 0.891 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.6 | -173.7 | -155.3 | 179.3 | -164.9 | 169.6 | 7 | 114.4 | ||
| 2031 | D | 65.2 | Low | 59.6 | Low | 75 Ų | 75 | 73.6 Ų | 73.6 | 40% | 0.401 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -0.5 | 175.5 | 64.8 | -16 | 0 | 0 | 0 | 113.1 | K2012 D2013 C2029 S2033 | K2012-D2031 WeakPolarHBondContact CB-OD2 3.24Å; D2013-D2031 PolarHBondContact N-OD2 2.79Å; C2029-D2031 WeakPolarHBondContact CB-OD1 3Å; C2029-D2031 PolarHBondContact O-N 3.21Å; C2029-D2031 VanDerWaalsContact O-N 3.13Å; D2031-S2033 VanDerWaalsContact C-N 3.32Å; D2031-S2033 WeakPolarHBondContact OD1-CB 3.4Å; D2031-S2033 PolarHBondContact OD1-N 2.69Å; D2031-S2033 PolarHBondContact OD1-OG 3.02Å; D2031-S2033 WeakPolarHBondContact OD2-CB 3.17Å; D2031-S2033 PolarHBondContact OD2-OG 2.89Å |
| 2032 | G | 61.5 | Low | 57.9 | Low | 26 Ų | 26 | 78.9 Ų | 78.9 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 70.9 | 19.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | C2029 D2034 E2035 D2036 | C2029-G2032 PolarHBondContact O-N 3.38Å; G2032-D2034 VanDerWaalsContact C-N 3.3Å; G2032-D2034 VanDerWaalsContact C-OD1 3.27Å; G2032-D2034 PolarHBondContact O-N 2.85Å; G2032-E2035 PolarHBondContact O-N 2.79Å; G2032-D2036 PolarHBondContact O-N 2.76Å |
| 2033 | S | 65.3 | Low | 56.4 | Low | 10 Ų | 10 | 83 Ų | 83 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4.5 | -173.2 | -70.3 | 0 | 0 | 0 | 0 | 116.1 | K2012 D2031 | K2012-S2033 WeakPolarHBondContact CB-OG 3.42Å; K2012-S2033 WeakPolarHBondContact CD-OG 3.42Å; D2031-S2033 VanDerWaalsContact C-N 3.32Å; D2031-S2033 WeakPolarHBondContact OD1-CB 3.4Å; D2031-S2033 PolarHBondContact OD1-N 2.69Å; D2031-S2033 PolarHBondContact OD1-OG 3.02Å; D2031-S2033 WeakPolarHBondContact OD2-CB 3.17Å; D2031-S2033 PolarHBondContact OD2-OG 2.89Å |
| 2034 | D | 66.6 | Low | 55 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -30.2 | 165.6 | 45.6 | -6.9 | 0 | 0 | 0 | 112.8 | I2017 F2022 C2023 H2028 C2029 G2032 C2040 | I2017-D2034 HydrophobicContact CD1-CB 4.03Å; F2022-D2034 HydrophobicContact CD2-CB 3.75Å; F2022-D2034 HydrophobicContact CE2-CB 4.06Å; F2022-D2034 HydrophobicContact CG-CB 4.29Å; C2023-D2034 PolarHBondContact N-O 3.01Å; H2028-D2034 VanDerWaalsContact CA-OD2 3.28Å; H2028-D2034 WeakPolarHBondContact CA-OD2 3.25Å; H2028-D2034 WeakPolarHBondContact CB-OD2 3.42Å; H2028-D2034 PolarHBondContact N-OD2 2.91Å; C2029-D2034 HydrophobicContact CB-CB 4.23Å; C2029-D2034 WeakPolarHBondContact CB-OD1 3.47Å; C2029-D2034 PolarHBondContact N-OD2 2.89Å; C2029-D2034 VanDerWaalsContact SG-CG 3.59Å; G2032-D2034 VanDerWaalsContact C-N 3.3Å; G2032-D2034 VanDerWaalsContact C-OD1 3.27Å; G2032-D2034 PolarHBondContact O-N 2.85Å; D2034-C2040 PolarHBondContact O-SG 3.06Å |
| 2035 | E | 61.4 | Low | 54.2 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 28% | 0.28 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -102.4 | 19.8 | 175.8 | -65 | -61.4 | 133.7 | 0 | 0 | 112.3 | C2023 D2024 G2025 A2027 G2032 K2037 | C2023-E2035 VanDerWaalsContact C-OE1 3.32Å; C2023-E2035 WeakPolarHBondContact CA-OE1 3.06Å; C2023-E2035 PolarHBondContact N-OE1 2.9Å; D2024-E2035 PolarHBondContact N-OE1 3.46Å; G2025-E2035 VanDerWaalsContact CA-OE2 3.27Å; G2025-E2035 WeakPolarHBondContact CA-OE2 3.07Å; G2025-E2035 VanDerWaalsContact N-CD 3.33Å; G2025-E2035 PolarHBondContact N-OE1 2.91Å; G2025-E2035 PolarHBondContact N-OE2 3.34Å; A2027-E2035 HydrophobicContact CB-CG 4.39Å; G2032-E2035 PolarHBondContact O-N 2.79Å; E2035-K2037 PolarHBondContact O-N 3.34Å |
| 2036 | D | 54.5 | Low | 53.7 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | trans | -68.4 | 115.1 | 175.1 | -173.5 | -13.7 | 0 | 0 | 0 | 109.9 | K2012 G2032 L2038 R2039 C2040 | K2012-D2036 IonicContact NZ-OD2 3.98Å; K2012-D2036 PolarHBondContact NZ-OD2 3.05Å; G2032-D2036 PolarHBondContact O-N 2.76Å; D2036-L2038 PolarHBondContact O-N 2.76Å; D2036-L2038 PolarHBondContact OD1-N 3.1Å; D2036-R2039 HydrophobicContact CB-CB 4.46Å; D2036-R2039 WeakPolarHBondContact O-CA 3.19Å; D2036-R2039 PolarHBondContact O-N 3.19Å; D2036-C2040 PolarHBondContact O-N 2.69Å | ||
| 2037 | K | 50.1 | Low | 54.2 | Low | 158 Ų | 158 | 82.1 Ų | 82.1 | 69% | 0.687 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.6 | 179.7 | -68.8 | -165.3 | 168.7 | -152.9 | 0 | 115 | E2035 R2039 | E2035-K2037 PolarHBondContact O-N 3.34Å; K2037-R2039 VanDerWaalsContact C-N 3.34Å |
| 2038 | L | 44.5 | Very low | 54.8 | Low | 166 Ų | 166 | 85.1 Ų | 85.1 | 87% | 0.869 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.5 | 169.2 | -112.4 | 77.8 | 0 | 0 | 0 | 113.5 | D2036 | D2036-L2038 PolarHBondContact O-N 2.76Å; D2036-L2038 PolarHBondContact OD1-N 3.1Å |
| 2039 | R | 48.8 | Very low | 55.6 | Low | 101 Ų | 101 | 81.3 Ų | 81.3 | 38% | 0.381 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -36.5 | 178.4 | -73.5 | -173.2 | 160.6 | -121.9 | -14.2 | 113.1 | H1927 D2036 K2037 P2041 | H1927-R2039 PolarHBondContact CE1-NH2 3.08Å; H1927-R2039 VanDerWaalsContact CE1-NH2 3.35Å; H1927-R2039 PolarHBondContact NE2-NH2 3.48Å; D2036-R2039 HydrophobicContact CB-CB 4.46Å; D2036-R2039 WeakPolarHBondContact O-CA 3.19Å; D2036-R2039 PolarHBondContact O-N 3.19Å; K2037-R2039 VanDerWaalsContact C-N 3.34Å; R2039-P2041 WeakPolarHBondContact O-CD 3.36Å |
| 2040 | C | 51.2 | Low | 56.3 | Low | 25 Ų | 25 | 83.7 Ų | 83.7 | 17% | 0.169 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -85.9 | 107 | 171.3 | -53.1 | 0 | 0 | 0 | 0 | 108.9 | C2023 D2034 D2036 E2042 | C2023-C2040 VanDerWaalsContact CA-SG 3.57Å; C2023-C2040 HydrophobicContact CB-CB 3.86Å; C2023-C2040 WeakPolarHBondContact CB-SG 3.28Å; C2023-C2040 WeakPolarHBondContact SG-CA 3.02Å; C2023-C2040 WeakPolarHBondContact SG-CB 3.42Å; C2023-C2040 CovalentContact SG-SG 2.04Å; C2023-C2040 PolarHBondContact SG-SG 3.17Å; D2034-C2040 PolarHBondContact O-SG 3.06Å; D2036-C2040 PolarHBondContact O-N 2.69Å; C2040-E2042 PolarHBondContact O-N 3.47Å |
| 2041 | P | 42.1 | Very low | 57.3 | Low | 122 Ų | 122 | 72.8 Ų | 72.8 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | trans | -64.4 | 134.7 | -173.3 | 26 | -34.2 | 0 | 0 | 0 | 111.6 | R2039 | R2039-P2041 WeakPolarHBondContact O-CD 3.36Š| ||
| 2042 | E | 32.7 | Very low | 58.3 | Low | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | trans | -63.3 | 143.3 | 177.7 | -65.6 | -163.6 | 132.9 | 0 | 0 | 111.4 | C2040 T2044 | C2040-E2042 PolarHBondContact O-N 3.47Å; E2042-T2044 PolarHBondContact O-N 2.96Å | ||
| 2043 | V | 32 | Very low | 59.6 | Low | 142 Ų | 142 | 68.3 Ų | 68.3 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | trans | -56.3 | 107.4 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | A2045 | V2043-A2045 PolarHBondContact O-N 3.01Å; V2043-A2045 VanDerWaalsContact O-N 3.13Å | ||
| 2044 | T | 38.3 | Very low | 60.6 | Low | 103 Ų | 103 | 69.2 Ų | 69.2 | 63% | 0.632 | 37% | 0.368 | S | S | * | . | trans | -65.7 | 112.9 | 177.8 | 41.5 | 0 | 0 | 0 | 0 | 109 | E2042 D2046 | E2042-T2044 PolarHBondContact O-N 2.96Å; T2044-D2046 PolarHBondContact O-N 3.14Å | ||
| 2045 | A | 39.7 | Very low | 61.6 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | trans | -59.2 | 123.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V2043 I2047 R2072 | V2043-A2045 PolarHBondContact O-N 3.01Å; V2043-A2045 VanDerWaalsContact O-N 3.13Å; A2045-I2047 PolarHBondContact O-N 3.21Å; A2045-R2072 PolarHBondContact O-NH1 2.91Å; A2045-R2072 PolarHBondContact O-NH2 2.68Å | ||
| 2046 | D | 50.8 | Low | 62.8 | Low | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | trans | -8.2 | 98.3 | 171.6 | -158.4 | 34.3 | 0 | 0 | 0 | 115.8 | T2044 R2048 R2072 | T2044-D2046 PolarHBondContact O-N 3.14Å; D2046-R2048 IonicContact OD2-CZ 3.65Å; D2046-R2048 VanDerWaalsContact OD2-CZ 3.23Å; D2046-R2048 IonicContact OD2-NE 3.42Å; D2046-R2048 PolarHBondContact OD2-NE 3.48Å; D2046-R2048 IonicContact OD2-NH2 2.68Å; D2046-R2048 PolarHBondContact OD2-NH2 2.81Å; D2046-R2072 PolarHBondContact O-NH2 3.44Å | ||
| 2047 | I | 61.6 | Low | 64.2 | Low | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | trans | -101 | 112.8 | 171.8 | -61.3 | 158.8 | 0 | 0 | 0 | 107.1 | A2045 T2070 T2075 S2124 P2125 S2126 | A2045-I2047 PolarHBondContact O-N 3.21Å; I2047-T2070 HydrophobicContact CG2-CG2 4.24Å; I2047-T2075 HydrophobicContact CD1-CG2 3.81Å; I2047-T2075 HydrophobicContact CG1-CG2 4.29Å; I2047-T2075 HydrophobicContact CG2-CG2 3.98Å; I2047-S2124 VanDerWaalsContact O-CB 3.25Å; I2047-S2124 WeakPolarHBondContact O-CB 3.24Å; I2047-S2124 PolarHBondContact O-OG 3.05Å; I2047-P2125 HydrophobicContact CD1-CB 4.43Å; I2047-S2126 PolarHBondContact N-OG 2.96Å; I2047-S2126 PolarHBondContact O-OG 2.23Å; I2047-S2126 VanDerWaalsContact O-OG 3.06Å | ||
| 2048 | R | 76.4 | Confident | 65.6 | Low | 128 Ų | 128 | 61 Ų | 61 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | trans | -88.6 | 150.8 | -173.8 | -64.4 | -175.5 | -179.2 | -159.7 | -6.3 | 112 | D2046 T2070 D2071 E2128 | D2046-R2048 IonicContact OD2-CZ 3.65Å; D2046-R2048 VanDerWaalsContact OD2-CZ 3.23Å; D2046-R2048 IonicContact OD2-NE 3.42Å; D2046-R2048 PolarHBondContact OD2-NE 3.48Å; D2046-R2048 IonicContact OD2-NH2 2.68Å; D2046-R2048 PolarHBondContact OD2-NH2 2.81Å; R2048-T2070 CarbonylContact O-C 3.42Å; R2048-T2070 WeakPolarHBondContact O-CA 2.95Å; R2048-T2070 WeakPolarHBondContact O-CB 3.15Å; R2048-D2071 HydrophobicContact CB-CB 4.19Å; R2048-D2071 PolarHBondContact N-OD1 2.98Å; R2048-D2071 PolarHBondContact O-N 2.74Å; R2048-E2128 WeakPolarHBondContact CA-OE2 3.25Å | ||
| 2049 | V | 85.4 | Confident | 67.3 | Low | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.1 | 176.6 | 67.9 | 0 | 0 | 0 | 0 | 110.8 | C2068 T2070 C2122 E2128 K2130 | V2049-C2068 WeakPolarHBondContact CG2-SG 3.05Å; V2049-T2070 HydrophobicContact CB-CG2 4Å; V2049-T2070 HydrophobicContact CG2-CG2 4.02Å; V2049-C2122 HydrophobicContact CG2-CB 4.33Å; V2049-E2128 HydrophobicContact CG1-CB 4.1Å; V2049-E2128 HydrophobicContact CG1-CG 4.02Å; V2049-E2128 WeakPolarHBondContact CG1-O 3.38Å; V2049-E2128 PolarHBondContact N-OE2 2.98Å; V2049-K2130 HydrophobicContact CG1-CB 4.23Å; V2049-K2130 HydrophobicContact CG1-CG 3.91Å; V2049-K2130 VanDerWaalsContact O-CG 3.22Å; V2049-K2130 WeakPolarHBondContact O-CG 3.14Å |
| 2050 | H | 84.7 | Confident | 68.5 | Low | 57 Ų | 57 | 54 Ų | 54 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.8 | 172.7 | -64.8 | -84.9 | 0 | 0 | 0 | 108.3 | C2068 V2069 | H2050-C2068 CarbonylContact O-C 3.48Å; H2050-C2068 VanDerWaalsContact O-CA 3.31Å; H2050-C2068 WeakPolarHBondContact O-CA 3.15Å; H2050-V2069 PolarHBondContact N-O 2.79Å; H2050-V2069 PolarHBondContact O-N 3.28Å |
| 2051 | F | 91.2 | Very high | 69.8 | Low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 115.6 | 177.9 | -162.3 | -179 | 0 | 0 | 0 | 108.4 | L2066 E2067 C2068 L2079 I2105 I2120 C2122 K2130 | F2051-L2066 HydrophobicContact CE2-CB 3.79Å; F2051-L2066 HydrophobicContact CE2-CD1 4.09Å; F2051-L2066 HydrophobicContact CZ-CD1 4.09Å; F2051-E2067 WeakPolarHBondContact CA-O 3.04Å; F2051-E2067 WeakPolarHBondContact CD2-O 3.03Å; F2051-C2068 HydrophobicContact CD2-CB 3.95Å; F2051-C2068 HydrophobicContact CE2-CB 4.27Å; F2051-C2068 HydrophobicContact CG-CB 4.36Å; F2051-L2079 HydrophobicContact CZ-CD2 4.43Å; F2051-I2105 HydrophobicContact CE2-CD1 3.93Å; F2051-I2105 HydrophobicContact CZ-CD1 3.75Å; F2051-I2120 HydrophobicContact CE1-CB 4.16Å; F2051-I2120 HydrophobicContact CE1-CG2 3.86Å; F2051-I2120 WeakPolarHBondContact CE1-O 3.4Å; F2051-I2120 HydrophobicContact CZ-CB 4.14Å; F2051-I2120 HydrophobicContact CZ-CG2 3.68Å; F2051-C2122 HydrophobicContact CB-CB 4.37Å; F2051-C2122 HydrophobicContact CD1-CB 3.54Å; F2051-C2122 HydrophobicContact CE1-CB 3.82Å; F2051-C2122 HydrophobicContact CG-CB 3.93Å; F2051-C2122 HydrophobicContact CZ-CB 4.42Å; F2051-K2130 HydrophobicContact CB-CB 3.73Å |
| 2052 | T | 85.8 | Confident | 71.6 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.8 | -167.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | E2067 D2346 F2368 L2369 | T2052-E2067 HydrophobicContact CG2-CB 4.24Å; T2052-E2067 WeakPolarHBondContact CG2-O 3.01Å; T2052-E2067 PolarHBondContact N-O 3.44Å; T2052-E2067 PolarHBondContact O-N 2.96Å; T2052-D2346 WeakPolarHBondContact CA-OD2 3.42Å; T2052-D2346 WeakPolarHBondContact CB-OD2 3.48Å; T2052-D2346 PolarHBondContact OG1-OD2 2.03Å; T2052-F2368 HydrophobicContact CG2-CB 4.28Å; T2052-F2368 HydrophobicContact CG2-CD1 4.04Å; T2052-F2368 WeakPolarHBondContact O-CD1 3.13Å; T2052-L2369 PolarHBondContact OG1-N 2.66Å |
| 2053 | P | 88.4 | Confident | 74 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | cis | -67.5 | 143.7 | -12.7 | 29.2 | -36.1 | 0 | 0 | 0 | 113.5 | L2056 L2066 S2132 D2346 | P2053-L2056 HydrophobicContact CG-CB 4.21Å; P2053-L2056 HydrophobicContact CG-CD1 4.13Å; P2053-L2066 HydrophobicContact CG-CD2 3.74Å; P2053-S2132 WeakPolarHBondContact O-CB 3.14Å; P2053-S2132 PolarHBondContact O-OG 2.83Å; P2053-D2346 WeakPolarHBondContact CA-OD2 2.9Å; P2053-D2346 WeakPolarHBondContact CB-O 3.04Å | ||
| 2054 | G | 85.9 | Confident | 76.6 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -75.1 | -24.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S2132 T2133 | G2054-S2132 WeakPolarHBondContact O-CA 3.41Å; G2054-T2133 PolarHBondContact O-N 2.71Å |
| 2055 | E | 87.5 | Confident | 79 | Confident | 51 Ų | 51 | 40.6 Ų | 40.6 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.8 | 170.7 | -168.3 | -162.7 | 164.4 | 0 | 0 | 109.1 | R2057 T2133 F2135 N2308 R2313 | E2055-R2057 IonicContact OE1-CZ 2.81Å; E2055-R2057 IonicContact OE1-NE 2.7Å; E2055-R2057 PolarHBondContact OE1-NE 2.87Å; E2055-R2057 IonicContact OE1-NH2 3.12Å; E2055-R2057 PolarHBondContact OE1-NH2 2.05Å; E2055-T2133 WeakPolarHBondContact CA-O 3.27Å; E2055-F2135 HydrophobicContact CG-CD2 4.34Å; E2055-F2135 HydrophobicContact CG-CE2 4.02Å; E2055-N2308 PolarHBondContact O-ND2 2.69Å; E2055-R2313 IonicContact OE1-NH2 3.04Å; E2055-R2313 IonicContact OE2-CZ 2.83Å; E2055-R2313 IonicContact OE2-NH1 3.91Å; E2055-R2313 PolarHBondContact OE2-NH1 2.92Å; E2055-R2313 IonicContact OE2-NH2 3.5Å; E2055-R2313 PolarHBondContact OE2-NH2 3.45Å |
| 2056 | L | 87.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.2 | 179 | -173.1 | 63.8 | 0 | 0 | 0 | 110.1 | P2053 I2058 F2064 L2066 T2133 I2134 F2135 I2348 | P2053-L2056 HydrophobicContact CG-CB 4.21Å; P2053-L2056 HydrophobicContact CG-CD1 4.13Å; L2056-I2058 HydrophobicContact CD2-CG2 4.32Å; L2056-I2058 HydrophobicContact CG-CG2 4.14Å; L2056-F2064 HydrophobicContact CD2-CB 3.76Å; L2056-F2064 HydrophobicContact CD2-CD2 3.45Å; L2056-F2064 VanDerWaalsContact CD2-CD2 3.45Å; L2056-F2064 HydrophobicContact CD2-CE2 4.21Å; L2056-F2064 HydrophobicContact CD2-CG 3.73Å; L2056-L2066 HydrophobicContact CD2-CD2 4.04Å; L2056-T2133 PolarHBondContact N-O 2.79Å; L2056-I2134 CarbonylContact O-C 3.57Å; L2056-I2134 WeakPolarHBondContact O-CA 3.14Å; L2056-F2135 PolarHBondContact O-N 2.84Å; L2056-I2348 HydrophobicContact CD1-CD1 3.75Å; L2056-I2348 HydrophobicContact CD1-CG1 3.87Å |
| 2057 | R | 83.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.1 | 175.1 | -53.8 | -163 | 174.3 | -102.5 | -12.2 | 109.8 | E2055 F2135 E2137 N2308 R2310 | E2055-R2057 IonicContact OE1-CZ 2.81Å; E2055-R2057 IonicContact OE1-NE 2.7Å; E2055-R2057 PolarHBondContact OE1-NE 2.87Å; E2055-R2057 IonicContact OE1-NH2 3.12Å; E2055-R2057 PolarHBondContact OE1-NH2 2.05Å; R2057-F2135 WeakPolarHBondContact CA-O 3.22Å; R2057-F2135 HydrophobicContact CG-CB 4.12Å; R2057-F2135 HydrophobicContact CG-CD2 4.14Å; R2057-F2135 VanDerWaalsContact NH1-CG 3.28Å; R2057-F2135 VanDerWaalsContact NH2-CD2 3.34Å; R2057-E2137 IonicContact CZ-OE1 3.85Å; R2057-E2137 IonicContact NH1-OE1 3.55Å; R2057-E2137 PolarHBondContact NH1-OE1 3.02Å; R2057-E2137 IonicContact NH1-OE2 2.7Å; R2057-N2308 HydrophobicContact CB-CB 4.3Å; R2057-N2308 HydrophobicContact CG-CB 4.47Å; R2057-R2310 VanDerWaalsContact CD-CZ 3.47Å; R2057-R2310 VanDerWaalsContact CD-NE 3.35Å; R2057-R2310 VanDerWaalsContact NH1-NH2 3.13Å |
| 2058 | I | 80.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.7 | -173.8 | 57.9 | 177.7 | 0 | 0 | 0 | 111.6 | L2056 F2064 I2134 F2135 I2136 E2137 I2348 | L2056-I2058 HydrophobicContact CD2-CG2 4.32Å; L2056-I2058 HydrophobicContact CG-CG2 4.14Å; I2058-F2064 HydrophobicContact CD1-CD1 3.4Å; I2058-F2064 HydrophobicContact CD1-CE1 3.48Å; I2058-F2064 VanDerWaalsContact CD1-CE1 3.48Å; I2058-F2064 HydrophobicContact CD1-CG 4.27Å; I2058-F2064 HydrophobicContact CD1-CZ 4.41Å; I2058-I2134 HydrophobicContact CD1-CG2 3.98Å; I2058-I2134 HydrophobicContact CG1-CG2 4.28Å; I2058-F2135 PolarHBondContact N-O 2.01Å; I2058-I2136 HydrophobicContact CD1-CG1 4.42Å; I2058-I2136 HydrophobicContact CG1-CG1 4.18Å; I2058-I2136 WeakPolarHBondContact O-CA 3.22Å; I2058-E2137 PolarHBondContact O-N 2.76Å; I2058-I2348 HydrophobicContact CG2-CD1 3.98Å |
| 2059 | Q | 78.3 | Confident | 85.1 | Confident | 71 Ų | 71 | 27.5 Ų | 27.5 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | trans | -80.4 | 152.4 | 165.9 | -64.6 | 174.4 | -36.8 | 0 | 0 | 109.9 | G2061 R2062 | Q2059-G2061 PolarHBondContact O-N 3.39Å; Q2059-R2062 HydrophobicContact CB-CG 4.32Å; Q2059-R2062 PolarHBondContact O-N 2.7Å | ||
| 2060 | P | 75.6 | Confident | 85 | Confident | 48 Ų | 48 | 27.7 Ų | 27.7 | 31% | 0.312 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 139.8 | 174.6 | -25.8 | 33.1 | 0 | 0 | 0 | 112.8 | R2062 L2111 A2113 I2136 L2138 | P2060-R2062 PolarHBondContact O-N 3.13Å; P2060-L2111 WeakPolarHBondContact CA-O 3.35Å; P2060-A2113 HydrophobicContact CB-CB 4.38Å; P2060-A2113 HydrophobicContact CG-CB 3.84Å; P2060-I2136 HydrophobicContact CB-CG2 4.3Å; P2060-I2136 HydrophobicContact CG-CG2 3.76Å; P2060-L2138 HydrophobicContact CG-CD2 4.13Å |
| 2061 | G | 78 | Confident | 84.5 | Confident | 47 Ų | 47 | 28.4 Ų | 28.4 | 49% | 0.485 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q2059 L2111 | Q2059-G2061 PolarHBondContact O-N 3.39Å; G2061-L2111 PolarHBondContact N-O 2.91Å |
| 2062 | R | 79.4 | Confident | 83.5 | Confident | 81 Ų | 81 | 32.7 Ų | 32.7 | 31% | 0.306 | 18% | 0.177 | S | C | . | . | trans | -76 | 132.6 | 171.6 | -79.5 | -167.5 | 176.7 | -113.7 | -3.8 | 111.5 | Q2059 P2060 G2110 D2364 | Q2059-R2062 HydrophobicContact CB-CG 4.32Å; Q2059-R2062 PolarHBondContact O-N 2.7Å; P2060-R2062 PolarHBondContact O-N 3.13Å; R2062-G2110 WeakPolarHBondContact O-CA 3.31Å; R2062-D2364 IonicContact CZ-OD2 2.71Å; R2062-D2364 IonicContact NH1-OD1 2.81Å; R2062-D2364 PolarHBondContact NH1-OD1 3.42Å; R2062-D2364 IonicContact NH1-OD2 3.17Å; R2062-D2364 PolarHBondContact NH1-OD2 2.87Å | ||
| 2063 | A | 83.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 40% | 0.397 | 21% | 0.21 | S | C | . | . | trans | -69.4 | 148.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2107 P2108 | A2063-V2107 VanDerWaalsContact CA-O 3.31Å; A2063-V2107 WeakPolarHBondContact CA-O 3.27Å; A2063-P2108 WeakPolarHBondContact CB-O 3.48Å | ||
| 2064 | F | 87.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 167.4 | 175.3 | 66.5 | -83.7 | 0 | 0 | 0 | 113.5 | L2056 I2058 L2066 F2093 V2107 L2111 I2134 F2366 | L2056-F2064 HydrophobicContact CD2-CB 3.76Å; L2056-F2064 HydrophobicContact CD2-CD2 3.45Å; L2056-F2064 VanDerWaalsContact CD2-CD2 3.45Å; L2056-F2064 HydrophobicContact CD2-CE2 4.21Å; L2056-F2064 HydrophobicContact CD2-CG 3.73Å; I2058-F2064 HydrophobicContact CD1-CD1 3.4Å; I2058-F2064 HydrophobicContact CD1-CE1 3.48Å; I2058-F2064 VanDerWaalsContact CD1-CE1 3.48Å; I2058-F2064 HydrophobicContact CD1-CG 4.27Å; I2058-F2064 HydrophobicContact CD1-CZ 4.41Å; F2064-L2066 HydrophobicContact CD2-CD2 4.42Å; F2064-L2066 HydrophobicContact CD2-CG 4.35Å; F2064-L2066 HydrophobicContact CE2-CG 4.31Å; F2064-F2093 HydrophobicContact CZ-CE1 4.43Å; F2064-V2107 HydrophobicContact CD1-CB 3.99Å; F2064-V2107 HydrophobicContact CD1-CG1 4.44Å; F2064-V2107 HydrophobicContact CD2-CG2 4.48Å; F2064-V2107 HydrophobicContact CE1-CB 3.58Å; F2064-V2107 HydrophobicContact CE1-CG1 3.74Å; F2064-V2107 HydrophobicContact CE1-CG2 3.94Å; F2064-V2107 HydrophobicContact CE2-CB 4.22Å; F2064-V2107 HydrophobicContact CE2-CG2 3.8Å; F2064-V2107 HydrophobicContact CG-CB 4.48Å; F2064-V2107 HydrophobicContact CZ-CB 3.71Å; F2064-V2107 HydrophobicContact CZ-CG1 4.07Å; F2064-V2107 HydrophobicContact CZ-CG2 3.49Å; F2064-V2107 VanDerWaalsContact CZ-CG2 3.49Å; F2064-V2107 PolarHBondContact N-O 2.77Å; F2064-V2107 PolarHBondContact O-N 2.84Å; F2064-L2111 HydrophobicContact CE1-CD1 3.76Å; F2064-L2111 HydrophobicContact CE1-CG 4.07Å; F2064-L2111 HydrophobicContact CZ-CD1 3.73Å; F2064-L2111 HydrophobicContact CZ-CG 4.41Å; F2064-I2134 HydrophobicContact CE1-CG2 4.5Å; F2064-I2134 HydrophobicContact CE2-CD1 3.63Å; F2064-I2134 HydrophobicContact CE2-CG1 3.96Å; F2064-I2134 HydrophobicContact CE2-CG2 4.46Å; F2064-I2134 HydrophobicContact CZ-CD1 3.72Å; F2064-I2134 HydrophobicContact CZ-CG1 4.23Å; F2064-I2134 HydrophobicContact CZ-CG2 4.12Å; F2064-F2366 HydrophobicContact CB-CE1 4.15Å |
| 2065 | R | 87.6 | Confident | 80.6 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141 | 178.7 | 171.4 | 172.4 | -74 | 162.7 | -0.9 | 111 | E2067 I2104 I2105 D2106 F2368 | R2065-E2067 HydrophobicContact CG-CG 4.39Å; R2065-I2104 HydrophobicContact CG-CG2 3.76Å; R2065-I2105 CarbonylContact C-O 3.07Å; R2065-I2105 WeakPolarHBondContact CA-O 3.27Å; R2065-D2106 WeakPolarHBondContact CB-OD1 3.12Å; R2065-D2106 WeakPolarHBondContact CG-OD1 3.29Å; R2065-D2106 IonicContact CZ-OD1 2.91Å; R2065-D2106 VanDerWaalsContact CZ-OD1 3.29Å; R2065-D2106 IonicContact CZ-OD2 2.8Å; R2065-D2106 IonicContact NE-OD1 2.98Å; R2065-D2106 PolarHBondContact NE-OD1 3.04Å; R2065-D2106 IonicContact NE-OD2 3.66Å; R2065-D2106 VanDerWaalsContact NH2-CG 3.32Å; R2065-D2106 IonicContact NH2-OD1 2.63Å; R2065-D2106 PolarHBondContact NH2-OD1 3.19Å; R2065-D2106 VanDerWaalsContact NH2-OD1 3.11Å; R2065-D2106 IonicContact NH2-OD2 3.3Å; R2065-D2106 PolarHBondContact NH2-OD2 3.39Å; R2065-F2368 HydrophobicContact CB-CZ 4Å; R2065-F2368 HydrophobicContact CG-CE1 4.24Å; R2065-F2368 HydrophobicContact CG-CZ 3.71Å |
| 2066 | L | 91.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.3 | 164.5 | -50.2 | 175.5 | 0 | 0 | 0 | 109.9 | F2051 P2053 L2056 F2064 I2104 I2105 I2120 S2132 I2134 | F2051-L2066 HydrophobicContact CE2-CB 3.79Å; F2051-L2066 HydrophobicContact CE2-CD1 4.09Å; F2051-L2066 HydrophobicContact CZ-CD1 4.09Å; P2053-L2066 HydrophobicContact CG-CD2 3.74Å; L2056-L2066 HydrophobicContact CD2-CD2 4.04Å; F2064-L2066 HydrophobicContact CD2-CD2 4.42Å; F2064-L2066 HydrophobicContact CD2-CG 4.35Å; F2064-L2066 HydrophobicContact CE2-CG 4.31Å; L2066-I2104 WeakPolarHBondContact O-CA 3.35Å; L2066-I2105 HydrophobicContact CB-CB 4.35Å; L2066-I2105 HydrophobicContact CB-CD1 4.31Å; L2066-I2105 HydrophobicContact CD1-CD1 4.34Å; L2066-I2105 PolarHBondContact N-O 2.95Å; L2066-I2105 PolarHBondContact O-N 2.89Å; L2066-I2120 HydrophobicContact CD1-CD1 4.04Å; L2066-S2132 WeakPolarHBondContact CD1-OG 3.19Å; L2066-S2132 WeakPolarHBondContact CD2-OG 3.45Å; L2066-I2134 HydrophobicContact CD1-CD1 4.2Å; L2066-I2134 HydrophobicContact CD1-CG1 4.44Å |
| 2067 | E | 89 | Confident | 79.7 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.1 | 172.5 | -63 | -162.5 | 177.9 | 0 | 0 | 112.4 | F2051 T2052 R2065 R2102 A2103 I2104 R2282 F2368 | F2051-E2067 WeakPolarHBondContact CA-O 3.04Å; F2051-E2067 WeakPolarHBondContact CD2-O 3.03Å; T2052-E2067 HydrophobicContact CG2-CB 4.24Å; T2052-E2067 WeakPolarHBondContact CG2-O 3.01Å; T2052-E2067 PolarHBondContact N-O 3.44Å; T2052-E2067 PolarHBondContact O-N 2.96Å; R2065-E2067 HydrophobicContact CG-CG 4.39Å; E2067-R2102 IonicContact OE1-CZ 2.76Å; E2067-R2102 IonicContact OE1-NE 3.96Å; E2067-R2102 IonicContact OE1-NH2 2.77Å; E2067-R2102 PolarHBondContact OE1-NH2 3.43Å; E2067-R2102 IonicContact OE2-CZ 3.35Å; E2067-R2102 IonicContact OE2-NE 3.75Å; E2067-R2102 PolarHBondContact OE2-NE 2.83Å; E2067-R2102 IonicContact OE2-NH2 3.15Å; E2067-R2102 PolarHBondContact OE2-NH2 2.96Å; E2067-R2102 VanDerWaalsContact OE2-NH2 3.12Å; E2067-A2103 WeakPolarHBondContact CA-O 3.4Å; E2067-I2104 HydrophobicContact CG-CB 4.5Å; E2067-I2104 HydrophobicContact CG-CG1 4.17Å; E2067-I2104 HydrophobicContact CG-CG2 4.24Å; E2067-R2282 IonicContact OE1-CZ 3.3Å; E2067-R2282 IonicContact OE1-NH1 3.33Å; E2067-R2282 IonicContact OE1-NH2 3.81Å; E2067-R2282 PolarHBondContact OE1-NH2 2.95Å; E2067-R2282 IonicContact OE2-CZ 3.95Å; E2067-R2282 VanDerWaalsContact OE2-CZ 3.26Å; E2067-R2282 IonicContact OE2-NH1 3.11Å; E2067-R2282 PolarHBondContact OE2-NH1 3.02Å; E2067-R2282 IonicContact OE2-NH2 3.86Å; E2067-R2282 PolarHBondContact OE2-NH2 2.78Å; E2067-F2368 HydrophobicContact CG-CD1 4.42Å; E2067-F2368 HydrophobicContact CG-CE1 4.27Å |
| 2068 | C | 90.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.4 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | V2049 H2050 F2051 L2079 R2102 A2103 C2122 | V2049-C2068 WeakPolarHBondContact CG2-SG 3.05Å; H2050-C2068 CarbonylContact O-C 3.48Å; H2050-C2068 VanDerWaalsContact O-CA 3.31Å; H2050-C2068 WeakPolarHBondContact O-CA 3.15Å; F2051-C2068 HydrophobicContact CD2-CB 3.95Å; F2051-C2068 HydrophobicContact CE2-CB 4.27Å; F2051-C2068 HydrophobicContact CG-CB 4.36Å; C2068-L2079 HydrophobicContact CB-CD2 4.23Å; C2068-R2102 WeakPolarHBondContact O-CA 3.33Å; C2068-A2103 PolarHBondContact N-O 3.49Å; C2068-A2103 PolarHBondContact O-N 2.99Å; C2068-C2122 HydrophobicContact CB-CB 3.65Å; C2068-C2122 WeakPolarHBondContact CB-SG 3.5Å; C2068-C2122 WeakPolarHBondContact SG-CB 3.45Å; C2068-C2122 CovalentContact SG-SG 2Å; C2068-C2122 PolarHBondContact SG-SG 3.36Å |
| 2069 | V | 86.5 | Confident | 80.2 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.7 | 179.7 | -162.8 | 0 | 0 | 0 | 0 | 110.6 | H2050 E2101 R2102 P2371 | H2050-V2069 PolarHBondContact N-O 2.79Å; H2050-V2069 PolarHBondContact O-N 3.28Å; V2069-E2101 CarbonylContact C-O 3.59Å; V2069-E2101 VanDerWaalsContact CA-O 3.25Å; V2069-E2101 WeakPolarHBondContact CA-O 3.07Å; V2069-R2102 HydrophobicContact CG1-CB 4.24Å; V2069-R2102 HydrophobicContact CG2-CB 4.37Å; V2069-R2102 HydrophobicContact CG2-CG 3.95Å; V2069-P2371 HydrophobicContact CB-CG 4.3Å; V2069-P2371 HydrophobicContact CG1-CG 4.05Å |
| 2070 | T | 82 | Confident | 80.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 147.7 | 168 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | I2047 R2048 V2049 R2072 T2075 P2077 E2101 | I2047-T2070 HydrophobicContact CG2-CG2 4.24Å; R2048-T2070 CarbonylContact O-C 3.42Å; R2048-T2070 WeakPolarHBondContact O-CA 2.95Å; R2048-T2070 WeakPolarHBondContact O-CB 3.15Å; V2049-T2070 HydrophobicContact CB-CG2 4Å; V2049-T2070 HydrophobicContact CG2-CG2 4.02Å; T2070-R2072 PolarHBondContact O-N 2.87Å; T2070-T2075 WeakPolarHBondContact CB-OG1 3.04Å; T2070-T2075 PolarHBondContact OG1-OG1 3.49Å; T2070-P2077 HydrophobicContact CG2-CB 3.96Å; T2070-P2077 HydrophobicContact CG2-CG 4.23Å; T2070-E2101 PolarHBondContact N-O 2.03Å; T2070-E2101 WeakPolarHBondContact OG1-CA 3.38Å; T2070-E2101 WeakPolarHBondContact OG1-CB 3.45Å; T2070-E2101 PolarHBondContact OG1-O 3.4Å |
| 2071 | D | 74.7 | Confident | 81.1 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -68.9 | -14.4 | -173.5 | 75.7 | -31 | 0 | 0 | 0 | 114.5 | R2048 | R2048-D2071 HydrophobicContact CB-CB 4.19Å; R2048-D2071 PolarHBondContact N-OD1 2.98Å; R2048-D2071 PolarHBondContact O-N 2.74Å |
| 2072 | R | 69.4 | Low | 81.2 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 36% | 0.362 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -114.4 | 122.7 | 178.6 | -64.1 | -163.6 | -165.8 | 145.7 | 12.8 | 113.2 | A2045 D2046 T2070 T2075 E2101 | A2045-R2072 PolarHBondContact O-NH1 2.91Å; A2045-R2072 PolarHBondContact O-NH2 2.68Å; D2046-R2072 PolarHBondContact O-NH2 3.44Å; T2070-R2072 PolarHBondContact O-N 2.87Å; R2072-T2075 HydrophobicContact CB-CG2 3.88Å; R2072-T2075 PolarHBondContact O-N 2.79Å; R2072-T2075 PolarHBondContact O-OG1 2.88Å; R2072-E2101 WeakPolarHBondContact O-CB 3.23Å |
| 2073 | P | 65.1 | Low | 81 | Confident | 110 Ų | 110 | 43.1 Ų | 43.1 | 71% | 0.714 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 142.3 | 169.4 | -26.2 | 35 | 0 | 0 | 0 | 112.8 | T2075 E2101 | P2073-T2075 VanDerWaalsContact C-N 3.28Å; P2073-T2075 PolarHBondContact O-N 2.72Å; P2073-E2101 WeakPolarHBondContact CA-OE2 3.49Å |
| 2074 | G | 64.5 | Low | 80.3 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -7.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T2100 E2101 | G2074-T2100 WeakPolarHBondContact CA-OG1 3.4Å; G2074-T2100 PolarHBondContact N-OG1 3.39Å; G2074-E2101 PolarHBondContact N-OE2 3.1Å |
| 2075 | T | 70 | Confident | 79.7 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | trans | -80.9 | 154.5 | 167.4 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | I2047 T2070 R2072 P2073 T2100 E2101 | I2047-T2075 HydrophobicContact CD1-CG2 3.81Å; I2047-T2075 HydrophobicContact CG1-CG2 4.29Å; I2047-T2075 HydrophobicContact CG2-CG2 3.98Å; T2070-T2075 WeakPolarHBondContact CB-OG1 3.04Å; T2070-T2075 PolarHBondContact OG1-OG1 3.49Å; R2072-T2075 HydrophobicContact CB-CG2 3.88Å; R2072-T2075 PolarHBondContact O-N 2.79Å; R2072-T2075 PolarHBondContact O-OG1 2.88Å; P2073-T2075 VanDerWaalsContact C-N 3.28Å; P2073-T2075 PolarHBondContact O-N 2.72Å; T2075-T2100 CarbonylContact O-C 3.53Å; T2075-T2100 VanDerWaalsContact O-O 3.07Å; T2075-E2101 WeakPolarHBondContact O-CA 3.08Å; T2075-E2101 PolarHBondContact O-N 3.08Å | ||
| 2076 | S | 73.9 | Confident | 79.3 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | trans | -130.6 | 109.5 | -177.4 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | R2097 T2100 P2125 | S2076-R2097 PolarHBondContact OG-NH1 2.76Å; S2076-T2100 WeakPolarHBondContact CA-O 3.28Å; S2076-P2125 WeakPolarHBondContact O-CG 3.28Å | ||
| 2077 | P | 83.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | trans | -77.6 | 144.2 | -176.4 | 28.5 | -33.3 | 0 | 0 | 0 | 112.8 | T2070 R2097 I2123 | T2070-P2077 HydrophobicContact CG2-CB 3.96Å; T2070-P2077 HydrophobicContact CG2-CG 4.23Å; P2077-R2097 VanDerWaalsContact O-CZ 3.25Å; P2077-R2097 PolarHBondContact O-NH1 2.89Å; P2077-R2097 PolarHBondContact O-NH2 2.92Å; P2077-I2123 CarbonylContact C-O 3.54Å; P2077-I2123 WeakPolarHBondContact CA-O 3.06Å; P2077-I2123 WeakPolarHBondContact CB-O 3.38Å | ||
| 2078 | V | 84.6 | Confident | 78.2 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 146 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 110 | C2122 I2123 | V2078-C2122 WeakPolarHBondContact O-CA 3.48Å; V2078-I2123 HydrophobicContact CB-CB 4.35Å; V2078-I2123 PolarHBondContact N-O 3.41Å; V2078-I2123 PolarHBondContact O-N 2.81Å |
| 2079 | L | 88.8 | Confident | 77.4 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.5 | -175 | -80.7 | -177.3 | 0 | 0 | 0 | 111.2 | F2051 C2068 I2087 V2095 A2103 I2105 C2122 | F2051-L2079 HydrophobicContact CZ-CD2 4.43Å; C2068-L2079 HydrophobicContact CB-CD2 4.23Å; L2079-I2087 HydrophobicContact CB-CD1 3.71Å; L2079-I2087 HydrophobicContact CB-CG1 4.23Å; L2079-I2087 HydrophobicContact CD1-CD1 4.27Å; L2079-I2087 HydrophobicContact CD2-CD1 4.19Å; L2079-I2087 HydrophobicContact CG-CD1 4.29Å; L2079-V2095 HydrophobicContact CD1-CG1 3.83Å; L2079-A2103 HydrophobicContact CD1-CB 3.59Å; L2079-A2103 HydrophobicContact CG-CB 4.44Å; L2079-I2105 HydrophobicContact CD1-CD1 4.11Å; L2079-I2105 HydrophobicContact CD1-CG1 3.92Å; L2079-I2105 HydrophobicContact CD2-CD1 4.04Å; L2079-C2122 HydrophobicContact CD2-CB 3.7Å; L2079-C2122 WeakPolarHBondContact CD2-SG 3.5Å |
| 2080 | Q | 85.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.6 | -176.1 | 62.4 | -176.1 | 43.2 | 0 | 0 | 112.1 | R2085 I2120 E2121 I2123 | Q2080-R2085 CarbonylContact C-O 3.49Å; Q2080-R2085 VanDerWaalsContact CA-O 3.28Å; Q2080-R2085 WeakPolarHBondContact CA-O 3.09Å; Q2080-R2085 WeakPolarHBondContact CB-O 3.1Å; Q2080-I2120 CarbonylContact O-C 3.5Å; Q2080-I2120 WeakPolarHBondContact O-CG2 3.35Å; Q2080-E2121 HydrophobicContact CG-CB 3.98Å; Q2080-E2121 HydrophobicContact CG-CG 4.49Å; Q2080-E2121 PolarHBondContact N-O 2.87Å; Q2080-E2121 PolarHBondContact NE2-OE2 2.9Å; Q2080-E2121 PolarHBondContact O-N 3.26Å; Q2080-I2123 HydrophobicContact CG-CD1 4.28Å |
| 2081 | F | 88 | Confident | 77 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 159.5 | 160.7 | -62.6 | -71.2 | 0 | 0 | 0 | 110 | D2083 G2084 R2085 I2087 D2090 F2093 I2118 I2120 | F2081-D2083 PolarHBondContact O-N 2.63Å; F2081-G2084 PolarHBondContact O-N 3.18Å; F2081-R2085 HydrophobicContact CD2-CB 4.08Å; F2081-R2085 PolarHBondContact N-O 3.38Å; F2081-I2087 HydrophobicContact CZ-CG2 4.47Å; F2081-D2090 HydrophobicContact CE2-CB 4.27Å; F2081-D2090 HydrophobicContact CZ-CB 4.05Å; F2081-F2093 HydrophobicContact CE1-CE1 4.49Å; F2081-F2093 HydrophobicContact CE1-CE2 4.11Å; F2081-F2093 HydrophobicContact CE1-CZ 4.06Å; F2081-F2093 HydrophobicContact CZ-CD2 4.06Å; F2081-F2093 AromaticContact CZ-CE2 3.92Å; F2081-F2093 HydrophobicContact CZ-CE2 3.92Å; F2081-F2093 HydrophobicContact CZ-CZ 4.32Å; F2081-I2118 HydrophobicContact CD1-CG2 3.99Å; F2081-I2118 HydrophobicContact CE1-CG2 3.88Å; F2081-I2120 HydrophobicContact CD1-CG1 4.18Å; F2081-I2120 HydrophobicContact CE1-CG1 4.33Å |
| 2082 | I | 80.5 | Confident | 77.3 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.4 | -178.2 | -166.7 | 159.6 | 0 | 0 | 0 | 114.9 | G2084 I2119 E2121 | I2082-G2084 VanDerWaalsContact C-N 3.31Å; I2082-I2119 HydrophobicContact CB-CB 4.05Å; I2082-I2119 HydrophobicContact CB-CG2 4.15Å; I2082-I2119 HydrophobicContact CD1-CB 4.22Å; I2082-I2119 HydrophobicContact CD1-CD1 4.04Å; I2082-I2119 HydrophobicContact CD1-CG2 3.81Å; I2082-I2119 HydrophobicContact CG2-CB 3.93Å; I2082-I2119 PolarHBondContact N-O 3.26Å; I2082-I2119 VanDerWaalsContact N-O 3.09Å; I2082-E2121 HydrophobicContact CB-CG 4.47Å |
| 2083 | D | 74.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.4 | 172.4 | 62.7 | 20.2 | 0 | 0 | 0 | 113.9 | F2081 R2085 | F2081-D2083 PolarHBondContact O-N 2.63Å; D2083-R2085 VanDerWaalsContact CG-NE 3.34Å; D2083-R2085 VanDerWaalsContact OD1-CB 3.29Å; D2083-R2085 WeakPolarHBondContact OD1-CB 3.34Å; D2083-R2085 WeakPolarHBondContact OD1-CG 2.91Å; D2083-R2085 IonicContact OD1-CZ 3.92Å; D2083-R2085 PolarHBondContact OD1-N 2.69Å; D2083-R2085 IonicContact OD1-NE 2.73Å; D2083-R2085 PolarHBondContact OD1-NE 2.79Å; D2083-R2085 IonicContact OD1-NH2 3.42Å; D2083-R2085 IonicContact OD2-CZ 2.85Å; D2083-R2085 IonicContact OD2-NE 3.92Å; D2083-R2085 PolarHBondContact OD2-NE 3.37Å; D2083-R2085 IonicContact OD2-NH2 3.58Å; D2083-R2085 PolarHBondContact OD2-NH2 2.92Å |
| 2084 | G | 68.1 | Low | 79.1 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 87.8 | -3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F2081 I2082 | F2081-G2084 PolarHBondContact O-N 3.18Å; I2082-G2084 VanDerWaalsContact C-N 3.31Å |
| 2085 | R | 75.3 | Confident | 80 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | trans | -69.3 | 135.9 | 174.4 | -69.7 | -178.3 | -67.5 | 133 | -1.7 | 110.7 | Q2080 F2081 D2083 | Q2080-R2085 CarbonylContact C-O 3.49Å; Q2080-R2085 VanDerWaalsContact CA-O 3.28Å; Q2080-R2085 WeakPolarHBondContact CA-O 3.09Å; Q2080-R2085 WeakPolarHBondContact CB-O 3.1Å; F2081-R2085 HydrophobicContact CD2-CB 4.08Å; F2081-R2085 PolarHBondContact N-O 3.38Å; D2083-R2085 VanDerWaalsContact CG-NE 3.34Å; D2083-R2085 VanDerWaalsContact OD1-CB 3.29Å; D2083-R2085 WeakPolarHBondContact OD1-CB 3.34Å; D2083-R2085 WeakPolarHBondContact OD1-CG 2.91Å; D2083-R2085 IonicContact OD1-CZ 3.92Å; D2083-R2085 PolarHBondContact OD1-N 2.69Å; D2083-R2085 IonicContact OD1-NE 2.73Å; D2083-R2085 PolarHBondContact OD1-NE 2.79Å; D2083-R2085 IonicContact OD1-NH2 3.42Å; D2083-R2085 IonicContact OD2-CZ 2.85Å; D2083-R2085 IonicContact OD2-NE 3.92Å; D2083-R2085 PolarHBondContact OD2-NE 3.37Å; D2083-R2085 IonicContact OD2-NH2 3.58Å; D2083-R2085 PolarHBondContact OD2-NH2 2.92Å | ||
| 2086 | P | 79.9 | Confident | 80.6 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 143.2 | 174 | 27.9 | -34.8 | 0 | 0 | 0 | 110.4 | T2088 S2089 | P2086-T2088 PolarHBondContact O-N 2.79Å; P2086-T2088 VanDerWaalsContact O-N 3.15Å; P2086-S2089 WeakPolarHBondContact O-CB 3.14Å; P2086-S2089 PolarHBondContact O-N 2.84Å; P2086-S2089 PolarHBondContact O-OG 2.78Å |
| 2087 | I | 80 | Confident | 81 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -55 | -38 | -177.7 | -61.6 | -178.2 | 0 | 0 | 0 | 111.6 | L2079 F2081 S2089 D2090 F2093 V2095 I2105 I2120 | L2079-I2087 HydrophobicContact CB-CD1 3.71Å; L2079-I2087 HydrophobicContact CB-CG1 4.23Å; L2079-I2087 HydrophobicContact CD1-CD1 4.27Å; L2079-I2087 HydrophobicContact CD2-CD1 4.19Å; L2079-I2087 HydrophobicContact CG-CD1 4.29Å; F2081-I2087 HydrophobicContact CZ-CG2 4.47Å; I2087-S2089 PolarHBondContact O-N 2.85Å; I2087-D2090 PolarHBondContact O-N 3.05Å; I2087-D2090 VanDerWaalsContact O-N 3.07Å; I2087-F2093 HydrophobicContact CG2-CB 3.35Å; I2087-F2093 HydrophobicContact CG2-CD1 4.02Å; I2087-F2093 HydrophobicContact CG2-CG 3.78Å; I2087-V2095 HydrophobicContact CB-CG2 4.25Å; I2087-V2095 HydrophobicContact CG2-CG2 3.94Å; I2087-I2105 HydrophobicContact CD1-CD1 3.5Å; I2087-I2105 VanDerWaalsContact CD1-CD1 3.5Å; I2087-I2105 HydrophobicContact CD1-CG1 4.01Å; I2087-I2105 HydrophobicContact CG2-CG2 4.42Å; I2087-I2120 HydrophobicContact CD1-CD1 4.41Å; I2087-I2120 HydrophobicContact CD1-CG2 3.33Å; I2087-I2120 HydrophobicContact CG1-CG2 4.03Å |
| 2088 | T | 77.3 | Confident | 80.6 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 64% | 0.638 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64.8 | 1.3 | 178.7 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | P2086 D2090 V2095 | P2086-T2088 PolarHBondContact O-N 2.79Å; P2086-T2088 VanDerWaalsContact O-N 3.15Å; T2088-D2090 VanDerWaalsContact C-N 3.34Å; T2088-V2095 HydrophobicContact CG2-CG2 4.3Å |
| 2089 | S | 74.2 | Confident | 80.1 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -76.5 | -18.2 | 167.8 | 62 | 0 | 0 | 0 | 0 | 113.6 | P2086 I2087 | P2086-S2089 WeakPolarHBondContact O-CB 3.14Å; P2086-S2089 PolarHBondContact O-N 2.84Å; P2086-S2089 PolarHBondContact O-OG 2.78Å; I2087-S2089 PolarHBondContact O-N 2.85Å |
| 2090 | D | 78.8 | Confident | 79.4 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -110.5 | 117.2 | 172.2 | -175.5 | -24.2 | 0 | 0 | 0 | 109.6 | F2081 I2087 T2088 R2092 F2093 | F2081-D2090 HydrophobicContact CE2-CB 4.27Å; F2081-D2090 HydrophobicContact CZ-CB 4.05Å; I2087-D2090 PolarHBondContact O-N 3.05Å; I2087-D2090 VanDerWaalsContact O-N 3.07Å; T2088-D2090 VanDerWaalsContact C-N 3.34Å; D2090-R2092 PolarHBondContact O-N 3.05Å; D2090-R2092 VanDerWaalsContact O-N 3.11Å; D2090-R2092 VanDerWaalsContact OD1-CB 3.26Å; D2090-R2092 WeakPolarHBondContact OD1-CB 3.4Å; D2090-R2092 VanDerWaalsContact OD1-CG 3.27Å; D2090-R2092 WeakPolarHBondContact OD1-CG 3.27Å; D2090-R2092 PolarHBondContact OD1-N 2.88Å; D2090-R2092 IonicContact OD1-NE 2.76Å; D2090-R2092 PolarHBondContact OD1-NE 2.74Å; D2090-R2092 VanDerWaalsContact OD1-NE 3.11Å; D2090-R2092 IonicContact OD2-CZ 3.94Å; D2090-R2092 VanDerWaalsContact OD2-CZ 3.3Å; D2090-R2092 IonicContact OD2-NE 3.92Å; D2090-R2092 PolarHBondContact OD2-NE 2.92Å; D2090-R2092 IonicContact OD2-NH2 3.23Å; D2090-R2092 PolarHBondContact OD2-NH2 2.87Å; D2090-F2093 HydrophobicContact CB-CD2 3.77Å; D2090-F2093 HydrophobicContact CB-CE2 4.16Å; D2090-F2093 PolarHBondContact O-N 2.97Å; D2090-F2093 VanDerWaalsContact O-N 3.16Å |
| 2091 | Q | 80.2 | Confident | 79.1 | Confident | 192 Ų | 192 | 68 Ų | 68 | 90% | 0.897 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.7 | -175.9 | -67 | -173.6 | -7.3 | 0 | 0 | 114 | F2093 | Q2091-F2093 VanDerWaalsContact C-N 3.26Å; Q2091-F2093 PolarHBondContact O-N 2.8Å |
| 2092 | R | 82 | Confident | 78.9 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.4 | 174.4 | -60.5 | 178.4 | -67.4 | 174 | 5.5 | 112.6 | D2090 L2111 D2115 | D2090-R2092 PolarHBondContact O-N 3.05Å; D2090-R2092 VanDerWaalsContact O-N 3.11Å; D2090-R2092 VanDerWaalsContact OD1-CB 3.26Å; D2090-R2092 WeakPolarHBondContact OD1-CB 3.4Å; D2090-R2092 VanDerWaalsContact OD1-CG 3.27Å; D2090-R2092 WeakPolarHBondContact OD1-CG 3.27Å; D2090-R2092 PolarHBondContact OD1-N 2.88Å; D2090-R2092 IonicContact OD1-NE 2.76Å; D2090-R2092 PolarHBondContact OD1-NE 2.74Å; D2090-R2092 VanDerWaalsContact OD1-NE 3.11Å; D2090-R2092 IonicContact OD2-CZ 3.94Å; D2090-R2092 VanDerWaalsContact OD2-CZ 3.3Å; D2090-R2092 IonicContact OD2-NE 3.92Å; D2090-R2092 PolarHBondContact OD2-NE 2.92Å; D2090-R2092 IonicContact OD2-NH2 3.23Å; D2090-R2092 PolarHBondContact OD2-NH2 2.87Å; R2092-L2111 HydrophobicContact CB-CD2 4.48Å; R2092-L2111 VanDerWaalsContact CZ-CD2 3.48Å; R2092-D2115 IonicContact CZ-OD1 2.63Å; R2092-D2115 IonicContact CZ-OD2 3.96Å; R2092-D2115 VanDerWaalsContact NH1-CG 3.31Å; R2092-D2115 IonicContact NH1-OD1 3.99Å; R2092-D2115 PolarHBondContact NH1-OD1 2.84Å; R2092-D2115 IonicContact NH1-OD2 3.56Å; R2092-D2115 PolarHBondContact NH1-OD2 3.35Å; R2092-D2115 IonicContact NH2-OD1 3.94Å; R2092-D2115 PolarHBondContact NH2-OD1 3.18Å; R2092-D2115 IonicContact NH2-OD2 3.08Å |
| 2093 | F | 88.2 | Confident | 79.2 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | trans | -102.9 | 110 | -175 | -64.9 | -99.4 | 0 | 0 | 0 | 111.8 | F2064 F2081 I2087 D2090 Q2091 I2105 V2107 L2111 I2118 I2120 I2134 | F2064-F2093 HydrophobicContact CZ-CE1 4.43Å; F2081-F2093 HydrophobicContact CE1-CE1 4.49Å; F2081-F2093 HydrophobicContact CE1-CE2 4.11Å; F2081-F2093 HydrophobicContact CE1-CZ 4.06Å; F2081-F2093 HydrophobicContact CZ-CD2 4.06Å; F2081-F2093 AromaticContact CZ-CE2 3.92Å; F2081-F2093 HydrophobicContact CZ-CE2 3.92Å; F2081-F2093 HydrophobicContact CZ-CZ 4.32Å; I2087-F2093 HydrophobicContact CG2-CB 3.35Å; I2087-F2093 HydrophobicContact CG2-CD1 4.02Å; I2087-F2093 HydrophobicContact CG2-CG 3.78Å; D2090-F2093 HydrophobicContact CB-CD2 3.77Å; D2090-F2093 HydrophobicContact CB-CE2 4.16Å; D2090-F2093 PolarHBondContact O-N 2.97Å; D2090-F2093 VanDerWaalsContact O-N 3.16Å; Q2091-F2093 VanDerWaalsContact C-N 3.26Å; Q2091-F2093 PolarHBondContact O-N 2.8Å; F2093-I2105 HydrophobicContact CB-CG2 4.39Å; F2093-I2105 HydrophobicContact CD1-CG2 3.86Å; F2093-V2107 HydrophobicContact CD1-CG2 3.36Å; F2093-V2107 HydrophobicContact CE1-CG2 3.62Å; F2093-V2107 HydrophobicContact CG-CG2 4.02Å; F2093-V2107 HydrophobicContact CZ-CG2 4.47Å; F2093-L2111 HydrophobicContact CE2-CD2 3.93Å; F2093-L2111 HydrophobicContact CZ-CD1 4.09Å; F2093-L2111 HydrophobicContact CZ-CD2 3.88Å; F2093-I2118 HydrophobicContact CE2-CD1 4.45Å; F2093-I2118 HydrophobicContact CZ-CD1 3.97Å; F2093-I2118 HydrophobicContact CZ-CG2 4.36Å; F2093-I2120 HydrophobicContact CD1-CD1 4.18Å; F2093-I2120 HydrophobicContact CE1-CD1 3.75Å; F2093-I2134 HydrophobicContact CE1-CD1 4.48Å | ||
| 2094 | V | 83.4 | Confident | 80 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.9 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | D2106 | V2094-D2106 HydrophobicContact CB-CB 4.44Å; V2094-D2106 PolarHBondContact N-O 2.89Å; V2094-D2106 PolarHBondContact O-N 3.03Å |
| 2095 | V | 83.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.3 | 179.7 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | L2079 I2087 T2088 I2104 I2105 | L2079-V2095 HydrophobicContact CD1-CG1 3.83Å; I2087-V2095 HydrophobicContact CB-CG2 4.25Å; I2087-V2095 HydrophobicContact CG2-CG2 3.94Å; T2088-V2095 HydrophobicContact CG2-CG2 4.3Å; V2095-I2104 WeakPolarHBondContact CA-O 3.45Å; V2095-I2105 HydrophobicContact CG2-CG1 4.39Å |
| 2096 | S | 82.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.5 | 173.1 | 68 | 0 | 0 | 0 | 0 | 111.7 | P2098 A2103 I2104 | S2096-P2098 WeakPolarHBondContact O-CD 3.35Å; S2096-A2103 CarbonylContact O-C 3.55Å; S2096-A2103 WeakPolarHBondContact O-CA 3.39Å; S2096-I2104 PolarHBondContact N-O 3.2Å; S2096-I2104 PolarHBondContact O-N 2.03Å |
| 2097 | R | 82 | Confident | 82.1 | Confident | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 84 | -178.2 | -70.8 | -176.2 | -178.3 | -101.4 | -3.4 | 110.8 | S2076 P2077 S2099 R2102 A2103 | S2076-R2097 PolarHBondContact OG-NH1 2.76Å; P2077-R2097 VanDerWaalsContact O-CZ 3.25Å; P2077-R2097 PolarHBondContact O-NH1 2.89Å; P2077-R2097 PolarHBondContact O-NH2 2.92Å; R2097-S2099 PolarHBondContact O-N 2.68Å; R2097-R2102 WeakPolarHBondContact CA-O 3.31Å; R2097-A2103 HydrophobicContact CG-CB 3.99Å |
| 2098 | P | 74.3 | Confident | 82.1 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -17.8 | -179.4 | 26.9 | -37.8 | 0 | 0 | 0 | 114 | S2096 R2102 I2104 | S2096-P2098 WeakPolarHBondContact O-CD 3.35Å; P2098-R2102 WeakPolarHBondContact CD-O 3.29Å; P2098-R2102 HydrophobicContact CG-CB 4.45Å; P2098-R2102 HydrophobicContact CG-CG 4.02Å; P2098-I2104 HydrophobicContact CG-CD1 4Å; P2098-I2104 HydrophobicContact CG-CG1 4.11Å |
| 2099 | S | 75.2 | Confident | 82.1 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 174.1 | 163.7 | 63.9 | 0 | 0 | 0 | 0 | 109.6 | R2097 E2101 R2102 | R2097-S2099 PolarHBondContact O-N 2.68Å; S2099-E2101 VanDerWaalsContact C-N 3.35Å; S2099-E2101 WeakPolarHBondContact CB-OE1 3.03Å; S2099-E2101 PolarHBondContact O-N 3.05Å; S2099-E2101 VanDerWaalsContact OG-CD 3.23Å; S2099-E2101 PolarHBondContact OG-OE1 2.99Å; S2099-R2102 PolarHBondContact O-N 3.11Å |
| 2100 | T | 74 | Confident | 82.6 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -52.7 | 177.5 | 21.2 | 0 | 0 | 0 | 0 | 111.7 | G2074 T2075 S2076 R2102 | G2074-T2100 WeakPolarHBondContact CA-OG1 3.4Å; G2074-T2100 PolarHBondContact N-OG1 3.39Å; T2075-T2100 CarbonylContact O-C 3.53Å; T2075-T2100 VanDerWaalsContact O-O 3.07Å; S2076-T2100 WeakPolarHBondContact CA-O 3.28Å; T2100-R2102 VanDerWaalsContact C-N 3.3Å; T2100-R2102 PolarHBondContact O-N 2.82Å |
| 2101 | E | 78.3 | Confident | 82.9 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3.6 | -173.5 | 63.1 | -71.1 | 156.8 | 0 | 0 | 114.3 | V2069 T2070 R2072 P2073 G2074 T2075 S2099 | V2069-E2101 CarbonylContact C-O 3.59Å; V2069-E2101 VanDerWaalsContact CA-O 3.25Å; V2069-E2101 WeakPolarHBondContact CA-O 3.07Å; T2070-E2101 PolarHBondContact N-O 2.03Å; T2070-E2101 WeakPolarHBondContact OG1-CA 3.38Å; T2070-E2101 WeakPolarHBondContact OG1-CB 3.45Å; T2070-E2101 PolarHBondContact OG1-O 3.4Å; R2072-E2101 WeakPolarHBondContact O-CB 3.23Å; P2073-E2101 WeakPolarHBondContact CA-OE2 3.49Å; G2074-E2101 PolarHBondContact N-OE2 3.1Å; T2075-E2101 WeakPolarHBondContact O-CA 3.08Å; T2075-E2101 PolarHBondContact O-N 3.08Å; S2099-E2101 VanDerWaalsContact C-N 3.35Å; S2099-E2101 WeakPolarHBondContact CB-OE1 3.03Å; S2099-E2101 PolarHBondContact O-N 3.05Å; S2099-E2101 VanDerWaalsContact OG-CD 3.23Å; S2099-E2101 PolarHBondContact OG-OE1 2.99Å |
| 2102 | R | 85.1 | Confident | 82.6 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 125.6 | -177.5 | 178.3 | 160.4 | 162.2 | -96.9 | -7.9 | 112.6 | E2067 C2068 V2069 R2097 P2098 S2099 T2100 R2282 | E2067-R2102 IonicContact OE1-CZ 2.76Å; E2067-R2102 IonicContact OE1-NE 3.96Å; E2067-R2102 IonicContact OE1-NH2 2.77Å; E2067-R2102 PolarHBondContact OE1-NH2 3.43Å; E2067-R2102 IonicContact OE2-CZ 3.35Å; E2067-R2102 IonicContact OE2-NE 3.75Å; E2067-R2102 PolarHBondContact OE2-NE 2.83Å; E2067-R2102 IonicContact OE2-NH2 3.15Å; E2067-R2102 PolarHBondContact OE2-NH2 2.96Å; E2067-R2102 VanDerWaalsContact OE2-NH2 3.12Å; C2068-R2102 WeakPolarHBondContact O-CA 3.33Å; V2069-R2102 HydrophobicContact CG1-CB 4.24Å; V2069-R2102 HydrophobicContact CG2-CB 4.37Å; V2069-R2102 HydrophobicContact CG2-CG 3.95Å; R2097-R2102 WeakPolarHBondContact CA-O 3.31Å; P2098-R2102 WeakPolarHBondContact CD-O 3.29Å; P2098-R2102 HydrophobicContact CG-CB 4.45Å; P2098-R2102 HydrophobicContact CG-CG 4.02Å; S2099-R2102 PolarHBondContact O-N 3.11Å; T2100-R2102 VanDerWaalsContact C-N 3.3Å; T2100-R2102 PolarHBondContact O-N 2.82Å; R2102-R2282 VanDerWaalsContact NH2-NH2 3.15Å |
| 2103 | A | 87.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E2067 C2068 L2079 S2096 R2097 | E2067-A2103 WeakPolarHBondContact CA-O 3.4Å; C2068-A2103 PolarHBondContact N-O 3.49Å; C2068-A2103 PolarHBondContact O-N 2.99Å; L2079-A2103 HydrophobicContact CD1-CB 3.59Å; L2079-A2103 HydrophobicContact CG-CB 4.44Å; S2096-A2103 CarbonylContact O-C 3.55Å; S2096-A2103 WeakPolarHBondContact O-CA 3.39Å; R2097-A2103 HydrophobicContact CG-CB 3.99Å |
| 2104 | I | 89.8 | Confident | 80.8 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.9 | 173 | -49.4 | 177 | 0 | 0 | 0 | 107.7 | R2065 L2066 E2067 V2095 S2096 P2098 | R2065-I2104 HydrophobicContact CG-CG2 3.76Å; L2066-I2104 WeakPolarHBondContact O-CA 3.35Å; E2067-I2104 HydrophobicContact CG-CB 4.5Å; E2067-I2104 HydrophobicContact CG-CG1 4.17Å; E2067-I2104 HydrophobicContact CG-CG2 4.24Å; V2095-I2104 WeakPolarHBondContact CA-O 3.45Å; S2096-I2104 PolarHBondContact N-O 3.2Å; S2096-I2104 PolarHBondContact O-N 2.03Å; P2098-I2104 HydrophobicContact CG-CD1 4Å; P2098-I2104 HydrophobicContact CG-CG1 4.11Å |
| 2105 | I | 91.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.9 | 170.6 | -53.7 | 155.3 | 0 | 0 | 0 | 107.1 | F2051 R2065 L2066 L2079 I2087 F2093 V2095 I2120 | F2051-I2105 HydrophobicContact CE2-CD1 3.93Å; F2051-I2105 HydrophobicContact CZ-CD1 3.75Å; R2065-I2105 CarbonylContact C-O 3.07Å; R2065-I2105 WeakPolarHBondContact CA-O 3.27Å; L2066-I2105 HydrophobicContact CB-CB 4.35Å; L2066-I2105 HydrophobicContact CB-CD1 4.31Å; L2066-I2105 HydrophobicContact CD1-CD1 4.34Å; L2066-I2105 PolarHBondContact N-O 2.95Å; L2066-I2105 PolarHBondContact O-N 2.89Å; L2079-I2105 HydrophobicContact CD1-CD1 4.11Å; L2079-I2105 HydrophobicContact CD1-CG1 3.92Å; L2079-I2105 HydrophobicContact CD2-CD1 4.04Å; I2087-I2105 HydrophobicContact CD1-CD1 3.5Å; I2087-I2105 VanDerWaalsContact CD1-CD1 3.5Å; I2087-I2105 HydrophobicContact CD1-CG1 4.01Å; I2087-I2105 HydrophobicContact CG2-CG2 4.42Å; F2093-I2105 HydrophobicContact CB-CG2 4.39Å; F2093-I2105 HydrophobicContact CD1-CG2 3.86Å; V2095-I2105 HydrophobicContact CG2-CG1 4.39Å; I2105-I2120 HydrophobicContact CD1-CG2 4.16Å |
| 2106 | D | 88.7 | Confident | 79.6 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136 | 176.4 | -76.7 | -41.5 | 0 | 0 | 0 | 110.5 | R2065 V2094 | R2065-D2106 WeakPolarHBondContact CB-OD1 3.12Å; R2065-D2106 WeakPolarHBondContact CG-OD1 3.29Å; R2065-D2106 IonicContact CZ-OD1 2.91Å; R2065-D2106 VanDerWaalsContact CZ-OD1 3.29Å; R2065-D2106 IonicContact CZ-OD2 2.8Å; R2065-D2106 IonicContact NE-OD1 2.98Å; R2065-D2106 PolarHBondContact NE-OD1 3.04Å; R2065-D2106 IonicContact NE-OD2 3.66Å; R2065-D2106 VanDerWaalsContact NH2-CG 3.32Å; R2065-D2106 IonicContact NH2-OD1 2.63Å; R2065-D2106 PolarHBondContact NH2-OD1 3.19Å; R2065-D2106 VanDerWaalsContact NH2-OD1 3.11Å; R2065-D2106 IonicContact NH2-OD2 3.3Å; R2065-D2106 PolarHBondContact NH2-OD2 3.39Å; V2094-D2106 HydrophobicContact CB-CB 4.44Å; V2094-D2106 PolarHBondContact N-O 2.89Å; V2094-D2106 PolarHBondContact O-N 3.03Å |
| 2107 | V | 88.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 80.4 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | A2063 F2064 F2093 G2109 G2110 L2111 | A2063-V2107 VanDerWaalsContact CA-O 3.31Å; A2063-V2107 WeakPolarHBondContact CA-O 3.27Å; F2064-V2107 HydrophobicContact CD1-CB 3.99Å; F2064-V2107 HydrophobicContact CD1-CG1 4.44Å; F2064-V2107 HydrophobicContact CD2-CG2 4.48Å; F2064-V2107 HydrophobicContact CE1-CB 3.58Å; F2064-V2107 HydrophobicContact CE1-CG1 3.74Å; F2064-V2107 HydrophobicContact CE1-CG2 3.94Å; F2064-V2107 HydrophobicContact CE2-CB 4.22Å; F2064-V2107 HydrophobicContact CE2-CG2 3.8Å; F2064-V2107 HydrophobicContact CG-CB 4.48Å; F2064-V2107 HydrophobicContact CZ-CB 3.71Å; F2064-V2107 HydrophobicContact CZ-CG1 4.07Å; F2064-V2107 HydrophobicContact CZ-CG2 3.49Å; F2064-V2107 VanDerWaalsContact CZ-CG2 3.49Å; F2064-V2107 PolarHBondContact N-O 2.77Å; F2064-V2107 PolarHBondContact O-N 2.84Å; F2093-V2107 HydrophobicContact CD1-CG2 3.36Å; F2093-V2107 HydrophobicContact CE1-CG2 3.62Å; F2093-V2107 HydrophobicContact CG-CG2 4.02Å; F2093-V2107 HydrophobicContact CZ-CG2 4.47Å; V2107-G2109 PolarHBondContact O-N 2.92Å; V2107-G2110 WeakPolarHBondContact CG1-O 2.91Å; V2107-G2110 PolarHBondContact O-N 3.16Å; V2107-L2111 HydrophobicContact CG1-CD2 4.2Å; V2107-L2111 HydrophobicContact CG1-CG 4.08Å |
| 2108 | P | 78.2 | Confident | 79.9 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -22.4 | -165.7 | 28.3 | -35.5 | 0 | 0 | 0 | 114.5 | A2063 | A2063-P2108 WeakPolarHBondContact CB-O 3.48Š|
| 2109 | G | 78.6 | Confident | 80.7 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V2107 | V2107-G2109 PolarHBondContact O-N 2.92Š|
| 2110 | G | 84.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | trans | 62.3 | -155.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113 | R2062 V2107 | R2062-G2110 WeakPolarHBondContact O-CA 3.31Å; V2107-G2110 WeakPolarHBondContact CG1-O 2.91Å; V2107-G2110 PolarHBondContact O-N 3.16Å | ||
| 2111 | L | 84.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -139.5 | 160.1 | -176.5 | -67.1 | 169.3 | 0 | 0 | 0 | 109.9 | P2060 G2061 F2064 R2092 F2093 V2107 D2115 I2118 I2134 I2136 | P2060-L2111 WeakPolarHBondContact CA-O 3.35Å; G2061-L2111 PolarHBondContact N-O 2.91Å; F2064-L2111 HydrophobicContact CE1-CD1 3.76Å; F2064-L2111 HydrophobicContact CE1-CG 4.07Å; F2064-L2111 HydrophobicContact CZ-CD1 3.73Å; F2064-L2111 HydrophobicContact CZ-CG 4.41Å; R2092-L2111 HydrophobicContact CB-CD2 4.48Å; R2092-L2111 VanDerWaalsContact CZ-CD2 3.48Å; F2093-L2111 HydrophobicContact CE2-CD2 3.93Å; F2093-L2111 HydrophobicContact CZ-CD1 4.09Å; F2093-L2111 HydrophobicContact CZ-CD2 3.88Å; V2107-L2111 HydrophobicContact CG1-CD2 4.2Å; V2107-L2111 HydrophobicContact CG1-CG 4.08Å; L2111-D2115 HydrophobicContact CB-CB 4.38Å; L2111-I2118 HydrophobicContact CD1-CD1 3.95Å; L2111-I2118 HydrophobicContact CD2-CD1 4.34Å; L2111-I2134 HydrophobicContact CD1-CG2 4.41Å; L2111-I2136 HydrophobicContact CB-CD1 3.25Å; L2111-I2136 HydrophobicContact CB-CG1 4.44Å; L2111-I2136 HydrophobicContact CD1-CD1 3.99Å; L2111-I2136 HydrophobicContact CG-CD1 4.27Å | ||
| 2112 | D | 73.7 | Confident | 82.8 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | trans | -85.1 | 158.8 | -174.8 | -81.1 | -34.6 | 0 | 0 | 0 | 112.4 | R2114 D2115 I2136 | D2112-R2114 HydrophobicContact CB-CB 4.5Å; D2112-R2114 PolarHBondContact O-N 2.85Å; D2112-D2115 PolarHBondContact N-OD2 3.4Å; D2112-D2115 VanDerWaalsContact N-OD2 3.15Å; D2112-D2115 PolarHBondContact O-N 2.81Å; D2112-I2136 VanDerWaalsContact O-CD1 3.31Å; D2112-I2136 WeakPolarHBondContact O-CD1 2.82Å | ||
| 2113 | A | 67.7 | Low | 82.7 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -7.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | P2060 L2138 | P2060-A2113 HydrophobicContact CB-CB 4.38Å; P2060-A2113 HydrophobicContact CG-CB 3.84Å; A2113-L2138 HydrophobicContact CB-CD1 3.89Å; A2113-L2138 HydrophobicContact CB-CD2 3.78Å; A2113-L2138 HydrophobicContact CB-CG 3.73Å |
| 2114 | R | 66.7 | Low | 82.2 | Confident | 226 Ų | 226 | 47.8 Ų | 47.8 | 85% | 0.853 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -33.2 | 172.8 | -55.1 | -175 | -166.9 | -143.6 | 3.8 | 111.8 | D2112 R2116 | D2112-R2114 HydrophobicContact CB-CB 4.5Å; D2112-R2114 PolarHBondContact O-N 2.85Å; R2114-R2116 PolarHBondContact O-N 3.38Å |
| 2115 | D | 72.7 | Confident | 81.1 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -78.1 | 42.3 | -179.1 | -56.3 | -87.7 | 0 | 0 | 0 | 112 | R2092 L2111 D2112 Q2117 I2118 I2136 | R2092-D2115 IonicContact CZ-OD1 2.63Å; R2092-D2115 IonicContact CZ-OD2 3.96Å; R2092-D2115 VanDerWaalsContact NH1-CG 3.31Å; R2092-D2115 IonicContact NH1-OD1 3.99Å; R2092-D2115 PolarHBondContact NH1-OD1 2.84Å; R2092-D2115 IonicContact NH1-OD2 3.56Å; R2092-D2115 PolarHBondContact NH1-OD2 3.35Å; R2092-D2115 IonicContact NH2-OD1 3.94Å; R2092-D2115 PolarHBondContact NH2-OD1 3.18Å; R2092-D2115 IonicContact NH2-OD2 3.08Å; L2111-D2115 HydrophobicContact CB-CB 4.38Å; D2112-D2115 PolarHBondContact N-OD2 3.4Å; D2112-D2115 VanDerWaalsContact N-OD2 3.15Å; D2112-D2115 PolarHBondContact O-N 2.81Å; D2115-Q2117 PolarHBondContact O-N 3.34Å; D2115-I2118 HydrophobicContact CB-CD1 3.97Å; D2115-I2118 HydrophobicContact CB-CG1 4.23Å; D2115-I2136 HydrophobicContact CB-CD1 3.63Å; D2115-I2136 VanDerWaalsContact O-CD1 3.22Å; D2115-I2136 WeakPolarHBondContact O-CD1 3.43Å | ||
| 2116 | R | 68.4 | Low | 79.9 | Confident | 199 Ų | 199 | 52.5 Ų | 52.5 | 75% | 0.751 | 28% | 0.277 | S | S | * | . | trans | -37.8 | -41.6 | -168 | -67.1 | 178.7 | 175.1 | -177.3 | -3.3 | 115.3 | R2114 I2136 | R2114-R2116 PolarHBondContact O-N 3.38Å; R2116-I2136 PolarHBondContact O-N 3.35Å | ||
| 2117 | Q | 83.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 128 | 174 | -174.8 | -179.6 | -5.8 | 0 | 0 | 109.1 | D2115 I2119 T2133 I2134 F2135 | D2115-Q2117 PolarHBondContact O-N 3.34Å; Q2117-I2119 HydrophobicContact CG-CG1 4.35Å; Q2117-T2133 HydrophobicContact CG-CG2 3.85Å; Q2117-T2133 VanDerWaalsContact NE2-CG2 3.35Å; Q2117-I2134 CarbonylContact C-O 3.53Å; Q2117-I2134 VanDerWaalsContact CA-O 3.3Å; Q2117-I2134 WeakPolarHBondContact CA-O 3.45Å; Q2117-F2135 HydrophobicContact CB-CD1 4.22Å; Q2117-F2135 HydrophobicContact CB-CE1 4.47Å; Q2117-F2135 VanDerWaalsContact CD-CE1 3.43Å; Q2117-F2135 HydrophobicContact CG-CD1 3.92Å; Q2117-F2135 HydrophobicContact CG-CE1 3.83Å; Q2117-F2135 HydrophobicContact CG-CZ 4.43Å |
| 2118 | I | 87.3 | Confident | 78.5 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.7 | 170.3 | -68.3 | -169.3 | 0 | 0 | 0 | 108.4 | F2081 F2093 L2111 D2115 I2120 I2134 | F2081-I2118 HydrophobicContact CD1-CG2 3.99Å; F2081-I2118 HydrophobicContact CE1-CG2 3.88Å; F2093-I2118 HydrophobicContact CE2-CD1 4.45Å; F2093-I2118 HydrophobicContact CZ-CD1 3.97Å; F2093-I2118 HydrophobicContact CZ-CG2 4.36Å; L2111-I2118 HydrophobicContact CD1-CD1 3.95Å; L2111-I2118 HydrophobicContact CD2-CD1 4.34Å; D2115-I2118 HydrophobicContact CB-CD1 3.97Å; D2115-I2118 HydrophobicContact CB-CG1 4.23Å; I2118-I2120 HydrophobicContact CG2-CD1 4.41Å; I2118-I2120 HydrophobicContact CG2-CG1 3.99Å; I2118-I2134 HydrophobicContact CB-CD1 4.32Å; I2118-I2134 HydrophobicContact CG2-CD1 4.16Å; I2118-I2134 PolarHBondContact N-O 2.84Å; I2118-I2134 PolarHBondContact O-N 3.17Å |
| 2119 | I | 90.4 | Very high | 78.7 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | 175.7 | -50.7 | 168 | 0 | 0 | 0 | 108.8 | I2082 Q2117 T2133 | I2082-I2119 HydrophobicContact CB-CB 4.05Å; I2082-I2119 HydrophobicContact CB-CG2 4.15Å; I2082-I2119 HydrophobicContact CD1-CB 4.22Å; I2082-I2119 HydrophobicContact CD1-CD1 4.04Å; I2082-I2119 HydrophobicContact CD1-CG2 3.81Å; I2082-I2119 HydrophobicContact CG2-CB 3.93Å; I2082-I2119 PolarHBondContact N-O 3.26Å; I2082-I2119 VanDerWaalsContact N-O 3.09Å; Q2117-I2119 HydrophobicContact CG-CG1 4.35Å; I2119-T2133 HydrophobicContact CG1-CG2 4.06Å |
| 2120 | I | 92.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.4 | 179.6 | -57.5 | -179 | 0 | 0 | 0 | 108.1 | F2051 L2066 Q2080 F2081 I2087 F2093 I2105 I2118 T2131 S2132 I2134 | F2051-I2120 HydrophobicContact CE1-CB 4.16Å; F2051-I2120 HydrophobicContact CE1-CG2 3.86Å; F2051-I2120 WeakPolarHBondContact CE1-O 3.4Å; F2051-I2120 HydrophobicContact CZ-CB 4.14Å; F2051-I2120 HydrophobicContact CZ-CG2 3.68Å; L2066-I2120 HydrophobicContact CD1-CD1 4.04Å; Q2080-I2120 CarbonylContact O-C 3.5Å; Q2080-I2120 WeakPolarHBondContact O-CG2 3.35Å; F2081-I2120 HydrophobicContact CD1-CG1 4.18Å; F2081-I2120 HydrophobicContact CE1-CG1 4.33Å; I2087-I2120 HydrophobicContact CD1-CD1 4.41Å; I2087-I2120 HydrophobicContact CD1-CG2 3.33Å; I2087-I2120 HydrophobicContact CG1-CG2 4.03Å; F2093-I2120 HydrophobicContact CD1-CD1 4.18Å; F2093-I2120 HydrophobicContact CE1-CD1 3.75Å; I2105-I2120 HydrophobicContact CD1-CG2 4.16Å; I2118-I2120 HydrophobicContact CG2-CD1 4.41Å; I2118-I2120 HydrophobicContact CG2-CG1 3.99Å; I2120-T2131 CarbonylContact O-C 3.56Å; I2120-T2131 VanDerWaalsContact O-CA 3.26Å; I2120-T2131 WeakPolarHBondContact O-CA 3.24Å; I2120-S2132 PolarHBondContact N-O 2.92Å; I2120-S2132 PolarHBondContact O-N 2.96Å; I2120-I2134 HydrophobicContact CD1-CD1 3.81Å; I2120-I2134 HydrophobicContact CG1-CD1 4.36Å |
| 2121 | E | 89.2 | Confident | 79.2 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143 | 172.8 | -52.4 | -167.9 | 86.1 | 0 | 0 | 111.1 | Q2080 I2082 I2123 R2129 K2130 T2131 | Q2080-E2121 HydrophobicContact CG-CB 3.98Å; Q2080-E2121 HydrophobicContact CG-CG 4.49Å; Q2080-E2121 PolarHBondContact N-O 2.87Å; Q2080-E2121 PolarHBondContact NE2-OE2 2.9Å; Q2080-E2121 PolarHBondContact O-N 3.26Å; I2082-E2121 HydrophobicContact CB-CG 4.47Å; E2121-I2123 HydrophobicContact CB-CG1 4.31Å; E2121-R2129 IonicContact OE1-CZ 2.87Å; E2121-R2129 IonicContact OE1-NE 3Å; E2121-R2129 PolarHBondContact OE1-NE 2.04Å; E2121-R2129 IonicContact OE1-NH2 2.66Å; E2121-R2129 PolarHBondContact OE1-NH2 2.94Å; E2121-R2129 IonicContact OE2-CZ 2.73Å; E2121-R2129 IonicContact OE2-NE 3.26Å; E2121-R2129 IonicContact OE2-NH2 2.69Å; E2121-R2129 PolarHBondContact OE2-NH2 3.02Å; E2121-K2130 WeakPolarHBondContact CA-O 3.3Å; E2121-T2131 HydrophobicContact CG-CG2 4.23Å |
| 2122 | C | 90.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.6 | 161.9 | -164.2 | 0 | 0 | 0 | 0 | 110.5 | V2049 F2051 C2068 V2078 L2079 R2129 K2130 | V2049-C2122 HydrophobicContact CG2-CB 4.33Å; F2051-C2122 HydrophobicContact CB-CB 4.37Å; F2051-C2122 HydrophobicContact CD1-CB 3.54Å; F2051-C2122 HydrophobicContact CE1-CB 3.82Å; F2051-C2122 HydrophobicContact CG-CB 3.93Å; F2051-C2122 HydrophobicContact CZ-CB 4.42Å; C2068-C2122 HydrophobicContact CB-CB 3.65Å; C2068-C2122 WeakPolarHBondContact CB-SG 3.5Å; C2068-C2122 WeakPolarHBondContact SG-CB 3.45Å; C2068-C2122 CovalentContact SG-SG 2Å; C2068-C2122 PolarHBondContact SG-SG 3.36Å; V2078-C2122 WeakPolarHBondContact O-CA 3.48Å; L2079-C2122 HydrophobicContact CD2-CB 3.7Å; L2079-C2122 WeakPolarHBondContact CD2-SG 3.5Å; C2122-R2129 WeakPolarHBondContact O-CA 2.98Å; C2122-K2130 PolarHBondContact N-O 3.11Å; C2122-K2130 PolarHBondContact O-N 2.99Å |
| 2123 | I | 84.7 | Confident | 80.2 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 14% | 0.138 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.7 | -167.3 | -46.1 | -172.9 | 0 | 0 | 0 | 110.2 | P2077 V2078 Q2080 E2121 E2128 R2129 | P2077-I2123 CarbonylContact C-O 3.54Å; P2077-I2123 WeakPolarHBondContact CA-O 3.06Å; P2077-I2123 WeakPolarHBondContact CB-O 3.38Å; V2078-I2123 HydrophobicContact CB-CB 4.35Å; V2078-I2123 PolarHBondContact N-O 3.41Å; V2078-I2123 PolarHBondContact O-N 2.81Å; Q2080-I2123 HydrophobicContact CG-CD1 4.28Å; E2121-I2123 HydrophobicContact CB-CG1 4.31Å; I2123-E2128 CarbonylContact C-O 3.59Å; I2123-E2128 VanDerWaalsContact CA-O 3.31Å; I2123-E2128 WeakPolarHBondContact CA-O 3.06Å; I2123-R2129 HydrophobicContact CB-CG 4.42Å; I2123-R2129 HydrophobicContact CD1-CG 4.1Å; I2123-R2129 HydrophobicContact CG1-CG 3.97Å; I2123-R2129 HydrophobicContact CG2-CG 3.92Å |
| 2124 | S | 74.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | trans | -73.9 | 156 | 177.5 | 102.4 | 0 | 0 | 0 | 0 | 111.5 | I2047 S2126 G2127 E2128 | I2047-S2124 VanDerWaalsContact O-CB 3.25Å; I2047-S2124 WeakPolarHBondContact O-CB 3.24Å; I2047-S2124 PolarHBondContact O-OG 3.05Å; S2124-S2126 PolarHBondContact O-N 3.08Å; S2124-S2126 VanDerWaalsContact O-N 3.11Å; S2124-S2126 PolarHBondContact OG-N 2.89Å; S2124-S2126 VanDerWaalsContact OG-N 3.12Å; S2124-S2126 PolarHBondContact OG-OG 2.95Å; S2124-S2126 VanDerWaalsContact OG-OG 3.1Å; S2124-G2127 PolarHBondContact O-N 2.84Å; S2124-G2127 PolarHBondContact OG-N 3.28Å; S2124-E2128 PolarHBondContact N-O 2.91Å; S2124-E2128 PolarHBondContact OG-N 3.27Å | ||
| 2125 | P | 67 | Low | 82 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.6 | 173.1 | -28.4 | 39.1 | 0 | 0 | 0 | 116.1 | I2047 S2076 | I2047-P2125 HydrophobicContact CD1-CB 4.43Å; S2076-P2125 WeakPolarHBondContact O-CG 3.28Å |
| 2126 | S | 67 | Low | 82.2 | Confident | 41 Ų | 41 | 46 Ų | 46 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 6.3 | 168.5 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | I2047 S2124 | I2047-S2126 PolarHBondContact N-OG 2.96Å; I2047-S2126 PolarHBondContact O-OG 2.23Å; I2047-S2126 VanDerWaalsContact O-OG 3.06Å; S2124-S2126 PolarHBondContact O-N 3.08Å; S2124-S2126 VanDerWaalsContact O-N 3.11Å; S2124-S2126 PolarHBondContact OG-N 2.89Å; S2124-S2126 VanDerWaalsContact OG-N 3.12Å; S2124-S2126 PolarHBondContact OG-OG 2.95Å; S2124-S2126 VanDerWaalsContact OG-OG 3.1Å |
| 2127 | G | 71 | Confident | 82.1 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 52% | 0.515 | 21% | 0.214 | S | C | . | . | trans | 90.5 | 6.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S2124 | S2124-G2127 PolarHBondContact O-N 2.84Å; S2124-G2127 PolarHBondContact OG-N 3.28Å | ||
| 2128 | E | 77.5 | Confident | 81.1 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | trans | -67 | 135 | 169.7 | -171.3 | -176.7 | -148.7 | 0 | 0 | 109.4 | R2048 V2049 I2123 S2124 | R2048-E2128 WeakPolarHBondContact CA-OE2 3.25Å; V2049-E2128 HydrophobicContact CG1-CB 4.1Å; V2049-E2128 HydrophobicContact CG1-CG 4.02Å; V2049-E2128 WeakPolarHBondContact CG1-O 3.38Å; V2049-E2128 PolarHBondContact N-OE2 2.98Å; I2123-E2128 CarbonylContact C-O 3.59Å; I2123-E2128 VanDerWaalsContact CA-O 3.31Å; I2123-E2128 WeakPolarHBondContact CA-O 3.06Å; S2124-E2128 PolarHBondContact N-O 2.91Å; S2124-E2128 PolarHBondContact OG-N 3.27Å | ||
| 2129 | R | 81.3 | Confident | 79.8 | Confident | 143 Ų | 143 | 41.7 Ų | 41.7 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.1 | 179.3 | -58.6 | 168 | 80.2 | 153.3 | 1.9 | 109 | E2121 C2122 I2123 | E2121-R2129 IonicContact OE1-CZ 2.87Å; E2121-R2129 IonicContact OE1-NE 3Å; E2121-R2129 PolarHBondContact OE1-NE 2.04Å; E2121-R2129 IonicContact OE1-NH2 2.66Å; E2121-R2129 PolarHBondContact OE1-NH2 2.94Å; E2121-R2129 IonicContact OE2-CZ 2.73Å; E2121-R2129 IonicContact OE2-NE 3.26Å; E2121-R2129 IonicContact OE2-NH2 2.69Å; E2121-R2129 PolarHBondContact OE2-NH2 3.02Å; C2122-R2129 WeakPolarHBondContact O-CA 2.98Å; I2123-R2129 HydrophobicContact CB-CG 4.42Å; I2123-R2129 HydrophobicContact CD1-CG 4.1Å; I2123-R2129 HydrophobicContact CG1-CG 3.97Å; I2123-R2129 HydrophobicContact CG2-CG 3.92Å |
| 2130 | K | 86.4 | Confident | 78.5 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 151.2 | 163.5 | -75.3 | -75.6 | -170.5 | 160.1 | 0 | 109.1 | V2049 F2051 E2121 C2122 E2343 | V2049-K2130 HydrophobicContact CG1-CB 4.23Å; V2049-K2130 HydrophobicContact CG1-CG 3.91Å; V2049-K2130 VanDerWaalsContact O-CG 3.22Å; V2049-K2130 WeakPolarHBondContact O-CG 3.14Å; F2051-K2130 HydrophobicContact CB-CB 3.73Å; E2121-K2130 WeakPolarHBondContact CA-O 3.3Å; C2122-K2130 PolarHBondContact N-O 3.11Å; C2122-K2130 PolarHBondContact O-N 2.99Å; K2130-E2343 IonicContact NZ-OE1 3.62Å; K2130-E2343 PolarHBondContact NZ-OE1 3.23Å; K2130-E2343 IonicContact NZ-OE2 2.86Å; K2130-E2343 PolarHBondContact NZ-OE2 3.3Å |
| 2131 | T | 86.5 | Confident | 76.7 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138 | -179.2 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | I2120 E2121 | I2120-T2131 CarbonylContact O-C 3.56Å; I2120-T2131 VanDerWaalsContact O-CA 3.26Å; I2120-T2131 WeakPolarHBondContact O-CA 3.24Å; E2121-T2131 HydrophobicContact CG-CG2 4.23Å |
| 2132 | S | 89.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.5 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | P2053 G2054 L2066 I2120 | P2053-S2132 WeakPolarHBondContact O-CB 3.14Å; P2053-S2132 PolarHBondContact O-OG 2.83Å; G2054-S2132 WeakPolarHBondContact O-CA 3.41Å; L2066-S2132 WeakPolarHBondContact CD1-OG 3.19Å; L2066-S2132 WeakPolarHBondContact CD2-OG 3.45Å; I2120-S2132 PolarHBondContact N-O 2.92Å; I2120-S2132 PolarHBondContact O-N 2.96Å |
| 2133 | T | 89.5 | Confident | 72.8 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.6 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | G2054 E2055 L2056 Q2117 I2119 F2135 | G2054-T2133 PolarHBondContact O-N 2.71Å; E2055-T2133 WeakPolarHBondContact CA-O 3.27Å; L2056-T2133 PolarHBondContact N-O 2.79Å; Q2117-T2133 HydrophobicContact CG-CG2 3.85Å; Q2117-T2133 VanDerWaalsContact NE2-CG2 3.35Å; I2119-T2133 HydrophobicContact CG1-CG2 4.06Å; T2133-F2135 HydrophobicContact CG2-CD2 3.9Å; T2133-F2135 HydrophobicContact CG2-CE1 4.26Å; T2133-F2135 HydrophobicContact CG2-CE2 3.33Å; T2133-F2135 HydrophobicContact CG2-CZ 3.55Å |
| 2134 | I | 89.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.1 | 176.2 | -53.9 | 147 | 0 | 0 | 0 | 107.7 | L2056 I2058 F2064 L2066 F2093 L2111 Q2117 I2118 I2120 | L2056-I2134 CarbonylContact O-C 3.57Å; L2056-I2134 WeakPolarHBondContact O-CA 3.14Å; I2058-I2134 HydrophobicContact CD1-CG2 3.98Å; I2058-I2134 HydrophobicContact CG1-CG2 4.28Å; F2064-I2134 HydrophobicContact CE1-CG2 4.5Å; F2064-I2134 HydrophobicContact CE2-CD1 3.63Å; F2064-I2134 HydrophobicContact CE2-CG1 3.96Å; F2064-I2134 HydrophobicContact CE2-CG2 4.46Å; F2064-I2134 HydrophobicContact CZ-CD1 3.72Å; F2064-I2134 HydrophobicContact CZ-CG1 4.23Å; F2064-I2134 HydrophobicContact CZ-CG2 4.12Å; L2066-I2134 HydrophobicContact CD1-CD1 4.2Å; L2066-I2134 HydrophobicContact CD1-CG1 4.44Å; F2093-I2134 HydrophobicContact CE1-CD1 4.48Å; L2111-I2134 HydrophobicContact CD1-CG2 4.41Å; Q2117-I2134 CarbonylContact C-O 3.53Å; Q2117-I2134 VanDerWaalsContact CA-O 3.3Å; Q2117-I2134 WeakPolarHBondContact CA-O 3.45Å; I2118-I2134 HydrophobicContact CB-CD1 4.32Å; I2118-I2134 HydrophobicContact CG2-CD1 4.16Å; I2118-I2134 PolarHBondContact N-O 2.84Å; I2118-I2134 PolarHBondContact O-N 3.17Å; I2120-I2134 HydrophobicContact CD1-CD1 3.81Å; I2120-I2134 HydrophobicContact CG1-CD1 4.36Å |
| 2135 | F | 83.2 | Confident | 71.5 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.4 | 170.2 | -61.9 | -92.8 | 0 | 0 | 0 | 110.5 | E2055 L2056 R2057 I2058 Q2117 T2133 | E2055-F2135 HydrophobicContact CG-CD2 4.34Å; E2055-F2135 HydrophobicContact CG-CE2 4.02Å; L2056-F2135 PolarHBondContact O-N 2.84Å; R2057-F2135 WeakPolarHBondContact CA-O 3.22Å; R2057-F2135 HydrophobicContact CG-CB 4.12Å; R2057-F2135 HydrophobicContact CG-CD2 4.14Å; R2057-F2135 VanDerWaalsContact NH1-CG 3.28Å; R2057-F2135 VanDerWaalsContact NH2-CD2 3.34Å; I2058-F2135 PolarHBondContact N-O 2.01Å; Q2117-F2135 HydrophobicContact CB-CD1 4.22Å; Q2117-F2135 HydrophobicContact CB-CE1 4.47Å; Q2117-F2135 VanDerWaalsContact CD-CE1 3.43Å; Q2117-F2135 HydrophobicContact CG-CD1 3.92Å; Q2117-F2135 HydrophobicContact CG-CE1 3.83Å; Q2117-F2135 HydrophobicContact CG-CZ 4.43Å; T2133-F2135 HydrophobicContact CG2-CD2 3.9Å; T2133-F2135 HydrophobicContact CG2-CE1 4.26Å; T2133-F2135 HydrophobicContact CG2-CE2 3.33Å; T2133-F2135 HydrophobicContact CG2-CZ 3.55Å |
| 2136 | I | 77.2 | Confident | 71.7 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 107.5 | 175.3 | -51.1 | 176.5 | 0 | 0 | 0 | 108.2 | I2058 P2060 L2111 D2112 D2115 R2116 | I2058-I2136 HydrophobicContact CD1-CG1 4.42Å; I2058-I2136 HydrophobicContact CG1-CG1 4.18Å; I2058-I2136 WeakPolarHBondContact O-CA 3.22Å; P2060-I2136 HydrophobicContact CB-CG2 4.3Å; P2060-I2136 HydrophobicContact CG-CG2 3.76Å; L2111-I2136 HydrophobicContact CB-CD1 3.25Å; L2111-I2136 HydrophobicContact CB-CG1 4.44Å; L2111-I2136 HydrophobicContact CD1-CD1 3.99Å; L2111-I2136 HydrophobicContact CG-CD1 4.27Å; D2112-I2136 VanDerWaalsContact O-CD1 3.31Å; D2112-I2136 WeakPolarHBondContact O-CD1 2.82Å; D2115-I2136 HydrophobicContact CB-CD1 3.63Å; D2115-I2136 VanDerWaalsContact O-CD1 3.22Å; D2115-I2136 WeakPolarHBondContact O-CD1 3.43Å; R2116-I2136 PolarHBondContact O-N 3.35Å |
| 2137 | E | 66.4 | Low | 71.9 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | trans | -109.8 | 120.8 | -174 | -67.4 | 176.8 | 161.4 | 0 | 0 | 109.2 | R2057 I2058 G2139 R2310 | R2057-E2137 IonicContact CZ-OE1 3.85Å; R2057-E2137 IonicContact NH1-OE1 3.55Å; R2057-E2137 PolarHBondContact NH1-OE1 3.02Å; R2057-E2137 IonicContact NH1-OE2 2.7Å; I2058-E2137 PolarHBondContact O-N 2.76Å; E2137-G2139 PolarHBondContact O-N 2.77Å; E2137-R2310 IonicContact OE1-NH2 3.92Å; E2137-R2310 PolarHBondContact OE1-NH2 2.81Å; E2137-R2310 IonicContact OE2-CZ 2.74Å; E2137-R2310 IonicContact OE2-NE 3.24Å; E2137-R2310 IonicContact OE2-NH2 3.35Å; E2137-R2310 PolarHBondContact OE2-NH2 3.46Å | ||
| 2138 | L | 61.5 | Low | 71.6 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | trans | -67.4 | 97 | 169.7 | -85.1 | 168.2 | 0 | 0 | 0 | 108.5 | P2060 A2113 R2146 | P2060-L2138 HydrophobicContact CG-CD2 4.13Å; A2113-L2138 HydrophobicContact CB-CD1 3.89Å; A2113-L2138 HydrophobicContact CB-CD2 3.78Å; A2113-L2138 HydrophobicContact CB-CG 3.73Å; L2138-R2146 PolarHBondContact O-NE 3.4Å; L2138-R2146 PolarHBondContact O-NH2 3.3Å; L2138-R2146 VanDerWaalsContact O-NH2 3.07Å | ||
| 2139 | G | 60.5 | Low | 70.8 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | trans | -53.8 | 157.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2137 R2146 | E2137-G2139 PolarHBondContact O-N 2.77Å; G2139-R2146 PolarHBondContact O-NH2 2.82Å | ||
| 2140 | C | 63.1 | Low | 69.9 | Low | 30 Ų | 30 | 50.6 Ų | 50.6 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | trans | -89 | -174.3 | 156.1 | -62.6 | 0 | 0 | 0 | 0 | 108.7 | Q2144 C2152 | C2140-Q2144 HydrophobicContact CB-CB 3.55Å; C2140-C2152 HydrophobicContact CB-CB 3.68Å; C2140-C2152 WeakPolarHBondContact CB-SG 2.99Å; C2140-C2152 WeakPolarHBondContact SG-CB 3.45Å; C2140-C2152 CovalentContact SG-SG 2.03Å; C2140-C2152 PolarHBondContact SG-SG 3.01Å | ||
| 2141 | Q | 54.8 | Low | 69.1 | Low | 133 Ų | 133 | 51.4 Ų | 51.4 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -65.5 | 158.5 | 170.6 | -60.1 | -61.7 | -7.8 | 0 | 0 | 111 | G2143 Q2144 | Q2141-G2143 PolarHBondContact O-N 2.83Å; Q2141-Q2144 HydrophobicContact CB-CG 4.49Å; Q2141-Q2144 WeakPolarHBondContact O-CB 3.15Å; Q2141-Q2144 PolarHBondContact O-N 3.3Å |
| 2142 | P | 48 | Very low | 68.3 | Low | 89 Ų | 89 | 50.4 Ų | 50.4 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 130.4 | 170.9 | -24.4 | 34.9 | 0 | 0 | 0 | 110.8 | ||
| 2143 | G | 49.4 | Very low | 67.4 | Low | 18 Ų | 18 | 50.6 Ų | 50.6 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q2141 F2154 V2155 | Q2141-G2143 PolarHBondContact O-N 2.83Å; G2143-F2154 WeakPolarHBondContact O-CD1 3.11Å; G2143-V2155 WeakPolarHBondContact O-CG2 3.08Å; G2143-V2155 PolarHBondContact O-N 3.11Å |
| 2144 | Q | 66.2 | Low | 66.2 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 152.3 | 175.2 | -65.8 | 178.1 | -12 | 0 | 0 | 113.1 | C2140 Q2141 C2152 I2153 F2154 | C2140-Q2144 HydrophobicContact CB-CB 3.55Å; Q2141-Q2144 HydrophobicContact CB-CG 4.49Å; Q2141-Q2144 WeakPolarHBondContact O-CB 3.15Å; Q2141-Q2144 PolarHBondContact O-N 3.3Å; Q2144-C2152 HydrophobicContact CB-CB 4.5Å; Q2144-I2153 CarbonylContact C-O 3.4Å; Q2144-I2153 WeakPolarHBondContact CA-O 3.09Å; Q2144-I2153 WeakPolarHBondContact CB-O 3.06Å; Q2144-F2154 HydrophobicContact CG-CD1 4.21Å; Q2144-F2154 HydrophobicContact CG-CD2 4.35Å; Q2144-F2154 HydrophobicContact CG-CE1 4.3Å; Q2144-F2154 HydrophobicContact CG-CE2 4.44Å; Q2144-F2154 HydrophobicContact CG-CG 4.24Å; Q2144-F2154 HydrophobicContact CG-CZ 4.41Å |
| 2145 | R | 65.4 | Low | 64.8 | Low | 44 Ų | 44 | 56.2 Ų | 56.2 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.6 | -177.8 | -172.3 | 169.1 | 166.2 | -168.5 | -9 | 110.7 | C2152 I2153 V2155 F2158 N2175 Y2178 | R2145-C2152 WeakPolarHBondContact O-CA 2.93Å; R2145-I2153 PolarHBondContact N-O 2.81Å; R2145-I2153 PolarHBondContact O-N 3.28Å; R2145-V2155 HydrophobicContact CB-CG2 4.42Å; R2145-F2158 HydrophobicContact CB-CD2 3.84Å; R2145-F2158 HydrophobicContact CB-CE2 3.88Å; R2145-F2158 HydrophobicContact CG-CD2 3.83Å; R2145-F2158 HydrophobicContact CG-CE2 3.51Å; R2145-F2158 HydrophobicContact CG-CZ 4.02Å; R2145-F2158 VanDerWaalsContact NH1-CD1 3.26Å; R2145-N2175 PolarHBondContact NH1-O 2.94Å; R2145-N2175 PolarHBondContact NH2-O 3.1Å; R2145-Y2178 PolarHBondContact NH1-O 2.74Å; R2145-Y2178 VanDerWaalsContact NH2-CB 3.31Å |
| 2146 | R | 70.8 | Confident | 63.9 | Low | 97 Ų | 97 | 57.1 Ų | 57.1 | 37% | 0.366 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.7 | -169.7 | -168.5 | 176 | -73.1 | -78 | -1.5 | 112.7 | L2138 G2139 G2150 Q2151 | L2138-R2146 PolarHBondContact O-NE 3.4Å; L2138-R2146 PolarHBondContact O-NH2 3.3Å; L2138-R2146 VanDerWaalsContact O-NH2 3.07Å; G2139-R2146 PolarHBondContact O-NH2 2.82Å; R2146-G2150 PolarHBondContact NH1-O 3.01Å; R2146-Q2151 CarbonylContact C-O 3.56Å; R2146-Q2151 WeakPolarHBondContact CA-O 3.11Å; R2146-Q2151 WeakPolarHBondContact CG-O 3.47Å |
| 2147 | C | 71.6 | Confident | 63.5 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | trans | -75 | 157.9 | 168.4 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | S2149 G2150 Q2151 C2165 | C2147-S2149 PolarHBondContact O-N 3.4Å; C2147-G2150 PolarHBondContact O-N 3.23Å; C2147-Q2151 HydrophobicContact CB-CB 4.1Å; C2147-Q2151 PolarHBondContact N-O 3.46Å; C2147-C2165 HydrophobicContact CB-CB 3.79Å; C2147-C2165 WeakPolarHBondContact CB-SG 3.35Å; C2147-C2165 VanDerWaalsContact SG-CA 3.54Å; C2147-C2165 WeakPolarHBondContact SG-CB 3.47Å; C2147-C2165 CovalentContact SG-SG 2.04Å; C2147-C2165 PolarHBondContact SG-SG 3.11Å | ||
| 2148 | P | 64.4 | Low | 63.5 | Low | 73 Ų | 73 | 56.7 Ų | 56.7 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.6 | 176.9 | -21.5 | 33.9 | 0 | 0 | 0 | 113.7 | G2150 D2167 F2169 | P2148-G2150 PolarHBondContact O-N 3.13Å; P2148-D2167 WeakPolarHBondContact CD-OD1 3.43Å; P2148-F2169 VanDerWaalsContact CD-CB 3.42Å; P2148-F2169 HydrophobicContact CG-CB 3.6Å; P2148-F2169 HydrophobicContact CG-CD1 3.76Å; P2148-F2169 HydrophobicContact CG-CD2 3.21Å; P2148-F2169 HydrophobicContact CG-CE1 4.16Å; P2148-F2169 HydrophobicContact CG-CE2 3.68Å; P2148-F2169 HydrophobicContact CG-CG 3.25Å; P2148-F2169 HydrophobicContact CG-CZ 4.13Å |
| 2149 | S | 61.3 | Low | 63.6 | Low | 65 Ų | 65 | 53.5 Ų | 53.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.3 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | C2147 D2166 | C2147-S2149 PolarHBondContact O-N 3.4Å; S2149-D2166 WeakPolarHBondContact CB-OD2 2.88Å; S2149-D2166 PolarHBondContact OG-OD2 2.77Å |
| 2150 | G | 62.6 | Low | 63.7 | Low | 35 Ų | 35 | 53.9 Ų | 53.9 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 100.3 | -3.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R2146 C2147 P2148 | R2146-G2150 PolarHBondContact NH1-O 3.01Å; C2147-G2150 PolarHBondContact O-N 3.23Å; P2148-G2150 PolarHBondContact O-N 3.13Å |
| 2151 | Q | 68.5 | Low | 63.9 | Low | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -60.6 | 154.5 | 168.5 | -176.4 | -176.6 | -11 | 0 | 0 | 111.5 | R2146 C2147 I2153 D2164 D2166 | R2146-Q2151 CarbonylContact C-O 3.56Å; R2146-Q2151 WeakPolarHBondContact CA-O 3.11Å; R2146-Q2151 WeakPolarHBondContact CG-O 3.47Å; C2147-Q2151 HydrophobicContact CB-CB 4.1Å; C2147-Q2151 PolarHBondContact N-O 3.46Å; Q2151-I2153 HydrophobicContact CG-CG2 4.11Å; Q2151-D2164 PolarHBondContact NE2-O 1.84Å; Q2151-D2166 PolarHBondContact OE1-OD2 3.07Å | ||
| 2152 | C | 71.3 | Confident | 64.5 | Low | 44 Ų | 44 | 53.7 Ų | 53.7 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.9 | 168.7 | -71.7 | 0 | 0 | 0 | 0 | 108.4 | C2140 Q2144 R2145 | C2140-C2152 HydrophobicContact CB-CB 3.68Å; C2140-C2152 WeakPolarHBondContact CB-SG 2.99Å; C2140-C2152 WeakPolarHBondContact SG-CB 3.45Å; C2140-C2152 CovalentContact SG-SG 2.03Å; C2140-C2152 PolarHBondContact SG-SG 3.01Å; Q2144-C2152 HydrophobicContact CB-CB 4.5Å; R2145-C2152 WeakPolarHBondContact O-CA 2.93Å |
| 2153 | I | 70.5 | Confident | 65.8 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 160.7 | 174.1 | 63.4 | 172.6 | 0 | 0 | 0 | 109.6 | Q2144 R2145 Q2151 Q2157 F2158 D2164 D2170 | Q2144-I2153 CarbonylContact C-O 3.4Å; Q2144-I2153 WeakPolarHBondContact CA-O 3.09Å; Q2144-I2153 WeakPolarHBondContact CB-O 3.06Å; R2145-I2153 PolarHBondContact N-O 2.81Å; R2145-I2153 PolarHBondContact O-N 3.28Å; Q2151-I2153 HydrophobicContact CG-CG2 4.11Å; I2153-Q2157 HydrophobicContact CB-CB 4.23Å; I2153-Q2157 HydrophobicContact CD1-CB 4Å; I2153-Q2157 HydrophobicContact CG1-CB 4.37Å; I2153-F2158 HydrophobicContact CD1-CD2 3.64Å; I2153-F2158 HydrophobicContact CD1-CE2 3.93Å; I2153-F2158 HydrophobicContact CG1-CD2 3.88Å; I2153-F2158 HydrophobicContact CG1-CE2 4.12Å; I2153-D2164 HydrophobicContact CD1-CB 4.21Å; I2153-D2164 HydrophobicContact CG2-CB 4.33Å; I2153-D2170 HydrophobicContact CD1-CB 3.87Å |
| 2154 | F | 63.4 | Low | 67.1 | Low | 121 Ų | 121 | 55.3 Ų | 55.3 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 152.6 | 175.2 | -89 | -88.6 | 0 | 0 | 0 | 111.7 | G2143 Q2144 G2156 Q2157 | G2143-F2154 WeakPolarHBondContact O-CD1 3.11Å; Q2144-F2154 HydrophobicContact CG-CD1 4.21Å; Q2144-F2154 HydrophobicContact CG-CD2 4.35Å; Q2144-F2154 HydrophobicContact CG-CE1 4.3Å; Q2144-F2154 HydrophobicContact CG-CE2 4.44Å; Q2144-F2154 HydrophobicContact CG-CG 4.24Å; Q2144-F2154 HydrophobicContact CG-CZ 4.41Å; F2154-G2156 PolarHBondContact O-N 3.45Å; F2154-Q2157 HydrophobicContact CB-CG 4.18Å; F2154-Q2157 WeakPolarHBondContact O-CB 3.34Å; F2154-Q2157 PolarHBondContact O-N 2.69Å |
| 2155 | V | 59.9 | Low | 67.6 | Low | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.127 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60.8 | -34.5 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | G2143 R2145 Q2157 F2158 D2180 T2183 | G2143-V2155 WeakPolarHBondContact O-CG2 3.08Å; G2143-V2155 PolarHBondContact O-N 3.11Å; R2145-V2155 HydrophobicContact CB-CG2 4.42Å; V2155-Q2157 PolarHBondContact O-N 2.83Å; V2155-F2158 WeakPolarHBondContact O-CB 3.42Å; V2155-F2158 PolarHBondContact O-N 3.29Å; V2155-F2158 VanDerWaalsContact O-N 3.08Å; V2155-D2180 HydrophobicContact CG1-CB 3.86Å; V2155-T2183 WeakPolarHBondContact CG1-OG1 3.24Å |
| 2156 | G | 64.4 | Low | 68 | Low | 58 Ų | 58 | 57 Ų | 57 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -69.6 | -10.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F2154 | F2154-G2156 PolarHBondContact O-N 3.45Š|
| 2157 | Q | 69.3 | Low | 68.1 | Low | 59 Ų | 59 | 55.6 Ų | 55.6 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -88.3 | -10.5 | 170.4 | -63.5 | -179 | -88.7 | 0 | 0 | 112.2 | I2153 F2154 V2155 C2159 D2164 | I2153-Q2157 HydrophobicContact CB-CB 4.23Å; I2153-Q2157 HydrophobicContact CD1-CB 4Å; I2153-Q2157 HydrophobicContact CG1-CB 4.37Å; F2154-Q2157 HydrophobicContact CB-CG 4.18Å; F2154-Q2157 WeakPolarHBondContact O-CB 3.34Å; F2154-Q2157 PolarHBondContact O-N 2.69Å; V2155-Q2157 PolarHBondContact O-N 2.83Å; Q2157-C2159 PolarHBondContact O-N 3.27Å; Q2157-D2164 HydrophobicContact CB-CB 4.29Å; Q2157-D2164 WeakPolarHBondContact CB-OD2 3.1Å; Q2157-D2164 WeakPolarHBondContact CG-OD2 3.36Å; Q2157-D2164 PolarHBondContact NE2-OD2 3.16Å |
| 2158 | F | 66.3 | Low | 68.2 | Low | 20 Ų | 20 | 56.4 Ų | 56.4 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 112.7 | 178.3 | -121.4 | -87.4 | 0 | 0 | 0 | 109.8 | R2145 I2153 V2155 F2169 D2170 N2175 | R2145-F2158 HydrophobicContact CB-CD2 3.84Å; R2145-F2158 HydrophobicContact CB-CE2 3.88Å; R2145-F2158 HydrophobicContact CG-CD2 3.83Å; R2145-F2158 HydrophobicContact CG-CE2 3.51Å; R2145-F2158 HydrophobicContact CG-CZ 4.02Å; R2145-F2158 VanDerWaalsContact NH1-CD1 3.26Å; I2153-F2158 HydrophobicContact CD1-CD2 3.64Å; I2153-F2158 HydrophobicContact CD1-CE2 3.93Å; I2153-F2158 HydrophobicContact CG1-CD2 3.88Å; I2153-F2158 HydrophobicContact CG1-CE2 4.12Å; V2155-F2158 WeakPolarHBondContact O-CB 3.42Å; V2155-F2158 PolarHBondContact O-N 3.29Å; V2155-F2158 VanDerWaalsContact O-N 3.08Å; F2158-F2169 AromaticContact CZ-CD1 3.99Å; F2158-F2169 HydrophobicContact CZ-CD1 3.99Å; F2158-F2169 HydrophobicContact CZ-CE1 4.16Å; F2158-D2170 HydrophobicContact CD1-CB 4.08Å; F2158-D2170 HydrophobicContact CD2-CB 4.12Å; F2158-D2170 VanDerWaalsContact CE1-CA 3.45Å; F2158-D2170 HydrophobicContact CE1-CB 4.07Å; F2158-D2170 HydrophobicContact CE2-CB 4.1Å; F2158-D2170 HydrophobicContact CG-CB 4.12Å; F2158-D2170 HydrophobicContact CZ-CB 4.08Å; F2158-N2175 HydrophobicContact CE1-CB 4.1Å |
| 2159 | C | 64.5 | Low | 68.7 | Low | 35 Ų | 35 | 55.3 Ų | 55.3 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 29.1 | 178.4 | -47.5 | 0 | 0 | 0 | 0 | 114.6 | Q2157 G2161 D2170 E2171 C2176 | Q2157-C2159 PolarHBondContact O-N 3.27Å; C2159-G2161 VanDerWaalsContact C-N 3.32Å; C2159-D2170 PolarHBondContact SG-O 3.16Å; C2159-E2171 WeakPolarHBondContact CA-OE1 3Å; C2159-E2171 PolarHBondContact N-OE1 2.98Å; C2159-C2176 HydrophobicContact CB-CB 3.87Å; C2159-C2176 WeakPolarHBondContact CB-SG 2.97Å; C2159-C2176 WeakPolarHBondContact SG-CA 2.81Å; C2159-C2176 WeakPolarHBondContact SG-CB 3.25Å; C2159-C2176 CovalentContact SG-SG 2.03Å; C2159-C2176 PolarHBondContact SG-SG 2.96Å |
| 2160 | D | 63.3 | Low | 69.6 | Low | 56 Ų | 56 | 52.2 Ų | 52.2 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.2 | -24.8 | 175.5 | 121.8 | -60.5 | 0 | 0 | 0 | 111.7 | K2162 E2171 K2197 | D2160-K2162 VanDerWaalsContact OD1-CB 3.24Å; D2160-K2162 WeakPolarHBondContact OD1-CB 2.97Å; D2160-K2162 PolarHBondContact OD1-N 2.02Å; D2160-K2162 IonicContact OD1-NZ 2.79Å; D2160-K2162 PolarHBondContact OD1-NZ 2.82Å; D2160-K2162 IonicContact OD2-NZ 3.2Å; D2160-K2162 PolarHBondContact OD2-NZ 3.22Å; D2160-E2171 PolarHBondContact N-OE1 3.25Å; D2160-K2197 PolarHBondContact O-NZ 2.78Å |
| 2161 | G | 66.5 | Low | 70.3 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 52% | 0.515 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 116.8 | -0.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C2159 E2171 | C2159-G2161 VanDerWaalsContact C-N 3.32Å; G2161-E2171 WeakPolarHBondContact CA-OE2 3.34Å; G2161-E2171 VanDerWaalsContact N-CD 3.34Å; G2161-E2171 PolarHBondContact N-OE1 2.61Å; G2161-E2171 PolarHBondContact N-OE2 2.74Å |
| 2162 | K | 66.9 | Low | 70.6 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -126.7 | 133.2 | 178.9 | -63.3 | -177.5 | -97.6 | 64.4 | 0 | 110.4 | D2160 D2164 E2171 | D2160-K2162 VanDerWaalsContact OD1-CB 3.24Å; D2160-K2162 WeakPolarHBondContact OD1-CB 2.97Å; D2160-K2162 PolarHBondContact OD1-N 2.02Å; D2160-K2162 IonicContact OD1-NZ 2.79Å; D2160-K2162 PolarHBondContact OD1-NZ 2.82Å; D2160-K2162 IonicContact OD2-NZ 3.2Å; D2160-K2162 PolarHBondContact OD2-NZ 3.22Å; K2162-D2164 PolarHBondContact O-N 2.82Å; K2162-D2164 VanDerWaalsContact O-N 3.16Å; K2162-E2171 VanDerWaalsContact C-CG 3.44Å; K2162-E2171 PolarHBondContact N-OE1 3.19Å; K2162-E2171 WeakPolarHBondContact O-CG 3.29Å |
| 2163 | P | 74.5 | Confident | 70.4 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | trans | -76.3 | 101.9 | 173.8 | 30.4 | -32.7 | 0 | 0 | 0 | 110.5 | E2171 | P2163-E2171 HydrophobicContact CB-CG 4.36Š| ||
| 2164 | D | 78.4 | Confident | 69.9 | Low | 54 Ų | 54 | 65 Ų | 65 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | trans | -92.7 | -14.7 | 174 | -79 | -35.4 | 0 | 0 | 0 | 112.5 | Q2151 I2153 Q2157 K2162 D2170 | Q2151-D2164 PolarHBondContact NE2-O 1.84Å; I2153-D2164 HydrophobicContact CD1-CB 4.21Å; I2153-D2164 HydrophobicContact CG2-CB 4.33Å; Q2157-D2164 HydrophobicContact CB-CB 4.29Å; Q2157-D2164 WeakPolarHBondContact CB-OD2 3.1Å; Q2157-D2164 WeakPolarHBondContact CG-OD2 3.36Å; Q2157-D2164 PolarHBondContact NE2-OD2 3.16Å; K2162-D2164 PolarHBondContact O-N 2.82Å; K2162-D2164 VanDerWaalsContact O-N 3.16Å; D2164-D2170 WeakPolarHBondContact CA-OD2 3.4Å; D2164-D2170 PolarHBondContact N-OD2 3.25Å | ||
| 2165 | C | 76.7 | Confident | 69.7 | Low | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.034 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -84.7 | 140 | 163.5 | -69 | 0 | 0 | 0 | 0 | 111.8 | C2147 D2167 G2168 D2170 | C2147-C2165 HydrophobicContact CB-CB 3.79Å; C2147-C2165 WeakPolarHBondContact CB-SG 3.35Å; C2147-C2165 VanDerWaalsContact SG-CA 3.54Å; C2147-C2165 WeakPolarHBondContact SG-CB 3.47Å; C2147-C2165 CovalentContact SG-SG 2.04Å; C2147-C2165 PolarHBondContact SG-SG 3.11Å; C2165-D2167 PolarHBondContact O-N 3.04Å; C2165-G2168 PolarHBondContact O-N 2.72Å; C2165-D2170 HydrophobicContact CB-CB 4.42Å; C2165-D2170 PolarHBondContact N-OD2 3.21Å |
| 2166 | D | 73.4 | Confident | 69.8 | Low | 128 Ų | 128 | 62.2 Ų | 62.2 | 68% | 0.684 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -33.9 | 179.8 | -52.8 | -74.3 | 0 | 0 | 0 | 115.3 | S2149 Q2151 | S2149-D2166 WeakPolarHBondContact CB-OD2 2.88Å; S2149-D2166 PolarHBondContact OG-OD2 2.77Å; Q2151-D2166 PolarHBondContact OE1-OD2 3.07Å |
| 2167 | D | 73.3 | Confident | 69.4 | Low | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.6 | -178.3 | 76.4 | -44.6 | 0 | 0 | 0 | 113.5 | P2148 C2165 F2169 R2172 | P2148-D2167 WeakPolarHBondContact CD-OD1 3.43Å; C2165-D2167 PolarHBondContact O-N 3.04Å; D2167-F2169 PolarHBondContact O-N 3.17Å; D2167-F2169 VanDerWaalsContact OD1-CB 3.22Å; D2167-F2169 WeakPolarHBondContact OD1-CB 2.93Å; D2167-R2172 PolarHBondContact O-NH2 2.93Å; D2167-R2172 IonicContact OD2-CZ 3.45Å; D2167-R2172 IonicContact OD2-NH1 2.62Å; D2167-R2172 IonicContact OD2-NH2 3.15Å; D2167-R2172 PolarHBondContact OD2-NH2 3.3Å |
| 2168 | G | 73 | Confident | 68.6 | Low | 20 Ų | 20 | 69.9 Ų | 69.9 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | 55.3 | 37.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C2165 D2170 R2172 | C2165-G2168 PolarHBondContact O-N 2.72Å; G2168-D2170 VanDerWaalsContact C-OD1 3.23Å; G2168-D2170 WeakPolarHBondContact CA-OD1 3.39Å; G2168-R2172 WeakPolarHBondContact O-CG 3.21Å; G2168-R2172 PolarHBondContact O-NE 2.68Å | ||
| 2169 | F | 75.5 | Confident | 68 | Low | 49 Ų | 49 | 72.1 Ų | 72.1 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | trans | -73.9 | -33.5 | 179.8 | 175.5 | -91.3 | 0 | 0 | 0 | 113 | P2148 F2158 D2167 R2172 N2175 | P2148-F2169 VanDerWaalsContact CD-CB 3.42Å; P2148-F2169 HydrophobicContact CG-CB 3.6Å; P2148-F2169 HydrophobicContact CG-CD1 3.76Å; P2148-F2169 HydrophobicContact CG-CD2 3.21Å; P2148-F2169 HydrophobicContact CG-CE1 4.16Å; P2148-F2169 HydrophobicContact CG-CE2 3.68Å; P2148-F2169 HydrophobicContact CG-CG 3.25Å; P2148-F2169 HydrophobicContact CG-CZ 4.13Å; F2158-F2169 AromaticContact CZ-CD1 3.99Å; F2158-F2169 HydrophobicContact CZ-CD1 3.99Å; F2158-F2169 HydrophobicContact CZ-CE1 4.16Å; D2167-F2169 PolarHBondContact O-N 3.17Å; D2167-F2169 VanDerWaalsContact OD1-CB 3.22Å; D2167-F2169 WeakPolarHBondContact OD1-CB 2.93Å; F2169-R2172 PolarHBondContact O-N 3.11Å; F2169-N2175 WeakPolarHBondContact CD2-ND2 3.42Å; F2169-N2175 HydrophobicContact CE1-CB 4.39Å; F2169-N2175 WeakPolarHBondContact CE1-ND2 3.25Å; F2169-N2175 WeakPolarHBondContact CE2-ND2 3.47Å; F2169-N2175 WeakPolarHBondContact CG-ND2 3.48Å; F2169-N2175 VanDerWaalsContact CZ-CG 3.48Å; F2169-N2175 VanDerWaalsContact CZ-ND2 3.27Å; F2169-N2175 WeakPolarHBondContact CZ-ND2 3.12Å; F2169-N2175 VanDerWaalsContact CZ-OD1 3.23Å; F2169-N2175 WeakPolarHBondContact CZ-OD1 2.81Å; F2169-N2175 WeakPolarHBondContact O-CB 3.39Å; F2169-N2175 PolarHBondContact O-ND2 2.92Å | ||
| 2170 | D | 79.1 | Confident | 67.9 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -53.4 | 169.8 | 45.5 | -0.2 | 0 | 0 | 0 | 112.9 | I2153 F2158 C2159 D2164 C2165 G2168 R2172 | I2153-D2170 HydrophobicContact CD1-CB 3.87Å; F2158-D2170 HydrophobicContact CD1-CB 4.08Å; F2158-D2170 HydrophobicContact CD2-CB 4.12Å; F2158-D2170 VanDerWaalsContact CE1-CA 3.45Å; F2158-D2170 HydrophobicContact CE1-CB 4.07Å; F2158-D2170 HydrophobicContact CE2-CB 4.1Å; F2158-D2170 HydrophobicContact CG-CB 4.12Å; F2158-D2170 HydrophobicContact CZ-CB 4.08Å; C2159-D2170 PolarHBondContact SG-O 3.16Å; D2164-D2170 WeakPolarHBondContact CA-OD2 3.4Å; D2164-D2170 PolarHBondContact N-OD2 3.25Å; C2165-D2170 HydrophobicContact CB-CB 4.42Å; C2165-D2170 PolarHBondContact N-OD2 3.21Å; G2168-D2170 VanDerWaalsContact C-OD1 3.23Å; G2168-D2170 WeakPolarHBondContact CA-OD1 3.39Å; D2170-R2172 PolarHBondContact O-N 2.89Å; D2170-R2172 VanDerWaalsContact O-N 3.1Å |
| 2171 | E | 77.9 | Confident | 68 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 9.4 | -176.8 | -71.3 | -63.5 | 129.1 | 0 | 0 | 114.9 | C2159 D2160 G2161 K2162 P2163 | C2159-E2171 WeakPolarHBondContact CA-OE1 3Å; C2159-E2171 PolarHBondContact N-OE1 2.98Å; D2160-E2171 PolarHBondContact N-OE1 3.25Å; G2161-E2171 WeakPolarHBondContact CA-OE2 3.34Å; G2161-E2171 VanDerWaalsContact N-CD 3.34Å; G2161-E2171 PolarHBondContact N-OE1 2.61Å; G2161-E2171 PolarHBondContact N-OE2 2.74Å; K2162-E2171 VanDerWaalsContact C-CG 3.44Å; K2162-E2171 PolarHBondContact N-OE1 3.19Å; K2162-E2171 WeakPolarHBondContact O-CG 3.29Å; P2163-E2171 HydrophobicContact CB-CG 4.36Å |
| 2172 | R | 74.6 | Confident | 67.9 | Low | 93 Ų | 93 | 68.4 Ų | 68.4 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | trans | -83 | 128.3 | 178.1 | -56.6 | -172 | -169.6 | 157.7 | 12.4 | 110.2 | D2167 G2168 F2169 D2170 E2174 N2175 C2176 | D2167-R2172 PolarHBondContact O-NH2 2.93Å; D2167-R2172 IonicContact OD2-CZ 3.45Å; D2167-R2172 IonicContact OD2-NH1 2.62Å; D2167-R2172 IonicContact OD2-NH2 3.15Å; D2167-R2172 PolarHBondContact OD2-NH2 3.3Å; G2168-R2172 WeakPolarHBondContact O-CG 3.21Å; G2168-R2172 PolarHBondContact O-NE 2.68Å; F2169-R2172 PolarHBondContact O-N 3.11Å; D2170-R2172 PolarHBondContact O-N 2.89Å; D2170-R2172 VanDerWaalsContact O-N 3.1Å; R2172-E2174 PolarHBondContact O-N 2.86Å; R2172-E2174 VanDerWaalsContact O-N 3.08Å; R2172-N2175 HydrophobicContact CB-CB 4.5Å; R2172-N2175 WeakPolarHBondContact O-CA 2.97Å; R2172-N2175 PolarHBondContact O-N 3.13Å; R2172-C2176 PolarHBondContact O-N 2.83Å; R2172-C2176 VanDerWaalsContact O-N 3.07Å; R2172-C2176 PolarHBondContact O-SG 2.91Å | ||
| 2173 | P | 67.1 | Low | 68.1 | Low | 107 Ų | 107 | 64.8 Ų | 64.8 | 70% | 0.695 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -52.1 | -37.7 | 179.2 | -29.6 | 35.8 | 0 | 0 | 0 | 114.2 | N2175 C2176 E2177 | P2173-N2175 PolarHBondContact O-N 3.31Å; P2173-C2176 PolarHBondContact O-N 2.78Å; P2173-C2176 VanDerWaalsContact O-N 3.16Å; P2173-E2177 PolarHBondContact O-N 3.12Å |
| 2174 | E | 59.5 | Low | 68 | Low | 167 Ų | 167 | 63.3 Ų | 63.3 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.7 | -31.7 | 174.6 | -62.8 | 168.3 | -131 | 0 | 0 | 113.6 | R2172 | R2172-E2174 PolarHBondContact O-N 2.86Å; R2172-E2174 VanDerWaalsContact O-N 3.08Å |
| 2175 | N | 60.1 | Low | 67.6 | Low | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -96.1 | -17.9 | 179.5 | -65.9 | -44.7 | 0 | 0 | 0 | 112.9 | R2145 F2158 F2169 R2172 P2173 Y2178 | R2145-N2175 PolarHBondContact NH1-O 2.94Å; R2145-N2175 PolarHBondContact NH2-O 3.1Å; F2158-N2175 HydrophobicContact CE1-CB 4.1Å; F2169-N2175 WeakPolarHBondContact CD2-ND2 3.42Å; F2169-N2175 HydrophobicContact CE1-CB 4.39Å; F2169-N2175 WeakPolarHBondContact CE1-ND2 3.25Å; F2169-N2175 WeakPolarHBondContact CE2-ND2 3.47Å; F2169-N2175 WeakPolarHBondContact CG-ND2 3.48Å; F2169-N2175 VanDerWaalsContact CZ-CG 3.48Å; F2169-N2175 VanDerWaalsContact CZ-ND2 3.27Å; F2169-N2175 WeakPolarHBondContact CZ-ND2 3.12Å; F2169-N2175 VanDerWaalsContact CZ-OD1 3.23Å; F2169-N2175 WeakPolarHBondContact CZ-OD1 2.81Å; F2169-N2175 WeakPolarHBondContact O-CB 3.39Å; F2169-N2175 PolarHBondContact O-ND2 2.92Å; R2172-N2175 HydrophobicContact CB-CB 4.5Å; R2172-N2175 WeakPolarHBondContact O-CA 2.97Å; R2172-N2175 PolarHBondContact O-N 3.13Å; P2173-N2175 PolarHBondContact O-N 3.31Å; N2175-Y2178 WeakPolarHBondContact O-CB 3.46Å; N2175-Y2178 PolarHBondContact O-N 2.79Å |
| 2176 | C | 61.6 | Low | 67.7 | Low | 55 Ų | 55 | 64.9 Ų | 64.9 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.3 | -26.6 | 173.3 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | C2159 R2172 P2173 Y2178 | C2159-C2176 HydrophobicContact CB-CB 3.87Å; C2159-C2176 WeakPolarHBondContact CB-SG 2.97Å; C2159-C2176 WeakPolarHBondContact SG-CA 2.81Å; C2159-C2176 WeakPolarHBondContact SG-CB 3.25Å; C2159-C2176 CovalentContact SG-SG 2.03Å; C2159-C2176 PolarHBondContact SG-SG 2.96Å; R2172-C2176 PolarHBondContact O-N 2.83Å; R2172-C2176 VanDerWaalsContact O-N 3.07Å; R2172-C2176 PolarHBondContact O-SG 2.91Å; P2173-C2176 PolarHBondContact O-N 2.78Å; P2173-C2176 VanDerWaalsContact O-N 3.16Å; C2176-Y2178 PolarHBondContact O-N 2.85Å |
| 2177 | E | 55.5 | Low | 67.9 | Low | 181 Ų | 181 | 64.5 Ų | 64.5 | 85% | 0.846 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -0.4 | 173.3 | -156.2 | 169.6 | -152.5 | 0 | 0 | 112.9 | P2173 C2179 | P2173-E2177 PolarHBondContact O-N 3.12Å; E2177-C2179 PolarHBondContact O-N 2.83Å |
| 2178 | Y | 52.5 | Low | 68.1 | Low | 98 Ų | 98 | 66.5 Ų | 66.5 | 38% | 0.384 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -85.4 | 104.4 | 179.3 | -169.1 | -79.7 | 0 | 0 | 0 | 111.5 | R2145 N2175 C2176 R2310 | R2145-Y2178 PolarHBondContact NH1-O 2.74Å; R2145-Y2178 VanDerWaalsContact NH2-CB 3.31Å; N2175-Y2178 WeakPolarHBondContact O-CB 3.46Å; N2175-Y2178 PolarHBondContact O-N 2.79Å; C2176-Y2178 PolarHBondContact O-N 2.85Å; Y2178-R2310 PolarHBondContact OH-NE 2.03Å; Y2178-R2310 VanDerWaalsContact OH-NE 3.11Å; Y2178-R2310 PolarHBondContact OH-NH1 2.79Å; Y2178-R2310 PolarHBondContact OH-NH2 2.82Å |
| 2179 | C | 54.5 | Low | 68.2 | Low | 66 Ų | 66 | 66.2 Ų | 66.2 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | trans | -57 | 131.9 | -179.6 | 176 | 0 | 0 | 0 | 0 | 114.3 | E2177 C2311 | E2177-C2179 PolarHBondContact O-N 2.83Å; C2179-C2311 HydrophobicContact CB-CB 3.8Å; C2179-C2311 WeakPolarHBondContact CB-SG 3.32Å; C2179-C2311 PolarHBondContact O-SG 2.79Å; C2179-C2311 WeakPolarHBondContact SG-CB 3.07Å; C2179-C2311 CovalentContact SG-SG 2.04Å; C2179-C2311 PolarHBondContact SG-SG 2.84Å | ||
| 2180 | D | 61.6 | Low | 68.2 | Low | 42 Ų | 42 | 71.3 Ų | 71.3 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | trans | -96.1 | 141.2 | 158.4 | -172.1 | -88.3 | 0 | 0 | 0 | 110.5 | V2155 I2182 T2183 | V2155-D2180 HydrophobicContact CG1-CB 3.86Å; D2180-I2182 PolarHBondContact O-N 2.78Å; D2180-I2182 WeakPolarHBondContact OD1-CA 3.33Å; D2180-I2182 WeakPolarHBondContact OD1-CB 3.19Å; D2180-I2182 PolarHBondContact OD1-N 2.79Å; D2180-T2183 PolarHBondContact OD1-N 3.04Å | ||
| 2181 | P | 64.9 | Low | 67.7 | Low | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -68.4 | -15.3 | -179.2 | -24.2 | 37.3 | 0 | 0 | 0 | 115.8 | I2304 R2306 | P2181-I2304 HydrophobicContact CB-CG2 3.91Å; P2181-R2306 HydrophobicContact CB-CG 4.44Å; P2181-R2306 HydrophobicContact CG-CG 4.25Å |
| 2182 | I | 66.4 | Low | 67.5 | Low | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -109.2 | -47.4 | -171.9 | -46.5 | -175.6 | 0 | 0 | 0 | 110.9 | D2180 E2200 L2201 I2304 L2354 | D2180-I2182 PolarHBondContact O-N 2.78Å; D2180-I2182 WeakPolarHBondContact OD1-CA 3.33Å; D2180-I2182 WeakPolarHBondContact OD1-CB 3.19Å; D2180-I2182 PolarHBondContact OD1-N 2.79Å; I2182-E2200 HydrophobicContact CG2-CB 4.22Å; I2182-E2200 HydrophobicContact CG2-CG 4.19Å; I2182-E2200 WeakPolarHBondContact CG2-OE2 3.5Å; I2182-L2201 HydrophobicContact CG2-CB 4.3Å; I2182-L2201 WeakPolarHBondContact O-CB 3.37Å; I2182-L2201 WeakPolarHBondContact O-CD1 3.09Å; I2182-L2201 PolarHBondContact O-N 2.81Å; I2182-I2304 HydrophobicContact CB-CD1 4.32Å; I2182-I2304 HydrophobicContact CG1-CD1 3.94Å; I2182-I2304 HydrophobicContact CG2-CD1 4.22Å; I2182-L2354 HydrophobicContact CD1-CD1 4.33Å; I2182-L2354 HydrophobicContact CG2-CD1 4.14Å |
| 2183 | T | 70.7 | Confident | 67.3 | Low | 34 Ų | 34 | 76 Ų | 76 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135.9 | -178.2 | -50.2 | 0 | 0 | 0 | 0 | 112 | V2155 D2180 T2198 | V2155-T2183 WeakPolarHBondContact CG1-OG1 3.24Å; D2180-T2183 PolarHBondContact OD1-N 3.04Å; T2183-T2198 HydrophobicContact CG2-CG2 4.02Å |
| 2184 | K | 72.5 | Confident | 67.6 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152 | 176.2 | -73.8 | -69.1 | -173.3 | 174 | 0 | 111.7 | T2198 Y2199 L2201 E2315 | K2184-T2198 CarbonylContact O-C 3.58Å; K2184-T2198 WeakPolarHBondContact O-CA 3.41Å; K2184-T2198 WeakPolarHBondContact O-CB 3.04Å; K2184-Y2199 HydrophobicContact CB-CD1 4.47Å; K2184-Y2199 HydrophobicContact CB-CE1 3.79Å; K2184-Y2199 HydrophobicContact CB-CE2 4.11Å; K2184-Y2199 PolarHBondContact N-O 3.06Å; K2184-Y2199 WeakPolarHBondContact O-CD1 3.46Å; K2184-Y2199 PolarHBondContact O-N 2.96Å; K2184-L2201 HydrophobicContact CB-CD1 4.49Å; K2184-L2201 HydrophobicContact CD-CD1 4.31Å; K2184-L2201 HydrophobicContact CG-CD1 3.38Å; K2184-E2315 IonicContact NZ-OE1 3.11Å; K2184-E2315 PolarHBondContact NZ-OE1 3.14Å |
| 2185 | P | 69.8 | Low | 68.5 | Low | 78 Ų | 78 | 74.3 Ų | 74.3 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.2 | -178.5 | 31.9 | -35.4 | 0 | 0 | 0 | 112.3 | Y2199 F2215 | P2185-Y2199 WeakPolarHBondContact O-CE1 3.38Å; P2185-F2215 WeakPolarHBondContact O-CE1 3.47Å |
| 2186 | C | 77.9 | Confident | 68.9 | Low | 15 Ų | 15 | 78.1 Ų | 78.1 | 10% | 0.101 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 131.8 | 167.8 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | P2194 E2196 K2197 C2211 | C2186-P2194 HydrophobicContact CB-CB 3.46Å; C2186-P2194 VanDerWaalsContact CB-CB 3.46Å; C2186-P2194 HydrophobicContact CB-CG 3.62Å; C2186-E2196 WeakPolarHBondContact CB-O 3.42Å; C2186-E2196 PolarHBondContact SG-O 2.67Å; C2186-K2197 PolarHBondContact N-O 3.13Å; C2186-C2211 HydrophobicContact CB-CB 3.67Å; C2186-C2211 WeakPolarHBondContact CB-SG 3.49Å; C2186-C2211 WeakPolarHBondContact SG-CA 3.47Å; C2186-C2211 WeakPolarHBondContact SG-CB 3.27Å; C2186-C2211 CovalentContact SG-SG 2.03Å; C2186-C2211 PolarHBondContact SG-SG 2.74Å |
| 2187 | E | 77.5 | Confident | 69.2 | Low | 120 Ų | 120 | 81.8 Ų | 81.8 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 170 | 175.8 | -57.2 | -177.2 | 178.7 | 0 | 0 | 112.9 | V2189 N2213 F2215 | E2187-V2189 PolarHBondContact O-N 2.59Å; E2187-N2213 PolarHBondContact O-ND2 2.78Å; E2187-F2215 HydrophobicContact CB-CD2 3.88Å; E2187-F2215 HydrophobicContact CB-CE1 4.2Å; E2187-F2215 HydrophobicContact CB-CE2 3.52Å; E2187-F2215 HydrophobicContact CB-CG 4.38Å; E2187-F2215 HydrophobicContact CB-CZ 3.68Å; E2187-F2215 HydrophobicContact CG-CE1 3.98Å; E2187-F2215 HydrophobicContact CG-CE2 3.83Å; E2187-F2215 HydrophobicContact CG-CZ 3.46Å; E2187-F2215 VanDerWaalsContact CG-CZ 3.46Å |
| 2188 | I | 77 | Confident | 69.9 | Low | 110 Ų | 110 | 76.5 Ų | 76.5 | 56% | 0.564 | 41% | 0.407 | S | S | * | . | trans | -81.4 | 95.7 | -176.3 | -55.7 | -177.3 | 0 | 0 | 0 | 111.1 | N2190 I2192 | I2188-N2190 PolarHBondContact O-N 2.83Å; I2188-I2192 WeakPolarHBondContact CG2-O 3.5Å | ||
| 2189 | V | 75.3 | Confident | 70.9 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 119.5 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | E2187 G2191 I2192 N2213 F2215 Q2218 | E2187-V2189 PolarHBondContact O-N 2.59Å; V2189-G2191 PolarHBondContact O-N 2.8Å; V2189-I2192 PolarHBondContact N-O 3.13Å; V2189-I2192 WeakPolarHBondContact O-CB 3.44Å; V2189-I2192 PolarHBondContact O-N 2.98Å; V2189-N2213 HydrophobicContact CB-CB 4.38Å; V2189-N2213 WeakPolarHBondContact CB-O 3.43Å; V2189-N2213 WeakPolarHBondContact CG1-O 3.45Å; V2189-N2213 WeakPolarHBondContact CG2-O 3.36Å; V2189-N2213 PolarHBondContact N-ND2 2.9Å; V2189-F2215 HydrophobicContact CG2-CB 3.7Å; V2189-F2215 HydrophobicContact CG2-CD2 3.87Å; V2189-F2215 HydrophobicContact CG2-CG 4.29Å; V2189-Q2218 VanDerWaalsContact CG2-NE2 3.27Å |
| 2190 | N | 76.4 | Confident | 71.9 | Confident | 155 Ų | 155 | 71.8 Ų | 71.8 | 83% | 0.829 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 23.7 | 172.5 | -63.5 | -53.4 | 0 | 0 | 0 | 115.5 | I2188 | I2188-N2190 PolarHBondContact O-N 2.83Š|
| 2191 | G | 69.4 | Low | 72.5 | Confident | 64 Ų | 64 | 71.6 Ų | 71.6 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -2.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V2189 | V2189-G2191 PolarHBondContact O-N 2.8Š|
| 2192 | I | 73.5 | Confident | 72.8 | Confident | 103 Ų | 103 | 72 Ų | 72 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -84 | 114.4 | 171.3 | -54.7 | 177.5 | 0 | 0 | 0 | 107.8 | I2188 V2189 N2213 | I2188-I2192 WeakPolarHBondContact CG2-O 3.5Å; V2189-I2192 PolarHBondContact N-O 3.13Å; V2189-I2192 WeakPolarHBondContact O-CB 3.44Å; V2189-I2192 PolarHBondContact O-N 2.98Å; I2192-N2213 HydrophobicContact CB-CB 4.22Å; I2192-N2213 HydrophobicContact CG2-CB 3.77Å; I2192-N2213 PolarHBondContact O-ND2 2.98Å |
| 2193 | S | 70.1 | Confident | 73.4 | Confident | 82 Ų | 82 | 76 Ų | 76 | 57% | 0.573 | 40% | 0.395 | S | S | * | . | trans | -66.4 | 139.6 | 171.9 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2194 | P | 73 | Confident | 73.7 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | trans | -66.5 | 153.9 | 178 | 32.1 | -37.2 | 0 | 0 | 0 | 110.7 | C2186 E2196 C2211 | C2186-P2194 HydrophobicContact CB-CB 3.46Å; C2186-P2194 VanDerWaalsContact CB-CB 3.46Å; C2186-P2194 HydrophobicContact CB-CG 3.62Å; P2194-E2196 WeakPolarHBondContact CB-O 3.41Å; P2194-C2211 CarbonylContact C-O 3.57Å; P2194-C2211 WeakPolarHBondContact CA-O 3.13Å; P2194-C2211 HydrophobicContact CB-CB 4.15Å; P2194-C2211 WeakPolarHBondContact CB-O 3.24Å | ||
| 2195 | R | 77.5 | Confident | 73.9 | Confident | 206 Ų | 206 | 74 Ų | 74 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -79.8 | -50 | -180 | -173.8 | 178.1 | -177.8 | 177.5 | -1.5 | 110.9 | C2211 | R2195-C2211 PolarHBondContact N-O 2.03Š|
| 2196 | E | 70.2 | Confident | 74.1 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -94.4 | 150.7 | 169.1 | -57.8 | -49.1 | 137.4 | 0 | 0 | 110.5 | C2186 P2194 D2210 | C2186-E2196 WeakPolarHBondContact CB-O 3.42Å; C2186-E2196 PolarHBondContact SG-O 2.67Å; P2194-E2196 WeakPolarHBondContact CB-O 3.41Å; E2196-D2210 WeakPolarHBondContact CG-O 3.34Å |
| 2197 | K | 67.5 | Low | 73.9 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -76.5 | -28 | -176.3 | -64 | 173.4 | -177.6 | 171.8 | 0 | 113.1 | D2160 C2186 | D2160-K2197 PolarHBondContact O-NZ 2.78Å; C2186-K2197 PolarHBondContact N-O 3.13Å |
| 2198 | T | 69.1 | Low | 73.9 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 150.1 | -165 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | T2183 K2184 | T2183-T2198 HydrophobicContact CG2-CG2 4.02Å; K2184-T2198 CarbonylContact O-C 3.58Å; K2184-T2198 WeakPolarHBondContact O-CA 3.41Å; K2184-T2198 WeakPolarHBondContact O-CB 3.04Å |
| 2199 | Y | 74.4 | Confident | 74 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 8% | 0.078 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.1 | 174.6 | 68.3 | -83.5 | 0 | 0 | 0 | 110 | K2184 P2185 R2204 F2215 | K2184-Y2199 HydrophobicContact CB-CD1 4.47Å; K2184-Y2199 HydrophobicContact CB-CE1 3.79Å; K2184-Y2199 HydrophobicContact CB-CE2 4.11Å; K2184-Y2199 PolarHBondContact N-O 3.06Å; K2184-Y2199 WeakPolarHBondContact O-CD1 3.46Å; K2184-Y2199 PolarHBondContact O-N 2.96Å; P2185-Y2199 WeakPolarHBondContact O-CE1 3.38Å; Y2199-R2204 HydrophobicContact CD2-CB 4.38Å; Y2199-R2204 HydrophobicContact CE2-CB 3.83Å; Y2199-R2204 HydrophobicContact CE2-CG 4.24Å; Y2199-F2215 AromaticContact CE1-CD1 3.99Å; Y2199-F2215 HydrophobicContact CE1-CD1 3.99Å; Y2199-F2215 HydrophobicContact CE1-CE1 4.02Å |
| 2200 | E | 75.7 | Confident | 74.2 | Confident | 46 Ų | 46 | 67 Ų | 67 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142.6 | 169.1 | -81.8 | -152.8 | -163.1 | 0 | 0 | 111.2 | I2182 H2202 W2203 R2359 | I2182-E2200 HydrophobicContact CG2-CB 4.22Å; I2182-E2200 HydrophobicContact CG2-CG 4.19Å; I2182-E2200 WeakPolarHBondContact CG2-OE2 3.5Å; E2200-H2202 PolarHBondContact O-N 3.09Å; E2200-H2202 IonicContact OE2-CE1 2.76Å; E2200-H2202 PolarHBondContact OE2-CE1 2.86Å; E2200-H2202 IonicContact OE2-ND1 3.8Å; E2200-H2202 PolarHBondContact OE2-ND1 2.97Å; E2200-W2203 HydrophobicContact CB-CD2 3.94Å; E2200-W2203 HydrophobicContact CB-CE3 4.25Å; E2200-W2203 HydrophobicContact CB-CG 4.36Å; E2200-W2203 HydrophobicContact CB-CZ2 4.29Å; E2200-W2203 HydrophobicContact CG-CH2 4.48Å; E2200-W2203 HydrophobicContact CG-CZ2 4.33Å; E2200-W2203 VanDerWaalsContact N-CE3 3.35Å; E2200-W2203 PolarHBondContact O-N 3.07Å; E2200-R2359 IonicContact OE1-NH2 3.17Å; E2200-R2359 IonicContact OE2-NH2 2.91Å; E2200-R2359 PolarHBondContact OE2-NH2 3.19Å |
| 2201 | L | 73.4 | Confident | 74.4 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -47.6 | -41.4 | -178.7 | -131.1 | 88.7 | 0 | 0 | 0 | 112.1 | I2182 K2184 W2203 R2204 M2302 I2304 | I2182-L2201 HydrophobicContact CG2-CB 4.3Å; I2182-L2201 WeakPolarHBondContact O-CB 3.37Å; I2182-L2201 WeakPolarHBondContact O-CD1 3.09Å; I2182-L2201 PolarHBondContact O-N 2.81Å; K2184-L2201 HydrophobicContact CB-CD1 4.49Å; K2184-L2201 HydrophobicContact CD-CD1 4.31Å; K2184-L2201 HydrophobicContact CG-CD1 3.38Å; L2201-W2203 VanDerWaalsContact C-N 3.26Å; L2201-W2203 PolarHBondContact O-N 2.68Å; L2201-R2204 VanDerWaalsContact O-CB 3.27Å; L2201-R2204 WeakPolarHBondContact O-CB 3.09Å; L2201-R2204 PolarHBondContact O-N 2.84Å; L2201-R2204 VanDerWaalsContact O-N 3.15Å; L2201-M2302 HydrophobicContact CB-SD 4.04Å; L2201-M2302 HydrophobicContact CD2-SD 3.97Å; L2201-M2302 HydrophobicContact CG-SD 4.16Å; L2201-M2302 WeakPolarHBondContact O-CE 3.38Å; L2201-I2304 HydrophobicContact CB-CD1 3.92Å; L2201-I2304 HydrophobicContact CD2-CD1 3.73Å; L2201-I2304 HydrophobicContact CD2-CG1 3.77Å; L2201-I2304 HydrophobicContact CG-CD1 4.38Å |
| 2202 | H | 72.2 | Confident | 74.9 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.111 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -68.6 | -18.9 | -173.5 | 84.8 | -94.2 | 0 | 0 | 0 | 114.4 | E2200 R2225 L2354 | E2200-H2202 PolarHBondContact O-N 3.09Å; E2200-H2202 IonicContact OE2-CE1 2.76Å; E2200-H2202 PolarHBondContact OE2-CE1 2.86Å; E2200-H2202 IonicContact OE2-ND1 3.8Å; E2200-H2202 PolarHBondContact OE2-ND1 2.97Å; H2202-R2225 VanDerWaalsContact O-CZ 3.31Å; H2202-R2225 PolarHBondContact O-NH1 2.93Å; H2202-R2225 PolarHBondContact O-NH2 3.34Å; H2202-L2354 HydrophobicContact CB-CB 4.35Å; H2202-L2354 HydrophobicContact CB-CD1 4.2Å |
| 2203 | W | 78.6 | Confident | 75.4 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -78.3 | -27.8 | 173.5 | -54.1 | -27 | 0 | 0 | 0 | 112.4 | E2200 L2201 C2205 D2206 D2210 | E2200-W2203 HydrophobicContact CB-CD2 3.94Å; E2200-W2203 HydrophobicContact CB-CE3 4.25Å; E2200-W2203 HydrophobicContact CB-CG 4.36Å; E2200-W2203 HydrophobicContact CB-CZ2 4.29Å; E2200-W2203 HydrophobicContact CG-CH2 4.48Å; E2200-W2203 HydrophobicContact CG-CZ2 4.33Å; E2200-W2203 VanDerWaalsContact N-CE3 3.35Å; E2200-W2203 PolarHBondContact O-N 3.07Å; L2201-W2203 VanDerWaalsContact C-N 3.26Å; L2201-W2203 PolarHBondContact O-N 2.68Å; W2203-C2205 PolarHBondContact O-N 3.25Å; W2203-D2206 WeakPolarHBondContact CA-OD2 3.37Å; W2203-D2206 VanDerWaalsContact O-CB 3.26Å; W2203-D2206 WeakPolarHBondContact O-CB 3.47Å; W2203-D2206 PolarHBondContact O-N 2.71Å; W2203-D2210 VanDerWaalsContact CB-OD2 3.29Å; W2203-D2210 WeakPolarHBondContact CB-OD2 3.48Å; W2203-D2210 HydrophobicContact CE3-CB 4.03Å; W2203-D2210 HydrophobicContact CZ3-CB 4.49Å |
| 2204 | R | 77.8 | Confident | 75.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 110.7 | -174.4 | -169.3 | -172.6 | 168.5 | -84.1 | -15.1 | 113.1 | Y2199 L2201 D2216 Q2218 N2219 R2225 | Y2199-R2204 HydrophobicContact CD2-CB 4.38Å; Y2199-R2204 HydrophobicContact CE2-CB 3.83Å; Y2199-R2204 HydrophobicContact CE2-CG 4.24Å; L2201-R2204 VanDerWaalsContact O-CB 3.27Å; L2201-R2204 WeakPolarHBondContact O-CB 3.09Å; L2201-R2204 PolarHBondContact O-N 2.84Å; L2201-R2204 VanDerWaalsContact O-N 3.15Å; R2204-D2216 VanDerWaalsContact CG-O 3.24Å; R2204-D2216 WeakPolarHBondContact CG-O 3.34Å; R2204-Q2218 PolarHBondContact NH2-O 2.8Å; R2204-N2219 VanDerWaalsContact NH2-C 3.34Å; R2204-N2219 PolarHBondContact NH2-O 3.35Å; R2204-R2225 VanDerWaalsContact C-NH2 3.34Å; R2204-R2225 PolarHBondContact O-NH2 3.2Å |
| 2205 | C | 75.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 34 | -175.5 | -61.1 | 0 | 0 | 0 | 0 | 114.6 | W2203 D2216 E2217 C2220 R2225 T2234 | W2203-C2205 PolarHBondContact O-N 3.25Å; C2205-D2216 PolarHBondContact SG-O 2.81Å; C2205-E2217 VanDerWaalsContact C-OE1 3.23Å; C2205-E2217 WeakPolarHBondContact CA-OE1 3.25Å; C2205-E2217 PolarHBondContact N-OE1 2.87Å; C2205-E2217 VanDerWaalsContact N-OE1 3.13Å; C2205-C2220 HydrophobicContact CB-CB 3.54Å; C2205-C2220 WeakPolarHBondContact CB-SG 3.28Å; C2205-C2220 WeakPolarHBondContact SG-CA 3.21Å; C2205-C2220 WeakPolarHBondContact SG-CB 3.27Å; C2205-C2220 CovalentContact SG-SG 2.03Å; C2205-C2220 PolarHBondContact SG-SG 3.06Å; C2205-R2225 PolarHBondContact O-NH2 2.89Å; C2205-T2234 HydrophobicContact CB-CG2 3.99Å; C2205-T2234 WeakPolarHBondContact O-CB 3.49Å; C2205-T2234 VanDerWaalsContact O-CG2 3.25Å; C2205-T2234 WeakPolarHBondContact O-CG2 3.19Å |
| 2206 | D | 73.7 | Confident | 76.3 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -94.5 | -12.4 | 171.4 | 81.8 | 7.7 | 0 | 0 | 0 | 114.1 | W2203 E2208 E2217 T2234 P2247 F2248 | W2203-D2206 WeakPolarHBondContact CA-OD2 3.37Å; W2203-D2206 VanDerWaalsContact O-CB 3.26Å; W2203-D2206 WeakPolarHBondContact O-CB 3.47Å; W2203-D2206 PolarHBondContact O-N 2.71Å; D2206-E2208 PolarHBondContact OD1-N 2.74Å; D2206-E2217 PolarHBondContact N-OE1 2.96Å; D2206-T2234 CarbonylContact C-O 3.6Å; D2206-P2247 CarbonylContact O-C 3.56Å; D2206-P2247 WeakPolarHBondContact O-CA 3.45Å; D2206-P2247 VanDerWaalsContact O-CB 3.25Å; D2206-P2247 WeakPolarHBondContact O-CB 3.2Å; D2206-F2248 HydrophobicContact CB-CB 3.91Å; D2206-F2248 PolarHBondContact O-N 3.13Å |
| 2207 | G | 74.5 | Confident | 76.6 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 104.8 | -5.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | E2217 | G2207-E2217 WeakPolarHBondContact CA-OE2 3.41Å; G2207-E2217 VanDerWaalsContact N-CD 3.33Å; G2207-E2217 PolarHBondContact N-OE1 3.3Å; G2207-E2217 PolarHBondContact N-OE2 2.82Å |
| 2208 | E | 76.9 | Confident | 77 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | trans | -79.7 | -170.1 | 168.4 | -64 | -83.5 | 78.1 | 0 | 0 | 111.2 | D2206 E2217 A2249 Y2250 | D2206-E2208 PolarHBondContact OD1-N 2.74Å; E2208-E2217 WeakPolarHBondContact O-CG 3.28Å; E2208-A2249 HydrophobicContact CG-CB 4.12Å; E2208-Y2250 HydrophobicContact CG-CE2 4.4Å; E2208-Y2250 PolarHBondContact OE2-OH 3.11Å | ||
| 2209 | D | 80.2 | Confident | 77 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | trans | -140.7 | 57.4 | -177.5 | -165 | -18.5 | 0 | 0 | 0 | 109.1 | C2211 G2212 N2213 R2214 | D2209-C2211 PolarHBondContact O-N 2.8Å; D2209-G2212 WeakPolarHBondContact O-CA 3.23Å; D2209-G2212 PolarHBondContact O-N 2.74Å; D2209-G2212 VanDerWaalsContact OD1-C 3.29Å; D2209-G2212 VanDerWaalsContact OD1-CA 3.3Å; D2209-G2212 WeakPolarHBondContact OD1-CA 3.26Å; D2209-G2212 PolarHBondContact OD1-N 2.9Å; D2209-N2213 PolarHBondContact OD1-N 3.5Å; D2209-N2213 VanDerWaalsContact OD1-N 3.1Å; D2209-R2214 HydrophobicContact CB-CG 4.44Å; D2209-R2214 VanDerWaalsContact OD1-CG 3.32Å; D2209-R2214 WeakPolarHBondContact OD1-CG 3.33Å; D2209-R2214 PolarHBondContact OD1-N 2.83Å; D2209-R2214 WeakPolarHBondContact OD2-CG 3.28Å; D2209-R2214 IonicContact OD2-CZ 2.71Å; D2209-R2214 IonicContact OD2-NE 2.79Å; D2209-R2214 PolarHBondContact OD2-NE 3.11Å; D2209-R2214 IonicContact OD2-NH2 3.88Å | ||
| 2210 | D | 78.5 | Confident | 76.8 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -45.3 | -169.3 | -49.9 | -67.2 | 0 | 0 | 0 | 112.4 | E2196 W2203 G2212 D2216 | E2196-D2210 WeakPolarHBondContact CG-O 3.34Å; W2203-D2210 VanDerWaalsContact CB-OD2 3.29Å; W2203-D2210 WeakPolarHBondContact CB-OD2 3.48Å; W2203-D2210 HydrophobicContact CE3-CB 4.03Å; W2203-D2210 HydrophobicContact CZ3-CB 4.49Å; D2210-G2212 PolarHBondContact O-N 2.92Å; D2210-G2212 VanDerWaalsContact O-N 3.14Å; D2210-D2216 PolarHBondContact N-OD2 3.13Å |
| 2211 | C | 81.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.1 | 173.6 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | C2186 P2194 R2195 D2209 N2213 F2215 D2216 | C2186-C2211 HydrophobicContact CB-CB 3.67Å; C2186-C2211 WeakPolarHBondContact CB-SG 3.49Å; C2186-C2211 WeakPolarHBondContact SG-CA 3.47Å; C2186-C2211 WeakPolarHBondContact SG-CB 3.27Å; C2186-C2211 CovalentContact SG-SG 2.03Å; C2186-C2211 PolarHBondContact SG-SG 2.74Å; P2194-C2211 CarbonylContact C-O 3.57Å; P2194-C2211 WeakPolarHBondContact CA-O 3.13Å; P2194-C2211 HydrophobicContact CB-CB 4.15Å; P2194-C2211 WeakPolarHBondContact CB-O 3.24Å; R2195-C2211 PolarHBondContact N-O 2.03Å; D2209-C2211 PolarHBondContact O-N 2.8Å; C2211-N2213 WeakPolarHBondContact CB-OD1 3.34Å; C2211-N2213 PolarHBondContact O-N 3.28Å; C2211-F2215 HydrophobicContact CB-CB 4.1Å; C2211-D2216 WeakPolarHBondContact CB-OD2 3.35Å; C2211-D2216 PolarHBondContact N-OD2 2.85Å; C2211-D2216 PolarHBondContact SG-OD2 3Å |
| 2212 | G | 80.1 | Confident | 75.4 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 61.9 | 12.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D2209 D2210 | D2209-G2212 WeakPolarHBondContact O-CA 3.23Å; D2209-G2212 PolarHBondContact O-N 2.74Å; D2209-G2212 VanDerWaalsContact OD1-C 3.29Å; D2209-G2212 VanDerWaalsContact OD1-CA 3.3Å; D2209-G2212 WeakPolarHBondContact OD1-CA 3.26Å; D2209-G2212 PolarHBondContact OD1-N 2.9Å; D2210-G2212 PolarHBondContact O-N 2.92Å; D2210-G2212 VanDerWaalsContact O-N 3.14Å |
| 2213 | N | 82.5 | Confident | 75.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -140.8 | 12.3 | 175.8 | 76.7 | -11.2 | 0 | 0 | 0 | 112.7 | E2187 V2189 I2192 D2209 C2211 F2215 | E2187-N2213 PolarHBondContact O-ND2 2.78Å; V2189-N2213 HydrophobicContact CB-CB 4.38Å; V2189-N2213 WeakPolarHBondContact CB-O 3.43Å; V2189-N2213 WeakPolarHBondContact CG1-O 3.45Å; V2189-N2213 WeakPolarHBondContact CG2-O 3.36Å; V2189-N2213 PolarHBondContact N-ND2 2.9Å; I2192-N2213 HydrophobicContact CB-CB 4.22Å; I2192-N2213 HydrophobicContact CG2-CB 3.77Å; I2192-N2213 PolarHBondContact O-ND2 2.98Å; D2209-N2213 PolarHBondContact OD1-N 3.5Å; D2209-N2213 VanDerWaalsContact OD1-N 3.1Å; C2211-N2213 WeakPolarHBondContact CB-OD1 3.34Å; C2211-N2213 PolarHBondContact O-N 3.28Å; N2213-F2215 WeakPolarHBondContact OD1-CB 3.46Å; N2213-F2215 PolarHBondContact OD1-N 3.32Å |
| 2214 | R | 77.5 | Confident | 74.4 | Confident | 159 Ų | 159 | 51.6 Ų | 51.6 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 60.9 | 34.2 | 179.4 | -56.5 | -178.1 | 178.3 | -147.4 | -14.2 | 115.6 | D2209 D2216 E2217 Q2218 | D2209-R2214 HydrophobicContact CB-CG 4.44Å; D2209-R2214 VanDerWaalsContact OD1-CG 3.32Å; D2209-R2214 WeakPolarHBondContact OD1-CG 3.33Å; D2209-R2214 PolarHBondContact OD1-N 2.83Å; D2209-R2214 WeakPolarHBondContact OD2-CG 3.28Å; D2209-R2214 IonicContact OD2-CZ 2.71Å; D2209-R2214 IonicContact OD2-NE 2.79Å; D2209-R2214 PolarHBondContact OD2-NE 3.11Å; D2209-R2214 IonicContact OD2-NH2 3.88Å; R2214-D2216 WeakPolarHBondContact CA-OD1 3.42Å; R2214-E2217 HydrophobicContact CB-CB 4.36Å; R2214-Q2218 WeakPolarHBondContact O-CG 3.23Å; R2214-Q2218 PolarHBondContact O-NE2 3.32Å |
| 2215 | F | 82.9 | Confident | 74 | Confident | 48 Ų | 48 | 50 Ų | 50 | 21% | 0.211 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -71.6 | -52.2 | 178.9 | 178.5 | -109 | 0 | 0 | 0 | 112 | P2185 E2187 V2189 Y2199 C2211 N2213 E2217 Q2218 | P2185-F2215 WeakPolarHBondContact O-CE1 3.47Å; E2187-F2215 HydrophobicContact CB-CD2 3.88Å; E2187-F2215 HydrophobicContact CB-CE1 4.2Å; E2187-F2215 HydrophobicContact CB-CE2 3.52Å; E2187-F2215 HydrophobicContact CB-CG 4.38Å; E2187-F2215 HydrophobicContact CB-CZ 3.68Å; E2187-F2215 HydrophobicContact CG-CE1 3.98Å; E2187-F2215 HydrophobicContact CG-CE2 3.83Å; E2187-F2215 HydrophobicContact CG-CZ 3.46Å; E2187-F2215 VanDerWaalsContact CG-CZ 3.46Å; V2189-F2215 HydrophobicContact CG2-CB 3.7Å; V2189-F2215 HydrophobicContact CG2-CD2 3.87Å; V2189-F2215 HydrophobicContact CG2-CG 4.29Å; Y2199-F2215 AromaticContact CE1-CD1 3.99Å; Y2199-F2215 HydrophobicContact CE1-CD1 3.99Å; Y2199-F2215 HydrophobicContact CE1-CE1 4.02Å; C2211-F2215 HydrophobicContact CB-CB 4.1Å; N2213-F2215 WeakPolarHBondContact OD1-CB 3.46Å; N2213-F2215 PolarHBondContact OD1-N 3.32Å; F2215-E2217 PolarHBondContact O-N 2.02Å; F2215-Q2218 PolarHBondContact O-N 2.75Å |
| 2216 | D | 79.4 | Confident | 73.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -33.5 | -59.7 | 159.4 | 33.1 | 44.6 | 0 | 0 | 0 | 114.2 | R2204 C2205 D2210 C2211 R2214 Q2218 | R2204-D2216 VanDerWaalsContact CG-O 3.24Å; R2204-D2216 WeakPolarHBondContact CG-O 3.34Å; C2205-D2216 PolarHBondContact SG-O 2.81Å; D2210-D2216 PolarHBondContact N-OD2 3.13Å; C2211-D2216 WeakPolarHBondContact CB-OD2 3.35Å; C2211-D2216 PolarHBondContact N-OD2 2.85Å; C2211-D2216 PolarHBondContact SG-OD2 3Å; R2214-D2216 WeakPolarHBondContact CA-OD1 3.42Å; D2216-Q2218 PolarHBondContact O-N 2.77Å; D2216-Q2218 VanDerWaalsContact O-N 3.12Å |
| 2217 | E | 77.8 | Confident | 72.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 5.7 | -174.4 | -74 | -58.7 | 113.5 | 0 | 0 | 114.7 | C2205 D2206 G2207 E2208 R2214 F2215 C2220 | C2205-E2217 VanDerWaalsContact C-OE1 3.23Å; C2205-E2217 WeakPolarHBondContact CA-OE1 3.25Å; C2205-E2217 PolarHBondContact N-OE1 2.87Å; C2205-E2217 VanDerWaalsContact N-OE1 3.13Å; D2206-E2217 PolarHBondContact N-OE1 2.96Å; G2207-E2217 WeakPolarHBondContact CA-OE2 3.41Å; G2207-E2217 VanDerWaalsContact N-CD 3.33Å; G2207-E2217 PolarHBondContact N-OE1 3.3Å; G2207-E2217 PolarHBondContact N-OE2 2.82Å; E2208-E2217 WeakPolarHBondContact O-CG 3.28Å; R2214-E2217 HydrophobicContact CB-CB 4.36Å; F2215-E2217 PolarHBondContact O-N 2.02Å; E2217-C2220 PolarHBondContact O-SG 2.88Å; E2217-C2220 VanDerWaalsContact O-SG 3.36Å |
| 2218 | Q | 74.9 | Confident | 71.3 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -98.3 | 140.6 | 178.2 | -83.6 | 172.8 | 83.8 | 0 | 0 | 113.6 | V2189 R2204 R2214 F2215 D2216 | V2189-Q2218 VanDerWaalsContact CG2-NE2 3.27Å; R2204-Q2218 PolarHBondContact NH2-O 2.8Å; R2214-Q2218 WeakPolarHBondContact O-CG 3.23Å; R2214-Q2218 PolarHBondContact O-NE2 3.32Å; F2215-Q2218 PolarHBondContact O-N 2.75Å; D2216-Q2218 PolarHBondContact O-N 2.77Å; D2216-Q2218 VanDerWaalsContact O-N 3.12Å |
| 2219 | N | 70.3 | Confident | 70.2 | Confident | 125 Ų | 125 | 60.6 Ų | 60.6 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | trans | 59.8 | 46.3 | 179.1 | -61.2 | -56.2 | 0 | 0 | 0 | 114.5 | R2204 L2221 N2222 | R2204-N2219 VanDerWaalsContact NH2-C 3.34Å; R2204-N2219 PolarHBondContact NH2-O 3.35Å; N2219-L2221 PolarHBondContact O-N 3.06Å; N2219-N2222 PolarHBondContact O-N 2.75Å | ||
| 2220 | C | 68.5 | Low | 69 | Low | 39 Ų | 39 | 66.2 Ų | 66.2 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -61.8 | -12.5 | 179 | -55.2 | 0 | 0 | 0 | 0 | 115.8 | C2205 E2217 N2222 D2223 T2234 | C2205-C2220 HydrophobicContact CB-CB 3.54Å; C2205-C2220 WeakPolarHBondContact CB-SG 3.28Å; C2205-C2220 WeakPolarHBondContact SG-CA 3.21Å; C2205-C2220 WeakPolarHBondContact SG-CB 3.27Å; C2205-C2220 CovalentContact SG-SG 2.03Å; C2205-C2220 PolarHBondContact SG-SG 3.06Å; E2217-C2220 PolarHBondContact O-SG 2.88Å; E2217-C2220 VanDerWaalsContact O-SG 3.36Å; C2220-N2222 PolarHBondContact O-N 2.85Å; C2220-D2223 PolarHBondContact O-N 3.17Å; C2220-T2234 HydrophobicContact CB-CG2 4.23Å |
| 2221 | L | 62 | Low | 68.1 | Low | 155 Ų | 155 | 65.6 Ų | 65.6 | 81% | 0.812 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -59.4 | -11.3 | 173.8 | -66 | 171.3 | 0 | 0 | 0 | 114.8 | N2219 | N2219-L2221 PolarHBondContact O-N 3.06Š|
| 2222 | N | 57.8 | Low | 66.5 | Low | 118 Ų | 118 | 68.6 Ų | 68.6 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -109 | 7.2 | 177.1 | -72.2 | -24.4 | 0 | 0 | 0 | 114 | N2219 C2220 | N2219-N2222 PolarHBondContact O-N 2.75Å; C2220-N2222 PolarHBondContact O-N 2.85Å |
| 2223 | D | 65.7 | Low | 65.4 | Low | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | trans | -62 | 141.4 | 175.8 | -170.4 | -5.6 | 0 | 0 | 0 | 111.1 | C2220 R2225 M2302 A2322 | C2220-D2223 PolarHBondContact O-N 3.17Å; D2223-R2225 PolarHBondContact OD1-N 2.02Å; D2223-R2225 IonicContact OD1-NE 3.93Å; D2223-R2225 IonicContact OD2-CZ 3.35Å; D2223-R2225 IonicContact OD2-NE 2.92Å; D2223-R2225 PolarHBondContact OD2-NE 3.03Å; D2223-R2225 IonicContact OD2-NH2 3.26Å; D2223-M2302 WeakPolarHBondContact OD1-CE 2.97Å; D2223-A2322 VanDerWaalsContact O-CB 3.23Å; D2223-A2322 WeakPolarHBondContact O-CB 3.38Å | ||
| 2224 | T | 65.1 | Low | 64.4 | Low | 20 Ų | 20 | 70.4 Ų | 70.4 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -78.5 | -19.6 | 174.7 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | M2302 I2303 | T2224-M2302 WeakPolarHBondContact OG1-CG 3.36Å; T2224-I2303 PolarHBondContact OG1-N 3.35Å; T2224-I2303 VanDerWaalsContact OG1-N 3.11Å |
| 2225 | R | 68.9 | Low | 64.1 | Low | 16 Ų | 16 | 66 Ų | 66 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -57.6 | -58.3 | 178.3 | -70.5 | -171 | -84.8 | -153.7 | -9.9 | 111.9 | H2202 R2204 C2205 D2223 P2300 M2302 S2332 | H2202-R2225 VanDerWaalsContact O-CZ 3.31Å; H2202-R2225 PolarHBondContact O-NH1 2.93Å; H2202-R2225 PolarHBondContact O-NH2 3.34Å; R2204-R2225 VanDerWaalsContact C-NH2 3.34Å; R2204-R2225 PolarHBondContact O-NH2 3.2Å; C2205-R2225 PolarHBondContact O-NH2 2.89Å; D2223-R2225 PolarHBondContact OD1-N 2.02Å; D2223-R2225 IonicContact OD1-NE 3.93Å; D2223-R2225 IonicContact OD2-CZ 3.35Å; D2223-R2225 IonicContact OD2-NE 2.92Å; D2223-R2225 PolarHBondContact OD2-NE 3.03Å; D2223-R2225 IonicContact OD2-NH2 3.26Å; R2225-P2300 WeakPolarHBondContact CD-O 2.98Å; R2225-P2300 WeakPolarHBondContact CG-O 3.04Å; R2225-M2302 HydrophobicContact CG-CB 3.87Å; R2225-M2302 HydrophobicContact CG-CE 4.05Å; R2225-M2302 HydrophobicContact CG-CG 4.28Å; R2225-S2332 VanDerWaalsContact O-CB 3.29Å; R2225-S2332 WeakPolarHBondContact O-CB 3.37Å; R2225-S2332 PolarHBondContact O-OG 3.35Å |
| 2226 | V | 58.8 | Low | 63.7 | Low | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | trans | -144.3 | 100.8 | -178.2 | -144.7 | 0 | 0 | 0 | 0 | 113.5 | C2231 P2300 | V2226-C2231 HydrophobicContact CB-CB 4.31Å; V2226-C2231 HydrophobicContact CG1-CB 3.42Å; V2226-C2231 VanDerWaalsContact CG1-CB 3.42Å; V2226-C2231 VanDerWaalsContact CG1-SG 3.57Å; V2226-P2300 HydrophobicContact CG2-CB 3.79Å; V2226-P2300 HydrophobicContact CG2-CG 3.82Å | ||
| 2227 | P | 52.9 | Low | 63.4 | Low | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 38% | 0.382 | S | S | . | . | trans | -88 | -1.8 | 178.2 | 31.6 | -32.1 | 0 | 0 | 0 | 114.6 | A2322 V2323 | P2227-A2322 HydrophobicContact CB-CB 3.86Å; P2227-A2322 HydrophobicContact CG-CB 4.09Å; P2227-V2323 VanDerWaalsContact CG-C 3.43Å; P2227-V2323 VanDerWaalsContact CG-O 3.26Å; P2227-V2323 WeakPolarHBondContact CG-O 3.45Å | ||
| 2228 | N | 55.2 | Low | 63.4 | Low | 56 Ų | 56 | 70 Ų | 70 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | -84.6 | 125 | 173.8 | -173.3 | 13.4 | 0 | 0 | 0 | 110.8 | E2230 C2231 | N2228-E2230 PolarHBondContact O-N 2.71Å; N2228-E2230 VanDerWaalsContact O-N 3.17Å; N2228-C2231 PolarHBondContact O-N 2.93Å | ||
| 2229 | K | 54.9 | Low | 63.1 | Low | 184 Ų | 184 | 69 Ų | 69 | 80% | 0.8 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.1 | -23.4 | -177.9 | -77.3 | -169.9 | 172.8 | -173 | 0 | 114.5 | C2231 G2232 | K2229-C2231 VanDerWaalsContact C-N 3.34Å; K2229-G2232 WeakPolarHBondContact O-CA 3.42Å; K2229-G2232 PolarHBondContact O-N 3.19Å |
| 2230 | E | 54.4 | Low | 63.3 | Low | 176 Ų | 176 | 67.2 Ų | 67.2 | 82% | 0.822 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -77.3 | -22.2 | -178.2 | -63.6 | -177 | 149.6 | 0 | 0 | 112.5 | N2228 G2232 | N2228-E2230 PolarHBondContact O-N 2.71Å; N2228-E2230 VanDerWaalsContact O-N 3.17Å; E2230-G2232 PolarHBondContact O-N 2.71Å |
| 2231 | C | 59.3 | Low | 63.3 | Low | 25 Ų | 25 | 66.5 Ų | 66.5 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -84.1 | 12.3 | 168.5 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | V2226 N2228 K2229 A2233 C2329 | V2226-C2231 HydrophobicContact CB-CB 4.31Å; V2226-C2231 HydrophobicContact CG1-CB 3.42Å; V2226-C2231 VanDerWaalsContact CG1-CB 3.42Å; V2226-C2231 VanDerWaalsContact CG1-SG 3.57Å; N2228-C2231 PolarHBondContact O-N 2.93Å; K2229-C2231 VanDerWaalsContact C-N 3.34Å; C2231-A2233 PolarHBondContact O-N 3.48Å; C2231-C2329 HydrophobicContact CB-CB 3.85Å; C2231-C2329 WeakPolarHBondContact CB-SG 3.41Å; C2231-C2329 VanDerWaalsContact SG-CA 3.52Å; C2231-C2329 WeakPolarHBondContact SG-CB 3.48Å; C2231-C2329 CovalentContact SG-SG 2.04Å; C2231-C2329 PolarHBondContact SG-SG 2.78Å |
| 2232 | G | 48 | Very low | 63.4 | Low | 63 Ų | 63 | 62 Ų | 62 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | trans | -82.1 | 76.7 | -154.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | K2229 E2230 | K2229-G2232 WeakPolarHBondContact O-CA 3.42Å; K2229-G2232 PolarHBondContact O-N 3.19Å; E2230-G2232 PolarHBondContact O-N 2.71Å | ||
| 2233 | A | 56.5 | Low | 64.2 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | trans | -141.8 | 147.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C2231 H2235 F2248 | C2231-A2233 PolarHBondContact O-N 3.48Å; A2233-H2235 WeakPolarHBondContact CB-O 3.21Å; A2233-H2235 PolarHBondContact O-N 2.82Å; A2233-F2248 WeakPolarHBondContact O-CE2 3.29Å; A2233-F2248 WeakPolarHBondContact O-CZ 3.48Å | ||
| 2234 | T | 61.8 | Low | 64.4 | Low | 36 Ų | 36 | 68.9 Ų | 68.9 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -80.6 | 16 | 166.3 | 55 | 0 | 0 | 0 | 0 | 111.6 | C2205 D2206 C2220 F2248 | C2205-T2234 HydrophobicContact CB-CG2 3.99Å; C2205-T2234 WeakPolarHBondContact O-CB 3.49Å; C2205-T2234 VanDerWaalsContact O-CG2 3.25Å; C2205-T2234 WeakPolarHBondContact O-CG2 3.19Å; D2206-T2234 CarbonylContact C-O 3.6Å; C2220-T2234 HydrophobicContact CB-CG2 4.23Å; T2234-F2248 PolarHBondContact O-N 2.91Å |
| 2235 | H | 70.8 | Confident | 64.7 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.8 | -172.1 | -64.5 | 38.6 | 0 | 0 | 0 | 108.9 | A2233 Y2245 I2246 | A2233-H2235 WeakPolarHBondContact CB-O 3.21Å; A2233-H2235 PolarHBondContact O-N 2.82Å; H2235-Y2245 HydrophobicContact CB-CD1 4.47Å; H2235-I2246 CarbonylContact C-O 3.51Å; H2235-I2246 VanDerWaalsContact C-O 3.32Å; H2235-I2246 WeakPolarHBondContact CA-O 3.29Å; H2235-I2246 WeakPolarHBondContact CB-O 3.47Å |
| 2236 | F | 74.1 | Confident | 64.9 | Low | 38 Ų | 38 | 72.9 Ų | 72.9 | 17% | 0.167 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 154.6 | 162.7 | -172.6 | -97.6 | 0 | 0 | 0 | 110.6 | Y2245 I2246 W2251 E2262 D2263 | F2236-Y2245 VanDerWaalsContact O-CA 3.29Å; F2236-Y2245 WeakPolarHBondContact O-CA 3.46Å; F2236-I2246 HydrophobicContact CB-CB 4.42Å; F2236-I2246 PolarHBondContact N-O 3.39Å; F2236-I2246 PolarHBondContact O-N 3.07Å; F2236-W2251 HydrophobicContact CB-CB 4.48Å; F2236-W2251 HydrophobicContact CB-CD2 4.36Å; F2236-W2251 HydrophobicContact CB-CG 4.28Å; F2236-W2251 AromaticContact CD2-CD1 3.97Å; F2236-W2251 AromaticContact CD2-CD2 3.65Å; F2236-W2251 HydrophobicContact CD2-CD2 3.65Å; F2236-W2251 AromaticContact CD2-CE2 3.36Å; F2236-W2251 HydrophobicContact CD2-CE3 4.17Å; F2236-W2251 HydrophobicContact CD2-CG 4.06Å; F2236-W2251 HydrophobicContact CD2-CH2 4.19Å; F2236-W2251 AromaticContact CD2-CZ2 3.66Å; F2236-W2251 HydrophobicContact CD2-CZ2 3.66Å; F2236-W2251 HydrophobicContact CD2-CZ3 4.42Å; F2236-W2251 AromaticContact CD2-NE1 3.6Å; F2236-W2251 HydrophobicContact CE2-CD2 4.36Å; F2236-W2251 AromaticContact CE2-CE2 3.6Å; F2236-W2251 HydrophobicContact CE2-CH2 4.48Å; F2236-W2251 AromaticContact CE2-CZ2 3.67Å; F2236-W2251 HydrophobicContact CE2-CZ2 3.67Å; F2236-W2251 AromaticContact CE2-NE1 3.61Å; F2236-W2251 HydrophobicContact CG-CD2 4.31Å; F2236-W2251 HydrophobicContact CG-CG 4.31Å; F2236-E2262 HydrophobicContact CE1-CB 4.38Å; F2236-E2262 VanDerWaalsContact CZ-O 3.31Å; F2236-E2262 WeakPolarHBondContact CZ-O 3.37Å; F2236-D2263 HydrophobicContact CD1-CB 4.01Å; F2236-D2263 VanDerWaalsContact CE1-CA 3.5Å; F2236-D2263 HydrophobicContact CE1-CB 3.98Å |
| 2237 | R | 74 | Confident | 65.7 | Low | 135 Ų | 135 | 72.5 Ų | 72.5 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 116.7 | -176.9 | -174 | -172.1 | -171.6 | -173.5 | 3.2 | 111.1 | G2239 P2242 Y2245 | R2237-G2239 PolarHBondContact O-N 3.07Å; R2237-P2242 VanDerWaalsContact CZ-O 3.31Å; R2237-P2242 PolarHBondContact NE-O 3.26Å; R2237-P2242 PolarHBondContact NH2-O 2.71Å; R2237-Y2245 HydrophobicContact CB-CD1 4.01Å; R2237-Y2245 HydrophobicContact CB-CE1 4.05Å; R2237-Y2245 HydrophobicContact CG-CD1 3.97Å; R2237-Y2245 HydrophobicContact CG-CE1 3.67Å; R2237-Y2245 PolarHBondContact NE-OH 2.8Å |
| 2238 | C | 77.2 | Confident | 66.7 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | trans | -65 | 130.9 | -179 | -51.1 | 0 | 0 | 0 | 0 | 112 | A2241 P2242 Q2244 I2246 C2258 | C2238-A2241 HydrophobicContact CB-CB 4.09Å; C2238-A2241 CarbonylContact O-C 2.92Å; C2238-P2242 WeakPolarHBondContact O-CA 3.3Å; C2238-Q2244 HydrophobicContact CB-CB 4.3Å; C2238-Q2244 PolarHBondContact N-O 3.19Å; C2238-I2246 VanDerWaalsContact SG-CD1 3.59Å; C2238-C2258 WeakPolarHBondContact CA-SG 2.94Å; C2238-C2258 HydrophobicContact CB-CB 3.89Å; C2238-C2258 WeakPolarHBondContact CB-SG 2.97Å; C2238-C2258 WeakPolarHBondContact SG-CA 3.18Å; C2238-C2258 WeakPolarHBondContact SG-CB 3.39Å; C2238-C2258 CovalentContact SG-SG 2.04Å; C2238-C2258 PolarHBondContact SG-SG 3.38Å | ||
| 2239 | G | 70.1 | Confident | 67.6 | Low | 53 Ų | 53 | 69.7 Ų | 69.7 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -75.3 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2237 A2241 E2262 | R2237-G2239 PolarHBondContact O-N 3.07Å; G2239-A2241 PolarHBondContact O-N 3.26Å; G2239-E2262 WeakPolarHBondContact CA-OE2 3.16Å; G2239-E2262 PolarHBondContact N-OE1 2.86Å; G2239-E2262 PolarHBondContact N-OE2 3.28Å |
| 2240 | T | 73.6 | Confident | 68.8 | Low | 89 Ų | 89 | 64.9 Ų | 64.9 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -66.3 | -24.1 | 173.6 | 57 | 0 | 0 | 0 | 0 | 113.2 | G2260 E2262 | T2240-G2260 PolarHBondContact OG1-N 2.93Å; T2240-E2262 VanDerWaalsContact CB-OE1 3.28Å; T2240-E2262 WeakPolarHBondContact CB-OE1 3.39Å; T2240-E2262 HydrophobicContact CG2-CG 4.43Å; T2240-E2262 WeakPolarHBondContact CG2-OE1 3.18Å; T2240-E2262 VanDerWaalsContact N-CD 3.31Å; T2240-E2262 PolarHBondContact N-OE1 2.76Å; T2240-E2262 PolarHBondContact N-OE2 3.31Å; T2240-E2262 PolarHBondContact OG1-OE1 3.37Å |
| 2241 | A | 69.3 | Low | 70 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -135.3 | 76.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | C2238 G2239 Y2243 Q2244 | C2238-A2241 HydrophobicContact CB-CB 4.09Å; C2238-A2241 CarbonylContact O-C 2.92Å; G2239-A2241 PolarHBondContact O-N 3.26Å; A2241-Y2243 PolarHBondContact O-N 3.34Å; A2241-Q2244 HydrophobicContact CB-CB 3.9Å; A2241-Q2244 WeakPolarHBondContact O-CB 3.4Å; A2241-Q2244 PolarHBondContact O-N 2.9Å |
| 2242 | P | 63.1 | Low | 70.9 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 6.4 | -167.4 | 26.7 | -36.5 | 0 | 0 | 0 | 116.4 | R2237 C2238 | R2237-P2242 VanDerWaalsContact CZ-O 3.31Å; R2237-P2242 PolarHBondContact NE-O 3.26Å; R2237-P2242 PolarHBondContact NH2-O 2.71Å; C2238-P2242 WeakPolarHBondContact O-CA 3.3Å |
| 2243 | Y | 73.9 | Confident | 72.1 | Confident | 211 Ų | 211 | 57.6 Ų | 57.6 | 83% | 0.827 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -4.7 | 170.4 | -59.8 | -77 | 0 | 0 | 0 | 113 | A2241 Y2245 | A2241-Y2243 PolarHBondContact O-N 3.34Å; Y2243-Y2245 WeakPolarHBondContact O-CD2 3.34Å |
| 2244 | Q | 70 | Confident | 72.8 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | trans | -90.3 | 131.8 | 175.6 | -171.7 | 177.2 | -0.6 | 0 | 0 | 109.2 | C2238 A2241 D2257 | C2238-Q2244 HydrophobicContact CB-CB 4.3Å; C2238-Q2244 PolarHBondContact N-O 3.19Å; A2241-Q2244 HydrophobicContact CB-CB 3.9Å; A2241-Q2244 WeakPolarHBondContact O-CB 3.4Å; A2241-Q2244 PolarHBondContact O-N 2.9Å; Q2244-D2257 PolarHBondContact NE2-O 2.65Å | ||
| 2245 | Y | 71.9 | Confident | 73.3 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 45% | 0.451 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.9 | 179.4 | -63.7 | -94 | 0 | 0 | 0 | 108.2 | H2235 F2236 R2237 Y2243 | H2235-Y2245 HydrophobicContact CB-CD1 4.47Å; F2236-Y2245 VanDerWaalsContact O-CA 3.29Å; F2236-Y2245 WeakPolarHBondContact O-CA 3.46Å; R2237-Y2245 HydrophobicContact CB-CD1 4.01Å; R2237-Y2245 HydrophobicContact CB-CE1 4.05Å; R2237-Y2245 HydrophobicContact CG-CD1 3.97Å; R2237-Y2245 HydrophobicContact CG-CE1 3.67Å; R2237-Y2245 PolarHBondContact NE-OH 2.8Å; Y2243-Y2245 WeakPolarHBondContact O-CD2 3.34Å |
| 2246 | I | 73.2 | Confident | 73.7 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.7 | -172.1 | -67.8 | 165.2 | 0 | 0 | 0 | 107.4 | H2235 F2236 C2238 Y2250 D2257 C2258 D2263 | H2235-I2246 CarbonylContact C-O 3.51Å; H2235-I2246 VanDerWaalsContact C-O 3.32Å; H2235-I2246 WeakPolarHBondContact CA-O 3.29Å; H2235-I2246 WeakPolarHBondContact CB-O 3.47Å; F2236-I2246 HydrophobicContact CB-CB 4.42Å; F2236-I2246 PolarHBondContact N-O 3.39Å; F2236-I2246 PolarHBondContact O-N 3.07Å; C2238-I2246 VanDerWaalsContact SG-CD1 3.59Å; I2246-Y2250 HydrophobicContact CG2-CG 4.47Å; I2246-D2257 HydrophobicContact CD1-CB 3.64Å; I2246-D2257 HydrophobicContact CG1-CB 4.06Å; I2246-D2257 HydrophobicContact CG2-CB 4.38Å; I2246-C2258 HydrophobicContact CD1-CB 4.09Å; I2246-C2258 WeakPolarHBondContact CD1-SG 2.98Å; I2246-D2263 HydrophobicContact CD1-CB 4.39Å |
| 2247 | P | 75.9 | Confident | 74 | Confident | 25 Ų | 25 | 65 Ų | 65 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 150.6 | 176.6 | -21.8 | 31.5 | 0 | 0 | 0 | 112.1 | D2206 A2249 Y2250 | D2206-P2247 CarbonylContact O-C 3.56Å; D2206-P2247 WeakPolarHBondContact O-CA 3.45Å; D2206-P2247 VanDerWaalsContact O-CB 3.25Å; D2206-P2247 WeakPolarHBondContact O-CB 3.2Å; P2247-A2249 PolarHBondContact O-N 2.83Å; P2247-A2249 VanDerWaalsContact O-N 3.16Å; P2247-Y2250 HydrophobicContact CB-CD2 3.88Å; P2247-Y2250 HydrophobicContact CB-CE2 4.25Å; P2247-Y2250 HydrophobicContact CG-CD2 3.91Å; P2247-Y2250 HydrophobicContact CG-CE2 4.05Å; P2247-Y2250 PolarHBondContact O-N 2.72Å |
| 2248 | F | 74.4 | Confident | 74.1 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.9 | -23.9 | 177.8 | -80 | -32.8 | 0 | 0 | 0 | 114 | D2206 A2233 T2234 Y2250 W2251 | D2206-F2248 HydrophobicContact CB-CB 3.91Å; D2206-F2248 PolarHBondContact O-N 3.13Å; A2233-F2248 WeakPolarHBondContact O-CE2 3.29Å; A2233-F2248 WeakPolarHBondContact O-CZ 3.48Å; T2234-F2248 PolarHBondContact O-N 2.91Å; F2248-Y2250 PolarHBondContact O-N 3.41Å; F2248-W2251 AromaticContact CD1-CE3 3.71Å; F2248-W2251 HydrophobicContact CD1-CE3 3.71Å; F2248-W2251 HydrophobicContact CD1-CZ3 4.31Å; F2248-W2251 AromaticContact CE1-CE3 3.69Å; F2248-W2251 HydrophobicContact CE1-CE3 3.69Å; F2248-W2251 AromaticContact CE1-CZ3 3.82Å; F2248-W2251 HydrophobicContact CE1-CZ3 3.82Å; F2248-W2251 PolarHBondContact O-N 2.87Å |
| 2249 | A | 72.8 | Confident | 73.9 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -54.2 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2208 P2247 | E2208-A2249 HydrophobicContact CG-CB 4.12Å; P2247-A2249 PolarHBondContact O-N 2.83Å; P2247-A2249 VanDerWaalsContact O-N 3.16Å |
| 2250 | Y | 81.1 | Confident | 74 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -94.4 | 12.9 | -178 | -54.2 | -89.2 | 0 | 0 | 0 | 113.3 | E2208 I2246 P2247 F2248 | E2208-Y2250 HydrophobicContact CG-CE2 4.4Å; E2208-Y2250 PolarHBondContact OE2-OH 3.11Å; I2246-Y2250 HydrophobicContact CG2-CG 4.47Å; P2247-Y2250 HydrophobicContact CB-CD2 3.88Å; P2247-Y2250 HydrophobicContact CB-CE2 4.25Å; P2247-Y2250 HydrophobicContact CG-CD2 3.91Å; P2247-Y2250 HydrophobicContact CG-CE2 4.05Å; P2247-Y2250 PolarHBondContact O-N 2.72Å; F2248-Y2250 PolarHBondContact O-N 3.41Å |
| 2251 | W | 78.3 | Confident | 74 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 119.2 | 172.4 | -170.1 | 13.8 | 0 | 0 | 0 | 110.2 | F2236 F2248 D2263 V2298 P2299 P2300 | F2236-W2251 HydrophobicContact CB-CB 4.48Å; F2236-W2251 HydrophobicContact CB-CD2 4.36Å; F2236-W2251 HydrophobicContact CB-CG 4.28Å; F2236-W2251 AromaticContact CD2-CD1 3.97Å; F2236-W2251 AromaticContact CD2-CD2 3.65Å; F2236-W2251 HydrophobicContact CD2-CD2 3.65Å; F2236-W2251 AromaticContact CD2-CE2 3.36Å; F2236-W2251 HydrophobicContact CD2-CE3 4.17Å; F2236-W2251 HydrophobicContact CD2-CG 4.06Å; F2236-W2251 HydrophobicContact CD2-CH2 4.19Å; F2236-W2251 AromaticContact CD2-CZ2 3.66Å; F2236-W2251 HydrophobicContact CD2-CZ2 3.66Å; F2236-W2251 HydrophobicContact CD2-CZ3 4.42Å; F2236-W2251 AromaticContact CD2-NE1 3.6Å; F2236-W2251 HydrophobicContact CE2-CD2 4.36Å; F2236-W2251 AromaticContact CE2-CE2 3.6Å; F2236-W2251 HydrophobicContact CE2-CH2 4.48Å; F2236-W2251 AromaticContact CE2-CZ2 3.67Å; F2236-W2251 HydrophobicContact CE2-CZ2 3.67Å; F2236-W2251 AromaticContact CE2-NE1 3.61Å; F2236-W2251 HydrophobicContact CG-CD2 4.31Å; F2236-W2251 HydrophobicContact CG-CG 4.31Å; F2248-W2251 AromaticContact CD1-CE3 3.71Å; F2248-W2251 HydrophobicContact CD1-CE3 3.71Å; F2248-W2251 HydrophobicContact CD1-CZ3 4.31Å; F2248-W2251 AromaticContact CE1-CE3 3.69Å; F2248-W2251 HydrophobicContact CE1-CE3 3.69Å; F2248-W2251 AromaticContact CE1-CZ3 3.82Å; F2248-W2251 HydrophobicContact CE1-CZ3 3.82Å; F2248-W2251 PolarHBondContact O-N 2.87Å; W2251-D2263 PolarHBondContact NE1-O 2.85Å; W2251-D2263 VanDerWaalsContact NE1-O 3.13Å; W2251-V2298 HydrophobicContact CH2-CG1 4.07Å; W2251-V2298 HydrophobicContact CZ2-CG1 3.43Å; W2251-V2298 VanDerWaalsContact CZ2-CG1 3.43Å; W2251-P2299 HydrophobicContact CB-CB 4.37Å; W2251-P2299 HydrophobicContact CD2-CB 3.99Å; W2251-P2299 HydrophobicContact CE3-CB 3.6Å; W2251-P2299 HydrophobicContact CG-CB 4.33Å; W2251-P2299 HydrophobicContact CZ3-CB 4.25Å; W2251-P2299 VanDerWaalsContact O-CD 3.29Å; W2251-P2299 WeakPolarHBondContact O-CD 3.37Å; W2251-P2299 WeakPolarHBondContact O-CG 3.11Å; W2251-P2300 HydrophobicContact CZ3-CG 4.41Å |
| 2252 | C | 78.1 | Confident | 74.4 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 44.9 | -176.2 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | E2264 C2267 V2298 | C2252-E2264 WeakPolarHBondContact CA-OE1 3.35Å; C2252-E2264 PolarHBondContact N-OE1 3.43Å; C2252-C2267 VanDerWaalsContact CA-SG 3.54Å; C2252-C2267 HydrophobicContact CB-CB 3.63Å; C2252-C2267 WeakPolarHBondContact CB-SG 3.33Å; C2252-C2267 WeakPolarHBondContact SG-CA 3.44Å; C2252-C2267 WeakPolarHBondContact SG-CB 3.29Å; C2252-C2267 CovalentContact SG-SG 2.03Å; C2252-C2267 PolarHBondContact SG-SG 2.88Å; C2252-V2298 PolarHBondContact SG-O 2.03Å; C2252-V2298 VanDerWaalsContact SG-O 3.41Å |
| 2253 | D | 73.1 | Confident | 75.3 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -95.8 | -24.1 | -179 | 133.5 | -74.3 | 0 | 0 | 0 | 111.6 | G2255 E2264 K2357 | D2253-G2255 WeakPolarHBondContact OD1-CA 3.44Å; D2253-G2255 PolarHBondContact OD1-N 2.83Å; D2253-E2264 PolarHBondContact N-OE1 3.34Å; D2253-K2357 PolarHBondContact O-NZ 2.94Å; D2253-K2357 IonicContact OD2-NZ 3.42Å; D2253-K2357 PolarHBondContact OD2-NZ 3.39Å |
| 2254 | G | 72.6 | Confident | 75.8 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 107.3 | -12 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2264 | G2254-E2264 WeakPolarHBondContact CA-OE2 3.35Å; G2254-E2264 PolarHBondContact N-OE1 2.69Å; G2254-E2264 PolarHBondContact N-OE2 2.02Å |
| 2255 | G | 72.5 | Confident | 76 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.9 | 149.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D2253 E2264 | D2253-G2255 WeakPolarHBondContact OD1-CA 3.44Å; D2253-G2255 PolarHBondContact OD1-N 2.83Å; G2255-E2264 WeakPolarHBondContact O-CG 3.4Å |
| 2256 | R | 77.8 | Confident | 76.1 | Confident | 194 Ų | 194 | 55.5 Ų | 55.5 | 73% | 0.732 | 30% | 0.296 | S | S | * | . | trans | -97.7 | 91.7 | 172 | -64.5 | -171.1 | -163.6 | -150.2 | 6.6 | 110.4 | ||||
| 2257 | D | 81 | Confident | 76.4 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | trans | -85.2 | -35.3 | 172.9 | -76 | -43.5 | 0 | 0 | 0 | 111.1 | Q2244 I2246 D2263 | Q2244-D2257 PolarHBondContact NE2-O 2.65Å; I2246-D2257 HydrophobicContact CD1-CB 3.64Å; I2246-D2257 HydrophobicContact CG1-CB 4.06Å; I2246-D2257 HydrophobicContact CG2-CB 4.38Å; D2257-D2263 WeakPolarHBondContact CA-OD2 3.31Å; D2257-D2263 PolarHBondContact N-OD2 3.41Å | ||
| 2258 | C | 75.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -69.2 | 135.2 | 166.8 | -79.4 | 0 | 0 | 0 | 0 | 110.6 | C2238 I2246 G2260 G2261 E2262 D2263 | C2238-C2258 WeakPolarHBondContact CA-SG 2.94Å; C2238-C2258 HydrophobicContact CB-CB 3.89Å; C2238-C2258 WeakPolarHBondContact CB-SG 2.97Å; C2238-C2258 WeakPolarHBondContact SG-CA 3.18Å; C2238-C2258 WeakPolarHBondContact SG-CB 3.39Å; C2238-C2258 CovalentContact SG-SG 2.04Å; C2238-C2258 PolarHBondContact SG-SG 3.38Å; I2246-C2258 HydrophobicContact CD1-CB 4.09Å; I2246-C2258 WeakPolarHBondContact CD1-SG 2.98Å; C2258-G2260 PolarHBondContact O-N 2.9Å; C2258-G2261 PolarHBondContact O-N 2.93Å; C2258-E2262 HydrophobicContact CB-CB 4.36Å; C2258-D2263 HydrophobicContact CB-CB 4.34Å; C2258-D2263 WeakPolarHBondContact CB-OD1 3.39Å; C2258-D2263 PolarHBondContact N-OD2 3.14Å |
| 2259 | R | 74.1 | Confident | 76.7 | Confident | 230 Ų | 230 | 61.2 Ų | 61.2 | 87% | 0.868 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.3 | 179.3 | -137.8 | 179.2 | -167 | -172.3 | 4.6 | 115.2 | ||
| 2260 | G | 71.2 | Confident | 77.2 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -15.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T2240 C2258 | T2240-G2260 PolarHBondContact OG1-N 2.93Å; C2258-G2260 PolarHBondContact O-N 2.9Å |
| 2261 | G | 74.3 | Confident | 77.3 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 67.7 | 44.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C2258 D2263 | C2258-G2261 PolarHBondContact O-N 2.93Å; G2261-D2263 VanDerWaalsContact CA-OD1 3.27Å; G2261-D2263 WeakPolarHBondContact CA-OD1 3.49Å |
| 2262 | E | 77.1 | Confident | 77.6 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -93.1 | -25.6 | -177.5 | -62.6 | 167.3 | -83.8 | 0 | 0 | 112.7 | F2236 G2239 T2240 C2258 A2265 | F2236-E2262 HydrophobicContact CE1-CB 4.38Å; F2236-E2262 VanDerWaalsContact CZ-O 3.31Å; F2236-E2262 WeakPolarHBondContact CZ-O 3.37Å; G2239-E2262 WeakPolarHBondContact CA-OE2 3.16Å; G2239-E2262 PolarHBondContact N-OE1 2.86Å; G2239-E2262 PolarHBondContact N-OE2 3.28Å; T2240-E2262 VanDerWaalsContact CB-OE1 3.28Å; T2240-E2262 WeakPolarHBondContact CB-OE1 3.39Å; T2240-E2262 HydrophobicContact CG2-CG 4.43Å; T2240-E2262 WeakPolarHBondContact CG2-OE1 3.18Å; T2240-E2262 VanDerWaalsContact N-CD 3.31Å; T2240-E2262 PolarHBondContact N-OE1 2.76Å; T2240-E2262 PolarHBondContact N-OE2 3.31Å; T2240-E2262 PolarHBondContact OG1-OE1 3.37Å; C2258-E2262 HydrophobicContact CB-CB 4.36Å; E2262-A2265 PolarHBondContact O-N 2.61Å | ||
| 2263 | D | 83.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -49.7 | 164.1 | 41.9 | -3.7 | 0 | 0 | 0 | 111.1 | F2236 I2246 W2251 D2257 C2258 G2261 A2265 | F2236-D2263 HydrophobicContact CD1-CB 4.01Å; F2236-D2263 VanDerWaalsContact CE1-CA 3.5Å; F2236-D2263 HydrophobicContact CE1-CB 3.98Å; I2246-D2263 HydrophobicContact CD1-CB 4.39Å; W2251-D2263 PolarHBondContact NE1-O 2.85Å; W2251-D2263 VanDerWaalsContact NE1-O 3.13Å; D2257-D2263 WeakPolarHBondContact CA-OD2 3.31Å; D2257-D2263 PolarHBondContact N-OD2 3.41Å; C2258-D2263 HydrophobicContact CB-CB 4.34Å; C2258-D2263 WeakPolarHBondContact CB-OD1 3.39Å; C2258-D2263 PolarHBondContact N-OD2 3.14Å; G2261-D2263 VanDerWaalsContact CA-OD1 3.27Å; G2261-D2263 WeakPolarHBondContact CA-OD1 3.49Å; D2263-A2265 PolarHBondContact O-N 3.03Å; D2263-A2265 VanDerWaalsContact O-N 3.14Å |
| 2264 | E | 84.2 | Confident | 77.1 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 17.4 | 179.1 | -63.8 | -58.1 | 119 | 0 | 0 | 114.1 | C2252 D2253 G2254 G2255 | C2252-E2264 WeakPolarHBondContact CA-OE1 3.35Å; C2252-E2264 PolarHBondContact N-OE1 3.43Å; D2253-E2264 PolarHBondContact N-OE1 3.34Å; G2254-E2264 WeakPolarHBondContact CA-OE2 3.35Å; G2254-E2264 PolarHBondContact N-OE1 2.69Å; G2254-E2264 PolarHBondContact N-OE2 2.02Å; G2255-E2264 WeakPolarHBondContact O-CG 3.4Å |
| 2265 | A | 73.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -106.4 | 144.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2262 D2263 C2267 | E2262-A2265 PolarHBondContact O-N 2.61Å; D2263-A2265 PolarHBondContact O-N 3.03Å; D2263-A2265 VanDerWaalsContact O-N 3.14Å; A2265-C2267 PolarHBondContact O-N 3.35Å; A2265-C2267 VanDerWaalsContact O-N 3.15Å |
| 2266 | D | 73.4 | Confident | 75.3 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 64.2 | 15 | 175.7 | -153.1 | -1.3 | 0 | 0 | 0 | 114.5 | V2298 K2330 | D2266-V2298 WeakPolarHBondContact O-CB 3.41Å; D2266-K2330 IonicContact OD1-NZ 3.65Å; D2266-K2330 PolarHBondContact OD1-NZ 3.45Å; D2266-K2330 WeakPolarHBondContact OD2-CE 3.46Å; D2266-K2330 IonicContact OD2-NZ 2.85Å; D2266-K2330 PolarHBondContact OD2-NZ 3.28Å |
| 2267 | C | 79.3 | Confident | 73.9 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | trans | -57.3 | 138.6 | 173.3 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | C2252 A2265 | C2252-C2267 VanDerWaalsContact CA-SG 3.54Å; C2252-C2267 HydrophobicContact CB-CB 3.63Å; C2252-C2267 WeakPolarHBondContact CB-SG 3.33Å; C2252-C2267 WeakPolarHBondContact SG-CA 3.44Å; C2252-C2267 WeakPolarHBondContact SG-CB 3.29Å; C2252-C2267 CovalentContact SG-SG 2.03Å; C2252-C2267 PolarHBondContact SG-SG 2.88Å; A2265-C2267 PolarHBondContact O-N 3.35Å; A2265-C2267 VanDerWaalsContact O-N 3.15Å | ||
| 2268 | S | 79.4 | Confident | 72.6 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 141.2 | -177.4 | 53.9 | 0 | 0 | 0 | 0 | 114 | G2297 V2298 | S2268-G2297 WeakPolarHBondContact O-CA 3.42Å; S2268-V2298 PolarHBondContact N-O 3.39Å; S2268-V2298 VanDerWaalsContact N-O 3.09Å; S2268-V2298 PolarHBondContact O-N 3.42Å; S2268-V2298 WeakPolarHBondContact OG-CG2 3.21Å; S2268-V2298 PolarHBondContact OG-N 3.42Å |
| 2269 | P | 78.4 | Confident | 71.7 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 147.4 | -173.8 | 27.6 | -36.7 | 0 | 0 | 0 | 112.6 | T2271 E2358 | P2269-T2271 PolarHBondContact O-N 2.78Å; P2269-T2271 PolarHBondContact O-OG1 2.9Å; P2269-E2358 WeakPolarHBondContact CA-OE2 3.38Å; P2269-E2358 WeakPolarHBondContact CB-OE2 3.38Å |
| 2270 | P | 83.3 | Confident | 71.4 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 125.5 | 173 | 21.9 | -29.5 | 0 | 0 | 0 | 110.4 | S2296 P2301 A2353 T2355 E2358 A2360 | P2270-S2296 CarbonylContact C-O 3.51Å; P2270-S2296 WeakPolarHBondContact CA-O 3.12Å; P2270-P2301 HydrophobicContact CB-CB 4.03Å; P2270-A2353 HydrophobicContact CB-CB 4.17Å; P2270-T2355 HydrophobicContact CB-CG2 4.11Å; P2270-T2355 HydrophobicContact CG-CG2 4.07Å; P2270-E2358 HydrophobicContact CG-CB 3.88Å; P2270-A2360 HydrophobicContact CB-CB 4.34Å; P2270-A2360 WeakPolarHBondContact O-CB 3.19Å |
| 2271 | T | 82.8 | Confident | 71.7 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 122.2 | 179.6 | -56 | 0 | 0 | 0 | 0 | 110.2 | P2269 I2273 A2295 S2296 | P2269-T2271 PolarHBondContact O-N 2.78Å; P2269-T2271 PolarHBondContact O-OG1 2.9Å; T2271-I2273 PolarHBondContact O-N 2.95Å; T2271-A2295 CarbonylContact O-C 3.48Å; T2271-A2295 WeakPolarHBondContact O-CA 3.47Å; T2271-A2295 WeakPolarHBondContact O-CB 3.08Å; T2271-S2296 PolarHBondContact N-O 3.32Å; T2271-S2296 PolarHBondContact O-N 2.04Å |
| 2272 | I | 83.9 | Confident | 72.1 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.2 | -179.8 | -55.2 | -68.4 | 0 | 0 | 0 | 110.9 | Q2274 A2295 A2353 A2360 | I2272-Q2274 HydrophobicContact CG2-CB 4.2Å; I2272-Q2274 PolarHBondContact O-N 3.13Å; I2272-A2295 HydrophobicContact CD1-CB 4.24Å; I2272-A2353 HydrophobicContact CD1-CB 3.48Å; I2272-A2353 VanDerWaalsContact CD1-CB 3.48Å; I2272-A2360 HydrophobicContact CG1-CB 4.29Å |
| 2273 | I | 77.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -94.2 | 77 | 178.3 | -54.7 | 178.7 | 0 | 0 | 0 | 108.7 | T2271 T2275 E2294 L2327 | T2271-I2273 PolarHBondContact O-N 2.95Å; I2273-T2275 HydrophobicContact CG2-CG2 4.34Å; I2273-T2275 PolarHBondContact O-N 2.83Å; I2273-E2294 HydrophobicContact CB-CG 4.46Å; I2273-E2294 PolarHBondContact N-O 2.7Å; I2273-L2327 HydrophobicContact CD1-CD1 3.42Å; I2273-L2327 VanDerWaalsContact CD1-CD1 3.42Å; I2273-L2327 HydrophobicContact CD1-CG 4.26Å | ||
| 2274 | Q | 65 | Low | 72.2 | Confident | 52 Ų | 52 | 72 Ų | 72 | 24% | 0.243 | 36% | 0.363 | C | S | . | . | trans | -78.3 | 87.1 | -172.4 | -151.5 | 162.2 | 5.3 | 0 | 0 | 111.9 | K104 I2272 Q2363 | K104-Q2274 PolarHBondContact NZ-O 2.73Å; I2272-Q2274 HydrophobicContact CG2-CB 4.2Å; I2272-Q2274 PolarHBondContact O-N 3.13Å; Q2274-Q2363 PolarHBondContact NE2-O 3.05Å | ||
| 2275 | T | 53.8 | Low | 71.9 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | trans | -73 | -31 | -179.6 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | I2273 | I2273-T2275 HydrophobicContact CG2-CG2 4.34Å; I2273-T2275 PolarHBondContact O-N 2.83Å | ||
| 2276 | Q | 52.6 | Low | 72.1 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -70.6 | 150.5 | 171.6 | -59 | -71.9 | -46.1 | 0 | 0 | 110.8 | ||
| 2277 | R | 47.8 | Very low | 72.5 | Confident | 138 Ų | 138 | 69.1 Ų | 69.1 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | trans | -79.6 | 172.7 | 170.6 | -97.4 | -175.7 | 176.9 | 159.9 | 2.1 | 111.3 | E2279 | R2277-E2279 HydrophobicContact CB-CG 3.87Å; R2277-E2279 PolarHBondContact O-N 2.91Å | ||
| 2278 | Q | 54.4 | Low | 72.9 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -67.4 | 64.6 | 159.2 | -66.9 | -175.9 | -5.2 | 0 | 0 | 111.2 | ||
| 2279 | E | 55.9 | Low | 73.3 | Confident | 105 Ų | 105 | 71.6 Ų | 71.6 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | trans | -92.8 | 121.8 | 173.7 | -72 | -176.7 | -164.6 | 0 | 0 | 109.4 | R2277 H2281 | R2277-E2279 HydrophobicContact CB-CG 3.87Å; R2277-E2279 PolarHBondContact O-N 2.91Å; E2279-H2281 PolarHBondContact O-CD2 3.18Å; E2279-H2281 PolarHBondContact O-N 3.28Å | ||
| 2280 | T | 67.8 | Low | 73.7 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | trans | -70.1 | 99.8 | 173 | 56.2 | 0 | 0 | 0 | 0 | 108.7 | R2282 F2366 F2368 | T2280-R2282 PolarHBondContact O-N 3.09Å; T2280-F2366 CarbonylContact C-O 3.59Å; T2280-F2366 WeakPolarHBondContact CA-O 3.14Å; T2280-F2366 HydrophobicContact CG2-CB 4.36Å; T2280-F2368 HydrophobicContact CG2-CE2 3.95Å | ||
| 2281 | H | 78.8 | Confident | 74 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.1 | -177.3 | -66.1 | -91.2 | 0 | 0 | 0 | 109.9 | E2279 L2289 F2366 V2367 F2368 | E2279-H2281 PolarHBondContact O-CD2 3.18Å; E2279-H2281 PolarHBondContact O-N 3.28Å; H2281-L2289 HydrophobicContact CB-CD1 4.18Å; H2281-F2366 PolarHBondContact N-O 2.81Å; H2281-V2367 HydrophobicContact CB-CG1 4.39Å; H2281-V2367 HydrophobicContact CB-CG2 4.29Å; H2281-V2367 WeakPolarHBondContact O-CA 3.19Å; H2281-F2368 PolarHBondContact O-N 3.42Å |
| 2282 | R | 81.3 | Confident | 74.2 | Confident | 101 Ų | 101 | 72 Ų | 72 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.6 | 171.4 | -68.4 | -175.1 | -168.8 | -89.1 | -17 | 110.2 | E2067 R2102 T2280 F2368 | E2067-R2282 IonicContact OE1-CZ 3.3Å; E2067-R2282 IonicContact OE1-NH1 3.33Å; E2067-R2282 IonicContact OE1-NH2 3.81Å; E2067-R2282 PolarHBondContact OE1-NH2 2.95Å; E2067-R2282 IonicContact OE2-CZ 3.95Å; E2067-R2282 VanDerWaalsContact OE2-CZ 3.26Å; E2067-R2282 IonicContact OE2-NH1 3.11Å; E2067-R2282 PolarHBondContact OE2-NH1 3.02Å; E2067-R2282 IonicContact OE2-NH2 3.86Å; E2067-R2282 PolarHBondContact OE2-NH2 2.78Å; R2102-R2282 VanDerWaalsContact NH2-NH2 3.15Å; T2280-R2282 PolarHBondContact O-N 3.09Å; R2282-F2368 WeakPolarHBondContact CA-O 3.37Å |
| 2283 | V | 83.5 | Confident | 74.3 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.5 | 179.5 | -163.9 | 0 | 0 | 0 | 0 | 108.8 | L2289 F2341 V2367 F2368 S2370 | V2283-L2289 HydrophobicContact CG2-CB 4.18Å; V2283-L2289 HydrophobicContact CG2-CD1 3.8Å; V2283-L2289 HydrophobicContact CG2-CG 4.45Å; V2283-F2341 HydrophobicContact CB-CB 4.36Å; V2283-F2341 HydrophobicContact CB-CD1 3.66Å; V2283-F2341 HydrophobicContact CB-CD2 4.2Å; V2283-F2341 HydrophobicContact CB-CE1 3.91Å; V2283-F2341 HydrophobicContact CB-CE2 4.42Å; V2283-F2341 HydrophobicContact CB-CG 3.82Å; V2283-F2341 HydrophobicContact CB-CZ 4.28Å; V2283-F2341 HydrophobicContact CG1-CB 3.58Å; V2283-F2341 HydrophobicContact CG1-CD1 3.85Å; V2283-F2341 HydrophobicContact CG1-CD2 4.09Å; V2283-F2341 HydrophobicContact CG1-CG 3.58Å; V2283-F2341 HydrophobicContact CG2-CD1 4.45Å; V2283-F2341 HydrophobicContact CG2-CD2 4.27Å; V2283-F2341 HydrophobicContact CG2-CE1 4.41Å; V2283-F2341 HydrophobicContact CG2-CE2 4.21Å; V2283-F2341 HydrophobicContact CG2-CG 4.39Å; V2283-F2341 HydrophobicContact CG2-CZ 4.29Å; V2283-V2367 HydrophobicContact CG2-CG1 3.99Å; V2283-F2368 PolarHBondContact N-O 3.36Å; V2283-F2368 VanDerWaalsContact N-O 3.09Å; V2283-S2370 PolarHBondContact O-N 3.01Å |
| 2284 | R | 80.3 | Confident | 74.8 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | trans | -74.4 | 151.1 | 173.1 | -71.1 | 179 | -179.9 | 138.7 | 2.4 | 110.6 | G2286 G2287 | R2284-G2286 PolarHBondContact O-N 3.13Å; R2284-G2287 WeakPolarHBondContact O-CA 3.19Å; R2284-G2287 PolarHBondContact O-N 3.13Å | ||
| 2285 | P | 77.6 | Confident | 75.9 | Confident | 82 Ų | 82 | 66 Ų | 66 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 132.3 | 166.1 | -28.6 | 33 | 0 | 0 | 0 | 112.2 | G2287 F2341 L2369 S2370 | P2285-G2287 PolarHBondContact O-N 3.22Å; P2285-F2341 CarbonylContact C-O 3.53Å; P2285-F2341 WeakPolarHBondContact CA-O 3.33Å; P2285-L2369 HydrophobicContact CG-CD1 4.09Å; P2285-L2369 HydrophobicContact CG-CD2 4.45Å; P2285-L2369 HydrophobicContact CG-CG 4.38Å; P2285-S2370 WeakPolarHBondContact CD-O 3.41Å |
| 2286 | G | 78.1 | Confident | 77.3 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | R2284 F2341 | R2284-G2286 PolarHBondContact O-N 3.13Å; G2286-F2341 PolarHBondContact N-O 3.49Å |
| 2287 | G | 81.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 59 Ų | 59 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | trans | -71.5 | -179 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2284 P2285 N2340 F2341 | R2284-G2287 WeakPolarHBondContact O-CA 3.19Å; R2284-G2287 PolarHBondContact O-N 3.13Å; P2285-G2287 PolarHBondContact O-N 3.22Å; G2287-N2340 CarbonylContact O-C 3.54Å; G2287-N2340 WeakPolarHBondContact O-CA 3.07Å; G2287-N2340 PolarHBondContact O-N 2.76Å; G2287-F2341 PolarHBondContact O-N 2.83Å | ||
| 2288 | R | 87.1 | Confident | 80.1 | Confident | 142 Ų | 142 | 52.7 Ų | 52.7 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | trans | -122.3 | 123.4 | 177.6 | -177.1 | -174 | -156.2 | -145.5 | 4.4 | 109.5 | I2290 T2337 I2338 E2339 | R2288-I2290 HydrophobicContact CG-CG1 4.27Å; R2288-T2337 HydrophobicContact CG-CG2 4.39Å; R2288-I2338 WeakPolarHBondContact CA-O 3.2Å; R2288-E2339 WeakPolarHBondContact CD-OE2 3.19Å; R2288-E2339 WeakPolarHBondContact CG-OE2 3.37Å; R2288-E2339 IonicContact CZ-OE1 2.76Å; R2288-E2339 VanDerWaalsContact NE-CD 3.28Å; R2288-E2339 IonicContact NE-OE1 3.76Å; R2288-E2339 PolarHBondContact NE-OE1 3.28Å; R2288-E2339 IonicContact NE-OE2 2.65Å; R2288-E2339 PolarHBondContact NE-OE2 2.73Å; R2288-E2339 VanDerWaalsContact NE-OE2 3.15Å; R2288-E2339 IonicContact NH2-OE1 3.49Å; R2288-E2339 PolarHBondContact NH2-OE1 2.89Å | ||
| 2289 | L | 87.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 142.4 | 168.1 | -175 | 66.3 | 0 | 0 | 0 | 109.5 | H2281 V2283 L2291 T2337 I2338 F2341 V2367 | H2281-L2289 HydrophobicContact CB-CD1 4.18Å; V2283-L2289 HydrophobicContact CG2-CB 4.18Å; V2283-L2289 HydrophobicContact CG2-CD1 3.8Å; V2283-L2289 HydrophobicContact CG2-CG 4.45Å; L2289-L2291 HydrophobicContact CD1-CD2 4.01Å; L2289-L2291 HydrophobicContact CD1-CG 4.41Å; L2289-L2291 HydrophobicContact CD2-CD1 4.05Å; L2289-L2291 HydrophobicContact CD2-CD2 4.31Å; L2289-L2291 HydrophobicContact CD2-CG 3.97Å; L2289-L2291 HydrophobicContact CG-CD2 4.22Å; L2289-L2291 HydrophobicContact CG-CG 4.06Å; L2289-T2337 WeakPolarHBondContact O-CA 3.15Å; L2289-I2338 HydrophobicContact CB-CB 4.14Å; L2289-I2338 HydrophobicContact CB-CG1 4.48Å; L2289-I2338 HydrophobicContact CD2-CD1 4.04Å; L2289-I2338 PolarHBondContact N-O 3Å; L2289-I2338 PolarHBondContact O-N 2.71Å; L2289-F2341 HydrophobicContact CB-CD2 4.14Å; L2289-F2341 HydrophobicContact CB-CE2 4.44Å; L2289-F2341 HydrophobicContact CD2-CE2 4.15Å; L2289-V2367 HydrophobicContact CD2-CG1 3.98Å; L2289-V2367 HydrophobicContact CD2-CG2 3.98Å |
| 2290 | I | 87.4 | Confident | 82.3 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 121.3 | 169 | -52.4 | 177.1 | 0 | 0 | 0 | 107 | R2288 R2335 L2336 | R2288-I2290 HydrophobicContact CG-CG1 4.27Å; I2290-R2335 HydrophobicContact CG2-CG 3.55Å; I2290-L2336 WeakPolarHBondContact CA-O 3.46Å |
| 2291 | L | 88.5 | Confident | 82.9 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.6 | 171.7 | -58 | -180 | 0 | 0 | 0 | 108.7 | L2289 W2305 R2335 L2336 Y2349 I2365 | L2289-L2291 HydrophobicContact CD1-CD2 4.01Å; L2289-L2291 HydrophobicContact CD1-CG 4.41Å; L2289-L2291 HydrophobicContact CD2-CD1 4.05Å; L2289-L2291 HydrophobicContact CD2-CD2 4.31Å; L2289-L2291 HydrophobicContact CD2-CG 3.97Å; L2289-L2291 HydrophobicContact CG-CD2 4.22Å; L2289-L2291 HydrophobicContact CG-CG 4.06Å; L2291-W2305 HydrophobicContact CB-CH2 3.44Å; L2291-W2305 VanDerWaalsContact CB-CH2 3.44Å; L2291-W2305 HydrophobicContact CB-CZ2 4.29Å; L2291-W2305 HydrophobicContact CB-CZ3 3.66Å; L2291-W2305 HydrophobicContact CD1-CZ3 3.92Å; L2291-W2305 HydrophobicContact CG-CZ3 4.46Å; L2291-R2335 CarbonylContact O-C 3.54Å; L2291-R2335 VanDerWaalsContact O-CA 3.32Å; L2291-R2335 WeakPolarHBondContact O-CA 3.4Å; L2291-L2336 HydrophobicContact CB-CB 4.49Å; L2291-L2336 PolarHBondContact N-O 3.4Å; L2291-L2336 PolarHBondContact O-N 2.79Å; L2291-Y2349 HydrophobicContact CD1-CD1 4.31Å; L2291-Y2349 HydrophobicContact CD1-CG 3.98Å; L2291-I2365 HydrophobicContact CD1-CD1 4.37Å; L2291-I2365 HydrophobicContact CD1-CG2 4.41Å; L2291-I2365 HydrophobicContact CD2-CG2 4.12Å |
| 2292 | E | 87.4 | Confident | 83.1 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.6 | 174.4 | -66.4 | -163.6 | 164.8 | 0 | 0 | 110.7 | K2333 R2335 | E2292-K2333 WeakPolarHBondContact OE2-CE 3.35Å; E2292-K2333 IonicContact OE2-NZ 2.73Å; E2292-K2333 PolarHBondContact OE2-NZ 2.97Å; E2292-R2335 HydrophobicContact CG-CB 4.15Å; E2292-R2335 HydrophobicContact CG-CG 4.04Å; E2292-R2335 IonicContact OE1-CZ 3.92Å; E2292-R2335 IonicContact OE1-NE 3.32Å; E2292-R2335 PolarHBondContact OE1-NE 3.25Å; E2292-R2335 IonicContact OE1-NH2 3.46Å; E2292-R2335 PolarHBondContact OE1-NH2 2.99Å |
| 2293 | C | 87.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135 | 176 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | I2303 W2305 K2333 S2334 C2351 | C2293-I2303 HydrophobicContact CB-CG2 4Å; C2293-W2305 HydrophobicContact CB-CH2 3.7Å; C2293-W2305 HydrophobicContact CB-CZ2 3.38Å; C2293-K2333 WeakPolarHBondContact O-CA 2.86Å; C2293-K2333 WeakPolarHBondContact O-CG 2.89Å; C2293-S2334 PolarHBondContact N-O 2.83Å; C2293-S2334 PolarHBondContact O-N 3.19Å; C2293-C2351 HydrophobicContact CB-CB 3.61Å; C2293-C2351 WeakPolarHBondContact CB-SG 3.05Å; C2293-C2351 WeakPolarHBondContact SG-CB 3.02Å; C2293-C2351 CovalentContact SG-SG 2.03Å; C2293-C2351 PolarHBondContact SG-SG 2.94Å |
| 2294 | E | 88 | Confident | 83.3 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143 | -174.2 | -177.2 | 158.2 | -159.7 | 0 | 0 | 108.3 | I2273 S2325 S2326 S2332 K2333 | I2273-E2294 HydrophobicContact CB-CG 4.46Å; I2273-E2294 PolarHBondContact N-O 2.7Å; E2294-S2325 WeakPolarHBondContact OE1-CA 3.03Å; E2294-S2325 PolarHBondContact OE1-OG 3.42Å; E2294-S2326 WeakPolarHBondContact OE1-CB 3.28Å; E2294-S2326 PolarHBondContact OE1-N 3.35Å; E2294-S2326 PolarHBondContact OE1-OG 3.44Å; E2294-S2332 CarbonylContact C-O 3.09Å; E2294-S2332 WeakPolarHBondContact CA-O 3.37Å; E2294-K2333 HydrophobicContact CB-CB 4.27Å; E2294-K2333 HydrophobicContact CB-CD 4.2Å; E2294-K2333 HydrophobicContact CB-CG 3.99Å; E2294-K2333 HydrophobicContact CG-CB 4.15Å; E2294-K2333 HydrophobicContact CG-CD 4.21Å; E2294-K2333 HydrophobicContact CG-CG 4.25Å; E2294-K2333 WeakPolarHBondContact OE2-CD 3.3Å; E2294-K2333 WeakPolarHBondContact OE2-CE 3.49Å; E2294-K2333 IonicContact OE2-NZ 3.29Å; E2294-K2333 PolarHBondContact OE2-NZ 3.24Å |
| 2295 | A | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 143 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2271 I2272 P2301 I2303 G2331 S2332 A2353 | T2271-A2295 CarbonylContact O-C 3.48Å; T2271-A2295 WeakPolarHBondContact O-CA 3.47Å; T2271-A2295 WeakPolarHBondContact O-CB 3.08Å; I2272-A2295 HydrophobicContact CD1-CB 4.24Å; A2295-P2301 HydrophobicContact CB-CG 3.76Å; A2295-I2303 HydrophobicContact CB-CD1 4Å; A2295-I2303 HydrophobicContact CB-CG1 4.46Å; A2295-G2331 CarbonylContact O-C 3.57Å; A2295-G2331 WeakPolarHBondContact O-CA 3.02Å; A2295-S2332 PolarHBondContact N-O 3.13Å; A2295-S2332 PolarHBondContact O-N 3Å; A2295-A2353 HydrophobicContact CB-CB 3.79Å |
| 2296 | S | 84.1 | Confident | 84.1 | Confident | 30 Ų | 30 | 22.6 Ų | 22.6 | 21% | 0.21 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 151 | 165.2 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | P2270 T2271 L2327 K2330 | P2270-S2296 CarbonylContact C-O 3.51Å; P2270-S2296 WeakPolarHBondContact CA-O 3.12Å; T2271-S2296 PolarHBondContact N-O 3.32Å; T2271-S2296 PolarHBondContact O-N 2.04Å; S2296-L2327 VanDerWaalsContact CB-CD1 3.47Å; S2296-K2330 WeakPolarHBondContact CA-O 3.35Å |
| 2297 | G | 81.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 157.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S2268 P2299 K2330 | S2268-G2297 WeakPolarHBondContact O-CA 3.42Å; G2297-P2299 CarbonylContact C-O 3.39Å; G2297-P2299 CarbonylContact O-C 3.2Å; G2297-K2330 PolarHBondContact N-O 2.99Å; G2297-K2330 VanDerWaalsContact N-O 3.1Å; G2297-K2330 CarbonylContact O-C 3.54Å |
| 2298 | V | 76.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 110.5 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | W2251 C2252 D2266 S2268 K2330 | W2251-V2298 HydrophobicContact CH2-CG1 4.07Å; W2251-V2298 HydrophobicContact CZ2-CG1 3.43Å; W2251-V2298 VanDerWaalsContact CZ2-CG1 3.43Å; C2252-V2298 PolarHBondContact SG-O 2.03Å; C2252-V2298 VanDerWaalsContact SG-O 3.41Å; D2266-V2298 WeakPolarHBondContact O-CB 3.41Å; S2268-V2298 PolarHBondContact N-O 3.39Å; S2268-V2298 VanDerWaalsContact N-O 3.09Å; S2268-V2298 PolarHBondContact O-N 3.42Å; S2268-V2298 WeakPolarHBondContact OG-CG2 3.21Å; S2268-V2298 PolarHBondContact OG-N 3.42Å; V2298-K2330 HydrophobicContact CG2-CB 4.44Å; V2298-K2330 HydrophobicContact CG2-CD 4.24Å; V2298-K2330 HydrophobicContact CG2-CG 4.07Å |
| 2299 | P | 77.6 | Confident | 84 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | S | Bend | cis | -62.3 | 158.4 | 0 | 26.5 | -37.4 | 0 | 0 | 0 | 114.3 | W2251 G2297 T2355 | W2251-P2299 HydrophobicContact CB-CB 4.37Å; W2251-P2299 HydrophobicContact CD2-CB 3.99Å; W2251-P2299 HydrophobicContact CE3-CB 3.6Å; W2251-P2299 HydrophobicContact CG-CB 4.33Å; W2251-P2299 HydrophobicContact CZ3-CB 4.25Å; W2251-P2299 VanDerWaalsContact O-CD 3.29Å; W2251-P2299 WeakPolarHBondContact O-CD 3.37Å; W2251-P2299 WeakPolarHBondContact O-CG 3.11Å; G2297-P2299 CarbonylContact C-O 3.39Å; G2297-P2299 CarbonylContact O-C 3.2Å; P2299-T2355 WeakPolarHBondContact O-CG2 3Å |
| 2300 | P | 78.2 | Confident | 83.5 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.032 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 124.7 | -179 | -27.3 | 37.3 | 0 | 0 | 0 | 112.8 | R2225 V2226 W2251 C2329 S2332 | R2225-P2300 WeakPolarHBondContact CD-O 2.98Å; R2225-P2300 WeakPolarHBondContact CG-O 3.04Å; V2226-P2300 HydrophobicContact CG2-CB 3.79Å; V2226-P2300 HydrophobicContact CG2-CG 3.82Å; W2251-P2300 HydrophobicContact CZ3-CG 4.41Å; P2300-C2329 WeakPolarHBondContact CG-O 3.37Å; P2300-S2332 WeakPolarHBondContact CB-OG 3Å |
| 2301 | P | 82.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -81 | 135.2 | -166.5 | 31.1 | -36.8 | 0 | 0 | 0 | 114 | P2270 A2295 S2332 A2353 L2354 T2355 | P2270-P2301 HydrophobicContact CB-CB 4.03Å; A2295-P2301 HydrophobicContact CB-CG 3.76Å; P2301-S2332 WeakPolarHBondContact CD-OG 3.06Å; P2301-S2332 WeakPolarHBondContact O-CB 3.33Å; P2301-S2332 PolarHBondContact O-OG 2.79Å; P2301-A2353 HydrophobicContact CB-CB 4.14Å; P2301-L2354 CarbonylContact C-O 3.57Å; P2301-L2354 WeakPolarHBondContact CA-O 3.34Å; P2301-L2354 WeakPolarHBondContact CB-O 3.17Å; P2301-T2355 HydrophobicContact CB-CG2 3.93Å |
| 2302 | M | 82.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 138.1 | 174.6 | -161.8 | 175.9 | -69.2 | 0 | 0 | 110.8 | L2201 D2223 T2224 R2225 A2353 L2354 | L2201-M2302 HydrophobicContact CB-SD 4.04Å; L2201-M2302 HydrophobicContact CD2-SD 3.97Å; L2201-M2302 HydrophobicContact CG-SD 4.16Å; L2201-M2302 WeakPolarHBondContact O-CE 3.38Å; D2223-M2302 WeakPolarHBondContact OD1-CE 2.97Å; T2224-M2302 WeakPolarHBondContact OG1-CG 3.36Å; R2225-M2302 HydrophobicContact CG-CB 3.87Å; R2225-M2302 HydrophobicContact CG-CE 4.05Å; R2225-M2302 HydrophobicContact CG-CG 4.28Å; M2302-A2353 CarbonylContact O-C 3.23Å; M2302-A2353 VanDerWaalsContact O-CA 3.32Å; M2302-A2353 WeakPolarHBondContact O-CA 3.31Å; M2302-L2354 PolarHBondContact N-O 2.89Å; M2302-L2354 PolarHBondContact O-N 3.41Å |
| 2303 | I | 84.7 | Confident | 81.6 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.2 | -174.9 | -59.2 | 179.7 | 0 | 0 | 0 | 112.3 | T2224 C2293 A2295 S2332 C2351 E2352 A2353 | T2224-I2303 PolarHBondContact OG1-N 3.35Å; T2224-I2303 VanDerWaalsContact OG1-N 3.11Å; C2293-I2303 HydrophobicContact CB-CG2 4Å; A2295-I2303 HydrophobicContact CB-CD1 4Å; A2295-I2303 HydrophobicContact CB-CG1 4.46Å; I2303-S2332 VanDerWaalsContact CD1-O 3.32Å; I2303-S2332 WeakPolarHBondContact CD1-O 3.33Å; I2303-C2351 HydrophobicContact CG2-CB 4.14Å; I2303-E2352 WeakPolarHBondContact CA-O 3.42Å; I2303-A2353 HydrophobicContact CG1-CB 4.49Å |
| 2304 | I | 84.5 | Confident | 80.8 | Confident | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 151.9 | 178.6 | -55.7 | -171.6 | 0 | 0 | 0 | 110 | P2181 I2182 L2201 C2351 E2352 L2354 | P2181-I2304 HydrophobicContact CB-CG2 3.91Å; I2182-I2304 HydrophobicContact CB-CD1 4.32Å; I2182-I2304 HydrophobicContact CG1-CD1 3.94Å; I2182-I2304 HydrophobicContact CG2-CD1 4.22Å; L2201-I2304 HydrophobicContact CB-CD1 3.92Å; L2201-I2304 HydrophobicContact CD2-CD1 3.73Å; L2201-I2304 HydrophobicContact CD2-CG1 3.77Å; L2201-I2304 HydrophobicContact CG-CD1 4.38Å; I2304-C2351 CarbonylContact O-C 3.39Å; I2304-C2351 WeakPolarHBondContact O-CA 3.39Å; I2304-C2351 WeakPolarHBondContact O-CB 3.31Å; I2304-E2352 PolarHBondContact N-O 3.1Å; I2304-E2352 PolarHBondContact O-N 2.83Å; I2304-L2354 HydrophobicContact CD1-CD1 3.51Å; I2304-L2354 HydrophobicContact CD1-CG 4.45Å; I2304-L2354 HydrophobicContact CG1-CD1 4.29Å |
| 2305 | W | 87.3 | Confident | 79.7 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.038 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.6 | 177.4 | -72.7 | 87.2 | 0 | 0 | 0 | 111.4 | L2291 C2293 L2312 T2320 S2334 L2336 C2351 I2365 | L2291-W2305 HydrophobicContact CB-CH2 3.44Å; L2291-W2305 VanDerWaalsContact CB-CH2 3.44Å; L2291-W2305 HydrophobicContact CB-CZ2 4.29Å; L2291-W2305 HydrophobicContact CB-CZ3 3.66Å; L2291-W2305 HydrophobicContact CD1-CZ3 3.92Å; L2291-W2305 HydrophobicContact CG-CZ3 4.46Å; C2293-W2305 HydrophobicContact CB-CH2 3.7Å; C2293-W2305 HydrophobicContact CB-CZ2 3.38Å; W2305-L2312 HydrophobicContact CB-CD1 4.31Å; W2305-T2320 HydrophobicContact CB-CG2 4.45Å; W2305-T2320 HydrophobicContact CG-CG2 4.22Å; W2305-S2334 PolarHBondContact NE1-OG 2.78Å; W2305-S2334 VanDerWaalsContact NE1-OG 3.08Å; W2305-L2336 HydrophobicContact CB-CD2 4.24Å; W2305-L2336 HydrophobicContact CD2-CB 3.68Å; W2305-L2336 HydrophobicContact CD2-CD2 3.97Å; W2305-L2336 HydrophobicContact CD2-CG 4.47Å; W2305-L2336 HydrophobicContact CE3-CB 4.12Å; W2305-L2336 HydrophobicContact CE3-CD2 3.86Å; W2305-L2336 HydrophobicContact CG-CB 4.03Å; W2305-L2336 HydrophobicContact CG-CD2 4.17Å; W2305-L2336 HydrophobicContact CH2-CB 4.44Å; W2305-L2336 HydrophobicContact CZ2-CB 4.02Å; W2305-L2336 HydrophobicContact CZ3-CB 4.48Å; W2305-C2351 HydrophobicContact CD2-CB 4.13Å; W2305-C2351 HydrophobicContact CE3-CB 4.11Å; W2305-C2351 HydrophobicContact CZ3-CB 4.31Å; W2305-I2365 HydrophobicContact CZ3-CD1 4.38Å |
| 2306 | R | 86 | Confident | 78.9 | Confident | 32 Ų | 32 | 34.6 Ų | 34.6 | 12% | 0.121 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.1 | 177.2 | -61.8 | 176.6 | 176.8 | -99 | -3.8 | 111 | P2181 R2310 Y2349 N2350 E2352 | P2181-R2306 HydrophobicContact CB-CG 4.44Å; P2181-R2306 HydrophobicContact CG-CG 4.25Å; R2306-R2310 CarbonylContact C-O 3.58Å; R2306-R2310 VanDerWaalsContact CA-O 3.29Å; R2306-R2310 WeakPolarHBondContact CA-O 3.43Å; R2306-Y2349 WeakPolarHBondContact O-CA 3.44Å; R2306-N2350 WeakPolarHBondContact CB-OD1 3.08Å; R2306-N2350 PolarHBondContact N-O 2.97Å; R2306-N2350 PolarHBondContact O-N 2.77Å; R2306-E2352 IonicContact CZ-OE2 2.74Å; R2306-E2352 IonicContact NE-OE2 2.72Å; R2306-E2352 PolarHBondContact NE-OE2 2.89Å; R2306-E2352 IonicContact NH2-OE1 3.88Å; R2306-E2352 IonicContact NH2-OE2 2.63Å; R2306-E2352 PolarHBondContact NH2-OE2 3.13Å |
| 2307 | F | 86.6 | Confident | 78.6 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.5 | 173.5 | 172 | -120 | 0 | 0 | 0 | 110 | W2309 R2310 L2312 R2313 I2348 Y2349 | F2307-W2309 PolarHBondContact O-N 2.73Å; F2307-R2310 PolarHBondContact N-O 3.4Å; F2307-R2310 CarbonylContact O-C 3.55Å; F2307-R2310 PolarHBondContact O-N 3.04Å; F2307-L2312 HydrophobicContact CB-CD2 4.11Å; F2307-R2313 HydrophobicContact CD1-CG 4.27Å; F2307-R2313 HydrophobicContact CE1-CG 4.46Å; F2307-I2348 CarbonylContact C-O 3.54Å; F2307-I2348 WeakPolarHBondContact CA-O 3.36Å; F2307-I2348 WeakPolarHBondContact CD2-O 3.14Å; F2307-Y2349 HydrophobicContact CB-CD1 4.15Å; F2307-Y2349 HydrophobicContact CB-CE1 3.91Å; F2307-Y2349 HydrophobicContact CD2-CD1 4.08Å; F2307-Y2349 AromaticContact CD2-CD2 3.88Å; F2307-Y2349 HydrophobicContact CD2-CD2 3.88Å; F2307-Y2349 AromaticContact CD2-CE1 3.64Å; F2307-Y2349 HydrophobicContact CD2-CE1 3.64Å; F2307-Y2349 AromaticContact CD2-CE2 3.41Å; F2307-Y2349 HydrophobicContact CD2-CE2 3.41Å; F2307-Y2349 VanDerWaalsContact CD2-CE2 3.41Å; F2307-Y2349 HydrophobicContact CD2-CG 4.19Å; F2307-Y2349 AromaticContact CD2-CZ 3.28Å; F2307-Y2349 HydrophobicContact CE2-CD2 4.3Å; F2307-Y2349 HydrophobicContact CE2-CE1 4.45Å; F2307-Y2349 AromaticContact CE2-CE2 3.57Å; F2307-Y2349 HydrophobicContact CE2-CE2 3.57Å; F2307-Y2349 AromaticContact CE2-CZ 3.66Å; F2307-Y2349 HydrophobicContact CG-CE1 4.01Å |
| 2308 | N | 80.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 46.9 | -171.9 | -76.3 | -14.5 | 0 | 0 | 0 | 111.8 | E2055 R2057 R2310 I2348 | E2055-N2308 PolarHBondContact O-ND2 2.69Å; R2057-N2308 HydrophobicContact CB-CB 4.3Å; R2057-N2308 HydrophobicContact CG-CB 4.47Å; N2308-R2310 PolarHBondContact O-N 2.7Å; N2308-R2310 VanDerWaalsContact O-N 3.16Å; N2308-I2348 PolarHBondContact N-O 3.01Å; N2308-I2348 PolarHBondContact OD1-N 2.57Å |
| 2309 | W | 78.4 | Confident | 78.9 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 16% | 0.163 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 8.3 | -177.4 | -69.2 | 79.2 | 0 | 0 | 0 | 116.6 | F2307 N2350 M2361 | F2307-W2309 PolarHBondContact O-N 2.73Å; W2309-N2350 WeakPolarHBondContact CZ2-ND2 3.47Å; W2309-M2361 HydrophobicContact CE3-CE 4.34Å; W2309-M2361 HydrophobicContact CH2-CE 3.55Å; W2309-M2361 HydrophobicContact CH2-SD 3.75Å; W2309-M2361 HydrophobicContact CZ2-CE 4.43Å; W2309-M2361 HydrophobicContact CZ3-CE 3.53Å; W2309-M2361 HydrophobicContact CZ3-SD 3.63Å |
| 2310 | R | 76.5 | Confident | 79.1 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 25% | 0.249 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | -174.2 | -178.1 | -61.4 | 179.6 | 180 | -158.9 | -5.6 | 111.7 | R2057 E2137 Y2178 R2306 F2307 N2308 | R2057-R2310 VanDerWaalsContact CD-CZ 3.47Å; R2057-R2310 VanDerWaalsContact CD-NE 3.35Å; R2057-R2310 VanDerWaalsContact NH1-NH2 3.13Å; E2137-R2310 IonicContact OE1-NH2 3.92Å; E2137-R2310 PolarHBondContact OE1-NH2 2.81Å; E2137-R2310 IonicContact OE2-CZ 2.74Å; E2137-R2310 IonicContact OE2-NE 3.24Å; E2137-R2310 IonicContact OE2-NH2 3.35Å; E2137-R2310 PolarHBondContact OE2-NH2 3.46Å; Y2178-R2310 PolarHBondContact OH-NE 2.03Å; Y2178-R2310 VanDerWaalsContact OH-NE 3.11Å; Y2178-R2310 PolarHBondContact OH-NH1 2.79Å; Y2178-R2310 PolarHBondContact OH-NH2 2.82Å; R2306-R2310 CarbonylContact C-O 3.58Å; R2306-R2310 VanDerWaalsContact CA-O 3.29Å; R2306-R2310 WeakPolarHBondContact CA-O 3.43Å; F2307-R2310 PolarHBondContact N-O 3.4Å; F2307-R2310 CarbonylContact O-C 3.55Å; F2307-R2310 PolarHBondContact O-N 3.04Å; N2308-R2310 PolarHBondContact O-N 2.7Å; N2308-R2310 VanDerWaalsContact O-N 3.16Å |
| 2311 | C | 74.7 | Confident | 79.2 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | trans | -60.8 | 159.2 | 174.2 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | C2179 | C2179-C2311 HydrophobicContact CB-CB 3.8Å; C2179-C2311 WeakPolarHBondContact CB-SG 3.32Å; C2179-C2311 PolarHBondContact O-SG 2.79Å; C2179-C2311 WeakPolarHBondContact SG-CB 3.07Å; C2179-C2311 CovalentContact SG-SG 2.04Å; C2179-C2311 PolarHBondContact SG-SG 2.84Å | ||
| 2312 | L | 80.3 | Confident | 79 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | trans | -64.5 | 136.6 | 163.7 | -58.7 | 177.1 | 0 | 0 | 0 | 109.7 | W2305 F2307 M2318 T2320 L2336 Y2349 | W2305-L2312 HydrophobicContact CB-CD1 4.31Å; F2307-L2312 HydrophobicContact CB-CD2 4.11Å; L2312-M2318 HydrophobicContact CB-CB 4.34Å; L2312-M2318 HydrophobicContact CB-SD 3.88Å; L2312-M2318 HydrophobicContact CD1-CB 4.27Å; L2312-M2318 HydrophobicContact CD2-SD 4.11Å; L2312-T2320 HydrophobicContact CD1-CG2 4.2Å; L2312-L2336 HydrophobicContact CD1-CD1 3.74Å; L2312-L2336 HydrophobicContact CD1-CD2 4.45Å; L2312-L2336 HydrophobicContact CD2-CD2 4.01Å; L2312-Y2349 HydrophobicContact CD2-CD1 4.48Å; L2312-Y2349 HydrophobicContact CD2-CE1 4.18Å | ||
| 2313 | R | 70.1 | Confident | 78.9 | Confident | 138 Ų | 138 | 48.4 Ų | 48.4 | 52% | 0.521 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -82 | -15.2 | -170 | -65.6 | -175.9 | 179.8 | -166.3 | -3.5 | 115.1 | E2055 F2307 | E2055-R2313 IonicContact OE1-NH2 3.04Å; E2055-R2313 IonicContact OE2-CZ 2.83Å; E2055-R2313 IonicContact OE2-NH1 3.91Å; E2055-R2313 PolarHBondContact OE2-NH1 2.92Å; E2055-R2313 IonicContact OE2-NH2 3.5Å; E2055-R2313 PolarHBondContact OE2-NH2 3.45Å; F2307-R2313 HydrophobicContact CD1-CG 4.27Å; F2307-R2313 HydrophobicContact CE1-CG 4.46Å |
| 2314 | D | 69 | Low | 78.5 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | trans | -156.3 | 87.8 | -169 | 176.1 | -1.2 | 0 | 0 | 0 | 110.6 | T2316 R2317 M2318 | D2314-T2316 PolarHBondContact O-N 2.83Å; D2314-T2316 WeakPolarHBondContact OD1-CA 3.03Å; D2314-T2316 WeakPolarHBondContact OD1-CB 3.48Å; D2314-T2316 PolarHBondContact OD1-N 3.33Å; D2314-T2316 PolarHBondContact OD1-OG1 2.91Å; D2314-R2317 PolarHBondContact O-N 3Å; D2314-R2317 PolarHBondContact OD1-N 2.01Å; D2314-R2317 WeakPolarHBondContact OD2-CG 3.26Å; D2314-R2317 IonicContact OD2-CZ 3.39Å; D2314-R2317 IonicContact OD2-NE 2.71Å; D2314-R2317 PolarHBondContact OD2-NE 3.46Å; D2314-R2317 IonicContact OD2-NH2 3.61Å; D2314-R2317 PolarHBondContact OD2-NH2 2.98Å; D2314-M2318 WeakPolarHBondContact O-CA 3.23Å; D2314-M2318 WeakPolarHBondContact O-CB 3.34Å; D2314-M2318 WeakPolarHBondContact O-CG 3.18Å; D2314-M2318 PolarHBondContact O-N 3.05Å | ||
| 2315 | E | 65.8 | Low | 78.1 | Confident | 138 Ų | 138 | 52.7 Ų | 52.7 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.9 | 178.7 | -65.5 | -169.2 | 172.6 | 0 | 0 | 113.3 | K2184 | K2184-E2315 IonicContact NZ-OE1 3.11Å; K2184-E2315 PolarHBondContact NZ-OE1 3.14Å |
| 2316 | T | 69.3 | Low | 77.7 | Confident | 132 Ų | 132 | 56.5 Ų | 56.5 | 81% | 0.81 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -31 | 178.6 | 78.6 | 0 | 0 | 0 | 0 | 113 | D2314 | D2314-T2316 PolarHBondContact O-N 2.83Å; D2314-T2316 WeakPolarHBondContact OD1-CA 3.03Å; D2314-T2316 WeakPolarHBondContact OD1-CB 3.48Å; D2314-T2316 PolarHBondContact OD1-N 3.33Å; D2314-T2316 PolarHBondContact OD1-OG1 2.91Å |
| 2317 | R | 79.5 | Confident | 77.2 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -34.6 | 172.3 | -67.9 | -171 | -54.5 | 114.5 | 15.4 | 113.1 | D2314 R2319 T2337 I2338 E2339 N2340 D2345 | D2314-R2317 PolarHBondContact O-N 3Å; D2314-R2317 PolarHBondContact OD1-N 2.01Å; D2314-R2317 WeakPolarHBondContact OD2-CG 3.26Å; D2314-R2317 IonicContact OD2-CZ 3.39Å; D2314-R2317 IonicContact OD2-NE 2.71Å; D2314-R2317 PolarHBondContact OD2-NE 3.46Å; D2314-R2317 IonicContact OD2-NH2 3.61Å; D2314-R2317 PolarHBondContact OD2-NH2 2.98Å; R2317-R2319 PolarHBondContact O-N 3.38Å; R2317-T2337 VanDerWaalsContact O-O 3.1Å; R2317-I2338 WeakPolarHBondContact O-CA 3.22Å; R2317-E2339 WeakPolarHBondContact CD-O 3.46Å; R2317-E2339 PolarHBondContact O-N 3.48Å; R2317-N2340 PolarHBondContact NH1-O 3.35Å; R2317-D2345 IonicContact CZ-OD1 3.27Å; R2317-D2345 IonicContact CZ-OD2 3.47Å; R2317-D2345 IonicContact NH1-OD1 3.69Å; R2317-D2345 IonicContact NH1-OD2 3.55Å; R2317-D2345 PolarHBondContact NH1-OD2 2.85Å; R2317-D2345 IonicContact NH2-OD1 2.66Å; R2317-D2345 PolarHBondContact NH2-OD1 3.04Å; R2317-D2345 IonicContact NH2-OD2 2.68Å; R2317-D2345 PolarHBondContact NH2-OD2 3.4Å |
| 2318 | M | 82.6 | Confident | 76.6 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 81.5 | -176.9 | -55.9 | -173.7 | 176.8 | 0 | 0 | 110 | L2312 D2314 L2336 T2337 I2338 D2345 | L2312-M2318 HydrophobicContact CB-CB 4.34Å; L2312-M2318 HydrophobicContact CB-SD 3.88Å; L2312-M2318 HydrophobicContact CD1-CB 4.27Å; L2312-M2318 HydrophobicContact CD2-SD 4.11Å; D2314-M2318 WeakPolarHBondContact O-CA 3.23Å; D2314-M2318 WeakPolarHBondContact O-CB 3.34Å; D2314-M2318 WeakPolarHBondContact O-CG 3.18Å; D2314-M2318 PolarHBondContact O-N 3.05Å; M2318-L2336 HydrophobicContact CB-CD1 4.28Å; M2318-T2337 CarbonylContact C-O 3.53Å; M2318-T2337 WeakPolarHBondContact CA-O 3.49Å; M2318-I2338 HydrophobicContact CB-CG1 4.37Å; M2318-I2338 HydrophobicContact CE-CD1 4.23Å; M2318-I2338 HydrophobicContact CE-CG2 4.45Å; M2318-I2338 HydrophobicContact CG-CB 4.48Å; M2318-I2338 HydrophobicContact CG-CD1 4.15Å; M2318-I2338 HydrophobicContact CG-CG1 3.99Å; M2318-I2338 HydrophobicContact CG-CG2 3.99Å; M2318-I2338 HydrophobicContact SD-CD1 4.32Å; M2318-D2345 HydrophobicContact CE-CB 4.38Å; M2318-D2345 WeakPolarHBondContact CE-OD1 3.31Å |
| 2319 | R | 81.5 | Confident | 76.1 | Confident | 141 Ų | 141 | 67.3 Ų | 67.3 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.3 | -177.2 | -173.3 | 172.6 | -172.3 | -87.1 | -6 | 111.6 | R2317 Q2321 T2337 | R2317-R2319 PolarHBondContact O-N 3.38Å; R2319-Q2321 VanDerWaalsContact NH1-OE1 3.1Å; R2319-T2337 PolarHBondContact N-O 3.27Å; R2319-T2337 PolarHBondContact O-N 2.94Å |
| 2320 | T | 81.9 | Confident | 75.9 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 152.1 | 164 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | W2305 L2312 R2335 L2336 | W2305-T2320 HydrophobicContact CB-CG2 4.45Å; W2305-T2320 HydrophobicContact CG-CG2 4.22Å; L2312-T2320 HydrophobicContact CD1-CG2 4.2Å; T2320-R2335 CarbonylContact C-O 3.58Å; T2320-R2335 WeakPolarHBondContact CA-O 3.33Å; T2320-L2336 HydrophobicContact CG2-CD1 4.01Å |
| 2321 | Q | 80.6 | Confident | 76 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 141.4 | 172.3 | 54 | 171.8 | 57.3 | 0 | 0 | 111.6 | R2319 S2334 R2335 | R2319-Q2321 VanDerWaalsContact NH1-OE1 3.1Å; Q2321-S2334 WeakPolarHBondContact O-CA 2.96Å; Q2321-R2335 HydrophobicContact CG-CB 4.09Å; Q2321-R2335 WeakPolarHBondContact CG-O 3.48Å; Q2321-R2335 PolarHBondContact N-O 2.04Å; Q2321-R2335 PolarHBondContact O-N 3.06Å |
| 2322 | A | 77.1 | Confident | 76.4 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 143.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | D2223 P2227 | D2223-A2322 VanDerWaalsContact O-CB 3.23Å; D2223-A2322 WeakPolarHBondContact O-CB 3.38Å; P2227-A2322 HydrophobicContact CB-CB 3.86Å; P2227-A2322 HydrophobicContact CG-CB 4.09Å |
| 2323 | V | 80.4 | Confident | 76.7 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | trans | -138 | 144.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | P2227 S2325 K2333 R2335 | P2227-V2323 VanDerWaalsContact CG-C 3.43Å; P2227-V2323 VanDerWaalsContact CG-O 3.26Å; P2227-V2323 WeakPolarHBondContact CG-O 3.45Å; V2323-S2325 PolarHBondContact O-N 3.16Å; V2323-K2333 HydrophobicContact CB-CD 4.45Å; V2323-K2333 HydrophobicContact CB-CG 4.25Å; V2323-K2333 HydrophobicContact CG1-CD 4.33Å; V2323-K2333 PolarHBondContact N-O 2.94Å; V2323-K2333 WeakPolarHBondContact O-CB 3.45Å; V2323-K2333 VanDerWaalsContact O-O 3.14Å; V2323-R2335 HydrophobicContact CG2-CB 3.75Å | ||
| 2324 | P | 76.5 | Confident | 77.5 | Confident | 90 Ų | 90 | 59 Ų | 59 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | trans | -52.6 | 127.9 | 174.3 | -29.1 | 36.9 | 0 | 0 | 0 | 112.4 | ||||
| 2325 | S | 76.5 | Confident | 78.4 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -75.5 | 150 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | E2294 V2323 L2327 E2328 G2331 | E2294-S2325 WeakPolarHBondContact OE1-CA 3.03Å; E2294-S2325 PolarHBondContact OE1-OG 3.42Å; V2323-S2325 PolarHBondContact O-N 3.16Å; S2325-L2327 PolarHBondContact O-N 3.26Å; S2325-L2327 PolarHBondContact OG-N 2.85Å; S2325-L2327 VanDerWaalsContact OG-N 3.09Å; S2325-E2328 PolarHBondContact O-N 2.87Å; S2325-G2331 WeakPolarHBondContact CB-O 3.17Å | ||
| 2326 | S | 77.6 | Confident | 79.5 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.5 | 166.6 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | E2294 | E2294-S2326 WeakPolarHBondContact OE1-CB 3.28Å; E2294-S2326 PolarHBondContact OE1-N 3.35Å; E2294-S2326 PolarHBondContact OE1-OG 3.44Å |
| 2327 | L | 76.3 | Confident | 80.4 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 15 | 177.3 | -60 | -176.7 | 0 | 0 | 0 | 114 | I2273 S2296 S2325 C2329 K2330 | I2273-L2327 HydrophobicContact CD1-CD1 3.42Å; I2273-L2327 VanDerWaalsContact CD1-CD1 3.42Å; I2273-L2327 HydrophobicContact CD1-CG 4.26Å; S2296-L2327 VanDerWaalsContact CB-CD1 3.47Å; S2325-L2327 PolarHBondContact O-N 3.26Å; S2325-L2327 PolarHBondContact OG-N 2.85Å; S2325-L2327 VanDerWaalsContact OG-N 3.09Å; L2327-C2329 PolarHBondContact O-N 2.75Å; L2327-K2330 PolarHBondContact O-N 3.27Å |
| 2328 | E | 73.4 | Confident | 80.8 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -101.5 | 177.1 | -57.7 | -175.5 | 161.9 | 0 | 0 | 113.6 | S2325 | S2325-E2328 PolarHBondContact O-N 2.87Š|
| 2329 | C | 70.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4 | 179.3 | -46.7 | 0 | 0 | 0 | 0 | 114 | C2231 P2300 L2327 | C2231-C2329 HydrophobicContact CB-CB 3.85Å; C2231-C2329 WeakPolarHBondContact CB-SG 3.41Å; C2231-C2329 VanDerWaalsContact SG-CA 3.52Å; C2231-C2329 WeakPolarHBondContact SG-CB 3.48Å; C2231-C2329 CovalentContact SG-SG 2.04Å; C2231-C2329 PolarHBondContact SG-SG 2.78Å; P2300-C2329 WeakPolarHBondContact CG-O 3.37Å; L2327-C2329 PolarHBondContact O-N 2.75Å |
| 2330 | K | 73.3 | Confident | 80.8 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -106.7 | 15.3 | 176.2 | -73.3 | -160 | 172.4 | -165.2 | 0 | 113.7 | D2266 S2296 G2297 V2298 L2327 | D2266-K2330 IonicContact OD1-NZ 3.65Å; D2266-K2330 PolarHBondContact OD1-NZ 3.45Å; D2266-K2330 WeakPolarHBondContact OD2-CE 3.46Å; D2266-K2330 IonicContact OD2-NZ 2.85Å; D2266-K2330 PolarHBondContact OD2-NZ 3.28Å; S2296-K2330 WeakPolarHBondContact CA-O 3.35Å; G2297-K2330 PolarHBondContact N-O 2.99Å; G2297-K2330 VanDerWaalsContact N-O 3.1Å; G2297-K2330 CarbonylContact O-C 3.54Å; V2298-K2330 HydrophobicContact CG2-CB 4.44Å; V2298-K2330 HydrophobicContact CG2-CD 4.24Å; V2298-K2330 HydrophobicContact CG2-CG 4.07Å; L2327-K2330 PolarHBondContact O-N 3.27Å |
| 2331 | G | 79.1 | Confident | 81 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 167.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2295 S2325 | A2295-G2331 CarbonylContact O-C 3.57Å; A2295-G2331 WeakPolarHBondContact O-CA 3.02Å; S2325-G2331 WeakPolarHBondContact CB-O 3.17Å |
| 2332 | S | 83.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.5 | -164.2 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | R2225 E2294 A2295 P2300 P2301 I2303 | R2225-S2332 VanDerWaalsContact O-CB 3.29Å; R2225-S2332 WeakPolarHBondContact O-CB 3.37Å; R2225-S2332 PolarHBondContact O-OG 3.35Å; E2294-S2332 CarbonylContact C-O 3.09Å; E2294-S2332 WeakPolarHBondContact CA-O 3.37Å; A2295-S2332 PolarHBondContact N-O 3.13Å; A2295-S2332 PolarHBondContact O-N 3Å; P2300-S2332 WeakPolarHBondContact CB-OG 3Å; P2301-S2332 WeakPolarHBondContact CD-OG 3.06Å; P2301-S2332 WeakPolarHBondContact O-CB 3.33Å; P2301-S2332 PolarHBondContact O-OG 2.79Å; I2303-S2332 VanDerWaalsContact CD1-O 3.32Å; I2303-S2332 WeakPolarHBondContact CD1-O 3.33Å |
| 2333 | K | 86 | Confident | 81.1 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 131.8 | -177.8 | -175.2 | 175.1 | -164.6 | 151.7 | 0 | 111.8 | E2292 C2293 E2294 V2323 | E2292-K2333 WeakPolarHBondContact OE2-CE 3.35Å; E2292-K2333 IonicContact OE2-NZ 2.73Å; E2292-K2333 PolarHBondContact OE2-NZ 2.97Å; C2293-K2333 WeakPolarHBondContact O-CA 2.86Å; C2293-K2333 WeakPolarHBondContact O-CG 2.89Å; E2294-K2333 HydrophobicContact CB-CB 4.27Å; E2294-K2333 HydrophobicContact CB-CD 4.2Å; E2294-K2333 HydrophobicContact CB-CG 3.99Å; E2294-K2333 HydrophobicContact CG-CB 4.15Å; E2294-K2333 HydrophobicContact CG-CD 4.21Å; E2294-K2333 HydrophobicContact CG-CG 4.25Å; E2294-K2333 WeakPolarHBondContact OE2-CD 3.3Å; E2294-K2333 WeakPolarHBondContact OE2-CE 3.49Å; E2294-K2333 IonicContact OE2-NZ 3.29Å; E2294-K2333 PolarHBondContact OE2-NZ 3.24Å; V2323-K2333 HydrophobicContact CB-CD 4.45Å; V2323-K2333 HydrophobicContact CB-CG 4.25Å; V2323-K2333 HydrophobicContact CG1-CD 4.33Å; V2323-K2333 PolarHBondContact N-O 2.94Å; V2323-K2333 WeakPolarHBondContact O-CB 3.45Å; V2323-K2333 VanDerWaalsContact O-O 3.14Å |
| 2334 | S | 87.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.5 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | C2293 W2305 Q2321 | C2293-S2334 PolarHBondContact N-O 2.83Å; C2293-S2334 PolarHBondContact O-N 3.19Å; W2305-S2334 PolarHBondContact NE1-OG 2.78Å; W2305-S2334 VanDerWaalsContact NE1-OG 3.08Å; Q2321-S2334 WeakPolarHBondContact O-CA 2.96Å |
| 2335 | R | 87.7 | Confident | 81.6 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.2 | 174.6 | 177.9 | -171.5 | -68.2 | 159.8 | -0.6 | 109.2 | I2290 L2291 E2292 T2320 Q2321 V2323 | I2290-R2335 HydrophobicContact CG2-CG 3.55Å; L2291-R2335 CarbonylContact O-C 3.54Å; L2291-R2335 VanDerWaalsContact O-CA 3.32Å; L2291-R2335 WeakPolarHBondContact O-CA 3.4Å; E2292-R2335 HydrophobicContact CG-CB 4.15Å; E2292-R2335 HydrophobicContact CG-CG 4.04Å; E2292-R2335 IonicContact OE1-CZ 3.92Å; E2292-R2335 IonicContact OE1-NE 3.32Å; E2292-R2335 PolarHBondContact OE1-NE 3.25Å; E2292-R2335 IonicContact OE1-NH2 3.46Å; E2292-R2335 PolarHBondContact OE1-NH2 2.99Å; T2320-R2335 CarbonylContact C-O 3.58Å; T2320-R2335 WeakPolarHBondContact CA-O 3.33Å; Q2321-R2335 HydrophobicContact CG-CB 4.09Å; Q2321-R2335 WeakPolarHBondContact CG-O 3.48Å; Q2321-R2335 PolarHBondContact N-O 2.04Å; Q2321-R2335 PolarHBondContact O-N 3.06Å; V2323-R2335 HydrophobicContact CG2-CB 3.75Å |
| 2336 | L | 88.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.3 | 166.7 | 173.4 | 59.6 | 0 | 0 | 0 | 109 | I2290 L2291 W2305 L2312 M2318 T2320 I2338 Y2349 | I2290-L2336 WeakPolarHBondContact CA-O 3.46Å; L2291-L2336 HydrophobicContact CB-CB 4.49Å; L2291-L2336 PolarHBondContact N-O 3.4Å; L2291-L2336 PolarHBondContact O-N 2.79Å; W2305-L2336 HydrophobicContact CB-CD2 4.24Å; W2305-L2336 HydrophobicContact CD2-CB 3.68Å; W2305-L2336 HydrophobicContact CD2-CD2 3.97Å; W2305-L2336 HydrophobicContact CD2-CG 4.47Å; W2305-L2336 HydrophobicContact CE3-CB 4.12Å; W2305-L2336 HydrophobicContact CE3-CD2 3.86Å; W2305-L2336 HydrophobicContact CG-CB 4.03Å; W2305-L2336 HydrophobicContact CG-CD2 4.17Å; W2305-L2336 HydrophobicContact CH2-CB 4.44Å; W2305-L2336 HydrophobicContact CZ2-CB 4.02Å; W2305-L2336 HydrophobicContact CZ3-CB 4.48Å; L2312-L2336 HydrophobicContact CD1-CD1 3.74Å; L2312-L2336 HydrophobicContact CD1-CD2 4.45Å; L2312-L2336 HydrophobicContact CD2-CD2 4.01Å; M2318-L2336 HydrophobicContact CB-CD1 4.28Å; T2320-L2336 HydrophobicContact CG2-CD1 4.01Å; L2336-I2338 HydrophobicContact CD1-CG1 4.39Å; L2336-I2338 HydrophobicContact CG-CG1 4.29Å; L2336-Y2349 HydrophobicContact CD2-CD1 3.95Å; L2336-Y2349 HydrophobicContact CD2-CE1 4.15Å |
| 2337 | T | 88.2 | Confident | 82.8 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.3 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | R2288 L2289 R2317 M2318 R2319 E2339 | R2288-T2337 HydrophobicContact CG-CG2 4.39Å; L2289-T2337 WeakPolarHBondContact O-CA 3.15Å; R2317-T2337 VanDerWaalsContact O-O 3.1Å; M2318-T2337 CarbonylContact C-O 3.53Å; M2318-T2337 WeakPolarHBondContact CA-O 3.49Å; R2319-T2337 PolarHBondContact N-O 3.27Å; R2319-T2337 PolarHBondContact O-N 2.94Å; T2337-E2339 HydrophobicContact CG2-CG 4.3Å; T2337-E2339 WeakPolarHBondContact CG2-OE1 3.44Å |
| 2338 | I | 89.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.5 | 172.7 | -48.8 | -176.6 | 0 | 0 | 0 | 108.1 | R2288 L2289 R2317 M2318 L2336 F2341 Y2349 | R2288-I2338 WeakPolarHBondContact CA-O 3.2Å; L2289-I2338 HydrophobicContact CB-CB 4.14Å; L2289-I2338 HydrophobicContact CB-CG1 4.48Å; L2289-I2338 HydrophobicContact CD2-CD1 4.04Å; L2289-I2338 PolarHBondContact N-O 3Å; L2289-I2338 PolarHBondContact O-N 2.71Å; R2317-I2338 WeakPolarHBondContact O-CA 3.22Å; M2318-I2338 HydrophobicContact CB-CG1 4.37Å; M2318-I2338 HydrophobicContact CE-CD1 4.23Å; M2318-I2338 HydrophobicContact CE-CG2 4.45Å; M2318-I2338 HydrophobicContact CG-CB 4.48Å; M2318-I2338 HydrophobicContact CG-CD1 4.15Å; M2318-I2338 HydrophobicContact CG-CG1 3.99Å; M2318-I2338 HydrophobicContact CG-CG2 3.99Å; M2318-I2338 HydrophobicContact SD-CD1 4.32Å; L2336-I2338 HydrophobicContact CD1-CG1 4.39Å; L2336-I2338 HydrophobicContact CG-CG1 4.29Å; I2338-F2341 HydrophobicContact CB-CD2 4.46Å; I2338-F2341 HydrophobicContact CG2-CD2 4.13Å; I2338-Y2349 HydrophobicContact CD1-CE1 3.7Å; I2338-Y2349 VanDerWaalsContact CD1-OH 3.28Å; I2338-Y2349 WeakPolarHBondContact CD1-OH 3.25Å |
| 2339 | E | 81.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 32.9 Ų | 32.9 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | trans | -84.4 | 143.2 | 175.4 | -57 | -64.2 | 170.4 | 0 | 0 | 110.9 | R2288 R2317 T2337 | R2288-E2339 WeakPolarHBondContact CD-OE2 3.19Å; R2288-E2339 WeakPolarHBondContact CG-OE2 3.37Å; R2288-E2339 IonicContact CZ-OE1 2.76Å; R2288-E2339 VanDerWaalsContact NE-CD 3.28Å; R2288-E2339 IonicContact NE-OE1 3.76Å; R2288-E2339 PolarHBondContact NE-OE1 3.28Å; R2288-E2339 IonicContact NE-OE2 2.65Å; R2288-E2339 PolarHBondContact NE-OE2 2.73Å; R2288-E2339 VanDerWaalsContact NE-OE2 3.15Å; R2288-E2339 IonicContact NH2-OE1 3.49Å; R2288-E2339 PolarHBondContact NH2-OE1 2.89Å; R2317-E2339 WeakPolarHBondContact CD-O 3.46Å; R2317-E2339 PolarHBondContact O-N 3.48Å; T2337-E2339 HydrophobicContact CG2-CG 4.3Å; T2337-E2339 WeakPolarHBondContact CG2-OE1 3.44Å | ||
| 2340 | N | 81.8 | Confident | 85 | Confident | 75 Ų | 75 | 30.4 Ų | 30.4 | 40% | 0.401 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 54 | 61.3 | 175.3 | -172.9 | -5.3 | 0 | 0 | 0 | 112.4 | G2287 R2317 R2342 | G2287-N2340 CarbonylContact O-C 3.54Å; G2287-N2340 WeakPolarHBondContact O-CA 3.07Å; G2287-N2340 PolarHBondContact O-N 2.76Å; R2317-N2340 PolarHBondContact NH1-O 3.35Å; N2340-R2342 PolarHBondContact ND2-NH2 3Å; N2340-R2342 WeakPolarHBondContact O-CG 3.11Å; N2340-R2342 PolarHBondContact O-NE 2.65Å; N2340-R2342 PolarHBondContact OD1-NE 2.85Å |
| 2341 | F | 84.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -63.6 | 142 | -177.9 | -165.7 | -84.7 | 0 | 0 | 0 | 112.7 | V2283 P2285 G2286 G2287 L2289 I2338 D2345 D2346 V2367 L2369 | V2283-F2341 HydrophobicContact CB-CB 4.36Å; V2283-F2341 HydrophobicContact CB-CD1 3.66Å; V2283-F2341 HydrophobicContact CB-CD2 4.2Å; V2283-F2341 HydrophobicContact CB-CE1 3.91Å; V2283-F2341 HydrophobicContact CB-CE2 4.42Å; V2283-F2341 HydrophobicContact CB-CG 3.82Å; V2283-F2341 HydrophobicContact CB-CZ 4.28Å; V2283-F2341 HydrophobicContact CG1-CB 3.58Å; V2283-F2341 HydrophobicContact CG1-CD1 3.85Å; V2283-F2341 HydrophobicContact CG1-CD2 4.09Å; V2283-F2341 HydrophobicContact CG1-CG 3.58Å; V2283-F2341 HydrophobicContact CG2-CD1 4.45Å; V2283-F2341 HydrophobicContact CG2-CD2 4.27Å; V2283-F2341 HydrophobicContact CG2-CE1 4.41Å; V2283-F2341 HydrophobicContact CG2-CE2 4.21Å; V2283-F2341 HydrophobicContact CG2-CG 4.39Å; V2283-F2341 HydrophobicContact CG2-CZ 4.29Å; P2285-F2341 CarbonylContact C-O 3.53Å; P2285-F2341 WeakPolarHBondContact CA-O 3.33Å; G2286-F2341 PolarHBondContact N-O 3.49Å; G2287-F2341 PolarHBondContact O-N 2.83Å; L2289-F2341 HydrophobicContact CB-CD2 4.14Å; L2289-F2341 HydrophobicContact CB-CE2 4.44Å; L2289-F2341 HydrophobicContact CD2-CE2 4.15Å; I2338-F2341 HydrophobicContact CB-CD2 4.46Å; I2338-F2341 HydrophobicContact CG2-CD2 4.13Å; F2341-D2345 WeakPolarHBondContact CA-OD2 3.31Å; F2341-D2345 HydrophobicContact CD1-CB 4.2Å; F2341-D2345 HydrophobicContact CD2-CB 3.73Å; F2341-D2345 HydrophobicContact CE1-CB 3.93Å; F2341-D2345 HydrophobicContact CE2-CB 3.44Å; F2341-D2345 VanDerWaalsContact CE2-CB 3.44Å; F2341-D2345 HydrophobicContact CG-CB 4.1Å; F2341-D2345 HydrophobicContact CZ-CB 3.54Å; F2341-D2345 WeakPolarHBondContact CZ-O 3.03Å; F2341-D2346 HydrophobicContact CE1-CB 4.4Å; F2341-D2346 HydrophobicContact CZ-CB 4.33Å; F2341-V2367 HydrophobicContact CE2-CG1 3.86Å; F2341-V2367 HydrophobicContact CZ-CG1 3.57Å; F2341-L2369 HydrophobicContact CD1-CD1 3.73Å; F2341-L2369 HydrophobicContact CE1-CD1 3.77Å | ||
| 2342 | R | 83.6 | Confident | 86.1 | Confident | 121 Ų | 121 | 26.2 Ų | 26.2 | 46% | 0.457 | 13% | 0.127 | S | C | . | . | trans | -141.9 | 168.2 | -169.4 | -66.4 | 168 | -166 | 176.3 | 4.4 | 112.3 | N2340 G2344 D2345 | N2340-R2342 PolarHBondContact ND2-NH2 3Å; N2340-R2342 WeakPolarHBondContact O-CG 3.11Å; N2340-R2342 PolarHBondContact O-NE 2.65Å; N2340-R2342 PolarHBondContact OD1-NE 2.85Å; R2342-G2344 PolarHBondContact O-N 3Å; R2342-D2345 PolarHBondContact N-OD2 3.38Å; R2342-D2345 WeakPolarHBondContact O-CB 3.42Å; R2342-D2345 PolarHBondContact O-N 3.02Å | ||
| 2343 | E | 77.1 | Confident | 86.2 | Confident | 108 Ų | 108 | 26.2 Ų | 26.2 | 51% | 0.505 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 122.7 | 165.7 | -171.4 | 174 | -174.4 | 0 | 0 | 109.4 | K2130 L2369 | K2130-E2343 IonicContact NZ-OE1 3.62Å; K2130-E2343 PolarHBondContact NZ-OE1 3.23Å; K2130-E2343 IonicContact NZ-OE2 2.86Å; K2130-E2343 PolarHBondContact NZ-OE2 3.3Å; E2343-L2369 HydrophobicContact CB-CD2 3.86Å; E2343-L2369 HydrophobicContact CG-CD2 4.35Å |
| 2344 | G | 80.7 | Confident | 85.8 | Confident | 34 Ų | 34 | 25.1 Ų | 25.1 | 35% | 0.351 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | -9.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R2342 D2346 | R2342-G2344 PolarHBondContact O-N 3Å; G2344-D2346 PolarHBondContact N-OD1 3.31Å |
| 2345 | D | 87.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -89 | -8.9 | 165.5 | -61.5 | -37.2 | 0 | 0 | 0 | 112.1 | R2317 M2318 F2341 R2342 Y2349 | R2317-D2345 IonicContact CZ-OD1 3.27Å; R2317-D2345 IonicContact CZ-OD2 3.47Å; R2317-D2345 IonicContact NH1-OD1 3.69Å; R2317-D2345 IonicContact NH1-OD2 3.55Å; R2317-D2345 PolarHBondContact NH1-OD2 2.85Å; R2317-D2345 IonicContact NH2-OD1 2.66Å; R2317-D2345 PolarHBondContact NH2-OD1 3.04Å; R2317-D2345 IonicContact NH2-OD2 2.68Å; R2317-D2345 PolarHBondContact NH2-OD2 3.4Å; M2318-D2345 HydrophobicContact CE-CB 4.38Å; M2318-D2345 WeakPolarHBondContact CE-OD1 3.31Å; F2341-D2345 WeakPolarHBondContact CA-OD2 3.31Å; F2341-D2345 HydrophobicContact CD1-CB 4.2Å; F2341-D2345 HydrophobicContact CD2-CB 3.73Å; F2341-D2345 HydrophobicContact CE1-CB 3.93Å; F2341-D2345 HydrophobicContact CE2-CB 3.44Å; F2341-D2345 VanDerWaalsContact CE2-CB 3.44Å; F2341-D2345 HydrophobicContact CG-CB 4.1Å; F2341-D2345 HydrophobicContact CZ-CB 3.54Å; F2341-D2345 WeakPolarHBondContact CZ-O 3.03Å; R2342-D2345 PolarHBondContact N-OD2 3.38Å; R2342-D2345 WeakPolarHBondContact O-CB 3.42Å; R2342-D2345 PolarHBondContact O-N 3.02Å; D2345-Y2349 VanDerWaalsContact O-CE2 3.29Å; D2345-Y2349 WeakPolarHBondContact O-CE2 3.43Å; D2345-Y2349 PolarHBondContact O-OH 2.95Å |
| 2346 | D | 88.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | trans | -85 | 137.8 | 179.8 | 51.3 | -53.5 | 0 | 0 | 0 | 112.6 | T2052 P2053 F2341 G2344 V2367 L2369 | T2052-D2346 WeakPolarHBondContact CA-OD2 3.42Å; T2052-D2346 WeakPolarHBondContact CB-OD2 3.48Å; T2052-D2346 PolarHBondContact OG1-OD2 2.03Å; P2053-D2346 WeakPolarHBondContact CA-OD2 2.9Å; P2053-D2346 WeakPolarHBondContact CB-O 3.04Å; F2341-D2346 HydrophobicContact CE1-CB 4.4Å; F2341-D2346 HydrophobicContact CZ-CB 4.33Å; G2344-D2346 PolarHBondContact N-OD1 3.31Å; D2346-V2367 CarbonylContact C-O 3.46Å; D2346-V2367 WeakPolarHBondContact CA-O 3.29Å; D2346-V2367 WeakPolarHBondContact CB-O 3.39Å; D2346-L2369 HydrophobicContact CB-CB 4.22Å | ||
| 2347 | G | 90.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -156 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V2367 | G2347-V2367 PolarHBondContact N-O 3.45Å; G2347-V2367 PolarHBondContact O-N 2.69Å |
| 2348 | I | 88.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.2 | 176 | -69.2 | 169.6 | 0 | 0 | 0 | 110.2 | L2056 I2058 F2307 N2308 D2364 F2366 | L2056-I2348 HydrophobicContact CD1-CD1 3.75Å; L2056-I2348 HydrophobicContact CD1-CG1 3.87Å; I2058-I2348 HydrophobicContact CG2-CD1 3.98Å; F2307-I2348 CarbonylContact C-O 3.54Å; F2307-I2348 WeakPolarHBondContact CA-O 3.36Å; F2307-I2348 WeakPolarHBondContact CD2-O 3.14Å; N2308-I2348 PolarHBondContact N-O 3.01Å; N2308-I2348 PolarHBondContact OD1-N 2.57Å; I2348-D2364 HydrophobicContact CG2-CB 3.69Å; I2348-F2366 HydrophobicContact CD1-CD1 4.4Å; I2348-F2366 HydrophobicContact CD1-CE1 3.69Å; I2348-F2366 HydrophobicContact CD1-CZ 4.07Å; I2348-F2366 HydrophobicContact CG1-CD1 3.78Å; I2348-F2366 HydrophobicContact CG1-CE1 3.58Å; I2348-F2366 HydrophobicContact CG1-CZ 4.18Å |
| 2349 | Y | 89.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.5 | 167.3 | -69.3 | -99.1 | 0 | 0 | 0 | 110.2 | L2291 R2306 F2307 L2312 L2336 I2338 D2345 I2365 V2367 | L2291-Y2349 HydrophobicContact CD1-CD1 4.31Å; L2291-Y2349 HydrophobicContact CD1-CG 3.98Å; R2306-Y2349 WeakPolarHBondContact O-CA 3.44Å; F2307-Y2349 HydrophobicContact CB-CD1 4.15Å; F2307-Y2349 HydrophobicContact CB-CE1 3.91Å; F2307-Y2349 HydrophobicContact CD2-CD1 4.08Å; F2307-Y2349 AromaticContact CD2-CD2 3.88Å; F2307-Y2349 HydrophobicContact CD2-CD2 3.88Å; F2307-Y2349 AromaticContact CD2-CE1 3.64Å; F2307-Y2349 HydrophobicContact CD2-CE1 3.64Å; F2307-Y2349 AromaticContact CD2-CE2 3.41Å; F2307-Y2349 HydrophobicContact CD2-CE2 3.41Å; F2307-Y2349 VanDerWaalsContact CD2-CE2 3.41Å; F2307-Y2349 HydrophobicContact CD2-CG 4.19Å; F2307-Y2349 AromaticContact CD2-CZ 3.28Å; F2307-Y2349 HydrophobicContact CE2-CD2 4.3Å; F2307-Y2349 HydrophobicContact CE2-CE1 4.45Å; F2307-Y2349 AromaticContact CE2-CE2 3.57Å; F2307-Y2349 HydrophobicContact CE2-CE2 3.57Å; F2307-Y2349 AromaticContact CE2-CZ 3.66Å; F2307-Y2349 HydrophobicContact CG-CE1 4.01Å; L2312-Y2349 HydrophobicContact CD2-CD1 4.48Å; L2312-Y2349 HydrophobicContact CD2-CE1 4.18Å; L2336-Y2349 HydrophobicContact CD2-CD1 3.95Å; L2336-Y2349 HydrophobicContact CD2-CE1 4.15Å; I2338-Y2349 HydrophobicContact CD1-CE1 3.7Å; I2338-Y2349 VanDerWaalsContact CD1-OH 3.28Å; I2338-Y2349 WeakPolarHBondContact CD1-OH 3.25Å; D2345-Y2349 VanDerWaalsContact O-CE2 3.29Å; D2345-Y2349 WeakPolarHBondContact O-CE2 3.43Å; D2345-Y2349 PolarHBondContact O-OH 2.95Å; Y2349-I2365 PolarHBondContact N-O 2.74Å; Y2349-I2365 WeakPolarHBondContact O-CA 3.41Å; Y2349-I2365 VanDerWaalsContact O-CB 3.29Å; Y2349-I2365 WeakPolarHBondContact O-CB 3.33Å; Y2349-I2365 PolarHBondContact O-N 2.77Å; Y2349-V2367 HydrophobicContact CD2-CB 4.02Å; Y2349-V2367 HydrophobicContact CD2-CG2 3.47Å; Y2349-V2367 VanDerWaalsContact CD2-CG2 3.47Å; Y2349-V2367 HydrophobicContact CE2-CB 3.99Å; Y2349-V2367 HydrophobicContact CE2-CG2 3.86Å; Y2349-V2367 HydrophobicContact CG-CG2 4.42Å |
| 2350 | N | 87.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 166.6 | 166.5 | 54.6 | 41.3 | 0 | 0 | 0 | 110.3 | R2306 W2309 M2361 S2362 D2364 | R2306-N2350 WeakPolarHBondContact CB-OD1 3.08Å; R2306-N2350 PolarHBondContact N-O 2.97Å; R2306-N2350 PolarHBondContact O-N 2.77Å; W2309-N2350 WeakPolarHBondContact CZ2-ND2 3.47Å; N2350-M2361 WeakPolarHBondContact OD1-CE 3.47Å; N2350-S2362 WeakPolarHBondContact CA-OG 3.47Å; N2350-S2362 WeakPolarHBondContact CB-OG 3.49Å; N2350-D2364 PolarHBondContact ND2-OD1 2.68Å |
| 2351 | C | 87.2 | Confident | 81.5 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154.4 | 175.3 | 59 | 0 | 0 | 0 | 0 | 111.6 | C2293 I2303 I2304 W2305 M2361 S2362 | C2293-C2351 HydrophobicContact CB-CB 3.61Å; C2293-C2351 WeakPolarHBondContact CB-SG 3.05Å; C2293-C2351 WeakPolarHBondContact SG-CB 3.02Å; C2293-C2351 CovalentContact SG-SG 2.03Å; C2293-C2351 PolarHBondContact SG-SG 2.94Å; I2303-C2351 HydrophobicContact CG2-CB 4.14Å; I2304-C2351 CarbonylContact O-C 3.39Å; I2304-C2351 WeakPolarHBondContact O-CA 3.39Å; I2304-C2351 WeakPolarHBondContact O-CB 3.31Å; W2305-C2351 HydrophobicContact CD2-CB 4.13Å; W2305-C2351 HydrophobicContact CE3-CB 4.11Å; W2305-C2351 HydrophobicContact CZ3-CB 4.31Å; C2351-M2361 WeakPolarHBondContact O-CA 3.37Å; C2351-S2362 PolarHBondContact N-OG 3.4Å; C2351-S2362 PolarHBondContact O-N 3.07Å; C2351-S2362 VanDerWaalsContact SG-CB 3.52Å |
| 2352 | E | 87.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.5 | -179.4 | -176.3 | 177.1 | -179.4 | 0 | 0 | 108.2 | I2303 I2304 R2306 L2354 R2359 A2360 M2361 | I2303-E2352 WeakPolarHBondContact CA-O 3.42Å; I2304-E2352 PolarHBondContact N-O 3.1Å; I2304-E2352 PolarHBondContact O-N 2.83Å; R2306-E2352 IonicContact CZ-OE2 2.74Å; R2306-E2352 IonicContact NE-OE2 2.72Å; R2306-E2352 PolarHBondContact NE-OE2 2.89Å; R2306-E2352 IonicContact NH2-OE1 3.88Å; R2306-E2352 IonicContact NH2-OE2 2.63Å; R2306-E2352 PolarHBondContact NH2-OE2 3.13Å; E2352-L2354 HydrophobicContact CG-CD2 3.89Å; E2352-R2359 IonicContact OE1-NH1 4Å; E2352-A2360 CarbonylContact C-O 3.57Å; E2352-A2360 WeakPolarHBondContact CA-O 3.47Å; E2352-M2361 HydrophobicContact CB-CG 4.43Å; E2352-M2361 HydrophobicContact CG-CG 4.26Å |
| 2353 | A | 86.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2270 I2272 A2295 P2301 M2302 I2303 R2359 A2360 | P2270-A2353 HydrophobicContact CB-CB 4.17Å; I2272-A2353 HydrophobicContact CD1-CB 3.48Å; I2272-A2353 VanDerWaalsContact CD1-CB 3.48Å; A2295-A2353 HydrophobicContact CB-CB 3.79Å; P2301-A2353 HydrophobicContact CB-CB 4.14Å; M2302-A2353 CarbonylContact O-C 3.23Å; M2302-A2353 VanDerWaalsContact O-CA 3.32Å; M2302-A2353 WeakPolarHBondContact O-CA 3.31Å; I2303-A2353 HydrophobicContact CG1-CB 4.49Å; A2353-R2359 CarbonylContact O-C 3.52Å; A2353-R2359 VanDerWaalsContact O-CA 3.32Å; A2353-R2359 WeakPolarHBondContact O-CA 3.43Å; A2353-A2360 PolarHBondContact N-O 3.26Å; A2353-A2360 PolarHBondContact O-N 3.09Å |
| 2354 | L | 78.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.8 | -175.4 | -56.4 | 179.9 | 0 | 0 | 0 | 111.2 | I2182 H2202 P2301 M2302 I2304 E2352 R2359 | I2182-L2354 HydrophobicContact CD1-CD1 4.33Å; I2182-L2354 HydrophobicContact CG2-CD1 4.14Å; H2202-L2354 HydrophobicContact CB-CB 4.35Å; H2202-L2354 HydrophobicContact CB-CD1 4.2Å; P2301-L2354 CarbonylContact C-O 3.57Å; P2301-L2354 WeakPolarHBondContact CA-O 3.34Å; P2301-L2354 WeakPolarHBondContact CB-O 3.17Å; M2302-L2354 PolarHBondContact N-O 2.89Å; M2302-L2354 PolarHBondContact O-N 3.41Å; I2304-L2354 HydrophobicContact CD1-CD1 3.51Å; I2304-L2354 HydrophobicContact CD1-CG 4.45Å; I2304-L2354 HydrophobicContact CG1-CD1 4.29Å; E2352-L2354 HydrophobicContact CG-CD2 3.89Å; L2354-R2359 HydrophobicContact CD2-CB 3.94Å; L2354-R2359 VanDerWaalsContact CD2-CD 3.45Å; L2354-R2359 HydrophobicContact CD2-CG 3.48Å; L2354-R2359 VanDerWaalsContact CD2-CG 3.48Å |
| 2355 | T | 74.5 | Confident | 81.9 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | trans | -110.6 | 178.3 | 157.4 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | P2270 P2299 P2301 K2357 E2358 | P2270-T2355 HydrophobicContact CB-CG2 4.11Å; P2270-T2355 HydrophobicContact CG-CG2 4.07Å; P2299-T2355 WeakPolarHBondContact O-CG2 3Å; P2301-T2355 HydrophobicContact CB-CG2 3.93Å; T2355-K2357 PolarHBondContact O-N 3.21Å; T2355-E2358 PolarHBondContact N-O 3.44Å; T2355-E2358 PolarHBondContact OG1-N 3.4Å; T2355-E2358 PolarHBondContact OG1-O 3.18Å | ||
| 2356 | S | 65.5 | Low | 81.8 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -54.4 | -22.5 | -176.2 | -32.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2357 | K | 61.8 | Low | 81.8 | Confident | 108 Ų | 108 | 29.3 Ų | 29.3 | 47% | 0.47 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -136 | -11.1 | -179.8 | -59.3 | -171.5 | -176.4 | -176.2 | 0 | 115 | D2253 T2355 | D2253-K2357 PolarHBondContact O-NZ 2.94Å; D2253-K2357 IonicContact OD2-NZ 3.42Å; D2253-K2357 PolarHBondContact OD2-NZ 3.39Å; T2355-K2357 PolarHBondContact O-N 3.21Å |
| 2358 | E | 73.2 | Confident | 81.6 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 23% | 0.229 | 14% | 0.143 | C | C | . | . | trans | -133.8 | 158 | -169.5 | -65.4 | 177.7 | 173.3 | 0 | 0 | 112.9 | K225 P2269 P2270 T2355 | K225-E2358 WeakPolarHBondContact CE-OE1 3.47Å; K225-E2358 IonicContact NZ-OE1 3.13Å; K225-E2358 PolarHBondContact NZ-OE1 2.66Å; P2269-E2358 WeakPolarHBondContact CA-OE2 3.38Å; P2269-E2358 WeakPolarHBondContact CB-OE2 3.38Å; P2270-E2358 HydrophobicContact CG-CB 3.88Å; T2355-E2358 PolarHBondContact N-O 3.44Å; T2355-E2358 PolarHBondContact OG1-N 3.4Å; T2355-E2358 PolarHBondContact OG1-O 3.18Å | ||
| 2359 | R | 76.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 29.9 Ų | 29.9 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.7 | -172.1 | -49.2 | -168.9 | 174.6 | -159 | -2.4 | 112.2 | E2200 E2352 A2353 L2354 | E2200-R2359 IonicContact OE1-NH2 3.17Å; E2200-R2359 IonicContact OE2-NH2 2.91Å; E2200-R2359 PolarHBondContact OE2-NH2 3.19Å; E2352-R2359 IonicContact OE1-NH1 4Å; A2353-R2359 CarbonylContact O-C 3.52Å; A2353-R2359 VanDerWaalsContact O-CA 3.32Å; A2353-R2359 WeakPolarHBondContact O-CA 3.43Å; L2354-R2359 HydrophobicContact CD2-CB 3.94Å; L2354-R2359 VanDerWaalsContact CD2-CD 3.45Å; L2354-R2359 HydrophobicContact CD2-CG 3.48Å; L2354-R2359 VanDerWaalsContact CD2-CG 3.48Å |
| 2360 | A | 80.5 | Confident | 80.6 | Confident | 23 Ų | 23 | 31 Ų | 31 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P2270 I2272 E2352 A2353 | P2270-A2360 HydrophobicContact CB-CB 4.34Å; P2270-A2360 WeakPolarHBondContact O-CB 3.19Å; I2272-A2360 HydrophobicContact CG1-CB 4.29Å; E2352-A2360 CarbonylContact C-O 3.57Å; E2352-A2360 WeakPolarHBondContact CA-O 3.47Å; A2353-A2360 PolarHBondContact N-O 3.26Å; A2353-A2360 PolarHBondContact O-N 3.09Å |
| 2361 | M | 82.2 | Confident | 79.3 | Confident | 74 Ų | 74 | 35.5 Ų | 35.5 | 37% | 0.365 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.4 | -179.9 | -66.8 | -163.8 | 75.7 | 0 | 0 | 113.1 | W2309 N2350 C2351 E2352 | W2309-M2361 HydrophobicContact CE3-CE 4.34Å; W2309-M2361 HydrophobicContact CH2-CE 3.55Å; W2309-M2361 HydrophobicContact CH2-SD 3.75Å; W2309-M2361 HydrophobicContact CZ2-CE 4.43Å; W2309-M2361 HydrophobicContact CZ3-CE 3.53Å; W2309-M2361 HydrophobicContact CZ3-SD 3.63Å; N2350-M2361 WeakPolarHBondContact OD1-CE 3.47Å; C2351-M2361 WeakPolarHBondContact O-CA 3.37Å; E2352-M2361 HydrophobicContact CB-CG 4.43Å; E2352-M2361 HydrophobicContact CG-CG 4.26Å |
| 2362 | S | 84.7 | Confident | 79 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 168.1 | 172.2 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | N2350 C2351 | N2350-S2362 WeakPolarHBondContact CA-OG 3.47Å; N2350-S2362 WeakPolarHBondContact CB-OG 3.49Å; C2351-S2362 PolarHBondContact N-OG 3.4Å; C2351-S2362 PolarHBondContact O-N 3.07Å; C2351-S2362 VanDerWaalsContact SG-CB 3.52Å |
| 2363 | Q | 80.2 | Confident | 78.5 | Confident | 103 Ų | 103 | 38.9 Ų | 38.9 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 156.5 | 161.5 | -59.4 | -176.2 | 10.9 | 0 | 0 | 111.1 | Q2274 | Q2274-Q2363 PolarHBondContact NE2-O 3.05Š|
| 2364 | D | 83 | Confident | 78.1 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 123 | 178.6 | -70.4 | -13 | 0 | 0 | 0 | 111.3 | R2062 I2348 N2350 F2366 | R2062-D2364 IonicContact CZ-OD2 2.71Å; R2062-D2364 IonicContact NH1-OD1 2.81Å; R2062-D2364 PolarHBondContact NH1-OD1 3.42Å; R2062-D2364 IonicContact NH1-OD2 3.17Å; R2062-D2364 PolarHBondContact NH1-OD2 2.87Å; I2348-D2364 HydrophobicContact CG2-CB 3.69Å; N2350-D2364 PolarHBondContact ND2-OD1 2.68Å; D2364-F2366 HydrophobicContact CB-CE2 4.16Å; D2364-F2366 HydrophobicContact CB-CZ 4.49Å |
| 2365 | I | 86.3 | Confident | 78.1 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 105.2 | 179.2 | -53.6 | 172.5 | 0 | 0 | 0 | 108 | L2291 W2305 Y2349 V2367 | L2291-I2365 HydrophobicContact CD1-CD1 4.37Å; L2291-I2365 HydrophobicContact CD1-CG2 4.41Å; L2291-I2365 HydrophobicContact CD2-CG2 4.12Å; W2305-I2365 HydrophobicContact CZ3-CD1 4.38Å; Y2349-I2365 PolarHBondContact N-O 2.74Å; Y2349-I2365 WeakPolarHBondContact O-CA 3.41Å; Y2349-I2365 VanDerWaalsContact O-CB 3.29Å; Y2349-I2365 WeakPolarHBondContact O-CB 3.33Å; Y2349-I2365 PolarHBondContact O-N 2.77Å; I2365-V2367 HydrophobicContact CG2-CG2 4.36Å |
| 2366 | F | 86.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.7 | 178.3 | -66.2 | -92.1 | 0 | 0 | 0 | 111 | F2064 T2280 H2281 I2348 D2364 F2368 | F2064-F2366 HydrophobicContact CB-CE1 4.15Å; T2280-F2366 CarbonylContact C-O 3.59Å; T2280-F2366 WeakPolarHBondContact CA-O 3.14Å; T2280-F2366 HydrophobicContact CG2-CB 4.36Å; H2281-F2366 PolarHBondContact N-O 2.81Å; I2348-F2366 HydrophobicContact CD1-CD1 4.4Å; I2348-F2366 HydrophobicContact CD1-CE1 3.69Å; I2348-F2366 HydrophobicContact CD1-CZ 4.07Å; I2348-F2366 HydrophobicContact CG1-CD1 3.78Å; I2348-F2366 HydrophobicContact CG1-CE1 3.58Å; I2348-F2366 HydrophobicContact CG1-CZ 4.18Å; D2364-F2366 HydrophobicContact CB-CE2 4.16Å; D2364-F2366 HydrophobicContact CB-CZ 4.49Å; F2366-F2368 HydrophobicContact CB-CE2 3.73Å; F2366-F2368 HydrophobicContact CB-CZ 4.25Å |
| 2367 | V | 88.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121 | 178.2 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | H2281 V2283 L2289 F2341 D2346 G2347 Y2349 I2365 | H2281-V2367 HydrophobicContact CB-CG1 4.39Å; H2281-V2367 HydrophobicContact CB-CG2 4.29Å; H2281-V2367 WeakPolarHBondContact O-CA 3.19Å; V2283-V2367 HydrophobicContact CG2-CG1 3.99Å; L2289-V2367 HydrophobicContact CD2-CG1 3.98Å; L2289-V2367 HydrophobicContact CD2-CG2 3.98Å; F2341-V2367 HydrophobicContact CE2-CG1 3.86Å; F2341-V2367 HydrophobicContact CZ-CG1 3.57Å; D2346-V2367 CarbonylContact C-O 3.46Å; D2346-V2367 WeakPolarHBondContact CA-O 3.29Å; D2346-V2367 WeakPolarHBondContact CB-O 3.39Å; G2347-V2367 PolarHBondContact N-O 3.45Å; G2347-V2367 PolarHBondContact O-N 2.69Å; Y2349-V2367 HydrophobicContact CD2-CB 4.02Å; Y2349-V2367 HydrophobicContact CD2-CG2 3.47Å; Y2349-V2367 VanDerWaalsContact CD2-CG2 3.47Å; Y2349-V2367 HydrophobicContact CE2-CB 3.99Å; Y2349-V2367 HydrophobicContact CE2-CG2 3.86Å; Y2349-V2367 HydrophobicContact CG-CG2 4.42Å; I2365-V2367 HydrophobicContact CG2-CG2 4.36Å |
| 2368 | F | 87.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.2 | -179.8 | -63.8 | -86.2 | 0 | 0 | 0 | 111.3 | T2052 R2065 E2067 T2280 H2281 R2282 V2283 F2366 S2370 | T2052-F2368 HydrophobicContact CG2-CB 4.28Å; T2052-F2368 HydrophobicContact CG2-CD1 4.04Å; T2052-F2368 WeakPolarHBondContact O-CD1 3.13Å; R2065-F2368 HydrophobicContact CB-CZ 4Å; R2065-F2368 HydrophobicContact CG-CE1 4.24Å; R2065-F2368 HydrophobicContact CG-CZ 3.71Å; E2067-F2368 HydrophobicContact CG-CD1 4.42Å; E2067-F2368 HydrophobicContact CG-CE1 4.27Å; T2280-F2368 HydrophobicContact CG2-CE2 3.95Å; H2281-F2368 PolarHBondContact O-N 3.42Å; R2282-F2368 WeakPolarHBondContact CA-O 3.37Å; V2283-F2368 PolarHBondContact N-O 3.36Å; V2283-F2368 VanDerWaalsContact N-O 3.09Å; F2366-F2368 HydrophobicContact CB-CE2 3.73Å; F2366-F2368 HydrophobicContact CB-CZ 4.25Å; F2368-S2370 PolarHBondContact O-N 3.48Å |
| 2369 | L | 82.7 | Confident | 80.9 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.2 | 168.7 | -166.7 | 72.8 | 0 | 0 | 0 | 109.1 | T2052 P2285 F2341 E2343 D2346 | T2052-L2369 PolarHBondContact OG1-N 2.66Å; P2285-L2369 HydrophobicContact CG-CD1 4.09Å; P2285-L2369 HydrophobicContact CG-CD2 4.45Å; P2285-L2369 HydrophobicContact CG-CG 4.38Å; F2341-L2369 HydrophobicContact CD1-CD1 3.73Å; F2341-L2369 HydrophobicContact CE1-CD1 3.77Å; E2343-L2369 HydrophobicContact CB-CD2 3.86Å; E2343-L2369 HydrophobicContact CG-CD2 4.35Å; D2346-L2369 HydrophobicContact CB-CB 4.22Å |
| 2370 | S | 73.1 | Confident | 81.3 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | trans | -78 | 136.5 | 167.4 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | V2283 P2285 F2368 | V2283-S2370 PolarHBondContact O-N 3.01Å; P2285-S2370 WeakPolarHBondContact CD-O 3.41Å; F2368-S2370 PolarHBondContact O-N 3.48Å | ||
| 2371 | P | 61.4 | Low | 81.4 | Confident | 96 Ų | 96 | 37.4 Ų | 37.4 | 62% | 0.623 | 20% | 0.201 | S | C | * | . | trans | -60.9 | 0 | 152.3 | 31.5 | -34.3 | 0 | 0 | 0 | 110.8 | V2069 | V2069-P2371 HydrophobicContact CB-CG 4.3Å; V2069-P2371 HydrophobicContact CG1-CG 4.05Å |
Retrieved 2,371 of 2,371 residues in 605.7 ms
(Link to these results)