| 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 | 31 | Very low | 50.9 | Low | 232 Ų | 232 | 130.9 Ų | 130.9 | 100% | 1.143 | 64% | 0.638 | S | S | * | * | 0 | 124 | 0 | -86.3 | 173.6 | 165.1 | 0 | 0 | 107.3 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.19Š| |||
| 2 | N | 30.5 | Very low | 53.2 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | trans | -67.1 | 120 | 176.8 | -164.5 | -7.5 | 0 | 0 | 0 | 108.1 | F4 | N2-F4 PolarHBondContact O-N 3.45Å; N2-F4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | P | 46.1 | Very low | 55.2 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -67.2 | -7.5 | -172 | 23 | -31.8 | 0 | 0 | 0 | 114.5 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.19Š|
| 4 | F | 38.3 | Very low | 56.5 | Low | 174 Ų | 174 | 111.3 Ų | 111.3 | 76% | 0.763 | 55% | 0.545 | S | S | * | . | trans | -116.2 | 83.8 | 179.7 | -59.8 | -78.9 | 0 | 0 | 0 | 110.6 | N2 | N2-F4 PolarHBondContact O-N 3.45Å; N2-F4 VanDerWaalsContact O-N 3.08Å | ||
| 5 | I | 44.8 | Very low | 57.2 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 45% | 0.451 | 54% | 0.542 | S | S | . | . | trans | -92.3 | 114.7 | 169.9 | -63.8 | 174.3 | 0 | 0 | 0 | 108 | C7 F61 | I5-C7 PolarHBondContact O-N 2.71Å; I5-F61 HydrophobicContact CD1-CE2 4.29Å; I5-F61 HydrophobicContact CD1-CZ 4.03Å | ||
| 6 | L | 45.1 | Very low | 57.4 | Low | 156 Ų | 156 | 111.4 Ų | 111.4 | 82% | 0.817 | 55% | 0.547 | S | S | * | . | trans | -59 | 104.4 | 173.6 | -102.5 | 131.9 | 0 | 0 | 0 | 110.4 | R8 | L6-R8 PolarHBondContact O-N 3.38Š| ||
| 7 | C | 51.1 | Low | 56.9 | Low | 52 Ų | 52 | 107.8 Ų | 107.8 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | trans | -80.9 | 102.6 | 170.1 | -66.6 | 0 | 0 | 0 | 0 | 108.4 | I5 K9 L10 | I5-C7 PolarHBondContact O-N 2.71Å; C7-K9 VanDerWaalsContact C-N 3.33Å; C7-K9 PolarHBondContact O-N 3.37Å; C7-L10 HydrophobicContact CB-CD2 3.8Å; C7-L10 HydrophobicContact CB-CG 4.41Å | ||
| 8 | R | 56.9 | Low | 56.5 | Low | 219 Ų | 219 | 108.4 Ų | 108.4 | 83% | 0.826 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -73.4 | -25.3 | -175.2 | -66.9 | -179.4 | 175.4 | -179.8 | -1.5 | 112.4 | L6 D57 | L6-R8 PolarHBondContact O-N 3.38Å; R8-D57 WeakPolarHBondContact CA-OD2 3.08Å; R8-D57 VanDerWaalsContact CB-OD2 3.28Å; R8-D57 WeakPolarHBondContact CB-OD2 3.5Å; R8-D57 PolarHBondContact N-OD2 2.84Å |
| 9 | K | 64.9 | Low | 56.3 | Low | 133 Ų | 133 | 105.7 Ų | 105.7 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | trans | -139.3 | 123.2 | 174.4 | -67.6 | -178.2 | -174.4 | 175.1 | 0 | 112.4 | C7 I56 D57 | C7-K9 VanDerWaalsContact C-N 3.33Å; C7-K9 PolarHBondContact O-N 3.37Å; K9-I56 HydrophobicContact CB-CB 3.99Å; K9-I56 HydrophobicContact CB-CD1 3.98Å; K9-I56 HydrophobicContact CB-CG1 4.17Å; K9-I56 PolarHBondContact O-N 2.85Å; K9-D57 PolarHBondContact N-OD2 2.97Å | ||
| 10 | L | 71.7 | Confident | 56.1 | Low | 70 Ų | 70 | 104.1 Ų | 104.1 | 37% | 0.366 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 146 | 173.5 | -62.9 | 172.8 | 0 | 0 | 0 | 110 | C7 F12 V53 K54 | C7-L10 HydrophobicContact CB-CD2 3.8Å; C7-L10 HydrophobicContact CB-CG 4.41Å; L10-F12 HydrophobicContact CB-CE2 4.01Å; L10-V53 HydrophobicContact CB-CG1 4.39Å; L10-V53 HydrophobicContact CD1-CG1 4.44Å; L10-V53 HydrophobicContact CD2-CG1 3.96Å; L10-V53 HydrophobicContact CG-CG1 4.5Å; L10-K54 CarbonylContact C-O 3.54Å; L10-K54 WeakPolarHBondContact CA-O 3.25Å |
| 11 | K | 78.9 | Confident | 56.1 | Low | 87 Ų | 87 | 100.9 Ų | 100.9 | 38% | 0.378 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.3 | 175.3 | -173.3 | 178.5 | 179.2 | -178.5 | 0 | 109.5 | R27 K54 I56 | K11-R27 CarbonylContact C-O 3.55Å; K11-R27 VanDerWaalsContact CA-O 3.27Å; K11-R27 WeakPolarHBondContact CA-O 3.32Å; K11-R27 HydrophobicContact CG-CB 4.49Å; K11-K54 PolarHBondContact N-O 2.79Å; K11-K54 PolarHBondContact O-N 2.89Å; K11-I56 HydrophobicContact CB-CD1 4.02Å; K11-I56 HydrophobicContact CB-CG1 3.78Å |
| 12 | F | 79.1 | Confident | 57.4 | Low | 42 Ų | 42 | 94.1 Ų | 94.1 | 18% | 0.184 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.4 | 178.2 | -60 | -106.2 | 0 | 0 | 0 | 109.6 | L10 L25 R27 G30 V51 T52 V53 | L10-F12 HydrophobicContact CB-CE2 4.01Å; F12-L25 HydrophobicContact CB-CD2 3.93Å; F12-L25 HydrophobicContact CB-CG 4.36Å; F12-R27 PolarHBondContact N-O 2.88Å; F12-R27 WeakPolarHBondContact O-CA 3.03Å; F12-R27 WeakPolarHBondContact O-CB 3.46Å; F12-R27 WeakPolarHBondContact O-CG 3.3Å; F12-G30 VanDerWaalsContact CD1-CA 3.48Å; F12-G30 VanDerWaalsContact CG-CA 3.41Å; F12-V51 HydrophobicContact CD1-CG1 4.31Å; F12-T52 CarbonylContact C-O 3.56Å; F12-T52 VanDerWaalsContact CA-O 3.31Å; F12-T52 WeakPolarHBondContact CA-O 3.32Å; F12-V53 HydrophobicContact CD1-CG2 3.18Å; F12-V53 HydrophobicContact CE1-CB 4.5Å; F12-V53 HydrophobicContact CE1-CG2 3.17Å; F12-V53 HydrophobicContact CG-CG2 3.96Å; F12-V53 HydrophobicContact CZ-CG2 3.95Å |
| 13 | T | 79.6 | Confident | 59 | Low | 27 Ų | 27 | 89.5 Ų | 89.5 | 17% | 0.166 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.7 | 178.1 | 41.9 | 0 | 0 | 0 | 0 | 110.5 | V51 T52 | T13-V51 CarbonylContact O-C 3.51Å; T13-V51 WeakPolarHBondContact O-CA 3.4Å; T13-T52 PolarHBondContact N-O 2.85Å; T13-T52 PolarHBondContact O-N 2.85Å; T13-T52 PolarHBondContact O-OG1 2.97Å; T13-T52 WeakPolarHBondContact OG1-CB 3.46Å; T13-T52 PolarHBondContact OG1-O 3.49Å; T13-T52 PolarHBondContact OG1-OG1 3.44Å |
| 14 | L | 72.7 | Confident | 60 | Low | 49 Ų | 49 | 91.6 Ų | 91.6 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.9 | -179.7 | -149.1 | 142.7 | 0 | 0 | 0 | 107.4 | N17 L25 L32 L49 N50 V51 | L14-N17 HydrophobicContact CD2-CB 4.17Å; L14-L25 HydrophobicContact CB-CD2 4.01Å; L14-L25 HydrophobicContact CD1-CB 4.18Å; L14-L25 HydrophobicContact CD1-CD2 4.19Å; L14-L32 HydrophobicContact CD1-CD1 3.8Å; L14-L49 HydrophobicContact CD1-CD2 4.33Å; L14-L49 HydrophobicContact CD2-CD2 3.95Å; L14-N50 WeakPolarHBondContact CA-O 3.5Å; L14-V51 HydrophobicContact CD1-CG2 4.46Å |
| 15 | E | 67.3 | Low | 61.5 | Low | 106 Ų | 106 | 84.1 Ų | 84.1 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -19.1 | -163.7 | -88.7 | -178.8 | -166 | 0 | 0 | 114.7 | N50 T52 K54 | E15-N50 PolarHBondContact N-O 2.89Å; E15-N50 VanDerWaalsContact N-O 3.11Å; E15-T52 VanDerWaalsContact CD-OG1 3.3Å; E15-T52 WeakPolarHBondContact CG-OG1 3.31Å; E15-T52 PolarHBondContact OE1-OG1 3.46Å; E15-K54 IonicContact OE1-NZ 2.86Å |
| 16 | N | 59.9 | Low | 62.8 | Low | 118 Ų | 118 | 82 Ų | 82 | 63% | 0.631 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 109.5 | 175.9 | -100.5 | -29.7 | 0 | 0 | 0 | 110.9 | ||
| 17 | N | 49.3 | Very low | 64.2 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | trans | -102.6 | 76.6 | 168.5 | -161.3 | -1.3 | 0 | 0 | 0 | 107.2 | L14 S19 G20 L21 | L14-N17 HydrophobicContact CD2-CB 4.17Å; N17-S19 PolarHBondContact O-N 2.85Å; N17-S19 PolarHBondContact OD1-OG 2.87Å; N17-G20 PolarHBondContact O-N 2.8Å; N17-L21 PolarHBondContact ND2-O 3.31Å | ||
| 18 | S | 49.8 | Very low | 65.2 | Low | 118 Ų | 118 | 83.2 Ų | 83.2 | 83% | 0.825 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -9.4 | -174.4 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 19 | S | 52.4 | Low | 65.9 | Low | 57 Ų | 57 | 76.4 Ų | 76.4 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 1.6 | -177.2 | 39 | 0 | 0 | 0 | 0 | 115.6 | N17 L21 | N17-S19 PolarHBondContact O-N 2.85Å; N17-S19 PolarHBondContact OD1-OG 2.87Å; S19-L21 WeakPolarHBondContact O-CG 3.46Å; S19-L21 PolarHBondContact O-N 2.84Å; S19-L21 VanDerWaalsContact O-N 3.16Å; S19-L21 WeakPolarHBondContact OG-CD1 3.4Å |
| 20 | G | 52.9 | Low | 66.1 | Low | 74 Ų | 74 | 71.2 Ų | 71.2 | 76% | 0.763 | 40% | 0.4 | S | S | * | . | trans | 62.4 | 22.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N17 | N17-G20 PolarHBondContact O-N 2.8Š| ||
| 21 | L | 54.8 | Low | 65.9 | Low | 36 Ų | 36 | 71.1 Ų | 71.1 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | trans | -88 | 139.1 | -171.1 | -63.3 | 169.2 | 0 | 0 | 0 | 111.2 | N17 S19 I23 L38 L47 | N17-L21 PolarHBondContact ND2-O 3.31Å; S19-L21 WeakPolarHBondContact O-CG 3.46Å; S19-L21 PolarHBondContact O-N 2.84Å; S19-L21 VanDerWaalsContact O-N 3.16Å; S19-L21 WeakPolarHBondContact OG-CD1 3.4Å; L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 HydrophobicContact CB-CD1 4.24Å; L21-I23 HydrophobicContact CB-CG1 4.22Å; L21-I23 PolarHBondContact O-N 3.35Å; L21-L38 HydrophobicContact CB-CD1 3.93Å; L21-L38 HydrophobicContact CB-CD2 4.08Å; L21-L38 HydrophobicContact CD1-CD2 4.05Å; L21-L38 HydrophobicContact CD2-CD1 3.73Å; L21-L38 HydrophobicContact CD2-CD2 4.48Å; L21-L38 HydrophobicContact CD2-CG 4.19Å; L21-L38 HydrophobicContact CG-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD2 4.4Å; L21-L47 HydrophobicContact CD1-CD1 4Å | ||
| 22 | P | 59.1 | Low | 65.2 | Low | 90 Ų | 90 | 69.7 Ų | 69.7 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | trans | -71.5 | 86.6 | 176 | 29.6 | -35.4 | 0 | 0 | 0 | 110.7 | L38 | P22-L38 HydrophobicContact CG-CD1 3.98Š| ||
| 23 | I | 64.7 | Low | 64.6 | Low | 26 Ų | 26 | 75.7 Ų | 75.7 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.3 | 173.9 | -61 | 174.1 | 0 | 0 | 0 | 107.1 | L21 L32 L38 L47 L49 | L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 HydrophobicContact CB-CD1 4.24Å; L21-I23 HydrophobicContact CB-CG1 4.22Å; L21-I23 PolarHBondContact O-N 3.35Å; I23-L32 HydrophobicContact CG2-CD1 4.48Å; I23-L32 HydrophobicContact CG2-CD2 3.37Å; I23-L32 HydrophobicContact CG2-CG 3.84Å; I23-L38 HydrophobicContact CD1-CD2 4.42Å; I23-L38 HydrophobicContact CG1-CD2 4.2Å; I23-L47 HydrophobicContact CD1-CD2 3.55Å; I23-L49 HydrophobicContact CD1-CD2 4.01Å |
| 24 | Y | 65.6 | Low | 63.9 | Low | 151 Ų | 151 | 76.8 Ų | 76.8 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.6 | 179.7 | -179.7 | -92.1 | 0 | 0 | 0 | 110.2 | D26 L32 R33 | Y24-D26 HydrophobicContact CE1-CB 4.26Å; Y24-L32 CarbonylContact O-C 3.5Å; Y24-R33 PolarHBondContact N-O 2.83Å; Y24-R33 PolarHBondContact O-N 3.32Å |
| 25 | L | 70.7 | Confident | 63.4 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.089 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.5 | 171.9 | 179.1 | 69.6 | 0 | 0 | 0 | 109 | F12 L14 R27 G30 L32 V51 | F12-L25 HydrophobicContact CB-CD2 3.93Å; F12-L25 HydrophobicContact CB-CG 4.36Å; L14-L25 HydrophobicContact CB-CD2 4.01Å; L14-L25 HydrophobicContact CD1-CB 4.18Å; L14-L25 HydrophobicContact CD1-CD2 4.19Å; L25-R27 PolarHBondContact O-N 2.92Å; L25-R27 VanDerWaalsContact O-N 3.12Å; L25-G30 VanDerWaalsContact CD1-O 3.3Å; L25-G30 WeakPolarHBondContact CD1-O 3.36Å; L25-L32 HydrophobicContact CD1-CB 4.23Å; L25-L32 HydrophobicContact CD1-CD1 4.13Å; L25-L32 HydrophobicContact CD1-CG 4.38Å; L25-V51 HydrophobicContact CD2-CG1 4.27Å |
| 26 | D | 72.6 | Confident | 63 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.23 | 44% | 0.443 | C | S | . | . | trans | -66.5 | 109.7 | 166.6 | 177 | -16 | 0 | 0 | 0 | 108.6 | Y24 S28 T29 G30 V31 | Y24-D26 HydrophobicContact CE1-CB 4.26Å; D26-S28 PolarHBondContact O-N 3.31Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 PolarHBondContact OD1-N 2.94Å; D26-S28 PolarHBondContact OD1-OG 2.88Å; D26-T29 VanDerWaalsContact CB-OG1 3.29Å; D26-T29 WeakPolarHBondContact CB-OG1 3.18Å; D26-T29 PolarHBondContact O-N 3.03Å; D26-T29 PolarHBondContact OD1-N 2.89Å; D26-T29 PolarHBondContact OD2-OG1 2.9Å; D26-G30 WeakPolarHBondContact O-CA 3.28Å; D26-G30 PolarHBondContact O-N 3.47Å; D26-V31 HydrophobicContact CB-CB 4.31Å; D26-V31 PolarHBondContact N-O 2.87Å | ||
| 27 | R | 74.6 | Confident | 63 | Low | 153 Ų | 153 | 77.7 Ų | 77.7 | 58% | 0.577 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.3 | -173.6 | -63.9 | -171.4 | 171.5 | 176.7 | -5.5 | 114.1 | K11 F12 L25 | K11-R27 CarbonylContact C-O 3.55Å; K11-R27 VanDerWaalsContact CA-O 3.27Å; K11-R27 WeakPolarHBondContact CA-O 3.32Å; K11-R27 HydrophobicContact CG-CB 4.49Å; F12-R27 PolarHBondContact N-O 2.88Å; F12-R27 WeakPolarHBondContact O-CA 3.03Å; F12-R27 WeakPolarHBondContact O-CB 3.46Å; F12-R27 WeakPolarHBondContact O-CG 3.3Å; L25-R27 PolarHBondContact O-N 2.92Å; L25-R27 VanDerWaalsContact O-N 3.12Å |
| 28 | S | 71.1 | Confident | 63.4 | Low | 81 Ų | 81 | 76 Ų | 76 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -28.7 | -177.8 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | D26 | D26-S28 PolarHBondContact O-N 3.31Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 PolarHBondContact OD1-N 2.94Å; D26-S28 PolarHBondContact OD1-OG 2.88Å |
| 29 | T | 72 | Confident | 63.5 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18 | -174.7 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | D26 V31 | D26-T29 VanDerWaalsContact CB-OG1 3.29Å; D26-T29 WeakPolarHBondContact CB-OG1 3.18Å; D26-T29 PolarHBondContact O-N 3.03Å; D26-T29 PolarHBondContact OD1-N 2.89Å; D26-T29 PolarHBondContact OD2-OG1 2.9Å; T29-V31 PolarHBondContact O-N 3.07Å; T29-V31 WeakPolarHBondContact OG1-CG2 3.41Å; T29-V31 PolarHBondContact OG1-N 3.3Å |
| 30 | G | 68.7 | Low | 63.9 | Low | 23 Ų | 23 | 78.4 Ų | 78.4 | 24% | 0.237 | 42% | 0.423 | C | S | . | . | trans | 77.5 | 6.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F12 L25 D26 L32 | F12-G30 VanDerWaalsContact CD1-CA 3.48Å; F12-G30 VanDerWaalsContact CG-CA 3.41Å; L25-G30 VanDerWaalsContact CD1-O 3.3Å; L25-G30 WeakPolarHBondContact CD1-O 3.36Å; D26-G30 WeakPolarHBondContact O-CA 3.28Å; D26-G30 PolarHBondContact O-N 3.47Å; G30-L32 PolarHBondContact O-N 2.83Å | ||
| 31 | V | 68.8 | Low | 64.2 | Low | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.418 | 43% | 0.425 | S | S | . | . | trans | -72.9 | 122.3 | -178.2 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | D26 T29 R33 | D26-V31 HydrophobicContact CB-CB 4.31Å; D26-V31 PolarHBondContact N-O 2.87Å; T29-V31 PolarHBondContact O-N 3.07Å; T29-V31 WeakPolarHBondContact OG1-CG2 3.41Å; T29-V31 PolarHBondContact OG1-N 3.3Å; V31-R33 HydrophobicContact CG1-CG 4.36Å | ||
| 32 | L | 64.1 | Low | 64.4 | Low | 57 Ų | 57 | 83.9 Ų | 83.9 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.7 | -176.3 | -154.4 | 140.6 | 0 | 0 | 0 | 110.2 | L14 I23 Y24 L25 G30 L49 I69 | L14-L32 HydrophobicContact CD1-CD1 3.8Å; I23-L32 HydrophobicContact CG2-CD1 4.48Å; I23-L32 HydrophobicContact CG2-CD2 3.37Å; I23-L32 HydrophobicContact CG2-CG 3.84Å; Y24-L32 CarbonylContact O-C 3.5Å; L25-L32 HydrophobicContact CD1-CB 4.23Å; L25-L32 HydrophobicContact CD1-CD1 4.13Å; L25-L32 HydrophobicContact CD1-CG 4.38Å; G30-L32 PolarHBondContact O-N 2.83Å; L32-L49 HydrophobicContact CD1-CD1 3.66Å; L32-L49 HydrophobicContact CD2-CD1 3.88Å; L32-L49 HydrophobicContact CG-CD1 4.44Å; L32-I69 HydrophobicContact CD2-CD1 4.33Å |
| 33 | R | 65.7 | Low | 64.5 | Low | 167 Ų | 167 | 84.6 Ų | 84.6 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | -177.9 | -63.9 | -175.4 | -179.1 | 176.4 | 1.3 | 110.6 | Y24 V31 | Y24-R33 PolarHBondContact N-O 2.83Å; Y24-R33 PolarHBondContact O-N 3.32Å; V31-R33 HydrophobicContact CG1-CG 4.36Å |
| 34 | A | 64.8 | Low | 64.3 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 150.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L38 | A34-L38 HydrophobicContact CB-CD2 4.37Å |
| 35 | S | 62.7 | Low | 63.9 | Low | 45 Ų | 45 | 89.5 Ų | 89.5 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | trans | -70.1 | 145.5 | 174.8 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | T37 L38 | S35-T37 PolarHBondContact O-N 2.83Å; S35-T37 PolarHBondContact OG-OG1 2.76Å; S35-L38 WeakPolarHBondContact O-CB 3.28Å; S35-L38 PolarHBondContact O-N 2.8Å; S35-L38 PolarHBondContact OG-N 2.86Å | ||
| 36 | Q | 58.3 | Low | 63.4 | Low | 142 Ų | 142 | 92.9 Ų | 92.9 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62 | -31.1 | 179.8 | -168.7 | 170.8 | 6 | 0 | 0 | 112.6 | L38 W39 Q40 | Q36-L38 PolarHBondContact O-N 2.8Å; Q36-W39 PolarHBondContact O-N 3.38Å; Q36-Q40 PolarHBondContact O-N 3.11Å |
| 37 | T | 59.9 | Low | 62.9 | Low | 105 Ų | 105 | 91.3 Ų | 91.3 | 64% | 0.644 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.5 | -27 | 172.7 | 33.8 | 0 | 0 | 0 | 0 | 113 | S35 | S35-T37 PolarHBondContact O-N 2.83Å; S35-T37 PolarHBondContact OG-OG1 2.76Å |
| 38 | L | 57.2 | Low | 62.2 | Low | 15 Ų | 15 | 88.8 Ų | 88.8 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 174.3 | -138.3 | 95.4 | 0 | 0 | 0 | 111.8 | L21 P22 I23 A34 S35 Q36 Q40 K41 Q42 | L21-L38 HydrophobicContact CB-CD1 3.93Å; L21-L38 HydrophobicContact CB-CD2 4.08Å; L21-L38 HydrophobicContact CD1-CD2 4.05Å; L21-L38 HydrophobicContact CD2-CD1 3.73Å; L21-L38 HydrophobicContact CD2-CD2 4.48Å; L21-L38 HydrophobicContact CD2-CG 4.19Å; L21-L38 HydrophobicContact CG-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD2 4.4Å; P22-L38 HydrophobicContact CG-CD1 3.98Å; I23-L38 HydrophobicContact CD1-CD2 4.42Å; I23-L38 HydrophobicContact CG1-CD2 4.2Å; A34-L38 HydrophobicContact CB-CD2 4.37Å; S35-L38 WeakPolarHBondContact O-CB 3.28Å; S35-L38 PolarHBondContact O-N 2.8Å; S35-L38 PolarHBondContact OG-N 2.86Å; Q36-L38 PolarHBondContact O-N 2.8Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.37Å; L38-K41 PolarHBondContact O-N 3.21Å; L38-Q42 WeakPolarHBondContact O-CB 3.31Å; L38-Q42 PolarHBondContact O-N 3.33Å; L38-Q42 VanDerWaalsContact O-N 3.16Å |
| 39 | W | 53.6 | Low | 62 | Low | 85 Ų | 85 | 85 Ų | 85 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 179.9 | 176.8 | 81.5 | 0 | 0 | 0 | 111.3 | Q36 K41 Q42 K43 W71 V76 | Q36-W39 PolarHBondContact O-N 3.38Å; W39-K41 VanDerWaalsContact C-N 3.25Å; W39-K41 PolarHBondContact O-N 2.78Å; W39-Q42 PolarHBondContact O-N 3.24Å; W39-K43 PolarHBondContact O-N 2.85Å; W39-W71 AromaticContact CD1-CD2 3.9Å; W39-W71 AromaticContact CD1-CE3 3.54Å; W39-W71 AromaticContact CD1-CZ3 3.8Å; W39-W71 AromaticContact NE1-CE3 3.93Å; W39-V76 HydrophobicContact CZ2-CG2 4.42Å |
| 40 | Q | 59.4 | Low | 62.1 | Low | 141 Ų | 141 | 84.7 Ų | 84.7 | 66% | 0.659 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.2 | -30.2 | 178.1 | -73.2 | -159.7 | -12 | 0 | 0 | 113.6 | Q36 L38 | Q36-Q40 PolarHBondContact O-N 3.11Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.37Å |
| 41 | K | 59.6 | Low | 62.3 | Low | 184 Ų | 184 | 84.4 Ų | 84.4 | 80% | 0.8 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -83.7 | -20.4 | 177.7 | -78 | -172.6 | 175.9 | -177.8 | 0 | 114.2 | L38 W39 | L38-K41 PolarHBondContact O-N 3.21Å; W39-K41 VanDerWaalsContact C-N 3.25Å; W39-K41 PolarHBondContact O-N 2.78Å |
| 42 | Q | 60.3 | Low | 62.7 | Low | 40 Ų | 40 | 81.2 Ų | 81.2 | 19% | 0.187 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -127.3 | 5.8 | -165.8 | -71.3 | -100.2 | -16.2 | 0 | 0 | 114 | L38 W39 D44 K45 | L38-Q42 WeakPolarHBondContact O-CB 3.31Å; L38-Q42 PolarHBondContact O-N 3.33Å; L38-Q42 VanDerWaalsContact O-N 3.16Å; W39-Q42 PolarHBondContact O-N 3.24Å; Q42-D44 PolarHBondContact O-N 2.72Å; Q42-K45 PolarHBondContact O-N 2.87Å |
| 43 | K | 60 | Low | 63.2 | Low | 105 Ų | 105 | 80.3 Ų | 80.3 | 46% | 0.457 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -26.2 | 179.3 | 65.2 | 169.3 | -169.1 | 176.4 | 0 | 114 | W39 | W39-K43 PolarHBondContact O-N 2.85Š|
| 44 | D | 60.4 | Low | 63.8 | Low | 143 Ų | 143 | 75.9 Ų | 75.9 | 77% | 0.765 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.5 | -178.9 | -52.9 | -42.3 | 0 | 0 | 0 | 113.6 | Q42 | Q42-D44 PolarHBondContact O-N 2.72Š|
| 45 | K | 57.5 | Low | 63.9 | Low | 137 Ų | 137 | 73.6 Ų | 73.6 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -126 | 134.7 | -178 | -69.1 | -172.8 | 178.9 | -175.8 | 0 | 112.2 | Q42 | Q42-K45 PolarHBondContact O-N 2.87Š|
| 46 | T | 60.4 | Low | 64.1 | Low | 88 Ų | 88 | 75.8 Ų | 75.8 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | trans | -74.4 | 126.9 | 174 | -46.4 | 0 | 0 | 0 | 0 | 110 | I68 | T46-I68 HydrophobicContact CG2-CG2 3.3Š| ||
| 47 | L | 61.1 | Low | 64.8 | Low | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.8 | 179.1 | -147.3 | 103 | 0 | 0 | 0 | 110 | L21 I23 L49 I69 | L21-L47 HydrophobicContact CD1-CD1 4Å; I23-L47 HydrophobicContact CD1-CD2 3.55Å; L47-L49 HydrophobicContact CD2-CD1 3.76Å; L47-L49 HydrophobicContact CD2-CD2 3.81Å; L47-L49 HydrophobicContact CD2-CG 3.76Å; L47-I69 HydrophobicContact CB-CB 4.27Å; L47-I69 PolarHBondContact N-O 2.8Å; L47-I69 PolarHBondContact O-N 3.07Å |
| 48 | L | 60.9 | Low | 65 | Low | 99 Ų | 99 | 71.4 Ų | 71.4 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.6 | 178.8 | -68.9 | 167.3 | 0 | 0 | 0 | 109.4 | L66 I68 | L48-L66 HydrophobicContact CB-CD1 4.35Å; L48-L66 HydrophobicContact CD2-CD1 4.34Å; L48-L66 HydrophobicContact CD2-CD2 4.15Å; L48-L66 HydrophobicContact CD2-CG 4.26Å; L48-I68 HydrophobicContact CD2-CB 4.18Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.63Å; L48-I68 HydrophobicContact CD2-CG2 4.02Å |
| 49 | L | 67.5 | Low | 65 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.8 | -177.7 | -63 | 164.4 | 0 | 0 | 0 | 110 | L14 I23 L32 L47 V67 I69 | L14-L49 HydrophobicContact CD1-CD2 4.33Å; L14-L49 HydrophobicContact CD2-CD2 3.95Å; I23-L49 HydrophobicContact CD1-CD2 4.01Å; L32-L49 HydrophobicContact CD1-CD1 3.66Å; L32-L49 HydrophobicContact CD2-CD1 3.88Å; L32-L49 HydrophobicContact CG-CD1 4.44Å; L47-L49 HydrophobicContact CD2-CD1 3.76Å; L47-L49 HydrophobicContact CD2-CD2 3.81Å; L47-L49 HydrophobicContact CD2-CG 3.76Å; L49-V67 HydrophobicContact CB-CB 4.4Å; L49-V67 PolarHBondContact N-O 2.85Å; L49-V67 PolarHBondContact O-N 2.87Å; L49-I69 HydrophobicContact CD1-CD1 3.71Å |
| 50 | N | 72.6 | Confident | 65.5 | Low | 71 Ų | 71 | 83.1 Ų | 83.1 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.5 | 168.7 | -90.8 | 1.4 | 0 | 0 | 0 | 110 | L14 E15 L66 | L14-N50 WeakPolarHBondContact CA-O 3.5Å; E15-N50 PolarHBondContact N-O 2.89Å; E15-N50 VanDerWaalsContact N-O 3.11Å; N50-L66 WeakPolarHBondContact OD1-CD1 3.47Å |
| 51 | V | 73.8 | Confident | 65.3 | Low | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.3 | 177 | -175.6 | 0 | 0 | 0 | 0 | 109 | F12 T13 L14 L25 A65 V67 | F12-V51 HydrophobicContact CD1-CG1 4.31Å; T13-V51 CarbonylContact O-C 3.51Å; T13-V51 WeakPolarHBondContact O-CA 3.4Å; L14-V51 HydrophobicContact CD1-CG2 4.46Å; L25-V51 HydrophobicContact CD2-CG1 4.27Å; V51-A65 PolarHBondContact N-O 3.35Å; V51-A65 PolarHBondContact O-N 2.92Å; V51-V67 HydrophobicContact CB-CG2 4.33Å; V51-V67 HydrophobicContact CG2-CG2 3.87Å |
| 52 | T | 77.3 | Confident | 65.5 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.8 | 170.7 | 13.6 | 0 | 0 | 0 | 0 | 110.5 | F12 T13 E15 M62 D63 S64 | F12-T52 CarbonylContact C-O 3.56Å; F12-T52 VanDerWaalsContact CA-O 3.31Å; F12-T52 WeakPolarHBondContact CA-O 3.32Å; T13-T52 PolarHBondContact N-O 2.85Å; T13-T52 PolarHBondContact O-N 2.85Å; T13-T52 PolarHBondContact O-OG1 2.97Å; T13-T52 WeakPolarHBondContact OG1-CB 3.46Å; T13-T52 PolarHBondContact OG1-O 3.49Å; T13-T52 PolarHBondContact OG1-OG1 3.44Å; E15-T52 VanDerWaalsContact CD-OG1 3.3Å; E15-T52 WeakPolarHBondContact CG-OG1 3.31Å; E15-T52 PolarHBondContact OE1-OG1 3.46Å; T52-M62 HydrophobicContact CG2-CG 3.99Å; T52-M62 HydrophobicContact CG2-SD 3.68Å; T52-D63 CarbonylContact C-O 3.57Å; T52-D63 WeakPolarHBondContact CA-O 3.5Å; T52-S64 WeakPolarHBondContact CG2-OG 3.28Å |
| 53 | V | 75 | Confident | 65.8 | Low | 37 Ų | 37 | 80.6 Ų | 80.6 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.6 | 171.3 | 167.4 | 0 | 0 | 0 | 0 | 108.6 | L10 F12 M62 D63 | L10-V53 HydrophobicContact CB-CG1 4.39Å; L10-V53 HydrophobicContact CD1-CG1 4.44Å; L10-V53 HydrophobicContact CD2-CG1 3.96Å; L10-V53 HydrophobicContact CG-CG1 4.5Å; F12-V53 HydrophobicContact CD1-CG2 3.18Å; F12-V53 HydrophobicContact CE1-CB 4.5Å; F12-V53 HydrophobicContact CE1-CG2 3.17Å; F12-V53 HydrophobicContact CG-CG2 3.96Å; F12-V53 HydrophobicContact CZ-CG2 3.95Å; V53-M62 CarbonylContact O-C 3.47Å; V53-M62 VanDerWaalsContact O-CA 3.23Å; V53-M62 WeakPolarHBondContact O-CA 3.39Å; V53-D63 PolarHBondContact N-O 3.28Å; V53-D63 PolarHBondContact O-N 3.26Å |
| 54 | K | 76.9 | Confident | 66.2 | Low | 74 Ų | 74 | 79 Ų | 79 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.4 | 177.5 | -70.8 | 173.1 | 176.8 | 165.6 | 0 | 109.9 | L10 K11 E15 I56 M62 | L10-K54 CarbonylContact C-O 3.54Å; L10-K54 WeakPolarHBondContact CA-O 3.25Å; K11-K54 PolarHBondContact N-O 2.79Å; K11-K54 PolarHBondContact O-N 2.89Å; E15-K54 IonicContact OE1-NZ 2.86Å; K54-I56 PolarHBondContact O-N 2.87Å; K54-M62 HydrophobicContact CD-CG 4.45Å; K54-M62 HydrophobicContact CD-SD 4.08Å; K54-M62 WeakPolarHBondContact CE-SD 3.28Å; K54-M62 HydrophobicContact CG-CB 3.94Å; K54-M62 HydrophobicContact CG-CG 3.61Å; K54-M62 HydrophobicContact CG-SD 3.88Å |
| 55 | S | 68.5 | Low | 66.3 | Low | 4 Ų | 4 | 74.7 Ų | 74.7 | 3% | 0.028 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 119.9 | 165.7 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | D57 N58 F61 | S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact O-N 2.86Å; S55-N58 CarbonylContact O-C 3.56Å; S55-N58 VanDerWaalsContact O-C 3.32Å; S55-N58 PolarHBondContact O-N 2.86Å; S55-F61 PolarHBondContact N-O 2.88Å |
| 56 | I | 66.8 | Low | 66.5 | Low | 91 Ų | 91 | 73 Ų | 73 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -65.7 | -37.2 | 177.9 | -58.4 | -175.5 | 0 | 0 | 0 | 109.9 | K9 K11 K54 N58 | K9-I56 HydrophobicContact CB-CB 3.99Å; K9-I56 HydrophobicContact CB-CD1 3.98Å; K9-I56 HydrophobicContact CB-CG1 4.17Å; K9-I56 PolarHBondContact O-N 2.85Å; K11-I56 HydrophobicContact CB-CD1 4.02Å; K11-I56 HydrophobicContact CB-CG1 3.78Å; K54-I56 PolarHBondContact O-N 2.87Å; I56-N58 PolarHBondContact O-N 2.8Å |
| 57 | D | 71.3 | Confident | 66.5 | Low | 88 Ų | 88 | 71.4 Ų | 71.4 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -75.1 | -16.2 | -178.2 | -52.3 | -45.4 | 0 | 0 | 0 | 112 | R8 K9 S55 | R8-D57 WeakPolarHBondContact CA-OD2 3.08Å; R8-D57 VanDerWaalsContact CB-OD2 3.28Å; R8-D57 WeakPolarHBondContact CB-OD2 3.5Å; R8-D57 PolarHBondContact N-OD2 2.84Å; K9-D57 PolarHBondContact N-OD2 2.97Å; S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact O-N 2.86Å |
| 58 | N | 65.8 | Low | 66.2 | Low | 66 Ų | 66 | 75.9 Ų | 75.9 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | trans | -150.8 | 81.4 | -171.8 | -132.6 | -18.1 | 0 | 0 | 0 | 110.7 | S55 I56 K60 F61 | S55-N58 CarbonylContact O-C 3.56Å; S55-N58 VanDerWaalsContact O-C 3.32Å; S55-N58 PolarHBondContact O-N 2.86Å; I56-N58 PolarHBondContact O-N 2.8Å; N58-K60 PolarHBondContact O-N 3.08Å; N58-F61 HydrophobicContact CB-CD2 3.88Å; N58-F61 PolarHBondContact O-N 2.78Å | ||
| 59 | I | 56.9 | Low | 66.1 | Low | 148 Ų | 148 | 73.3 Ų | 73.3 | 76% | 0.759 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.9 | -170.3 | -49.3 | 171 | 0 | 0 | 0 | 112.9 | F61 | I59-F61 VanDerWaalsContact C-N 3.29Å; I59-F61 PolarHBondContact O-N 2.89Å |
| 60 | K | 64.3 | Low | 65.6 | Low | 199 Ų | 199 | 77.2 Ų | 77.2 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.4 | 174.6 | -70.5 | -172.3 | 177.2 | -176.5 | 0 | 114.2 | N58 | N58-K60 PolarHBondContact O-N 3.08Š|
| 61 | F | 55.3 | Low | 64.6 | Low | 102 Ų | 102 | 78.4 Ų | 78.4 | 45% | 0.447 | 41% | 0.412 | S | S | . | . | trans | -97.7 | 95.9 | 177.6 | -71.7 | -84.3 | 0 | 0 | 0 | 109.6 | I5 S55 N58 I59 | I5-F61 HydrophobicContact CD1-CE2 4.29Å; I5-F61 HydrophobicContact CD1-CZ 4.03Å; S55-F61 PolarHBondContact N-O 2.88Å; N58-F61 HydrophobicContact CB-CD2 3.88Å; N58-F61 PolarHBondContact O-N 2.78Å; I59-F61 VanDerWaalsContact C-N 3.29Å; I59-F61 PolarHBondContact O-N 2.89Å | ||
| 62 | M | 62.2 | Low | 63.2 | Low | 97 Ų | 97 | 85.4 Ų | 85.4 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.9 | 172.3 | 177.7 | -178.6 | 72.1 | 0 | 0 | 108.8 | T52 V53 K54 | T52-M62 HydrophobicContact CG2-CG 3.99Å; T52-M62 HydrophobicContact CG2-SD 3.68Å; V53-M62 CarbonylContact O-C 3.47Å; V53-M62 VanDerWaalsContact O-CA 3.23Å; V53-M62 WeakPolarHBondContact O-CA 3.39Å; K54-M62 HydrophobicContact CD-CG 4.45Å; K54-M62 HydrophobicContact CD-SD 4.08Å; K54-M62 WeakPolarHBondContact CE-SD 3.28Å; K54-M62 HydrophobicContact CG-CB 3.94Å; K54-M62 HydrophobicContact CG-CG 3.61Å; K54-M62 HydrophobicContact CG-SD 3.88Å |
| 63 | D | 67.5 | Low | 61.5 | Low | 112 Ų | 112 | 91.7 Ų | 91.7 | 60% | 0.599 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.1 | 169 | -160.3 | 0.8 | 0 | 0 | 0 | 109.7 | T52 V53 | T52-D63 CarbonylContact C-O 3.57Å; T52-D63 WeakPolarHBondContact CA-O 3.5Å; V53-D63 PolarHBondContact N-O 3.28Å; V53-D63 PolarHBondContact O-N 3.26Å |
| 64 | S | 68.5 | Low | 59.7 | Low | 71 Ų | 71 | 97.4 Ų | 97.4 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 124.4 | -174.8 | -37.3 | 0 | 0 | 0 | 0 | 109.3 | T52 | T52-S64 WeakPolarHBondContact CG2-OG 3.28Å |
| 65 | A | 62.3 | Low | 57.9 | Low | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V51 | V51-A65 PolarHBondContact N-O 3.35Å; V51-A65 PolarHBondContact O-N 2.92Å |
| 66 | L | 62.3 | Low | 56.2 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 109.5 | 167 | -177.2 | 75.9 | 0 | 0 | 0 | 108.1 | L48 N50 | L48-L66 HydrophobicContact CB-CD1 4.35Å; L48-L66 HydrophobicContact CD2-CD1 4.34Å; L48-L66 HydrophobicContact CD2-CD2 4.15Å; L48-L66 HydrophobicContact CD2-CG 4.26Å; N50-L66 WeakPolarHBondContact OD1-CD1 3.47Å |
| 67 | V | 59.7 | Low | 54.5 | Low | 56 Ų | 56 | 109.5 Ų | 109.5 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.6 | 177.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | L49 V51 I69 | L49-V67 HydrophobicContact CB-CB 4.4Å; L49-V67 PolarHBondContact N-O 2.85Å; L49-V67 PolarHBondContact O-N 2.87Å; V51-V67 HydrophobicContact CB-CG2 4.33Å; V51-V67 HydrophobicContact CG2-CG2 3.87Å; V67-I69 HydrophobicContact CG1-CD1 4.49Å; V67-I69 HydrophobicContact CG1-CG1 4Å |
| 68 | I | 54.9 | Low | 52.9 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.2 | 177.9 | -46.5 | -169.5 | 0 | 0 | 0 | 108.6 | T46 L48 | T46-I68 HydrophobicContact CG2-CG2 3.3Å; L48-I68 HydrophobicContact CD2-CB 4.18Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.63Å; L48-I68 HydrophobicContact CD2-CG2 4.02Å |
| 69 | I | 58.3 | Low | 51.1 | Low | 44 Ų | 44 | 116 Ų | 116 | 23% | 0.226 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.4 | 178.6 | -54.6 | 180 | 0 | 0 | 0 | 108.8 | L32 L47 L49 V67 W71 | L32-I69 HydrophobicContact CD2-CD1 4.33Å; L47-I69 HydrophobicContact CB-CB 4.27Å; L47-I69 PolarHBondContact N-O 2.8Å; L47-I69 PolarHBondContact O-N 3.07Å; L49-I69 HydrophobicContact CD1-CD1 3.71Å; V67-I69 HydrophobicContact CG1-CD1 4.49Å; V67-I69 HydrophobicContact CG1-CG1 4Å; I69-W71 HydrophobicContact CG2-CD2 4.45Å; I69-W71 HydrophobicContact CG2-CH2 4.5Å; I69-W71 HydrophobicContact CG2-CZ2 4.17Å |
| 70 | S | 56.8 | Low | 49.9 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 58% | 0.58 | 59% | 0.591 | S | S | * | * | trans | -112.6 | 131.3 | 169.7 | 61 | 0 | 0 | 0 | 0 | 109.7 | K72 | S70-K72 PolarHBondContact O-N 2.81Š| ||
| 71 | W | 53.1 | Low | 48.2 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 37% | 0.367 | 59% | 0.587 | S | S | . | * | trans | -88.4 | 107.8 | -173.2 | -54.8 | 95.7 | 0 | 0 | 0 | 110 | W39 I69 | W39-W71 AromaticContact CD1-CD2 3.9Å; W39-W71 AromaticContact CD1-CE3 3.54Å; W39-W71 AromaticContact CD1-CZ3 3.8Å; W39-W71 AromaticContact NE1-CE3 3.93Å; I69-W71 HydrophobicContact CG2-CD2 4.45Å; I69-W71 HydrophobicContact CG2-CH2 4.5Å; I69-W71 HydrophobicContact CG2-CZ2 4.17Å | ||
| 72 | K | 43.7 | Very low | 47 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | trans | -98.4 | 136.1 | 166 | -80.2 | -175.2 | 176.2 | -179.3 | 0 | 109.8 | S70 E74 | S70-K72 PolarHBondContact O-N 2.81Å; K72-E74 PolarHBondContact O-N 2.81Å | ||
| 73 | N | 41.3 | Very low | 45.2 | Very low | 133 Ų | 133 | 121 Ų | 121 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -61 | -7.3 | -173.6 | -82 | -20.8 | 0 | 0 | 0 | 115.6 | Y75 | N73-Y75 VanDerWaalsContact C-N 3.33Å; N73-Y75 PolarHBondContact O-N 2.86Å |
| 74 | E | 38.4 | Very low | 43.3 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -73.7 | -13.1 | -168.7 | -72.3 | 179 | 154.4 | 0 | 0 | 115.5 | K72 | K72-E74 PolarHBondContact O-N 2.81Š|
| 75 | Y | 38.1 | Very low | 41.3 | Very low | 212 Ų | 212 | 124.6 Ų | 124.6 | 83% | 0.831 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -104 | 8.9 | -172.8 | -72.5 | -82.2 | 0 | 0 | 0 | 115.8 | N73 N77 | N73-Y75 VanDerWaalsContact C-N 3.33Å; N73-Y75 PolarHBondContact O-N 2.86Å; Y75-N77 PolarHBondContact O-N 2.86Å |
| 76 | V | 32 | Very low | 39.6 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 51% | 0.509 | 66% | 0.656 | S | S | . | * | trans | -91.8 | 72.6 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | W39 E78 | W39-V76 HydrophobicContact CZ2-CG2 4.42Å; V76-E78 HydrophobicContact CG1-CG 4.18Å | ||
| 77 | N | 32.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 67% | 0.671 | S | S | * | * | trans | -105.5 | 96.4 | 161 | -102 | -40 | 0 | 0 | 0 | 107.9 | Y75 N79 | Y75-N77 PolarHBondContact O-N 2.86Å; N77-N79 PolarHBondContact O-N 2.85Å | ||
| 78 | E | 36.4 | Very low | 36.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 67% | 0.673 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 12.6 | -174.2 | -81.5 | -172.5 | 149 | 0 | 0 | 116.3 | V76 | V76-E78 HydrophobicContact CG1-CG 4.18Š|
| 79 | N | 29.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 10.4 | -170.1 | -83.2 | -11.7 | 0 | 0 | 0 | 117.2 | N77 N81 | N77-N79 PolarHBondContact O-N 2.85Å; N79-N81 VanDerWaalsContact C-N 3.32Å; N79-N81 PolarHBondContact O-N 2.9Å |
| 80 | N | 30.6 | Very low | 33.9 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -94 | 39.2 | 175 | -79.7 | -5 | 0 | 0 | 0 | 113.9 | N82 | N80-N82 PolarHBondContact O-N 3.11Š| ||
| 81 | N | 29.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 158 Ų | 158 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -83 | 21.9 | 172.9 | -101.1 | -17.2 | 0 | 0 | 0 | 114.2 | N79 K83 | N79-N81 VanDerWaalsContact C-N 3.32Å; N79-N81 PolarHBondContact O-N 2.9Å; N81-K83 VanDerWaalsContact C-N 3.3Å; N81-K83 PolarHBondContact O-N 2.91Å | ||
| 82 | N | 28.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 159.9 Ų | 159.9 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -81.6 | 84.3 | 167.7 | -79.6 | -8.5 | 0 | 0 | 0 | 109.3 | N80 T84 | N80-N82 PolarHBondContact O-N 3.11Å; N82-T84 PolarHBondContact O-N 3.26Å | ||
| 83 | K | 26.2 | Very low | 30.5 | Very low | 195 Ų | 195 | 157.3 Ų | 157.3 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -52.5 | 88.9 | 156.6 | -79.3 | 177.7 | 175.6 | 173.6 | 0 | 108.6 | N81 N85 | N81-K83 VanDerWaalsContact C-N 3.3Å; N81-K83 PolarHBondContact O-N 2.91Å; K83-N85 PolarHBondContact O-N 2.91Å; K83-N85 VanDerWaalsContact O-N 3.12Å | ||
| 84 | T | 26.9 | Very low | 30 | Very low | 103 Ų | 103 | 160.2 Ų | 160.2 | 63% | 0.632 | 78% | 0.781 | S | S | * | * | trans | -70.3 | 105 | 162.8 | 37.7 | 0 | 0 | 0 | 0 | 106.9 | N82 Y86 | N82-T84 PolarHBondContact O-N 3.26Å; T84-Y86 PolarHBondContact O-N 2.85Å | ||
| 85 | N | 25.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 159 Ų | 159 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 85.4 | 164 | -90.1 | -22.1 | 0 | 0 | 0 | 108.4 | K83 N87 | K83-N85 PolarHBondContact O-N 2.91Å; K83-N85 VanDerWaalsContact O-N 3.12Å; N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 2.77Å | ||
| 86 | Y | 26.4 | Very low | 29 | Very low | 207 Ų | 207 | 157 Ų | 157 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 94.9 | 168 | -95.8 | -88.3 | 0 | 0 | 0 | 107.6 | T84 K88 | T84-Y86 PolarHBondContact O-N 2.85Å; Y86-K88 PolarHBondContact O-N 2.82Å | ||
| 87 | N | 28.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 161.2 Ų | 161.2 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -54.7 | 103.4 | 167.3 | -100.6 | -25.8 | 0 | 0 | 0 | 108.5 | N85 R89 | N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 2.77Å; N87-R89 PolarHBondContact O-N 3.13Å | ||
| 88 | K | 30.4 | Very low | 28.4 | Very low | 199 Ų | 199 | 163.5 Ų | 163.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -58.9 | 97.9 | 166.6 | -79.9 | 177 | 173.7 | 176.4 | 0 | 108.7 | Y86 | Y86-K88 PolarHBondContact O-N 2.82Š| ||
| 89 | R | 28.3 | Very low | 28 | Very low | 231 Ų | 231 | 165.1 Ų | 165.1 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -177.5 | 121.5 | 144.9 | -97.7 | 154.1 | -163.8 | -158.1 | 6 | 109.5 | N87 | N87-R89 PolarHBondContact O-N 3.13Š|
| 90 | N | 28.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 165.5 Ų | 165.5 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 73 | 66.3 | 157.3 | -53.7 | -8.8 | 0 | 0 | 0 | 118 | ||||
| 91 | F | 25.9 | Very low | 27.5 | Very low | 205 Ų | 205 | 165.9 Ų | 165.9 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -139.3 | 115.6 | 141.9 | -99.6 | -85 | 0 | 0 | 0 | 108.9 | P93 | F91-P93 WeakPolarHBondContact O-CD 3.46Š| ||
| 92 | V | 29.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 166.7 Ų | 166.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -65.9 | 114.9 | 169.4 | 177.3 | 0 | 0 | 0 | 0 | 106.3 | K94 | V92-K94 PolarHBondContact O-N 3.14Š| ||
| 93 | P | 27.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 165.7 Ų | 165.7 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -68 | 122.1 | -179.5 | -11.3 | 26.2 | 0 | 0 | 0 | 108.6 | F91 V95 | F91-P93 WeakPolarHBondContact O-CD 3.46Å; P93-V95 PolarHBondContact O-N 3.44Å | ||
| 94 | K | 29.9 | Very low | 27.1 | Very low | 195 Ų | 195 | 163.3 Ų | 163.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -56.6 | 128.1 | 156.5 | -84.6 | 179.5 | 174.8 | 177.7 | 0 | 106.4 | V92 E96 | V92-K94 PolarHBondContact O-N 3.14Å; K94-E96 VanDerWaalsContact C-N 3.29Å; K94-E96 PolarHBondContact O-N 3.43Å | ||
| 95 | V | 28.8 | Very low | 27 | Very low | 133 Ų | 133 | 163.7 Ų | 163.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -62 | 90.1 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 108 | P93 E97 | P93-V95 PolarHBondContact O-N 3.44Å; V95-E97 HydrophobicContact CG1-CG 4.36Å | ||
| 96 | E | 26.8 | Very low | 27.2 | Very low | 169 Ų | 169 | 162.4 Ų | 162.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 107.4 | 157.1 | -80.4 | -177.7 | 166 | 0 | 0 | 105.9 | K94 E98 | K94-E96 VanDerWaalsContact C-N 3.29Å; K94-E96 PolarHBondContact O-N 3.43Å; E96-E98 PolarHBondContact O-N 2.97Å | ||
| 97 | E | 25.8 | Very low | 27.3 | Very low | 172 Ų | 172 | 159.5 Ų | 159.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -62 | 83.7 | 165.3 | -72.6 | 179.2 | 151.3 | 0 | 0 | 108.3 | V95 Q99 | V95-E97 HydrophobicContact CG1-CG 4.36Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.76Å | ||
| 98 | E | 27 | Very low | 27.4 | Very low | 175 Ų | 175 | 163 Ų | 163 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -65.6 | 99.4 | 162.1 | -75.9 | -170.3 | 158.7 | 0 | 0 | 107.5 | E96 M100 | E96-E98 PolarHBondContact O-N 2.97Å; E98-M100 PolarHBondContact O-N 2.85Å; E98-M100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | Q | 27.7 | Very low | 27.6 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 113.8 | 173.3 | -76 | -179.1 | -21.6 | 0 | 0 | 109.5 | E97 L101 | E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.76Å; Q99-L101 PolarHBondContact O-N 3.16Å | ||
| 100 | M | 22.6 | Very low | 28.2 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -59.8 | 107 | 165.1 | -72 | -170.8 | 76.9 | 0 | 0 | 108.9 | E98 K102 L103 | E98-M100 PolarHBondContact O-N 2.85Å; E98-M100 VanDerWaalsContact O-N 3.1Å; M100-K102 PolarHBondContact O-N 3Å; M100-K102 VanDerWaalsContact O-N 3.16Å; M100-L103 HydrophobicContact CE-CD1 3.54Å | ||
| 101 | L | 27.9 | Very low | 29 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -60.1 | 111.1 | 165.8 | -88.2 | 138.9 | 0 | 0 | 0 | 109 | Q99 | Q99-L101 PolarHBondContact O-N 3.16Š| ||
| 102 | K | 26.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 148 Ų | 148 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | 46.8 | 93.6 | 164.6 | -80.7 | -171.8 | 160.9 | -146.2 | 0 | 116.3 | M100 E104 | M100-K102 PolarHBondContact O-N 3Å; M100-K102 VanDerWaalsContact O-N 3.16Å; K102-E104 IonicContact NZ-OE1 3.02Å; K102-E104 PolarHBondContact NZ-OE1 3.43Å | ||
| 103 | L | 23 | Very low | 31.3 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 65% | 0.654 | 72% | 0.724 | S | S | * | * | trans | -86.8 | 105.3 | 143.7 | -115 | 94.7 | 0 | 0 | 0 | 107.4 | M100 T105 | M100-L103 HydrophobicContact CE-CD1 3.54Å; L103-T105 HydrophobicContact CD2-CG2 4.14Å; L103-T105 PolarHBondContact O-N 3.23Å | ||
| 104 | E | 26 | Very low | 33.1 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -81.5 | 99.7 | 164 | -91.6 | 167.7 | -167.5 | 0 | 0 | 107.9 | K102 | K102-E104 IonicContact NZ-OE1 3.02Å; K102-E104 PolarHBondContact NZ-OE1 3.43Å | ||
| 105 | T | 25 | Very low | 35 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | -96.4 | 87.3 | 170.4 | 35 | 0 | 0 | 0 | 0 | 109.7 | L103 | L103-T105 HydrophobicContact CD2-CG2 4.14Å; L103-T105 PolarHBondContact O-N 3.23Å | ||
| 106 | D | 29.6 | Very low | 37.1 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | trans | -100 | 100.8 | 170.4 | -100.3 | -22.3 | 0 | 0 | 0 | 110.6 | ||||
| 107 | T | 27 | Very low | 39.5 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 89% | 0.89 | 66% | 0.662 | S | S | * | * | trans | -157.5 | 74.3 | 147.9 | 34.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | R | 31.1 | Very low | 41.9 | Very low | 231 Ų | 231 | 124.5 Ų | 124.5 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -95.4 | 121 | 160.1 | -75.1 | -169.7 | -176 | -172 | 3.1 | 108.6 | F110 | R108-F110 PolarHBondContact O-N 2.8Š| ||
| 109 | S | 34.9 | Very low | 44.3 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | trans | -54 | 121 | 166.3 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | T111 | S109-T111 PolarHBondContact O-N 3.04Š| ||
| 110 | F | 40 | Very low | 46.3 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | trans | -59.7 | 113.6 | 178.5 | -94.5 | -100.9 | 0 | 0 | 0 | 111.4 | R108 P224 F227 | R108-F110 PolarHBondContact O-N 2.8Å; F110-P224 HydrophobicContact CE2-CB 4.25Å; F110-P224 HydrophobicContact CZ-CB 4.44Å; F110-F227 HydrophobicContact CE1-CE2 4.3Å | ||
| 111 | T | 45.7 | Very low | 48.7 | Very low | 128 Ų | 128 | 110.1 Ų | 110.1 | 79% | 0.785 | 57% | 0.568 | S | S | * | * | trans | -104.1 | 120 | 149.7 | 40.1 | 0 | 0 | 0 | 0 | 106.9 | S109 | S109-T111 PolarHBondContact O-N 3.04Š| ||
| 112 | E | 51.6 | Low | 50.5 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | trans | -51.4 | 131.6 | 172.2 | -68.9 | -178 | 163.5 | 0 | 0 | 109.3 | Q114 | E112-Q114 PolarHBondContact O-N 2.66Š| ||
| 113 | P | 53.4 | Low | 52.2 | Low | 27 Ų | 27 | 100.1 Ų | 100.1 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | trans | -61.4 | 127.7 | 177.4 | 23.3 | -30.3 | 0 | 0 | 0 | 109.3 | T144 P146 F227 | P113-T144 HydrophobicContact CB-CG2 4.33Å; P113-T144 HydrophobicContact CG-CG2 3.95Å; P113-P146 VanDerWaalsContact O-CB 3.28Å; P113-P146 WeakPolarHBondContact O-CB 3.17Å; P113-F227 HydrophobicContact CG-CD2 4.36Å | ||
| 114 | Q | 64.7 | Low | 53.8 | Low | 193 Ų | 193 | 94.9 Ų | 94.9 | 90% | 0.902 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -83.9 | -13.4 | -179.1 | -67.7 | -175.3 | -12.3 | 0 | 0 | 113 | E112 | E112-Q114 PolarHBondContact O-N 2.66Š|
| 115 | S | 70.4 | Confident | 54.9 | Low | 63 Ų | 63 | 93.3 Ų | 93.3 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -142 | 159.5 | -175.9 | 53 | 0 | 0 | 0 | 0 | 110.9 | E117 | S115-E117 PolarHBondContact O-N 3.47Š|
| 116 | I | 72.5 | Confident | 56.3 | Low | 19 Ų | 19 | 96.3 Ų | 96.3 | 10% | 0.097 | 49% | 0.489 | C | S | . | . | trans | -68.1 | 127.1 | 170.1 | -61.8 | 172.6 | 0 | 0 | 0 | 108.3 | I143 T144 F145 P146 L255 T257 | I116-I143 HydrophobicContact CG2-CG2 4.14Å; I116-T144 WeakPolarHBondContact CA-O 3.37Å; I116-F145 HydrophobicContact CD1-CD1 4.26Å; I116-F145 HydrophobicContact CG1-CD1 4.1Å; I116-F145 HydrophobicContact CG2-CD1 4.34Å; I116-F145 HydrophobicContact CG2-CE1 4.28Å; I116-P146 HydrophobicContact CG1-CG 4.27Å; I116-L255 HydrophobicContact CG2-CD2 3.94Å; I116-T257 HydrophobicContact CD1-CG2 3.77Å | ||
| 117 | E | 76.2 | Confident | 57.5 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.7 | 176.6 | -68 | -176.4 | 175.3 | 0 | 0 | 110.2 | S115 I143 T144 | S115-E117 PolarHBondContact O-N 3.47Å; E117-I143 CarbonylContact O-C 3.55Å; E117-I143 WeakPolarHBondContact O-CA 3.23Å; E117-T144 PolarHBondContact N-O 3.22Å; E117-T144 PolarHBondContact O-N 2.78Å |
| 118 | L | 76.8 | Confident | 59 | Low | 29 Ų | 29 | 90 Ų | 90 | 15% | 0.152 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.7 | 173.6 | 170.5 | 69.1 | 0 | 0 | 0 | 109.2 | A141 I143 I253 L255 W262 | L118-A141 HydrophobicContact CD1-CB 4.23Å; L118-I143 HydrophobicContact CD1-CG1 3.84Å; L118-I253 HydrophobicContact CD1-CD1 4.35Å; L118-I253 HydrophobicContact CD1-CG2 4.13Å; L118-I253 HydrophobicContact CD2-CG2 3.44Å; L118-I253 VanDerWaalsContact CD2-CG2 3.44Å; L118-I253 HydrophobicContact CG-CG2 4.3Å; L118-L255 HydrophobicContact CB-CD2 4.33Å; L118-L255 HydrophobicContact CD2-CB 4.4Å; L118-W262 HydrophobicContact CD2-CB 4.25Å |
| 119 | I | 76.6 | Confident | 60.5 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.5 | 175.1 | -59.9 | 173.6 | 0 | 0 | 0 | 108.3 | K142 | I119-K142 HydrophobicContact CB-CB 4.46Å; I119-K142 PolarHBondContact N-O 3.26Å; I119-K142 PolarHBondContact O-N 2.81Å |
| 120 | L | 71.7 | Confident | 61.9 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 22% | 0.22 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.8 | 171.4 | -72.8 | 175.6 | 0 | 0 | 0 | 109.5 | V139 A141 I253 G264 L266 | L120-V139 HydrophobicContact CD2-CG1 3.79Å; L120-A141 HydrophobicContact CD2-CB 3.59Å; L120-I253 HydrophobicContact CD1-CG2 3.88Å; L120-I253 HydrophobicContact CD2-CB 4.45Å; L120-I253 HydrophobicContact CD2-CG2 3.83Å; L120-I253 HydrophobicContact CG-CG2 4.1Å; L120-G264 VanDerWaalsContact CD1-CA 3.48Å; L120-L266 HydrophobicContact CD1-CD1 4.08Å |
| 121 | N | 71.4 | Confident | 63.1 | Low | 93 Ų | 93 | 76.8 Ų | 76.8 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.3 | 173.9 | -75.4 | -22.1 | 0 | 0 | 0 | 110.1 | T140 | N121-T140 PolarHBondContact N-O 3.29Å; N121-T140 PolarHBondContact O-N 3.46Å |
| 122 | R | 66.2 | Low | 64.2 | Low | 45 Ų | 45 | 70.8 Ų | 70.8 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 116.6 | 168.9 | -174.7 | 172.6 | 169.9 | -167.3 | -13 | 107.9 | D124 T128 L266 | R122-D124 VanDerWaalsContact C-N 3.33Å; R122-D124 HydrophobicContact CG-CB 4.5Å; R122-D124 IonicContact CZ-OD2 2.86Å; R122-D124 IonicContact NE-OD2 2.81Å; R122-D124 PolarHBondContact NE-OD2 2.84Å; R122-D124 IonicContact NH2-OD2 2.66Å; R122-D124 PolarHBondContact NH2-OD2 3.08Å; R122-D124 PolarHBondContact O-N 2.81Å; R122-T128 PolarHBondContact NH1-O 2.86Å; R122-T128 PolarHBondContact NH2-O 2.82Å; R122-L266 HydrophobicContact CB-CD2 4.33Å |
| 123 | E | 61.9 | Low | 64.9 | Low | 79 Ų | 79 | 68.6 Ų | 68.6 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | trans | -93.6 | 27.9 | -171.4 | -90 | -177.4 | -164.3 | 0 | 0 | 112.8 | S138 T140 K232 H377 | E123-S138 PolarHBondContact N-O 2.76Å; E123-T140 PolarHBondContact OE1-OG1 2.98Å; E123-T140 PolarHBondContact OE2-OG1 3.4Å; E123-K232 IonicContact OE1-NZ 3.68Å; E123-K232 PolarHBondContact OE1-NZ 3.24Å; E123-K232 IonicContact OE2-NZ 3.22Å; E123-K232 PolarHBondContact OE2-NZ 3.14Å; E123-H377 WeakPolarHBondContact CB-CE1 3.3Å; E123-H377 WeakPolarHBondContact CB-NE2 3.38Å; E123-H377 PolarHBondContact O-CE1 2.83Å; E123-H377 IonicContact OE2-CD2 3.04Å; E123-H377 PolarHBondContact OE2-CD2 3.46Å; E123-H377 IonicContact OE2-CE1 2.79Å; E123-H377 IonicContact OE2-NE2 3.05Å; E123-H377 PolarHBondContact OE2-NE2 2.9Å | ||
| 124 | D | 56.5 | Low | 65.2 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | trans | -74.3 | 147.8 | -179.3 | -67 | -15.9 | 0 | 0 | 0 | 112.1 | R122 K126 P127 | R122-D124 VanDerWaalsContact C-N 3.33Å; R122-D124 HydrophobicContact CG-CB 4.5Å; R122-D124 IonicContact CZ-OD2 2.86Å; R122-D124 IonicContact NE-OD2 2.81Å; R122-D124 PolarHBondContact NE-OD2 2.84Å; R122-D124 IonicContact NH2-OD2 2.66Å; R122-D124 PolarHBondContact NH2-OD2 3.08Å; R122-D124 PolarHBondContact O-N 2.81Å; D124-K126 PolarHBondContact O-N 2.85Å; D124-K126 VanDerWaalsContact O-N 3.12Å; D124-P127 WeakPolarHBondContact O-CD 3.3Å | ||
| 125 | I | 50.2 | Low | 65.1 | Low | 113 Ų | 113 | 59 Ų | 59 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -59.3 | -27 | 179.2 | -64 | 174 | 0 | 0 | 0 | 112.2 | L277 Y376 | I125-L277 HydrophobicContact CD1-CD1 4.47Å; I125-Y376 HydrophobicContact CB-CD1 4.25Å; I125-Y376 HydrophobicContact CD1-CD1 3.98Å; I125-Y376 HydrophobicContact CG1-CD1 4Å |
| 126 | K | 53.6 | Low | 64.7 | Low | 174 Ų | 174 | 56.1 Ų | 56.1 | 76% | 0.757 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -148.6 | 92.4 | 169.4 | -74 | -173.6 | 178.7 | 179 | 0 | 109 | D124 T128 | D124-K126 PolarHBondContact O-N 2.85Å; D124-K126 VanDerWaalsContact O-N 3.12Å; K126-T128 PolarHBondContact O-N 2.87Å |
| 127 | P | 55.2 | Low | 64.4 | Low | 88 Ų | 88 | 55.3 Ų | 55.3 | 57% | 0.571 | 28% | 0.279 | S | S | * | . | trans | -67 | 106.4 | -179.2 | 25.8 | -30.6 | 0 | 0 | 0 | 109.5 | D124 | D124-P127 WeakPolarHBondContact O-CD 3.3Š| ||
| 128 | T | 58.1 | Low | 64.1 | Low | 54 Ų | 54 | 51.5 Ų | 51.5 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | trans | -98.6 | 143 | 168 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | R122 K126 N130 | R122-T128 PolarHBondContact NH1-O 2.86Å; R122-T128 PolarHBondContact NH2-O 2.82Å; K126-T128 PolarHBondContact O-N 2.87Å; T128-N130 PolarHBondContact O-N 3.05Å; T128-N130 VanDerWaalsContact O-N 3.14Å; T128-N130 PolarHBondContact OG1-O 2.79Å; T128-N130 VanDerWaalsContact OG1-O 3.14Å | ||
| 129 | E | 61.9 | Low | 63.9 | Low | 132 Ų | 132 | 50.2 Ų | 50.2 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -58.4 | -25.3 | 170.5 | -68.5 | -170.1 | 163.2 | 0 | 0 | 111.8 | I269 | E129-I269 HydrophobicContact CB-CD1 4.12Å; E129-I269 HydrophobicContact CB-CG1 4.37Å; E129-I269 PolarHBondContact O-N 2.79Å; E129-I269 WeakPolarHBondContact OE2-CD1 3.11Å |
| 130 | N | 65.6 | Low | 64 | Low | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 132.8 | -179.6 | -65.7 | -16.4 | 0 | 0 | 0 | 113.1 | T128 I269 | T128-N130 PolarHBondContact O-N 3.05Å; T128-N130 VanDerWaalsContact O-N 3.14Å; T128-N130 PolarHBondContact OG1-O 2.79Å; T128-N130 VanDerWaalsContact OG1-O 3.14Å; N130-I269 CarbonylContact C-O 3.58Å; N130-I269 WeakPolarHBondContact CA-O 3.22Å |
| 131 | V | 65.1 | Low | 64.4 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.3 | -177.8 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | W137 I237 L249 L268 I269 Y270 S271 | V131-W137 HydrophobicContact CB-CH2 3.66Å; V131-W137 HydrophobicContact CB-CZ2 3.28Å; V131-W137 HydrophobicContact CB-CZ3 4.5Å; V131-W137 HydrophobicContact CG1-CD2 4.04Å; V131-W137 VanDerWaalsContact CG1-CE2 3.41Å; V131-W137 HydrophobicContact CG1-CE3 4.45Å; V131-W137 HydrophobicContact CG1-CH2 3.91Å; V131-W137 HydrophobicContact CG1-CZ2 3.35Å; V131-W137 HydrophobicContact CG1-CZ3 4.4Å; V131-W137 HydrophobicContact CG2-CH2 4.43Å; V131-W137 HydrophobicContact CG2-CZ2 4.46Å; V131-I237 HydrophobicContact CB-CD1 4.05Å; V131-I237 HydrophobicContact CG2-CD1 3.71Å; V131-L249 HydrophobicContact CG2-CD1 3.95Å; V131-L268 HydrophobicContact CB-CB 4.4Å; V131-L268 HydrophobicContact CG1-CB 3.8Å; V131-L268 HydrophobicContact CG1-CD1 4.23Å; V131-L268 HydrophobicContact CG1-CD2 3.77Å; V131-L268 HydrophobicContact CG1-CG 4.13Å; V131-L268 HydrophobicContact CG2-CB 3.69Å; V131-I269 VanDerWaalsContact CG2-O 3.31Å; V131-I269 WeakPolarHBondContact CG2-O 2.92Å; V131-I269 PolarHBondContact N-O 3.46Å; V131-Y270 CarbonylContact O-C 3.58Å; V131-Y270 WeakPolarHBondContact O-CA 3.41Å; V131-S271 PolarHBondContact O-N 2.84Å |
| 132 | C | 68.5 | Low | 65 | Low | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | trans | -129.3 | 164.9 | -174.7 | -99.7 | 0 | 0 | 0 | 0 | 113.2 | Q135 S271 C274 | C132-Q135 HydrophobicContact CB-CB 4.45Å; C132-S271 PolarHBondContact SG-O 2.93Å; C132-C274 HydrophobicContact CB-CB 3.62Å; C132-C274 WeakPolarHBondContact CB-SG 3.33Å; C132-C274 WeakPolarHBondContact SG-CA 3.17Å; C132-C274 WeakPolarHBondContact SG-CB 3.31Å; C132-C274 PolarHBondContact SG-N 3.29Å; C132-C274 CovalentContact SG-SG 2.03Å; C132-C274 PolarHBondContact SG-SG 2.96Å | ||
| 133 | H | 67.2 | Low | 65.8 | Low | 46 Ų | 46 | 41.9 Ų | 41.9 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -57.2 | 142.4 | 165.6 | -69.5 | -56 | 0 | 0 | 0 | 111.8 | Q135 I237 L238 E239 V241 Y270 | H133-Q135 PolarHBondContact O-N 2.83Å; H133-I237 VanDerWaalsContact ND1-CG2 3.3Å; H133-I237 WeakPolarHBondContact ND1-CG2 3.23Å; H133-L238 PolarHBondContact CE1-O 2.76Å; H133-L238 PolarHBondContact ND1-O 3.28Å; H133-E239 HydrophobicContact CB-CG 4.34Å; H133-V241 PolarHBondContact CE1-O 2.87Å; H133-V241 PolarHBondContact NE2-O 2.88Å; H133-V241 VanDerWaalsContact NE2-O 3.14Å; H133-Y270 AromaticContact CD2-CE2 3.46Å; H133-Y270 VanDerWaalsContact CD2-CE2 3.46Å; H133-Y270 WeakPolarHBondContact CD2-CE2 3.39Å; H133-Y270 AromaticContact CD2-CZ 3.59Å; H133-Y270 PolarHBondContact CD2-OH 2.9Å; H133-Y270 AromaticContact CE1-CE2 3.89Å; H133-Y270 AromaticContact NE2-CE2 3.32Å; H133-Y270 VanDerWaalsContact NE2-CE2 3.32Å; H133-Y270 WeakPolarHBondContact NE2-CE2 3.48Å; H133-Y270 AromaticContact NE2-CZ 3.34Å; H133-Y270 VanDerWaalsContact NE2-CZ 3.34Å; H133-Y270 PolarHBondContact NE2-OH 2.92Å; H133-Y270 VanDerWaalsContact NE2-OH 3.07Å |
| 134 | G | 59.2 | Low | 66.8 | Low | 9 Ų | 9 | 39.1 Ų | 39.1 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 80.6 | -43.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A136 I236 I237 L374 | G134-A136 PolarHBondContact O-N 3.33Å; G134-I236 VanDerWaalsContact O-CG2 3.25Å; G134-I236 WeakPolarHBondContact O-CG2 3.49Å; G134-I237 PolarHBondContact N-O 2.83Å; G134-L374 VanDerWaalsContact C-CD1 3.41Å; G134-L374 WeakPolarHBondContact O-CD1 3.27Å |
| 135 | Q | 61.4 | Low | 67.8 | Low | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | trans | -56.4 | 135 | -170.6 | -166.7 | 179.6 | 4.5 | 0 | 0 | 114 | C132 H133 W137 Y376 | C132-Q135 HydrophobicContact CB-CB 4.45Å; H133-Q135 PolarHBondContact O-N 2.83Å; Q135-W137 HydrophobicContact CB-CZ2 3.75Å; Q135-W137 HydrophobicContact CG-CZ2 4.12Å; Q135-W137 WeakPolarHBondContact O-CH2 3.39Å; Q135-W137 WeakPolarHBondContact O-CZ2 3.32Å; Q135-Y376 HydrophobicContact CG-CE2 4.5Å; Q135-Y376 PolarHBondContact NE2-OH 3Å | ||
| 136 | A | 62.7 | Low | 69.2 | Low | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G134 I236 L374 L375 | G134-A136 PolarHBondContact O-N 3.33Å; A136-I236 HydrophobicContact CB-CD1 3.91Å; A136-I236 HydrophobicContact CB-CG1 3.57Å; A136-L374 HydrophobicContact CB-CB 3.92Å; A136-L375 HydrophobicContact CB-CD2 3.6Å; A136-L375 HydrophobicContact CB-CG 4.3Å |
| 137 | W | 65.5 | Low | 70.3 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.4 | 177 | -50.8 | -67 | 0 | 0 | 0 | 109.7 | V131 Q135 A234 V235 I237 L268 | V131-W137 HydrophobicContact CB-CH2 3.66Å; V131-W137 HydrophobicContact CB-CZ2 3.28Å; V131-W137 HydrophobicContact CB-CZ3 4.5Å; V131-W137 HydrophobicContact CG1-CD2 4.04Å; V131-W137 VanDerWaalsContact CG1-CE2 3.41Å; V131-W137 HydrophobicContact CG1-CE3 4.45Å; V131-W137 HydrophobicContact CG1-CH2 3.91Å; V131-W137 HydrophobicContact CG1-CZ2 3.35Å; V131-W137 HydrophobicContact CG1-CZ3 4.4Å; V131-W137 HydrophobicContact CG2-CH2 4.43Å; V131-W137 HydrophobicContact CG2-CZ2 4.46Å; Q135-W137 HydrophobicContact CB-CZ2 3.75Å; Q135-W137 HydrophobicContact CG-CZ2 4.12Å; Q135-W137 WeakPolarHBondContact O-CH2 3.39Å; Q135-W137 WeakPolarHBondContact O-CZ2 3.32Å; W137-A234 CarbonylContact O-C 3.58Å; W137-A234 VanDerWaalsContact O-CA 3.23Å; W137-A234 WeakPolarHBondContact O-CA 3.47Å; W137-V235 HydrophobicContact CE3-CB 4.19Å; W137-V235 HydrophobicContact CE3-CG1 4.29Å; W137-V235 PolarHBondContact N-O 2.98Å; W137-V235 PolarHBondContact O-N 3.21Å; W137-I237 HydrophobicContact CH2-CB 4.21Å; W137-I237 HydrophobicContact CH2-CD1 3.36Å; W137-I237 HydrophobicContact CH2-CG1 3.48Å; W137-I237 VanDerWaalsContact CH2-CG1 3.48Å; W137-I237 HydrophobicContact CZ2-CD1 4.33Å; W137-I237 HydrophobicContact CZ3-CD1 3.97Å; W137-I237 HydrophobicContact CZ3-CG1 3.71Å; W137-L268 HydrophobicContact CE3-CD1 4.07Å; W137-L268 HydrophobicContact CZ3-CD1 4.28Å |
| 138 | S | 70.2 | Confident | 71.5 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.5 | 179 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | E123 F233 H377 | E123-S138 PolarHBondContact N-O 2.76Å; S138-F233 CarbonylContact C-O 3.54Å; S138-F233 WeakPolarHBondContact CA-O 3.44Å; S138-H377 WeakPolarHBondContact CB-CD2 3.4Å; S138-H377 WeakPolarHBondContact CB-CE1 3.19Å; S138-H377 WeakPolarHBondContact CB-NE2 3.39Å; S138-H377 PolarHBondContact OG-CD2 3.37Å; S138-H377 PolarHBondContact OG-NE2 2.88Å |
| 139 | V | 73.5 | Confident | 72.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.3 | -171.4 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | L120 K232 F233 V235 L266 | L120-V139 HydrophobicContact CD2-CG1 3.79Å; V139-K232 WeakPolarHBondContact O-CA 3.21Å; V139-F233 HydrophobicContact CB-CD1 4.41Å; V139-F233 HydrophobicContact CB-CD2 4.24Å; V139-F233 HydrophobicContact CB-CE1 3.93Å; V139-F233 HydrophobicContact CB-CE2 3.75Å; V139-F233 HydrophobicContact CB-CZ 3.59Å; V139-F233 HydrophobicContact CG1-CE1 3.82Å; V139-F233 HydrophobicContact CG1-CE2 4.1Å; V139-F233 HydrophobicContact CG1-CZ 3.46Å; V139-F233 VanDerWaalsContact CG1-CZ 3.46Å; V139-F233 HydrophobicContact CG2-CE2 4.1Å; V139-F233 HydrophobicContact CG2-CZ 4.31Å; V139-F233 PolarHBondContact N-O 3.03Å; V139-F233 PolarHBondContact O-N 2.88Å; V139-F233 VanDerWaalsContact O-N 3.11Å; V139-V235 HydrophobicContact CG2-CG2 4.23Å; V139-L266 HydrophobicContact CB-CD1 4.47Å; V139-L266 HydrophobicContact CG1-CD1 3.74Å; V139-L266 HydrophobicContact CG2-CD1 3.85Å; V139-L266 HydrophobicContact CG2-CD2 4.42Å |
| 140 | T | 78.6 | Confident | 73.5 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.2 | 170.7 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | N121 E123 D230 L231 K232 | N121-T140 PolarHBondContact N-O 3.29Å; N121-T140 PolarHBondContact O-N 3.46Å; E123-T140 PolarHBondContact OE1-OG1 2.98Å; E123-T140 PolarHBondContact OE2-OG1 3.4Å; T140-D230 HydrophobicContact CG2-CB 4.31Å; T140-L231 CarbonylContact C-O 3.51Å; T140-L231 VanDerWaalsContact CA-O 3.29Å; T140-L231 WeakPolarHBondContact CA-O 3.14Å; T140-K232 HydrophobicContact CG2-CG 4.11Å |
| 141 | A | 80.8 | Confident | 74 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L118 L120 D230 L231 F233 I253 | L118-A141 HydrophobicContact CD1-CB 4.23Å; L120-A141 HydrophobicContact CD2-CB 3.59Å; A141-D230 WeakPolarHBondContact O-CA 3.33Å; A141-L231 HydrophobicContact CB-CB 4.3Å; A141-L231 PolarHBondContact N-O 2.98Å; A141-L231 PolarHBondContact O-N 3.33Å; A141-F233 HydrophobicContact CB-CE1 4.12Å; A141-I253 HydrophobicContact CB-CD1 3.63Å |
| 142 | K | 83.7 | Confident | 74.6 | Confident | 67 Ų | 67 | 22.9 Ų | 22.9 | 29% | 0.291 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.8 | 173.4 | 176.6 | 163.5 | -170.6 | 171.8 | 0 | 109 | I119 S228 D230 | I119-K142 HydrophobicContact CB-CB 4.46Å; I119-K142 PolarHBondContact N-O 3.26Å; I119-K142 PolarHBondContact O-N 2.81Å; K142-S228 VanDerWaalsContact CE-OG 3.24Å; K142-S228 WeakPolarHBondContact CE-OG 3.25Å; K142-D230 WeakPolarHBondContact CG-OD1 3.3Å |
| 143 | I | 82.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108 | -178.8 | -48.1 | 171.3 | 0 | 0 | 0 | 107.4 | I116 E117 L118 F145 I154 S228 I229 L231 L255 | I116-I143 HydrophobicContact CG2-CG2 4.14Å; E117-I143 CarbonylContact O-C 3.55Å; E117-I143 WeakPolarHBondContact O-CA 3.23Å; L118-I143 HydrophobicContact CD1-CG1 3.84Å; I143-F145 HydrophobicContact CB-CE2 4.02Å; I143-F145 HydrophobicContact CB-CZ 3.87Å; I143-F145 HydrophobicContact CG2-CD1 4.5Å; I143-F145 HydrophobicContact CG2-CE1 3.62Å; I143-F145 HydrophobicContact CG2-CE2 3.78Å; I143-F145 HydrophobicContact CG2-CZ 3.21Å; I143-F145 VanDerWaalsContact O-CE2 3.31Å; I143-F145 WeakPolarHBondContact O-CE2 3.47Å; I143-I154 HydrophobicContact CD1-CD1 3.41Å; I143-I154 VanDerWaalsContact CD1-CD1 3.41Å; I143-S228 CarbonylContact O-C 3.48Å; I143-S228 WeakPolarHBondContact O-CA 3.36Å; I143-S228 VanDerWaalsContact O-CB 3.3Å; I143-S228 WeakPolarHBondContact O-CB 3.36Å; I143-I229 PolarHBondContact N-O 3.21Å; I143-I229 PolarHBondContact O-N 2.64Å; I143-L231 HydrophobicContact CD1-CD1 3.91Å; I143-L231 HydrophobicContact CD1-CG 4.49Å; I143-L255 HydrophobicContact CD1-CD1 4.19Å; I143-L255 HydrophobicContact CG2-CD2 3.73Å |
| 144 | T | 81.9 | Confident | 76 | Confident | 21 Ų | 21 | 22.1 Ų | 22.1 | 13% | 0.129 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.9 | -179.9 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | P113 I116 E117 | P113-T144 HydrophobicContact CB-CG2 4.33Å; P113-T144 HydrophobicContact CG-CG2 3.95Å; I116-T144 WeakPolarHBondContact CA-O 3.37Å; E117-T144 PolarHBondContact N-O 3.22Å; E117-T144 PolarHBondContact O-N 2.78Å |
| 145 | F | 78.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -112.6 | 144.6 | -175.8 | -61 | -77.3 | 0 | 0 | 0 | 112.2 | I116 I143 L152 V216 F227 I229 | I116-F145 HydrophobicContact CD1-CD1 4.26Å; I116-F145 HydrophobicContact CG1-CD1 4.1Å; I116-F145 HydrophobicContact CG2-CD1 4.34Å; I116-F145 HydrophobicContact CG2-CE1 4.28Å; I143-F145 HydrophobicContact CB-CE2 4.02Å; I143-F145 HydrophobicContact CB-CZ 3.87Å; I143-F145 HydrophobicContact CG2-CD1 4.5Å; I143-F145 HydrophobicContact CG2-CE1 3.62Å; I143-F145 HydrophobicContact CG2-CE2 3.78Å; I143-F145 HydrophobicContact CG2-CZ 3.21Å; I143-F145 VanDerWaalsContact O-CE2 3.31Å; I143-F145 WeakPolarHBondContact O-CE2 3.47Å; F145-L152 HydrophobicContact CD1-CD1 4.31Å; F145-L152 HydrophobicContact CE1-CD1 3.33Å; F145-L152 HydrophobicContact CE1-CD2 3.45Å; F145-L152 VanDerWaalsContact CE1-CD2 3.45Å; F145-L152 HydrophobicContact CE1-CG 3.96Å; F145-L152 HydrophobicContact CE2-CD1 4.33Å; F145-L152 HydrophobicContact CZ-CD1 3.31Å; F145-L152 HydrophobicContact CZ-CD2 4.01Å; F145-L152 HydrophobicContact CZ-CG 4.28Å; F145-V216 HydrophobicContact CB-CG1 4.44Å; F145-V216 HydrophobicContact CB-CG2 3.59Å; F145-V216 HydrophobicContact CG-CG2 4.18Å; F145-F227 PolarHBondContact N-O 3.09Å; F145-F227 VanDerWaalsContact O-CB 3.28Å; F145-F227 WeakPolarHBondContact O-CB 3.44Å; F145-I229 HydrophobicContact CD2-CG1 4.46Å; F145-I229 HydrophobicContact CE2-CB 4.09Å; F145-I229 HydrophobicContact CE2-CD1 3.59Å; F145-I229 HydrophobicContact CE2-CG1 3.72Å; F145-I229 HydrophobicContact CZ-CD1 4.12Å | ||
| 146 | P | 79.2 | Confident | 78.3 | Confident | 22 Ų | 22 | 23.3 Ų | 23.3 | 14% | 0.143 | 13% | 0.133 | C | C | . | . | trans | -72.9 | 157.3 | 163.9 | 31.7 | -32.4 | 0 | 0 | 0 | 110.4 | P113 I116 G148 H150 | P113-P146 VanDerWaalsContact O-CB 3.28Å; P113-P146 WeakPolarHBondContact O-CB 3.17Å; I116-P146 HydrophobicContact CG1-CG 4.27Å; P146-G148 PolarHBondContact O-N 2.92Å; P146-H150 PolarHBondContact O-NE2 3.33Å | ||
| 147 | P | 76.9 | Confident | 79.1 | Confident | 36 Ų | 36 | 25.2 Ų | 25.2 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -56.2 | 135.7 | 175.2 | -22.2 | 31.9 | 0 | 0 | 0 | 112.4 | V216 K218 | P147-V216 WeakPolarHBondContact CA-O 3.5Å; P147-K218 HydrophobicContact CB-CG 3.71Å; P147-K218 HydrophobicContact CG-CG 4.14Å |
| 148 | G | 80.7 | Confident | 79.9 | Confident | 33 Ų | 33 | 25 Ų | 25 | 34% | 0.34 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.3 | -176.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P146 H150 V216 | P146-G148 PolarHBondContact O-N 2.92Å; G148-H150 PolarHBondContact O-CD2 2.81Å; G148-V216 PolarHBondContact N-O 3.12Å; G148-V216 PolarHBondContact O-N 3.15Å |
| 149 | N | 80.5 | Confident | 80.5 | Confident | 107 Ų | 107 | 24.5 Ų | 24.5 | 57% | 0.572 | 14% | 0.139 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.7 | 177.9 | -82.5 | -17.5 | 0 | 0 | 0 | 111.4 | V214 E215 | N149-V214 WeakPolarHBondContact CA-O 3.24Å; N149-E215 VanDerWaalsContact OD1-CA 3.25Å; N149-E215 WeakPolarHBondContact OD1-CA 3.38Å; N149-E215 WeakPolarHBondContact OD1-CB 3.42Å; N149-E215 WeakPolarHBondContact OD1-CG 3.46Å |
| 150 | H | 80.3 | Confident | 80.9 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.6 | -178.6 | -57.1 | -75.2 | 0 | 0 | 0 | 111 | P146 G148 L152 V214 | P146-H150 PolarHBondContact O-NE2 3.33Å; G148-H150 PolarHBondContact O-CD2 2.81Å; H150-L152 HydrophobicContact CB-CD1 4.41Å; H150-L152 HydrophobicContact CB-CG 4.37Å; H150-V214 HydrophobicContact CB-CB 4.48Å; H150-V214 PolarHBondContact N-O 3.13Å; H150-V214 PolarHBondContact O-N 2.87Å |
| 151 | T | 76.9 | Confident | 81 | Confident | 65 Ų | 65 | 30.7 Ų | 30.7 | 40% | 0.399 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.4 | 168.1 | -28.2 | 0 | 0 | 0 | 0 | 107.5 | ||
| 152 | L | 77.6 | Confident | 80.6 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.7 | -169.5 | -65.3 | 151.2 | 0 | 0 | 0 | 111.2 | F145 H150 F211 V214 L255 T257 | F145-L152 HydrophobicContact CD1-CD1 4.31Å; F145-L152 HydrophobicContact CE1-CD1 3.33Å; F145-L152 HydrophobicContact CE1-CD2 3.45Å; F145-L152 VanDerWaalsContact CE1-CD2 3.45Å; F145-L152 HydrophobicContact CE1-CG 3.96Å; F145-L152 HydrophobicContact CE2-CD1 4.33Å; F145-L152 HydrophobicContact CZ-CD1 3.31Å; F145-L152 HydrophobicContact CZ-CD2 4.01Å; F145-L152 HydrophobicContact CZ-CG 4.28Å; H150-L152 HydrophobicContact CB-CD1 4.41Å; H150-L152 HydrophobicContact CB-CG 4.37Å; L152-F211 HydrophobicContact CB-CB 4.11Å; L152-F211 HydrophobicContact CB-CD2 3.96Å; L152-F211 HydrophobicContact CB-CG 4.38Å; L152-F211 PolarHBondContact N-O 3.19Å; L152-F211 PolarHBondContact O-N 3.32Å; L152-V214 HydrophobicContact CD1-CB 3.84Å; L152-V214 HydrophobicContact CD1-CG1 4.22Å; L152-V214 HydrophobicContact CD1-CG2 3.56Å; L152-L255 HydrophobicContact CD2-CD1 3.72Å; L152-L255 HydrophobicContact CD2-CG 4.5Å; L152-T257 HydrophobicContact CD2-CG2 3.65Å |
| 153 | H | 82 | Confident | 80 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.2 | 171.7 | -168.8 | -84.6 | 0 | 0 | 0 | 108.7 | E155 T208 L209 K210 E256 | H153-E155 IonicContact CE1-OE1 3.26Å; H153-E155 PolarHBondContact CE1-OE1 3.19Å; H153-T208 WeakPolarHBondContact CE1-CG2 3.06Å; H153-T208 VanDerWaalsContact NE2-CG2 3.32Å; H153-T208 WeakPolarHBondContact NE2-CG2 3.29Å; H153-L209 WeakPolarHBondContact CA-O 3.37Å; H153-K210 WeakPolarHBondContact CD2-CE 3.44Å; H153-K210 VanDerWaalsContact CD2-CG 3.4Å; H153-K210 WeakPolarHBondContact CD2-CG 3.49Å; H153-K210 WeakPolarHBondContact NE2-CE 3.4Å; H153-E256 HydrophobicContact CB-CB 4.05Å; H153-E256 PolarHBondContact N-O 2.78Å; H153-E256 IonicContact ND1-OE2 2.66Å; H153-E256 PolarHBondContact O-N 3.39Å |
| 154 | I | 84 | Confident | 79.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.5 | -176.7 | -47.1 | -171.2 | 0 | 0 | 0 | 108.9 | I143 L156 T208 L209 F211 L231 I253 L254 L255 | I143-I154 HydrophobicContact CD1-CD1 3.41Å; I143-I154 VanDerWaalsContact CD1-CD1 3.41Å; I154-L156 HydrophobicContact CG2-CD2 4.42Å; I154-T208 CarbonylContact O-C 3.53Å; I154-T208 VanDerWaalsContact O-CA 3.32Å; I154-T208 WeakPolarHBondContact O-CA 3.45Å; I154-L209 HydrophobicContact CB-CB 4.18Å; I154-L209 HydrophobicContact CB-CD1 4.32Å; I154-L209 HydrophobicContact CG2-CD1 4.48Å; I154-L209 PolarHBondContact N-O 3.04Å; I154-L209 PolarHBondContact O-N 3.28Å; I154-F211 HydrophobicContact CD1-CD2 4.17Å; I154-F211 HydrophobicContact CD1-CE2 3.53Å; I154-F211 HydrophobicContact CD1-CZ 4.37Å; I154-F211 HydrophobicContact CG1-CD2 4.3Å; I154-F211 HydrophobicContact CG1-CE2 3.96Å; I154-L231 HydrophobicContact CD1-CD1 3.66Å; I154-L231 HydrophobicContact CG2-CD1 4.12Å; I154-I253 HydrophobicContact CG2-CD1 3.57Å; I154-I253 HydrophobicContact CG2-CG1 3.61Å; I154-L254 CarbonylContact C-O 3.57Å; I154-L254 VanDerWaalsContact CA-O 3.28Å; I154-L254 WeakPolarHBondContact CA-O 3.34Å; I154-L255 HydrophobicContact CD1-CD1 3.96Å; I154-L255 HydrophobicContact CG1-CD1 3.65Å |
| 155 | E | 83.2 | Confident | 79.3 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.201 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.8 | 170.8 | -53.6 | -169.1 | 149.6 | 0 | 0 | 110.5 | H153 Q206 I207 T208 I253 L254 | H153-E155 IonicContact CE1-OE1 3.26Å; H153-E155 PolarHBondContact CE1-OE1 3.19Å; E155-Q206 PolarHBondContact OE1-NE2 3.03Å; E155-Q206 VanDerWaalsContact OE1-NE2 3.11Å; E155-Q206 PolarHBondContact OE2-NE2 2.66Å; E155-I207 CarbonylContact C-O 3.5Å; E155-I207 WeakPolarHBondContact CA-O 3.13Å; E155-T208 HydrophobicContact CG-CG2 4.04Å; E155-I253 CarbonylContact O-C 3.57Å; E155-I253 VanDerWaalsContact O-CA 3.27Å; E155-I253 WeakPolarHBondContact O-CA 3.39Å; E155-L254 HydrophobicContact CB-CB 3.97Å; E155-L254 HydrophobicContact CG-CB 4.48Å; E155-L254 HydrophobicContact CG-CD2 4.46Å; E155-L254 PolarHBondContact N-O 3.27Å; E155-L254 PolarHBondContact O-N 3.37Å |
| 156 | L | 84 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.9 | 171 | -55.3 | 175.5 | 0 | 0 | 0 | 108.6 | I154 V169 F172 Q206 I207 F233 I253 | I154-L156 HydrophobicContact CG2-CD2 4.42Å; L156-V169 HydrophobicContact CB-CG1 4.49Å; L156-F172 HydrophobicContact CD1-CD2 3.31Å; L156-F172 HydrophobicContact CD1-CE2 3.72Å; L156-F172 HydrophobicContact CD1-CG 4.2Å; L156-Q206 WeakPolarHBondContact O-CA 2.95Å; L156-I207 HydrophobicContact CB-CB 4.21Å; L156-I207 HydrophobicContact CD1-CB 4.28Å; L156-I207 PolarHBondContact N-O 2.86Å; L156-I207 PolarHBondContact O-N 2.59Å; L156-I207 VanDerWaalsContact O-N 3.08Å; L156-F233 HydrophobicContact CD1-CB 4.13Å; L156-F233 HydrophobicContact CD1-CD1 4Å; L156-F233 HydrophobicContact CD1-CD2 4.48Å; L156-F233 HydrophobicContact CD1-CG 3.96Å; L156-F233 HydrophobicContact CD2-CD1 3.9Å; L156-F233 HydrophobicContact CD2-CE1 3.61Å; L156-F233 HydrophobicContact CD2-CE2 4.27Å; L156-F233 HydrophobicContact CD2-CG 4.35Å; L156-F233 HydrophobicContact CD2-CZ 3.8Å; L156-I253 HydrophobicContact CD2-CB 4.17Å; L156-I253 HydrophobicContact CD2-CD1 3.63Å; L156-I253 HydrophobicContact CD2-CG1 3.69Å |
| 157 | L | 81.4 | Confident | 79.4 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.6 | -175.2 | -60.8 | 173.4 | 0 | 0 | 0 | 111.1 | Q206 G252 | L157-Q206 HydrophobicContact CD2-CG 4.08Å; L157-G252 PolarHBondContact N-O 3.04Å |
| 158 | A | 82.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 157.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R160 V165 G167 V169 Q205 | A158-R160 PolarHBondContact O-N 2.74Å; A158-V165 HydrophobicContact CB-CG1 4.08Å; A158-G167 WeakPolarHBondContact CB-O 3.49Å; A158-V169 HydrophobicContact CB-CG2 4.2Å; A158-Q205 WeakPolarHBondContact CB-O 3.28Å; A158-Q205 PolarHBondContact N-O 3.46Å; A158-Q205 VanDerWaalsContact N-O 3.14Å |
| 159 | P | 83.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 133.2 | -176.2 | 25.8 | -24.5 | 0 | 0 | 0 | 110.7 | C166 V235 I237 K250 A251 | P159-C166 PolarHBondContact O-N 2.93Å; P159-V235 HydrophobicContact CB-CG1 4.03Å; P159-V235 HydrophobicContact CG-CG1 3.65Å; P159-I237 HydrophobicContact CG-CG1 4.29Å; P159-K250 WeakPolarHBondContact CA-O 3.42Å; P159-A251 HydrophobicContact CB-CB 4.18Å |
| 160 | R | 81.6 | Confident | 79 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 32% | 0.317 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | -179.6 | -59.1 | -173.2 | -176.6 | 179.8 | 0.8 | 112.2 | A158 D164 V165 L249 K250 | A158-R160 PolarHBondContact O-N 2.74Å; R160-D164 CarbonylContact C-O 3.45Å; R160-D164 WeakPolarHBondContact CA-O 3.14Å; R160-D164 WeakPolarHBondContact CB-O 3.31Å; R160-V165 HydrophobicContact CG-CG2 4.25Å; R160-L249 WeakPolarHBondContact O-CA 3.43Å; R160-K250 PolarHBondContact N-O 3.07Å; R160-K250 PolarHBondContact O-N 3.14Å |
| 161 | H | 79.5 | Confident | 78.5 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 26% | 0.259 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 113.3 | 166.5 | -176.2 | -104 | 0 | 0 | 0 | 109 | N163 D164 C166 L243 T248 L249 | H161-N163 VanDerWaalsContact C-N 3.28Å; H161-N163 PolarHBondContact O-N 2.91Å; H161-D164 PolarHBondContact N-O 3.13Å; H161-D164 PolarHBondContact O-N 3.02Å; H161-C166 WeakPolarHBondContact CB-SG 3.2Å; H161-C166 PolarHBondContact N-SG 3.09Å; H161-L243 HydrophobicContact CB-CD2 4.03Å; H161-T248 PolarHBondContact CD2-O 3.28Å; H161-L249 HydrophobicContact CB-CD2 3.67Å |
| 162 | V | 73.7 | Confident | 78.3 | Confident | 120 Ų | 120 | 40.5 Ų | 40.5 | 73% | 0.727 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -84.9 | -172.8 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 163 | N | 70.8 | Confident | 78 | Confident | 134 Ų | 134 | 41.7 Ų | 41.7 | 72% | 0.717 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128 | -12.6 | 177.2 | -68.6 | -27.7 | 0 | 0 | 0 | 113.6 | H161 | H161-N163 VanDerWaalsContact C-N 3.28Å; H161-N163 PolarHBondContact O-N 2.91Å |
| 164 | D | 73.4 | Confident | 77.6 | Confident | 115 Ų | 115 | 42.9 Ų | 42.9 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.4 | -174.8 | -65.3 | -30.3 | 0 | 0 | 0 | 111 | R160 H161 C166 | R160-D164 CarbonylContact C-O 3.45Å; R160-D164 WeakPolarHBondContact CA-O 3.14Å; R160-D164 WeakPolarHBondContact CB-O 3.31Å; H161-D164 PolarHBondContact N-O 3.13Å; H161-D164 PolarHBondContact O-N 3.02Å; D164-C166 PolarHBondContact O-N 3.19Å; D164-C166 PolarHBondContact O-SG 2.93Å; D164-C166 VanDerWaalsContact O-SG 3.33Å |
| 165 | V | 75.4 | Confident | 77.2 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.9 | 174.4 | 180 | 0 | 0 | 0 | 0 | 109 | A158 R160 G167 Q205 | A158-V165 HydrophobicContact CB-CG1 4.08Å; R160-V165 HydrophobicContact CG-CG2 4.25Å; V165-G167 WeakPolarHBondContact CG1-O 3.39Å; V165-Q205 HydrophobicContact CG1-CG 4.09Å; V165-Q205 HydrophobicContact CG2-CG 4.11Å; V165-Q205 VanDerWaalsContact CG2-NE2 3.31Å |
| 166 | C | 80.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | trans | -99.5 | 5.5 | -175.1 | -57.2 | 0 | 0 | 0 | 0 | 113 | P159 H161 D164 I237 L238 V241 L249 | P159-C166 PolarHBondContact O-N 2.93Å; H161-C166 WeakPolarHBondContact CB-SG 3.2Å; H161-C166 PolarHBondContact N-SG 3.09Å; D164-C166 PolarHBondContact O-N 3.19Å; D164-C166 PolarHBondContact O-SG 2.93Å; D164-C166 VanDerWaalsContact O-SG 3.33Å; C166-I237 WeakPolarHBondContact O-CG2 3.41Å; C166-L238 PolarHBondContact O-N 2.95Å; C166-V241 HydrophobicContact CB-CG1 4.01Å; C166-L249 HydrophobicContact CB-CD2 4Å | ||
| 167 | G | 79.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -162.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A158 V165 I236 | A158-G167 WeakPolarHBondContact CB-O 3.49Å; V165-G167 WeakPolarHBondContact CG1-O 3.39Å; G167-I236 CarbonylContact C-O 3.54Å; G167-I236 WeakPolarHBondContact CA-O 3.2Å |
| 168 | Y | 80.1 | Confident | 76.2 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166.9 | -177.7 | 57.1 | -88 | 0 | 0 | 0 | 111.9 | K170 Q203 F204 I236 L238 | Y168-K170 HydrophobicContact CD2-CB 4.24Å; Y168-K170 HydrophobicContact CE2-CB 4.23Å; Y168-K170 HydrophobicContact CE2-CD 4.19Å; Y168-Q203 HydrophobicContact CD2-CB 3.86Å; Y168-Q203 HydrophobicContact CD2-CG 3.83Å; Y168-Q203 HydrophobicContact CE2-CB 4.33Å; Y168-Q203 HydrophobicContact CE2-CG 3.77Å; Y168-Q203 HydrophobicContact CG-CB 3.99Å; Y168-Q203 HydrophobicContact CG-CG 4.25Å; Y168-F204 CarbonylContact C-O 3.5Å; Y168-F204 WeakPolarHBondContact CA-O 3.14Å; Y168-I236 HydrophobicContact CD1-CB 4.49Å; Y168-I236 HydrophobicContact CD2-CB 4.23Å; Y168-I236 HydrophobicContact CD2-CD1 4.24Å; Y168-I236 HydrophobicContact CE1-CB 4.08Å; Y168-I236 HydrophobicContact CE1-CG2 3.82Å; Y168-I236 HydrophobicContact CE2-CB 3.82Å; Y168-I236 HydrophobicContact CE2-CD1 3.43Å; Y168-I236 VanDerWaalsContact CE2-CD1 3.43Å; Y168-I236 HydrophobicContact CE2-CG1 4.14Å; Y168-I236 HydrophobicContact CE2-CG2 4.14Å; Y168-I236 PolarHBondContact N-O 3Å; Y168-I236 PolarHBondContact O-N 2.97Å; Y168-I236 WeakPolarHBondContact OH-CG2 3.38Å; Y168-L238 HydrophobicContact CD1-CD1 4.42Å; Y168-L238 HydrophobicContact CD1-CD2 4.2Å; Y168-L238 HydrophobicContact CD1-CG 3.93Å; Y168-L238 HydrophobicContact CE1-CD2 4.11Å; Y168-L238 HydrophobicContact CE1-CG 4.1Å |
| 169 | V | 76.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.6 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | L156 A158 F204 I207 F233 A234 | L156-V169 HydrophobicContact CB-CG1 4.49Å; A158-V169 HydrophobicContact CB-CG2 4.2Å; V169-F204 PolarHBondContact N-O 2.79Å; V169-F204 PolarHBondContact O-N 2.89Å; V169-F204 VanDerWaalsContact O-N 3.13Å; V169-I207 HydrophobicContact CB-CD1 4.21Å; V169-I207 HydrophobicContact CG1-CD1 3.73Å; V169-I207 HydrophobicContact CG1-CG1 4.43Å; V169-F233 HydrophobicContact CG1-CB 4.13Å; V169-F233 HydrophobicContact CG1-CD2 4.05Å; V169-F233 HydrophobicContact CG1-CG 4.48Å; V169-A234 CarbonylContact C-O 3.51Å; V169-A234 VanDerWaalsContact CA-O 3.3Å; V169-A234 WeakPolarHBondContact CA-O 2.95Å |
| 170 | K | 74.3 | Confident | 75.4 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 169.2 | 179.4 | -166.8 | 160.5 | -178 | 162.5 | 0 | 110.7 | Y168 F172 D200 E202 A234 I236 | Y168-K170 HydrophobicContact CD2-CB 4.24Å; Y168-K170 HydrophobicContact CE2-CB 4.23Å; Y168-K170 HydrophobicContact CE2-CD 4.19Å; K170-F172 VanDerWaalsContact C-N 3.28Å; K170-F172 PolarHBondContact O-N 3.47Å; K170-D200 VanDerWaalsContact NZ-CG 3.32Å; K170-D200 IonicContact NZ-OD1 2.8Å; K170-D200 PolarHBondContact NZ-OD1 2.85Å; K170-D200 IonicContact NZ-OD2 3.97Å; K170-D200 PolarHBondContact NZ-OD2 3.44Å; K170-E202 HydrophobicContact CD-CB 4.11Å; K170-E202 WeakPolarHBondContact CE-OE2 3.17Å; K170-E202 HydrophobicContact CG-CB 4.1Å; K170-E202 VanDerWaalsContact CG-O 3.31Å; K170-E202 WeakPolarHBondContact CG-O 3.48Å; K170-E202 IonicContact NZ-OE2 3.35Å; K170-A234 PolarHBondContact N-O 3.49Å; K170-A234 WeakPolarHBondContact O-CA 3.46Å; K170-A234 WeakPolarHBondContact O-CB 3.18Å; K170-A234 PolarHBondContact O-N 2.74Å; K170-I236 HydrophobicContact CB-CD1 4.08Å |
| 171 | Y | 69 | Low | 75.2 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 38.4 | 175.3 | -49.7 | -68.4 | 0 | 0 | 0 | 114 | A234 I236 L375 | Y171-A234 HydrophobicContact CD2-CB 3.85Å; Y171-I236 HydrophobicContact CE2-CD1 4.48Å; Y171-L375 HydrophobicContact CD1-CD1 4.25Å; Y171-L375 HydrophobicContact CD2-CD1 3.66Å; Y171-L375 HydrophobicContact CD2-CD2 3.41Å; Y171-L375 VanDerWaalsContact CD2-CD2 3.41Å; Y171-L375 HydrophobicContact CD2-CG 4.11Å; Y171-L375 HydrophobicContact CE1-CD1 3.91Å; Y171-L375 HydrophobicContact CE2-CD1 3.25Å; Y171-L375 HydrophobicContact CE2-CD2 3.51Å; Y171-L375 HydrophobicContact CE2-CG 3.78Å; Y171-L375 HydrophobicContact CG-CD1 4.14Å; Y171-L375 HydrophobicContact CG-CD2 4.33Å |
| 172 | F | 72.7 | Confident | 75.1 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 23% | 0.228 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.4 | 175.9 | 169.1 | -97.2 | 0 | 0 | 0 | 111 | L156 K170 L188 I207 L209 L231 K232 F233 | L156-F172 HydrophobicContact CD1-CD2 3.31Å; L156-F172 HydrophobicContact CD1-CE2 3.72Å; L156-F172 HydrophobicContact CD1-CG 4.2Å; K170-F172 VanDerWaalsContact C-N 3.28Å; K170-F172 PolarHBondContact O-N 3.47Å; F172-L188 HydrophobicContact CD1-CD1 4.17Å; F172-L188 HydrophobicContact CE1-CD1 3.98Å; F172-I207 HydrophobicContact CB-CD1 3.69Å; F172-I207 HydrophobicContact CD1-CG2 4.48Å; F172-I207 HydrophobicContact CG-CD1 4.22Å; F172-L209 HydrophobicContact CD2-CD1 4.41Å; F172-L209 HydrophobicContact CE1-CD1 3.98Å; F172-L209 HydrophobicContact CE1-CD2 3.58Å; F172-L209 HydrophobicContact CE1-CG 4.27Å; F172-L209 HydrophobicContact CE2-CD1 3.46Å; F172-L209 VanDerWaalsContact CE2-CD1 3.46Å; F172-L209 HydrophobicContact CZ-CD1 3.21Å; F172-L209 HydrophobicContact CZ-CD2 3.45Å; F172-L209 VanDerWaalsContact CZ-CD2 3.45Å; F172-L209 HydrophobicContact CZ-CG 3.89Å; F172-L231 HydrophobicContact CE2-CB 4.31Å; F172-L231 HydrophobicContact CE2-CD1 4.49Å; F172-L231 HydrophobicContact CE2-CD2 4.21Å; F172-L231 HydrophobicContact CZ-CD2 4.25Å; F172-K232 CarbonylContact C-O 3.48Å; F172-K232 WeakPolarHBondContact CA-O 3.46Å; F172-F233 HydrophobicContact CB-CB 4.35Å; F172-F233 HydrophobicContact CD2-CB 4.22Å |
| 173 | G | 72.1 | Confident | 75.2 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 157.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K232 | G173-K232 PolarHBondContact N-O 2.75Å; G173-K232 PolarHBondContact O-N 3.24Å |
| 174 | V | 72.8 | Confident | 75.3 | Confident | 56 Ų | 56 | 45 Ų | 45 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 112.8 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | I177 I229 L231 | V174-I177 HydrophobicContact CG1-CD1 3.99Å; V174-I177 HydrophobicContact CG1-CG1 3.54Å; V174-I229 HydrophobicContact CG1-CG2 4.12Å; V174-L231 HydrophobicContact CB-CD2 4.47Å; V174-L231 HydrophobicContact CG1-CD2 4.44Å; V174-L231 HydrophobicContact CG2-CD2 3.88Å |
| 175 | S | 74.8 | Confident | 75.3 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -28.1 | -175.4 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | D230 | S175-D230 PolarHBondContact N-O 3.04Å; S175-D230 WeakPolarHBondContact OG-CB 2.83Å; S175-D230 PolarHBondContact OG-O 2.64Å |
| 176 | F | 75.8 | Confident | 75.1 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 138.1 | 179 | -180 | -102.5 | 0 | 0 | 0 | 110 | G178 P226 D230 | F176-G178 VanDerWaalsContact CE1-CA 3.5Å; F176-P226 HydrophobicContact CE1-CB 4.13Å; F176-P226 HydrophobicContact CE1-CG 3.72Å; F176-P226 HydrophobicContact CZ-CG 4.06Å; F176-D230 HydrophobicContact CB-CB 3.97Å; F176-D230 PolarHBondContact N-O 2.79Å; F176-D230 PolarHBondContact O-N 2.92Å |
| 177 | I | 75.7 | Confident | 75 | Confident | 75 Ų | 75 | 50.1 Ų | 50.1 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.1 | 167.8 | -59.3 | 164.9 | 0 | 0 | 0 | 105.1 | V174 V181 I183 | V174-I177 HydrophobicContact CG1-CD1 3.99Å; V174-I177 HydrophobicContact CG1-CG1 3.54Å; I177-V181 HydrophobicContact CG2-CB 4.05Å; I177-V181 HydrophobicContact CG2-CG1 4.34Å; I177-V181 WeakPolarHBondContact CG2-O 3.49Å; I177-I183 HydrophobicContact CB-CD1 4.41Å; I177-I183 HydrophobicContact CD1-CD1 3.67Å; I177-I183 HydrophobicContact CG1-CD1 3.74Å; I177-I183 HydrophobicContact CG2-CD1 3.75Å; I177-I183 HydrophobicContact CG2-CG1 4.14Å |
| 178 | G | 76.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | trans | -58.1 | 143 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F176 H180 V181 P226 S228 | F176-G178 VanDerWaalsContact CE1-CA 3.5Å; G178-H180 PolarHBondContact O-N 3.29Å; G178-V181 WeakPolarHBondContact O-CB 3.48Å; G178-V181 PolarHBondContact O-N 2.85Å; G178-P226 WeakPolarHBondContact CA-O 3.33Å; G178-S228 PolarHBondContact N-O 3.4Å | ||
| 179 | H | 74 | Confident | 74.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.7 | -176.4 | -67.3 | 84.9 | 0 | 0 | 0 | 114.1 | D225 | H179-D225 HydrophobicContact CB-CB 4.32Å; H179-D225 WeakPolarHBondContact CB-OD2 3.43Å; H179-D225 IonicContact CE1-OD1 3.38Å; H179-D225 IonicContact CE1-OD2 3.84Å; H179-D225 IonicContact CG-OD1 2.72Å; H179-D225 IonicContact CG-OD2 2.85Å; H179-D225 IonicContact ND1-OD1 3.58Å; H179-D225 PolarHBondContact ND1-OD1 2.72Å; H179-D225 IonicContact ND1-OD2 3.55Å; H179-D225 PolarHBondContact ND1-OD2 3.46Å |
| 180 | H | 75 | Confident | 74.6 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 10% | 0.097 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.4 | 174.6 | -66.4 | -52.4 | 0 | 0 | 0 | 113.9 | G178 V216 Q217 F227 | G178-H180 PolarHBondContact O-N 3.29Å; H180-V216 CarbonylContact O-C 3.57Å; H180-V216 VanDerWaalsContact O-CA 3.31Å; H180-V216 WeakPolarHBondContact O-CA 3.49Å; H180-Q217 PolarHBondContact O-N 3.44Å; H180-F227 HydrophobicContact CB-CD1 3.67Å; H180-F227 HydrophobicContact CB-CE1 3.8Å; H180-F227 AromaticContact CD2-CE1 3.9Å; H180-F227 AromaticContact CG-CE1 3.96Å |
| 181 | V | 77 | Confident | 74.6 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 105.8 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | I177 G178 I183 V214 V216 I229 | I177-V181 HydrophobicContact CG2-CB 4.05Å; I177-V181 HydrophobicContact CG2-CG1 4.34Å; I177-V181 WeakPolarHBondContact CG2-O 3.49Å; G178-V181 WeakPolarHBondContact O-CB 3.48Å; G178-V181 PolarHBondContact O-N 2.85Å; V181-I183 HydrophobicContact CG1-CG1 4.01Å; V181-V214 HydrophobicContact CG1-CG1 3.5Å; V181-V216 HydrophobicContact CG1-CG2 4.44Å; V181-V216 HydrophobicContact CG2-CG2 4.41Å; V181-I229 HydrophobicContact CG1-CD1 3.99Å; V181-I229 HydrophobicContact CG1-CG1 3.91Å |
| 182 | N | 78.1 | Confident | 74.5 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118 | 170.7 | -86.4 | -16.8 | 0 | 0 | 0 | 110 | V214 E215 Q217 | N182-V214 WeakPolarHBondContact O-CA 3.3Å; N182-E215 HydrophobicContact CB-CB 4.24Å; N182-E215 PolarHBondContact N-O 3.48Å; N182-E215 PolarHBondContact O-N 3.13Å; N182-Q217 PolarHBondContact ND2-NE2 3.21Å |
| 183 | I | 75 | Confident | 73.9 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.6 | -179.7 | -55.8 | 179.7 | 0 | 0 | 0 | 109.6 | I177 V181 I186 F211 V214 I229 | I177-I183 HydrophobicContact CB-CD1 4.41Å; I177-I183 HydrophobicContact CD1-CD1 3.67Å; I177-I183 HydrophobicContact CG1-CD1 3.74Å; I177-I183 HydrophobicContact CG2-CD1 3.75Å; I177-I183 HydrophobicContact CG2-CG1 4.14Å; V181-I183 HydrophobicContact CG1-CG1 4.01Å; I183-I186 HydrophobicContact CG2-CD1 4Å; I183-I186 HydrophobicContact CG2-CG1 3.81Å; I183-F211 HydrophobicContact CD1-CE1 4.4Å; I183-F211 HydrophobicContact CG2-CD1 3.49Å; I183-F211 VanDerWaalsContact CG2-CD1 3.49Å; I183-F211 HydrophobicContact CG2-CE1 3.95Å; I183-V214 HydrophobicContact CG1-CG2 4.42Å; I183-V214 HydrophobicContact CG2-CG2 4.36Å; I183-I229 HydrophobicContact CD1-CD1 3.47Å; I183-I229 VanDerWaalsContact CD1-CD1 3.47Å; I183-I229 HydrophobicContact CD1-CG1 3.91Å; I183-I229 HydrophobicContact CG1-CD1 4Å |
| 184 | G | 72.6 | Confident | 73.1 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | trans | -76.7 | -152.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I186 N213 | G184-I186 PolarHBondContact O-N 3.16Å; G184-N213 PolarHBondContact N-O 3.4Å | ||
| 185 | E | 73.8 | Confident | 72.2 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | trans | -64.7 | 126.5 | -179.7 | -157.4 | 178.9 | -150.5 | 0 | 0 | 111.4 | K212 | E185-K212 HydrophobicContact CB-CD 4.42Å; E185-K212 PolarHBondContact O-N 2.9Å; E185-K212 IonicContact OE2-NZ 2.71Å; E185-K212 PolarHBondContact OE2-NZ 3.25Å | ||
| 186 | I | 72.1 | Confident | 71 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 35% | 0.354 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.7 | 177.2 | -52.2 | 175.7 | 0 | 0 | 0 | 108.1 | I183 G184 L209 F211 | I183-I186 HydrophobicContact CG2-CD1 4Å; I183-I186 HydrophobicContact CG2-CG1 3.81Å; G184-I186 PolarHBondContact O-N 3.16Å; I186-L209 HydrophobicContact CG2-CD2 3.81Å; I186-F211 HydrophobicContact CB-CE1 4.48Å; I186-F211 HydrophobicContact CD1-CD1 4.22Å; I186-F211 HydrophobicContact CD1-CE1 3.68Å; I186-F211 HydrophobicContact CG1-CD1 3.77Å; I186-F211 HydrophobicContact CG1-CE1 3.71Å; I186-F211 HydrophobicContact CG2-CD1 4.37Å; I186-F211 HydrophobicContact CG2-CE1 4.04Å; I186-F211 HydrophobicContact CG2-CZ 4.28Å |
| 187 | N | 76.7 | Confident | 69.5 | Low | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114.5 | 172.5 | -78.1 | -7.8 | 0 | 0 | 0 | 109.7 | L209 K210 | N187-L209 WeakPolarHBondContact O-CA 3.03Å; N187-K210 HydrophobicContact CB-CB 4.27Å; N187-K210 PolarHBondContact N-O 3.19Å; N187-K210 PolarHBondContact O-N 3.45Å |
| 188 | L | 74.9 | Confident | 68.1 | Low | 94 Ų | 94 | 74.9 Ų | 74.9 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.8 | 174.3 | -173.7 | 83.1 | 0 | 0 | 0 | 109.4 | F172 T190 I207 T208 L209 | F172-L188 HydrophobicContact CD1-CD1 4.17Å; F172-L188 HydrophobicContact CE1-CD1 3.98Å; L188-T190 HydrophobicContact CD2-CG2 4.15Å; L188-T190 HydrophobicContact CG-CG2 4.18Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; L188-I207 HydrophobicContact CG-CG2 4.44Å; L188-T208 WeakPolarHBondContact CA-O 3.23Å; L188-L209 HydrophobicContact CD1-CD2 3.49Å; L188-L209 VanDerWaalsContact CD1-CD2 3.49Å; L188-L209 HydrophobicContact CD1-CG 3.87Å |
| 189 | T | 78.3 | Confident | 66.6 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.3 | 168.5 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | T208 | T189-T208 PolarHBondContact N-O 2.83Å; T189-T208 PolarHBondContact O-N 3.27Å; T189-T208 WeakPolarHBondContact OG1-CB 3.47Å |
| 190 | T | 76.1 | Confident | 65.3 | Low | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.2 | -178 | 55.8 | 0 | 0 | 0 | 0 | 111 | L188 F204 Q206 I207 | L188-T190 HydrophobicContact CD2-CG2 4.15Å; L188-T190 HydrophobicContact CG-CG2 4.18Å; T190-F204 VanDerWaalsContact CB-CD1 3.41Å; T190-F204 HydrophobicContact CG2-CD1 3.89Å; T190-F204 HydrophobicContact CG2-CD2 4.34Å; T190-F204 HydrophobicContact CG2-CE1 3.91Å; T190-F204 HydrophobicContact CG2-CE2 4.35Å; T190-F204 HydrophobicContact CG2-CG 4.09Å; T190-F204 HydrophobicContact CG2-CZ 4.13Å; T190-Q206 WeakPolarHBondContact CA-O 3.02Å; T190-I207 HydrophobicContact CG2-CG1 4.21Å; T190-I207 HydrophobicContact CG2-CG2 4.26Å |
| 191 | V | 73.6 | Confident | 64.3 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 42% | 0.418 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.6 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | F204 Q205 Q206 | V191-F204 CarbonylContact O-C 3.58Å; V191-F204 WeakPolarHBondContact O-CA 3.38Å; V191-Q205 PolarHBondContact O-N 2.89Å; V191-Q206 HydrophobicContact CB-CB 4.19Å; V191-Q206 HydrophobicContact CG2-CB 4.27Å; V191-Q206 PolarHBondContact N-O 3.16Å |
| 192 | N | 67.2 | Low | 63.6 | Low | 94 Ų | 94 | 85 Ų | 85 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 147.6 | 177.3 | -66.6 | -14.3 | 0 | 0 | 0 | 110.6 | F204 | N192-F204 WeakPolarHBondContact OD1-CD1 3.43Å; N192-F204 WeakPolarHBondContact OD1-CE1 3.41Å |
| 193 | H | 58.9 | Low | 63.1 | Low | 27 Ų | 27 | 82.7 Ų | 82.7 | 13% | 0.125 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 140.3 | 177.2 | -170 | 64.9 | 0 | 0 | 0 | 111.9 | G195 T196 Q203 L238 | H193-G195 PolarHBondContact O-N 3.01Å; H193-T196 HydrophobicContact CB-CG2 4.22Å; H193-T196 PolarHBondContact O-N 2.93Å; H193-T196 PolarHBondContact O-OG1 2.88Å; H193-Q203 PolarHBondContact N-O 3.11Å; H193-L238 WeakPolarHBondContact NE2-CD1 3.42Å |
| 194 | P | 55.5 | Low | 63.1 | Low | 97 Ų | 97 | 82.3 Ų | 82.3 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 120.9 | 175.1 | -19.7 | 31 | 0 | 0 | 0 | 111.5 | ||
| 195 | G | 54.2 | Low | 63.2 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 81% | 0.814 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.1 | -1.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | H193 K197 | H193-G195 PolarHBondContact O-N 3.01Å; G195-K197 PolarHBondContact O-N 2.94Å; G195-K197 VanDerWaalsContact O-N 3.16Å |
| 196 | T | 49.8 | Very low | 63.5 | Low | 46 Ų | 46 | 78.8 Ų | 78.8 | 28% | 0.282 | 44% | 0.44 | S | S | . | . | trans | -63.5 | 112.4 | 168.6 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | H193 Q203 | H193-T196 HydrophobicContact CB-CG2 4.22Å; H193-T196 PolarHBondContact O-N 2.93Å; H193-T196 PolarHBondContact O-OG1 2.88Å; T196-Q203 HydrophobicContact CG2-CB 3.74Å; T196-Q203 HydrophobicContact CG2-CG 4.38Å | ||
| 197 | K | 44.6 | Very low | 63.8 | Low | 176 Ų | 176 | 75.6 Ų | 75.6 | 77% | 0.765 | 42% | 0.424 | S | S | * | . | trans | -61.5 | 145.5 | 161.6 | -72.6 | -176.8 | 177.5 | -179.2 | 0 | 108.3 | G195 D199 D200 | G195-K197 PolarHBondContact O-N 2.94Å; G195-K197 VanDerWaalsContact O-N 3.16Å; K197-D199 PolarHBondContact O-N 2.93Å; K197-D200 PolarHBondContact O-N 2.85Å | ||
| 198 | L | 45.7 | Very low | 64 | Low | 168 Ų | 168 | 72.7 Ų | 72.7 | 88% | 0.88 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -17.5 | -172.2 | -122.5 | 84.7 | 0 | 0 | 0 | 115.1 | ||
| 199 | D | 44.7 | Very low | 64.3 | Low | 154 Ų | 154 | 68.4 Ų | 68.4 | 82% | 0.824 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.2 | -171.5 | -61.6 | -33.1 | 0 | 0 | 0 | 116 | K197 | K197-D199 PolarHBondContact O-N 2.93Š|
| 200 | D | 48.6 | Very low | 64.4 | Low | 50 Ų | 50 | 69.6 Ų | 69.6 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | trans | -128.1 | 72.9 | 169.1 | -162.7 | 21.2 | 0 | 0 | 0 | 111.1 | K170 K197 E202 Q203 | K170-D200 VanDerWaalsContact NZ-CG 3.32Å; K170-D200 IonicContact NZ-OD1 2.8Å; K170-D200 PolarHBondContact NZ-OD1 2.85Å; K170-D200 IonicContact NZ-OD2 3.97Å; K170-D200 PolarHBondContact NZ-OD2 3.44Å; K197-D200 PolarHBondContact O-N 2.85Å; D200-E202 PolarHBondContact O-N 2.77Å; D200-Q203 PolarHBondContact OD2-NE2 2.9Å | ||
| 201 | P | 52.1 | Low | 64.5 | Low | 93 Ų | 93 | 67 Ų | 67 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 13.6 | -169.2 | 27.7 | -35.8 | 0 | 0 | 0 | 115.8 | F204 | P201-F204 VanDerWaalsContact O-CZ 3.23Å; P201-F204 WeakPolarHBondContact O-CZ 3.05Å |
| 202 | E | 62.8 | Low | 64.3 | Low | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 16 | -172 | -68.3 | -174.9 | 173.1 | 0 | 0 | 114.3 | K170 D200 F204 | K170-E202 HydrophobicContact CD-CB 4.11Å; K170-E202 WeakPolarHBondContact CE-OE2 3.17Å; K170-E202 HydrophobicContact CG-CB 4.1Å; K170-E202 VanDerWaalsContact CG-O 3.31Å; K170-E202 WeakPolarHBondContact CG-O 3.48Å; K170-E202 IonicContact NZ-OE2 3.35Å; D200-E202 PolarHBondContact O-N 2.77Å; E202-F204 HydrophobicContact CB-CE2 4.46Å |
| 203 | Q | 69 | Low | 64.8 | Low | 34 Ų | 34 | 69 Ų | 69 | 16% | 0.159 | 37% | 0.371 | C | S | . | . | trans | -101 | 100.6 | 177 | -58.1 | -176 | 12.1 | 0 | 0 | 111 | Y168 H193 T196 D200 | Y168-Q203 HydrophobicContact CD2-CB 3.86Å; Y168-Q203 HydrophobicContact CD2-CG 3.83Å; Y168-Q203 HydrophobicContact CE2-CB 4.33Å; Y168-Q203 HydrophobicContact CE2-CG 3.77Å; Y168-Q203 HydrophobicContact CG-CB 3.99Å; Y168-Q203 HydrophobicContact CG-CG 4.25Å; H193-Q203 PolarHBondContact N-O 3.11Å; T196-Q203 HydrophobicContact CG2-CB 3.74Å; T196-Q203 HydrophobicContact CG2-CG 4.38Å; D200-Q203 PolarHBondContact OD2-NE2 2.9Å | ||
| 204 | F | 73.1 | Confident | 65.7 | Low | 33 Ų | 33 | 67.7 Ų | 67.7 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.3 | -174.5 | -52.8 | -64.5 | 0 | 0 | 0 | 111.7 | Y168 V169 T190 V191 N192 P201 E202 Q206 I207 | Y168-F204 CarbonylContact C-O 3.5Å; Y168-F204 WeakPolarHBondContact CA-O 3.14Å; V169-F204 PolarHBondContact N-O 2.79Å; V169-F204 PolarHBondContact O-N 2.89Å; V169-F204 VanDerWaalsContact O-N 3.13Å; T190-F204 VanDerWaalsContact CB-CD1 3.41Å; T190-F204 HydrophobicContact CG2-CD1 3.89Å; T190-F204 HydrophobicContact CG2-CD2 4.34Å; T190-F204 HydrophobicContact CG2-CE1 3.91Å; T190-F204 HydrophobicContact CG2-CE2 4.35Å; T190-F204 HydrophobicContact CG2-CG 4.09Å; T190-F204 HydrophobicContact CG2-CZ 4.13Å; V191-F204 CarbonylContact O-C 3.58Å; V191-F204 WeakPolarHBondContact O-CA 3.38Å; N192-F204 WeakPolarHBondContact OD1-CD1 3.43Å; N192-F204 WeakPolarHBondContact OD1-CE1 3.41Å; P201-F204 VanDerWaalsContact O-CZ 3.23Å; P201-F204 WeakPolarHBondContact O-CZ 3.05Å; E202-F204 HydrophobicContact CB-CE2 4.46Å; F204-Q206 VanDerWaalsContact C-N 3.28Å; F204-I207 HydrophobicContact CB-CD1 4.24Å; F204-I207 HydrophobicContact CB-CG1 3.7Å; F204-I207 HydrophobicContact CD2-CD1 3.8Å; F204-I207 HydrophobicContact CD2-CG1 4.02Å; F204-I207 HydrophobicContact CG-CD1 4.34Å; F204-I207 HydrophobicContact CG-CG1 4.06Å |
| 205 | Q | 76.3 | Confident | 66.9 | Low | 43 Ų | 43 | 67.6 Ų | 67.6 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -33.6 | 169.2 | 174.1 | 173.5 | -5.8 | 0 | 0 | 111.2 | A158 V165 V191 | A158-Q205 WeakPolarHBondContact CB-O 3.28Å; A158-Q205 PolarHBondContact N-O 3.46Å; A158-Q205 VanDerWaalsContact N-O 3.14Å; V165-Q205 HydrophobicContact CG1-CG 4.09Å; V165-Q205 HydrophobicContact CG2-CG 4.11Å; V165-Q205 VanDerWaalsContact CG2-NE2 3.31Å; V191-Q205 PolarHBondContact O-N 2.89Å |
| 206 | Q | 78.7 | Confident | 68 | Low | 39 Ų | 39 | 64 Ų | 64 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 136.6 | -178.6 | 179.3 | 173.7 | -10.3 | 0 | 0 | 109.9 | E155 L156 L157 T190 V191 F204 T208 | E155-Q206 PolarHBondContact OE1-NE2 3.03Å; E155-Q206 VanDerWaalsContact OE1-NE2 3.11Å; E155-Q206 PolarHBondContact OE2-NE2 2.66Å; L156-Q206 WeakPolarHBondContact O-CA 2.95Å; L157-Q206 HydrophobicContact CD2-CG 4.08Å; T190-Q206 WeakPolarHBondContact CA-O 3.02Å; V191-Q206 HydrophobicContact CB-CB 4.19Å; V191-Q206 HydrophobicContact CG2-CB 4.27Å; V191-Q206 PolarHBondContact N-O 3.16Å; F204-Q206 VanDerWaalsContact C-N 3.28Å; Q206-T208 PolarHBondContact NE2-OG1 3.39Å |
| 207 | I | 80 | Confident | 69.2 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.5 | 171 | -56.8 | 178.1 | 0 | 0 | 0 | 107.2 | E155 L156 V169 F172 L188 T190 F204 L209 | E155-I207 CarbonylContact C-O 3.5Å; E155-I207 WeakPolarHBondContact CA-O 3.13Å; L156-I207 HydrophobicContact CB-CB 4.21Å; L156-I207 HydrophobicContact CD1-CB 4.28Å; L156-I207 PolarHBondContact N-O 2.86Å; L156-I207 PolarHBondContact O-N 2.59Å; L156-I207 VanDerWaalsContact O-N 3.08Å; V169-I207 HydrophobicContact CB-CD1 4.21Å; V169-I207 HydrophobicContact CG1-CD1 3.73Å; V169-I207 HydrophobicContact CG1-CG1 4.43Å; F172-I207 HydrophobicContact CB-CD1 3.69Å; F172-I207 HydrophobicContact CD1-CG2 4.48Å; F172-I207 HydrophobicContact CG-CD1 4.22Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; L188-I207 HydrophobicContact CG-CG2 4.44Å; T190-I207 HydrophobicContact CG2-CG1 4.21Å; T190-I207 HydrophobicContact CG2-CG2 4.26Å; F204-I207 HydrophobicContact CB-CD1 4.24Å; F204-I207 HydrophobicContact CB-CG1 3.7Å; F204-I207 HydrophobicContact CD2-CD1 3.8Å; F204-I207 HydrophobicContact CD2-CG1 4.02Å; F204-I207 HydrophobicContact CG-CD1 4.34Å; F204-I207 HydrophobicContact CG-CG1 4.06Å; I207-L209 HydrophobicContact CG2-CD1 4.47Å |
| 208 | T | 80 | Confident | 70.2 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.8 | 179.7 | -55 | 0 | 0 | 0 | 0 | 109.5 | H153 I154 E155 L188 T189 Q206 | H153-T208 WeakPolarHBondContact CE1-CG2 3.06Å; H153-T208 VanDerWaalsContact NE2-CG2 3.32Å; H153-T208 WeakPolarHBondContact NE2-CG2 3.29Å; I154-T208 CarbonylContact O-C 3.53Å; I154-T208 VanDerWaalsContact O-CA 3.32Å; I154-T208 WeakPolarHBondContact O-CA 3.45Å; E155-T208 HydrophobicContact CG-CG2 4.04Å; L188-T208 WeakPolarHBondContact CA-O 3.23Å; T189-T208 PolarHBondContact N-O 2.83Å; T189-T208 PolarHBondContact O-N 3.27Å; T189-T208 WeakPolarHBondContact OG1-CB 3.47Å; Q206-T208 PolarHBondContact NE2-OG1 3.39Å |
| 209 | L | 81.1 | Confident | 70.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.3 | 179.6 | -64.8 | 133 | 0 | 0 | 0 | 109.2 | H153 I154 F172 I186 N187 L188 I207 F211 | H153-L209 WeakPolarHBondContact CA-O 3.37Å; I154-L209 HydrophobicContact CB-CB 4.18Å; I154-L209 HydrophobicContact CB-CD1 4.32Å; I154-L209 HydrophobicContact CG2-CD1 4.48Å; I154-L209 PolarHBondContact N-O 3.04Å; I154-L209 PolarHBondContact O-N 3.28Å; F172-L209 HydrophobicContact CD2-CD1 4.41Å; F172-L209 HydrophobicContact CE1-CD1 3.98Å; F172-L209 HydrophobicContact CE1-CD2 3.58Å; F172-L209 HydrophobicContact CE1-CG 4.27Å; F172-L209 HydrophobicContact CE2-CD1 3.46Å; F172-L209 VanDerWaalsContact CE2-CD1 3.46Å; F172-L209 HydrophobicContact CZ-CD1 3.21Å; F172-L209 HydrophobicContact CZ-CD2 3.45Å; F172-L209 VanDerWaalsContact CZ-CD2 3.45Å; F172-L209 HydrophobicContact CZ-CG 3.89Å; I186-L209 HydrophobicContact CG2-CD2 3.81Å; N187-L209 WeakPolarHBondContact O-CA 3.03Å; L188-L209 HydrophobicContact CD1-CD2 3.49Å; L188-L209 VanDerWaalsContact CD1-CD2 3.49Å; L188-L209 HydrophobicContact CD1-CG 3.87Å; I207-L209 HydrophobicContact CG2-CD1 4.47Å; L209-F211 HydrophobicContact CB-CD2 4.4Å; L209-F211 HydrophobicContact CB-CE2 3.71Å; L209-F211 HydrophobicContact CB-CZ 4.34Å; L209-F211 HydrophobicContact CD2-CZ 4.48Å |
| 210 | K | 80.3 | Confident | 71.3 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 47% | 0.47 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.6 | 171.4 | -70.7 | -173.6 | -179.1 | 177.7 | 0 | 109.4 | H153 N187 | H153-K210 WeakPolarHBondContact CD2-CE 3.44Å; H153-K210 VanDerWaalsContact CD2-CG 3.4Å; H153-K210 WeakPolarHBondContact CD2-CG 3.49Å; H153-K210 WeakPolarHBondContact NE2-CE 3.4Å; N187-K210 HydrophobicContact CB-CB 4.27Å; N187-K210 PolarHBondContact N-O 3.19Å; N187-K210 PolarHBondContact O-N 3.45Å |
| 211 | F | 78.1 | Confident | 71.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.6 | 170.8 | -58.7 | -96.3 | 0 | 0 | 0 | 108.3 | L152 I154 I183 I186 L209 N213 V214 | L152-F211 HydrophobicContact CB-CB 4.11Å; L152-F211 HydrophobicContact CB-CD2 3.96Å; L152-F211 HydrophobicContact CB-CG 4.38Å; L152-F211 PolarHBondContact N-O 3.19Å; L152-F211 PolarHBondContact O-N 3.32Å; I154-F211 HydrophobicContact CD1-CD2 4.17Å; I154-F211 HydrophobicContact CD1-CE2 3.53Å; I154-F211 HydrophobicContact CD1-CZ 4.37Å; I154-F211 HydrophobicContact CG1-CD2 4.3Å; I154-F211 HydrophobicContact CG1-CE2 3.96Å; I183-F211 HydrophobicContact CD1-CE1 4.4Å; I183-F211 HydrophobicContact CG2-CD1 3.49Å; I183-F211 VanDerWaalsContact CG2-CD1 3.49Å; I183-F211 HydrophobicContact CG2-CE1 3.95Å; I186-F211 HydrophobicContact CB-CE1 4.48Å; I186-F211 HydrophobicContact CD1-CD1 4.22Å; I186-F211 HydrophobicContact CD1-CE1 3.68Å; I186-F211 HydrophobicContact CG1-CD1 3.77Å; I186-F211 HydrophobicContact CG1-CE1 3.71Å; I186-F211 HydrophobicContact CG2-CD1 4.37Å; I186-F211 HydrophobicContact CG2-CE1 4.04Å; I186-F211 HydrophobicContact CG2-CZ 4.28Å; L209-F211 HydrophobicContact CB-CD2 4.4Å; L209-F211 HydrophobicContact CB-CE2 3.71Å; L209-F211 HydrophobicContact CB-CZ 4.34Å; L209-F211 HydrophobicContact CD2-CZ 4.48Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 2.93Å; F211-V214 HydrophobicContact CB-CG2 3.66Å; F211-V214 HydrophobicContact CD1-CG2 4.19Å; F211-V214 HydrophobicContact CG-CG2 4.13Å |
| 212 | K | 70.8 | Confident | 70.9 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -32.8 | -176 | -77 | -176.4 | -176.4 | 166.4 | 0 | 113.2 | E185 | E185-K212 HydrophobicContact CB-CD 4.42Å; E185-K212 PolarHBondContact O-N 2.9Å; E185-K212 IonicContact OE2-NZ 2.71Å; E185-K212 PolarHBondContact OE2-NZ 3.25Å |
| 213 | N | 76.5 | Confident | 70.1 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 118 | 176.1 | -86.9 | -23 | 0 | 0 | 0 | 109.7 | G184 F211 | G184-N213 PolarHBondContact N-O 3.4Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 2.93Å |
| 214 | V | 78.4 | Confident | 69.1 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.1 | 167.5 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | N149 H150 L152 V181 N182 I183 F211 V216 I229 | N149-V214 WeakPolarHBondContact CA-O 3.24Å; H150-V214 HydrophobicContact CB-CB 4.48Å; H150-V214 PolarHBondContact N-O 3.13Å; H150-V214 PolarHBondContact O-N 2.87Å; L152-V214 HydrophobicContact CD1-CB 3.84Å; L152-V214 HydrophobicContact CD1-CG1 4.22Å; L152-V214 HydrophobicContact CD1-CG2 3.56Å; V181-V214 HydrophobicContact CG1-CG1 3.5Å; N182-V214 WeakPolarHBondContact O-CA 3.3Å; I183-V214 HydrophobicContact CG1-CG2 4.42Å; I183-V214 HydrophobicContact CG2-CG2 4.36Å; F211-V214 HydrophobicContact CB-CG2 3.66Å; F211-V214 HydrophobicContact CD1-CG2 4.19Å; F211-V214 HydrophobicContact CG-CG2 4.13Å; V214-V216 HydrophobicContact CG1-CG2 4.2Å; V214-I229 HydrophobicContact CG1-CD1 4.13Å; V214-I229 HydrophobicContact CG2-CD1 4.41Å |
| 215 | E | 80.1 | Confident | 68.1 | Low | 96 Ų | 96 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.6 | 179.7 | -178.3 | 171.1 | -161 | 0 | 0 | 109.8 | N149 N182 | N149-E215 VanDerWaalsContact OD1-CA 3.25Å; N149-E215 WeakPolarHBondContact OD1-CA 3.38Å; N149-E215 WeakPolarHBondContact OD1-CB 3.42Å; N149-E215 WeakPolarHBondContact OD1-CG 3.46Å; N182-E215 HydrophobicContact CB-CB 4.24Å; N182-E215 PolarHBondContact N-O 3.48Å; N182-E215 PolarHBondContact O-N 3.13Å |
| 216 | V | 77.7 | Confident | 67.3 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 105.1 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | F145 P147 G148 H180 V181 V214 F227 | F145-V216 HydrophobicContact CB-CG1 4.44Å; F145-V216 HydrophobicContact CB-CG2 3.59Å; F145-V216 HydrophobicContact CG-CG2 4.18Å; P147-V216 WeakPolarHBondContact CA-O 3.5Å; G148-V216 PolarHBondContact N-O 3.12Å; G148-V216 PolarHBondContact O-N 3.15Å; H180-V216 CarbonylContact O-C 3.57Å; H180-V216 VanDerWaalsContact O-CA 3.31Å; H180-V216 WeakPolarHBondContact O-CA 3.49Å; V181-V216 HydrophobicContact CG1-CG2 4.44Å; V181-V216 HydrophobicContact CG2-CG2 4.41Å; V214-V216 HydrophobicContact CG1-CG2 4.2Å; V216-F227 HydrophobicContact CG1-CB 3.96Å; V216-F227 HydrophobicContact CG1-CD1 3.49Å; V216-F227 VanDerWaalsContact CG1-CD1 3.49Å; V216-F227 HydrophobicContact CG1-CE1 4.4Å; V216-F227 HydrophobicContact CG1-CG 4.12Å |
| 217 | Q | 74.9 | Confident | 67.1 | Low | 90 Ų | 90 | 61.4 Ų | 61.4 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 143.7 | -177.2 | -63.5 | -176.3 | -4.7 | 0 | 0 | 110.8 | H180 N182 A219 F227 | H180-Q217 PolarHBondContact O-N 3.44Å; N182-Q217 PolarHBondContact ND2-NE2 3.21Å; Q217-A219 PolarHBondContact O-N 3.47Å; Q217-F227 VanDerWaalsContact O-CE1 3.3Å; Q217-F227 WeakPolarHBondContact O-CE1 3.47Å |
| 218 | K | 65.9 | Low | 67.2 | Low | 154 Ų | 154 | 61.3 Ų | 61.3 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 129.7 | 170.3 | -81.6 | -174.4 | 172.7 | -176.8 | 0 | 110.3 | P147 S220 | P147-K218 HydrophobicContact CB-CG 3.71Å; P147-K218 HydrophobicContact CG-CG 4.14Å; K218-S220 PolarHBondContact O-N 3.17Å |
| 219 | A | 57.1 | Low | 67.3 | Low | 38 Ų | 38 | 60.9 Ų | 60.9 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 125.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q217 F227 | Q217-A219 PolarHBondContact O-N 3.47Å; A219-F227 HydrophobicContact CB-CE1 4.19Å; A219-F227 HydrophobicContact CB-CZ 3.68Å |
| 220 | S | 54.9 | Low | 67.4 | Low | 126 Ų | 126 | 62 Ų | 62 | 88% | 0.881 | 34% | 0.343 | S | S | * | . | trans | -111.1 | -2.8 | 173.2 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | K218 | K218-S220 PolarHBondContact O-N 3.17Š| ||
| 221 | S | 46.4 | Very low | 67.5 | Low | 61 Ų | 61 | 56.9 Ų | 56.9 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -123.3 | 153.7 | -178 | 75.6 | 0 | 0 | 0 | 0 | 111.8 | I223 | S221-I223 PolarHBondContact O-N 3.46Š|
| 222 | S | 47.2 | Very low | 67.5 | Low | 127 Ų | 127 | 59.8 Ų | 59.8 | 89% | 0.888 | 33% | 0.334 | S | S | * | . | trans | -85.5 | 17.9 | -177.3 | 61.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 223 | I | 44.6 | Very low | 67.9 | Low | 101 Ų | 101 | 54.6 Ų | 54.6 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -81.3 | 130.3 | 174 | -59.7 | 174.6 | 0 | 0 | 0 | 106.7 | S221 D225 | S221-I223 PolarHBondContact O-N 3.46Å; I223-D225 PolarHBondContact O-N 2.96Å |
| 224 | P | 49.2 | Very low | 67.8 | Low | 84 Ų | 84 | 50.1 Ų | 50.1 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | trans | -72.6 | 77.3 | 179 | 30.3 | -32.7 | 0 | 0 | 0 | 109.4 | F110 | F110-P224 HydrophobicContact CE2-CB 4.25Å; F110-P224 HydrophobicContact CZ-CB 4.44Å | ||
| 225 | D | 51.2 | Low | 67.8 | Low | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | -104.4 | 121.9 | 178.7 | -114 | -42.6 | 0 | 0 | 0 | 110.9 | H179 I223 | H179-D225 HydrophobicContact CB-CB 4.32Å; H179-D225 WeakPolarHBondContact CB-OD2 3.43Å; H179-D225 IonicContact CE1-OD1 3.38Å; H179-D225 IonicContact CE1-OD2 3.84Å; H179-D225 IonicContact CG-OD1 2.72Å; H179-D225 IonicContact CG-OD2 2.85Å; H179-D225 IonicContact ND1-OD1 3.58Å; H179-D225 PolarHBondContact ND1-OD1 2.72Å; H179-D225 IonicContact ND1-OD2 3.55Å; H179-D225 PolarHBondContact ND1-OD2 3.46Å; I223-D225 PolarHBondContact O-N 2.96Å | ||
| 226 | P | 61.2 | Low | 67.5 | Low | 43 Ų | 43 | 46 Ų | 46 | 28% | 0.279 | 27% | 0.268 | S | S | . | . | trans | -68.8 | 143 | -174.3 | -14.1 | 26.6 | 0 | 0 | 0 | 112.2 | F176 G178 S228 | F176-P226 HydrophobicContact CE1-CB 4.13Å; F176-P226 HydrophobicContact CE1-CG 3.72Å; F176-P226 HydrophobicContact CZ-CG 4.06Å; G178-P226 WeakPolarHBondContact CA-O 3.33Å; P226-S228 WeakPolarHBondContact CB-OG 3.43Å; P226-S228 PolarHBondContact O-N 3Å | ||
| 227 | F | 72.8 | Confident | 67.4 | Low | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79 | 36.7 | 165.6 | -54.8 | -80.8 | 0 | 0 | 0 | 112.1 | F110 P113 F145 H180 V216 Q217 A219 | F110-F227 HydrophobicContact CE1-CE2 4.3Å; P113-F227 HydrophobicContact CG-CD2 4.36Å; F145-F227 PolarHBondContact N-O 3.09Å; F145-F227 VanDerWaalsContact O-CB 3.28Å; F145-F227 WeakPolarHBondContact O-CB 3.44Å; H180-F227 HydrophobicContact CB-CD1 3.67Å; H180-F227 HydrophobicContact CB-CE1 3.8Å; H180-F227 AromaticContact CD2-CE1 3.9Å; H180-F227 AromaticContact CG-CE1 3.96Å; V216-F227 HydrophobicContact CG1-CB 3.96Å; V216-F227 HydrophobicContact CG1-CD1 3.49Å; V216-F227 VanDerWaalsContact CG1-CD1 3.49Å; V216-F227 HydrophobicContact CG1-CE1 4.4Å; V216-F227 HydrophobicContact CG1-CG 4.12Å; Q217-F227 VanDerWaalsContact O-CE1 3.3Å; Q217-F227 WeakPolarHBondContact O-CE1 3.47Å; A219-F227 HydrophobicContact CB-CE1 4.19Å; A219-F227 HydrophobicContact CB-CZ 3.68Å |
| 228 | S | 81.9 | Confident | 67.2 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | -170 | 74.1 | 0 | 0 | 0 | 0 | 114.8 | K142 I143 G178 P226 D230 | K142-S228 VanDerWaalsContact CE-OG 3.24Å; K142-S228 WeakPolarHBondContact CE-OG 3.25Å; I143-S228 CarbonylContact O-C 3.48Å; I143-S228 WeakPolarHBondContact O-CA 3.36Å; I143-S228 VanDerWaalsContact O-CB 3.3Å; I143-S228 WeakPolarHBondContact O-CB 3.36Å; G178-S228 PolarHBondContact N-O 3.4Å; P226-S228 WeakPolarHBondContact CB-OG 3.43Å; P226-S228 PolarHBondContact O-N 3Å; S228-D230 PolarHBondContact OG-OD1 3.18Å |
| 229 | I | 82.8 | Confident | 67.2 | Low | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.2 | 164.6 | -60.1 | 171.3 | 0 | 0 | 0 | 107 | I143 F145 V174 V181 I183 V214 L231 | I143-I229 PolarHBondContact N-O 3.21Å; I143-I229 PolarHBondContact O-N 2.64Å; F145-I229 HydrophobicContact CD2-CG1 4.46Å; F145-I229 HydrophobicContact CE2-CB 4.09Å; F145-I229 HydrophobicContact CE2-CD1 3.59Å; F145-I229 HydrophobicContact CE2-CG1 3.72Å; F145-I229 HydrophobicContact CZ-CD1 4.12Å; V174-I229 HydrophobicContact CG1-CG2 4.12Å; V181-I229 HydrophobicContact CG1-CD1 3.99Å; V181-I229 HydrophobicContact CG1-CG1 3.91Å; I183-I229 HydrophobicContact CD1-CD1 3.47Å; I183-I229 VanDerWaalsContact CD1-CD1 3.47Å; I183-I229 HydrophobicContact CD1-CG1 3.91Å; I183-I229 HydrophobicContact CG1-CD1 4Å; V214-I229 HydrophobicContact CG1-CD1 4.13Å; V214-I229 HydrophobicContact CG2-CD1 4.41Å; I229-L231 HydrophobicContact CG2-CD2 3.87Å; I229-L231 HydrophobicContact CG2-CG 4.34Å |
| 230 | D | 82.4 | Confident | 67.6 | Low | 26 Ų | 26 | 46.3 Ų | 46.3 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.6 | 179.7 | -58.8 | 11.4 | 0 | 0 | 0 | 108.9 | T140 A141 K142 S175 F176 S228 | T140-D230 HydrophobicContact CG2-CB 4.31Å; A141-D230 WeakPolarHBondContact O-CA 3.33Å; K142-D230 WeakPolarHBondContact CG-OD1 3.3Å; S175-D230 PolarHBondContact N-O 3.04Å; S175-D230 WeakPolarHBondContact OG-CB 2.83Å; S175-D230 PolarHBondContact OG-O 2.64Å; F176-D230 HydrophobicContact CB-CB 3.97Å; F176-D230 PolarHBondContact N-O 2.79Å; F176-D230 PolarHBondContact O-N 2.92Å; S228-D230 PolarHBondContact OG-OD1 3.18Å |
| 231 | L | 82.8 | Confident | 68.3 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.3 | 177.6 | -53.7 | 174.7 | 0 | 0 | 0 | 109.5 | T140 A141 I143 I154 F172 V174 I229 | T140-L231 CarbonylContact C-O 3.51Å; T140-L231 VanDerWaalsContact CA-O 3.29Å; T140-L231 WeakPolarHBondContact CA-O 3.14Å; A141-L231 HydrophobicContact CB-CB 4.3Å; A141-L231 PolarHBondContact N-O 2.98Å; A141-L231 PolarHBondContact O-N 3.33Å; I143-L231 HydrophobicContact CD1-CD1 3.91Å; I143-L231 HydrophobicContact CD1-CG 4.49Å; I154-L231 HydrophobicContact CD1-CD1 3.66Å; I154-L231 HydrophobicContact CG2-CD1 4.12Å; F172-L231 HydrophobicContact CE2-CB 4.31Å; F172-L231 HydrophobicContact CE2-CD1 4.49Å; F172-L231 HydrophobicContact CE2-CD2 4.21Å; F172-L231 HydrophobicContact CZ-CD2 4.25Å; V174-L231 HydrophobicContact CB-CD2 4.47Å; V174-L231 HydrophobicContact CG1-CD2 4.44Å; V174-L231 HydrophobicContact CG2-CD2 3.88Å; I229-L231 HydrophobicContact CG2-CD2 3.87Å; I229-L231 HydrophobicContact CG2-CG 4.34Å |
| 232 | K | 79 | Confident | 69.5 | Low | 64 Ų | 64 | 44.9 Ų | 44.9 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 171.6 | -73.2 | -171.8 | -175.3 | -147.7 | 0 | 110.1 | E123 V139 T140 F172 G173 | E123-K232 IonicContact OE1-NZ 3.68Å; E123-K232 PolarHBondContact OE1-NZ 3.24Å; E123-K232 IonicContact OE2-NZ 3.22Å; E123-K232 PolarHBondContact OE2-NZ 3.14Å; V139-K232 WeakPolarHBondContact O-CA 3.21Å; T140-K232 HydrophobicContact CG2-CG 4.11Å; F172-K232 CarbonylContact C-O 3.48Å; F172-K232 WeakPolarHBondContact CA-O 3.46Å; G173-K232 PolarHBondContact N-O 2.75Å; G173-K232 PolarHBondContact O-N 3.24Å |
| 233 | F | 78.1 | Confident | 71 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 155 | 175.6 | 59.5 | -83.1 | 0 | 0 | 0 | 110.4 | S138 V139 A141 L156 V169 F172 V235 | S138-F233 CarbonylContact C-O 3.54Å; S138-F233 WeakPolarHBondContact CA-O 3.44Å; V139-F233 HydrophobicContact CB-CD1 4.41Å; V139-F233 HydrophobicContact CB-CD2 4.24Å; V139-F233 HydrophobicContact CB-CE1 3.93Å; V139-F233 HydrophobicContact CB-CE2 3.75Å; V139-F233 HydrophobicContact CB-CZ 3.59Å; V139-F233 HydrophobicContact CG1-CE1 3.82Å; V139-F233 HydrophobicContact CG1-CE2 4.1Å; V139-F233 HydrophobicContact CG1-CZ 3.46Å; V139-F233 VanDerWaalsContact CG1-CZ 3.46Å; V139-F233 HydrophobicContact CG2-CE2 4.1Å; V139-F233 HydrophobicContact CG2-CZ 4.31Å; V139-F233 PolarHBondContact N-O 3.03Å; V139-F233 PolarHBondContact O-N 2.88Å; V139-F233 VanDerWaalsContact O-N 3.11Å; A141-F233 HydrophobicContact CB-CE1 4.12Å; L156-F233 HydrophobicContact CD1-CB 4.13Å; L156-F233 HydrophobicContact CD1-CD1 4Å; L156-F233 HydrophobicContact CD1-CD2 4.48Å; L156-F233 HydrophobicContact CD1-CG 3.96Å; L156-F233 HydrophobicContact CD2-CD1 3.9Å; L156-F233 HydrophobicContact CD2-CE1 3.61Å; L156-F233 HydrophobicContact CD2-CE2 4.27Å; L156-F233 HydrophobicContact CD2-CG 4.35Å; L156-F233 HydrophobicContact CD2-CZ 3.8Å; V169-F233 HydrophobicContact CG1-CB 4.13Å; V169-F233 HydrophobicContact CG1-CD2 4.05Å; V169-F233 HydrophobicContact CG1-CG 4.48Å; F172-F233 HydrophobicContact CB-CB 4.35Å; F172-F233 HydrophobicContact CD2-CB 4.22Å; F233-V235 HydrophobicContact CD2-CG2 3.86Å; F233-V235 HydrophobicContact CE2-CG2 3.71Å |
| 234 | A | 74.5 | Confident | 72.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W137 V169 K170 Y171 L375 | W137-A234 CarbonylContact O-C 3.58Å; W137-A234 VanDerWaalsContact O-CA 3.23Å; W137-A234 WeakPolarHBondContact O-CA 3.47Å; V169-A234 CarbonylContact C-O 3.51Å; V169-A234 VanDerWaalsContact CA-O 3.3Å; V169-A234 WeakPolarHBondContact CA-O 2.95Å; K170-A234 PolarHBondContact N-O 3.49Å; K170-A234 WeakPolarHBondContact O-CA 3.46Å; K170-A234 WeakPolarHBondContact O-CB 3.18Å; K170-A234 PolarHBondContact O-N 2.74Å; Y171-A234 HydrophobicContact CD2-CB 3.85Å; A234-L375 HydrophobicContact CB-CD2 3.88Å |
| 235 | V | 78.4 | Confident | 73.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.8 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | W137 V139 P159 F233 A251 | W137-V235 HydrophobicContact CE3-CB 4.19Å; W137-V235 HydrophobicContact CE3-CG1 4.29Å; W137-V235 PolarHBondContact N-O 2.98Å; W137-V235 PolarHBondContact O-N 3.21Å; V139-V235 HydrophobicContact CG2-CG2 4.23Å; P159-V235 HydrophobicContact CB-CG1 4.03Å; P159-V235 HydrophobicContact CG-CG1 3.65Å; F233-V235 HydrophobicContact CD2-CG2 3.86Å; F233-V235 HydrophobicContact CE2-CG2 3.71Å; V235-A251 HydrophobicContact CG1-CB 3.79Å; V235-A251 HydrophobicContact CG2-CB 4.41Å |
| 236 | I | 74.8 | Confident | 74.8 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.3 | -171.9 | -59.1 | 167.4 | 0 | 0 | 0 | 110.6 | G134 A136 G167 Y168 K170 Y171 | G134-I236 VanDerWaalsContact O-CG2 3.25Å; G134-I236 WeakPolarHBondContact O-CG2 3.49Å; A136-I236 HydrophobicContact CB-CD1 3.91Å; A136-I236 HydrophobicContact CB-CG1 3.57Å; G167-I236 CarbonylContact C-O 3.54Å; G167-I236 WeakPolarHBondContact CA-O 3.2Å; Y168-I236 HydrophobicContact CD1-CB 4.49Å; Y168-I236 HydrophobicContact CD2-CB 4.23Å; Y168-I236 HydrophobicContact CD2-CD1 4.24Å; Y168-I236 HydrophobicContact CE1-CB 4.08Å; Y168-I236 HydrophobicContact CE1-CG2 3.82Å; Y168-I236 HydrophobicContact CE2-CB 3.82Å; Y168-I236 HydrophobicContact CE2-CD1 3.43Å; Y168-I236 VanDerWaalsContact CE2-CD1 3.43Å; Y168-I236 HydrophobicContact CE2-CG1 4.14Å; Y168-I236 HydrophobicContact CE2-CG2 4.14Å; Y168-I236 PolarHBondContact N-O 3Å; Y168-I236 PolarHBondContact O-N 2.97Å; Y168-I236 WeakPolarHBondContact OH-CG2 3.38Å; K170-I236 HydrophobicContact CB-CD1 4.08Å; Y171-I236 HydrophobicContact CE2-CD1 4.48Å |
| 237 | I | 75.7 | Confident | 75.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.2 | 172.6 | -62.7 | 166.9 | 0 | 0 | 0 | 110 | V131 H133 G134 W137 P159 C166 L243 L249 | V131-I237 HydrophobicContact CB-CD1 4.05Å; V131-I237 HydrophobicContact CG2-CD1 3.71Å; H133-I237 VanDerWaalsContact ND1-CG2 3.3Å; H133-I237 WeakPolarHBondContact ND1-CG2 3.23Å; G134-I237 PolarHBondContact N-O 2.83Å; W137-I237 HydrophobicContact CH2-CB 4.21Å; W137-I237 HydrophobicContact CH2-CD1 3.36Å; W137-I237 HydrophobicContact CH2-CG1 3.48Å; W137-I237 VanDerWaalsContact CH2-CG1 3.48Å; W137-I237 HydrophobicContact CZ2-CD1 4.33Å; W137-I237 HydrophobicContact CZ3-CD1 3.97Å; W137-I237 HydrophobicContact CZ3-CG1 3.71Å; P159-I237 HydrophobicContact CG-CG1 4.29Å; C166-I237 WeakPolarHBondContact O-CG2 3.41Å; I237-L243 HydrophobicContact CG2-CD1 3.99Å; I237-L249 HydrophobicContact CD1-CD1 3.19Å; I237-L249 HydrophobicContact CG1-CD1 3.86Å |
| 238 | L | 70.6 | Confident | 75.9 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | trans | -67.3 | 137.8 | 176.9 | -83.1 | 147.8 | 0 | 0 | 0 | 112.1 | H133 C166 Y168 H193 T240 V241 | H133-L238 PolarHBondContact CE1-O 2.76Å; H133-L238 PolarHBondContact ND1-O 3.28Å; C166-L238 PolarHBondContact O-N 2.95Å; Y168-L238 HydrophobicContact CD1-CD1 4.42Å; Y168-L238 HydrophobicContact CD1-CD2 4.2Å; Y168-L238 HydrophobicContact CD1-CG 3.93Å; Y168-L238 HydrophobicContact CE1-CD2 4.11Å; Y168-L238 HydrophobicContact CE1-CG 4.1Å; H193-L238 WeakPolarHBondContact NE2-CD1 3.42Å; L238-T240 PolarHBondContact O-N 3.33Å; L238-V241 HydrophobicContact CB-CG2 3.68Å; L238-V241 HydrophobicContact CD1-CG2 4.42Å; L238-V241 PolarHBondContact O-N 2.79Å | ||
| 239 | E | 66.3 | Low | 75.7 | Confident | 141 Ų | 141 | 44.7 Ų | 44.7 | 66% | 0.659 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.9 | 176.1 | -67.4 | -176.2 | 168.1 | 0 | 0 | 113.6 | H133 V241 | H133-E239 HydrophobicContact CB-CG 4.34Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 2.77Å |
| 240 | T | 64.4 | Low | 75.3 | Confident | 124 Ų | 124 | 50.4 Ų | 50.4 | 76% | 0.761 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -9.4 | -175.6 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | L238 | L238-T240 PolarHBondContact O-N 3.33Š|
| 241 | V | 69.3 | Low | 75 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | trans | -88.5 | 121.1 | -172.9 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | H133 C166 L238 E239 L243 | H133-V241 PolarHBondContact CE1-O 2.87Å; H133-V241 PolarHBondContact NE2-O 2.88Å; H133-V241 VanDerWaalsContact NE2-O 3.14Å; C166-V241 HydrophobicContact CB-CG1 4.01Å; L238-V241 HydrophobicContact CB-CG2 3.68Å; L238-V241 HydrophobicContact CD1-CG2 4.42Å; L238-V241 PolarHBondContact O-N 2.79Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 2.77Å; V241-L243 HydrophobicContact CG1-CD2 4.21Å; V241-L243 HydrophobicContact CG1-CG 4.01Å; V241-L243 PolarHBondContact O-N 3.04Å; V241-L243 VanDerWaalsContact O-N 3.13Å | ||
| 242 | S | 73.2 | Confident | 74.5 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 86% | 0.86 | 27% | 0.265 | S | S | * | . | trans | -79.5 | 95 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 243 | L | 77.5 | Confident | 74.5 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -98 | 140.5 | 174.9 | -67.7 | 169.7 | 0 | 0 | 0 | 111.9 | H161 I237 V241 A247 L249 Y270 | H161-L243 HydrophobicContact CB-CD2 4.03Å; I237-L243 HydrophobicContact CG2-CD1 3.99Å; V241-L243 HydrophobicContact CG1-CD2 4.21Å; V241-L243 HydrophobicContact CG1-CG 4.01Å; V241-L243 PolarHBondContact O-N 3.04Å; V241-L243 VanDerWaalsContact O-N 3.13Å; L243-A247 HydrophobicContact CB-CB 4.37Å; L243-A247 HydrophobicContact CD2-CB 4.25Å; L243-L249 HydrophobicContact CD1-CD1 3.94Å; L243-L249 HydrophobicContact CD1-CD2 4.12Å; L243-L249 HydrophobicContact CD1-CG 4.48Å; L243-L249 HydrophobicContact CD2-CD2 4.07Å; L243-Y270 HydrophobicContact CB-CD1 3.59Å; L243-Y270 HydrophobicContact CB-CD2 4.14Å; L243-Y270 HydrophobicContact CB-CE1 3.8Å; L243-Y270 HydrophobicContact CB-CE2 4.36Å; L243-Y270 HydrophobicContact CB-CG 3.75Å; L243-Y270 HydrophobicContact CD1-CD2 3.76Å; L243-Y270 HydrophobicContact CD1-CE2 4.32Å; L243-Y270 HydrophobicContact CD1-CG 3.92Å; L243-Y270 HydrophobicContact CG-CG 4.49Å; L243-Y270 WeakPolarHBondContact O-CE1 3.38Å |
| 244 | S | 77.7 | Confident | 74.5 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 145.4 | 171.9 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | N246 A247 Y270 | S244-N246 PolarHBondContact O-N 2.73Å; S244-A247 WeakPolarHBondContact O-CB 3.37Å; S244-A247 PolarHBondContact O-N 2.78Å; S244-Y270 VanDerWaalsContact O-CD1 3.27Å; S244-Y270 WeakPolarHBondContact O-CD1 3.48Å |
| 245 | Y | 73.7 | Confident | 74.6 | Confident | 153 Ų | 153 | 48.1 Ų | 48.1 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.9 | 174 | 178.4 | -104.7 | 0 | 0 | 0 | 110.6 | K272 | Y245-K272 HydrophobicContact CD2-CB 4.35Š|
| 246 | N | 74.1 | Confident | 74.4 | Confident | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 15.5 | -171.3 | -63.8 | -16.5 | 0 | 0 | 0 | 117.1 | S244 T248 I269 Y270 | S244-N246 PolarHBondContact O-N 2.73Å; N246-T248 PolarHBondContact O-N 3.31Å; N246-I269 HydrophobicContact CB-CG2 4.03Å; N246-Y270 VanDerWaalsContact CA-O 3.27Å; N246-Y270 WeakPolarHBondContact CA-O 3.44Å; N246-Y270 PolarHBondContact N-O 2.97Å |
| 247 | A | 79.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | trans | -57.3 | 124.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | L243 S244 L249 Y270 | L243-A247 HydrophobicContact CB-CB 4.37Å; L243-A247 HydrophobicContact CD2-CB 4.25Å; S244-A247 WeakPolarHBondContact O-CB 3.37Å; S244-A247 PolarHBondContact O-N 2.78Å; A247-L249 PolarHBondContact O-N 2.99Å; A247-Y270 PolarHBondContact O-N 2.92Å | ||
| 248 | T | 77.7 | Confident | 73.4 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.8 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | H161 N246 R267 L268 | H161-T248 PolarHBondContact CD2-O 3.28Å; N246-T248 PolarHBondContact O-N 3.31Å; T248-R267 HydrophobicContact CG2-CG 3.61Å; T248-L268 CarbonylContact C-O 3.45Å; T248-L268 WeakPolarHBondContact CA-O 3.23Å |
| 249 | L | 77.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.5 | 175.7 | -60.5 | 168 | 0 | 0 | 0 | 110.1 | V131 R160 H161 C166 I237 L243 A247 L268 | V131-L249 HydrophobicContact CG2-CD1 3.95Å; R160-L249 WeakPolarHBondContact O-CA 3.43Å; H161-L249 HydrophobicContact CB-CD2 3.67Å; C166-L249 HydrophobicContact CB-CD2 4Å; I237-L249 HydrophobicContact CD1-CD1 3.19Å; I237-L249 HydrophobicContact CG1-CD1 3.86Å; L243-L249 HydrophobicContact CD1-CD1 3.94Å; L243-L249 HydrophobicContact CD1-CD2 4.12Å; L243-L249 HydrophobicContact CD1-CG 4.48Å; L243-L249 HydrophobicContact CD2-CD2 4.07Å; A247-L249 PolarHBondContact O-N 2.99Å; L249-L268 HydrophobicContact CB-CB 4.18Å; L249-L268 PolarHBondContact N-O 2.8Å; L249-L268 PolarHBondContact O-N 2.97Å |
| 250 | K | 74.7 | Confident | 72.4 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.7 | 174 | -67.1 | -179.5 | -177.1 | 178 | 0 | 108.9 | P159 R160 L265 L266 | P159-K250 WeakPolarHBondContact CA-O 3.42Å; R160-K250 PolarHBondContact N-O 3.07Å; R160-K250 PolarHBondContact O-N 3.14Å; K250-L265 HydrophobicContact CB-CD2 4.29Å; K250-L266 WeakPolarHBondContact CA-O 3.48Å |
| 251 | A | 75.4 | Confident | 72 | Confident | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 156.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P159 V235 L265 L266 | P159-A251 HydrophobicContact CB-CB 4.18Å; V235-A251 HydrophobicContact CG1-CB 3.79Å; V235-A251 HydrophobicContact CG2-CB 4.41Å; A251-L265 CarbonylContact O-C 3.54Å; A251-L265 WeakPolarHBondContact O-CA 3.48Å; A251-L266 PolarHBondContact N-O 2.93Å; A251-L266 VanDerWaalsContact N-O 3.08Å; A251-L266 PolarHBondContact O-N 3.29Å |
| 252 | G | 72.9 | Confident | 71.4 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 172.8 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | L157 G264 | L157-G252 PolarHBondContact N-O 3.04Å; G252-G264 CarbonylContact C-O 3.57Å; G252-G264 WeakPolarHBondContact CA-O 3.47Å |
| 253 | I | 79.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.9 | 170.7 | -168.2 | 165 | 0 | 0 | 0 | 108.2 | L118 L120 A141 I154 E155 L156 G264 | L118-I253 HydrophobicContact CD1-CD1 4.35Å; L118-I253 HydrophobicContact CD1-CG2 4.13Å; L118-I253 HydrophobicContact CD2-CG2 3.44Å; L118-I253 VanDerWaalsContact CD2-CG2 3.44Å; L118-I253 HydrophobicContact CG-CG2 4.3Å; L120-I253 HydrophobicContact CD1-CG2 3.88Å; L120-I253 HydrophobicContact CD2-CB 4.45Å; L120-I253 HydrophobicContact CD2-CG2 3.83Å; L120-I253 HydrophobicContact CG-CG2 4.1Å; A141-I253 HydrophobicContact CB-CD1 3.63Å; I154-I253 HydrophobicContact CG2-CD1 3.57Å; I154-I253 HydrophobicContact CG2-CG1 3.61Å; E155-I253 CarbonylContact O-C 3.57Å; E155-I253 VanDerWaalsContact O-CA 3.27Å; E155-I253 WeakPolarHBondContact O-CA 3.39Å; L156-I253 HydrophobicContact CD2-CB 4.17Å; L156-I253 HydrophobicContact CD2-CD1 3.63Å; L156-I253 HydrophobicContact CD2-CG1 3.69Å; I253-G264 PolarHBondContact N-O 3.45Å; I253-G264 PolarHBondContact O-N 3.03Å |
| 254 | L | 77.9 | Confident | 70 | Confident | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.7 | 165.7 | -163.2 | 78 | 0 | 0 | 0 | 107 | I154 E155 V261 W262 V263 | I154-L254 CarbonylContact C-O 3.57Å; I154-L254 VanDerWaalsContact CA-O 3.28Å; I154-L254 WeakPolarHBondContact CA-O 3.34Å; E155-L254 HydrophobicContact CB-CB 3.97Å; E155-L254 HydrophobicContact CG-CB 4.48Å; E155-L254 HydrophobicContact CG-CD2 4.46Å; E155-L254 PolarHBondContact N-O 3.27Å; E155-L254 PolarHBondContact O-N 3.37Å; L254-V261 HydrophobicContact CD1-CG1 3.41Å; L254-V261 VanDerWaalsContact CD1-CG1 3.41Å; L254-V261 HydrophobicContact CD2-CG1 4.36Å; L254-V261 HydrophobicContact CG-CG1 3.85Å; L254-W262 WeakPolarHBondContact CA-O 3.38Å; L254-V263 HydrophobicContact CD1-CG2 3.81Å |
| 255 | L | 77.5 | Confident | 69.4 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 103.1 | 171.4 | 176 | 72 | 0 | 0 | 0 | 107.7 | I116 L118 I143 L152 I154 V261 W262 | I116-L255 HydrophobicContact CG2-CD2 3.94Å; L118-L255 HydrophobicContact CB-CD2 4.33Å; L118-L255 HydrophobicContact CD2-CB 4.4Å; I143-L255 HydrophobicContact CD1-CD1 4.19Å; I143-L255 HydrophobicContact CG2-CD2 3.73Å; L152-L255 HydrophobicContact CD2-CD1 3.72Å; L152-L255 HydrophobicContact CD2-CG 4.5Å; I154-L255 HydrophobicContact CD1-CD1 3.96Å; I154-L255 HydrophobicContact CG1-CD1 3.65Å; L255-V261 WeakPolarHBondContact O-CA 3.25Å; L255-W262 HydrophobicContact CB-CB 4.18Å; L255-W262 PolarHBondContact N-O 3.18Å; L255-W262 PolarHBondContact O-N 2.68Å |
| 256 | E | 73 | Confident | 69.3 | Low | 84 Ų | 84 | 59.3 Ų | 59.3 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.4 | 177.4 | 174.1 | 177.9 | -143.3 | 0 | 0 | 109.7 | H153 V261 | H153-E256 HydrophobicContact CB-CB 4.05Å; H153-E256 PolarHBondContact N-O 2.78Å; H153-E256 IonicContact ND1-OE2 2.66Å; H153-E256 PolarHBondContact O-N 3.39Å; E256-V261 HydrophobicContact CB-CG2 4.26Å; E256-V261 HydrophobicContact CG-CG2 4.06Å |
| 257 | T | 68.4 | Low | 69 | Low | 23 Ų | 23 | 63.7 Ų | 63.7 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | trans | -120.2 | 174.1 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 107.7 | I116 L152 D259 L260 | I116-T257 HydrophobicContact CD1-CG2 3.77Å; L152-T257 HydrophobicContact CD2-CG2 3.65Å; T257-D259 PolarHBondContact O-N 3.25Å; T257-L260 PolarHBondContact N-O 2.84Å; T257-L260 PolarHBondContact OG1-N 3.17Å; T257-L260 PolarHBondContact OG1-O 3.16Å | ||
| 258 | K | 62.8 | Low | 68.7 | Low | 177 Ų | 177 | 63.6 Ų | 63.6 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -50.7 | -34.9 | -178.1 | -81.7 | -174.8 | 176.5 | 178 | 0 | 114.3 | ||
| 259 | D | 55.7 | Low | 68.5 | Low | 152 Ų | 152 | 62.9 Ų | 62.9 | 81% | 0.813 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -121.4 | -11.1 | -170.5 | -54.4 | -41.2 | 0 | 0 | 0 | 114.4 | T257 | T257-D259 PolarHBondContact O-N 3.25Š|
| 260 | L | 58.9 | Low | 68.5 | Low | 99 Ų | 99 | 63.9 Ų | 63.9 | 52% | 0.518 | 31% | 0.312 | S | S | . | . | trans | -140.8 | 133.4 | -171.4 | -76.5 | 156.4 | 0 | 0 | 0 | 111.6 | T257 | T257-L260 PolarHBondContact N-O 2.84Å; T257-L260 PolarHBondContact OG1-N 3.17Å; T257-L260 PolarHBondContact OG1-O 3.16Å | ||
| 261 | V | 56.5 | Low | 68.4 | Low | 80 Ų | 80 | 58.3 Ų | 58.3 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 111.4 | 169.2 | -178 | 0 | 0 | 0 | 0 | 108.6 | L254 L255 E256 | L254-V261 HydrophobicContact CD1-CG1 3.41Å; L254-V261 VanDerWaalsContact CD1-CG1 3.41Å; L254-V261 HydrophobicContact CD2-CG1 4.36Å; L254-V261 HydrophobicContact CG-CG1 3.85Å; L255-V261 WeakPolarHBondContact O-CA 3.25Å; E256-V261 HydrophobicContact CB-CG2 4.26Å; E256-V261 HydrophobicContact CG-CG2 4.06Å |
| 262 | W | 56.2 | Low | 68 | Low | 100 Ų | 100 | 66.3 Ų | 66.3 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.9 | 174 | -67.3 | 80.2 | 0 | 0 | 0 | 109.5 | L118 L254 L255 | L118-W262 HydrophobicContact CD2-CB 4.25Å; L254-W262 WeakPolarHBondContact CA-O 3.38Å; L255-W262 HydrophobicContact CB-CB 4.18Å; L255-W262 PolarHBondContact N-O 3.18Å; L255-W262 PolarHBondContact O-N 2.68Å |
| 263 | V | 58.9 | Low | 67.3 | Low | 89 Ų | 89 | 71.4 Ų | 71.4 | 54% | 0.539 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 106.4 | 173.4 | -164.6 | 0 | 0 | 0 | 0 | 108.6 | L254 L265 | L254-V263 HydrophobicContact CD1-CG2 3.81Å; V263-L265 HydrophobicContact CG1-CD1 4.28Å; V263-L265 HydrophobicContact CG1-CD2 4.19Å; V263-L265 HydrophobicContact CG1-CG 3.84Å |
| 264 | G | 63.6 | Low | 66.3 | Low | 12 Ų | 12 | 74.1 Ų | 74.1 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L120 G252 I253 | L120-G264 VanDerWaalsContact CD1-CA 3.48Å; G252-G264 CarbonylContact C-O 3.57Å; G252-G264 WeakPolarHBondContact CA-O 3.47Å; I253-G264 PolarHBondContact N-O 3.45Å; I253-G264 PolarHBondContact O-N 3.03Å |
| 265 | L | 64.6 | Low | 65.2 | Low | 107 Ų | 107 | 75.2 Ų | 75.2 | 56% | 0.56 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.7 | 177.9 | -72.1 | 166.7 | 0 | 0 | 0 | 111.1 | K250 A251 V263 | K250-L265 HydrophobicContact CB-CD2 4.29Å; A251-L265 CarbonylContact O-C 3.54Å; A251-L265 WeakPolarHBondContact O-CA 3.48Å; V263-L265 HydrophobicContact CG1-CD1 4.28Å; V263-L265 HydrophobicContact CG1-CD2 4.19Å; V263-L265 HydrophobicContact CG1-CG 3.84Å |
| 266 | L | 70.6 | Confident | 64.1 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 14% | 0.136 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.3 | 162 | -80.5 | 121.7 | 0 | 0 | 0 | 109.3 | L120 R122 V139 K250 A251 | L120-L266 HydrophobicContact CD1-CD1 4.08Å; R122-L266 HydrophobicContact CB-CD2 4.33Å; V139-L266 HydrophobicContact CB-CD1 4.47Å; V139-L266 HydrophobicContact CG1-CD1 3.74Å; V139-L266 HydrophobicContact CG2-CD1 3.85Å; V139-L266 HydrophobicContact CG2-CD2 4.42Å; K250-L266 WeakPolarHBondContact CA-O 3.48Å; A251-L266 PolarHBondContact N-O 2.93Å; A251-L266 VanDerWaalsContact N-O 3.08Å; A251-L266 PolarHBondContact O-N 3.29Å |
| 267 | R | 69.4 | Low | 63.4 | Low | 173 Ų | 173 | 77.6 Ų | 77.6 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.6 | 170.7 | -169.3 | -179.8 | -177.5 | 179.6 | 0.5 | 109.3 | T248 | T248-R267 HydrophobicContact CG2-CG 3.61Å |
| 268 | L | 71 | Confident | 63.3 | Low | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.2 | -178.7 | -54.4 | 167.8 | 0 | 0 | 0 | 108.9 | V131 W137 T248 L249 | V131-L268 HydrophobicContact CB-CB 4.4Å; V131-L268 HydrophobicContact CG1-CB 3.8Å; V131-L268 HydrophobicContact CG1-CD1 4.23Å; V131-L268 HydrophobicContact CG1-CD2 3.77Å; V131-L268 HydrophobicContact CG1-CG 4.13Å; V131-L268 HydrophobicContact CG2-CB 3.69Å; W137-L268 HydrophobicContact CE3-CD1 4.07Å; W137-L268 HydrophobicContact CZ3-CD1 4.28Å; T248-L268 CarbonylContact C-O 3.45Å; T248-L268 WeakPolarHBondContact CA-O 3.23Å; L249-L268 HydrophobicContact CB-CB 4.18Å; L249-L268 PolarHBondContact N-O 2.8Å; L249-L268 PolarHBondContact O-N 2.97Å |
| 269 | I | 74.4 | Confident | 63.9 | Low | 30 Ų | 30 | 72.7 Ų | 72.7 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118 | -179.1 | -61.4 | 178.5 | 0 | 0 | 0 | 108.3 | E129 N130 V131 N246 S271 | E129-I269 HydrophobicContact CB-CD1 4.12Å; E129-I269 HydrophobicContact CB-CG1 4.37Å; E129-I269 PolarHBondContact O-N 2.79Å; E129-I269 WeakPolarHBondContact OE2-CD1 3.11Å; N130-I269 CarbonylContact C-O 3.58Å; N130-I269 WeakPolarHBondContact CA-O 3.22Å; V131-I269 VanDerWaalsContact CG2-O 3.31Å; V131-I269 WeakPolarHBondContact CG2-O 2.92Å; V131-I269 PolarHBondContact N-O 3.46Å; N246-I269 HydrophobicContact CB-CG2 4.03Å; I269-S271 PolarHBondContact O-N 3.45Å |
| 270 | Y | 77.4 | Confident | 65.1 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.8 | 179 | 175.4 | -102.2 | 0 | 0 | 0 | 111.7 | V131 H133 L243 S244 N246 A247 | V131-Y270 CarbonylContact O-C 3.58Å; V131-Y270 WeakPolarHBondContact O-CA 3.41Å; H133-Y270 AromaticContact CD2-CE2 3.46Å; H133-Y270 VanDerWaalsContact CD2-CE2 3.46Å; H133-Y270 WeakPolarHBondContact CD2-CE2 3.39Å; H133-Y270 AromaticContact CD2-CZ 3.59Å; H133-Y270 PolarHBondContact CD2-OH 2.9Å; H133-Y270 AromaticContact CE1-CE2 3.89Å; H133-Y270 AromaticContact NE2-CE2 3.32Å; H133-Y270 VanDerWaalsContact NE2-CE2 3.32Å; H133-Y270 WeakPolarHBondContact NE2-CE2 3.48Å; H133-Y270 AromaticContact NE2-CZ 3.34Å; H133-Y270 VanDerWaalsContact NE2-CZ 3.34Å; H133-Y270 PolarHBondContact NE2-OH 2.92Å; H133-Y270 VanDerWaalsContact NE2-OH 3.07Å; L243-Y270 HydrophobicContact CB-CD1 3.59Å; L243-Y270 HydrophobicContact CB-CD2 4.14Å; L243-Y270 HydrophobicContact CB-CE1 3.8Å; L243-Y270 HydrophobicContact CB-CE2 4.36Å; L243-Y270 HydrophobicContact CB-CG 3.75Å; L243-Y270 HydrophobicContact CD1-CD2 3.76Å; L243-Y270 HydrophobicContact CD1-CE2 4.32Å; L243-Y270 HydrophobicContact CD1-CG 3.92Å; L243-Y270 HydrophobicContact CG-CG 4.49Å; L243-Y270 WeakPolarHBondContact O-CE1 3.38Å; S244-Y270 VanDerWaalsContact O-CD1 3.27Å; S244-Y270 WeakPolarHBondContact O-CD1 3.48Å; N246-Y270 VanDerWaalsContact CA-O 3.27Å; N246-Y270 WeakPolarHBondContact CA-O 3.44Å; N246-Y270 PolarHBondContact N-O 2.97Å; A247-Y270 PolarHBondContact O-N 2.92Å |
| 271 | S | 71.3 | Confident | 66.3 | Low | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | trans | -115.3 | 144.3 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | V131 C132 I269 T273 | V131-S271 PolarHBondContact O-N 2.84Å; C132-S271 PolarHBondContact SG-O 2.93Å; I269-S271 PolarHBondContact O-N 3.45Å; S271-T273 VanDerWaalsContact C-N 3.28Å; S271-T273 PolarHBondContact OG-N 2.85Å; S271-T273 VanDerWaalsContact OG-N 3.16Å; S271-T273 PolarHBondContact OG-O 2.94Å; S271-T273 PolarHBondContact OG-OG1 2.97Å | ||
| 272 | K | 67.2 | Low | 67.7 | Low | 170 Ų | 170 | 64.1 Ų | 64.1 | 74% | 0.739 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -76.1 | -20.4 | 174.6 | -150.2 | 178.6 | -175.8 | -179.1 | 0 | 112.1 | Y245 | Y245-K272 HydrophobicContact CD2-CB 4.35Š|
| 273 | T | 58.9 | Low | 69 | Low | 109 Ų | 109 | 61.1 Ų | 61.1 | 67% | 0.669 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -113.6 | 124.2 | -178.9 | 46 | 0 | 0 | 0 | 0 | 110.5 | S271 | S271-T273 VanDerWaalsContact C-N 3.28Å; S271-T273 PolarHBondContact OG-N 2.85Å; S271-T273 VanDerWaalsContact OG-N 3.16Å; S271-T273 PolarHBondContact OG-O 2.94Å; S271-T273 PolarHBondContact OG-OG1 2.97Å |
| 274 | C | 58.2 | Low | 70.3 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | trans | -96.8 | 136.9 | -173.7 | -40.4 | 0 | 0 | 0 | 0 | 110.2 | C132 T276 | C132-C274 HydrophobicContact CB-CB 3.62Å; C132-C274 WeakPolarHBondContact CB-SG 3.33Å; C132-C274 WeakPolarHBondContact SG-CA 3.17Å; C132-C274 WeakPolarHBondContact SG-CB 3.31Å; C132-C274 PolarHBondContact SG-N 3.29Å; C132-C274 CovalentContact SG-SG 2.03Å; C132-C274 PolarHBondContact SG-SG 2.96Å; C274-T276 PolarHBondContact O-N 3.08Å | ||
| 275 | P | 54.5 | Low | 71.4 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | trans | -66.2 | 103.7 | 170.8 | 25.6 | -29.3 | 0 | 0 | 0 | 108.6 | ||||
| 276 | T | 54.3 | Low | 72.5 | Confident | 91 Ų | 91 | 62 Ų | 62 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 127.4 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | C274 R412 | C274-T276 PolarHBondContact O-N 3.08Å; T276-R412 VanDerWaalsContact CB-NH2 3.3Å; T276-R412 VanDerWaalsContact CG2-NH2 3.33Å |
| 277 | L | 58.6 | Low | 73 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 137.7 | 165.8 | -74.2 | 169.3 | 0 | 0 | 0 | 108 | I125 F303 P305 Y376 R412 | I125-L277 HydrophobicContact CD1-CD1 4.47Å; L277-F303 HydrophobicContact CB-CE1 4.45Å; L277-F303 HydrophobicContact CD1-CE1 4.26Å; L277-F303 HydrophobicContact CD1-CZ 4.33Å; L277-P305 HydrophobicContact CB-CB 3.81Å; L277-P305 HydrophobicContact CB-CG 3.46Å; L277-P305 VanDerWaalsContact CB-CG 3.46Å; L277-P305 HydrophobicContact CD1-CB 4.08Å; L277-P305 WeakPolarHBondContact O-CG 3.38Å; L277-Y376 HydrophobicContact CD1-CD1 4.08Å; L277-Y376 HydrophobicContact CD1-CE1 3.64Å; L277-Y376 HydrophobicContact CD2-CE1 4.44Å; L277-Y376 HydrophobicContact CG-CE1 4.04Å; L277-R412 PolarHBondContact O-NH1 2.76Å |
| 278 | P | 67.1 | Low | 73.2 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 51% | 0.506 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.7 | 176.9 | 27.7 | -33.1 | 0 | 0 | 0 | 109.4 | E280 | P278-E280 PolarHBondContact O-N 3.01Š|
| 279 | I | 73.7 | Confident | 73.3 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 129.4 | 165.7 | -57 | 172.4 | 0 | 0 | 0 | 106 | V302 F303 L304 I306 Y311 A409 I415 | I279-V302 HydrophobicContact CG2-CG1 4.1Å; I279-F303 WeakPolarHBondContact CG2-O 3.43Å; I279-L304 HydrophobicContact CD1-CD2 4.4Å; I279-L304 HydrophobicContact CG1-CD2 4.44Å; I279-L304 HydrophobicContact CG2-CD2 3.71Å; I279-I306 HydrophobicContact CD1-CD1 3.94Å; I279-I306 HydrophobicContact CG1-CD1 4.12Å; I279-Y311 HydrophobicContact CD1-CE1 4.12Å; I279-A409 HydrophobicContact CD1-CB 3.89Å; I279-I415 HydrophobicContact CB-CD1 3.9Å; I279-I415 HydrophobicContact CG2-CD1 3.34Å |
| 280 | E | 81.9 | Confident | 73.4 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.3 | 177.6 | -62.7 | 178.2 | -164.3 | 0 | 0 | 109.9 | P278 V302 F303 R380 | P278-E280 PolarHBondContact O-N 3.01Å; E280-V302 CarbonylContact O-C 3.59Å; E280-V302 WeakPolarHBondContact O-CA 3.09Å; E280-F303 HydrophobicContact CB-CB 4.19Å; E280-F303 PolarHBondContact N-O 2.94Å; E280-F303 PolarHBondContact O-N 3.06Å; E280-R380 IonicContact OE2-CZ 3.22Å; E280-R380 IonicContact OE2-NH1 3.62Å; E280-R380 PolarHBondContact OE2-NH1 3.3Å; E280-R380 IonicContact OE2-NH2 2.92Å; E280-R380 PolarHBondContact OE2-NH2 3.06Å |
| 281 | L | 83.5 | Confident | 73.1 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.5 | 173.5 | 169.9 | 70.4 | 0 | 0 | 0 | 107.5 | A300 V302 L387 F405 V407 I415 K417 | L281-A300 HydrophobicContact CD1-CB 3.91Å; L281-V302 HydrophobicContact CD1-CG2 3.79Å; L281-L387 HydrophobicContact CD1-CD1 4.5Å; L281-F405 HydrophobicContact CD1-CB 4.01Å; L281-F405 HydrophobicContact CD2-CB 4.02Å; L281-F405 VanDerWaalsContact CD2-O 3.26Å; L281-F405 WeakPolarHBondContact CD2-O 3.33Å; L281-V407 HydrophobicContact CD1-CG2 4.37Å; L281-I415 HydrophobicContact CB-CD1 3.79Å; L281-I415 HydrophobicContact CB-CG1 4.3Å; L281-K417 HydrophobicContact CD2-CB 4.01Å; L281-K417 HydrophobicContact CD2-CG 4.24Å; L281-K417 HydrophobicContact CG-CB 4.17Å; L281-K417 HydrophobicContact CG-CG 4.12Å; L281-K417 WeakPolarHBondContact O-CG 3.33Å |
| 282 | N | 85.7 | Confident | 73.1 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.1 | 175.8 | -73 | -35.8 | 0 | 0 | 0 | 109.9 | S284 A300 D301 | N282-S284 PolarHBondContact O-N 3.41Å; N282-A300 CarbonylContact O-C 3.41Å; N282-A300 WeakPolarHBondContact O-CA 3.49Å; N282-D301 PolarHBondContact N-O 2.85Å; N282-D301 VanDerWaalsContact N-O 3.08Å; N282-D301 PolarHBondContact O-N 3.24Å |
| 283 | I | 84.8 | Confident | 73.7 | Confident | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 112.5 | 174.5 | -58.3 | 177.9 | 0 | 0 | 0 | 107.4 | Y286 V298 T299 A300 F405 K417 E418 C419 | I283-Y286 HydrophobicContact CG2-CD1 3.71Å; I283-Y286 HydrophobicContact CG2-CE1 4.46Å; I283-Y286 HydrophobicContact CG2-CG 4.5Å; I283-V298 HydrophobicContact CG2-CG1 4.35Å; I283-T299 CarbonylContact C-O 3.4Å; I283-T299 WeakPolarHBondContact CG2-O 3.09Å; I283-A300 HydrophobicContact CG1-CB 4.41Å; I283-F405 HydrophobicContact CD1-CD2 4.42Å; I283-F405 HydrophobicContact CG1-CD2 4.26Å; I283-K417 HydrophobicContact CD1-CB 4.08Å; I283-K417 HydrophobicContact CG1-CB 3.99Å; I283-E418 VanDerWaalsContact CD1-C 3.41Å; I283-C419 HydrophobicContact CD1-CB 3.6Å; I283-C419 HydrophobicContact CG2-CB 4.45Å |
| 284 | S | 86 | Confident | 74.9 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -33.8 | -173.4 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | N282 T299 D301 | N282-S284 PolarHBondContact O-N 3.41Å; S284-T299 PolarHBondContact N-O 3.09Å; S284-T299 WeakPolarHBondContact OG-CB 3.31Å; S284-T299 PolarHBondContact OG-O 3Å; S284-T299 PolarHBondContact OG-OG1 2.91Å; S284-D301 VanDerWaalsContact CB-CG 3.44Å; S284-D301 WeakPolarHBondContact CB-OD1 3.24Å; S284-D301 WeakPolarHBondContact CB-OD2 3.29Å; S284-D301 PolarHBondContact OG-OD1 3.02Å |
| 285 | S | 87.1 | Confident | 76.3 | Confident | 54 Ų | 54 | 55 Ų | 55 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 140.6 | 174.2 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | V298 T299 | S285-V298 WeakPolarHBondContact O-CA 3.41Å; S285-T299 WeakPolarHBondContact CB-OG1 3.34Å; S285-T299 PolarHBondContact N-O 3.02Å; S285-T299 PolarHBondContact N-OG1 3.14Å; S285-T299 VanDerWaalsContact N-OG1 3.14Å; S285-T299 PolarHBondContact O-N 2.88Å; S285-T299 PolarHBondContact OG-OG1 2.89Å |
| 286 | Y | 86.8 | Confident | 77.8 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | trans | -153.9 | 150.1 | 170 | 65 | -85.9 | 0 | 0 | 0 | 109 | I283 C419 I421 | I283-Y286 HydrophobicContact CG2-CD1 3.71Å; I283-Y286 HydrophobicContact CG2-CE1 4.46Å; I283-Y286 HydrophobicContact CG2-CG 4.5Å; Y286-C419 HydrophobicContact CD1-CB 4.02Å; Y286-C419 HydrophobicContact CD2-CB 4.14Å; Y286-C419 HydrophobicContact CE1-CB 4.23Å; Y286-C419 HydrophobicContact CE2-CB 4.35Å; Y286-C419 HydrophobicContact CG-CB 3.96Å; Y286-I421 HydrophobicContact CD2-CD1 4.44Å; Y286-I421 HydrophobicContact CD2-CG1 4.03Å | ||
| 287 | P | 81.2 | Confident | 79.5 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 20% | 0.195 | 26% | 0.263 | C | S | . | . | trans | -70.9 | 144.6 | -180 | 30.8 | -37.3 | 0 | 0 | 0 | 111.2 | K289 M290 T296 I421 | P287-K289 VanDerWaalsContact C-N 3.29Å; P287-K289 PolarHBondContact O-N 3.36Å; P287-M290 HydrophobicContact CB-CG 4.44Å; P287-M290 HydrophobicContact CG-CE 3.66Å; P287-M290 HydrophobicContact CG-CG 3.78Å; P287-M290 HydrophobicContact CG-SD 4.23Å; P287-T296 HydrophobicContact CG-CG2 3.87Å; P287-T296 WeakPolarHBondContact CG-OG1 3.22Å; P287-I421 HydrophobicContact CG-CD1 4.33Å; P287-I421 HydrophobicContact CG-CG2 4.22Å; P287-I421 WeakPolarHBondContact O-CG2 2.94Å | ||
| 288 | K | 74.2 | Confident | 81 | Confident | 162 Ų | 162 | 48.8 Ų | 48.8 | 70% | 0.704 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69.3 | -26.4 | 178.7 | -67.4 | -174.8 | 179.6 | 179.6 | 0 | 113.3 | P422 | K288-P422 VanDerWaalsContact O-CD 3.29Å; K288-P422 WeakPolarHBondContact O-CD 3.33Å; K288-P422 WeakPolarHBondContact O-CG 2.78Å |
| 289 | K | 72.5 | Confident | 82.2 | Confident | 145 Ų | 145 | 45.8 Ų | 45.8 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | trans | -151.8 | 150.2 | -179.7 | -61.4 | 178.7 | 176.9 | -176.9 | 0 | 108.5 | P287 P422 V424 | P287-K289 VanDerWaalsContact C-N 3.29Å; P287-K289 PolarHBondContact O-N 3.36Å; K289-P422 CarbonylContact C-O 3.5Å; K289-P422 WeakPolarHBondContact CA-O 3.27Å; K289-P422 HydrophobicContact CG-CG 4.15Å; K289-V424 HydrophobicContact CB-CG2 4.28Å; K289-V424 HydrophobicContact CD-CG2 4Å; K289-V424 HydrophobicContact CG-CG2 4.25Å | ||
| 290 | M | 75.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -126.8 | 162.6 | 171 | -70.2 | -160.4 | -134.2 | 0 | 0 | 111.4 | P287 T296 I393 I421 P422 I423 V424 | P287-M290 HydrophobicContact CB-CG 4.44Å; P287-M290 HydrophobicContact CG-CE 3.66Å; P287-M290 HydrophobicContact CG-CG 3.78Å; P287-M290 HydrophobicContact CG-SD 4.23Å; M290-T296 HydrophobicContact CE-CG2 3.21Å; M290-T296 HydrophobicContact SD-CG2 3.45Å; M290-T296 WeakPolarHBondContact SD-CG2 3.35Å; M290-I393 HydrophobicContact CB-CG1 4.1Å; M290-I393 HydrophobicContact CE-CD1 4.16Å; M290-I393 HydrophobicContact CG-CG1 4.46Å; M290-I393 HydrophobicContact SD-CD1 3.57Å; M290-I393 VanDerWaalsContact SD-CD1 3.57Å; M290-I393 HydrophobicContact SD-CG1 3.41Å; M290-I393 WeakPolarHBondContact SD-CG1 3.39Å; M290-I421 HydrophobicContact CB-CG2 4.43Å; M290-I421 HydrophobicContact CE-CB 4.08Å; M290-I421 HydrophobicContact CE-CD1 3.3Å; M290-I421 HydrophobicContact CE-CG1 4.24Å; M290-I421 HydrophobicContact CE-CG2 3.66Å; M290-I421 HydrophobicContact CG-CG2 3.76Å; M290-I421 HydrophobicContact SD-CG2 4.48Å; M290-P422 PolarHBondContact N-O 3.25Å; M290-I423 HydrophobicContact CB-CG1 4.48Å; M290-I423 CarbonylContact O-C 3.58Å; M290-I423 VanDerWaalsContact O-CA 3.29Å; M290-I423 WeakPolarHBondContact O-CA 3.19Å; M290-V424 PolarHBondContact O-N 2.94Å |
| 291 | I | 72.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | trans | -110.3 | 156.8 | 169.8 | 68.2 | 177.7 | 0 | 0 | 0 | 109.9 | D294 V424 L525 | I291-D294 HydrophobicContact CG1-CB 3.7Å; I291-D294 WeakPolarHBondContact O-CB 3.46Å; I291-D294 PolarHBondContact O-N 3.1Å; I291-V424 WeakPolarHBondContact CG2-O 3.2Å; I291-L525 HydrophobicContact CD1-CB 4.19Å; I291-L525 HydrophobicContact CD1-CD1 4.21Å; I291-L525 HydrophobicContact CD1-CD2 4.14Å; I291-L525 HydrophobicContact CD1-CG 4.42Å | ||
| 292 | P | 72 | Confident | 83.9 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 145.6 | 174.6 | -26.4 | 35.6 | 0 | 0 | 0 | 111.9 | D294 P397 I423 | P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.14Å; P292-P397 HydrophobicContact CB-CG 4.14Å; P292-P397 HydrophobicContact CG-CG 4.18Å; P292-I423 HydrophobicContact CG-CG2 4.04Å |
| 293 | T | 80 | Confident | 83.8 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -7.9 | -176.6 | 74.2 | 0 | 0 | 0 | 0 | 116.9 | I393 L394 N395 T467 Y522 G524 | T293-I393 WeakPolarHBondContact CA-O 3.32Å; T293-I393 PolarHBondContact N-O 3.23Å; T293-L394 PolarHBondContact N-O 2.94Å; T293-L394 VanDerWaalsContact N-O 3.1Å; T293-N395 HydrophobicContact CG2-CB 3.87Å; T293-T467 WeakPolarHBondContact OG1-CG2 3.32Å; T293-Y522 HydrophobicContact CG2-CD1 3.43Å; T293-Y522 VanDerWaalsContact CG2-CD1 3.43Å; T293-Y522 HydrophobicContact CG2-CE1 4.02Å; T293-Y522 HydrophobicContact CG2-CG 3.93Å; T293-G524 WeakPolarHBondContact O-CA 3.49Å |
| 294 | D | 83.4 | Confident | 83.7 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | trans | -66.5 | 154.3 | -175.9 | -158.1 | 8.5 | 0 | 0 | 0 | 112.7 | I291 P292 Q392 I393 L525 | I291-D294 HydrophobicContact CG1-CB 3.7Å; I291-D294 WeakPolarHBondContact O-CB 3.46Å; I291-D294 PolarHBondContact O-N 3.1Å; P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.14Å; D294-Q392 WeakPolarHBondContact O-CA 3.33Å; D294-I393 PolarHBondContact O-N 2.97Å; D294-L525 VanDerWaalsContact OD1-CB 3.32Å; D294-L525 WeakPolarHBondContact OD1-CB 3.14Å | ||
| 295 | I | 87.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.7 | 177 | -61 | 163.1 | 0 | 0 | 0 | 107.8 | I391 Q392 Q496 R497 M501 L503 L523 | I295-I391 WeakPolarHBondContact CA-O 3.27Å; I295-Q392 HydrophobicContact CG1-CB 3.97Å; I295-Q392 HydrophobicContact CG1-CG 3.69Å; I295-Q496 WeakPolarHBondContact CG2-O 3.17Å; I295-R497 HydrophobicContact CD1-CG 4.15Å; I295-R497 HydrophobicContact CG2-CG 4.45Å; I295-M501 HydrophobicContact CB-CE 4.42Å; I295-M501 HydrophobicContact CD1-CE 3.52Å; I295-M501 HydrophobicContact CG1-CE 3.84Å; I295-M501 HydrophobicContact CG2-CE 3.68Å; I295-M501 HydrophobicContact CG2-SD 4.29Å; I295-L503 HydrophobicContact CD1-CD2 4Å; I295-L523 WeakPolarHBondContact CD1-O 3.47Å |
| 296 | T | 86.6 | Confident | 82.3 | Confident | 19 Ų | 19 | 36 Ų | 36 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 165.4 | 175.6 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | P287 M290 V298 I391 | P287-T296 HydrophobicContact CG-CG2 3.87Å; P287-T296 WeakPolarHBondContact CG-OG1 3.22Å; M290-T296 HydrophobicContact CE-CG2 3.21Å; M290-T296 HydrophobicContact SD-CG2 3.45Å; M290-T296 WeakPolarHBondContact SD-CG2 3.35Å; T296-V298 HydrophobicContact CG2-CG2 4.11Å; T296-I391 HydrophobicContact CG2-CB 4.15Å; T296-I391 PolarHBondContact N-O 3.36Å; T296-I391 PolarHBondContact O-N 2.76Å |
| 297 | I | 89.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 33.2 Ų | 33.2 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.3 | 166.3 | -53.7 | 178 | 0 | 0 | 0 | 108.1 | T299 V388 A389 Y390 | I297-T299 HydrophobicContact CG2-CG2 3.79Å; I297-V388 HydrophobicContact CG2-CG1 3.49Å; I297-V388 VanDerWaalsContact CG2-CG1 3.49Å; I297-A389 WeakPolarHBondContact CA-O 3.48Å; I297-Y390 HydrophobicContact CD1-CD1 4.42Å; I297-Y390 HydrophobicContact CD1-CE1 3.64Å; I297-Y390 HydrophobicContact CG1-CD1 3.89Å; I297-Y390 HydrophobicContact CG1-CE1 3.61Å |
| 298 | V | 90.7 | Very high | 81 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.5 | 167.7 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | I283 S285 T296 A389 I391 I403 F405 I421 | I283-V298 HydrophobicContact CG2-CG1 4.35Å; S285-V298 WeakPolarHBondContact O-CA 3.41Å; T296-V298 HydrophobicContact CG2-CG2 4.11Å; V298-A389 PolarHBondContact N-O 3.39Å; V298-A389 PolarHBondContact O-N 3.32Å; V298-I391 HydrophobicContact CB-CG1 4.38Å; V298-I391 HydrophobicContact CG2-CG1 3.84Å; V298-I403 HydrophobicContact CG1-CG2 4.47Å; V298-F405 HydrophobicContact CB-CE2 4.37Å; V298-F405 HydrophobicContact CB-CZ 4.28Å; V298-F405 HydrophobicContact CG1-CE2 3.59Å; V298-F405 HydrophobicContact CG1-CZ 3.95Å; V298-I421 HydrophobicContact CG2-CD1 4.15Å |
| 299 | T | 92.2 | Very high | 81.3 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.3 | -178.1 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | I283 S284 S285 I297 L387 V388 | I283-T299 CarbonylContact C-O 3.4Å; I283-T299 WeakPolarHBondContact CG2-O 3.09Å; S284-T299 PolarHBondContact N-O 3.09Å; S284-T299 WeakPolarHBondContact OG-CB 3.31Å; S284-T299 PolarHBondContact OG-O 3Å; S284-T299 PolarHBondContact OG-OG1 2.91Å; S285-T299 WeakPolarHBondContact CB-OG1 3.34Å; S285-T299 PolarHBondContact N-O 3.02Å; S285-T299 PolarHBondContact N-OG1 3.14Å; S285-T299 VanDerWaalsContact N-OG1 3.14Å; S285-T299 PolarHBondContact O-N 2.88Å; S285-T299 PolarHBondContact OG-OG1 2.89Å; I297-T299 HydrophobicContact CG2-CG2 3.79Å; T299-L387 CarbonylContact C-O 3.54Å; T299-L387 VanDerWaalsContact CA-O 3.23Å; T299-L387 WeakPolarHBondContact CA-O 3.45Å; T299-V388 HydrophobicContact CG2-CG1 4.33Å; T299-V388 HydrophobicContact CG2-CG2 4.2Å |
| 300 | A | 92.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | L281 N282 I283 K386 L387 F405 | L281-A300 HydrophobicContact CD1-CB 3.91Å; N282-A300 CarbonylContact O-C 3.41Å; N282-A300 WeakPolarHBondContact O-CA 3.49Å; I283-A300 HydrophobicContact CG1-CB 4.41Å; A300-K386 CarbonylContact O-C 3.59Å; A300-L387 HydrophobicContact CB-CB 4.44Å; A300-L387 PolarHBondContact N-O 2.78Å; A300-L387 PolarHBondContact O-N 3.14Å; A300-F405 HydrophobicContact CB-CB 4.08Å; A300-F405 HydrophobicContact CB-CD1 3.81Å; A300-F405 HydrophobicContact CB-CD2 3.63Å; A300-F405 HydrophobicContact CB-CE1 4.08Å; A300-F405 HydrophobicContact CB-CE2 3.94Å; A300-F405 HydrophobicContact CB-CG 3.55Å; A300-F405 HydrophobicContact CB-CZ 4.14Å |
| 301 | D | 91.6 | Very high | 82.2 | Confident | 52 Ų | 52 | 24.9 Ų | 24.9 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.9 | -178.2 | -65.7 | -6.4 | 0 | 0 | 0 | 108.5 | N282 S284 T384 K386 | N282-D301 PolarHBondContact N-O 2.85Å; N282-D301 VanDerWaalsContact N-O 3.08Å; N282-D301 PolarHBondContact O-N 3.24Å; S284-D301 VanDerWaalsContact CB-CG 3.44Å; S284-D301 WeakPolarHBondContact CB-OD1 3.24Å; S284-D301 WeakPolarHBondContact CB-OD2 3.29Å; S284-D301 PolarHBondContact OG-OD1 3.02Å; D301-T384 HydrophobicContact CB-CG2 3.7Å; D301-K386 VanDerWaalsContact OD1-CE 3.29Å; D301-K386 WeakPolarHBondContact OD1-CE 3.31Å |
| 302 | V | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.2 | 176 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | I279 E280 L281 L304 F313 T384 I385 L387 V407 | I279-V302 HydrophobicContact CG2-CG1 4.1Å; E280-V302 CarbonylContact O-C 3.59Å; E280-V302 WeakPolarHBondContact O-CA 3.09Å; L281-V302 HydrophobicContact CD1-CG2 3.79Å; V302-L304 HydrophobicContact CB-CG 4.43Å; V302-L304 HydrophobicContact CG1-CD1 4.29Å; V302-L304 HydrophobicContact CG1-CD2 3.72Å; V302-L304 HydrophobicContact CG1-CG 3.76Å; V302-F313 HydrophobicContact CB-CE1 4.4Å; V302-F313 HydrophobicContact CG1-CE1 4.25Å; V302-F313 HydrophobicContact CG2-CD1 4.27Å; V302-F313 HydrophobicContact CG2-CE1 4.29Å; V302-T384 CarbonylContact O-C 3.52Å; V302-T384 VanDerWaalsContact O-CA 3.23Å; V302-T384 WeakPolarHBondContact O-CA 3.4Å; V302-I385 PolarHBondContact N-O 2.88Å; V302-I385 PolarHBondContact O-N 2.52Å; V302-L387 HydrophobicContact CG2-CD1 3.58Å; V302-L387 HydrophobicContact CG2-CD2 4.21Å; V302-L387 HydrophobicContact CG2-CG 3.71Å; V302-V407 HydrophobicContact CB-CG2 4.38Å; V302-V407 HydrophobicContact CG1-CB 4.39Å; V302-V407 HydrophobicContact CG1-CG1 4.14Å; V302-V407 HydrophobicContact CG1-CG2 3.75Å; V302-V407 HydrophobicContact CG2-CG2 3.65Å |
| 303 | F | 84.9 | Confident | 83.4 | Confident | 17 Ų | 17 | 21.6 Ų | 21.6 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.2 | 174.8 | 179.8 | -111.7 | 0 | 0 | 0 | 110 | L277 I279 E280 P305 R380 K383 | L277-F303 HydrophobicContact CB-CE1 4.45Å; L277-F303 HydrophobicContact CD1-CE1 4.26Å; L277-F303 HydrophobicContact CD1-CZ 4.33Å; I279-F303 WeakPolarHBondContact CG2-O 3.43Å; E280-F303 HydrophobicContact CB-CB 4.19Å; E280-F303 PolarHBondContact N-O 2.94Å; E280-F303 PolarHBondContact O-N 3.06Å; F303-P305 HydrophobicContact CD1-CG 4.07Å; F303-P305 HydrophobicContact CE1-CB 3.81Å; F303-P305 HydrophobicContact CE1-CG 3.69Å; F303-P305 HydrophobicContact CZ-CB 4Å; F303-P305 HydrophobicContact CZ-CG 4.38Å; F303-P305 VanDerWaalsContact O-CD 3.31Å; F303-P305 WeakPolarHBondContact O-CD 3.33Å; F303-R380 HydrophobicContact CD2-CG 3.7Å; F303-R380 HydrophobicContact CE2-CG 3.92Å; F303-R380 HydrophobicContact CG-CG 4.49Å; F303-K383 HydrophobicContact CD2-CB 4.14Å; F303-K383 HydrophobicContact CE2-CB 3.78Å; F303-K383 HydrophobicContact CE2-CD 3.92Å; F303-K383 HydrophobicContact CE2-CG 4.49Å; F303-K383 HydrophobicContact CZ-CD 4.24Å |
| 304 | L | 82.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -121.7 | 82.8 | -171 | -68.4 | 172.2 | 0 | 0 | 0 | 111.4 | I279 V302 I306 Y311 F313 F335 L368 N370 K383 I385 | I279-L304 HydrophobicContact CD1-CD2 4.4Å; I279-L304 HydrophobicContact CG1-CD2 4.44Å; I279-L304 HydrophobicContact CG2-CD2 3.71Å; V302-L304 HydrophobicContact CB-CG 4.43Å; V302-L304 HydrophobicContact CG1-CD1 4.29Å; V302-L304 HydrophobicContact CG1-CD2 3.72Å; V302-L304 HydrophobicContact CG1-CG 3.76Å; L304-I306 PolarHBondContact O-N 3.06Å; L304-Y311 HydrophobicContact CD2-CD1 4Å; L304-Y311 HydrophobicContact CD2-CE1 3.51Å; L304-F313 HydrophobicContact CD1-CE1 3.95Å; L304-F313 HydrophobicContact CD1-CZ 3.75Å; L304-F335 HydrophobicContact CB-CE2 4.41Å; L304-F335 HydrophobicContact CB-CZ 3.65Å; L304-F335 HydrophobicContact CD1-CE1 4.41Å; L304-F335 HydrophobicContact CD1-CZ 3.99Å; L304-F335 HydrophobicContact CG-CZ 4.48Å; L304-L368 HydrophobicContact CD1-CD2 4.42Å; L304-N370 PolarHBondContact O-ND2 2.92Å; L304-K383 PolarHBondContact N-O 2.8Å; L304-I385 HydrophobicContact CD1-CB 4.27Å; L304-I385 HydrophobicContact CD1-CD1 3.64Å; L304-I385 HydrophobicContact CD1-CG1 3.91Å | ||
| 305 | P | 72.1 | Confident | 83.5 | Confident | 13 Ų | 13 | 20.1 Ų | 20.1 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | trans | -86.1 | 51.2 | -178.4 | 36.8 | -37.3 | 0 | 0 | 0 | 112.1 | L277 F303 G373 | L277-P305 HydrophobicContact CB-CB 3.81Å; L277-P305 HydrophobicContact CB-CG 3.46Å; L277-P305 VanDerWaalsContact CB-CG 3.46Å; L277-P305 HydrophobicContact CD1-CB 4.08Å; L277-P305 WeakPolarHBondContact O-CG 3.38Å; F303-P305 HydrophobicContact CD1-CG 4.07Å; F303-P305 HydrophobicContact CE1-CB 3.81Å; F303-P305 HydrophobicContact CE1-CG 3.69Å; F303-P305 HydrophobicContact CZ-CB 4Å; F303-P305 HydrophobicContact CZ-CG 4.38Å; F303-P305 VanDerWaalsContact O-CD 3.31Å; F303-P305 WeakPolarHBondContact O-CD 3.33Å; P305-G373 CarbonylContact C-O 3.59Å | ||
| 306 | I | 71.1 | Confident | 83.1 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 14% | 0.138 | 11% | 0.112 | C | C | . | . | trans | -133.7 | 135.4 | -179.4 | -52.3 | 178.9 | 0 | 0 | 0 | 108.2 | I279 L304 D309 Y311 N370 R412 | I279-I306 HydrophobicContact CD1-CD1 3.94Å; I279-I306 HydrophobicContact CG1-CD1 4.12Å; L304-I306 PolarHBondContact O-N 3.06Å; I306-D309 HydrophobicContact CG2-CB 4.24Å; I306-Y311 WeakPolarHBondContact CB-OH 3.39Å; I306-N370 VanDerWaalsContact O-CB 3.24Å; I306-N370 WeakPolarHBondContact O-CB 3.17Å; I306-R412 VanDerWaalsContact CD1-CZ 3.47Å | ||
| 307 | L | 66.7 | Low | 82.5 | Confident | 60 Ų | 60 | 21.7 Ų | 21.7 | 31% | 0.314 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -60.5 | -46.4 | -176.6 | -87.3 | 170.2 | 0 | 0 | 0 | 114.1 | H369 N370 L374 | L307-H369 CarbonylContact O-C 3.48Å; L307-H369 WeakPolarHBondContact O-CA 3.27Å; L307-N370 WeakPolarHBondContact CD2-O 3.5Å; L307-N370 PolarHBondContact O-N 2.94Å; L307-L374 HydrophobicContact CD1-CD1 3.2Å; L307-L374 HydrophobicContact CD1-CD2 4.02Å; L307-L374 HydrophobicContact CD1-CG 3.72Å; L307-L374 HydrophobicContact CD2-CD1 3.69Å; L307-L374 HydrophobicContact CD2-CG 3.86Å; L307-L374 HydrophobicContact CG-CD1 3.49Å; L307-L374 VanDerWaalsContact CG-CD1 3.49Å; L307-L374 HydrophobicContact CG-CD2 3.97Å; L307-L374 HydrophobicContact CG-CG 3.5Å; L307-L374 VanDerWaalsContact CG-CG 3.5Å |
| 308 | K | 74.4 | Confident | 81.2 | Confident | 99 Ų | 99 | 20.7 Ų | 20.7 | 43% | 0.43 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 125.8 | -171.5 | 175.1 | 174.7 | -172.8 | 148.3 | 0 | 107.7 | E367 L368 H369 | K308-E367 VanDerWaalsContact CE-CG 3.42Å; K308-E367 WeakPolarHBondContact CE-OE2 3.23Å; K308-E367 IonicContact NZ-OE2 2.66Å; K308-E367 PolarHBondContact NZ-OE2 3.24Å; K308-L368 WeakPolarHBondContact CA-O 3.43Å; K308-H369 WeakPolarHBondContact CD-NE2 3.33Å; K308-H369 WeakPolarHBondContact CE-NE2 3.38Å; K308-H369 PolarHBondContact NZ-NE2 3.42Å |
| 309 | D | 79.6 | Confident | 79.6 | Confident | 20 Ų | 20 | 21 Ų | 21 | 11% | 0.107 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 168.5 | 173.2 | -154.8 | -14 | 0 | 0 | 0 | 109.4 | I306 Y311 L368 S410 | I306-D309 HydrophobicContact CG2-CB 4.24Å; D309-Y311 HydrophobicContact CB-CD2 4.29Å; D309-Y311 HydrophobicContact CB-CE1 4.16Å; D309-Y311 HydrophobicContact CB-CE2 3.6Å; D309-L368 PolarHBondContact N-O 3.26Å; D309-L368 PolarHBondContact O-N 2.85Å; D309-S410 VanDerWaalsContact OD1-CB 3.28Å; D309-S410 WeakPolarHBondContact OD1-CB 3.19Å; D309-S410 PolarHBondContact OD1-OG 2.99Å |
| 310 | N | 81.9 | Confident | 78.5 | Confident | 47 Ų | 47 | 23 Ų | 23 | 25% | 0.251 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.5 | 169 | -62.8 | -17.2 | 0 | 0 | 0 | 108.6 | Y364 V365 E366 E367 A409 S410 | N310-Y364 HydrophobicContact CB-CE2 4.18Å; N310-Y364 PolarHBondContact ND2-OH 2.98Å; N310-V365 WeakPolarHBondContact CA-O 3.49Å; N310-E366 WeakPolarHBondContact OD1-CA 3.32Å; N310-E367 PolarHBondContact OD1-N 3.14Å; N310-A409 WeakPolarHBondContact O-CA 3.26Å; N310-S410 PolarHBondContact O-N 2.96Å |
| 311 | Y | 85 | Confident | 77.3 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.6 | -178.3 | -62.9 | -78.9 | 0 | 0 | 0 | 111.9 | I279 L304 I306 D309 F313 Y364 V365 L368 V407 H408 A409 | I279-Y311 HydrophobicContact CD1-CE1 4.12Å; L304-Y311 HydrophobicContact CD2-CD1 4Å; L304-Y311 HydrophobicContact CD2-CE1 3.51Å; I306-Y311 WeakPolarHBondContact CB-OH 3.39Å; D309-Y311 HydrophobicContact CB-CD2 4.29Å; D309-Y311 HydrophobicContact CB-CE1 4.16Å; D309-Y311 HydrophobicContact CB-CE2 3.6Å; Y311-F313 HydrophobicContact CD2-CZ 4.49Å; Y311-F313 HydrophobicContact CG-CE2 4.41Å; Y311-F313 HydrophobicContact CG-CZ 4.05Å; Y311-Y364 CarbonylContact O-C 3.56Å; Y311-Y364 WeakPolarHBondContact O-CA 3.44Å; Y311-V365 PolarHBondContact N-O 2.82Å; Y311-V365 PolarHBondContact O-N 2.64Å; Y311-L368 HydrophobicContact CD2-CB 3.91Å; Y311-L368 HydrophobicContact CD2-CD2 3.74Å; Y311-L368 HydrophobicContact CD2-CG 4.36Å; Y311-L368 HydrophobicContact CE2-CB 4.23Å; Y311-L368 HydrophobicContact CE2-CD2 4.14Å; Y311-V407 HydrophobicContact CD1-CG1 4.36Å; Y311-H408 CarbonylContact C-O 3.57Å; Y311-H408 VanDerWaalsContact CA-O 3.29Å; Y311-H408 WeakPolarHBondContact CA-O 3.45Å; Y311-A409 HydrophobicContact CD1-CB 3.79Å; Y311-A409 HydrophobicContact CE1-CB 3.66Å |
| 312 | T | 81.8 | Confident | 76.9 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.043 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.6 | 162.4 | -48.5 | 0 | 0 | 0 | 0 | 108.4 | D362 I363 V407 H408 V843 | T312-D362 HydrophobicContact CG2-CB 4.13Å; T312-I363 WeakPolarHBondContact CA-O 3.43Å; T312-V407 WeakPolarHBondContact O-CA 3.37Å; T312-H408 PolarHBondContact N-O 3.21Å; T312-H408 PolarHBondContact O-N 2.83Å; T312-V843 HydrophobicContact CG2-CG1 4.35Å; T312-V843 HydrophobicContact CG2-CG2 3.98Å |
| 313 | F | 87.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.1 | 172.1 | -55.9 | -81.1 | 0 | 0 | 0 | 109.2 | V302 L304 Y311 L329 D362 I363 V365 L368 I385 L387 V407 | V302-F313 HydrophobicContact CB-CE1 4.4Å; V302-F313 HydrophobicContact CG1-CE1 4.25Å; V302-F313 HydrophobicContact CG2-CD1 4.27Å; V302-F313 HydrophobicContact CG2-CE1 4.29Å; L304-F313 HydrophobicContact CD1-CE1 3.95Å; L304-F313 HydrophobicContact CD1-CZ 3.75Å; Y311-F313 HydrophobicContact CD2-CZ 4.49Å; Y311-F313 HydrophobicContact CG-CE2 4.41Å; Y311-F313 HydrophobicContact CG-CZ 4.05Å; F313-L329 HydrophobicContact CB-CD2 4.07Å; F313-L329 HydrophobicContact CD2-CD1 3.86Å; F313-L329 HydrophobicContact CD2-CD2 4.12Å; F313-L329 HydrophobicContact CE2-CD1 4.24Å; F313-L329 HydrophobicContact CG-CD2 4.06Å; F313-D362 CarbonylContact O-C 3.49Å; F313-D362 WeakPolarHBondContact O-CA 3.38Å; F313-I363 PolarHBondContact N-O 2.03Å; F313-I363 PolarHBondContact O-N 3.36Å; F313-V365 HydrophobicContact CD2-CG2 4.11Å; F313-V365 HydrophobicContact CE2-CB 4.5Å; F313-V365 HydrophobicContact CE2-CG2 3.98Å; F313-L368 HydrophobicContact CE2-CD2 4.22Å; F313-L368 HydrophobicContact CZ-CD2 4.14Å; F313-I385 HydrophobicContact CE2-CD1 4.49Å; F313-I385 HydrophobicContact CZ-CD1 3.95Å; F313-L387 HydrophobicContact CB-CD2 3.94Å; F313-L387 HydrophobicContact CD1-CD1 4.4Å; F313-L387 HydrophobicContact CD1-CD2 3.74Å; F313-L387 HydrophobicContact CG-CD2 3.97Å; F313-V407 HydrophobicContact CD1-CG1 4.06Å; F313-V407 HydrophobicContact CD1-CG2 3.95Å; F313-V407 HydrophobicContact CE1-CG1 3.96Å; F313-V407 HydrophobicContact CE1-CG2 4.38Å |
| 314 | S | 81.2 | Confident | 77 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.7 | -175.9 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | I361 D362 F405 R406 | S314-I361 WeakPolarHBondContact CA-O 3.45Å; S314-D362 WeakPolarHBondContact CB-OD1 3.45Å; S314-D362 PolarHBondContact OG-OD1 3.49Å; S314-F405 CarbonylContact O-C 3.45Å; S314-F405 WeakPolarHBondContact O-CA 3.29Å; S314-R406 PolarHBondContact N-O 3.48Å; S314-R406 PolarHBondContact O-N 3.26Å |
| 315 | V | 85.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.7 | 161.4 | 62.8 | 0 | 0 | 0 | 0 | 108.2 | I324 L327 R360 I361 A389 I403 G404 F405 | V315-I324 HydrophobicContact CG1-CD1 4.06Å; V315-I324 HydrophobicContact CG1-CG2 3.6Å; V315-I324 HydrophobicContact CG2-CD1 4.23Å; V315-I324 WeakPolarHBondContact O-CD1 3.38Å; V315-L327 HydrophobicContact CB-CD1 4.29Å; V315-L327 HydrophobicContact CB-CD2 4.48Å; V315-L327 HydrophobicContact CG1-CB 3.9Å; V315-L327 HydrophobicContact CG1-CD1 3.96Å; V315-L327 HydrophobicContact CG1-CD2 3.91Å; V315-L327 HydrophobicContact CG1-CG 4.12Å; V315-R360 CarbonylContact O-C 3.5Å; V315-R360 VanDerWaalsContact O-CA 3.26Å; V315-R360 WeakPolarHBondContact O-CA 3.14Å; V315-R360 WeakPolarHBondContact O-CG 3.43Å; V315-I361 HydrophobicContact CG1-CB 4.11Å; V315-I361 PolarHBondContact N-O 2.89Å; V315-I361 PolarHBondContact O-N 3.26Å; V315-A389 HydrophobicContact CB-CB 4.35Å; V315-A389 HydrophobicContact CG1-CB 4.32Å; V315-A389 HydrophobicContact CG2-CB 3.8Å; V315-I403 HydrophobicContact CG2-CG2 3.86Å; V315-G404 CarbonylContact C-O 3.57Å; V315-G404 VanDerWaalsContact CA-O 3.32Å; V315-G404 WeakPolarHBondContact CA-O 3.43Å; V315-F405 HydrophobicContact CB-CD1 4.13Å; V315-F405 HydrophobicContact CB-CE1 4.09Å; V315-F405 HydrophobicContact CG2-CD1 4.18Å; V315-F405 HydrophobicContact CG2-CE1 3.9Å; V315-F405 HydrophobicContact CG2-CZ 4.11Å |
| 316 | Y | 76.8 | Confident | 77.7 | Confident | 44 Ų | 44 | 20.7 Ų | 20.7 | 17% | 0.173 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.5 | 179.2 | 62.7 | -87 | 0 | 0 | 0 | 111.7 | V318 I324 K359 I403 G404 R406 E418 | Y316-V318 HydrophobicContact CD2-CG2 4.15Å; Y316-V318 HydrophobicContact CE2-CG2 4.05Å; Y316-I324 VanDerWaalsContact CA-CD1 3.49Å; Y316-K359 CarbonylContact C-O 3.39Å; Y316-K359 WeakPolarHBondContact CA-O 3.23Å; Y316-I403 WeakPolarHBondContact O-CA 3.4Å; Y316-G404 WeakPolarHBondContact CD1-O 3.33Å; Y316-G404 PolarHBondContact N-O 3.16Å; Y316-G404 PolarHBondContact O-N 3.2Å; Y316-R406 HydrophobicContact CE1-CB 4.16Å; Y316-E418 HydrophobicContact CE2-CG 4.44Å; Y316-E418 VanDerWaalsContact CE2-OE1 3.29Å; Y316-E418 WeakPolarHBondContact CE2-OE1 3.32Å; Y316-E418 VanDerWaalsContact OH-CG 3.3Å; Y316-E418 WeakPolarHBondContact OH-CG 3.43Å; Y316-E418 PolarHBondContact OH-OE1 2.78Å |
| 317 | S | 75.3 | Confident | 78.5 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 5% | 0.049 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.4 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | K359 I402 | S317-K359 PolarHBondContact N-O 3.15Å; S317-I402 WeakPolarHBondContact CA-O 3.49Å |
| 318 | V | 60.9 | Low | 79.4 | Confident | 24 Ų | 24 | 18.5 Ų | 18.5 | 15% | 0.145 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.7 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | Y316 I402 N852 | Y316-V318 HydrophobicContact CD2-CG2 4.15Å; Y316-V318 HydrophobicContact CE2-CG2 4.05Å; V318-I402 HydrophobicContact CB-CB 4.06Å; V318-I402 HydrophobicContact CB-CG2 4.44Å; V318-I402 HydrophobicContact CG2-CB 4.18Å; V318-I402 HydrophobicContact CG2-CG2 4.01Å; V318-I402 PolarHBondContact N-O 2.93Å; V318-N852 WeakPolarHBondContact CG1-ND2 3.48Å |
| 319 | G | 58.5 | Low | 80.1 | Confident | 7 Ų | 7 | 15.8 Ų | 15.8 | 7% | 0.072 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 73.2 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S321 K359 D805 | G319-S321 PolarHBondContact O-N 3.44Å; G319-K359 WeakPolarHBondContact O-CE 3.45Å; G319-K359 PolarHBondContact O-NZ 2.78Å; G319-D805 WeakPolarHBondContact CA-OD2 3.31Å; G319-D805 PolarHBondContact N-OD2 2.76Å |
| 320 | Q | 69.3 | Low | 80.5 | Confident | 54 Ų | 54 | 19.8 Ų | 19.8 | 25% | 0.252 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -99.6 | 34.6 | -171.4 | -60.9 | 176.4 | -10.9 | 0 | 0 | 112.6 | E350 L352 I357 L394 | Q320-E350 PolarHBondContact NE2-OE2 3.35Å; Q320-L352 HydrophobicContact CB-CD2 4.45Å; Q320-L352 HydrophobicContact CG-CD2 3.91Å; Q320-L352 VanDerWaalsContact NE2-CD2 3.32Å; Q320-I357 HydrophobicContact CB-CD1 4.16Å; Q320-I357 HydrophobicContact CG-CD1 4.2Å; Q320-L394 WeakPolarHBondContact O-CD1 3.28Å |
| 321 | S | 66.7 | Low | 80.8 | Confident | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.028 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -101 | -20.4 | -172.9 | -58.2 | 0 | 0 | 0 | 0 | 114.4 | G319 L394 P397 S398 | G319-S321 PolarHBondContact O-N 3.44Å; S321-L394 WeakPolarHBondContact O-CD1 3.48Å; S321-L394 PolarHBondContact O-N 3.08Å; S321-P397 WeakPolarHBondContact O-CB 3.15Å; S321-S398 WeakPolarHBondContact OG-CB 3.44Å; S321-S398 PolarHBondContact OG-N 2.89Å; S321-S398 PolarHBondContact OG-OG 2.92Å |
| 322 | A | 82.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I391 Q392 I393 L394 V401 I403 | A322-I391 HydrophobicContact CB-CG2 3.73Å; A322-Q392 CarbonylContact C-O 3.11Å; A322-Q392 WeakPolarHBondContact CA-O 3.32Å; A322-I393 HydrophobicContact CB-CD1 3.89Å; A322-L394 VanDerWaalsContact C-CD1 3.47Å; A322-L394 VanDerWaalsContact CA-CD1 3.48Å; A322-L394 VanDerWaalsContact N-CD1 3.28Å; A322-V401 HydrophobicContact CB-CB 4.47Å; A322-V401 HydrophobicContact CB-CG1 3.45Å; A322-V401 VanDerWaalsContact CB-CG1 3.45Å; A322-V401 HydrophobicContact CB-CG2 4.15Å; A322-I403 HydrophobicContact CB-CD1 4.33Å |
| 323 | T | 88.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.2 | 166.4 | -175 | 0 | 0 | 0 | 0 | 108.8 | A325 T358 Q392 H504 | T323-A325 PolarHBondContact O-N 3.45Å; T323-T358 PolarHBondContact OG1-N 2.99Å; T323-Q392 HydrophobicContact CG2-CB 3.87Å; T323-Q392 PolarHBondContact N-O 3.18Å; T323-Q392 PolarHBondContact O-N 3.26Å; T323-H504 HydrophobicContact CG2-CB 4.17Å |
| 324 | I | 87.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 99.4 | 177.2 | -53.3 | 172.8 | 0 | 0 | 0 | 107.4 | V315 Y316 T358 K359 I361 I391 | V315-I324 HydrophobicContact CG1-CD1 4.06Å; V315-I324 HydrophobicContact CG1-CG2 3.6Å; V315-I324 HydrophobicContact CG2-CD1 4.23Å; V315-I324 WeakPolarHBondContact O-CD1 3.38Å; Y316-I324 VanDerWaalsContact CA-CD1 3.49Å; I324-T358 HydrophobicContact CB-CG2 4.4Å; I324-T358 WeakPolarHBondContact CG1-O 3.27Å; I324-T358 PolarHBondContact N-O 2.86Å; I324-T358 VanDerWaalsContact O-CB 3.29Å; I324-T358 WeakPolarHBondContact O-CB 3.47Å; I324-K359 VanDerWaalsContact CD1-O 3.29Å; I324-K359 WeakPolarHBondContact CD1-O 3.36Å; I324-I361 HydrophobicContact CB-CD1 4.26Å; I324-I361 HydrophobicContact CB-CG1 4.34Å; I324-I361 HydrophobicContact CG2-CD1 3.58Å; I324-I361 HydrophobicContact CG2-CG1 3.89Å; I324-I391 HydrophobicContact CB-CD1 4.33Å; I324-I391 HydrophobicContact CG1-CD1 3.96Å; I324-I391 HydrophobicContact CG2-CD1 4.14Å |
| 325 | A | 85 | Confident | 80 | Confident | 11 Ų | 11 | 26.8 Ų | 26.8 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -33.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T323 Y390 M501 | T323-A325 PolarHBondContact O-N 3.45Å; A325-Y390 PolarHBondContact N-O 2.9Å; A325-M501 HydrophobicContact CB-CE 3.52Å; A325-M501 HydrophobicContact CB-CG 3.61Å; A325-M501 HydrophobicContact CB-SD 3.97Å |
| 326 | S | 85.6 | Confident | 79.7 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 162.8 | 173.1 | -163.2 | 0 | 0 | 0 | 0 | 113 | A389 Y390 | S326-A389 WeakPolarHBondContact O-CA 3.06Å; S326-Y390 PolarHBondContact N-O 3.22Å; S326-Y390 PolarHBondContact O-N 2.73Å |
| 327 | L | 88 | Confident | 79.5 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.2 | 169.1 | 177.3 | 66.2 | 0 | 0 | 0 | 108 | V315 K345 I361 I363 L387 V388 A389 F405 | V315-L327 HydrophobicContact CB-CD1 4.29Å; V315-L327 HydrophobicContact CB-CD2 4.48Å; V315-L327 HydrophobicContact CG1-CB 3.9Å; V315-L327 HydrophobicContact CG1-CD1 3.96Å; V315-L327 HydrophobicContact CG1-CD2 3.91Å; V315-L327 HydrophobicContact CG1-CG 4.12Å; L327-K345 PolarHBondContact O-NZ 2.75Å; L327-I361 HydrophobicContact CB-CB 4.2Å; L327-I361 HydrophobicContact CB-CD1 4.36Å; L327-I361 HydrophobicContact CB-CG2 3.92Å; L327-I361 HydrophobicContact CD2-CG2 4.32Å; L327-I363 HydrophobicContact CB-CD1 4.26Å; L327-I363 HydrophobicContact CD2-CD1 3.67Å; L327-I363 HydrophobicContact CD2-CG1 3.96Å; L327-I363 HydrophobicContact CG-CD1 3.76Å; L327-L387 HydrophobicContact CD1-CB 4.23Å; L327-V388 WeakPolarHBondContact CA-O 2.99Å; L327-A389 HydrophobicContact CD1-CB 4.26Å; L327-F405 HydrophobicContact CD1-CE1 4.49Å |
| 328 | S | 86.2 | Confident | 79.3 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.2 | 172.6 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | V388 | S328-V388 PolarHBondContact N-O 3.01Å; S328-V388 PolarHBondContact O-N 3.23Å; S328-V388 PolarHBondContact OG-O 2.99Å |
| 329 | L | 88.5 | Confident | 79.9 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.7 | 176.9 | -54.1 | -179.5 | 0 | 0 | 0 | 109.3 | F313 I363 V365 I385 L387 | F313-L329 HydrophobicContact CB-CD2 4.07Å; F313-L329 HydrophobicContact CD2-CD1 3.86Å; F313-L329 HydrophobicContact CD2-CD2 4.12Å; F313-L329 HydrophobicContact CE2-CD1 4.24Å; F313-L329 HydrophobicContact CG-CD2 4.06Å; L329-I363 HydrophobicContact CD1-CB 4.32Å; L329-I363 HydrophobicContact CD1-CD1 4.29Å; L329-I363 HydrophobicContact CD1-CG2 3.71Å; L329-I363 HydrophobicContact CD2-CD1 4.15Å; L329-I363 HydrophobicContact CG-CD1 3.91Å; L329-I363 HydrophobicContact CG-CG2 4.48Å; L329-V365 HydrophobicContact CD1-CG2 3.98Å; L329-I385 HydrophobicContact CB-CG2 4.13Å; L329-I385 HydrophobicContact CD2-CG2 4.23Å; L329-L387 HydrophobicContact CD2-CD2 3.18Å |
| 330 | E | 88.6 | Confident | 80.9 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 49% | 0.486 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.8 | 169.5 | -72.4 | 178 | -172.1 | 0 | 0 | 108.8 | I385 K386 V388 | E330-I385 WeakPolarHBondContact O-CA 3.27Å; E330-K386 HydrophobicContact CB-CB 4.11Å; E330-K386 PolarHBondContact N-O 2.73Å; E330-K386 PolarHBondContact O-N 3.27Å; E330-K386 WeakPolarHBondContact OE2-CD 3.46Å; E330-V388 HydrophobicContact CG-CG2 4.16Å |
| 331 | K | 87 | Confident | 81.4 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.6 | -176.3 | -70.5 | -179.7 | -175.3 | -178.6 | 0 | 110.4 | F335 Q336 | K331-F335 HydrophobicContact CB-CB 3.86Å; K331-F335 HydrophobicContact CD-CB 4.16Å; K331-F335 HydrophobicContact CG-CB 4.07Å; K331-Q336 HydrophobicContact CB-CG 4.25Å; K331-Q336 PolarHBondContact O-NE2 2.97Å |
| 332 | G | 83.7 | Confident | 81.9 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | trans | -58.6 | 160.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G334 F335 S382 T384 | G332-G334 PolarHBondContact O-N 3.27Å; G332-F335 PolarHBondContact O-N 2.77Å; G332-S382 CarbonylContact C-O 3.59Å; G332-T384 WeakPolarHBondContact CA-O 3.18Å; G332-T384 PolarHBondContact N-O 2.93Å | ||
| 333 | E | 77.8 | Confident | 81.6 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -48.6 | -36.7 | -174.9 | -68.3 | 179.8 | 163.1 | 0 | 0 | 113.7 | F335 Q336 Y372 | E333-F335 PolarHBondContact O-N 3.2Å; E333-F335 VanDerWaalsContact O-N 3.13Å; E333-Q336 PolarHBondContact O-N 2.76Å; E333-Y372 HydrophobicContact CB-CE2 3.81Å |
| 334 | G | 75.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -62.3 | -20 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G332 N370 I371 S382 | G332-G334 PolarHBondContact O-N 3.27Å; G334-N370 WeakPolarHBondContact CA-OD1 3.33Å; G334-N370 CarbonylContact O-C 3.58Å; G334-N370 WeakPolarHBondContact O-CA 3.22Å; G334-I371 WeakPolarHBondContact O-CG1 3.23Å; G334-I371 PolarHBondContact O-N 2.86Å; G334-S382 WeakPolarHBondContact CA-O 3.41Å; G334-S382 PolarHBondContact N-O 3.47Å |
| 335 | F | 83.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -105.3 | -0.5 | -178.9 | -63.3 | -78.5 | 0 | 0 | 0 | 113.7 | L304 K331 G332 E333 L368 H369 N370 I385 | L304-F335 HydrophobicContact CB-CE2 4.41Å; L304-F335 HydrophobicContact CB-CZ 3.65Å; L304-F335 HydrophobicContact CD1-CE1 4.41Å; L304-F335 HydrophobicContact CD1-CZ 3.99Å; L304-F335 HydrophobicContact CG-CZ 4.48Å; K331-F335 HydrophobicContact CB-CB 3.86Å; K331-F335 HydrophobicContact CD-CB 4.16Å; K331-F335 HydrophobicContact CG-CB 4.07Å; G332-F335 PolarHBondContact O-N 2.77Å; E333-F335 PolarHBondContact O-N 3.2Å; E333-F335 VanDerWaalsContact O-N 3.13Å; F335-L368 HydrophobicContact CD1-CD1 3.72Å; F335-L368 HydrophobicContact CD1-CD2 4.01Å; F335-L368 HydrophobicContact CD1-CG 3.69Å; F335-L368 HydrophobicContact CE1-CD1 4.42Å; F335-L368 HydrophobicContact CE1-CD2 3.95Å; F335-L368 HydrophobicContact CE1-CG 3.88Å; F335-H369 WeakPolarHBondContact CD1-O 3.12Å; F335-N370 HydrophobicContact CD1-CB 4Å; F335-N370 HydrophobicContact CE1-CB 3.39Å; F335-N370 HydrophobicContact CE2-CB 4.33Å; F335-N370 HydrophobicContact CZ-CB 3.54Å; F335-N370 WeakPolarHBondContact CZ-ND2 3.41Å; F335-I385 HydrophobicContact CD1-CD1 4.09Å; F335-I385 HydrophobicContact CD2-CD1 4.12Å; F335-I385 HydrophobicContact CD2-CG1 3.71Å; F335-I385 HydrophobicContact CE1-CD1 4.15Å; F335-I385 HydrophobicContact CE2-CD1 4.21Å; F335-I385 HydrophobicContact CE2-CG1 3.76Å; F335-I385 HydrophobicContact CG-CD1 4.07Å; F335-I385 HydrophobicContact CG-CG1 4.15Å; F335-I385 HydrophobicContact CZ-CD1 4.24Å; F335-I385 HydrophobicContact CZ-CG1 4.23Å |
| 336 | Q | 78.9 | Confident | 79.8 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -24.3 | -175.2 | -66.1 | -178.2 | 7.5 | 0 | 0 | 113.3 | K331 E333 | K331-Q336 HydrophobicContact CB-CG 4.25Å; K331-Q336 PolarHBondContact O-NE2 2.97Å; E333-Q336 PolarHBondContact O-N 2.76Å |
| 337 | K | 72.4 | Confident | 79.3 | Confident | 125 Ų | 125 | 66.5 Ų | 66.5 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -73.3 | -28.4 | -173.5 | -166.7 | 172.3 | -177.1 | -179.5 | 0 | 114.1 | I371 | K337-I371 HydrophobicContact CB-CD1 4.09Å; K337-I371 HydrophobicContact CB-CG2 4.14Å; K337-I371 HydrophobicContact CD-CD1 3.9Å; K337-I371 HydrophobicContact CD-CG2 4.25Å |
| 338 | H | 70.4 | Confident | 78.6 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -122.9 | 128.8 | -179.2 | -64.3 | -57.2 | 0 | 0 | 0 | 110 | H369 | H338-H369 HydrophobicContact CB-CB 3.89Å; H338-H369 AromaticContact CD2-ND1 3.79Å; H338-H369 AromaticContact CG-ND1 3.83Å |
| 339 | E | 74.8 | Confident | 78.2 | Confident | 183 Ų | 183 | 66 Ų | 66 | 86% | 0.855 | 32% | 0.319 | S | S | * | . | trans | -70.8 | 140.6 | 168.2 | -70.5 | -168.9 | 156.6 | 0 | 0 | 109.9 | ||||
| 340 | A | 78.8 | Confident | 77.5 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -66.7 | 146.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S342 V343 V365 | A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.37Å; A340-V343 HydrophobicContact CB-CG2 4.12Å; A340-V365 HydrophobicContact CB-CG1 3.4Å | ||
| 341 | K | 79.2 | Confident | 76.8 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -61.2 | -40.1 | -178.8 | 176.1 | 179 | 170 | -160.1 | 0 | 112.2 | E366 E367 | K341-E366 HydrophobicContact CD-CG 4.49Å; K341-E366 WeakPolarHBondContact CE-OE1 3.32Å; K341-E366 PolarHBondContact N-O 3.17Å; K341-E366 IonicContact NZ-OE1 2.7Å; K341-E366 PolarHBondContact NZ-OE1 2.69Å; K341-E367 HydrophobicContact CB-CB 3.95Å; K341-E367 HydrophobicContact CB-CG 4.34Å; K341-E367 HydrophobicContact CD-CG 4.09Å; K341-E367 WeakPolarHBondContact CD-OE1 3.17Å; K341-E367 IonicContact NZ-OE1 3.66Å; K341-E367 PolarHBondContact NZ-OE1 3.22Å |
| 342 | S | 77.5 | Confident | 76 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 146.6 | 172.7 | 76.4 | 0 | 0 | 0 | 0 | 110.8 | A340 E366 | A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.37Å; S342-E366 PolarHBondContact O-N 3.25Å; S342-E366 WeakPolarHBondContact OG-CB 3.1Å; S342-E366 PolarHBondContact OG-OE2 3.29Å |
| 343 | V | 76.9 | Confident | 75 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.3 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | A340 I363 Y364 V365 | A340-V343 HydrophobicContact CB-CG2 4.12Å; V343-I363 HydrophobicContact CG1-CG2 3.75Å; V343-Y364 CarbonylContact C-O 3.5Å; V343-Y364 WeakPolarHBondContact CA-O 3.48Å; V343-V365 HydrophobicContact CG1-CG2 4.46Å; V343-V365 HydrophobicContact CG2-CG1 4.26Å |
| 344 | R | 73.3 | Confident | 74.7 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.2 | 177.4 | -60.8 | -175.2 | -171.4 | -171.4 | 3.2 | 109.3 | I363 Y364 E691 | R344-I363 CarbonylContact O-C 3.53Å; R344-I363 WeakPolarHBondContact O-CA 3.22Å; R344-Y364 PolarHBondContact N-O 3.1Å; R344-Y364 PolarHBondContact O-N 2.82Å; R344-E691 WeakPolarHBondContact CD-OE1 3.17Å |
| 345 | K | 77.8 | Confident | 74.9 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.3 | -176.9 | -179.1 | 172 | -178.9 | 165 | 0 | 108.8 | L327 I361 D362 I363 | L327-K345 PolarHBondContact O-NZ 2.75Å; K345-I361 HydrophobicContact CD-CG2 4.38Å; K345-I361 VanDerWaalsContact CE-CG2 3.44Å; K345-I361 HydrophobicContact CG-CG2 4.14Å; K345-D362 CarbonylContact C-O 3.32Å; K345-D362 VanDerWaalsContact CA-O 3.32Å; K345-D362 WeakPolarHBondContact CA-O 3.41Å; K345-I363 HydrophobicContact CD-CG1 4.3Å; K345-I363 HydrophobicContact CG-CG1 4.12Å |
| 346 | T | 71.7 | Confident | 74.8 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.5 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | I361 D362 E691 | T346-I361 WeakPolarHBondContact O-CA 3.36Å; T346-D362 PolarHBondContact N-O 3.36Å; T346-D362 PolarHBondContact O-N 3.07Å; T346-E691 WeakPolarHBondContact CG2-OE2 3.32Å |
| 347 | T | 76.1 | Confident | 75 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.7 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 108.6 | T358 I361 S651 | T347-T358 HydrophobicContact CG2-CG2 4.44Å; T347-I361 HydrophobicContact CG2-CG1 4.17Å; T347-I361 HydrophobicContact CG2-CG2 4.48Å; T347-S651 WeakPolarHBondContact O-CB 3.43Å; T347-S651 PolarHBondContact O-OG 3.12Å |
| 348 | Q | 71.7 | Confident | 75.6 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.3 | 170.7 | -171.4 | 162.9 | 23.4 | 0 | 0 | 109.1 | T358 K359 R360 L808 | Q348-T358 CarbonylContact O-C 3.59Å; Q348-T358 WeakPolarHBondContact O-CA 3.42Å; Q348-K359 PolarHBondContact O-N 3.39Å; Q348-R360 HydrophobicContact CB-CB 3.95Å; Q348-R360 PolarHBondContact N-O 3.31Å; Q348-R360 PolarHBondContact O-N 2.82Å; Q348-L808 VanDerWaalsContact CD-CD1 3.47Å |
| 349 | E | 77.8 | Confident | 75.9 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.1 | -175.7 | -62.2 | -168.1 | 160 | 0 | 0 | 110.7 | I356 I357 R502 C650 I652 | E349-I356 HydrophobicContact CB-CG2 4.01Å; E349-I356 HydrophobicContact CG-CG2 4.39Å; E349-I357 CarbonylContact C-O 3.57Å; E349-I357 VanDerWaalsContact CA-O 3.32Å; E349-I357 WeakPolarHBondContact CA-O 3.3Å; E349-R502 IonicContact OE1-CZ 3.66Å; E349-R502 IonicContact OE1-NH1 3.63Å; E349-R502 PolarHBondContact OE1-NH1 3.22Å; E349-C650 PolarHBondContact N-O 2.92Å; E349-I652 WeakPolarHBondContact OE2-CB 3.46Å; E349-I652 WeakPolarHBondContact OE2-CD1 3.26Å; E349-I652 WeakPolarHBondContact OE2-CG1 3.39Å |
| 350 | E | 74.7 | Confident | 76.1 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.1 | 167.9 | 174.3 | 163.5 | -128.2 | 0 | 0 | 109 | Q320 L352 I356 I357 K359 K648 | Q320-E350 PolarHBondContact NE2-OE2 3.35Å; E350-L352 HydrophobicContact CG-CD2 3.92Å; E350-I356 WeakPolarHBondContact O-CA 3.48Å; E350-I357 HydrophobicContact CB-CD1 4.49Å; E350-I357 HydrophobicContact CB-CG1 3.96Å; E350-I357 PolarHBondContact N-O 3.36Å; E350-I357 PolarHBondContact O-N 2.86Å; E350-K359 HydrophobicContact CB-CG 3.95Å; E350-K359 WeakPolarHBondContact OE2-CE 3.27Å; E350-K359 IonicContact OE2-NZ 2.67Å; E350-K359 PolarHBondContact OE2-NZ 2.75Å; E350-K648 IonicContact OE1-NZ 2.82Å; E350-K648 PolarHBondContact OE1-NZ 3.38Å |
| 351 | V | 73.7 | Confident | 76.4 | Confident | 36 Ų | 36 | 40 Ų | 40 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 112.9 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | I356 F649 P661 I662 | V351-I356 HydrophobicContact CG1-CG1 4.28Å; V351-I356 HydrophobicContact CG2-CG1 4.38Å; V351-F649 HydrophobicContact CG2-CB 4.05Å; V351-P661 HydrophobicContact CG1-CG 4.49Å; V351-P661 HydrophobicContact CG2-CG 3.71Å; V351-I662 HydrophobicContact CG1-CG1 4.27Å |
| 352 | L | 69.7 | Low | 76.4 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.12 | 18% | 0.176 | C | C | . | . | trans | -90 | 175.8 | 171.1 | -52.8 | -179.1 | 0 | 0 | 0 | 109.9 | Q320 E350 D354 S355 I357 L394 | Q320-L352 HydrophobicContact CB-CD2 4.45Å; Q320-L352 HydrophobicContact CG-CD2 3.91Å; Q320-L352 VanDerWaalsContact NE2-CD2 3.32Å; E350-L352 HydrophobicContact CG-CD2 3.92Å; L352-D354 VanDerWaalsContact C-N 3.26Å; L352-D354 PolarHBondContact O-N 3.45Å; L352-S355 CarbonylContact C-O 3.59Å; L352-S355 WeakPolarHBondContact CA-O 3.38Å; L352-S355 VanDerWaalsContact CB-O 3.31Å; L352-S355 WeakPolarHBondContact CB-O 3.46Å; L352-S355 PolarHBondContact N-O 3.38Å; L352-I357 HydrophobicContact CD1-CD1 4.08Å; L352-I357 HydrophobicContact CD1-CG1 4.23Å; L352-I357 HydrophobicContact CD1-CG2 3.88Å; L352-I357 HydrophobicContact CD2-CD1 4.4Å; L352-I357 HydrophobicContact CG-CD1 4.44Å; L352-I357 HydrophobicContact CG-CG1 4.32Å; L352-L394 HydrophobicContact CD1-CD2 3.91Å | ||
| 353 | I | 63.6 | Low | 76.8 | Confident | 144 Ų | 144 | 33.3 Ų | 33.3 | 74% | 0.738 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -61.8 | -34.4 | -178.4 | -62.5 | 169.1 | 0 | 0 | 0 | 112 | M509 I662 | I353-M509 WeakPolarHBondContact O-CE 3.43Å; I353-I662 VanDerWaalsContact O-CG2 3.23Å; I353-I662 WeakPolarHBondContact O-CG2 3.14Å |
| 354 | D | 70.4 | Confident | 77 | Confident | 42 Ų | 42 | 32.2 Ų | 32.2 | 23% | 0.225 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -126.2 | -2.1 | -173.3 | 69.7 | -13.1 | 0 | 0 | 0 | 113.7 | L352 S506 Y507 | L352-D354 VanDerWaalsContact C-N 3.26Å; L352-D354 PolarHBondContact O-N 3.45Å; D354-S506 CarbonylContact O-C 3.54Å; D354-S506 WeakPolarHBondContact O-CA 3.48Å; D354-Y507 PolarHBondContact O-N 2.84Å |
| 355 | S | 80.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -159.7 | 169.7 | -170.5 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | L352 T505 | L352-S355 CarbonylContact C-O 3.59Å; L352-S355 WeakPolarHBondContact CA-O 3.38Å; L352-S355 VanDerWaalsContact CB-O 3.31Å; L352-S355 WeakPolarHBondContact CB-O 3.46Å; L352-S355 PolarHBondContact N-O 3.38Å; S355-T505 WeakPolarHBondContact CB-O 3.24Å | ||
| 356 | I | 80.5 | Confident | 77.7 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.2 | 175.8 | -62.8 | 165.1 | 0 | 0 | 0 | 107.5 | E349 E350 V351 Y484 V660 P661 I662 | E349-I356 HydrophobicContact CB-CG2 4.01Å; E349-I356 HydrophobicContact CG-CG2 4.39Å; E350-I356 WeakPolarHBondContact O-CA 3.48Å; V351-I356 HydrophobicContact CG1-CG1 4.28Å; V351-I356 HydrophobicContact CG2-CG1 4.38Å; I356-Y484 HydrophobicContact CB-CE1 4.46Å; I356-Y484 HydrophobicContact CD1-CE1 4.03Å; I356-Y484 WeakPolarHBondContact CD1-OH 3.07Å; I356-V660 HydrophobicContact CD1-CG1 3.86Å; I356-P661 HydrophobicContact CD1-CG 4.11Å; I356-I662 HydrophobicContact CD1-CD1 4.31Å; I356-I662 HydrophobicContact CD1-CG1 3.95Å; I356-I662 HydrophobicContact CG1-CD1 4.1Å; I356-I662 HydrophobicContact CG1-CG1 3.81Å |
| 357 | I | 83.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.9 | -178.6 | 61.9 | 170.3 | 0 | 0 | 0 | 110.5 | Q320 E349 E350 L352 K359 L394 | Q320-I357 HydrophobicContact CB-CD1 4.16Å; Q320-I357 HydrophobicContact CG-CD1 4.2Å; E349-I357 CarbonylContact C-O 3.57Å; E349-I357 VanDerWaalsContact CA-O 3.32Å; E349-I357 WeakPolarHBondContact CA-O 3.3Å; E350-I357 HydrophobicContact CB-CD1 4.49Å; E350-I357 HydrophobicContact CB-CG1 3.96Å; E350-I357 PolarHBondContact N-O 3.36Å; E350-I357 PolarHBondContact O-N 2.86Å; L352-I357 HydrophobicContact CD1-CD1 4.08Å; L352-I357 HydrophobicContact CD1-CG1 4.23Å; L352-I357 HydrophobicContact CD1-CG2 3.88Å; L352-I357 HydrophobicContact CD2-CD1 4.4Å; L352-I357 HydrophobicContact CG-CD1 4.44Å; L352-I357 HydrophobicContact CG-CG1 4.32Å; I357-K359 HydrophobicContact CD1-CD 4.16Å; I357-K359 HydrophobicContact CD1-CG 4.44Å; I357-K359 HydrophobicContact CG1-CG 4.48Å; I357-K359 PolarHBondContact O-N 3.48Å; I357-L394 HydrophobicContact CG2-CD1 4Å; I357-L394 HydrophobicContact CG2-CD2 3.81Å; I357-L394 HydrophobicContact CG2-CG 4.25Å |
| 358 | T | 84.8 | Confident | 78.5 | Confident | 15 Ų | 15 | 26.4 Ų | 26.4 | 9% | 0.092 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 109.6 | 172.3 | -54.5 | 0 | 0 | 0 | 0 | 108.1 | T323 I324 T347 Q348 I361 | T323-T358 PolarHBondContact OG1-N 2.99Å; I324-T358 HydrophobicContact CB-CG2 4.4Å; I324-T358 WeakPolarHBondContact CG1-O 3.27Å; I324-T358 PolarHBondContact N-O 2.86Å; I324-T358 VanDerWaalsContact O-CB 3.29Å; I324-T358 WeakPolarHBondContact O-CB 3.47Å; T347-T358 HydrophobicContact CG2-CG2 4.44Å; Q348-T358 CarbonylContact O-C 3.59Å; Q348-T358 WeakPolarHBondContact O-CA 3.42Å; T358-I361 HydrophobicContact CG2-CD1 4.1Å; T358-I361 HydrophobicContact CG2-CG1 3.62Å |
| 359 | K | 77.4 | Confident | 78.8 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -31 | -178.3 | -78.4 | -75.9 | -161.2 | 158.4 | 0 | 113.2 | Y316 S317 G319 I324 Q348 E350 I357 D805 | Y316-K359 CarbonylContact C-O 3.39Å; Y316-K359 WeakPolarHBondContact CA-O 3.23Å; S317-K359 PolarHBondContact N-O 3.15Å; G319-K359 WeakPolarHBondContact O-CE 3.45Å; G319-K359 PolarHBondContact O-NZ 2.78Å; I324-K359 VanDerWaalsContact CD1-O 3.29Å; I324-K359 WeakPolarHBondContact CD1-O 3.36Å; Q348-K359 PolarHBondContact O-N 3.39Å; E350-K359 HydrophobicContact CB-CG 3.95Å; E350-K359 WeakPolarHBondContact OE2-CE 3.27Å; E350-K359 IonicContact OE2-NZ 2.67Å; E350-K359 PolarHBondContact OE2-NZ 2.75Å; I357-K359 HydrophobicContact CD1-CD 4.16Å; I357-K359 HydrophobicContact CD1-CG 4.44Å; I357-K359 HydrophobicContact CG1-CG 4.48Å; I357-K359 PolarHBondContact O-N 3.48Å; K359-D805 IonicContact NZ-OD2 2.75Å; K359-D805 PolarHBondContact NZ-OD2 3.4Å |
| 360 | R | 79.3 | Confident | 78.8 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 9% | 0.087 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 143.9 | -177.8 | -167.2 | 173.4 | 80.1 | -163.3 | 3.6 | 110.8 | V315 Q348 D362 E847 | V315-R360 CarbonylContact O-C 3.5Å; V315-R360 VanDerWaalsContact O-CA 3.26Å; V315-R360 WeakPolarHBondContact O-CA 3.14Å; V315-R360 WeakPolarHBondContact O-CG 3.43Å; Q348-R360 HydrophobicContact CB-CB 3.95Å; Q348-R360 PolarHBondContact N-O 3.31Å; Q348-R360 PolarHBondContact O-N 2.82Å; R360-D362 WeakPolarHBondContact CD-OD1 3.39Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 VanDerWaalsContact CZ-OD2 3.24Å; R360-D362 IonicContact NE-OD1 2.76Å; R360-D362 PolarHBondContact NE-OD1 3.02Å; R360-D362 IonicContact NE-OD2 3.42Å; R360-D362 PolarHBondContact NE-OD2 3.49Å; R360-D362 IonicContact NH2-OD2 3.97Å; R360-D362 PolarHBondContact NH2-OD2 3.24Å; R360-E847 IonicContact CZ-OE2 3.73Å; R360-E847 IonicContact NH1-OE1 2.86Å; R360-E847 PolarHBondContact NH1-OE1 2.86Å; R360-E847 IonicContact NH1-OE2 2.79Å; R360-E847 PolarHBondContact NH1-OE2 3.43Å |
| 361 | I | 83.7 | Confident | 78.4 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.2 | 167.7 | -56.8 | -173.8 | 0 | 0 | 0 | 107.5 | S314 V315 I324 L327 K345 T346 T347 T358 | S314-I361 WeakPolarHBondContact CA-O 3.45Å; V315-I361 HydrophobicContact CG1-CB 4.11Å; V315-I361 PolarHBondContact N-O 2.89Å; V315-I361 PolarHBondContact O-N 3.26Å; I324-I361 HydrophobicContact CB-CD1 4.26Å; I324-I361 HydrophobicContact CB-CG1 4.34Å; I324-I361 HydrophobicContact CG2-CD1 3.58Å; I324-I361 HydrophobicContact CG2-CG1 3.89Å; L327-I361 HydrophobicContact CB-CB 4.2Å; L327-I361 HydrophobicContact CB-CD1 4.36Å; L327-I361 HydrophobicContact CB-CG2 3.92Å; L327-I361 HydrophobicContact CD2-CG2 4.32Å; K345-I361 HydrophobicContact CD-CG2 4.38Å; K345-I361 VanDerWaalsContact CE-CG2 3.44Å; K345-I361 HydrophobicContact CG-CG2 4.14Å; T346-I361 WeakPolarHBondContact O-CA 3.36Å; T347-I361 HydrophobicContact CG2-CG1 4.17Å; T347-I361 HydrophobicContact CG2-CG2 4.48Å; T358-I361 HydrophobicContact CG2-CD1 4.1Å; T358-I361 HydrophobicContact CG2-CG1 3.62Å |
| 362 | D | 79.7 | Confident | 78.1 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.9 | 175.9 | -56.6 | -46.2 | 0 | 0 | 0 | 108.9 | T312 F313 S314 K345 T346 R360 | T312-D362 HydrophobicContact CG2-CB 4.13Å; F313-D362 CarbonylContact O-C 3.49Å; F313-D362 WeakPolarHBondContact O-CA 3.38Å; S314-D362 WeakPolarHBondContact CB-OD1 3.45Å; S314-D362 PolarHBondContact OG-OD1 3.49Å; K345-D362 CarbonylContact C-O 3.32Å; K345-D362 VanDerWaalsContact CA-O 3.32Å; K345-D362 WeakPolarHBondContact CA-O 3.41Å; T346-D362 PolarHBondContact N-O 3.36Å; T346-D362 PolarHBondContact O-N 3.07Å; R360-D362 WeakPolarHBondContact CD-OD1 3.39Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 VanDerWaalsContact CZ-OD2 3.24Å; R360-D362 IonicContact NE-OD1 2.76Å; R360-D362 PolarHBondContact NE-OD1 3.02Å; R360-D362 IonicContact NE-OD2 3.42Å; R360-D362 PolarHBondContact NE-OD2 3.49Å; R360-D362 IonicContact NH2-OD2 3.97Å; R360-D362 PolarHBondContact NH2-OD2 3.24Å |
| 363 | I | 85.4 | Confident | 77.8 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 106.5 | 171.1 | -58.3 | 174.2 | 0 | 0 | 0 | 107.2 | T312 F313 L327 L329 V343 R344 K345 V365 | T312-I363 WeakPolarHBondContact CA-O 3.43Å; F313-I363 PolarHBondContact N-O 2.03Å; F313-I363 PolarHBondContact O-N 3.36Å; L327-I363 HydrophobicContact CB-CD1 4.26Å; L327-I363 HydrophobicContact CD2-CD1 3.67Å; L327-I363 HydrophobicContact CD2-CG1 3.96Å; L327-I363 HydrophobicContact CG-CD1 3.76Å; L329-I363 HydrophobicContact CD1-CB 4.32Å; L329-I363 HydrophobicContact CD1-CD1 4.29Å; L329-I363 HydrophobicContact CD1-CG2 3.71Å; L329-I363 HydrophobicContact CD2-CD1 4.15Å; L329-I363 HydrophobicContact CG-CD1 3.91Å; L329-I363 HydrophobicContact CG-CG2 4.48Å; V343-I363 HydrophobicContact CG1-CG2 3.75Å; R344-I363 CarbonylContact O-C 3.53Å; R344-I363 WeakPolarHBondContact O-CA 3.22Å; K345-I363 HydrophobicContact CD-CG1 4.3Å; K345-I363 HydrophobicContact CG-CG1 4.12Å; I363-V365 HydrophobicContact CG2-CG2 3.93Å |
| 364 | Y | 82 | Confident | 77.5 | Confident | 67 Ų | 67 | 23.2 Ų | 23.2 | 26% | 0.263 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130 | 170.9 | 179.5 | -103.7 | 0 | 0 | 0 | 109.6 | N310 Y311 V343 R344 E366 | N310-Y364 HydrophobicContact CB-CE2 4.18Å; N310-Y364 PolarHBondContact ND2-OH 2.98Å; Y311-Y364 CarbonylContact O-C 3.56Å; Y311-Y364 WeakPolarHBondContact O-CA 3.44Å; V343-Y364 CarbonylContact C-O 3.5Å; V343-Y364 WeakPolarHBondContact CA-O 3.48Å; R344-Y364 PolarHBondContact N-O 3.1Å; R344-Y364 PolarHBondContact O-N 2.82Å; Y364-E366 HydrophobicContact CE1-CB 3.81Å; Y364-E366 HydrophobicContact CE1-CG 4.22Å |
| 365 | V | 84.6 | Confident | 76.8 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 113.3 | 179.3 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | N310 Y311 F313 L329 A340 V343 I363 L368 | N310-V365 WeakPolarHBondContact CA-O 3.49Å; Y311-V365 PolarHBondContact N-O 2.82Å; Y311-V365 PolarHBondContact O-N 2.64Å; F313-V365 HydrophobicContact CD2-CG2 4.11Å; F313-V365 HydrophobicContact CE2-CB 4.5Å; F313-V365 HydrophobicContact CE2-CG2 3.98Å; L329-V365 HydrophobicContact CD1-CG2 3.98Å; A340-V365 HydrophobicContact CB-CG1 3.4Å; V343-V365 HydrophobicContact CG1-CG2 4.46Å; V343-V365 HydrophobicContact CG2-CG1 4.26Å; I363-V365 HydrophobicContact CG2-CG2 3.93Å; V365-L368 HydrophobicContact CB-CB 4.45Å; V365-L368 HydrophobicContact CG1-CB 3.76Å; V365-L368 HydrophobicContact CG1-CD1 4.06Å; V365-L368 HydrophobicContact CG1-CD2 4.37Å; V365-L368 HydrophobicContact CG1-CG 4.25Å |
| 366 | E | 81.9 | Confident | 75.7 | Confident | 38 Ų | 38 | 23.7 Ų | 23.7 | 18% | 0.178 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133 | 179.2 | -159.9 | -169.9 | 163.6 | 0 | 0 | 110.2 | N310 K341 S342 Y364 L368 | N310-E366 WeakPolarHBondContact OD1-CA 3.32Å; K341-E366 HydrophobicContact CD-CG 4.49Å; K341-E366 WeakPolarHBondContact CE-OE1 3.32Å; K341-E366 PolarHBondContact N-O 3.17Å; K341-E366 IonicContact NZ-OE1 2.7Å; K341-E366 PolarHBondContact NZ-OE1 2.69Å; S342-E366 PolarHBondContact O-N 3.25Å; S342-E366 WeakPolarHBondContact OG-CB 3.1Å; S342-E366 PolarHBondContact OG-OE2 3.29Å; Y364-E366 HydrophobicContact CE1-CB 3.81Å; Y364-E366 HydrophobicContact CE1-CG 4.22Å; E366-L368 PolarHBondContact O-N 2.85Å |
| 367 | E | 80.8 | Confident | 74.4 | Confident | 55 Ų | 55 | 25.9 Ų | 25.9 | 26% | 0.257 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54 | 50.2 | 179.3 | -62.7 | -176.1 | -153.2 | 0 | 0 | 112.3 | K308 N310 K341 H369 | K308-E367 VanDerWaalsContact CE-CG 3.42Å; K308-E367 WeakPolarHBondContact CE-OE2 3.23Å; K308-E367 IonicContact NZ-OE2 2.66Å; K308-E367 PolarHBondContact NZ-OE2 3.24Å; N310-E367 PolarHBondContact OD1-N 3.14Å; K341-E367 HydrophobicContact CB-CB 3.95Å; K341-E367 HydrophobicContact CB-CG 4.34Å; K341-E367 HydrophobicContact CD-CG 4.09Å; K341-E367 WeakPolarHBondContact CD-OE1 3.17Å; K341-E367 IonicContact NZ-OE1 3.66Å; K341-E367 PolarHBondContact NZ-OE1 3.22Å; E367-H369 PolarHBondContact O-CD2 2.74Å; E367-H369 PolarHBondContact O-N 2.65Å |
| 368 | L | 82.4 | Confident | 73.3 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 115.1 | 175.6 | -179.4 | 59.2 | 0 | 0 | 0 | 109.9 | L304 K308 D309 Y311 F313 F335 V365 E366 I385 | L304-L368 HydrophobicContact CD1-CD2 4.42Å; K308-L368 WeakPolarHBondContact CA-O 3.43Å; D309-L368 PolarHBondContact N-O 3.26Å; D309-L368 PolarHBondContact O-N 2.85Å; Y311-L368 HydrophobicContact CD2-CB 3.91Å; Y311-L368 HydrophobicContact CD2-CD2 3.74Å; Y311-L368 HydrophobicContact CD2-CG 4.36Å; Y311-L368 HydrophobicContact CE2-CB 4.23Å; Y311-L368 HydrophobicContact CE2-CD2 4.14Å; F313-L368 HydrophobicContact CE2-CD2 4.22Å; F313-L368 HydrophobicContact CZ-CD2 4.14Å; F335-L368 HydrophobicContact CD1-CD1 3.72Å; F335-L368 HydrophobicContact CD1-CD2 4.01Å; F335-L368 HydrophobicContact CD1-CG 3.69Å; F335-L368 HydrophobicContact CE1-CD1 4.42Å; F335-L368 HydrophobicContact CE1-CD2 3.95Å; F335-L368 HydrophobicContact CE1-CG 3.88Å; V365-L368 HydrophobicContact CB-CB 4.45Å; V365-L368 HydrophobicContact CG1-CB 3.76Å; V365-L368 HydrophobicContact CG1-CD1 4.06Å; V365-L368 HydrophobicContact CG1-CD2 4.37Å; V365-L368 HydrophobicContact CG1-CG 4.25Å; E366-L368 PolarHBondContact O-N 2.85Å; L368-I385 HydrophobicContact CD2-CD1 3.35Å; L368-I385 HydrophobicContact CG-CD1 4.46Å |
| 369 | H | 78 | Confident | 72.3 | Confident | 49 Ų | 49 | 29.2 Ų | 29.2 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.5 | -177.2 | -65.1 | -174.8 | 0 | 0 | 0 | 112.1 | L307 K308 F335 H338 E367 | L307-H369 CarbonylContact O-C 3.48Å; L307-H369 WeakPolarHBondContact O-CA 3.27Å; K308-H369 WeakPolarHBondContact CD-NE2 3.33Å; K308-H369 WeakPolarHBondContact CE-NE2 3.38Å; K308-H369 PolarHBondContact NZ-NE2 3.42Å; F335-H369 WeakPolarHBondContact CD1-O 3.12Å; H338-H369 HydrophobicContact CB-CB 3.89Å; H338-H369 AromaticContact CD2-ND1 3.79Å; H338-H369 AromaticContact CG-ND1 3.83Å; E367-H369 PolarHBondContact O-CD2 2.74Å; E367-H369 PolarHBondContact O-N 2.65Å |
| 370 | N | 78.8 | Confident | 72.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -104.4 | 102.6 | 166.5 | -169.3 | -11 | 0 | 0 | 0 | 110.1 | L304 I306 L307 G334 F335 Y372 G373 | L304-N370 PolarHBondContact O-ND2 2.92Å; I306-N370 VanDerWaalsContact O-CB 3.24Å; I306-N370 WeakPolarHBondContact O-CB 3.17Å; L307-N370 WeakPolarHBondContact CD2-O 3.5Å; L307-N370 PolarHBondContact O-N 2.94Å; G334-N370 WeakPolarHBondContact CA-OD1 3.33Å; G334-N370 CarbonylContact O-C 3.58Å; G334-N370 WeakPolarHBondContact O-CA 3.22Å; F335-N370 HydrophobicContact CD1-CB 4Å; F335-N370 HydrophobicContact CE1-CB 3.39Å; F335-N370 HydrophobicContact CE2-CB 4.33Å; F335-N370 HydrophobicContact CZ-CB 3.54Å; F335-N370 WeakPolarHBondContact CZ-ND2 3.41Å; N370-Y372 PolarHBondContact O-N 2.94Å; N370-Y372 VanDerWaalsContact O-N 3.09Å; N370-Y372 WeakPolarHBondContact OD1-CA 3.38Å; N370-Y372 WeakPolarHBondContact OD1-CB 3.5Å; N370-Y372 PolarHBondContact OD1-N 2.9Å; N370-G373 WeakPolarHBondContact ND2-CA 3.36Å; N370-G373 PolarHBondContact O-N 2.75Å; N370-G373 PolarHBondContact OD1-N 2.85Å | ||
| 371 | I | 67.1 | Low | 72 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 17% | 0.174 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.9 | 177.2 | 62.1 | 163.8 | 0 | 0 | 0 | 112.9 | G334 K337 | G334-I371 WeakPolarHBondContact O-CG1 3.23Å; G334-I371 PolarHBondContact O-N 2.86Å; K337-I371 HydrophobicContact CB-CD1 4.09Å; K337-I371 HydrophobicContact CB-CG2 4.14Å; K337-I371 HydrophobicContact CD-CD1 3.9Å; K337-I371 HydrophobicContact CD-CG2 4.25Å |
| 372 | Y | 66 | Low | 71.6 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 22% | 0.216 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 5.1 | 177.7 | -57.2 | -30.8 | 0 | 0 | 0 | 113.3 | E333 N370 L374 L375 A378 K383 | E333-Y372 HydrophobicContact CB-CE2 3.81Å; N370-Y372 PolarHBondContact O-N 2.94Å; N370-Y372 VanDerWaalsContact O-N 3.09Å; N370-Y372 WeakPolarHBondContact OD1-CA 3.38Å; N370-Y372 WeakPolarHBondContact OD1-CB 3.5Å; N370-Y372 PolarHBondContact OD1-N 2.9Å; Y372-L374 PolarHBondContact O-N 2.94Å; Y372-L375 HydrophobicContact CD1-CD1 3.51Å; Y372-L375 HydrophobicContact CE1-CD1 4.19Å; Y372-L375 HydrophobicContact CG-CD1 4.41Å; Y372-L375 PolarHBondContact O-N 2.96Å; Y372-A378 HydrophobicContact CD1-CB 4.35Å; Y372-A378 HydrophobicContact CD2-CB 4.01Å; Y372-A378 HydrophobicContact CG-CB 3.78Å; Y372-K383 VanDerWaalsContact O-CE 3.22Å; Y372-K383 WeakPolarHBondContact O-CE 3.47Å |
| 373 | G | 64.2 | Low | 71.5 | Confident | 7 Ų | 7 | 41 Ų | 41 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | P305 N370 | P305-G373 CarbonylContact C-O 3.59Å; N370-G373 WeakPolarHBondContact ND2-CA 3.36Å; N370-G373 PolarHBondContact O-N 2.75Å; N370-G373 PolarHBondContact OD1-N 2.85Å |
| 374 | L | 57.4 | Low | 71.5 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -11.6 | 178.9 | -54.1 | 166.3 | 0 | 0 | 0 | 114.2 | G134 A136 L307 Y372 Y376 | G134-L374 VanDerWaalsContact C-CD1 3.41Å; G134-L374 WeakPolarHBondContact O-CD1 3.27Å; A136-L374 HydrophobicContact CB-CB 3.92Å; L307-L374 HydrophobicContact CD1-CD1 3.2Å; L307-L374 HydrophobicContact CD1-CD2 4.02Å; L307-L374 HydrophobicContact CD1-CG 3.72Å; L307-L374 HydrophobicContact CD2-CD1 3.69Å; L307-L374 HydrophobicContact CD2-CG 3.86Å; L307-L374 HydrophobicContact CG-CD1 3.49Å; L307-L374 VanDerWaalsContact CG-CD1 3.49Å; L307-L374 HydrophobicContact CG-CD2 3.97Å; L307-L374 HydrophobicContact CG-CG 3.5Å; L307-L374 VanDerWaalsContact CG-CG 3.5Å; Y372-L374 PolarHBondContact O-N 2.94Å; L374-Y376 PolarHBondContact O-N 2.87Å |
| 375 | L | 56.2 | Low | 71.9 | Confident | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 95.3 | -173.8 | -72.6 | 172.3 | 0 | 0 | 0 | 110.3 | A136 Y171 A234 Y372 H377 A378 K383 | A136-L375 HydrophobicContact CB-CD2 3.6Å; A136-L375 HydrophobicContact CB-CG 4.3Å; Y171-L375 HydrophobicContact CD1-CD1 4.25Å; Y171-L375 HydrophobicContact CD2-CD1 3.66Å; Y171-L375 HydrophobicContact CD2-CD2 3.41Å; Y171-L375 VanDerWaalsContact CD2-CD2 3.41Å; Y171-L375 HydrophobicContact CD2-CG 4.11Å; Y171-L375 HydrophobicContact CE1-CD1 3.91Å; Y171-L375 HydrophobicContact CE2-CD1 3.25Å; Y171-L375 HydrophobicContact CE2-CD2 3.51Å; Y171-L375 HydrophobicContact CE2-CG 3.78Å; Y171-L375 HydrophobicContact CG-CD1 4.14Å; Y171-L375 HydrophobicContact CG-CD2 4.33Å; A234-L375 HydrophobicContact CB-CD2 3.88Å; Y372-L375 HydrophobicContact CD1-CD1 3.51Å; Y372-L375 HydrophobicContact CE1-CD1 4.19Å; Y372-L375 HydrophobicContact CG-CD1 4.41Å; Y372-L375 PolarHBondContact O-N 2.96Å; L375-H377 PolarHBondContact O-N 3.08Å; L375-A378 HydrophobicContact CB-CB 4.27Å; L375-A378 PolarHBondContact O-N 3.01Å; L375-K383 WeakPolarHBondContact O-CE 3.45Å; L375-K383 PolarHBondContact O-NZ 2.85Å |
| 376 | Y | 56 | Low | 72.2 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.1 | -176 | -77.7 | -89.3 | 0 | 0 | 0 | 114.5 | I125 Q135 L277 L374 K383 | I125-Y376 HydrophobicContact CB-CD1 4.25Å; I125-Y376 HydrophobicContact CD1-CD1 3.98Å; I125-Y376 HydrophobicContact CG1-CD1 4Å; Q135-Y376 HydrophobicContact CG-CE2 4.5Å; Q135-Y376 PolarHBondContact NE2-OH 3Å; L277-Y376 HydrophobicContact CD1-CD1 4.08Å; L277-Y376 HydrophobicContact CD1-CE1 3.64Å; L277-Y376 HydrophobicContact CD2-CE1 4.44Å; L277-Y376 HydrophobicContact CG-CE1 4.04Å; L374-Y376 PolarHBondContact O-N 2.87Å; Y376-K383 PolarHBondContact O-NZ 2.98Å |
| 377 | H | 53.5 | Low | 72.7 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -22.2 | -173.5 | -57.9 | 9.4 | 0 | 0 | 0 | 115.2 | E123 S138 L375 S379 | E123-H377 WeakPolarHBondContact CB-CE1 3.3Å; E123-H377 WeakPolarHBondContact CB-NE2 3.38Å; E123-H377 PolarHBondContact O-CE1 2.83Å; E123-H377 IonicContact OE2-CD2 3.04Å; E123-H377 PolarHBondContact OE2-CD2 3.46Å; E123-H377 IonicContact OE2-CE1 2.79Å; E123-H377 IonicContact OE2-NE2 3.05Å; E123-H377 PolarHBondContact OE2-NE2 2.9Å; S138-H377 WeakPolarHBondContact CB-CD2 3.4Å; S138-H377 WeakPolarHBondContact CB-CE1 3.19Å; S138-H377 WeakPolarHBondContact CB-NE2 3.39Å; S138-H377 PolarHBondContact OG-CD2 3.37Å; S138-H377 PolarHBondContact OG-NE2 2.88Å; L375-H377 PolarHBondContact O-N 3.08Å; H377-S379 PolarHBondContact O-N 3.32Å |
| 378 | A | 60.5 | Low | 73.3 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -58.9 | 131.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y372 L375 S382 K383 | Y372-A378 HydrophobicContact CD1-CB 4.35Å; Y372-A378 HydrophobicContact CD2-CB 4.01Å; Y372-A378 HydrophobicContact CG-CB 3.78Å; L375-A378 HydrophobicContact CB-CB 4.27Å; L375-A378 PolarHBondContact O-N 3.01Å; A378-S382 WeakPolarHBondContact CB-OG 3.43Å; A378-K383 VanDerWaalsContact O-CE 3.23Å; A378-K383 WeakPolarHBondContact O-CE 3.47Å; A378-K383 PolarHBondContact O-NZ 3.31Å |
| 379 | S | 63.2 | Low | 73.7 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 45% | 0.448 | 18% | 0.181 | S | C | . | . | trans | -52.3 | 148.2 | -171.3 | 69.9 | 0 | 0 | 0 | 0 | 110 | H377 E381 S382 K383 | H377-S379 PolarHBondContact O-N 3.32Å; S379-E381 PolarHBondContact O-N 2.89Å; S379-E381 VanDerWaalsContact O-N 3.13Å; S379-S382 PolarHBondContact N-OG 2.9Å; S379-S382 WeakPolarHBondContact O-CB 3.21Å; S379-S382 PolarHBondContact O-N 2.77Å; S379-S382 PolarHBondContact O-OG 2.93Å; S379-S382 WeakPolarHBondContact OG-CB 3.41Å; S379-S382 PolarHBondContact OG-N 3.34Å; S379-S382 VanDerWaalsContact OG-N 3.15Å; S379-K383 PolarHBondContact O-N 3.29Å | ||
| 380 | R | 73.3 | Confident | 74.4 | Confident | 125 Ų | 125 | 35.9 Ų | 35.9 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -41.2 | 177.7 | -173.8 | 176.2 | 175 | 142.6 | 5.9 | 111 | E280 F303 S382 K383 T384 | E280-R380 IonicContact OE2-CZ 3.22Å; E280-R380 IonicContact OE2-NH1 3.62Å; E280-R380 PolarHBondContact OE2-NH1 3.3Å; E280-R380 IonicContact OE2-NH2 2.92Å; E280-R380 PolarHBondContact OE2-NH2 3.06Å; F303-R380 HydrophobicContact CD2-CG 3.7Å; F303-R380 HydrophobicContact CE2-CG 3.92Å; F303-R380 HydrophobicContact CG-CG 4.49Å; R380-S382 PolarHBondContact O-N 3.42Å; R380-K383 CarbonylContact O-C 3.53Å; R380-K383 PolarHBondContact O-N 2.91Å; R380-K383 VanDerWaalsContact O-N 3.17Å; R380-T384 WeakPolarHBondContact O-CB 3.28Å; R380-T384 PolarHBondContact O-N 2.97Å; R380-T384 PolarHBondContact O-OG1 3.26Å |
| 381 | E | 76.7 | Confident | 74.9 | Confident | 162 Ų | 162 | 35.9 Ų | 35.9 | 76% | 0.757 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -59.1 | -41.3 | 176.7 | -62.3 | 179.3 | 175.6 | 0 | 0 | 113.3 | S379 K383 T384 | S379-E381 PolarHBondContact O-N 2.89Å; S379-E381 VanDerWaalsContact O-N 3.13Å; E381-K383 PolarHBondContact O-N 2.8Å; E381-T384 PolarHBondContact O-N 2.83Å; E381-T384 VanDerWaalsContact O-N 3.09Å |
| 382 | S | 76.5 | Confident | 76 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.7 | -23.5 | 178 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | G332 G334 A378 S379 R380 | G332-S382 CarbonylContact C-O 3.59Å; G334-S382 WeakPolarHBondContact CA-O 3.41Å; G334-S382 PolarHBondContact N-O 3.47Å; A378-S382 WeakPolarHBondContact CB-OG 3.43Å; S379-S382 PolarHBondContact N-OG 2.9Å; S379-S382 WeakPolarHBondContact O-CB 3.21Å; S379-S382 PolarHBondContact O-N 2.77Å; S379-S382 PolarHBondContact O-OG 2.93Å; S379-S382 WeakPolarHBondContact OG-CB 3.41Å; S379-S382 PolarHBondContact OG-N 3.34Å; S379-S382 VanDerWaalsContact OG-N 3.15Å; R380-S382 PolarHBondContact O-N 3.42Å |
| 383 | K | 77.7 | Confident | 76.9 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -105.2 | 9 | 177.5 | -56 | 177.4 | -160.9 | 157.7 | 0 | 113 | F303 L304 Y372 L375 Y376 A378 S379 R380 E381 | F303-K383 HydrophobicContact CD2-CB 4.14Å; F303-K383 HydrophobicContact CE2-CB 3.78Å; F303-K383 HydrophobicContact CE2-CD 3.92Å; F303-K383 HydrophobicContact CE2-CG 4.49Å; F303-K383 HydrophobicContact CZ-CD 4.24Å; L304-K383 PolarHBondContact N-O 2.8Å; Y372-K383 VanDerWaalsContact O-CE 3.22Å; Y372-K383 WeakPolarHBondContact O-CE 3.47Å; L375-K383 WeakPolarHBondContact O-CE 3.45Å; L375-K383 PolarHBondContact O-NZ 2.85Å; Y376-K383 PolarHBondContact O-NZ 2.98Å; A378-K383 VanDerWaalsContact O-CE 3.23Å; A378-K383 WeakPolarHBondContact O-CE 3.47Å; A378-K383 PolarHBondContact O-NZ 3.31Å; S379-K383 PolarHBondContact O-N 3.29Å; R380-K383 CarbonylContact O-C 3.53Å; R380-K383 PolarHBondContact O-N 2.91Å; R380-K383 VanDerWaalsContact O-N 3.17Å; E381-K383 PolarHBondContact O-N 2.8Å |
| 384 | T | 84.9 | Confident | 77.7 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.3 | -179.7 | -77.4 | 0 | 0 | 0 | 0 | 109.9 | D301 V302 G332 R380 E381 | D301-T384 HydrophobicContact CB-CG2 3.7Å; V302-T384 CarbonylContact O-C 3.52Å; V302-T384 VanDerWaalsContact O-CA 3.23Å; V302-T384 WeakPolarHBondContact O-CA 3.4Å; G332-T384 WeakPolarHBondContact CA-O 3.18Å; G332-T384 PolarHBondContact N-O 2.93Å; R380-T384 WeakPolarHBondContact O-CB 3.28Å; R380-T384 PolarHBondContact O-N 2.97Å; R380-T384 PolarHBondContact O-OG1 3.26Å; E381-T384 PolarHBondContact O-N 2.83Å; E381-T384 VanDerWaalsContact O-N 3.09Å |
| 385 | I | 89.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.9 | 162 | -65 | -174 | 0 | 0 | 0 | 107 | V302 L304 F313 L329 E330 F335 L368 L387 | V302-I385 PolarHBondContact N-O 2.88Å; V302-I385 PolarHBondContact O-N 2.52Å; L304-I385 HydrophobicContact CD1-CB 4.27Å; L304-I385 HydrophobicContact CD1-CD1 3.64Å; L304-I385 HydrophobicContact CD1-CG1 3.91Å; F313-I385 HydrophobicContact CE2-CD1 4.49Å; F313-I385 HydrophobicContact CZ-CD1 3.95Å; L329-I385 HydrophobicContact CB-CG2 4.13Å; L329-I385 HydrophobicContact CD2-CG2 4.23Å; E330-I385 WeakPolarHBondContact O-CA 3.27Å; F335-I385 HydrophobicContact CD1-CD1 4.09Å; F335-I385 HydrophobicContact CD2-CD1 4.12Å; F335-I385 HydrophobicContact CD2-CG1 3.71Å; F335-I385 HydrophobicContact CE1-CD1 4.15Å; F335-I385 HydrophobicContact CE2-CD1 4.21Å; F335-I385 HydrophobicContact CE2-CG1 3.76Å; F335-I385 HydrophobicContact CG-CD1 4.07Å; F335-I385 HydrophobicContact CG-CG1 4.15Å; F335-I385 HydrophobicContact CZ-CD1 4.24Å; F335-I385 HydrophobicContact CZ-CG1 4.23Å; L368-I385 HydrophobicContact CD2-CD1 3.35Å; L368-I385 HydrophobicContact CG-CD1 4.46Å; I385-L387 HydrophobicContact CG2-CD2 4.16Å |
| 386 | K | 92.1 | Very high | 78.7 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 33% | 0.326 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.3 | 174.3 | 174.1 | -179 | -82.6 | 172 | 0 | 108.9 | A300 D301 E330 V388 | A300-K386 CarbonylContact O-C 3.59Å; D301-K386 VanDerWaalsContact OD1-CE 3.29Å; D301-K386 WeakPolarHBondContact OD1-CE 3.31Å; E330-K386 HydrophobicContact CB-CB 4.11Å; E330-K386 PolarHBondContact N-O 2.73Å; E330-K386 PolarHBondContact O-N 3.27Å; E330-K386 WeakPolarHBondContact OE2-CD 3.46Å; K386-V388 HydrophobicContact CD-CG2 4.1Å; K386-V388 HydrophobicContact CG-CG2 3.89Å |
| 387 | L | 92.9 | Very high | 79 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.5 | 172.2 | -51.6 | -177.4 | 0 | 0 | 0 | 107.8 | L281 T299 A300 V302 F313 L327 L329 I385 F405 | L281-L387 HydrophobicContact CD1-CD1 4.5Å; T299-L387 CarbonylContact C-O 3.54Å; T299-L387 VanDerWaalsContact CA-O 3.23Å; T299-L387 WeakPolarHBondContact CA-O 3.45Å; A300-L387 HydrophobicContact CB-CB 4.44Å; A300-L387 PolarHBondContact N-O 2.78Å; A300-L387 PolarHBondContact O-N 3.14Å; V302-L387 HydrophobicContact CG2-CD1 3.58Å; V302-L387 HydrophobicContact CG2-CD2 4.21Å; V302-L387 HydrophobicContact CG2-CG 3.71Å; F313-L387 HydrophobicContact CB-CD2 3.94Å; F313-L387 HydrophobicContact CD1-CD1 4.4Å; F313-L387 HydrophobicContact CD1-CD2 3.74Å; F313-L387 HydrophobicContact CG-CD2 3.97Å; L327-L387 HydrophobicContact CD1-CB 4.23Å; L329-L387 HydrophobicContact CD2-CD2 3.18Å; I385-L387 HydrophobicContact CG2-CD2 4.16Å; L387-F405 HydrophobicContact CB-CD1 3.86Å; L387-F405 HydrophobicContact CB-CE1 3.76Å; L387-F405 HydrophobicContact CD1-CB 4.38Å; L387-F405 HydrophobicContact CD1-CD1 3.62Å; L387-F405 HydrophobicContact CD1-CE1 4.38Å; L387-F405 HydrophobicContact CD1-CG 4.38Å; L387-F405 HydrophobicContact CG-CD1 4.39Å |
| 388 | V | 91.5 | Very high | 78.9 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 106.5 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 108 | I297 T299 L327 S328 E330 K386 Y390 | I297-V388 HydrophobicContact CG2-CG1 3.49Å; I297-V388 VanDerWaalsContact CG2-CG1 3.49Å; T299-V388 HydrophobicContact CG2-CG1 4.33Å; T299-V388 HydrophobicContact CG2-CG2 4.2Å; L327-V388 WeakPolarHBondContact CA-O 2.99Å; S328-V388 PolarHBondContact N-O 3.01Å; S328-V388 PolarHBondContact O-N 3.23Å; S328-V388 PolarHBondContact OG-O 2.99Å; E330-V388 HydrophobicContact CG-CG2 4.16Å; K386-V388 HydrophobicContact CD-CG2 4.1Å; K386-V388 HydrophobicContact CG-CG2 3.89Å; V388-Y390 HydrophobicContact CG1-CE2 3.73Å |
| 389 | A | 92 | Very high | 78.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I297 V298 V315 S326 L327 I391 F405 | I297-A389 WeakPolarHBondContact CA-O 3.48Å; V298-A389 PolarHBondContact N-O 3.39Å; V298-A389 PolarHBondContact O-N 3.32Å; V315-A389 HydrophobicContact CB-CB 4.35Å; V315-A389 HydrophobicContact CG1-CB 4.32Å; V315-A389 HydrophobicContact CG2-CB 3.8Å; S326-A389 WeakPolarHBondContact O-CA 3.06Å; L327-A389 HydrophobicContact CD1-CB 4.26Å; A389-I391 HydrophobicContact CB-CD1 4.12Å; A389-F405 HydrophobicContact CB-CE1 3.88Å; A389-F405 HydrophobicContact CB-CZ 3.74Å |
| 390 | Y | 91.7 | Very high | 78 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 9% | 0.086 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.6 | 175.2 | -67.3 | -96.5 | 0 | 0 | 0 | 108.2 | I297 A325 S326 V388 I498 | I297-Y390 HydrophobicContact CD1-CD1 4.42Å; I297-Y390 HydrophobicContact CD1-CE1 3.64Å; I297-Y390 HydrophobicContact CG1-CD1 3.89Å; I297-Y390 HydrophobicContact CG1-CE1 3.61Å; A325-Y390 PolarHBondContact N-O 2.9Å; S326-Y390 PolarHBondContact N-O 3.22Å; S326-Y390 PolarHBondContact O-N 2.73Å; V388-Y390 HydrophobicContact CG1-CE2 3.73Å; Y390-I498 HydrophobicContact CD1-CG2 4.39Å; Y390-I498 HydrophobicContact CD2-CD1 3.89Å; Y390-I498 HydrophobicContact CD2-CG1 4.33Å; Y390-I498 HydrophobicContact CE1-CG2 3.58Å; Y390-I498 HydrophobicContact CE2-CD1 3.85Å; Y390-I498 HydrophobicContact CE2-CG1 4.31Å; Y390-I498 HydrophobicContact CE2-CG2 3.79Å; Y390-I498 HydrophobicContact CG-CD1 4.46Å; Y390-I498 HydrophobicContact CG-CG1 4.46Å; Y390-I498 WeakPolarHBondContact OH-CG2 3.29Å |
| 391 | I | 90.2 | Very high | 77.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.2 | -173.7 | -54 | -58.2 | 0 | 0 | 0 | 108.1 | I295 T296 V298 A322 I324 A389 I393 I403 | I295-I391 WeakPolarHBondContact CA-O 3.27Å; T296-I391 HydrophobicContact CG2-CB 4.15Å; T296-I391 PolarHBondContact N-O 3.36Å; T296-I391 PolarHBondContact O-N 2.76Å; V298-I391 HydrophobicContact CB-CG1 4.38Å; V298-I391 HydrophobicContact CG2-CG1 3.84Å; A322-I391 HydrophobicContact CB-CG2 3.73Å; I324-I391 HydrophobicContact CB-CD1 4.33Å; I324-I391 HydrophobicContact CG1-CD1 3.96Å; I324-I391 HydrophobicContact CG2-CD1 4.14Å; A389-I391 HydrophobicContact CB-CD1 4.12Å; I391-I393 HydrophobicContact CG2-CD1 4.27Å; I391-I403 HydrophobicContact CD1-CD1 3.86Å; I391-I403 HydrophobicContact CD1-CG1 4.28Å; I391-I403 HydrophobicContact CD1-CG2 4.16Å; I391-I403 HydrophobicContact CG1-CD1 4.14Å; I391-I403 HydrophobicContact CG1-CG1 4.13Å; I391-I403 HydrophobicContact CG1-CG2 4.42Å; I391-I403 HydrophobicContact CG2-CD1 3.82Å; I391-I403 HydrophobicContact CG2-CG1 4.21Å |
| 392 | Q | 90.6 | Very high | 77 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.2 | 171.8 | -175.2 | 167.3 | 16.5 | 0 | 0 | 109.8 | D294 I295 A322 T323 M501 H504 Y522 | D294-Q392 WeakPolarHBondContact O-CA 3.33Å; I295-Q392 HydrophobicContact CG1-CB 3.97Å; I295-Q392 HydrophobicContact CG1-CG 3.69Å; A322-Q392 CarbonylContact C-O 3.11Å; A322-Q392 WeakPolarHBondContact CA-O 3.32Å; T323-Q392 HydrophobicContact CG2-CB 3.87Å; T323-Q392 PolarHBondContact N-O 3.18Å; T323-Q392 PolarHBondContact O-N 3.26Å; Q392-M501 HydrophobicContact CB-CE 4.5Å; Q392-H504 HydrophobicContact CG-CB 4.14Å; Q392-Y522 PolarHBondContact NE2-O 2.75Å |
| 393 | I | 85.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140 | 175.3 | -58.2 | -48.2 | 0 | 0 | 0 | 109.3 | M290 T293 D294 A322 I391 P397 V401 I423 | M290-I393 HydrophobicContact CB-CG1 4.1Å; M290-I393 HydrophobicContact CE-CD1 4.16Å; M290-I393 HydrophobicContact CG-CG1 4.46Å; M290-I393 HydrophobicContact SD-CD1 3.57Å; M290-I393 VanDerWaalsContact SD-CD1 3.57Å; M290-I393 HydrophobicContact SD-CG1 3.41Å; M290-I393 WeakPolarHBondContact SD-CG1 3.39Å; T293-I393 WeakPolarHBondContact CA-O 3.32Å; T293-I393 PolarHBondContact N-O 3.23Å; D294-I393 PolarHBondContact O-N 2.97Å; A322-I393 HydrophobicContact CB-CD1 3.89Å; I391-I393 HydrophobicContact CG2-CD1 4.27Å; I393-P397 HydrophobicContact CG2-CB 3.52Å; I393-P397 HydrophobicContact CG2-CG 3.55Å; I393-V401 HydrophobicContact CD1-CB 4.23Å; I393-V401 HydrophobicContact CD1-CG1 4.31Å; I393-V401 HydrophobicContact CD1-CG2 3.46Å; I393-V401 VanDerWaalsContact CD1-CG2 3.46Å; I393-I423 HydrophobicContact CG2-CD1 3.72Å; I393-I423 HydrophobicContact CG2-CG1 4.33Å |
| 394 | L | 80.7 | Confident | 77 | Confident | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 9% | 0.087 | C | C | . | . | trans | -65.7 | 164.7 | 176.2 | -79.5 | 91.4 | 0 | 0 | 0 | 111.3 | T293 Q320 S321 A322 L352 I357 R396 P397 | T293-L394 PolarHBondContact N-O 2.94Å; T293-L394 VanDerWaalsContact N-O 3.1Å; Q320-L394 WeakPolarHBondContact O-CD1 3.28Å; S321-L394 WeakPolarHBondContact O-CD1 3.48Å; S321-L394 PolarHBondContact O-N 3.08Å; A322-L394 VanDerWaalsContact C-CD1 3.47Å; A322-L394 VanDerWaalsContact CA-CD1 3.48Å; A322-L394 VanDerWaalsContact N-CD1 3.28Å; L352-L394 HydrophobicContact CD1-CD2 3.91Å; I357-L394 HydrophobicContact CG2-CD1 4Å; I357-L394 HydrophobicContact CG2-CD2 3.81Å; I357-L394 HydrophobicContact CG2-CG 4.25Å; L394-R396 VanDerWaalsContact C-N 3.26Å; L394-R396 PolarHBondContact O-N 2.64Å; L394-P397 HydrophobicContact CB-CB 4.48Å; L394-P397 VanDerWaalsContact O-CD 3.29Å; L394-P397 WeakPolarHBondContact O-CD 3.2Å | ||
| 395 | N | 70.6 | Confident | 76.9 | Confident | 33 Ų | 33 | 18.7 Ų | 18.7 | 18% | 0.176 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -68.3 | -25.2 | 172.5 | 62.2 | -33.8 | 0 | 0 | 0 | 113.1 | T293 P397 H504 Y522 | T293-N395 HydrophobicContact CG2-CB 3.87Å; N395-P397 VanDerWaalsContact C-CD 3.49Å; N395-H504 PolarHBondContact OD1-NE2 3.4Å; N395-Y522 HydrophobicContact CB-CD1 4.27Å; N395-Y522 HydrophobicContact CB-CD2 4.38Å; N395-Y522 HydrophobicContact CB-CE1 3.7Å; N395-Y522 HydrophobicContact CB-CE2 3.84Å; N395-Y522 VanDerWaalsContact CB-CZ 3.48Å; N395-Y522 PolarHBondContact ND2-OH 2.91Å |
| 396 | R | 63.9 | Low | 76.2 | Confident | 126 Ų | 126 | 19.4 Ų | 19.4 | 48% | 0.475 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -128.4 | 61.4 | 177.3 | -61.5 | 176.7 | -177.2 | 176 | -2.9 | 110.8 | L394 V968 | L394-R396 VanDerWaalsContact C-N 3.26Å; L394-R396 PolarHBondContact O-N 2.64Å; R396-V968 VanDerWaalsContact CZ-O 3.29Å; R396-V968 PolarHBondContact NH1-O 3.46Å |
| 397 | P | 61.1 | Low | 75.5 | Confident | 10 Ų | 10 | 16 Ų | 16 | 7% | 0.065 | 7% | 0.071 | C | C | . | . | trans | -82 | 166.4 | -173.5 | 40.4 | -38.1 | 0 | 0 | 0 | 110.8 | P292 S321 I393 L394 N395 I423 Y971 | P292-P397 HydrophobicContact CB-CG 4.14Å; P292-P397 HydrophobicContact CG-CG 4.18Å; S321-P397 WeakPolarHBondContact O-CB 3.15Å; I393-P397 HydrophobicContact CG2-CB 3.52Å; I393-P397 HydrophobicContact CG2-CG 3.55Å; L394-P397 HydrophobicContact CB-CB 4.48Å; L394-P397 VanDerWaalsContact O-CD 3.29Å; L394-P397 WeakPolarHBondContact O-CD 3.2Å; N395-P397 VanDerWaalsContact C-CD 3.49Å; P397-I423 HydrophobicContact CB-CD1 3.53Å; P397-I423 HydrophobicContact CG-CD1 3.74Å; P397-I423 HydrophobicContact CG-CG2 4.01Å; P397-Y971 PolarHBondContact O-OH 2.65Å | ||
| 398 | S | 53 | Low | 74.5 | Confident | 13 Ų | 13 | 18.2 Ų | 18.2 | 9% | 0.091 | 8% | 0.081 | C | C | . | . | trans | -72.4 | 178.9 | 165.7 | 83.4 | 0 | 0 | 0 | 0 | 112 | S321 R400 I423 Y971 | S321-S398 WeakPolarHBondContact OG-CB 3.44Å; S321-S398 PolarHBondContact OG-N 2.89Å; S321-S398 PolarHBondContact OG-OG 2.92Å; S398-R400 PolarHBondContact O-N 2.97Å; S398-R400 PolarHBondContact OG-O 3.18Å; S398-I423 WeakPolarHBondContact O-CD1 3.37Å; S398-Y971 WeakPolarHBondContact CA-OH 3.32Å; S398-Y971 PolarHBondContact N-OH 2.86Å | ||
| 399 | T | 49.8 | Very low | 73.5 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -75.3 | -11.5 | -176 | 57 | 0 | 0 | 0 | 0 | 113.7 | I423 L752 I754 F1008 | T399-I423 PolarHBondContact O-N 3.04Å; T399-L752 WeakPolarHBondContact CB-O 3.42Å; T399-L752 HydrophobicContact CG2-CD2 4.23Å; T399-L752 HydrophobicContact CG2-CG 4.44Å; T399-L752 WeakPolarHBondContact CG2-O 3.4Å; T399-L752 PolarHBondContact OG1-O 2.82Å; T399-I754 WeakPolarHBondContact OG1-CD1 3.39Å; T399-F1008 HydrophobicContact CG2-CE1 3.69Å; T399-F1008 HydrophobicContact CG2-CE2 3.97Å; T399-F1008 HydrophobicContact CG2-CZ 3.29Å |
| 400 | R | 53.9 | Low | 72.1 | Confident | 58 Ų | 58 | 21 Ų | 21 | 22% | 0.219 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.8 | 178.3 | -78.5 | 178 | 177.6 | 176.8 | 17.8 | 110.8 | S398 N420 I421 I754 | S398-R400 PolarHBondContact O-N 2.97Å; S398-R400 PolarHBondContact OG-O 3.18Å; R400-N420 WeakPolarHBondContact CB-OD1 3.38Å; R400-N420 VanDerWaalsContact CD-OD1 3.26Å; R400-N420 WeakPolarHBondContact CD-OD1 3.45Å; R400-N420 WeakPolarHBondContact CG-OD1 3.41Å; R400-I421 CarbonylContact C-O 3.5Å; R400-I421 WeakPolarHBondContact CA-O 3.47Å; R400-I754 VanDerWaalsContact CD-CD1 3.45Å; R400-I754 HydrophobicContact CG-CD1 3.66Å |
| 401 | V | 65.6 | Low | 70.4 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.1 | 169.8 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | A322 I393 I403 I421 I423 | A322-V401 HydrophobicContact CB-CB 4.47Å; A322-V401 HydrophobicContact CB-CG1 3.45Å; A322-V401 VanDerWaalsContact CB-CG1 3.45Å; A322-V401 HydrophobicContact CB-CG2 4.15Å; I393-V401 HydrophobicContact CD1-CB 4.23Å; I393-V401 HydrophobicContact CD1-CG1 4.31Å; I393-V401 HydrophobicContact CD1-CG2 3.46Å; I393-V401 VanDerWaalsContact CD1-CG2 3.46Å; V401-I403 HydrophobicContact CG1-CD1 3.52Å; V401-I403 HydrophobicContact CG1-CG1 3.79Å; V401-I421 PolarHBondContact N-O 2.88Å; V401-I421 PolarHBondContact O-N 2.91Å; V401-I423 HydrophobicContact CG2-CD1 3.31Å; V401-I423 HydrophobicContact CG2-CG1 4.03Å |
| 402 | I | 64.3 | Low | 68.7 | Low | 37 Ų | 37 | 30.6 Ų | 30.6 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118 | 172.3 | -58.1 | 171.1 | 0 | 0 | 0 | 107.3 | S317 V318 E418 C419 N420 | S317-I402 WeakPolarHBondContact CA-O 3.49Å; V318-I402 HydrophobicContact CB-CB 4.06Å; V318-I402 HydrophobicContact CB-CG2 4.44Å; V318-I402 HydrophobicContact CG2-CB 4.18Å; V318-I402 HydrophobicContact CG2-CG2 4.01Å; V318-I402 PolarHBondContact N-O 2.93Å; I402-E418 HydrophobicContact CG2-CB 4.06Å; I402-E418 HydrophobicContact CG2-CG 4.34Å; I402-C419 WeakPolarHBondContact CA-O 3.29Å; I402-N420 HydrophobicContact CG1-CB 4.41Å |
| 403 | I | 78.9 | Confident | 67.2 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.8 | 173.8 | -57.5 | -57.6 | 0 | 0 | 0 | 108.3 | V298 V315 Y316 A322 I391 V401 F405 E418 C419 I421 | V298-I403 HydrophobicContact CG1-CG2 4.47Å; V315-I403 HydrophobicContact CG2-CG2 3.86Å; Y316-I403 WeakPolarHBondContact O-CA 3.4Å; A322-I403 HydrophobicContact CB-CD1 4.33Å; I391-I403 HydrophobicContact CD1-CD1 3.86Å; I391-I403 HydrophobicContact CD1-CG1 4.28Å; I391-I403 HydrophobicContact CD1-CG2 4.16Å; I391-I403 HydrophobicContact CG1-CD1 4.14Å; I391-I403 HydrophobicContact CG1-CG1 4.13Å; I391-I403 HydrophobicContact CG1-CG2 4.42Å; I391-I403 HydrophobicContact CG2-CD1 3.82Å; I391-I403 HydrophobicContact CG2-CG1 4.21Å; V401-I403 HydrophobicContact CG1-CD1 3.52Å; V401-I403 HydrophobicContact CG1-CG1 3.79Å; I403-F405 HydrophobicContact CG2-CE2 4.13Å; I403-E418 WeakPolarHBondContact O-CA 3.46Å; I403-C419 PolarHBondContact N-O 3.33Å; I403-C419 PolarHBondContact O-N 2.86Å; I403-C419 PolarHBondContact O-SG 2.89Å; I403-C419 VanDerWaalsContact O-SG 3.36Å; I403-I421 HydrophobicContact CG1-CD1 4.5Å |
| 404 | G | 73.5 | Confident | 66.1 | Low | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V315 Y316 K417 | V315-G404 CarbonylContact C-O 3.57Å; V315-G404 VanDerWaalsContact CA-O 3.32Å; V315-G404 WeakPolarHBondContact CA-O 3.43Å; Y316-G404 WeakPolarHBondContact CD1-O 3.33Å; Y316-G404 PolarHBondContact N-O 3.16Å; Y316-G404 PolarHBondContact O-N 3.2Å; G404-K417 CarbonylContact C-O 3.52Å; G404-K417 WeakPolarHBondContact CA-O 3.43Å |
| 405 | F | 83 | Confident | 65.5 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 144.6 | 166 | -67.4 | -92.4 | 0 | 0 | 0 | 109.1 | L281 I283 V298 A300 S314 V315 L327 L387 A389 I403 Y416 K417 | L281-F405 HydrophobicContact CD1-CB 4.01Å; L281-F405 HydrophobicContact CD2-CB 4.02Å; L281-F405 VanDerWaalsContact CD2-O 3.26Å; L281-F405 WeakPolarHBondContact CD2-O 3.33Å; I283-F405 HydrophobicContact CD1-CD2 4.42Å; I283-F405 HydrophobicContact CG1-CD2 4.26Å; V298-F405 HydrophobicContact CB-CE2 4.37Å; V298-F405 HydrophobicContact CB-CZ 4.28Å; V298-F405 HydrophobicContact CG1-CE2 3.59Å; V298-F405 HydrophobicContact CG1-CZ 3.95Å; A300-F405 HydrophobicContact CB-CB 4.08Å; A300-F405 HydrophobicContact CB-CD1 3.81Å; A300-F405 HydrophobicContact CB-CD2 3.63Å; A300-F405 HydrophobicContact CB-CE1 4.08Å; A300-F405 HydrophobicContact CB-CE2 3.94Å; A300-F405 HydrophobicContact CB-CG 3.55Å; A300-F405 HydrophobicContact CB-CZ 4.14Å; S314-F405 CarbonylContact O-C 3.45Å; S314-F405 WeakPolarHBondContact O-CA 3.29Å; V315-F405 HydrophobicContact CB-CD1 4.13Å; V315-F405 HydrophobicContact CB-CE1 4.09Å; V315-F405 HydrophobicContact CG2-CD1 4.18Å; V315-F405 HydrophobicContact CG2-CE1 3.9Å; V315-F405 HydrophobicContact CG2-CZ 4.11Å; L327-F405 HydrophobicContact CD1-CE1 4.49Å; L387-F405 HydrophobicContact CB-CD1 3.86Å; L387-F405 HydrophobicContact CB-CE1 3.76Å; L387-F405 HydrophobicContact CD1-CB 4.38Å; L387-F405 HydrophobicContact CD1-CD1 3.62Å; L387-F405 HydrophobicContact CD1-CE1 4.38Å; L387-F405 HydrophobicContact CD1-CG 4.38Å; L387-F405 HydrophobicContact CG-CD1 4.39Å; A389-F405 HydrophobicContact CB-CE1 3.88Å; A389-F405 HydrophobicContact CB-CZ 3.74Å; I403-F405 HydrophobicContact CG2-CE2 4.13Å; F405-Y416 CarbonylContact O-C 3.59Å; F405-Y416 WeakPolarHBondContact O-CA 3.44Å; F405-Y416 WeakPolarHBondContact O-CB 3.37Å; F405-K417 PolarHBondContact N-O 2.89Å; F405-K417 PolarHBondContact O-N 2.92Å |
| 406 | R | 74.9 | Confident | 65.6 | Low | 17 Ų | 17 | 49.7 Ų | 49.7 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.5 | -179.9 | 167 | -178.6 | 170.5 | 157.1 | 2.4 | 110.2 | S314 Y316 I414 I415 E847 | S314-R406 PolarHBondContact N-O 3.48Å; S314-R406 PolarHBondContact O-N 3.26Å; Y316-R406 HydrophobicContact CE1-CB 4.16Å; R406-I414 HydrophobicContact CG-CG2 3.65Å; R406-I415 WeakPolarHBondContact CA-O 3.35Å; R406-E847 IonicContact CZ-OE1 3.84Å; R406-E847 VanDerWaalsContact CZ-OE1 3.3Å; R406-E847 IonicContact NE-OE1 3.89Å; R406-E847 IonicContact NH1-OE1 3.37Å; R406-E847 PolarHBondContact NH1-OE1 3.05Å; R406-E847 IonicContact NH2-OE1 2.73Å |
| 407 | V | 78.6 | Confident | 66.1 | Low | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.8 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | L281 V302 Y311 T312 F313 I415 | L281-V407 HydrophobicContact CD1-CG2 4.37Å; V302-V407 HydrophobicContact CB-CG2 4.38Å; V302-V407 HydrophobicContact CG1-CB 4.39Å; V302-V407 HydrophobicContact CG1-CG1 4.14Å; V302-V407 HydrophobicContact CG1-CG2 3.75Å; V302-V407 HydrophobicContact CG2-CG2 3.65Å; Y311-V407 HydrophobicContact CD1-CG1 4.36Å; T312-V407 WeakPolarHBondContact O-CA 3.37Å; F313-V407 HydrophobicContact CD1-CG1 4.06Å; F313-V407 HydrophobicContact CD1-CG2 3.95Å; F313-V407 HydrophobicContact CE1-CG1 3.96Å; F313-V407 HydrophobicContact CE1-CG2 4.38Å; V407-I415 HydrophobicContact CB-CD1 4.26Å; V407-I415 HydrophobicContact CB-CG1 3.9Å; V407-I415 PolarHBondContact N-O 2.81Å; V407-I415 PolarHBondContact O-N 2.7Å; V407-I415 VanDerWaalsContact O-N 3.12Å |
| 408 | H | 71.4 | Confident | 66.7 | Low | 46 Ų | 46 | 52.6 Ų | 52.6 | 21% | 0.213 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.5 | 174.1 | -176.2 | -122.3 | 0 | 0 | 0 | 109.8 | Y311 T312 I414 | Y311-H408 CarbonylContact C-O 3.57Å; Y311-H408 VanDerWaalsContact CA-O 3.29Å; Y311-H408 WeakPolarHBondContact CA-O 3.45Å; T312-H408 PolarHBondContact N-O 3.21Å; T312-H408 PolarHBondContact O-N 2.83Å; H408-I414 HydrophobicContact CB-CG1 4.48Å; H408-I414 VanDerWaalsContact CD2-CG1 3.48Å; H408-I414 WeakPolarHBondContact CD2-CG1 3.45Å |
| 409 | A | 71.3 | Confident | 67.7 | Low | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109 | I279 N310 Y311 N411 R412 | I279-A409 HydrophobicContact CD1-CB 3.89Å; N310-A409 WeakPolarHBondContact O-CA 3.26Å; Y311-A409 HydrophobicContact CD1-CB 3.79Å; Y311-A409 HydrophobicContact CE1-CB 3.66Å; A409-N411 PolarHBondContact O-N 2.89Å; A409-R412 HydrophobicContact CB-CB 4.39Å; A409-R412 PolarHBondContact O-N 3.46Å |
| 410 | S | 62.8 | Low | 68.4 | Low | 61 Ų | 61 | 54.9 Ų | 54.9 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.4 | -167.6 | 67.2 | 0 | 0 | 0 | 0 | 115.3 | D309 N310 | D309-S410 VanDerWaalsContact OD1-CB 3.28Å; D309-S410 WeakPolarHBondContact OD1-CB 3.19Å; D309-S410 PolarHBondContact OD1-OG 2.99Å; N310-S410 PolarHBondContact O-N 2.96Å |
| 411 | N | 54.8 | Low | 69.2 | Low | 150 Ų | 150 | 52.1 Ų | 52.1 | 80% | 0.802 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 13.8 | -173.5 | -73.3 | -26 | 0 | 0 | 0 | 114.5 | A409 | A409-N411 PolarHBondContact O-N 2.89Š|
| 412 | R | 56 | Low | 68.8 | Low | 72 Ų | 72 | 53.7 Ų | 53.7 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.2 | -171.6 | -62.9 | -170.4 | -176.3 | -171.3 | 5.6 | 114.3 | T276 L277 I306 A409 | T276-R412 VanDerWaalsContact CB-NH2 3.3Å; T276-R412 VanDerWaalsContact CG2-NH2 3.33Å; L277-R412 PolarHBondContact O-NH1 2.76Å; I306-R412 VanDerWaalsContact CD1-CZ 3.47Å; A409-R412 HydrophobicContact CB-CB 4.39Å; A409-R412 PolarHBondContact O-N 3.46Å |
| 413 | K | 57.1 | Low | 68.6 | Low | 199 Ų | 199 | 52.3 Ų | 52.3 | 87% | 0.865 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 138.2 | 170.6 | -78.3 | -174.1 | 177.3 | -177.1 | 0 | 110.6 | ||
| 414 | I | 62.2 | Low | 67.6 | Low | 53 Ų | 53 | 54.5 Ų | 54.5 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 130.9 | 172.1 | -61.7 | 148.2 | 0 | 0 | 0 | 109.5 | R406 H408 | R406-I414 HydrophobicContact CG-CG2 3.65Å; H408-I414 HydrophobicContact CB-CG1 4.48Å; H408-I414 VanDerWaalsContact CD2-CG1 3.48Å; H408-I414 WeakPolarHBondContact CD2-CG1 3.45Å |
| 415 | I | 68.3 | Low | 66.6 | Low | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.5 | 170.5 | 59.9 | 172.2 | 0 | 0 | 0 | 109.8 | I279 L281 R406 V407 | I279-I415 HydrophobicContact CB-CD1 3.9Å; I279-I415 HydrophobicContact CG2-CD1 3.34Å; L281-I415 HydrophobicContact CB-CD1 3.79Å; L281-I415 HydrophobicContact CB-CG1 4.3Å; R406-I415 WeakPolarHBondContact CA-O 3.35Å; V407-I415 HydrophobicContact CB-CD1 4.26Å; V407-I415 HydrophobicContact CB-CG1 3.9Å; V407-I415 PolarHBondContact N-O 2.81Å; V407-I415 PolarHBondContact O-N 2.7Å; V407-I415 VanDerWaalsContact O-N 3.12Å |
| 416 | Y | 73.7 | Confident | 65 | Low | 143 Ų | 143 | 62 Ų | 62 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.1 | 179.3 | 72.3 | -82.2 | 0 | 0 | 0 | 111.8 | F405 E418 | F405-Y416 CarbonylContact O-C 3.59Å; F405-Y416 WeakPolarHBondContact O-CA 3.44Å; F405-Y416 WeakPolarHBondContact O-CB 3.37Å; Y416-E418 HydrophobicContact CD2-CG 4.45Å |
| 417 | K | 73.1 | Confident | 63.6 | Low | 105 Ų | 105 | 65.2 Ų | 65.2 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.8 | 173.4 | -78 | -63.1 | -171.4 | 174.5 | 0 | 109.3 | L281 I283 G404 F405 | L281-K417 HydrophobicContact CD2-CB 4.01Å; L281-K417 HydrophobicContact CD2-CG 4.24Å; L281-K417 HydrophobicContact CG-CB 4.17Å; L281-K417 HydrophobicContact CG-CG 4.12Å; L281-K417 WeakPolarHBondContact O-CG 3.33Å; I283-K417 HydrophobicContact CD1-CB 4.08Å; I283-K417 HydrophobicContact CG1-CB 3.99Å; G404-K417 CarbonylContact C-O 3.52Å; G404-K417 WeakPolarHBondContact CA-O 3.43Å; F405-K417 PolarHBondContact N-O 2.89Å; F405-K417 PolarHBondContact O-N 2.92Å |
| 418 | E | 75.2 | Confident | 61.8 | Low | 93 Ų | 93 | 71.4 Ų | 71.4 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.9 | 179 | -63.4 | -179.2 | 167 | 0 | 0 | 110.9 | I283 Y316 I402 I403 Y416 | I283-E418 VanDerWaalsContact CD1-C 3.41Å; Y316-E418 HydrophobicContact CE2-CG 4.44Å; Y316-E418 VanDerWaalsContact CE2-OE1 3.29Å; Y316-E418 WeakPolarHBondContact CE2-OE1 3.32Å; Y316-E418 VanDerWaalsContact OH-CG 3.3Å; Y316-E418 WeakPolarHBondContact OH-CG 3.43Å; Y316-E418 PolarHBondContact OH-OE1 2.78Å; I402-E418 HydrophobicContact CG2-CB 4.06Å; I402-E418 HydrophobicContact CG2-CG 4.34Å; I403-E418 WeakPolarHBondContact O-CA 3.46Å; Y416-E418 HydrophobicContact CD2-CG 4.45Å |
| 419 | C | 73.3 | Confident | 60.5 | Low | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.6 | 168.3 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | I283 Y286 I402 I403 | I283-C419 HydrophobicContact CD1-CB 3.6Å; I283-C419 HydrophobicContact CG2-CB 4.45Å; Y286-C419 HydrophobicContact CD1-CB 4.02Å; Y286-C419 HydrophobicContact CD2-CB 4.14Å; Y286-C419 HydrophobicContact CE1-CB 4.23Å; Y286-C419 HydrophobicContact CE2-CB 4.35Å; Y286-C419 HydrophobicContact CG-CB 3.96Å; I402-C419 WeakPolarHBondContact CA-O 3.29Å; I403-C419 PolarHBondContact N-O 3.33Å; I403-C419 PolarHBondContact O-N 2.86Å; I403-C419 PolarHBondContact O-SG 2.89Å; I403-C419 VanDerWaalsContact O-SG 3.36Å |
| 420 | N | 64.8 | Low | 59.4 | Low | 59 Ų | 59 | 79.8 Ų | 79.8 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.4 | 179.7 | -169.4 | -22.4 | 0 | 0 | 0 | 109.1 | R400 I402 | R400-N420 WeakPolarHBondContact CB-OD1 3.38Å; R400-N420 VanDerWaalsContact CD-OD1 3.26Å; R400-N420 WeakPolarHBondContact CD-OD1 3.45Å; R400-N420 WeakPolarHBondContact CG-OD1 3.41Å; I402-N420 HydrophobicContact CG1-CB 4.41Å |
| 421 | I | 70.3 | Confident | 58.7 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.1 | -169.3 | -52.4 | 173.1 | 0 | 0 | 0 | 109.1 | Y286 P287 M290 V298 R400 V401 I403 | Y286-I421 HydrophobicContact CD2-CD1 4.44Å; Y286-I421 HydrophobicContact CD2-CG1 4.03Å; P287-I421 HydrophobicContact CG-CD1 4.33Å; P287-I421 HydrophobicContact CG-CG2 4.22Å; P287-I421 WeakPolarHBondContact O-CG2 2.94Å; M290-I421 HydrophobicContact CB-CG2 4.43Å; M290-I421 HydrophobicContact CE-CB 4.08Å; M290-I421 HydrophobicContact CE-CD1 3.3Å; M290-I421 HydrophobicContact CE-CG1 4.24Å; M290-I421 HydrophobicContact CE-CG2 3.66Å; M290-I421 HydrophobicContact CG-CG2 3.76Å; M290-I421 HydrophobicContact SD-CG2 4.48Å; V298-I421 HydrophobicContact CG2-CD1 4.15Å; R400-I421 CarbonylContact C-O 3.5Å; R400-I421 WeakPolarHBondContact CA-O 3.47Å; V401-I421 PolarHBondContact N-O 2.88Å; V401-I421 PolarHBondContact O-N 2.91Å; I403-I421 HydrophobicContact CG1-CD1 4.5Å |
| 422 | P | 58.4 | Low | 58.5 | Low | 33 Ų | 33 | 79.2 Ų | 79.2 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139 | 177.9 | 28.7 | -33.4 | 0 | 0 | 0 | 111.7 | K288 K289 M290 | K288-P422 VanDerWaalsContact O-CD 3.29Å; K288-P422 WeakPolarHBondContact O-CD 3.33Å; K288-P422 WeakPolarHBondContact O-CG 2.78Å; K289-P422 CarbonylContact C-O 3.5Å; K289-P422 WeakPolarHBondContact CA-O 3.27Å; K289-P422 HydrophobicContact CG-CG 4.15Å; M290-P422 PolarHBondContact N-O 3.25Å |
| 423 | I | 59.9 | Low | 58.3 | Low | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 127.9 | 174.3 | -62.8 | 164.6 | 0 | 0 | 0 | 109.3 | M290 P292 I393 P397 S398 T399 V401 | M290-I423 HydrophobicContact CB-CG1 4.48Å; M290-I423 CarbonylContact O-C 3.58Å; M290-I423 VanDerWaalsContact O-CA 3.29Å; M290-I423 WeakPolarHBondContact O-CA 3.19Å; P292-I423 HydrophobicContact CG-CG2 4.04Å; I393-I423 HydrophobicContact CG2-CD1 3.72Å; I393-I423 HydrophobicContact CG2-CG1 4.33Å; P397-I423 HydrophobicContact CB-CD1 3.53Å; P397-I423 HydrophobicContact CG-CD1 3.74Å; P397-I423 HydrophobicContact CG-CG2 4.01Å; S398-I423 WeakPolarHBondContact O-CD1 3.37Å; T399-I423 PolarHBondContact O-N 3.04Å; V401-I423 HydrophobicContact CG2-CD1 3.31Å; V401-I423 HydrophobicContact CG2-CG1 4.03Å |
| 424 | V | 57 | Low | 58 | Low | 47 Ų | 47 | 73.8 Ų | 73.8 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | trans | -123.7 | 122.4 | -176.9 | -174 | 0 | 0 | 0 | 0 | 109 | K289 M290 I291 N426 | K289-V424 HydrophobicContact CB-CG2 4.28Å; K289-V424 HydrophobicContact CD-CG2 4Å; K289-V424 HydrophobicContact CG-CG2 4.25Å; M290-V424 PolarHBondContact O-N 2.94Å; I291-V424 WeakPolarHBondContact CG2-O 3.2Å; V424-N426 HydrophobicContact CG1-CB 4.39Å; V424-N426 PolarHBondContact O-N 3.33Å | ||
| 425 | A | 53.1 | Low | 57.8 | Low | 70 Ų | 70 | 74.3 Ų | 74.3 | 58% | 0.579 | 40% | 0.401 | S | S | * | . | trans | -75.7 | 76.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S427 | A425-S427 PolarHBondContact O-N 2.84Š| ||
| 426 | N | 49.5 | Very low | 57.3 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | trans | -86 | 105.2 | 179.2 | -163.4 | 8.1 | 0 | 0 | 0 | 110.1 | V424 N428 | V424-N426 HydrophobicContact CG1-CB 4.39Å; V424-N426 PolarHBondContact O-N 3.33Å; N426-N428 VanDerWaalsContact C-N 3.32Å | ||
| 427 | S | 44.3 | Very low | 56.8 | Low | 85 Ų | 85 | 72.5 Ų | 72.5 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | trans | -81.3 | -6.8 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | A425 | A425-S427 PolarHBondContact O-N 2.84Š| ||
| 428 | N | 41.9 | Very low | 56.3 | Low | 132 Ų | 132 | 68.8 Ų | 68.8 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | trans | -92 | -14.9 | -165.1 | -71.2 | -18.8 | 0 | 0 | 0 | 115.6 | N426 K430 | N426-N428 VanDerWaalsContact C-N 3.32Å; N428-K430 PolarHBondContact O-N 3.49Å | ||
| 429 | D | 44.2 | Very low | 55.9 | Low | 91 Ų | 91 | 69.4 Ų | 69.4 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | -84.4 | 61.5 | 176.9 | -92.8 | 15.4 | 0 | 0 | 0 | 110.6 | G431 K465 | D429-G431 PolarHBondContact O-N 3.04Å; D429-K465 IonicContact OD2-NZ 2.65Å; D429-K465 PolarHBondContact OD2-NZ 3.16Å | ||
| 430 | K | 47.5 | Very low | 55.5 | Low | 136 Ų | 136 | 71.8 Ų | 71.8 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | trans | -93 | 93.3 | 171.9 | -67.7 | -173.6 | -178.9 | -176.6 | 0 | 109.2 | N428 | N428-K430 PolarHBondContact O-N 3.49Š| ||
| 431 | G | 49.3 | Very low | 55.4 | Low | 25 Ų | 25 | 73.5 Ų | 73.5 | 26% | 0.258 | 40% | 0.398 | S | S | . | . | trans | -61 | 165.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D429 V433 Q466 | D429-G431 PolarHBondContact O-N 3.04Å; G431-V433 PolarHBondContact O-N 2.84Å; G431-Q466 PolarHBondContact O-NE2 3.09Å | ||
| 432 | K | 49.6 | Very low | 54.8 | Low | 173 Ų | 173 | 79.9 Ų | 79.9 | 75% | 0.752 | 43% | 0.428 | S | S | * | . | trans | -49 | 125.6 | 178.7 | -80 | -174.8 | 176.5 | -176.5 | 0 | 110.9 | L434 | K432-L434 PolarHBondContact O-N 2.88Š| ||
| 433 | V | 50.8 | Low | 54.7 | Low | 67 Ų | 67 | 79.5 Ų | 79.5 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | trans | -78.5 | 99.1 | -179 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | G431 Q570 | G431-V433 PolarHBondContact O-N 2.84Å; V433-Q570 VanDerWaalsContact CG1-CD 3.49Å; V433-Q570 HydrophobicContact CG1-CG 4.37Å | ||
| 434 | L | 52.5 | Low | 54.5 | Low | 90 Ų | 90 | 83 Ų | 83 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | trans | -118.7 | 139.5 | 168.8 | -78.7 | 158.8 | 0 | 0 | 0 | 107.3 | K432 P461 | K432-L434 PolarHBondContact O-N 2.88Å; L434-P461 HydrophobicContact CB-CB 3.82Å; L434-P461 HydrophobicContact CB-CG 4.12Å; L434-P461 WeakPolarHBondContact O-CG 3.42Å | ||
| 435 | A | 56.8 | Low | 54.3 | Low | 65 Ų | 65 | 85.2 Ų | 85.2 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 131.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V572 | A435-V572 HydrophobicContact CB-CG2 4.35Š|
| 436 | S | 58.7 | Low | 54.6 | Low | 7 Ų | 7 | 82.3 Ų | 82.3 | 5% | 0.049 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 151.5 | 169.8 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | S459 P461 F564 | S436-S459 WeakPolarHBondContact CB-O 3.33Å; S436-P461 WeakPolarHBondContact OG-CD 3.07Å; S436-F564 WeakPolarHBondContact OG-CE1 3.41Å |
| 437 | Y | 61.8 | Low | 54.9 | Low | 143 Ų | 143 | 81.3 Ų | 81.3 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.9 | 174.1 | 178.9 | -101.7 | 0 | 0 | 0 | 110.1 | E439 S459 | Y437-E439 HydrophobicContact CE1-CB 3.83Å; Y437-S459 PolarHBondContact N-O 2.92Å; Y437-S459 PolarHBondContact O-N 2.78Å |
| 438 | I | 63.4 | Low | 55.6 | Low | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.138 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.9 | -178.5 | -55.6 | 172.8 | 0 | 0 | 0 | 108.1 | T457 I458 F564 | I438-T457 WeakPolarHBondContact CA-O 3.39Å; I438-I458 HydrophobicContact CG1-CG1 4.43Å; I438-F564 HydrophobicContact CD1-CB 3.13Å; I438-F564 HydrophobicContact CD1-CD1 4.02Å; I438-F564 HydrophobicContact CD1-CD2 3.93Å; I438-F564 HydrophobicContact CD1-CG 3.45Å; I438-F564 VanDerWaalsContact CD1-CG 3.45Å; I438-F564 HydrophobicContact CG1-CB 4.48Å; I438-F564 HydrophobicContact CG1-CG 4.44Å |
| 439 | E | 66.3 | Low | 56.3 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.3 | 173.2 | -168.4 | 171.5 | -179.2 | 0 | 0 | 109 | Y437 T457 | Y437-E439 HydrophobicContact CE1-CB 3.83Å; E439-T457 PolarHBondContact N-O 2.96Å; E439-T457 PolarHBondContact O-N 2.81Å |
| 440 | Y | 66.5 | Low | 57.1 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.9 | -179.2 | 62.6 | -87.6 | 0 | 0 | 0 | 110.3 | H442 S574 T575 V576 | Y440-H442 AromaticContact CE2-CE1 3.77Å; Y440-H442 AromaticContact CE2-ND1 3.9Å; Y440-S574 WeakPolarHBondContact CE1-OG 3.4Å; Y440-T575 PolarHBondContact OH-O 2.99Å; Y440-V576 HydrophobicContact CD1-CG2 4.43Å; Y440-V576 HydrophobicContact CD2-CB 4.46Å; Y440-V576 HydrophobicContact CD2-CG1 4.13Å; Y440-V576 HydrophobicContact CD2-CG2 3.68Å; Y440-V576 HydrophobicContact CE2-CB 4.37Å; Y440-V576 HydrophobicContact CE2-CG1 4.2Å; Y440-V576 HydrophobicContact CE2-CG2 3.82Å; Y440-V576 HydrophobicContact CG-CG2 4.01Å |
| 441 | N | 62.3 | Low | 58.1 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.4 | 168.2 | -70 | -6.6 | 0 | 0 | 0 | 108.9 | P443 N455 | N441-P443 VanDerWaalsContact O-CD 3.23Å; N441-P443 WeakPolarHBondContact O-CD 3.27Å; N441-N455 PolarHBondContact N-O 2.92Å |
| 442 | H | 56.5 | Low | 59.2 | Low | 134 Ų | 134 | 67.9 Ų | 67.9 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 116.4 | 170.5 | -78.7 | 62.5 | 0 | 0 | 0 | 108.3 | Y440 A444 | Y440-H442 AromaticContact CE2-CE1 3.77Å; Y440-H442 AromaticContact CE2-ND1 3.9Å; H442-A444 PolarHBondContact O-N 2.78Å |
| 443 | P | 56.4 | Low | 60.5 | Low | 24 Ų | 24 | 63.5 Ų | 63.5 | 16% | 0.156 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 127.7 | 174.3 | 26.8 | -31.6 | 0 | 0 | 0 | 108.2 | N441 C452 V576 P577 | N441-P443 VanDerWaalsContact O-CD 3.23Å; N441-P443 WeakPolarHBondContact O-CD 3.27Å; P443-C452 WeakPolarHBondContact CB-SG 3.12Å; P443-V576 HydrophobicContact CG-CG1 3.62Å; P443-P577 WeakPolarHBondContact CG-O 3.1Å |
| 444 | A | 55.5 | Low | 61.9 | Low | 81 Ų | 81 | 60.3 Ų | 60.3 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 165.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | H442 V446 | H442-A444 PolarHBondContact O-N 2.78Å; A444-V446 WeakPolarHBondContact O-CG2 3.32Å; A444-V446 PolarHBondContact O-N 2.89Å; A444-V446 VanDerWaalsContact O-N 3.14Å |
| 445 | L | 54.4 | Low | 63.4 | Low | 95 Ų | 95 | 57.9 Ų | 57.9 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 121.8 | 173 | -143 | 94.3 | 0 | 0 | 0 | 109.6 | N579 T581 | L445-N579 HydrophobicContact CD1-CB 3.79Å; L445-N579 HydrophobicContact CG-CB 4.19Å; L445-T581 HydrophobicContact CD2-CG2 3.4Å; L445-T581 HydrophobicContact CG-CG2 4.39Å |
| 446 | V | 58.5 | Low | 64.8 | Low | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.2 | -170 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | A444 K450 C452 P546 F578 N579 V580 T581 | A444-V446 WeakPolarHBondContact O-CG2 3.32Å; A444-V446 PolarHBondContact O-N 2.89Å; A444-V446 VanDerWaalsContact O-N 3.14Å; V446-K450 WeakPolarHBondContact CG1-O 3.39Å; V446-C452 HydrophobicContact CB-CB 4.39Å; V446-C452 HydrophobicContact CG1-CB 3.89Å; V446-C452 HydrophobicContact CG2-CB 3.66Å; V446-P546 HydrophobicContact CG1-CG 4.26Å; V446-F578 HydrophobicContact CG2-CE2 4.41Å; V446-N579 PolarHBondContact N-O 2.75Å; V446-V580 VanDerWaalsContact O-CA 3.31Å; V446-V580 WeakPolarHBondContact O-CA 3.4Å; V446-T581 PolarHBondContact O-N 3.19Å |
| 447 | E | 56.5 | Low | 66 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.2 | 170.9 | -68.3 | 170.1 | 176.2 | 0 | 0 | 110.1 | E449 K450 T581 | E447-E449 PolarHBondContact O-N 2.88Å; E447-K450 HydrophobicContact CB-CD 4.46Å; E447-K450 PolarHBondContact O-N 2.89Å; E447-K450 VanDerWaalsContact O-O 3.08Å; E447-K450 IonicContact OE1-NZ 3.12Å; E447-K450 WeakPolarHBondContact OE2-CD 3.39Å; E447-K450 VanDerWaalsContact OE2-CE 3.27Å; E447-K450 WeakPolarHBondContact OE2-CE 3.18Å; E447-K450 IonicContact OE2-NZ 3.96Å; E447-K450 PolarHBondContact OE2-NZ 2.94Å; E447-T581 CarbonylContact C-O 3.45Å; E447-T581 WeakPolarHBondContact CA-O 3.47Å |
| 448 | T | 59.1 | Low | 67.2 | Low | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19.4 | 178.8 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | V580 T581 | T448-V580 HydrophobicContact CG2-CG1 3.35Å; T448-T581 PolarHBondContact N-O 2.97Å; T448-T581 PolarHBondContact OG1-O 3.15Å |
| 449 | E | 55.5 | Low | 68.2 | Low | 47 Ų | 47 | 49.3 Ų | 49.3 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.2 | 178.4 | -67.7 | 176.8 | -154.5 | 0 | 0 | 113.8 | E447 K584 P585 I627 | E447-E449 PolarHBondContact O-N 2.88Å; E449-K584 VanDerWaalsContact OE1-O 3.11Å; E449-P585 WeakPolarHBondContact OE1-CA 3.46Å; E449-I627 VanDerWaalsContact C-CD1 3.47Å; E449-I627 VanDerWaalsContact CA-CD1 3.45Å; E449-I627 HydrophobicContact CB-CD1 4.09Å; E449-I627 WeakPolarHBondContact O-CD1 3.37Å |
| 450 | K | 60.6 | Low | 69.1 | Low | 113 Ų | 113 | 44.2 Ų | 44.2 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -118.6 | 142.3 | 177.3 | -71.2 | 175.8 | -179.4 | 149.2 | 0 | 109.4 | V446 E447 P546 | V446-K450 WeakPolarHBondContact CG1-O 3.39Å; E447-K450 HydrophobicContact CB-CD 4.46Å; E447-K450 PolarHBondContact O-N 2.89Å; E447-K450 VanDerWaalsContact O-O 3.08Å; E447-K450 IonicContact OE1-NZ 3.12Å; E447-K450 WeakPolarHBondContact OE2-CD 3.39Å; E447-K450 VanDerWaalsContact OE2-CE 3.27Å; E447-K450 WeakPolarHBondContact OE2-CE 3.18Å; E447-K450 IonicContact OE2-NZ 3.96Å; E447-K450 PolarHBondContact OE2-NZ 2.94Å; K450-P546 WeakPolarHBondContact O-CD 3.32Å; K450-P546 WeakPolarHBondContact O-CG 3.38Å |
| 451 | L | 69.2 | Low | 69.8 | Low | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | trans | -69.7 | 142.5 | 168.8 | -65.4 | 176.9 | 0 | 0 | 0 | 109.1 | K543 K545 T658 Y681 | L451-K543 HydrophobicContact CD1-CB 4.23Å; L451-K543 HydrophobicContact CD1-CD 3.71Å; L451-K543 HydrophobicContact CD1-CG 4.21Å; L451-K545 HydrophobicContact CD2-CB 3.9Å; L451-K545 HydrophobicContact CD2-CG 4.34Å; L451-T658 HydrophobicContact CD1-CG2 3.46Å; L451-T658 VanDerWaalsContact CD1-CG2 3.46Å; L451-T658 HydrophobicContact CD2-CG2 3.74Å; L451-T658 HydrophobicContact CG-CG2 4.15Å; L451-Y681 HydrophobicContact CD1-CD1 3.65Å; L451-Y681 HydrophobicContact CD1-CE1 3.78Å; L451-Y681 HydrophobicContact CD2-CD1 4.19Å; L451-Y681 HydrophobicContact CG-CD1 3.64Å; L451-Y681 HydrophobicContact CG-CE1 3.67Å | ||
| 452 | C | 73 | Confident | 70.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.8 | 163.7 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | P443 V446 K543 I544 F578 | P443-C452 WeakPolarHBondContact CB-SG 3.12Å; V446-C452 HydrophobicContact CB-CB 4.39Å; V446-C452 HydrophobicContact CG1-CB 3.89Å; V446-C452 HydrophobicContact CG2-CB 3.66Å; C452-K543 CarbonylContact O-C 3.57Å; C452-K543 WeakPolarHBondContact O-CA 3.16Å; C452-I544 HydrophobicContact CB-CB 4.08Å; C452-I544 PolarHBondContact N-O 2.78Å; C452-I544 PolarHBondContact O-N 2.98Å; C452-F578 HydrophobicContact CB-CD2 4.3Å; C452-F578 HydrophobicContact CB-CE2 3.5Å; C452-F578 HydrophobicContact CB-CZ 4.38Å |
| 453 | E | 77 | Confident | 71.7 | Confident | 81 Ų | 81 | 39.8 Ų | 39.8 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.7 | 175 | -66 | -173.8 | 174 | 0 | 0 | 109.2 | H541 K543 Q683 | E453-H541 WeakPolarHBondContact CB-NE2 3.43Å; E453-H541 WeakPolarHBondContact CG-NE2 3.36Å; E453-H541 IonicContact OE2-NE2 2.66Å; E453-K543 HydrophobicContact CG-CG 4.48Å; E453-Q683 PolarHBondContact OE1-NE2 2.89Å; E453-Q683 PolarHBondContact OE1-OE1 2.85Å |
| 454 | L | 80 | Confident | 72.6 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 112.8 | 175.6 | -175.6 | 67.7 | 0 | 0 | 0 | 109 | L456 L472 I542 T562 V576 | L454-L456 HydrophobicContact CD1-CD2 4.2Å; L454-L456 HydrophobicContact CD2-CD1 4.02Å; L454-L456 HydrophobicContact CD2-CD2 4.07Å; L454-L456 HydrophobicContact CD2-CG 4.14Å; L454-L456 HydrophobicContact CG-CD1 4.36Å; L454-L456 HydrophobicContact CG-CD2 3.96Å; L454-L456 HydrophobicContact CG-CG 3.98Å; L454-L472 HydrophobicContact CD2-CD2 3.62Å; L454-I542 WeakPolarHBondContact CB-O 3.14Å; L454-I542 PolarHBondContact N-O 2.69Å; L454-I542 PolarHBondContact O-N 3.43Å; L454-T562 HydrophobicContact CD2-CG2 4.49Å; L454-V576 HydrophobicContact CD1-CG1 4.07Å; L454-V576 HydrophobicContact CD1-CG2 4.44Å |
| 455 | N | 83.8 | Confident | 73.7 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.3 | 172.8 | -69.4 | -27.6 | 0 | 0 | 0 | 109.5 | N441 I539 L540 H541 | N441-N455 PolarHBondContact N-O 2.92Å; N455-I539 HydrophobicContact CB-CG2 4.48Å; N455-L540 WeakPolarHBondContact CA-O 3.48Å; N455-H541 PolarHBondContact OD1-CD2 3.21Å |
| 456 | L | 84.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.4 | -178.1 | -61.6 | 171.3 | 0 | 0 | 0 | 109.4 | L454 L470 L472 I539 L540 I542 | L454-L456 HydrophobicContact CD1-CD2 4.2Å; L454-L456 HydrophobicContact CD2-CD1 4.02Å; L454-L456 HydrophobicContact CD2-CD2 4.07Å; L454-L456 HydrophobicContact CD2-CG 4.14Å; L454-L456 HydrophobicContact CG-CD1 4.36Å; L454-L456 HydrophobicContact CG-CD2 3.96Å; L454-L456 HydrophobicContact CG-CG 3.98Å; L456-L470 HydrophobicContact CD1-CD1 4.48Å; L456-L470 HydrophobicContact CD1-CD2 3.4Å; L456-L470 VanDerWaalsContact CD1-CD2 3.4Å; L456-L470 HydrophobicContact CD1-CG 4.48Å; L456-L472 HydrophobicContact CD1-CD2 4.37Å; L456-I539 WeakPolarHBondContact O-CA 3.34Å; L456-L540 HydrophobicContact CB-CB 4.48Å; L456-L540 PolarHBondContact N-O 2.99Å; L456-L540 PolarHBondContact O-N 2.97Å; L456-I542 HydrophobicContact CD1-CD1 3.82Å |
| 457 | T | 85.2 | Confident | 75.5 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.1 | 175.8 | -59 | 0 | 0 | 0 | 0 | 109.1 | I438 E439 I539 | I438-T457 WeakPolarHBondContact CA-O 3.39Å; E439-T457 PolarHBondContact N-O 2.96Å; E439-T457 PolarHBondContact O-N 2.81Å; T457-I539 HydrophobicContact CG2-CG1 4.21Å |
| 458 | I | 86.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.9 | -178 | -58.4 | 163.7 | 0 | 0 | 0 | 108.1 | I438 F460 L523 Y537 I538 L540 F564 | I438-I458 HydrophobicContact CG1-CG1 4.43Å; I458-F460 HydrophobicContact CB-CZ 4.45Å; I458-F460 HydrophobicContact CG2-CE1 3.95Å; I458-F460 HydrophobicContact CG2-CE2 4.21Å; I458-F460 HydrophobicContact CG2-CZ 3.74Å; I458-L523 HydrophobicContact CD1-CD2 3.79Å; I458-Y537 CarbonylContact O-C 3.51Å; I458-Y537 WeakPolarHBondContact O-CA 3.42Å; I458-Y537 WeakPolarHBondContact O-CB 3.5Å; I458-I538 PolarHBondContact N-O 2.93Å; I458-I538 PolarHBondContact O-N 2.93Å; I458-L540 HydrophobicContact CD1-CD1 3.81Å; I458-L540 HydrophobicContact CD1-CG 4.36Å; I458-F564 HydrophobicContact CD1-CD2 4.32Å; I458-F564 HydrophobicContact CD1-CE2 3.99Å; I458-F564 HydrophobicContact CG1-CE2 4.49Å; I458-F564 HydrophobicContact CG2-CD2 4.48Å; I458-F564 HydrophobicContact CG2-CE2 3.67Å; I458-F564 HydrophobicContact CG2-CZ 3.67Å |
| 459 | S | 85 | Confident | 78 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.2 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | S436 Y437 | S436-S459 WeakPolarHBondContact CB-O 3.33Å; Y437-S459 PolarHBondContact N-O 2.92Å; Y437-S459 PolarHBondContact O-N 2.78Å |
| 460 | F | 85.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -94.4 | 134 | -173.1 | -61.4 | -82 | 0 | 0 | 0 | 111.9 | I458 Y468 I494 L523 V526 N528 I533 H536 I538 F564 | I458-F460 HydrophobicContact CB-CZ 4.45Å; I458-F460 HydrophobicContact CG2-CE1 3.95Å; I458-F460 HydrophobicContact CG2-CE2 4.21Å; I458-F460 HydrophobicContact CG2-CZ 3.74Å; F460-Y468 AromaticContact CD1-CD2 3.98Å; F460-Y468 HydrophobicContact CD1-CD2 3.98Å; F460-Y468 HydrophobicContact CD1-CE1 4.26Å; F460-Y468 AromaticContact CD1-CE2 3.63Å; F460-Y468 HydrophobicContact CD1-CE2 3.63Å; F460-Y468 HydrophobicContact CD1-CG 4.44Å; F460-Y468 AromaticContact CD1-CZ 3.76Å; F460-Y468 HydrophobicContact CE1-CD1 4.32Å; F460-Y468 AromaticContact CE1-CD2 3.63Å; F460-Y468 HydrophobicContact CE1-CD2 3.63Å; F460-Y468 HydrophobicContact CE1-CE1 4.43Å; F460-Y468 AromaticContact CE1-CE2 3.8Å; F460-Y468 HydrophobicContact CE1-CE2 3.8Å; F460-Y468 AromaticContact CE1-CG 3.89Å; F460-Y468 HydrophobicContact CE1-CG 3.89Å; F460-I494 HydrophobicContact CD2-CD1 3.93Å; F460-I494 HydrophobicContact CE2-CD1 3.96Å; F460-L523 HydrophobicContact CZ-CD2 3.96Å; F460-V526 HydrophobicContact CB-CG1 4.44Å; F460-V526 HydrophobicContact CD1-CB 4.09Å; F460-V526 HydrophobicContact CD1-CG1 3.87Å; F460-V526 HydrophobicContact CD2-CG1 3.77Å; F460-V526 HydrophobicContact CE1-CB 3.99Å; F460-V526 HydrophobicContact CE1-CG1 4.02Å; F460-V526 HydrophobicContact CE1-CG2 3.9Å; F460-V526 HydrophobicContact CE2-CG1 3.95Å; F460-V526 HydrophobicContact CE2-CG2 4.47Å; F460-V526 HydrophobicContact CG-CB 4.47Å; F460-V526 HydrophobicContact CG-CG1 3.75Å; F460-V526 HydrophobicContact CZ-CB 4.31Å; F460-V526 HydrophobicContact CZ-CG1 4.07Å; F460-V526 HydrophobicContact CZ-CG2 3.9Å; F460-N528 PolarHBondContact O-ND2 2.95Å; F460-I533 WeakPolarHBondContact O-CG2 3.22Å; F460-H536 WeakPolarHBondContact CD2-O 3.31Å; F460-H536 PolarHBondContact N-O 3.42Å; F460-I538 HydrophobicContact CE2-CB 4.18Å; F460-I538 HydrophobicContact CE2-CD1 3.76Å; F460-I538 HydrophobicContact CE2-CG1 3.83Å; F460-I538 HydrophobicContact CZ-CD1 3.92Å; F460-I538 HydrophobicContact CZ-CG1 4.41Å; F460-F564 HydrophobicContact CE1-CZ 4.12Å |
| 461 | P | 79.6 | Confident | 80.7 | Confident | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 149.5 | -172.9 | 21.4 | -28.3 | 0 | 0 | 0 | 112.4 | L434 S436 S464 N528 | L434-P461 HydrophobicContact CB-CB 3.82Å; L434-P461 HydrophobicContact CB-CG 4.12Å; L434-P461 WeakPolarHBondContact O-CG 3.42Å; S436-P461 WeakPolarHBondContact OG-CD 3.07Å; P461-S464 VanDerWaalsContact O-CB 3.27Å; P461-S464 WeakPolarHBondContact O-CB 3.41Å; P461-S464 PolarHBondContact O-OG 3.24Å; P461-N528 WeakPolarHBondContact O-CB 3.48Å; P461-N528 PolarHBondContact O-ND2 2.82Å |
| 462 | S | 80.2 | Confident | 81.5 | Confident | 40 Ų | 40 | 26.2 Ų | 26.2 | 28% | 0.28 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.3 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | S464 T530 | S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 3.08Å; S462-T530 CarbonylContact C-O 3.57Å; S462-T530 VanDerWaalsContact CA-O 3.29Å; S462-T530 WeakPolarHBondContact CA-O 3.46Å; S462-T530 WeakPolarHBondContact CB-O 3.33Å |
| 463 | K | 78.3 | Confident | 82 | Confident | 139 Ų | 139 | 28 Ų | 28 | 60% | 0.604 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 42.3 | 178.4 | -62.3 | 177.4 | 169.5 | 168.3 | 0 | 113.1 | N528 T530 N531 | K463-N528 CarbonylContact C-O 3.44Å; K463-N528 WeakPolarHBondContact CA-O 3.5Å; K463-N528 PolarHBondContact N-O 2.98Å; K463-T530 PolarHBondContact N-O 2.92Å; K463-N531 WeakPolarHBondContact CE-OD1 3.48Å |
| 464 | S | 76.9 | Confident | 82 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148 | 179.4 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | P461 S462 E527 N528 | P461-S464 VanDerWaalsContact O-CB 3.27Å; P461-S464 WeakPolarHBondContact O-CB 3.41Å; P461-S464 PolarHBondContact O-OG 3.24Å; S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 3.08Å; S464-E527 CarbonylContact O-C 3.52Å; S464-E527 WeakPolarHBondContact O-CA 3.48Å; S464-N528 PolarHBondContact N-O 2.88Å; S464-N528 PolarHBondContact O-N 2.83Å |
| 465 | K | 77.6 | Confident | 81.3 | Confident | 63 Ų | 63 | 27.5 Ų | 27.5 | 27% | 0.274 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 101.2 | 173.5 | -175.1 | -175.2 | -177.9 | -163.4 | 0 | 108 | D429 L525 V526 E527 | D429-K465 IonicContact OD2-NZ 2.65Å; D429-K465 PolarHBondContact OD2-NZ 3.16Å; K465-L525 HydrophobicContact CG-CD1 4.11Å; K465-V526 WeakPolarHBondContact CA-O 3.33Å; K465-E527 HydrophobicContact CB-CB 4.44Å; K465-E527 HydrophobicContact CB-CG 4.1Å; K465-E527 HydrophobicContact CD-CG 4.41Å; K465-E527 HydrophobicContact CG-CB 4.14Å; K465-E527 HydrophobicContact CG-CG 4.08Å |
| 466 | Q | 74.7 | Confident | 80.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.9 | -176.2 | -66 | -167.2 | 20.6 | 0 | 0 | 111.5 | G431 Y468 V526 | G431-Q466 PolarHBondContact O-NE2 3.09Å; Q466-Y468 HydrophobicContact CB-CE2 4.07Å; Q466-Y468 WeakPolarHBondContact O-CD2 3.16Å; Q466-Y468 WeakPolarHBondContact O-CE2 3.31Å; Q466-V526 PolarHBondContact N-O 2.96Å; Q466-V526 PolarHBondContact O-N 3.5Å |
| 467 | T | 77.2 | Confident | 79.3 | Confident | 28 Ų | 28 | 38 Ų | 38 | 17% | 0.172 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.3 | 174 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | T293 G524 S567 | T293-T467 WeakPolarHBondContact OG1-CG2 3.32Å; T467-G524 WeakPolarHBondContact CA-O 3.49Å; T467-S567 PolarHBondContact O-N 2.8Å; T467-S567 VanDerWaalsContact O-N 3.07Å |
| 468 | Y | 82.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.3 | -176.7 | -59.1 | -85.5 | 0 | 0 | 0 | 111.6 | F460 Q466 L523 G524 V526 F564 L566 | F460-Y468 AromaticContact CD1-CD2 3.98Å; F460-Y468 HydrophobicContact CD1-CD2 3.98Å; F460-Y468 HydrophobicContact CD1-CE1 4.26Å; F460-Y468 AromaticContact CD1-CE2 3.63Å; F460-Y468 HydrophobicContact CD1-CE2 3.63Å; F460-Y468 HydrophobicContact CD1-CG 4.44Å; F460-Y468 AromaticContact CD1-CZ 3.76Å; F460-Y468 HydrophobicContact CE1-CD1 4.32Å; F460-Y468 AromaticContact CE1-CD2 3.63Å; F460-Y468 HydrophobicContact CE1-CD2 3.63Å; F460-Y468 HydrophobicContact CE1-CE1 4.43Å; F460-Y468 AromaticContact CE1-CE2 3.8Å; F460-Y468 HydrophobicContact CE1-CE2 3.8Å; F460-Y468 AromaticContact CE1-CG 3.89Å; F460-Y468 HydrophobicContact CE1-CG 3.89Å; Q466-Y468 HydrophobicContact CB-CE2 4.07Å; Q466-Y468 WeakPolarHBondContact O-CD2 3.16Å; Q466-Y468 WeakPolarHBondContact O-CE2 3.31Å; Y468-L523 WeakPolarHBondContact O-CB 3.49Å; Y468-L523 PolarHBondContact O-N 3.24Å; Y468-G524 PolarHBondContact N-O 2.97Å; Y468-G524 PolarHBondContact O-N 2.87Å; Y468-V526 HydrophobicContact CD2-CB 3.8Å; Y468-V526 HydrophobicContact CD2-CG2 3.9Å; Y468-V526 HydrophobicContact CE2-CB 3.79Å; Y468-V526 HydrophobicContact CE2-CG2 4.39Å; Y468-F564 HydrophobicContact CD1-CD1 4.4Å; Y468-F564 AromaticContact CD1-CE1 3.26Å; Y468-F564 HydrophobicContact CD1-CE1 3.26Å; Y468-F564 HydrophobicContact CD1-CE2 4.26Å; Y468-F564 AromaticContact CD1-CZ 3.18Å; Y468-F564 HydrophobicContact CD1-CZ 3.18Å; Y468-F564 AromaticContact CE1-CE1 3.74Å; Y468-F564 HydrophobicContact CE1-CE1 3.74Å; Y468-F564 AromaticContact CE1-CZ 3.93Å; Y468-F564 HydrophobicContact CE1-CZ 3.93Å; Y468-F564 HydrophobicContact CG-CE1 4.21Å; Y468-F564 HydrophobicContact CG-CE2 4.48Å; Y468-F564 AromaticContact CG-CZ 3.67Å; Y468-F564 HydrophobicContact CG-CZ 3.67Å; Y468-L566 HydrophobicContact CD1-CD2 4.27Å; Y468-L566 HydrophobicContact CD1-CG 3.97Å; Y468-L566 HydrophobicContact CE1-CD2 3.64Å; Y468-L566 HydrophobicContact CE1-CG 3.87Å |
| 469 | S | 85.2 | Confident | 77.9 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.1 | 166.3 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | A521 V565 | S469-A521 WeakPolarHBondContact CA-O 3.48Å; S469-V565 PolarHBondContact N-O 2.86Å; S469-V565 PolarHBondContact O-N 2.95Å |
| 470 | L | 86.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.8 | 176.2 | 176.4 | 74.4 | 0 | 0 | 0 | 107.9 | L456 L472 T520 A521 L523 L540 I542 F564 | L456-L470 HydrophobicContact CD1-CD1 4.48Å; L456-L470 HydrophobicContact CD1-CD2 3.4Å; L456-L470 VanDerWaalsContact CD1-CD2 3.4Å; L456-L470 HydrophobicContact CD1-CG 4.48Å; L470-L472 HydrophobicContact CD2-CD1 3.69Å; L470-L472 HydrophobicContact CG-CD1 3.73Å; L470-T520 CarbonylContact O-C 3.58Å; L470-T520 WeakPolarHBondContact O-CA 3.36Å; L470-A521 PolarHBondContact N-O 3.35Å; L470-A521 PolarHBondContact O-N 3.46Å; L470-L523 HydrophobicContact CB-CD1 3.85Å; L470-L540 HydrophobicContact CD2-CD1 3.8Å; L470-I542 HydrophobicContact CD2-CD1 3.89Å; L470-F564 HydrophobicContact CB-CD2 4.47Å; L470-F564 HydrophobicContact CD1-CB 4.47Å; L470-F564 HydrophobicContact CD1-CD2 4.29Å |
| 471 | K | 85 | Confident | 77 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 24% | 0.235 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.9 | 176.4 | 165.6 | 170.9 | 165.4 | 147.7 | 0 | 109.1 | E518 A519 T520 T562 D563 | K471-E518 WeakPolarHBondContact CD-OE1 3.43Å; K471-E518 WeakPolarHBondContact CE-OE1 3.33Å; K471-E518 WeakPolarHBondContact CE-OE2 3.18Å; K471-E518 HydrophobicContact CG-CG 4.26Å; K471-E518 IonicContact NZ-OE1 3.06Å; K471-E518 PolarHBondContact NZ-OE1 3.5Å; K471-E518 IonicContact NZ-OE2 3.6Å; K471-E518 PolarHBondContact NZ-OE2 2.86Å; K471-A519 CarbonylContact C-O 3.56Å; K471-A519 WeakPolarHBondContact CA-O 3.32Å; K471-T520 HydrophobicContact CB-CG2 4.42Å; K471-T562 CarbonylContact O-C 3.5Å; K471-D563 HydrophobicContact CB-CB 4.08Å; K471-D563 HydrophobicContact CG-CB 4.39Å; K471-D563 PolarHBondContact N-O 2.94Å; K471-D563 PolarHBondContact O-N 3.5Å |
| 472 | L | 85.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.9 | 172.7 | -68.9 | 92.4 | 0 | 0 | 0 | 108.5 | L454 L456 L470 I482 E518 A519 I542 I561 T562 | L454-L472 HydrophobicContact CD2-CD2 3.62Å; L456-L472 HydrophobicContact CD1-CD2 4.37Å; L470-L472 HydrophobicContact CD2-CD1 3.69Å; L470-L472 HydrophobicContact CG-CD1 3.73Å; L472-I482 HydrophobicContact CB-CD1 3.93Å; L472-I482 WeakPolarHBondContact O-CD1 3.29Å; L472-E518 CarbonylContact O-C 3.53Å; L472-E518 WeakPolarHBondContact O-CA 3.45Å; L472-A519 PolarHBondContact N-O 2.88Å; L472-A519 PolarHBondContact O-N 3.02Å; L472-I542 HydrophobicContact CD1-CD1 3.36Å; L472-I542 HydrophobicContact CD2-CD1 3.78Å; L472-I542 HydrophobicContact CD2-CG2 4.29Å; L472-I542 HydrophobicContact CG-CD1 4.22Å; L472-I561 CarbonylContact C-O 3.55Å; L472-I561 WeakPolarHBondContact CA-O 3.35Å; L472-T562 HydrophobicContact CD2-CG2 4Å; L472-T562 HydrophobicContact CG-CG2 4.04Å |
| 473 | K | 84.4 | Confident | 77.4 | Confident | 39 Ų | 39 | 34 Ų | 34 | 17% | 0.17 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.3 | 174.9 | 68.5 | 174.8 | -171 | 154.3 | 0 | 112.7 | S517 E518 L560 I561 | K473-S517 VanDerWaalsContact CA-O 3.31Å; K473-S517 WeakPolarHBondContact CA-O 3.32Å; K473-E518 HydrophobicContact CB-CB 3.98Å; K473-E518 HydrophobicContact CB-CG 4.15Å; K473-L560 CarbonylContact O-C 3.58Å; K473-L560 WeakPolarHBondContact O-CA 3.35Å; K473-I561 HydrophobicContact CG-CB 3.84Å; K473-I561 HydrophobicContact CG-CG2 4.28Å; K473-I561 PolarHBondContact N-O 3.5Å; K473-I561 PolarHBondContact O-N 2.92Å |
| 474 | F | 77.8 | Confident | 77.5 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.5 | 169.8 | -72.3 | -86.9 | 0 | 0 | 0 | 111 | I478 G480 I482 S517 I544 T558 L560 F578 | F474-I478 HydrophobicContact CD2-CG2 4.36Å; F474-G480 WeakPolarHBondContact CE2-O 3.34Å; F474-G480 WeakPolarHBondContact CZ-O 3.33Å; F474-I482 HydrophobicContact CE2-CD1 4.37Å; F474-I482 HydrophobicContact CE2-CG1 3.99Å; F474-S517 WeakPolarHBondContact CD2-O 3.42Å; F474-S517 PolarHBondContact N-O 3.14Å; F474-S517 VanDerWaalsContact N-O 3.16Å; F474-I544 HydrophobicContact CZ-CG2 3.79Å; F474-T558 HydrophobicContact CD1-CG2 3.68Å; F474-T558 HydrophobicContact CE1-CG2 4.02Å; F474-L560 HydrophobicContact CD1-CD2 3.66Å; F474-L560 HydrophobicContact CD1-CG 4.27Å; F474-L560 HydrophobicContact CD2-CD2 4.09Å; F474-L560 HydrophobicContact CE1-CD2 3.51Å; F474-L560 HydrophobicContact CE1-CG 4.1Å; F474-L560 HydrophobicContact CE2-CD2 3.96Å; F474-L560 HydrophobicContact CG-CD2 3.97Å; F474-L560 HydrophobicContact CZ-CD2 3.68Å; F474-F578 AromaticContact CE1-CD1 3.98Å; F474-F578 HydrophobicContact CE1-CD1 3.98Å; F474-F578 HydrophobicContact CE1-CE1 4.16Å; F474-F578 HydrophobicContact CE1-CG 4.37Å |
| 475 | N | 63.6 | Low | 77.9 | Confident | 64 Ų | 64 | 28 Ų | 28 | 34% | 0.342 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -74.9 | -33.4 | -174.8 | -169 | 7.1 | 0 | 0 | 0 | 114 | N559 I561 | N475-N559 HydrophobicContact CB-CB 4.05Å; N475-N559 VanDerWaalsContact CB-O 3.22Å; N475-N559 WeakPolarHBondContact CB-O 3Å; N475-N559 PolarHBondContact N-O 2.8Å; N475-I561 HydrophobicContact CB-CD1 3.69Å; N475-I561 HydrophobicContact CB-CG1 3.94Å; N475-I561 VanDerWaalsContact CG-CD1 3.48Å; N475-I561 WeakPolarHBondContact OD1-CD1 3.36Å |
| 476 | K | 63.1 | Low | 78.3 | Confident | 139 Ų | 139 | 25.6 Ų | 25.6 | 60% | 0.604 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -144.5 | -64.2 | -175.4 | -65.5 | -173.6 | 179.1 | -175.1 | 0 | 112.5 | K913 | K476-K913 PolarHBondContact O-NZ 2.82Å; K476-K913 VanDerWaalsContact O-NZ 3.12Å |
| 477 | F | 64.6 | Low | 78.9 | Confident | 121 Ų | 121 | 25.4 Ų | 25.4 | 53% | 0.531 | 12% | 0.121 | S | C | . | . | trans | -102 | 124.7 | -178.9 | -58.6 | -73.4 | 0 | 0 | 0 | 109.5 | L479 T558 | F477-L479 HydrophobicContact CB-CD2 4.06Å; F477-L479 HydrophobicContact CB-CG 4.15Å; F477-L479 PolarHBondContact O-N 2.89Å; F477-L479 VanDerWaalsContact O-N 3.14Å; F477-T558 PolarHBondContact N-OG1 2.84Å; F477-T558 WeakPolarHBondContact O-CG2 3.29Å; F477-T558 PolarHBondContact O-OG1 2.79Å | ||
| 478 | I | 70 | Confident | 79.2 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | trans | -77.5 | 95.2 | 170.6 | -53.3 | 171.5 | 0 | 0 | 0 | 106.4 | F474 G480 H510 L515 S517 | F474-I478 HydrophobicContact CD2-CG2 4.36Å; I478-G480 VanDerWaalsContact CG2-O 3.27Å; I478-G480 WeakPolarHBondContact CG2-O 3.48Å; I478-H510 HydrophobicContact CD1-CB 4Å; I478-H510 WeakPolarHBondContact CD1-O 3.34Å; I478-L515 HydrophobicContact CB-CD1 4.41Å; I478-L515 HydrophobicContact CG2-CB 4.04Å; I478-L515 HydrophobicContact CG2-CD1 3.8Å; I478-S517 WeakPolarHBondContact CD1-OG 3.19Å | ||
| 479 | L | 71.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | trans | -94.2 | -1.3 | 178.5 | -63.7 | -173.6 | 0 | 0 | 0 | 112.6 | F477 P546 H547 F556 T558 F578 V580 | F477-L479 HydrophobicContact CB-CD2 4.06Å; F477-L479 HydrophobicContact CB-CG 4.15Å; F477-L479 PolarHBondContact O-N 2.89Å; F477-L479 VanDerWaalsContact O-N 3.14Å; L479-P546 WeakPolarHBondContact O-CA 3.4Å; L479-H547 PolarHBondContact O-N 3.19Å; L479-F556 HydrophobicContact CD1-CB 3.88Å; L479-F556 WeakPolarHBondContact CD1-O 3.29Å; L479-F556 HydrophobicContact CD2-CB 3.94Å; L479-T558 HydrophobicContact CB-CG2 4.1Å; L479-T558 HydrophobicContact CD1-CG2 3.57Å; L479-T558 HydrophobicContact CG-CG2 3.76Å; L479-F578 HydrophobicContact CB-CD1 3.88Å; L479-F578 HydrophobicContact CB-CE1 3.69Å; L479-F578 HydrophobicContact CD1-CD1 4.33Å; L479-V580 HydrophobicContact CB-CG2 4.07Å; L479-V580 HydrophobicContact CD1-CG2 4.36Å | ||
| 480 | G | 74.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F474 I478 K545 | F474-G480 WeakPolarHBondContact CE2-O 3.34Å; F474-G480 WeakPolarHBondContact CZ-O 3.33Å; I478-G480 VanDerWaalsContact CG2-O 3.27Å; I478-G480 WeakPolarHBondContact CG2-O 3.48Å; G480-K545 CarbonylContact C-O 3.48Å; G480-K545 VanDerWaalsContact C-O 3.31Å; G480-K545 WeakPolarHBondContact CA-O 3.38Å |
| 481 | E | 78.5 | Confident | 79.6 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.2 | 175 | -60.6 | -175.5 | 97.8 | 0 | 0 | 110.1 | L515 R516 I544 K545 | E481-L515 HydrophobicContact CG-CD2 4.07Å; E481-R516 IonicContact OE1-CZ 2.81Å; E481-R516 IonicContact OE1-NH1 2.69Å; E481-R516 PolarHBondContact OE1-NH1 3.24Å; E481-R516 IonicContact OE1-NH2 3.66Å; E481-R516 PolarHBondContact OE1-NH2 2.77Å; E481-R516 IonicContact OE2-NH2 2.82Å; E481-R516 PolarHBondContact OE2-NH2 3.09Å; E481-R516 VanDerWaalsContact OE2-NH2 3.17Å; E481-I544 WeakPolarHBondContact O-CA 3.45Å; E481-K545 PolarHBondContact N-O 2.8Å; E481-K545 PolarHBondContact O-N 2.95Å; E481-K545 IonicContact OE2-NZ 2.72Å; E481-K545 PolarHBondContact OE2-NZ 3.08Å |
| 482 | I | 83.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.5 | 176.7 | -54.5 | 166.2 | 0 | 0 | 0 | 108.5 | L472 F474 Y507 R516 S517 A519 I542 | L472-I482 HydrophobicContact CB-CD1 3.93Å; L472-I482 WeakPolarHBondContact O-CD1 3.29Å; F474-I482 HydrophobicContact CE2-CD1 4.37Å; F474-I482 HydrophobicContact CE2-CG1 3.99Å; I482-Y507 WeakPolarHBondContact O-CE1 3.37Å; I482-R516 PolarHBondContact N-O 3Å; I482-S517 WeakPolarHBondContact CD1-O 3.42Å; I482-A519 HydrophobicContact CB-CB 3.98Å; I482-A519 HydrophobicContact CD1-CB 4.18Å; I482-A519 HydrophobicContact CG2-CB 3.56Å; I482-I542 HydrophobicContact CG2-CG2 3.83Å |
| 483 | C | 84.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -167.8 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Y507 K543 E657 | C483-Y507 PolarHBondContact O-OH 3.34Å; C483-K543 HydrophobicContact CB-CB 4.12Å; C483-K543 WeakPolarHBondContact CB-O 3.4Å; C483-K543 PolarHBondContact N-O 2.88Å; C483-E657 WeakPolarHBondContact CB-O 3.29Å |
| 484 | Y | 80.8 | Confident | 79.3 | Confident | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 148.5 | 178.4 | -58.4 | -73.4 | 0 | 0 | 0 | 112.9 | I356 R502 Y507 E657 V659 V660 | I356-Y484 HydrophobicContact CB-CE1 4.46Å; I356-Y484 HydrophobicContact CD1-CE1 4.03Å; I356-Y484 WeakPolarHBondContact CD1-OH 3.07Å; Y484-R502 HydrophobicContact CD1-CG 4.21Å; Y484-R502 HydrophobicContact CG-CG 4.32Å; Y484-Y507 WeakPolarHBondContact CA-OH 3.39Å; Y484-Y507 WeakPolarHBondContact CD1-OH 3.4Å; Y484-Y507 PolarHBondContact N-OH 3.37Å; Y484-E657 WeakPolarHBondContact CD2-O 3.42Å; Y484-V659 WeakPolarHBondContact CE2-O 3.06Å; Y484-V659 PolarHBondContact OH-O 3.17Å; Y484-V660 HydrophobicContact CD1-CG2 4.44Å; Y484-V660 HydrophobicContact CD2-CG2 4.05Å; Y484-V660 HydrophobicContact CE1-CG2 4.12Å; Y484-V660 HydrophobicContact CE2-CG2 3.69Å; Y484-V660 HydrophobicContact CG-CG2 4.4Å |
| 485 | A | 85.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L503 A521 I542 | A485-L503 PolarHBondContact O-N 3.34Å; A485-A521 HydrophobicContact CB-CB 3.68Å; A485-I542 HydrophobicContact CB-CD1 4.37Å; A485-I542 HydrophobicContact CB-CG1 4.08Å |
| 486 | T | 85.7 | Confident | 79.8 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.7 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 111 | M501 R502 H541 | T486-M501 WeakPolarHBondContact CA-O 3.47Å; T486-R502 HydrophobicContact CG2-CB 4.3Å; T486-R502 HydrophobicContact CG2-CG 4.38Å; T486-H541 PolarHBondContact N-O 2.87Å; T486-H541 PolarHBondContact O-N 2.79Å |
| 487 | V | 86.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.2 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | I490 G500 M501 L503 I538 L540 | V487-I490 HydrophobicContact CG1-CD1 3.54Å; V487-I490 HydrophobicContact CG1-CG1 3.26Å; V487-G500 PolarHBondContact O-N 2.99Å; V487-M501 HydrophobicContact CB-CB 4.45Å; V487-M501 HydrophobicContact CG2-CB 4.34Å; V487-M501 PolarHBondContact N-O 2.6Å; V487-L503 HydrophobicContact CG2-CD1 4.2Å; V487-L503 HydrophobicContact CG2-CD2 3.97Å; V487-L503 HydrophobicContact CG2-CG 3.97Å; V487-I538 HydrophobicContact CG1-CG2 4.1Å; V487-L540 HydrophobicContact CG2-CD2 3.94Å |
| 488 | I | 84.5 | Confident | 81.5 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -26.5 | -179.3 | 54.8 | 163.4 | 0 | 0 | 0 | 113.3 | I499 I539 H541 | I488-I499 WeakPolarHBondContact O-CG2 3.14Å; I488-I539 HydrophobicContact CD1-CB 4.34Å; I488-I539 HydrophobicContact CD1-CG2 3.58Å; I488-I539 HydrophobicContact CG1-CB 3.91Å; I488-I539 HydrophobicContact CG1-CG2 3.64Å; I488-I539 WeakPolarHBondContact CG1-O 2.87Å; I488-I539 PolarHBondContact N-O 2.89Å; I488-H541 HydrophobicContact CB-CB 4.4Å; I488-H541 HydrophobicContact CD1-CB 4.19Å; I488-H541 HydrophobicContact CG1-CB 4.16Å; I488-H541 HydrophobicContact CG2-CB 3.4Å; I488-H541 VanDerWaalsContact CG2-CB 3.4Å |
| 489 | N | 87.4 | Confident | 82 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150.5 | 175.5 | -160.9 | 2.3 | 0 | 0 | 0 | 110.8 | Y537 I539 | N489-Y537 PolarHBondContact ND2-OH 2.89Å; N489-I539 HydrophobicContact CB-CB 4.07Å; N489-I539 HydrophobicContact CB-CD1 3.89Å; N489-I539 HydrophobicContact CB-CG1 4.03Å; N489-I539 PolarHBondContact O-N 2.76Å |
| 490 | I | 87.8 | Confident | 82.1 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.8 | -175.9 | -53.3 | 171.8 | 0 | 0 | 0 | 108.4 | V487 I494 R497 I498 | V487-I490 HydrophobicContact CG1-CD1 3.54Å; V487-I490 HydrophobicContact CG1-CG1 3.26Å; I490-I494 HydrophobicContact CG2-CB 3.73Å; I490-I494 HydrophobicContact CG2-CG2 4.05Å; I490-R497 HydrophobicContact CD1-CB 3.6Å; I490-R497 VanDerWaalsContact CD1-O 3.32Å; I490-R497 WeakPolarHBondContact CD1-O 3.41Å; I490-I498 WeakPolarHBondContact CD1-O 3.38Å |
| 491 | G | 87.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -65.2 | 142.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G493 I494 K535 Y537 | G491-G493 PolarHBondContact O-N 2.84Å; G491-I494 PolarHBondContact O-N 2.6Å; G491-K535 CarbonylContact C-O 3.56Å; G491-K535 VanDerWaalsContact CA-O 3.27Å; G491-K535 WeakPolarHBondContact CA-O 3.21Å; G491-Y537 VanDerWaalsContact CA-CE1 3.48Å; G491-Y537 PolarHBondContact N-O 2.81Å | ||
| 492 | A | 84.3 | Confident | 82.7 | Confident | 90 Ų | 90 | 39 Ų | 39 | 74% | 0.744 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K535 | A492-K535 PolarHBondContact N-O 2.81Š|
| 493 | G | 83.2 | Confident | 82.9 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G491 K535 | G491-G493 PolarHBondContact O-N 2.84Å; G493-K535 WeakPolarHBondContact CA-O 3.42Å; G493-K535 PolarHBondContact N-O 3.26Å |
| 494 | I | 82.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | trans | -99.2 | 102.1 | -177 | -58 | 174.3 | 0 | 0 | 0 | 109.4 | F460 I490 G491 R497 V526 I538 | F460-I494 HydrophobicContact CD2-CD1 3.93Å; F460-I494 HydrophobicContact CE2-CD1 3.96Å; I490-I494 HydrophobicContact CG2-CB 3.73Å; I490-I494 HydrophobicContact CG2-CG2 4.05Å; G491-I494 PolarHBondContact O-N 2.6Å; I494-R497 HydrophobicContact CG2-CB 4.37Å; I494-R497 HydrophobicContact CG2-CG 4.39Å; I494-V526 HydrophobicContact CD1-CG1 4.12Å; I494-I538 HydrophobicContact CD1-CD1 4.08Å; I494-I538 HydrophobicContact CD1-CG1 3.74Å | ||
| 495 | K | 75.6 | Confident | 83.5 | Confident | 173 Ų | 173 | 39.1 Ų | 39.1 | 75% | 0.752 | 22% | 0.224 | S | C | * | . | trans | -89.7 | -19.7 | -174.1 | -63.9 | -173.3 | 178 | -175.8 | 0 | 115.7 | R497 | K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 3.39Å | ||
| 496 | Q | 76.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 39.6 Ų | 39.6 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -83.9 | 2.8 | -171.7 | -68.8 | 164.6 | -21.2 | 0 | 0 | 114 | I295 | I295-Q496 WeakPolarHBondContact CG2-O 3.17Š|
| 497 | R | 81.9 | Confident | 83.2 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -133.3 | 150.3 | -173.2 | -66.3 | 170.2 | -174.5 | 72.5 | 7.1 | 109 | I295 I490 I494 K495 L523 L525 | I295-R497 HydrophobicContact CD1-CG 4.15Å; I295-R497 HydrophobicContact CG2-CG 4.45Å; I490-R497 HydrophobicContact CD1-CB 3.6Å; I490-R497 VanDerWaalsContact CD1-O 3.32Å; I490-R497 WeakPolarHBondContact CD1-O 3.41Å; I494-R497 HydrophobicContact CG2-CB 4.37Å; I494-R497 HydrophobicContact CG2-CG 4.39Å; K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 3.39Å; R497-L523 PolarHBondContact NE-O 2.74Å; R497-L523 PolarHBondContact NH2-O 3.41Å; R497-L525 PolarHBondContact NH2-O 2.81Å | ||
| 498 | I | 81.5 | Confident | 82.4 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | trans | -125.9 | 156.6 | 178 | 59.4 | 169.1 | 0 | 0 | 0 | 112 | Y390 I490 M501 | Y390-I498 HydrophobicContact CD1-CG2 4.39Å; Y390-I498 HydrophobicContact CD2-CD1 3.89Å; Y390-I498 HydrophobicContact CD2-CG1 4.33Å; Y390-I498 HydrophobicContact CE1-CG2 3.58Å; Y390-I498 HydrophobicContact CE2-CD1 3.85Å; Y390-I498 HydrophobicContact CE2-CG1 4.31Å; Y390-I498 HydrophobicContact CE2-CG2 3.79Å; Y390-I498 HydrophobicContact CG-CD1 4.46Å; Y390-I498 HydrophobicContact CG-CG1 4.46Å; Y390-I498 WeakPolarHBondContact OH-CG2 3.29Å; I490-I498 WeakPolarHBondContact CD1-O 3.38Å; I498-M501 HydrophobicContact CG1-CB 4.03Å; I498-M501 WeakPolarHBondContact O-CB 3.36Å; I498-M501 PolarHBondContact O-N 3.48Å | ||
| 499 | I | 79.2 | Confident | 81.4 | Confident | 111 Ų | 111 | 38.9 Ų | 38.9 | 57% | 0.569 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 139.1 | 171.2 | -61.1 | 172.8 | 0 | 0 | 0 | 109.1 | I488 M501 | I488-I499 WeakPolarHBondContact O-CG2 3.14Å; I499-M501 VanDerWaalsContact C-N 3.3Å |
| 500 | G | 74.8 | Confident | 79.8 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V487 R502 | V487-G500 PolarHBondContact O-N 2.99Å; G500-R502 PolarHBondContact O-N 3.37Å |
| 501 | M | 81.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 123.8 | 175.5 | -175.4 | 172.9 | 153.5 | 0 | 0 | 110.6 | I295 A325 Q392 T486 V487 I498 I499 L503 | I295-M501 HydrophobicContact CB-CE 4.42Å; I295-M501 HydrophobicContact CD1-CE 3.52Å; I295-M501 HydrophobicContact CG1-CE 3.84Å; I295-M501 HydrophobicContact CG2-CE 3.68Å; I295-M501 HydrophobicContact CG2-SD 4.29Å; A325-M501 HydrophobicContact CB-CE 3.52Å; A325-M501 HydrophobicContact CB-CG 3.61Å; A325-M501 HydrophobicContact CB-SD 3.97Å; Q392-M501 HydrophobicContact CB-CE 4.5Å; T486-M501 WeakPolarHBondContact CA-O 3.47Å; V487-M501 HydrophobicContact CB-CB 4.45Å; V487-M501 HydrophobicContact CG2-CB 4.34Å; V487-M501 PolarHBondContact N-O 2.6Å; I498-M501 HydrophobicContact CG1-CB 4.03Å; I498-M501 WeakPolarHBondContact O-CB 3.36Å; I498-M501 PolarHBondContact O-N 3.48Å; I499-M501 VanDerWaalsContact C-N 3.3Å; M501-L503 HydrophobicContact CE-CD2 3.68Å; M501-L503 HydrophobicContact CG-CD2 4.47Å; M501-L503 HydrophobicContact SD-CD2 4.48Å |
| 502 | R | 83.3 | Confident | 75.6 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -82 | 122.2 | 169.8 | -173 | -174.2 | -74.7 | 171.6 | -0.2 | 108.8 | E349 Y484 T486 G500 | E349-R502 IonicContact OE1-CZ 3.66Å; E349-R502 IonicContact OE1-NH1 3.63Å; E349-R502 PolarHBondContact OE1-NH1 3.22Å; Y484-R502 HydrophobicContact CD1-CG 4.21Å; Y484-R502 HydrophobicContact CG-CG 4.32Å; T486-R502 HydrophobicContact CG2-CB 4.3Å; T486-R502 HydrophobicContact CG2-CG 4.38Å; G500-R502 PolarHBondContact O-N 3.37Å |
| 503 | L | 87.7 | Confident | 74 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 145.3 | 179.4 | -63.4 | -175.4 | 0 | 0 | 0 | 111.3 | I295 A485 V487 M501 T505 L523 L540 | I295-L503 HydrophobicContact CD1-CD2 4Å; A485-L503 PolarHBondContact O-N 3.34Å; V487-L503 HydrophobicContact CG2-CD1 4.2Å; V487-L503 HydrophobicContact CG2-CD2 3.97Å; V487-L503 HydrophobicContact CG2-CG 3.97Å; M501-L503 HydrophobicContact CE-CD2 3.68Å; M501-L503 HydrophobicContact CG-CD2 4.47Å; M501-L503 HydrophobicContact SD-CD2 4.48Å; L503-T505 PolarHBondContact O-N 3.28Å; L503-T505 VanDerWaalsContact O-N 3.15Å; L503-T505 PolarHBondContact O-OG1 3.01Å; L503-L523 HydrophobicContact CD1-CG 4.48Å; L503-L540 HydrophobicContact CD1-CD1 4.45Å; L503-L540 HydrophobicContact CD1-CD2 3.52Å; L503-L540 HydrophobicContact CG-CD2 4.5Å |
| 504 | H | 88.8 | Confident | 72.8 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 120.5 | 168.1 | -179.1 | 55.3 | 0 | 0 | 0 | 109.4 | T323 Q392 N395 Y522 | T323-H504 HydrophobicContact CG2-CB 4.17Å; Q392-H504 HydrophobicContact CG-CB 4.14Å; N395-H504 PolarHBondContact OD1-NE2 3.4Å; H504-Y522 AromaticContact CD2-CD2 3.53Å; H504-Y522 AromaticContact CD2-CE2 3.99Å; H504-Y522 PolarHBondContact O-N 2.67Å |
| 505 | T | 87.5 | Confident | 71.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.7 | -176.6 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | S355 L503 Y507 A519 T520 | S355-T505 WeakPolarHBondContact CB-O 3.24Å; L503-T505 PolarHBondContact O-N 3.28Å; L503-T505 VanDerWaalsContact O-N 3.15Å; L503-T505 PolarHBondContact O-OG1 3.01Å; T505-Y507 HydrophobicContact CG2-CD1 4.38Å; T505-Y507 HydrophobicContact CG2-CD2 4.38Å; T505-Y507 HydrophobicContact CG2-CE1 3.88Å; T505-Y507 HydrophobicContact CG2-CE2 3.92Å; T505-Y507 WeakPolarHBondContact O-CD2 3.48Å; T505-Y507 WeakPolarHBondContact O-CE2 3.33Å; T505-A519 HydrophobicContact CG2-CB 3.83Å; T505-T520 WeakPolarHBondContact CA-O 3.22Å |
| 506 | S | 83.2 | Confident | 72 | Confident | 11 Ų | 11 | 33 Ų | 33 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.2 | 171.9 | 62.7 | 0 | 0 | 0 | 0 | 109.6 | D354 A519 T520 Y522 | D354-S506 CarbonylContact O-C 3.54Å; D354-S506 WeakPolarHBondContact O-CA 3.48Å; S506-A519 WeakPolarHBondContact O-CA 3.4Å; S506-T520 PolarHBondContact N-O 3.09Å; S506-T520 PolarHBondContact O-N 3.31Å; S506-Y522 VanDerWaalsContact OG-CE2 3.32Å; S506-Y522 WeakPolarHBondContact OG-CE2 3.35Å; S506-Y522 PolarHBondContact OG-OH 2.8Å |
| 507 | Y | 82.5 | Confident | 71.9 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.2 | -177.5 | -59.2 | -92.5 | 0 | 0 | 0 | 110 | D354 I482 C483 Y484 T505 R516 E518 A519 V660 I662 | D354-Y507 PolarHBondContact O-N 2.84Å; I482-Y507 WeakPolarHBondContact O-CE1 3.37Å; C483-Y507 PolarHBondContact O-OH 3.34Å; Y484-Y507 WeakPolarHBondContact CA-OH 3.39Å; Y484-Y507 WeakPolarHBondContact CD1-OH 3.4Å; Y484-Y507 PolarHBondContact N-OH 3.37Å; T505-Y507 HydrophobicContact CG2-CD1 4.38Å; T505-Y507 HydrophobicContact CG2-CD2 4.38Å; T505-Y507 HydrophobicContact CG2-CE1 3.88Å; T505-Y507 HydrophobicContact CG2-CE2 3.92Å; T505-Y507 WeakPolarHBondContact O-CD2 3.48Å; T505-Y507 WeakPolarHBondContact O-CE2 3.33Å; Y507-R516 HydrophobicContact CD1-CB 4.14Å; Y507-R516 HydrophobicContact CD1-CG 4.21Å; Y507-R516 HydrophobicContact CG-CG 4.42Å; Y507-E518 WeakPolarHBondContact CA-O 3.48Å; Y507-A519 HydrophobicContact CD1-CB 3.79Å; Y507-A519 HydrophobicContact CE1-CB 3.97Å; Y507-V660 HydrophobicContact CD2-CG1 4.31Å; Y507-V660 HydrophobicContact CE1-CG1 4.37Å; Y507-V660 HydrophobicContact CE2-CG1 3.86Å; Y507-I662 HydrophobicContact CD2-CD1 3.1Å; Y507-I662 HydrophobicContact CE2-CD1 3.59Å; Y507-I662 HydrophobicContact CG-CD1 3.87Å |
| 508 | S | 69.3 | Low | 71.8 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.2 | 167.4 | -63.7 | 0 | 0 | 0 | 0 | 108.5 | E518 | S508-E518 PolarHBondContact N-O 3.36Å; S508-E518 PolarHBondContact O-N 2.89Å |
| 509 | M | 62.6 | Low | 72.1 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 17% | 0.172 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.6 | -173 | -69.6 | 170.5 | -69.8 | 0 | 0 | 109.8 | I353 K514 L515 R516 I662 N663 | I353-M509 WeakPolarHBondContact O-CE 3.43Å; M509-K514 HydrophobicContact CB-CB 4.19Å; M509-K514 WeakPolarHBondContact CB-O 3.4Å; M509-K514 VanDerWaalsContact CG-O 3.27Å; M509-K514 WeakPolarHBondContact CG-O 3.26Å; M509-L515 WeakPolarHBondContact CA-O 3.37Å; M509-R516 HydrophobicContact CG-CG 4.08Å; M509-I662 HydrophobicContact CE-CG2 3.63Å; M509-I662 HydrophobicContact SD-CB 4.49Å; M509-I662 HydrophobicContact SD-CG2 3.64Å; M509-N663 HydrophobicContact CE-CB 4.27Å; M509-N663 VanDerWaalsContact CE-CG 3.47Å; M509-N663 WeakPolarHBondContact CE-ND2 3.29Å; M509-N663 HydrophobicContact SD-CB 3.52Å; M509-N663 VanDerWaalsContact SD-CB 3.52Å; M509-N663 PolarHBondContact SD-ND2 3.02Å |
| 510 | H | 54.3 | Low | 72.4 | Confident | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 108.2 | -169.4 | -66.4 | -24.1 | 0 | 0 | 0 | 106.8 | I478 L515 S517 K913 Q914 | I478-H510 HydrophobicContact CD1-CB 4Å; I478-H510 WeakPolarHBondContact CD1-O 3.34Å; H510-L515 PolarHBondContact N-O 2.97Å; H510-L515 PolarHBondContact O-N 3.07Å; H510-S517 VanDerWaalsContact CB-OG 3.27Å; H510-S517 WeakPolarHBondContact CB-OG 3.36Å; H510-S517 PolarHBondContact CD2-OG 3.25Å; H510-K913 VanDerWaalsContact CA-N 3.32Å; H510-K913 VanDerWaalsContact CB-CA 3.48Å; H510-K913 HydrophobicContact CB-CB 4.15Å; H510-K913 HydrophobicContact CB-CG 4.16Å; H510-Q914 WeakPolarHBondContact CE1-CB 3.22Å; H510-Q914 VanDerWaalsContact CE1-CD 3.5Å; H510-Q914 WeakPolarHBondContact CE1-CG 3.35Å; H510-Q914 PolarHBondContact CE1-N 2.85Å; H510-Q914 PolarHBondContact CE1-OE1 2.91Å; H510-Q914 PolarHBondContact ND1-N 2.97Å |
| 511 | G | 47.2 | Very low | 73.1 | Confident | 10 Ų | 10 | 20.9 Ų | 20.9 | 10% | 0.103 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 148.5 | 159.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K514 D912 | G511-K514 WeakPolarHBondContact O-CA 3.21Å; G511-K514 PolarHBondContact O-N 2.92Å; G511-D912 VanDerWaalsContact C-OD1 3.25Å; G511-D912 VanDerWaalsContact CA-CA 3.41Å; G511-D912 WeakPolarHBondContact CA-OD2 3.29Å; G511-D912 VanDerWaalsContact N-CA 3.31Å |
| 512 | I | 40.9 | Very low | 73.4 | Confident | 37 Ų | 37 | 22.5 Ų | 22.5 | 19% | 0.19 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -53.5 | 156.5 | -61.9 | -172.2 | 0 | 0 | 0 | 105.9 | K514 D912 Y1068 L1070 | I512-K514 PolarHBondContact O-N 3.41Å; I512-D912 WeakPolarHBondContact CA-OD1 3.37Å; I512-D912 WeakPolarHBondContact CG1-OD1 3.36Å; I512-D912 PolarHBondContact N-OD1 2.85Å; I512-D912 PolarHBondContact N-OD2 2.75Å; I512-D912 VanDerWaalsContact N-OD2 3.12Å; I512-Y1068 HydrophobicContact CD1-CE1 4.37Å; I512-Y1068 HydrophobicContact CD1-CE2 3.74Å; I512-Y1068 VanDerWaalsContact CD1-OH 3.23Å; I512-Y1068 WeakPolarHBondContact CD1-OH 3.18Å; I512-Y1068 HydrophobicContact CG1-CE2 4.03Å; I512-Y1068 WeakPolarHBondContact CG1-OH 3.4Å; I512-L1070 HydrophobicContact CB-CD1 3.66Å; I512-L1070 HydrophobicContact CD1-CD1 3.67Å; I512-L1070 HydrophobicContact CG1-CD1 3.33Å; I512-L1070 HydrophobicContact CG2-CD1 3.3Å; I512-L1070 HydrophobicContact CG2-CG 4.31Å |
| 513 | N | 50.2 | Low | 73.5 | Confident | 74 Ų | 74 | 20.6 Ų | 20.6 | 40% | 0.396 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 5.3 | -178.2 | -54 | 2 | 0 | 0 | 0 | 110.9 | L515 | N513-L515 HydrophobicContact CB-CD2 3.82Å; N513-L515 HydrophobicContact CB-CG 3.86Å; N513-L515 PolarHBondContact O-N 2.97Å |
| 514 | K | 57.9 | Low | 73.3 | Confident | 111 Ų | 111 | 20.3 Ų | 20.3 | 48% | 0.483 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 42.8 | -178.8 | -71.5 | 161.9 | 163.7 | -172 | 0 | 112.2 | M509 G511 I512 R516 N663 | M509-K514 HydrophobicContact CB-CB 4.19Å; M509-K514 WeakPolarHBondContact CB-O 3.4Å; M509-K514 VanDerWaalsContact CG-O 3.27Å; M509-K514 WeakPolarHBondContact CG-O 3.26Å; G511-K514 WeakPolarHBondContact O-CA 3.21Å; G511-K514 PolarHBondContact O-N 2.92Å; I512-K514 PolarHBondContact O-N 3.41Å; K514-R516 PolarHBondContact O-N 2.87Å; K514-N663 HydrophobicContact CB-CB 4.25Å; K514-N663 HydrophobicContact CD-CB 4.18Å; K514-N663 WeakPolarHBondContact CD-ND2 2.77Å |
| 515 | L | 63.7 | Low | 72.9 | Confident | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 136.5 | -173.8 | -61.4 | 173.7 | 0 | 0 | 0 | 110.6 | I478 E481 M509 H510 N513 S517 | I478-L515 HydrophobicContact CB-CD1 4.41Å; I478-L515 HydrophobicContact CG2-CB 4.04Å; I478-L515 HydrophobicContact CG2-CD1 3.8Å; E481-L515 HydrophobicContact CG-CD2 4.07Å; M509-L515 WeakPolarHBondContact CA-O 3.37Å; H510-L515 PolarHBondContact N-O 2.97Å; H510-L515 PolarHBondContact O-N 3.07Å; N513-L515 HydrophobicContact CB-CD2 3.82Å; N513-L515 HydrophobicContact CB-CG 3.86Å; N513-L515 PolarHBondContact O-N 2.97Å; L515-S517 PolarHBondContact O-N 2.96Å |
| 516 | R | 77.4 | Confident | 72.7 | Confident | 11 Ų | 11 | 21.3 Ų | 21.3 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 75.4 | 175.3 | -64.9 | 177.6 | -55.7 | -68.6 | -4.4 | 110.3 | E481 I482 Y507 M509 K514 V660 | E481-R516 IonicContact OE1-CZ 2.81Å; E481-R516 IonicContact OE1-NH1 2.69Å; E481-R516 PolarHBondContact OE1-NH1 3.24Å; E481-R516 IonicContact OE1-NH2 3.66Å; E481-R516 PolarHBondContact OE1-NH2 2.77Å; E481-R516 IonicContact OE2-NH2 2.82Å; E481-R516 PolarHBondContact OE2-NH2 3.09Å; E481-R516 VanDerWaalsContact OE2-NH2 3.17Å; I482-R516 PolarHBondContact N-O 3Å; Y507-R516 HydrophobicContact CD1-CB 4.14Å; Y507-R516 HydrophobicContact CD1-CG 4.21Å; Y507-R516 HydrophobicContact CG-CG 4.42Å; M509-R516 HydrophobicContact CG-CG 4.08Å; K514-R516 PolarHBondContact O-N 2.87Å; R516-V660 PolarHBondContact NH1-O 2.81Å |
| 517 | S | 73.2 | Confident | 72.6 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -7 | -178 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | K473 F474 I478 I482 H510 L515 | K473-S517 VanDerWaalsContact CA-O 3.31Å; K473-S517 WeakPolarHBondContact CA-O 3.32Å; F474-S517 WeakPolarHBondContact CD2-O 3.42Å; F474-S517 PolarHBondContact N-O 3.14Å; F474-S517 VanDerWaalsContact N-O 3.16Å; I478-S517 WeakPolarHBondContact CD1-OG 3.19Å; I482-S517 WeakPolarHBondContact CD1-O 3.42Å; H510-S517 VanDerWaalsContact CB-OG 3.27Å; H510-S517 WeakPolarHBondContact CB-OG 3.36Å; H510-S517 PolarHBondContact CD2-OG 3.25Å; L515-S517 PolarHBondContact O-N 2.96Å |
| 518 | E | 81 | Confident | 72.7 | Confident | 16 Ų | 16 | 25.1 Ų | 25.1 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.7 | 166.7 | 170.9 | -179.3 | 149.5 | 0 | 0 | 110.4 | K471 L472 K473 Y507 S508 | K471-E518 WeakPolarHBondContact CD-OE1 3.43Å; K471-E518 WeakPolarHBondContact CE-OE1 3.33Å; K471-E518 WeakPolarHBondContact CE-OE2 3.18Å; K471-E518 HydrophobicContact CG-CG 4.26Å; K471-E518 IonicContact NZ-OE1 3.06Å; K471-E518 PolarHBondContact NZ-OE1 3.5Å; K471-E518 IonicContact NZ-OE2 3.6Å; K471-E518 PolarHBondContact NZ-OE2 2.86Å; L472-E518 CarbonylContact O-C 3.53Å; L472-E518 WeakPolarHBondContact O-CA 3.45Å; K473-E518 HydrophobicContact CB-CB 3.98Å; K473-E518 HydrophobicContact CB-CG 4.15Å; Y507-E518 WeakPolarHBondContact CA-O 3.48Å; S508-E518 PolarHBondContact N-O 3.36Å; S508-E518 PolarHBondContact O-N 2.89Å |
| 519 | A | 86.8 | Confident | 73.3 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K471 L472 I482 T505 S506 Y507 | K471-A519 CarbonylContact C-O 3.56Å; K471-A519 WeakPolarHBondContact CA-O 3.32Å; L472-A519 PolarHBondContact N-O 2.88Å; L472-A519 PolarHBondContact O-N 3.02Å; I482-A519 HydrophobicContact CB-CB 3.98Å; I482-A519 HydrophobicContact CD1-CB 4.18Å; I482-A519 HydrophobicContact CG2-CB 3.56Å; T505-A519 HydrophobicContact CG2-CB 3.83Å; S506-A519 WeakPolarHBondContact O-CA 3.4Å; Y507-A519 HydrophobicContact CD1-CB 3.79Å; Y507-A519 HydrophobicContact CE1-CB 3.97Å |
| 520 | T | 86.5 | Confident | 74.2 | Confident | 14 Ų | 14 | 28.9 Ų | 28.9 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 104.7 | 172.8 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | L470 K471 T505 S506 Y522 | L470-T520 CarbonylContact O-C 3.58Å; L470-T520 WeakPolarHBondContact O-CA 3.36Å; K471-T520 HydrophobicContact CB-CG2 4.42Å; T505-T520 WeakPolarHBondContact CA-O 3.22Å; S506-T520 PolarHBondContact N-O 3.09Å; S506-T520 PolarHBondContact O-N 3.31Å; T520-Y522 HydrophobicContact CG2-CD1 4.47Å; T520-Y522 HydrophobicContact CG2-CE1 3.95Å; T520-Y522 HydrophobicContact CG2-CE2 4.07Å; T520-Y522 WeakPolarHBondContact O-CD2 3.38Å; T520-Y522 WeakPolarHBondContact O-CE2 3.41Å |
| 521 | A | 89.4 | Confident | 75.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S469 L470 A485 | S469-A521 WeakPolarHBondContact CA-O 3.48Å; L470-A521 PolarHBondContact N-O 3.35Å; L470-A521 PolarHBondContact O-N 3.46Å; A485-A521 HydrophobicContact CB-CB 3.68Å |
| 522 | Y | 87.5 | Confident | 76.8 | Confident | 34 Ų | 34 | 36 Ų | 36 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.5 | 179.7 | -63.4 | -86.1 | 0 | 0 | 0 | 109.7 | T293 Q392 N395 H504 S506 T520 | T293-Y522 HydrophobicContact CG2-CD1 3.43Å; T293-Y522 VanDerWaalsContact CG2-CD1 3.43Å; T293-Y522 HydrophobicContact CG2-CE1 4.02Å; T293-Y522 HydrophobicContact CG2-CG 3.93Å; Q392-Y522 PolarHBondContact NE2-O 2.75Å; N395-Y522 HydrophobicContact CB-CD1 4.27Å; N395-Y522 HydrophobicContact CB-CD2 4.38Å; N395-Y522 HydrophobicContact CB-CE1 3.7Å; N395-Y522 HydrophobicContact CB-CE2 3.84Å; N395-Y522 VanDerWaalsContact CB-CZ 3.48Å; N395-Y522 PolarHBondContact ND2-OH 2.91Å; H504-Y522 AromaticContact CD2-CD2 3.53Å; H504-Y522 AromaticContact CD2-CE2 3.99Å; H504-Y522 PolarHBondContact O-N 2.67Å; S506-Y522 VanDerWaalsContact OG-CE2 3.32Å; S506-Y522 WeakPolarHBondContact OG-CE2 3.35Å; S506-Y522 PolarHBondContact OG-OH 2.8Å; T520-Y522 HydrophobicContact CG2-CD1 4.47Å; T520-Y522 HydrophobicContact CG2-CE1 3.95Å; T520-Y522 HydrophobicContact CG2-CE2 4.07Å; T520-Y522 WeakPolarHBondContact O-CD2 3.38Å; T520-Y522 WeakPolarHBondContact O-CE2 3.41Å |
| 523 | L | 86.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -21.7 | 175.1 | -66 | 89.6 | 0 | 0 | 0 | 111.3 | I295 I458 F460 Y468 L470 R497 L503 I538 L540 F564 | I295-L523 WeakPolarHBondContact CD1-O 3.47Å; I458-L523 HydrophobicContact CD1-CD2 3.79Å; F460-L523 HydrophobicContact CZ-CD2 3.96Å; Y468-L523 WeakPolarHBondContact O-CB 3.49Å; Y468-L523 PolarHBondContact O-N 3.24Å; L470-L523 HydrophobicContact CB-CD1 3.85Å; R497-L523 PolarHBondContact NE-O 2.74Å; R497-L523 PolarHBondContact NH2-O 3.41Å; L503-L523 HydrophobicContact CD1-CG 4.48Å; L523-I538 HydrophobicContact CD2-CD1 4.29Å; L523-L540 HydrophobicContact CD1-CD1 4.43Å; L523-L540 HydrophobicContact CD2-CD1 4.24Å; L523-L540 HydrophobicContact CG-CD1 4.35Å; L523-F564 HydrophobicContact CD1-CE2 4.25Å; L523-F564 HydrophobicContact CD2-CE2 4.41Å |
| 524 | G | 82.7 | Confident | 80 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.8 | -162.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T293 T467 Y468 V526 | T293-G524 WeakPolarHBondContact O-CA 3.49Å; T467-G524 WeakPolarHBondContact CA-O 3.49Å; Y468-G524 PolarHBondContact N-O 2.97Å; Y468-G524 PolarHBondContact O-N 2.87Å; G524-V526 PolarHBondContact O-N 2.85Å |
| 525 | L | 80.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.7 | 178.1 | -172.1 | 65.3 | 0 | 0 | 0 | 110 | I291 D294 K465 R497 | I291-L525 HydrophobicContact CD1-CB 4.19Å; I291-L525 HydrophobicContact CD1-CD1 4.21Å; I291-L525 HydrophobicContact CD1-CD2 4.14Å; I291-L525 HydrophobicContact CD1-CG 4.42Å; D294-L525 VanDerWaalsContact OD1-CB 3.32Å; D294-L525 WeakPolarHBondContact OD1-CB 3.14Å; K465-L525 HydrophobicContact CG-CD1 4.11Å; R497-L525 PolarHBondContact NH2-O 2.81Å |
| 526 | V | 82.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | 173.4 | -174 | 0 | 0 | 0 | 0 | 108.5 | F460 K465 Q466 Y468 I494 G524 | F460-V526 HydrophobicContact CB-CG1 4.44Å; F460-V526 HydrophobicContact CD1-CB 4.09Å; F460-V526 HydrophobicContact CD1-CG1 3.87Å; F460-V526 HydrophobicContact CD2-CG1 3.77Å; F460-V526 HydrophobicContact CE1-CB 3.99Å; F460-V526 HydrophobicContact CE1-CG1 4.02Å; F460-V526 HydrophobicContact CE1-CG2 3.9Å; F460-V526 HydrophobicContact CE2-CG1 3.95Å; F460-V526 HydrophobicContact CE2-CG2 4.47Å; F460-V526 HydrophobicContact CG-CB 4.47Å; F460-V526 HydrophobicContact CG-CG1 3.75Å; F460-V526 HydrophobicContact CZ-CB 4.31Å; F460-V526 HydrophobicContact CZ-CG1 4.07Å; F460-V526 HydrophobicContact CZ-CG2 3.9Å; K465-V526 WeakPolarHBondContact CA-O 3.33Å; Q466-V526 PolarHBondContact N-O 2.96Å; Q466-V526 PolarHBondContact O-N 3.5Å; Y468-V526 HydrophobicContact CD2-CB 3.8Å; Y468-V526 HydrophobicContact CD2-CG2 3.9Å; Y468-V526 HydrophobicContact CE2-CB 3.79Å; Y468-V526 HydrophobicContact CE2-CG2 4.39Å; I494-V526 HydrophobicContact CD1-CG1 4.12Å; G524-V526 PolarHBondContact O-N 2.85Å |
| 527 | E | 82.2 | Confident | 83 | Confident | 98 Ų | 98 | 41.7 Ų | 41.7 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.2 | 176.8 | -172.4 | 173.7 | 169.2 | 0 | 0 | 109.7 | S464 K465 | S464-E527 CarbonylContact O-C 3.52Å; S464-E527 WeakPolarHBondContact O-CA 3.48Å; K465-E527 HydrophobicContact CB-CB 4.44Å; K465-E527 HydrophobicContact CB-CG 4.1Å; K465-E527 HydrophobicContact CD-CG 4.41Å; K465-E527 HydrophobicContact CG-CB 4.14Å; K465-E527 HydrophobicContact CG-CG 4.08Å |
| 528 | N | 84.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 94.7 | 164.3 | -180 | -5.5 | 0 | 0 | 0 | 107.5 | F460 P461 K463 S464 T530 D532 H536 | F460-N528 PolarHBondContact O-ND2 2.95Å; P461-N528 WeakPolarHBondContact O-CB 3.48Å; P461-N528 PolarHBondContact O-ND2 2.82Å; K463-N528 CarbonylContact C-O 3.44Å; K463-N528 WeakPolarHBondContact CA-O 3.5Å; K463-N528 PolarHBondContact N-O 2.98Å; S464-N528 PolarHBondContact N-O 2.88Å; S464-N528 PolarHBondContact O-N 2.83Å; N528-T530 PolarHBondContact O-N 2.87Å; N528-T530 PolarHBondContact OD1-N 2.81Å; N528-T530 VanDerWaalsContact OD1-N 3.09Å; N528-T530 PolarHBondContact OD1-O 2.81Å; N528-T530 PolarHBondContact OD1-OG1 3Å; N528-D532 PolarHBondContact ND2-O 2.93Å; N528-H536 HydrophobicContact CB-CB 4.11Å; N528-H536 VanDerWaalsContact CG-CG 3.43Å; N528-H536 PolarHBondContact OD1-CE1 2.55Å; N528-H536 VanDerWaalsContact OD1-CE1 3.25Å; N528-H536 PolarHBondContact OD1-ND1 3.26Å |
| 529 | P | 80.7 | Confident | 84.1 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | trans | -78.5 | -9.1 | -178.2 | 32 | -33.3 | 0 | 0 | 0 | 112.7 | ||||
| 530 | T | 82.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 42 Ų | 42 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -101.7 | 175 | -173.5 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | S462 K463 N528 D532 H536 | S462-T530 CarbonylContact C-O 3.57Å; S462-T530 VanDerWaalsContact CA-O 3.29Å; S462-T530 WeakPolarHBondContact CA-O 3.46Å; S462-T530 WeakPolarHBondContact CB-O 3.33Å; K463-T530 PolarHBondContact N-O 2.92Å; N528-T530 PolarHBondContact O-N 2.87Å; N528-T530 PolarHBondContact OD1-N 2.81Å; N528-T530 VanDerWaalsContact OD1-N 3.09Å; N528-T530 PolarHBondContact OD1-O 2.81Å; N528-T530 PolarHBondContact OD1-OG1 3Å; T530-D532 PolarHBondContact OG1-N 2.93Å; T530-D532 PolarHBondContact OG1-O 2.88Å; T530-H536 PolarHBondContact OG1-CE1 3.15Å |
| 531 | N | 77.1 | Confident | 84 | Confident | 118 Ų | 118 | 42.3 Ų | 42.3 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -84.1 | 0.2 | 168.8 | -70.2 | -18.7 | 0 | 0 | 0 | 112.7 | K463 | K463-N531 WeakPolarHBondContact CE-OD1 3.48Š|
| 532 | D | 80 | Confident | 83.8 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | trans | -102.3 | 111.2 | -171.6 | -178.4 | 7.1 | 0 | 0 | 0 | 110.7 | N528 T530 T534 K535 H536 | N528-D532 PolarHBondContact ND2-O 2.93Å; T530-D532 PolarHBondContact OG1-N 2.93Å; T530-D532 PolarHBondContact OG1-O 2.88Å; D532-T534 WeakPolarHBondContact OD1-CB 3.48Å; D532-T534 PolarHBondContact OD1-N 3.12Å; D532-T534 PolarHBondContact OD1-OG1 2.75Å; D532-T534 PolarHBondContact OD2-OG1 2.85Å; D532-K535 WeakPolarHBondContact OD2-CD 3.46Å; D532-K535 WeakPolarHBondContact OD2-CG 3.18Å; D532-H536 PolarHBondContact O-ND1 2.95Å | ||
| 533 | I | 79 | Confident | 83.5 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -81.7 | -22.3 | 175.5 | 61.9 | 173.7 | 0 | 0 | 0 | 112.4 | F460 K535 H536 | F460-I533 WeakPolarHBondContact O-CG2 3.22Å; I533-K535 PolarHBondContact O-N 3.36Å; I533-H536 PolarHBondContact O-N 3.43Å; I533-H536 VanDerWaalsContact O-N 3.1Å |
| 534 | T | 79.1 | Confident | 83.2 | Confident | 98 Ų | 98 | 41.7 Ų | 41.7 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -22.5 | -171.7 | 68.4 | 0 | 0 | 0 | 0 | 113.1 | D532 Y537 | D532-T534 WeakPolarHBondContact OD1-CB 3.48Å; D532-T534 PolarHBondContact OD1-N 3.12Å; D532-T534 PolarHBondContact OD1-OG1 2.75Å; D532-T534 PolarHBondContact OD2-OG1 2.85Å; T534-Y537 VanDerWaalsContact O-CD1 3.25Å; T534-Y537 WeakPolarHBondContact O-CD1 3.04Å; T534-Y537 WeakPolarHBondContact O-CE1 3.44Å |
| 535 | K | 84.1 | Confident | 82.9 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 52% | 0.522 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2.6 | 175.4 | -61.4 | -177 | -172.4 | -178.6 | 0 | 113.7 | G491 A492 G493 D532 I533 | G491-K535 CarbonylContact C-O 3.56Å; G491-K535 VanDerWaalsContact CA-O 3.27Å; G491-K535 WeakPolarHBondContact CA-O 3.21Å; A492-K535 PolarHBondContact N-O 2.81Å; G493-K535 WeakPolarHBondContact CA-O 3.42Å; G493-K535 PolarHBondContact N-O 3.26Å; D532-K535 WeakPolarHBondContact OD2-CD 3.46Å; D532-K535 WeakPolarHBondContact OD2-CG 3.18Å; I533-K535 PolarHBondContact O-N 3.36Å |
| 536 | H | 88.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -120.9 | 70.7 | -176.4 | -62.6 | 88.1 | 0 | 0 | 0 | 109.9 | F460 N528 T530 D532 I533 | F460-H536 WeakPolarHBondContact CD2-O 3.31Å; F460-H536 PolarHBondContact N-O 3.42Å; N528-H536 HydrophobicContact CB-CB 4.11Å; N528-H536 VanDerWaalsContact CG-CG 3.43Å; N528-H536 PolarHBondContact OD1-CE1 2.55Å; N528-H536 VanDerWaalsContact OD1-CE1 3.25Å; N528-H536 PolarHBondContact OD1-ND1 3.26Å; T530-H536 PolarHBondContact OG1-CE1 3.15Å; D532-H536 PolarHBondContact O-ND1 2.95Å; I533-H536 PolarHBondContact O-N 3.43Å; I533-H536 VanDerWaalsContact O-N 3.1Å |
| 537 | Y | 88.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.9 | 175.4 | 70 | -91.7 | 0 | 0 | 0 | 111.4 | I458 N489 G491 T534 I539 | I458-Y537 CarbonylContact O-C 3.51Å; I458-Y537 WeakPolarHBondContact O-CA 3.42Å; I458-Y537 WeakPolarHBondContact O-CB 3.5Å; N489-Y537 PolarHBondContact ND2-OH 2.89Å; G491-Y537 VanDerWaalsContact CA-CE1 3.48Å; G491-Y537 PolarHBondContact N-O 2.81Å; T534-Y537 VanDerWaalsContact O-CD1 3.25Å; T534-Y537 WeakPolarHBondContact O-CD1 3.04Å; T534-Y537 WeakPolarHBondContact O-CE1 3.44Å; Y537-I539 HydrophobicContact CD2-CD1 4.39Å; Y537-I539 HydrophobicContact CD2-CG1 3.84Å; Y537-I539 HydrophobicContact CE2-CD1 4.05Å; Y537-I539 HydrophobicContact CE2-CG1 3.89Å |
| 538 | I | 89.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.2 | 169.8 | -67.2 | 169.5 | 0 | 0 | 0 | 107.7 | I458 F460 V487 I494 L523 L540 | I458-I538 PolarHBondContact N-O 2.93Å; I458-I538 PolarHBondContact O-N 2.93Å; F460-I538 HydrophobicContact CE2-CB 4.18Å; F460-I538 HydrophobicContact CE2-CD1 3.76Å; F460-I538 HydrophobicContact CE2-CG1 3.83Å; F460-I538 HydrophobicContact CZ-CD1 3.92Å; F460-I538 HydrophobicContact CZ-CG1 4.41Å; V487-I538 HydrophobicContact CG1-CG2 4.1Å; I494-I538 HydrophobicContact CD1-CD1 4.08Å; I494-I538 HydrophobicContact CD1-CG1 3.74Å; L523-I538 HydrophobicContact CD2-CD1 4.29Å; I538-L540 HydrophobicContact CG2-CD2 3.67Å; I538-L540 HydrophobicContact CG2-CG 4Å |
| 539 | I | 88.8 | Confident | 79.2 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.4 | 169.1 | -48.9 | -173.7 | 0 | 0 | 0 | 108.4 | N455 L456 T457 I488 N489 Y537 | N455-I539 HydrophobicContact CB-CG2 4.48Å; L456-I539 WeakPolarHBondContact O-CA 3.34Å; T457-I539 HydrophobicContact CG2-CG1 4.21Å; I488-I539 HydrophobicContact CD1-CB 4.34Å; I488-I539 HydrophobicContact CD1-CG2 3.58Å; I488-I539 HydrophobicContact CG1-CB 3.91Å; I488-I539 HydrophobicContact CG1-CG2 3.64Å; I488-I539 WeakPolarHBondContact CG1-O 2.87Å; I488-I539 PolarHBondContact N-O 2.89Å; N489-I539 HydrophobicContact CB-CB 4.07Å; N489-I539 HydrophobicContact CB-CD1 3.89Å; N489-I539 HydrophobicContact CB-CG1 4.03Å; N489-I539 PolarHBondContact O-N 2.76Å; Y537-I539 HydrophobicContact CD2-CD1 4.39Å; Y537-I539 HydrophobicContact CD2-CG1 3.84Å; Y537-I539 HydrophobicContact CE2-CD1 4.05Å; Y537-I539 HydrophobicContact CE2-CG1 3.89Å |
| 540 | L | 87.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.6 | 175.8 | -62.3 | 179 | 0 | 0 | 0 | 109.9 | N455 L456 I458 L470 V487 L503 L523 I538 | N455-L540 WeakPolarHBondContact CA-O 3.48Å; L456-L540 HydrophobicContact CB-CB 4.48Å; L456-L540 PolarHBondContact N-O 2.99Å; L456-L540 PolarHBondContact O-N 2.97Å; I458-L540 HydrophobicContact CD1-CD1 3.81Å; I458-L540 HydrophobicContact CD1-CG 4.36Å; L470-L540 HydrophobicContact CD2-CD1 3.8Å; V487-L540 HydrophobicContact CG2-CD2 3.94Å; L503-L540 HydrophobicContact CD1-CD1 4.45Å; L503-L540 HydrophobicContact CD1-CD2 3.52Å; L503-L540 HydrophobicContact CG-CD2 4.5Å; L523-L540 HydrophobicContact CD1-CD1 4.43Å; L523-L540 HydrophobicContact CD2-CD1 4.24Å; L523-L540 HydrophobicContact CG-CD1 4.35Å; I538-L540 HydrophobicContact CG2-CD2 3.67Å; I538-L540 HydrophobicContact CG2-CG 4Å |
| 541 | H | 84.2 | Confident | 76.1 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.7 | 169.1 | -175.9 | -149.4 | 0 | 0 | 0 | 109 | E453 N455 T486 I488 K543 | E453-H541 WeakPolarHBondContact CB-NE2 3.43Å; E453-H541 WeakPolarHBondContact CG-NE2 3.36Å; E453-H541 IonicContact OE2-NE2 2.66Å; N455-H541 PolarHBondContact OD1-CD2 3.21Å; T486-H541 PolarHBondContact N-O 2.87Å; T486-H541 PolarHBondContact O-N 2.79Å; I488-H541 HydrophobicContact CB-CB 4.4Å; I488-H541 HydrophobicContact CD1-CB 4.19Å; I488-H541 HydrophobicContact CG1-CB 4.16Å; I488-H541 HydrophobicContact CG2-CB 3.4Å; I488-H541 VanDerWaalsContact CG2-CB 3.4Å; H541-K543 WeakPolarHBondContact CE1-CE 2.94Å |
| 542 | I | 84.6 | Confident | 74.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.6 | 179.5 | -54.5 | -178.9 | 0 | 0 | 0 | 107.4 | L454 L456 L470 L472 I482 A485 | L454-I542 WeakPolarHBondContact CB-O 3.14Å; L454-I542 PolarHBondContact N-O 2.69Å; L454-I542 PolarHBondContact O-N 3.43Å; L456-I542 HydrophobicContact CD1-CD1 3.82Å; L470-I542 HydrophobicContact CD2-CD1 3.89Å; L472-I542 HydrophobicContact CD1-CD1 3.36Å; L472-I542 HydrophobicContact CD2-CD1 3.78Å; L472-I542 HydrophobicContact CD2-CG2 4.29Å; L472-I542 HydrophobicContact CG-CD1 4.22Å; I482-I542 HydrophobicContact CG2-CG2 3.83Å; A485-I542 HydrophobicContact CB-CD1 4.37Å; A485-I542 HydrophobicContact CB-CG1 4.08Å |
| 543 | K | 80.5 | Confident | 72.8 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 138.2 | 174.8 | -72.4 | 172.9 | 171.2 | -175.9 | 0 | 109.6 | L451 C452 E453 C483 H541 E657 | L451-K543 HydrophobicContact CD1-CB 4.23Å; L451-K543 HydrophobicContact CD1-CD 3.71Å; L451-K543 HydrophobicContact CD1-CG 4.21Å; C452-K543 CarbonylContact O-C 3.57Å; C452-K543 WeakPolarHBondContact O-CA 3.16Å; E453-K543 HydrophobicContact CG-CG 4.48Å; C483-K543 HydrophobicContact CB-CB 4.12Å; C483-K543 WeakPolarHBondContact CB-O 3.4Å; C483-K543 PolarHBondContact N-O 2.88Å; H541-K543 WeakPolarHBondContact CE1-CE 2.94Å; K543-E657 HydrophobicContact CD-CB 4.41Å; K543-E657 VanDerWaalsContact CD-OE2 3.27Å; K543-E657 WeakPolarHBondContact CD-OE2 3.14Å; K543-E657 WeakPolarHBondContact CE-OE2 3.22Å; K543-E657 IonicContact NZ-OE2 2.61Å; K543-E657 PolarHBondContact NZ-OE2 2.93Å |
| 544 | I | 80.5 | Confident | 71.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.4 | 176.1 | -54.3 | 173.2 | 0 | 0 | 0 | 107.4 | C452 F474 E481 P546 L560 F578 | C452-I544 HydrophobicContact CB-CB 4.08Å; C452-I544 PolarHBondContact N-O 2.78Å; C452-I544 PolarHBondContact O-N 2.98Å; F474-I544 HydrophobicContact CZ-CG2 3.79Å; E481-I544 WeakPolarHBondContact O-CA 3.45Å; I544-P546 WeakPolarHBondContact O-CD 3.34Å; I544-L560 HydrophobicContact CD1-CD1 3.24Å; I544-L560 HydrophobicContact CD1-CD2 3.99Å; I544-L560 HydrophobicContact CD1-CG 4.25Å; I544-F578 HydrophobicContact CB-CE2 4.14Å; I544-F578 HydrophobicContact CG2-CE2 3.77Å; I544-F578 HydrophobicContact CG2-CZ 3.84Å |
| 545 | K | 76.9 | Confident | 70.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.5 | -179 | 175.2 | -168.4 | 154.2 | -170.8 | 0 | 109.7 | L451 G480 E481 S679 | L451-K545 HydrophobicContact CD2-CB 3.9Å; L451-K545 HydrophobicContact CD2-CG 4.34Å; G480-K545 CarbonylContact C-O 3.48Å; G480-K545 VanDerWaalsContact C-O 3.31Å; G480-K545 WeakPolarHBondContact CA-O 3.38Å; E481-K545 PolarHBondContact N-O 2.8Å; E481-K545 PolarHBondContact O-N 2.95Å; E481-K545 IonicContact OE2-NZ 2.72Å; E481-K545 PolarHBondContact OE2-NZ 3.08Å; K545-S679 WeakPolarHBondContact CD-OG 3.3Å; K545-S679 WeakPolarHBondContact CE-OG 3.4Å; K545-S679 PolarHBondContact NZ-OG 2.82Å |
| 546 | P | 73.5 | Confident | 69.4 | Low | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 151.1 | 176.2 | 28 | -33.3 | 0 | 0 | 0 | 112.6 | V446 K450 L479 I544 F578 V580 | V446-P546 HydrophobicContact CG1-CG 4.26Å; K450-P546 WeakPolarHBondContact O-CD 3.32Å; K450-P546 WeakPolarHBondContact O-CG 3.38Å; L479-P546 WeakPolarHBondContact O-CA 3.4Å; I544-P546 WeakPolarHBondContact O-CD 3.34Å; P546-F578 HydrophobicContact CB-CZ 4.43Å; P546-V580 HydrophobicContact CB-CG1 4Å; P546-V580 HydrophobicContact CB-CG2 4.04Å |
| 547 | H | 67.1 | Low | 68.4 | Low | 29 Ų | 29 | 55.2 Ų | 55.2 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -91.6 | 126.4 | 179.6 | -159.9 | -96.5 | 0 | 0 | 0 | 111.9 | L479 E549 | L479-H547 PolarHBondContact O-N 3.19Å; H547-E549 IonicContact CE1-OE2 2.77Å; H547-E549 PolarHBondContact CE1-OE2 3.41Å; H547-E549 PolarHBondContact ND1-N 3.13Å | ||
| 548 | L | 57 | Low | 67.7 | Low | 65 Ų | 65 | 52.9 Ų | 52.9 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -68 | -41.4 | -175.1 | -137.7 | 98.6 | 0 | 0 | 0 | 112.6 | K550 S551 | L548-K550 VanDerWaalsContact C-N 3.35Å; L548-K550 PolarHBondContact O-N 3.05Å; L548-S551 PolarHBondContact O-OG 2.82Å |
| 549 | E | 55.1 | Low | 67.1 | Low | 158 Ų | 158 | 55.9 Ų | 55.9 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.5 | -169.4 | -60.8 | 178.8 | 160.5 | 0 | 0 | 114 | H547 S551 | H547-E549 IonicContact CE1-OE2 2.77Å; H547-E549 PolarHBondContact CE1-OE2 3.41Å; H547-E549 PolarHBondContact ND1-N 3.13Å; E549-S551 VanDerWaalsContact C-N 3.33Å; E549-S551 PolarHBondContact O-N 2.9Å |
| 550 | K | 50.5 | Low | 66.6 | Low | 100 Ų | 100 | 54.5 Ų | 54.5 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.3 | -177.3 | -69 | -167.2 | 177.7 | -179.1 | 0 | 114.2 | L548 F556 | L548-K550 VanDerWaalsContact C-N 3.35Å; L548-K550 PolarHBondContact O-N 3.05Å; K550-F556 WeakPolarHBondContact O-CD2 3.17Å; K550-F556 VanDerWaalsContact O-CE2 3.31Å; K550-F556 WeakPolarHBondContact O-CE2 3.35Å |
| 551 | S | 46 | Very low | 66.2 | Low | 8 Ų | 8 | 55.2 Ų | 55.2 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | trans | -102.8 | 25.6 | -169.2 | 64.1 | 0 | 0 | 0 | 0 | 115.5 | L548 E549 K582 | L548-S551 PolarHBondContact O-OG 2.82Å; E549-S551 VanDerWaalsContact C-N 3.33Å; E549-S551 PolarHBondContact O-N 2.9Å; S551-K582 WeakPolarHBondContact OG-CD 3.35Å | ||
| 552 | F | 42.3 | Very low | 66.1 | Low | 143 Ų | 143 | 54.3 Ų | 54.3 | 63% | 0.627 | 28% | 0.279 | S | S | * | . | trans | -118.3 | 131.6 | -177.2 | -121.1 | -97.9 | 0 | 0 | 0 | 112.7 | K582 | F552-K582 HydrophobicContact CD2-CD 3.38Å; F552-K582 HydrophobicContact CE2-CD 3.41Å; F552-K582 VanDerWaalsContact CE2-CD 3.41Å; F552-K582 VanDerWaalsContact CE2-CE 3.46Å | ||
| 553 | P | 47.1 | Very low | 65.8 | Low | 108 Ų | 108 | 54.4 Ų | 54.4 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | S | Bend | cis | -106.3 | 3.5 | -8.7 | 33.9 | -19.7 | 0 | 0 | 0 | 114.6 | ||
| 554 | N | 54.9 | Low | 65.8 | Low | 125 Ų | 125 | 53.4 Ų | 53.4 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -121.1 | 157.8 | -176 | -71.5 | -24.1 | 0 | 0 | 0 | 112.1 | F556 | N554-F556 WeakPolarHBondContact O-CD2 3.47Å; N554-F556 PolarHBondContact O-N 2.97Å; N554-F556 VanDerWaalsContact O-N 3.13Å |
| 555 | I | 54.5 | Low | 65.3 | Low | 103 Ų | 103 | 55.4 Ų | 55.4 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | trans | -50.6 | 117 | 174.3 | -58.1 | 172 | 0 | 0 | 0 | 109.3 | N579 T581 | I555-N579 HydrophobicContact CG2-CB 4.36Å; I555-T581 HydrophobicContact CD1-CG2 4.31Å; I555-T581 HydrophobicContact CG1-CG2 3.74Å | ||
| 556 | F | 61.3 | Low | 64.9 | Low | 83 Ų | 83 | 54.5 Ų | 54.5 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.7 | 170.8 | -79.9 | -87.8 | 0 | 0 | 0 | 109.2 | L479 K550 N554 N579 V580 | L479-F556 HydrophobicContact CD1-CB 3.88Å; L479-F556 WeakPolarHBondContact CD1-O 3.29Å; L479-F556 HydrophobicContact CD2-CB 3.94Å; K550-F556 WeakPolarHBondContact O-CD2 3.17Å; K550-F556 VanDerWaalsContact O-CE2 3.31Å; K550-F556 WeakPolarHBondContact O-CE2 3.35Å; N554-F556 WeakPolarHBondContact O-CD2 3.47Å; N554-F556 PolarHBondContact O-N 2.97Å; N554-F556 VanDerWaalsContact O-N 3.13Å; F556-N579 WeakPolarHBondContact O-CA 3.04Å; F556-V580 PolarHBondContact N-O 3.22Å; F556-V580 PolarHBondContact O-N 3.13Å |
| 557 | S | 67.4 | Low | 64.3 | Low | 78 Ų | 78 | 57.3 Ų | 57.3 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.9 | 176.2 | 53.8 | 0 | 0 | 0 | 0 | 110 | N579 | S557-N579 WeakPolarHBondContact CA-OD1 3.34Å; S557-N579 WeakPolarHBondContact CB-OD1 3.49Å |
| 558 | T | 72.9 | Confident | 63.8 | Low | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 173.4 | 170.5 | -165.3 | 0 | 0 | 0 | 0 | 108.2 | F474 F477 L479 F578 | F474-T558 HydrophobicContact CD1-CG2 3.68Å; F474-T558 HydrophobicContact CE1-CG2 4.02Å; F477-T558 PolarHBondContact N-OG1 2.84Å; F477-T558 WeakPolarHBondContact O-CG2 3.29Å; F477-T558 PolarHBondContact O-OG1 2.79Å; L479-T558 HydrophobicContact CB-CG2 4.1Å; L479-T558 HydrophobicContact CD1-CG2 3.57Å; L479-T558 HydrophobicContact CG-CG2 3.76Å; T558-F578 HydrophobicContact CG2-CB 3.97Å; T558-F578 HydrophobicContact CG2-CD1 3.89Å; T558-F578 HydrophobicContact CG2-CG 4.37Å; T558-F578 PolarHBondContact N-O 3.48Å; T558-F578 PolarHBondContact O-N 2.98Å |
| 559 | N | 76 | Confident | 63.8 | Low | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.8 | 174.3 | -74.6 | -19.7 | 0 | 0 | 0 | 109.7 | N475 T575 V576 | N475-N559 HydrophobicContact CB-CB 4.05Å; N475-N559 VanDerWaalsContact CB-O 3.22Å; N475-N559 WeakPolarHBondContact CB-O 3Å; N475-N559 PolarHBondContact N-O 2.8Å; N559-T575 HydrophobicContact CB-CG2 3.45Å; N559-T575 VanDerWaalsContact CB-CG2 3.45Å; N559-V576 CarbonylContact C-O 3.52Å; N559-V576 WeakPolarHBondContact CA-O 3.4Å |
| 560 | L | 79 | Confident | 64.1 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.5 | 165.2 | -72 | 158.7 | 0 | 0 | 0 | 108.4 | K473 F474 I544 T575 V576 F578 | K473-L560 CarbonylContact O-C 3.58Å; K473-L560 WeakPolarHBondContact O-CA 3.35Å; F474-L560 HydrophobicContact CD1-CD2 3.66Å; F474-L560 HydrophobicContact CD1-CG 4.27Å; F474-L560 HydrophobicContact CD2-CD2 4.09Å; F474-L560 HydrophobicContact CE1-CD2 3.51Å; F474-L560 HydrophobicContact CE1-CG 4.1Å; F474-L560 HydrophobicContact CE2-CD2 3.96Å; F474-L560 HydrophobicContact CG-CD2 3.97Å; F474-L560 HydrophobicContact CZ-CD2 3.68Å; I544-L560 HydrophobicContact CD1-CD1 3.24Å; I544-L560 HydrophobicContact CD1-CD2 3.99Å; I544-L560 HydrophobicContact CD1-CG 4.25Å; L560-T575 CarbonylContact O-C 3.59Å; L560-T575 WeakPolarHBondContact O-CA 3.3Å; L560-V576 HydrophobicContact CB-CB 4.26Å; L560-V576 PolarHBondContact N-O 2.81Å; L560-V576 PolarHBondContact O-N 2.86Å; L560-F578 HydrophobicContact CD1-CB 3.92Å; L560-F578 HydrophobicContact CD1-CD2 3.71Å; L560-F578 HydrophobicContact CD1-CG 4.06Å; L560-F578 HydrophobicContact CG-CB 4.14Å; L560-F578 HydrophobicContact CG-CG 4.5Å |
| 561 | I | 79.4 | Confident | 65 | Low | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.4 | 170.8 | -65.9 | 169.3 | 0 | 0 | 0 | 107.6 | L472 K473 N475 D563 T573 | L472-I561 CarbonylContact C-O 3.55Å; L472-I561 WeakPolarHBondContact CA-O 3.35Å; K473-I561 HydrophobicContact CG-CB 3.84Å; K473-I561 HydrophobicContact CG-CG2 4.28Å; K473-I561 PolarHBondContact N-O 3.5Å; K473-I561 PolarHBondContact O-N 2.92Å; N475-I561 HydrophobicContact CB-CD1 3.69Å; N475-I561 HydrophobicContact CB-CG1 3.94Å; N475-I561 VanDerWaalsContact CG-CD1 3.48Å; N475-I561 WeakPolarHBondContact OD1-CD1 3.36Å; I561-D563 VanDerWaalsContact CG2-OD1 3.24Å; I561-D563 WeakPolarHBondContact CG2-OD1 3.38Å; I561-T573 HydrophobicContact CG2-CG2 3.74Å |
| 562 | T | 81.2 | Confident | 66.1 | Low | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 108 | L454 K471 L472 T573 S574 V576 | L454-T562 HydrophobicContact CD2-CG2 4.49Å; K471-T562 CarbonylContact O-C 3.5Å; L472-T562 HydrophobicContact CD2-CG2 4Å; L472-T562 HydrophobicContact CG-CG2 4.04Å; T562-T573 WeakPolarHBondContact O-CA 3.49Å; T562-S574 PolarHBondContact N-O 3.32Å; T562-S574 PolarHBondContact O-N 3.1Å; T562-S574 WeakPolarHBondContact OG1-CB 3.29Å; T562-S574 PolarHBondContact OG1-O 2.92Å; T562-V576 HydrophobicContact CG2-CG2 4.25Å |
| 563 | D | 79.2 | Confident | 67.6 | Low | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.1 | -177.2 | -64.5 | -33.1 | 0 | 0 | 0 | 109.1 | K471 I561 V565 R571 T573 | K471-D563 HydrophobicContact CB-CB 4.08Å; K471-D563 HydrophobicContact CG-CB 4.39Å; K471-D563 PolarHBondContact N-O 2.94Å; K471-D563 PolarHBondContact O-N 3.5Å; I561-D563 VanDerWaalsContact CG2-OD1 3.24Å; I561-D563 WeakPolarHBondContact CG2-OD1 3.38Å; D563-V565 HydrophobicContact CB-CG2 4.21Å; D563-R571 HydrophobicContact CB-CG 4.15Å; D563-R571 IonicContact OD1-CZ 3.48Å; D563-R571 IonicContact OD1-NE 3.47Å; D563-R571 PolarHBondContact OD1-NE 2.71Å; D563-R571 IonicContact OD1-NH2 3.62Å; D563-R571 PolarHBondContact OD1-NH2 3.31Å; D563-R571 IonicContact OD2-CZ 3.85Å; D563-R571 IonicContact OD2-NE 2.64Å; D563-R571 PolarHBondContact OD2-NE 2.82Å; D563-R571 IonicContact OD2-NH1 2.76Å; D563-R571 IonicContact OD2-NH2 3.84Å; D563-R571 PolarHBondContact OD2-NH2 3.39Å; D563-T573 WeakPolarHBondContact OD1-CG2 3.41Å; D563-T573 PolarHBondContact OD1-OG1 2.78Å |
| 564 | F | 79.4 | Confident | 68.8 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.7 | 171.8 | -170.9 | -104.3 | 0 | 0 | 0 | 109.3 | S436 I438 I458 F460 Y468 L470 L523 L566 R571 V572 | S436-F564 WeakPolarHBondContact OG-CE1 3.41Å; I438-F564 HydrophobicContact CD1-CB 3.13Å; I438-F564 HydrophobicContact CD1-CD1 4.02Å; I438-F564 HydrophobicContact CD1-CD2 3.93Å; I438-F564 HydrophobicContact CD1-CG 3.45Å; I438-F564 VanDerWaalsContact CD1-CG 3.45Å; I438-F564 HydrophobicContact CG1-CB 4.48Å; I438-F564 HydrophobicContact CG1-CG 4.44Å; I458-F564 HydrophobicContact CD1-CD2 4.32Å; I458-F564 HydrophobicContact CD1-CE2 3.99Å; I458-F564 HydrophobicContact CG1-CE2 4.49Å; I458-F564 HydrophobicContact CG2-CD2 4.48Å; I458-F564 HydrophobicContact CG2-CE2 3.67Å; I458-F564 HydrophobicContact CG2-CZ 3.67Å; F460-F564 HydrophobicContact CE1-CZ 4.12Å; Y468-F564 HydrophobicContact CD1-CD1 4.4Å; Y468-F564 AromaticContact CD1-CE1 3.26Å; Y468-F564 HydrophobicContact CD1-CE1 3.26Å; Y468-F564 HydrophobicContact CD1-CE2 4.26Å; Y468-F564 AromaticContact CD1-CZ 3.18Å; Y468-F564 HydrophobicContact CD1-CZ 3.18Å; Y468-F564 AromaticContact CE1-CE1 3.74Å; Y468-F564 HydrophobicContact CE1-CE1 3.74Å; Y468-F564 AromaticContact CE1-CZ 3.93Å; Y468-F564 HydrophobicContact CE1-CZ 3.93Å; Y468-F564 HydrophobicContact CG-CE1 4.21Å; Y468-F564 HydrophobicContact CG-CE2 4.48Å; Y468-F564 AromaticContact CG-CZ 3.67Å; Y468-F564 HydrophobicContact CG-CZ 3.67Å; L470-F564 HydrophobicContact CB-CD2 4.47Å; L470-F564 HydrophobicContact CD1-CB 4.47Å; L470-F564 HydrophobicContact CD1-CD2 4.29Å; L523-F564 HydrophobicContact CD1-CE2 4.25Å; L523-F564 HydrophobicContact CD2-CE2 4.41Å; F564-L566 HydrophobicContact CD1-CD1 4.29Å; F564-R571 WeakPolarHBondContact O-CA 3.37Å; F564-V572 PolarHBondContact N-O 3.24Å; F564-V572 PolarHBondContact O-N 2.93Å |
| 565 | V | 71.1 | Confident | 69.7 | Low | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.1 | -169.2 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | S469 D563 R571 | S469-V565 PolarHBondContact N-O 2.86Å; S469-V565 PolarHBondContact O-N 2.95Å; D563-V565 HydrophobicContact CB-CG2 4.21Å; V565-R571 HydrophobicContact CG2-CG 4.38Å |
| 566 | L | 67.7 | Low | 70.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 153.7 | 172.9 | -63.5 | 91.4 | 0 | 0 | 0 | 109.6 | Y468 F564 S568 G569 Q570 | Y468-L566 HydrophobicContact CD1-CD2 4.27Å; Y468-L566 HydrophobicContact CD1-CG 3.97Å; Y468-L566 HydrophobicContact CE1-CD2 3.64Å; Y468-L566 HydrophobicContact CE1-CG 3.87Å; F564-L566 HydrophobicContact CD1-CD1 4.29Å; L566-S568 WeakPolarHBondContact CB-OG 3.32Å; L566-S568 PolarHBondContact O-N 3.28Å; L566-G569 PolarHBondContact O-N 2.91Å; L566-Q570 HydrophobicContact CD1-CB 4.06Å; L566-Q570 WeakPolarHBondContact CD1-O 3.49Å; L566-Q570 PolarHBondContact N-O 3.01Å |
| 567 | S | 61.1 | Low | 71.2 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.5 | 172.3 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | T467 G569 | T467-S567 PolarHBondContact O-N 2.8Å; T467-S567 VanDerWaalsContact O-N 3.07Å; S567-G569 VanDerWaalsContact C-N 3.25Å |
| 568 | S | 55.9 | Low | 71.6 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.1 | 169.7 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | L566 Q570 | L566-S568 WeakPolarHBondContact CB-OG 3.32Å; L566-S568 PolarHBondContact O-N 3.28Å; S568-Q570 VanDerWaalsContact C-N 3.33Å; S568-Q570 PolarHBondContact OG-N 2.91Å |
| 569 | G | 58.3 | Low | 71.5 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 88 | -8.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | L566 S567 | L566-G569 PolarHBondContact O-N 2.91Å; S567-G569 VanDerWaalsContact C-N 3.25Å |
| 570 | Q | 61.8 | Low | 71.1 | Confident | 100 Ų | 100 | 36.9 Ų | 36.9 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | trans | -63.1 | 138.9 | 171.2 | -84.1 | -170.4 | -10.1 | 0 | 0 | 110.6 | V433 L566 S568 | V433-Q570 VanDerWaalsContact CG1-CD 3.49Å; V433-Q570 HydrophobicContact CG1-CG 4.37Å; L566-Q570 HydrophobicContact CD1-CB 4.06Å; L566-Q570 WeakPolarHBondContact CD1-O 3.49Å; L566-Q570 PolarHBondContact N-O 3.01Å; S568-Q570 VanDerWaalsContact C-N 3.33Å; S568-Q570 PolarHBondContact OG-N 2.91Å | ||
| 571 | R | 69.4 | Low | 70.4 | Confident | 122 Ų | 122 | 38.4 Ų | 38.4 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.4 | -177.8 | 175.7 | 177.8 | 160.9 | -170.1 | -1.8 | 109.4 | D563 F564 V565 T573 | D563-R571 HydrophobicContact CB-CG 4.15Å; D563-R571 IonicContact OD1-CZ 3.48Å; D563-R571 IonicContact OD1-NE 3.47Å; D563-R571 PolarHBondContact OD1-NE 2.71Å; D563-R571 IonicContact OD1-NH2 3.62Å; D563-R571 PolarHBondContact OD1-NH2 3.31Å; D563-R571 IonicContact OD2-CZ 3.85Å; D563-R571 IonicContact OD2-NE 2.64Å; D563-R571 PolarHBondContact OD2-NE 2.82Å; D563-R571 IonicContact OD2-NH1 2.76Å; D563-R571 IonicContact OD2-NH2 3.84Å; D563-R571 PolarHBondContact OD2-NH2 3.39Å; F564-R571 WeakPolarHBondContact O-CA 3.37Å; V565-R571 HydrophobicContact CG2-CG 4.38Å; R571-T573 PolarHBondContact NE-OG1 2.84Å; R571-T573 VanDerWaalsContact NE-OG1 3.09Å |
| 572 | V | 69.1 | Low | 69.4 | Low | 52 Ų | 52 | 42 Ų | 42 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.5 | 167.2 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | A435 F564 | A435-V572 HydrophobicContact CB-CG2 4.35Å; F564-V572 PolarHBondContact N-O 3.24Å; F564-V572 PolarHBondContact O-N 2.93Å |
| 573 | T | 73.6 | Confident | 68 | Low | 75 Ų | 75 | 47.4 Ų | 47.4 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.5 | -178 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | I561 T562 D563 R571 | I561-T573 HydrophobicContact CG2-CG2 3.74Å; T562-T573 WeakPolarHBondContact O-CA 3.49Å; D563-T573 WeakPolarHBondContact OD1-CG2 3.41Å; D563-T573 PolarHBondContact OD1-OG1 2.78Å; R571-T573 PolarHBondContact NE-OG1 2.84Å; R571-T573 VanDerWaalsContact NE-OG1 3.09Å |
| 574 | S | 71.6 | Confident | 66.7 | Low | 27 Ų | 27 | 55.9 Ų | 55.9 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.8 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | Y440 T562 | Y440-S574 WeakPolarHBondContact CE1-OG 3.4Å; T562-S574 PolarHBondContact N-O 3.32Å; T562-S574 PolarHBondContact O-N 3.1Å; T562-S574 WeakPolarHBondContact OG1-CB 3.29Å; T562-S574 PolarHBondContact OG1-O 2.92Å |
| 575 | T | 73.4 | Confident | 65.5 | Low | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.1 | -176 | -53 | 0 | 0 | 0 | 0 | 109.8 | Y440 N559 L560 | Y440-T575 PolarHBondContact OH-O 2.99Å; N559-T575 HydrophobicContact CB-CG2 3.45Å; N559-T575 VanDerWaalsContact CB-CG2 3.45Å; L560-T575 CarbonylContact O-C 3.59Å; L560-T575 WeakPolarHBondContact O-CA 3.3Å |
| 576 | V | 74.1 | Confident | 64.7 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.4 | -179.7 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | Y440 P443 L454 N559 L560 T562 | Y440-V576 HydrophobicContact CD1-CG2 4.43Å; Y440-V576 HydrophobicContact CD2-CB 4.46Å; Y440-V576 HydrophobicContact CD2-CG1 4.13Å; Y440-V576 HydrophobicContact CD2-CG2 3.68Å; Y440-V576 HydrophobicContact CE2-CB 4.37Å; Y440-V576 HydrophobicContact CE2-CG1 4.2Å; Y440-V576 HydrophobicContact CE2-CG2 3.82Å; Y440-V576 HydrophobicContact CG-CG2 4.01Å; P443-V576 HydrophobicContact CG-CG1 3.62Å; L454-V576 HydrophobicContact CD1-CG1 4.07Å; L454-V576 HydrophobicContact CD1-CG2 4.44Å; N559-V576 CarbonylContact C-O 3.52Å; N559-V576 WeakPolarHBondContact CA-O 3.4Å; L560-V576 HydrophobicContact CB-CB 4.26Å; L560-V576 PolarHBondContact N-O 2.81Å; L560-V576 PolarHBondContact O-N 2.86Å; T562-V576 HydrophobicContact CG2-CG2 4.25Å |
| 577 | P | 73.3 | Confident | 64.4 | Low | 48 Ų | 48 | 73 Ų | 73 | 31% | 0.312 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138.7 | 175.7 | 27.4 | -32.5 | 0 | 0 | 0 | 110.7 | P443 | P443-P577 WeakPolarHBondContact CG-O 3.1Å |
| 578 | F | 76 | Confident | 64.8 | Low | 1 Ų | 1 | 70.8 Ų | 70.8 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 109.9 | -179.5 | -176.2 | -94.1 | 0 | 0 | 0 | 109.7 | V446 C452 F474 L479 I544 P546 T558 L560 V580 | V446-F578 HydrophobicContact CG2-CE2 4.41Å; C452-F578 HydrophobicContact CB-CD2 4.3Å; C452-F578 HydrophobicContact CB-CE2 3.5Å; C452-F578 HydrophobicContact CB-CZ 4.38Å; F474-F578 AromaticContact CE1-CD1 3.98Å; F474-F578 HydrophobicContact CE1-CD1 3.98Å; F474-F578 HydrophobicContact CE1-CE1 4.16Å; F474-F578 HydrophobicContact CE1-CG 4.37Å; L479-F578 HydrophobicContact CB-CD1 3.88Å; L479-F578 HydrophobicContact CB-CE1 3.69Å; L479-F578 HydrophobicContact CD1-CD1 4.33Å; I544-F578 HydrophobicContact CB-CE2 4.14Å; I544-F578 HydrophobicContact CG2-CE2 3.77Å; I544-F578 HydrophobicContact CG2-CZ 3.84Å; P546-F578 HydrophobicContact CB-CZ 4.43Å; T558-F578 HydrophobicContact CG2-CB 3.97Å; T558-F578 HydrophobicContact CG2-CD1 3.89Å; T558-F578 HydrophobicContact CG2-CG 4.37Å; T558-F578 PolarHBondContact N-O 3.48Å; T558-F578 PolarHBondContact O-N 2.98Å; L560-F578 HydrophobicContact CD1-CB 3.92Å; L560-F578 HydrophobicContact CD1-CD2 3.71Å; L560-F578 HydrophobicContact CD1-CG 4.06Å; L560-F578 HydrophobicContact CG-CB 4.14Å; L560-F578 HydrophobicContact CG-CG 4.5Å; F578-V580 HydrophobicContact CD1-CG2 3.93Å; F578-V580 HydrophobicContact CE1-CG2 3.31Å; F578-V580 HydrophobicContact CZ-CG2 3.99Å |
| 579 | N | 70.5 | Confident | 65.6 | Low | 49 Ų | 49 | 71.7 Ų | 71.7 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.1 | -174.5 | -62.5 | -17.4 | 0 | 0 | 0 | 110 | L445 V446 I555 F556 S557 | L445-N579 HydrophobicContact CD1-CB 3.79Å; L445-N579 HydrophobicContact CG-CB 4.19Å; V446-N579 PolarHBondContact N-O 2.75Å; I555-N579 HydrophobicContact CG2-CB 4.36Å; F556-N579 WeakPolarHBondContact O-CA 3.04Å; S557-N579 WeakPolarHBondContact CA-OD1 3.34Å; S557-N579 WeakPolarHBondContact CB-OD1 3.49Å |
| 580 | V | 68.4 | Low | 66.2 | Low | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.7 | -178.4 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | V446 T448 L479 P546 F556 F578 | V446-V580 VanDerWaalsContact O-CA 3.31Å; V446-V580 WeakPolarHBondContact O-CA 3.4Å; T448-V580 HydrophobicContact CG2-CG1 3.35Å; L479-V580 HydrophobicContact CB-CG2 4.07Å; L479-V580 HydrophobicContact CD1-CG2 4.36Å; P546-V580 HydrophobicContact CB-CG1 4Å; P546-V580 HydrophobicContact CB-CG2 4.04Å; F556-V580 PolarHBondContact N-O 3.22Å; F556-V580 PolarHBondContact O-N 3.13Å; F578-V580 HydrophobicContact CD1-CG2 3.93Å; F578-V580 HydrophobicContact CE1-CG2 3.31Å; F578-V580 HydrophobicContact CZ-CG2 3.99Å |
| 581 | T | 64.7 | Low | 67 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.4 | 172.7 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | L445 V446 E447 T448 I555 | L445-T581 HydrophobicContact CD2-CG2 3.4Å; L445-T581 HydrophobicContact CG-CG2 4.39Å; V446-T581 PolarHBondContact O-N 3.19Å; E447-T581 CarbonylContact C-O 3.45Å; E447-T581 WeakPolarHBondContact CA-O 3.47Å; T448-T581 PolarHBondContact N-O 2.97Å; T448-T581 PolarHBondContact OG1-O 3.15Å; I555-T581 HydrophobicContact CD1-CG2 4.31Å; I555-T581 HydrophobicContact CG1-CG2 3.74Å |
| 582 | K | 57.8 | Low | 67.6 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | trans | -84.9 | 136.2 | 177.6 | -167.9 | 170.2 | -175.7 | 156.2 | 0 | 112.2 | S551 F552 | S551-K582 WeakPolarHBondContact OG-CD 3.35Å; F552-K582 HydrophobicContact CD2-CD 3.38Å; F552-K582 HydrophobicContact CE2-CD 3.41Å; F552-K582 VanDerWaalsContact CE2-CD 3.41Å; F552-K582 VanDerWaalsContact CE2-CE 3.46Å | ||
| 583 | H | 51.9 | Low | 68.4 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | trans | -122 | 161.1 | 162.1 | -143 | -65.1 | 0 | 0 | 0 | 109.9 | ||||
| 584 | K | 51.6 | Low | 69.1 | Low | 179 Ų | 179 | 70.9 Ų | 70.9 | 78% | 0.778 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 128.4 | 174.8 | -93.7 | -175.7 | 176.8 | 179.7 | 0 | 110.5 | E449 Q586 | E449-K584 VanDerWaalsContact OE1-O 3.11Å; K584-Q586 PolarHBondContact O-N 3.49Å |
| 585 | P | 53.8 | Low | 69.9 | Low | 87 Ų | 87 | 74.9 Ų | 74.9 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 130.6 | 176.3 | 21.5 | -30.5 | 0 | 0 | 0 | 111.5 | E449 | E449-P585 WeakPolarHBondContact OE1-CA 3.46Š|
| 586 | Q | 55.8 | Low | 70.6 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 76% | 0.757 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 142.5 | 170.7 | -71.8 | -174 | -3.5 | 0 | 0 | 110.9 | K584 I588 | K584-Q586 PolarHBondContact O-N 3.49Å; Q586-I588 PolarHBondContact O-N 3.06Å |
| 587 | I | 60.8 | Low | 71.1 | Confident | 157 Ų | 157 | 76.6 Ų | 76.6 | 81% | 0.805 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 129.1 | 172.9 | -61.9 | 169.6 | 0 | 0 | 0 | 108 | P589 | I587-P589 WeakPolarHBondContact O-CD 3.31Š|
| 588 | I | 68.7 | Low | 71.6 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 122 | 179.4 | -64.2 | 167.2 | 0 | 0 | 0 | 109.3 | Q586 K592 I626 Y628 F717 N718 | Q586-I588 PolarHBondContact O-N 3.06Å; I588-K592 HydrophobicContact CG2-CB 4.25Å; I588-I626 HydrophobicContact CD1-CG2 4.03Å; I588-I626 HydrophobicContact CG1-CG2 3.85Å; I588-I626 HydrophobicContact CG2-CD1 4.28Å; I588-I626 HydrophobicContact CG2-CG2 4.39Å; I588-Y628 HydrophobicContact CD1-CD1 3.96Å; I588-Y628 HydrophobicContact CD1-CE1 4.16Å; I588-F717 HydrophobicContact CD1-CD2 3.87Å; I588-F717 HydrophobicContact CD1-CE2 4.02Å; I588-N718 HydrophobicContact CD1-CB 4.12Å; I588-N718 VanDerWaalsContact CD1-ND2 3.29Å; I588-N718 WeakPolarHBondContact CD1-ND2 3.27Å |
| 589 | P | 72.5 | Confident | 71.6 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.9 | 172.6 | -23.4 | 35.3 | 0 | 0 | 0 | 112.1 | I587 D591 K592 | I587-P589 WeakPolarHBondContact O-CD 3.31Å; P589-D591 VanDerWaalsContact C-N 3.25Å; P589-D591 WeakPolarHBondContact CB-OD1 3.41Å; P589-D591 PolarHBondContact O-N 3.06Å; P589-K592 HydrophobicContact CB-CG 4.23Å; P589-K592 HydrophobicContact CG-CG 4.42Å; P589-K592 WeakPolarHBondContact O-CB 3.42Å; P589-K592 PolarHBondContact O-N 2.58Å |
| 590 | S | 71.6 | Confident | 71.7 | Confident | 93 Ų | 93 | 76.4 Ų | 76.4 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -61.2 | -30.6 | -176.2 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | K592 | S590-K592 PolarHBondContact O-N 2.81Š|
| 591 | D | 77.9 | Confident | 71.4 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -72.4 | -10.5 | 176.6 | 61 | -58.6 | 0 | 0 | 0 | 113.4 | P589 | P589-D591 VanDerWaalsContact C-N 3.25Å; P589-D591 WeakPolarHBondContact CB-OD1 3.41Å; P589-D591 PolarHBondContact O-N 3.06Å |
| 592 | K | 83 | Confident | 71 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 27% | 0.274 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -108.9 | 16 | -178.3 | -65 | -77.1 | -166.6 | 163.1 | 0 | 113.6 | I588 P589 S590 S623 E624 I626 Y628 | I588-K592 HydrophobicContact CG2-CB 4.25Å; P589-K592 HydrophobicContact CB-CG 4.23Å; P589-K592 HydrophobicContact CG-CG 4.42Å; P589-K592 WeakPolarHBondContact O-CB 3.42Å; P589-K592 PolarHBondContact O-N 2.58Å; S590-K592 PolarHBondContact O-N 2.81Å; K592-S623 WeakPolarHBondContact CA-OG 3.44Å; K592-S623 PolarHBondContact O-OG 3.14Å; K592-E624 PolarHBondContact NZ-O 2.94Å; K592-E624 VanDerWaalsContact NZ-O 3.08Å; K592-I626 HydrophobicContact CB-CD1 3.12Å; K592-I626 HydrophobicContact CD-CD1 3.74Å; K592-I626 HydrophobicContact CG-CD1 3.41Å; K592-I626 VanDerWaalsContact CG-CD1 3.41Å; K592-Y628 PolarHBondContact O-OH 2.75Å |
| 593 | R | 84.6 | Confident | 70.7 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71 | 142.1 | 174.4 | -78 | -178.5 | 173.3 | 168 | 4.5 | 110.7 | F717 E720 I722 | R593-F717 HydrophobicContact CG-CZ 4.42Å; R593-E720 IonicContact CZ-OE1 2.69Å; R593-E720 IonicContact CZ-OE2 3.66Å; R593-E720 IonicContact NE-OE1 3.78Å; R593-E720 IonicContact NE-OE2 3.88Å; R593-E720 PolarHBondContact NE-OE2 2.77Å; R593-E720 VanDerWaalsContact NH2-CD 3.34Å; R593-E720 IonicContact NH2-OE1 2.8Å; R593-E720 PolarHBondContact NH2-OE1 2.85Å; R593-E720 IonicContact NH2-OE2 3.18Å; R593-E720 PolarHBondContact NH2-OE2 3.44Å; R593-I722 HydrophobicContact CB-CD1 3.84Å; R593-I722 HydrophobicContact CG-CD1 4.39Å |
| 594 | P | 88.8 | Confident | 70.4 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 146.1 | 178.4 | 25.7 | -30.9 | 0 | 0 | 0 | 111 | I620 T621 W622 Y628 F717 I722 | P594-I620 HydrophobicContact CB-CG2 4.3Å; P594-T621 VanDerWaalsContact CA-O 3.3Å; P594-T621 WeakPolarHBondContact CA-O 3.15Å; P594-W622 HydrophobicContact CB-CD2 4.14Å; P594-W622 HydrophobicContact CB-CE3 3.62Å; P594-W622 HydrophobicContact CB-CZ3 3.85Å; P594-W622 HydrophobicContact CG-CE3 3.99Å; P594-W622 HydrophobicContact CG-CH2 4.43Å; P594-W622 HydrophobicContact CG-CZ3 3.73Å; P594-Y628 HydrophobicContact CG-CE1 4.31Å; P594-F717 HydrophobicContact CG-CD1 4.1Å; P594-F717 HydrophobicContact CG-CE1 3.61Å; P594-F717 HydrophobicContact CG-CZ 4.01Å; P594-I722 HydrophobicContact CG-CD1 3.81Å; P594-I722 WeakPolarHBondContact O-CD1 3.4Å |
| 595 | I | 88.1 | Confident | 70.2 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.1 | 179.8 | -59.4 | 172.6 | 0 | 0 | 0 | 108.1 | I620 T621 | I595-I620 CarbonylContact O-C 3.57Å; I595-I620 WeakPolarHBondContact O-CA 3.37Å; I595-T621 PolarHBondContact N-O 3.02Å; I595-T621 PolarHBondContact O-N 2.89Å |
| 596 | A | 88.3 | Confident | 69.4 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V619 L713 I715 K724 | A596-V619 WeakPolarHBondContact CA-O 3.48Å; A596-L713 HydrophobicContact CB-CD2 4.1Å; A596-I715 HydrophobicContact CB-CD1 3.43Å; A596-I715 VanDerWaalsContact CB-CD1 3.43Å; A596-K724 HydrophobicContact CB-CB 4.45Å |
| 597 | I | 86 | Confident | 68.9 | Low | 86 Ų | 86 | 68 Ų | 68 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133 | 179.4 | -56.2 | 175.1 | 0 | 0 | 0 | 108.7 | T599 A618 V619 | I597-T599 HydrophobicContact CG2-CG2 4.31Å; I597-A618 WeakPolarHBondContact O-CA 3.32Å; I597-V619 PolarHBondContact N-O 3.28Å; I597-V619 PolarHBondContact O-N 2.72Å |
| 598 | L | 82.7 | Confident | 67.9 | Low | 14 Ų | 14 | 64.7 Ų | 64.7 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.5 | 172.6 | -73.7 | 178.8 | 0 | 0 | 0 | 109.3 | L616 A618 L711 L713 K724 M726 | L598-L616 HydrophobicContact CB-CD1 4.24Å; L598-L616 HydrophobicContact CD2-CD1 4.09Å; L598-L616 HydrophobicContact CD2-CD2 3.96Å; L598-L616 HydrophobicContact CD2-CG 4.16Å; L598-A618 HydrophobicContact CD2-CB 3.81Å; L598-L711 HydrophobicContact CD1-CB 4.41Å; L598-L713 HydrophobicContact CD1-CB 3.88Å; L598-L713 HydrophobicContact CD2-CB 4.08Å; L598-L713 HydrophobicContact CD2-CD2 3.79Å; L598-L713 HydrophobicContact CD2-CG 4.41Å; L598-L713 HydrophobicContact CG-CB 4.17Å; L598-L713 HydrophobicContact CG-CD2 4.18Å; L598-K724 HydrophobicContact CD1-CG 4.47Å; L598-K724 HydrophobicContact CG-CG 4.39Å; L598-M726 HydrophobicContact CB-CB 4.39Å; L598-M726 HydrophobicContact CB-SD 4.02Å; L598-M726 HydrophobicContact CD1-CB 4.02Å |
| 599 | T | 77.1 | Confident | 66.8 | Low | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.301 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.1 | 176.8 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | I597 L616 F617 | I597-T599 HydrophobicContact CG2-CG2 4.31Å; T599-L616 WeakPolarHBondContact O-CA 3.4Å; T599-F617 PolarHBondContact N-O 2.82Å; T599-F617 PolarHBondContact O-N 3.47Å; T599-F617 PolarHBondContact OG1-O 2.97Å; T599-F617 VanDerWaalsContact OG1-O 3.13Å |
| 600 | V | 72.1 | Confident | 65.7 | Low | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.1 | -179.8 | 175 | 0 | 0 | 0 | 0 | 109.1 | N602 L616 L711 M726 F728 | V600-N602 WeakPolarHBondContact CG1-OD1 3.44Å; V600-L616 HydrophobicContact CG2-CD1 3.46Å; V600-L616 VanDerWaalsContact CG2-CD1 3.46Å; V600-L711 HydrophobicContact CG2-CD1 4.06Å; V600-M726 HydrophobicContact CB-CE 3.84Å; V600-M726 HydrophobicContact CG2-CE 3.48Å; V600-M726 VanDerWaalsContact CG2-CE 3.48Å; V600-M726 HydrophobicContact CG2-SD 3.63Å; V600-F728 HydrophobicContact CG1-CD1 4.46Å; V600-F728 HydrophobicContact CG1-CD2 3.98Å; V600-F728 HydrophobicContact CG1-CE2 4.27Å; V600-F728 HydrophobicContact CG1-CG 4.07Å; V600-F728 HydrophobicContact CG2-CB 4.44Å; V600-F728 HydrophobicContact CG2-CD1 4Å; V600-F728 HydrophobicContact CG2-CG 4.18Å |
| 601 | H | 61.6 | Low | 65 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.3 | 172.6 | -68.9 | -89.8 | 0 | 0 | 0 | 110.4 | T614 T615 F617 | H601-T614 PolarHBondContact O-OG1 2.94Å; H601-T615 PolarHBondContact N-O 3.41Å; H601-F617 AromaticContact CD2-CD2 3.54Å; H601-F617 AromaticContact CD2-CE2 3.7Å; H601-F617 AromaticContact NE2-CD2 3.71Å; H601-F617 AromaticContact NE2-CE2 4Å |
| 602 | N | 56.8 | Low | 64.3 | Low | 43 Ų | 43 | 65.8 Ų | 65.8 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 151.4 | 179.4 | -76.1 | -19 | 0 | 0 | 0 | 112.8 | V600 T614 V729 E731 | V600-N602 WeakPolarHBondContact CG1-OD1 3.44Å; N602-T614 PolarHBondContact OD1-OG1 2.84Å; N602-V729 PolarHBondContact ND2-O 3.37Å; N602-E731 HydrophobicContact CB-CB 4.41Å |
| 603 | P | 51 | Low | 63.7 | Low | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.032 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 140.1 | 168.6 | -20.6 | 34.3 | 0 | 0 | 0 | 113.6 | Y612 Y733 | P603-Y612 HydrophobicContact CG-CD2 4.11Å; P603-Y612 HydrophobicContact CG-CE2 4.07Å; P603-Y733 HydrophobicContact CB-CD2 4.21Å; P603-Y733 HydrophobicContact CB-CG 4.11Å |
| 604 | T | 46.6 | Very low | 63.1 | Low | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 129.4 | 173.8 | 27.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 605 | I | 45.9 | Very low | 62.3 | Low | 118 Ų | 118 | 58.6 Ų | 58.6 | 61% | 0.605 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 81.3 | 118.6 | 146.8 | -53.1 | 168.4 | 0 | 0 | 0 | 120.2 | S732 | I605-S732 CarbonylContact C-O 3.41Š|
| 606 | N | 37.3 | Very low | 61.8 | Low | 116 Ų | 116 | 53.3 Ų | 53.3 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 60.5 | 119.4 | 150.4 | -60 | -11.4 | 0 | 0 | 0 | 123.8 | S732 | N606-S732 WeakPolarHBondContact CA-OG 3.45Å; N606-S732 PolarHBondContact N-OG 2.88Å |
| 607 | V | 45.1 | Very low | 61.5 | Low | 103 Ų | 103 | 53.3 Ų | 53.3 | 62% | 0.624 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 85.9 | 125.3 | 168.3 | -166.7 | 0 | 0 | 0 | 0 | 115.6 | S732 | V607-S732 PolarHBondContact N-OG 2.75Å; V607-S732 WeakPolarHBondContact O-CB 3.21Å |
| 608 | P | 40.5 | Very low | 61.5 | Low | 88 Ų | 88 | 49.2 Ų | 49.2 | 57% | 0.571 | 27% | 0.269 | S | S | * | . | trans | -70.5 | 131.4 | -167.4 | 26.7 | -36.5 | 0 | 0 | 0 | 114.5 | I706 | P608-I706 HydrophobicContact CB-CD1 3.14Å; P608-I706 HydrophobicContact CG-CD1 4.44Å | ||
| 609 | T | 45.7 | Very low | 61.7 | Low | 71 Ų | 71 | 50.3 Ų | 50.3 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | trans | -134.2 | 143.2 | 159.4 | 53 | 0 | 0 | 0 | 0 | 110.6 | Y733 | T609-Y733 PolarHBondContact OG1-O 3.24Š| ||
| 610 | E | 48.9 | Very low | 62.3 | Low | 122 Ų | 122 | 48 Ų | 48 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -76.9 | 152.5 | 174.7 | -64.1 | -179.2 | 157.9 | 0 | 0 | 110.7 | ||
| 611 | N | 57.1 | Low | 63.2 | Low | 99 Ų | 99 | 47.6 Ų | 47.6 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | trans | 81.4 | 51.3 | 174.1 | -45.2 | -63.7 | 0 | 0 | 0 | 116.9 | I703 N704 | N611-I703 WeakPolarHBondContact CA-O 3.43Å; N611-I703 PolarHBondContact N-O 2.76Å; N611-I703 VanDerWaalsContact N-O 3.1Å; N611-N704 PolarHBondContact OD1-OD1 2.83Å | ||
| 612 | Y | 63.7 | Low | 64.4 | Low | 25 Ų | 25 | 45.1 Ų | 45.1 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 166.2 | 166.3 | 76.9 | -95.1 | 0 | 0 | 0 | 112 | P603 I703 P730 E731 | P603-Y612 HydrophobicContact CG-CD2 4.11Å; P603-Y612 HydrophobicContact CG-CE2 4.07Å; Y612-I703 HydrophobicContact CD1-CB 4.19Å; Y612-I703 HydrophobicContact CD1-CG2 4.29Å; Y612-I703 HydrophobicContact CD2-CB 4.34Å; Y612-I703 HydrophobicContact CD2-CG1 4.3Å; Y612-I703 HydrophobicContact CE1-CB 3.96Å; Y612-I703 HydrophobicContact CE1-CG1 4.49Å; Y612-I703 HydrophobicContact CE1-CG2 3.69Å; Y612-I703 HydrophobicContact CE2-CB 4.07Å; Y612-I703 HydrophobicContact CE2-CG1 3.78Å; Y612-I703 HydrophobicContact CE2-CG2 4.47Å; Y612-I703 HydrophobicContact CG-CB 4.4Å; Y612-I703 PolarHBondContact N-O 2.85Å; Y612-I703 WeakPolarHBondContact O-CB 3.4Å; Y612-I703 PolarHBondContact O-N 3.39Å; Y612-P730 VanDerWaalsContact OH-C 3.24Å; Y612-P730 VanDerWaalsContact OH-CA 3.3Å; Y612-P730 WeakPolarHBondContact OH-CA 3.18Å; Y612-P730 WeakPolarHBondContact OH-CB 3.23Å; Y612-E731 PolarHBondContact OH-N 3.27Å; Y612-E731 VanDerWaalsContact OH-N 3.16Å; Y612-E731 PolarHBondContact OH-O 3.16Å |
| 613 | Y | 69.9 | Low | 65.8 | Low | 22 Ų | 22 | 44.1 Ų | 44.1 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.7 | -179.9 | -59.7 | -71.5 | 0 | 0 | 0 | 111.5 | I645 V700 I701 E702 N830 | Y613-I645 HydrophobicContact CD1-CD1 3.51Å; Y613-I645 HydrophobicContact CD1-CG1 4.44Å; Y613-I645 HydrophobicContact CE1-CD1 3.39Å; Y613-I645 HydrophobicContact CE1-CG1 4.49Å; Y613-V700 HydrophobicContact CD1-CG1 4.24Å; Y613-V700 HydrophobicContact CG-CG1 4.46Å; Y613-I701 CarbonylContact C-O 3.58Å; Y613-I701 VanDerWaalsContact CA-O 3.31Å; Y613-I701 WeakPolarHBondContact CA-O 3.22Å; Y613-E702 HydrophobicContact CD1-CB 3.8Å; Y613-E702 HydrophobicContact CD1-CG 4.02Å; Y613-E702 HydrophobicContact CE1-CB 3.55Å; Y613-E702 HydrophobicContact CE1-CG 3.44Å; Y613-E702 VanDerWaalsContact CE1-CG 3.44Å; Y613-E702 WeakPolarHBondContact CE1-OE1 3.12Å; Y613-E702 PolarHBondContact OH-OE1 3.04Å; Y613-N830 HydrophobicContact CD2-CB 3.74Å; Y613-N830 HydrophobicContact CE2-CB 3.7Å; Y613-N830 VanDerWaalsContact CE2-ND2 3.32Å; Y613-N830 WeakPolarHBondContact CE2-ND2 3.44Å |
| 614 | T | 71.4 | Confident | 67.2 | Low | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 152 | 167.7 | -172 | 0 | 0 | 0 | 0 | 110.7 | H601 N602 V700 I701 I703 F728 | H601-T614 PolarHBondContact O-OG1 2.94Å; N602-T614 PolarHBondContact OD1-OG1 2.84Å; T614-V700 WeakPolarHBondContact O-CA 3.02Å; T614-I701 HydrophobicContact CG2-CB 3.74Å; T614-I701 HydrophobicContact CG2-CD1 4.18Å; T614-I701 HydrophobicContact CG2-CG1 4.31Å; T614-I701 PolarHBondContact N-O 3.29Å; T614-I701 PolarHBondContact O-N 2.89Å; T614-I703 HydrophobicContact CG2-CD1 3.64Å; T614-I703 HydrophobicContact CG2-CG1 3.8Å; T614-F728 HydrophobicContact CG2-CE2 4.19Å; T614-F728 HydrophobicContact CG2-CZ 3.89Å |
| 615 | T | 71.9 | Confident | 68.4 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.9 | 179.5 | -58 | 0 | 0 | 0 | 0 | 110.7 | H601 F617 K698 Y699 Q832 F833 | H601-T615 PolarHBondContact N-O 3.41Å; T615-F617 HydrophobicContact CG2-CD2 4.34Å; T615-F617 HydrophobicContact CG2-CE1 4.46Å; T615-F617 HydrophobicContact CG2-CE2 3.64Å; T615-F617 HydrophobicContact CG2-CZ 3.68Å; T615-K698 HydrophobicContact CG2-CD 4.18Å; T615-K698 HydrophobicContact CG2-CG 3.65Å; T615-Y699 WeakPolarHBondContact CA-O 3.48Å; T615-Q832 PolarHBondContact OG1-OE1 2.66Å; T615-F833 HydrophobicContact CG2-CE1 4.35Å; T615-F833 HydrophobicContact CG2-CZ 4.1Å |
| 616 | L | 77.9 | Confident | 69.7 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.9 | 176.5 | 175.3 | 80.9 | 0 | 0 | 0 | 109.3 | L598 T599 V600 L635 K698 Y699 L711 | L598-L616 HydrophobicContact CB-CD1 4.24Å; L598-L616 HydrophobicContact CD2-CD1 4.09Å; L598-L616 HydrophobicContact CD2-CD2 3.96Å; L598-L616 HydrophobicContact CD2-CG 4.16Å; T599-L616 WeakPolarHBondContact O-CA 3.4Å; V600-L616 HydrophobicContact CG2-CD1 3.46Å; V600-L616 VanDerWaalsContact CG2-CD1 3.46Å; L616-L635 HydrophobicContact CD2-CD1 3.67Å; L616-L635 HydrophobicContact CD2-CD2 3.55Å; L616-L635 HydrophobicContact CD2-CG 4.27Å; L616-K698 CarbonylContact O-C 3.59Å; L616-K698 WeakPolarHBondContact O-CA 2.89Å; L616-Y699 HydrophobicContact CD2-CD2 4.1Å; L616-Y699 HydrophobicContact CD2-CG 4.47Å; L616-Y699 PolarHBondContact N-O 2.75Å; L616-Y699 PolarHBondContact O-N 3.23Å; L616-L711 HydrophobicContact CD1-CD1 3.66Å; L616-L711 HydrophobicContact CD2-CD1 3.92Å; L616-L711 HydrophobicContact CG-CD1 4.37Å |
| 617 | F | 81.9 | Confident | 71.4 | Confident | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.6 | 167.8 | -63.6 | -83.2 | 0 | 0 | 0 | 110.4 | T599 H601 T615 T696 I697 K698 K845 | T599-F617 PolarHBondContact N-O 2.82Å; T599-F617 PolarHBondContact O-N 3.47Å; T599-F617 PolarHBondContact OG1-O 2.97Å; T599-F617 VanDerWaalsContact OG1-O 3.13Å; H601-F617 AromaticContact CD2-CD2 3.54Å; H601-F617 AromaticContact CD2-CE2 3.7Å; H601-F617 AromaticContact NE2-CD2 3.71Å; H601-F617 AromaticContact NE2-CE2 4Å; T615-F617 HydrophobicContact CG2-CD2 4.34Å; T615-F617 HydrophobicContact CG2-CE1 4.46Å; T615-F617 HydrophobicContact CG2-CE2 3.64Å; T615-F617 HydrophobicContact CG2-CZ 3.68Å; F617-T696 HydrophobicContact CB-CG2 4.23Å; F617-T696 HydrophobicContact CD1-CG2 3.92Å; F617-T696 HydrophobicContact CG-CG2 4.47Å; F617-I697 CarbonylContact C-O 3.56Å; F617-I697 WeakPolarHBondContact CA-O 3.17Å; F617-K698 HydrophobicContact CD1-CB 4.01Å; F617-K698 HydrophobicContact CD1-CG 4.36Å; F617-K698 HydrophobicContact CE1-CB 3.68Å; F617-K698 HydrophobicContact CE1-CD 4.32Å; F617-K698 HydrophobicContact CE1-CG 3.73Å; F617-K698 HydrophobicContact CZ-CD 4.47Å; F617-K698 HydrophobicContact CZ-CG 4.07Å; F617-K845 VanDerWaalsContact CE2-NZ 3.28Å |
| 618 | A | 86.8 | Confident | 73 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I597 L598 T696 I697 Y699 L713 | I597-A618 WeakPolarHBondContact O-CA 3.32Å; L598-A618 HydrophobicContact CD2-CB 3.81Å; A618-T696 CarbonylContact O-C 3.58Å; A618-T696 WeakPolarHBondContact O-CA 3.31Å; A618-I697 HydrophobicContact CB-CB 4.45Å; A618-I697 PolarHBondContact N-O 2.82Å; A618-I697 PolarHBondContact O-N 2.87Å; A618-Y699 HydrophobicContact CB-CD2 4.5Å; A618-Y699 HydrophobicContact CB-CE2 3.89Å; A618-L713 HydrophobicContact CB-CD1 4.41Å; A618-L713 HydrophobicContact CB-CD2 3.91Å |
| 619 | V | 87.2 | Confident | 74.5 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.7 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | A596 I597 T696 | A596-V619 WeakPolarHBondContact CA-O 3.48Å; I597-V619 PolarHBondContact N-O 3.28Å; I597-V619 PolarHBondContact O-N 2.72Å; V619-T696 HydrophobicContact CG2-CG2 4.12Å |
| 620 | I | 90.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.9 | -177.5 | -56.7 | 169.2 | 0 | 0 | 0 | 108.2 | P594 I595 W622 I633 S694 M695 I697 I715 | P594-I620 HydrophobicContact CB-CG2 4.3Å; I595-I620 CarbonylContact O-C 3.57Å; I595-I620 WeakPolarHBondContact O-CA 3.37Å; I620-W622 HydrophobicContact CG2-CD2 4.26Å; I620-W622 HydrophobicContact CG2-CH2 4.42Å; I620-W622 HydrophobicContact CG2-CZ2 3.68Å; I620-I633 HydrophobicContact CD1-CD1 3.93Å; I620-I633 HydrophobicContact CD1-CG1 4.24Å; I620-I633 HydrophobicContact CD1-CG2 4.02Å; I620-S694 CarbonylContact O-C 3.6Å; I620-S694 WeakPolarHBondContact O-CA 3.27Å; I620-M695 HydrophobicContact CB-CE 3.99Å; I620-M695 HydrophobicContact CB-CG 4.12Å; I620-M695 HydrophobicContact CD1-CE 3.53Å; I620-M695 HydrophobicContact CG1-CE 4.31Å; I620-M695 HydrophobicContact CG2-CE 4.2Å; I620-M695 PolarHBondContact N-O 2.68Å; I620-M695 PolarHBondContact O-N 2.83Å; I620-I697 HydrophobicContact CD1-CD1 4.19Å; I620-I715 HydrophobicContact CB-CD1 4.45Å; I620-I715 HydrophobicContact CD1-CD1 3.64Å; I620-I715 HydrophobicContact CD1-CG1 4.08Å; I620-I715 HydrophobicContact CG1-CD1 3.74Å; I620-I715 HydrophobicContact CG2-CD1 3.86Å |
| 621 | T | 89.5 | Confident | 77.5 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 14% | 0.135 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.6 | 179.6 | -49.6 | 0 | 0 | 0 | 0 | 109.8 | P594 I595 D690 R693 S694 | P594-T621 VanDerWaalsContact CA-O 3.3Å; P594-T621 WeakPolarHBondContact CA-O 3.15Å; I595-T621 PolarHBondContact N-O 3.02Å; I595-T621 PolarHBondContact O-N 2.89Å; T621-D690 HydrophobicContact CG2-CB 4.36Å; T621-R693 HydrophobicContact CG2-CB 4.43Å; T621-S694 WeakPolarHBondContact CB-OG 3.28Å; T621-S694 WeakPolarHBondContact CG2-OG 3.09Å; T621-S694 PolarHBondContact OG1-OG 3.2Å |
| 622 | W | 88.1 | Confident | 79 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 151 | -174.9 | -59.8 | 93.4 | 0 | 0 | 0 | 111.8 | P594 I620 Y628 V631 L656 V680 I682 R693 M695 I715 | P594-W622 HydrophobicContact CB-CD2 4.14Å; P594-W622 HydrophobicContact CB-CE3 3.62Å; P594-W622 HydrophobicContact CB-CZ3 3.85Å; P594-W622 HydrophobicContact CG-CE3 3.99Å; P594-W622 HydrophobicContact CG-CH2 4.43Å; P594-W622 HydrophobicContact CG-CZ3 3.73Å; I620-W622 HydrophobicContact CG2-CD2 4.26Å; I620-W622 HydrophobicContact CG2-CH2 4.42Å; I620-W622 HydrophobicContact CG2-CZ2 3.68Å; W622-Y628 HydrophobicContact CB-CE2 4.38Å; W622-Y628 HydrophobicContact CD2-CD2 4.37Å; W622-Y628 HydrophobicContact CD2-CE2 4.43Å; W622-Y628 HydrophobicContact CE3-CD1 4.11Å; W622-Y628 AromaticContact CE3-CD2 3.33Å; W622-Y628 HydrophobicContact CE3-CD2 3.33Å; W622-Y628 HydrophobicContact CE3-CE1 4.24Å; W622-Y628 AromaticContact CE3-CE2 3.48Å; W622-Y628 HydrophobicContact CE3-CE2 3.48Å; W622-Y628 VanDerWaalsContact CE3-CE2 3.48Å; W622-Y628 AromaticContact CE3-CG 3.66Å; W622-Y628 HydrophobicContact CE3-CG 3.66Å; W622-Y628 AromaticContact CE3-CZ 3.91Å; W622-Y628 AromaticContact CZ3-CD1 3.83Å; W622-Y628 HydrophobicContact CZ3-CD1 3.83Å; W622-Y628 AromaticContact CZ3-CD2 3.64Å; W622-Y628 HydrophobicContact CZ3-CD2 3.64Å; W622-Y628 HydrophobicContact CZ3-CE1 4.32Å; W622-Y628 HydrophobicContact CZ3-CE2 4.16Å; W622-Y628 AromaticContact CZ3-CG 3.44Å; W622-Y628 HydrophobicContact CZ3-CG 3.44Å; W622-Y628 VanDerWaalsContact CZ3-CG 3.44Å; W622-V631 HydrophobicContact CH2-CG1 3.68Å; W622-V631 HydrophobicContact CH2-CG2 4.11Å; W622-V631 HydrophobicContact CZ2-CG1 4.17Å; W622-L656 HydrophobicContact CB-CD2 4.26Å; W622-L656 HydrophobicContact CG-CD2 4.13Å; W622-V680 HydrophobicContact CB-CG1 4.34Å; W622-V680 HydrophobicContact CD2-CB 4.1Å; W622-V680 HydrophobicContact CD2-CG1 3.56Å; W622-V680 HydrophobicContact CD2-CG2 4.45Å; W622-V680 HydrophobicContact CE3-CB 4.16Å; W622-V680 HydrophobicContact CE3-CG1 4Å; W622-V680 HydrophobicContact CG-CG1 3.71Å; W622-V680 HydrophobicContact CH2-CB 4.25Å; W622-V680 HydrophobicContact CH2-CG2 4.02Å; W622-V680 HydrophobicContact CZ2-CB 4.19Å; W622-V680 HydrophobicContact CZ2-CG1 4.33Å; W622-V680 HydrophobicContact CZ2-CG2 3.71Å; W622-V680 HydrophobicContact CZ3-CB 4.23Å; W622-V680 HydrophobicContact CZ3-CG2 4.5Å; W622-I682 HydrophobicContact CB-CD1 3.56Å; W622-I682 HydrophobicContact CB-CG1 4.48Å; W622-R693 PolarHBondContact N-O 2.8Å; W622-R693 VanDerWaalsContact N-O 3.08Å; W622-M695 HydrophobicContact CZ2-CE 3.46Å; W622-M695 VanDerWaalsContact CZ2-CE 3.46Å; W622-M695 HydrophobicContact CZ2-SD 4.29Å; W622-M695 PolarHBondContact NE1-SD 3.43Å; W622-I715 HydrophobicContact CH2-CG2 4.13Å |
| 623 | S | 85 | Confident | 80.3 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -89.2 | 151.2 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | K592 Y628 | K592-S623 WeakPolarHBondContact CA-OG 3.44Å; K592-S623 PolarHBondContact O-OG 3.14Å; S623-Y628 VanDerWaalsContact CB-OH 3.31Å; S623-Y628 WeakPolarHBondContact CB-OH 3.27Å; S623-Y628 PolarHBondContact N-OH 2.95Å |
| 624 | E | 79.9 | Confident | 81.4 | Confident | 34 Ų | 34 | 23.5 Ų | 23.5 | 16% | 0.159 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 153.5 | 176.8 | -63.7 | 169 | -145.3 | 0 | 0 | 113 | K592 I682 R693 | K592-E624 PolarHBondContact NZ-O 2.94Å; K592-E624 VanDerWaalsContact NZ-O 3.08Å; E624-I682 HydrophobicContact CB-CG2 4.38Å; E624-I682 HydrophobicContact CG-CB 4.46Å; E624-I682 HydrophobicContact CG-CG2 3.75Å; E624-R693 VanDerWaalsContact OE1-CD 3.31Å; E624-R693 WeakPolarHBondContact OE1-CD 3.48Å; E624-R693 IonicContact OE1-CZ 2.75Å; E624-R693 IonicContact OE1-NE 2.93Å; E624-R693 IonicContact OE1-NH1 2.88Å; E624-R693 PolarHBondContact OE1-NH1 3.41Å |
| 625 | M | 72.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 23.4 Ų | 23.4 | 55% | 0.547 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 18.2 | -179.8 | -61.8 | -64.7 | -116.5 | 0 | 0 | 116.1 | I682 S684 | M625-I682 WeakPolarHBondContact CA-O 3.27Å; M625-I682 PolarHBondContact N-O 3.43Å; M625-S684 WeakPolarHBondContact CE-OG 3.33Å; M625-S684 WeakPolarHBondContact CG-OG 3.46Å; M625-S684 WeakPolarHBondContact SD-CB 3.46Å; M625-S684 PolarHBondContact SD-N 3.47Å; M625-S684 PolarHBondContact SD-OG 2.93Å |
| 626 | I | 72.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 27.6 Ų | 27.6 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | trans | -132.6 | 133.2 | -176.5 | -73.4 | 159.8 | 0 | 0 | 0 | 112.4 | I588 K592 Y628 Y681 | I588-I626 HydrophobicContact CD1-CG2 4.03Å; I588-I626 HydrophobicContact CG1-CG2 3.85Å; I588-I626 HydrophobicContact CG2-CD1 4.28Å; I588-I626 HydrophobicContact CG2-CG2 4.39Å; K592-I626 HydrophobicContact CB-CD1 3.12Å; K592-I626 HydrophobicContact CD-CD1 3.74Å; K592-I626 HydrophobicContact CG-CD1 3.41Å; K592-I626 VanDerWaalsContact CG-CD1 3.41Å; I626-Y628 HydrophobicContact CB-CE2 4.18Å; I626-Y628 HydrophobicContact CG2-CD1 4.13Å; I626-Y628 HydrophobicContact CG2-CD2 4.2Å; I626-Y628 HydrophobicContact CG2-CE1 3.76Å; I626-Y628 HydrophobicContact CG2-CE2 3.84Å; I626-Y628 HydrophobicContact CG2-CG 4.36Å; I626-Y681 WeakPolarHBondContact O-CD2 3.27Å | ||
| 627 | I | 74.2 | Confident | 83.7 | Confident | 44 Ų | 44 | 27.9 Ų | 27.9 | 23% | 0.226 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.6 | 172.3 | -60.5 | 172.1 | 0 | 0 | 0 | 108.9 | E449 Y681 N718 | E449-I627 VanDerWaalsContact C-CD1 3.47Å; E449-I627 VanDerWaalsContact CA-CD1 3.45Å; E449-I627 HydrophobicContact CB-CD1 4.09Å; E449-I627 WeakPolarHBondContact O-CD1 3.37Å; I627-Y681 HydrophobicContact CB-CD2 4.21Å; I627-Y681 HydrophobicContact CD1-CD2 4.24Å; I627-Y681 HydrophobicContact CD1-CE2 4.45Å; I627-Y681 HydrophobicContact CD1-CG 4.46Å; I627-Y681 HydrophobicContact CG1-CD1 4.41Å; I627-Y681 HydrophobicContact CG1-CD2 3.2Å; I627-Y681 HydrophobicContact CG1-CE2 3.72Å; I627-Y681 HydrophobicContact CG1-CG 3.6Å; I627-N718 PolarHBondContact O-ND2 2.88Å |
| 628 | Y | 78.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.4 | 168.9 | -52.6 | -86.9 | 0 | 0 | 0 | 107.8 | I588 K592 P594 W622 S623 I626 V631 S679 V680 F717 N718 | I588-Y628 HydrophobicContact CD1-CD1 3.96Å; I588-Y628 HydrophobicContact CD1-CE1 4.16Å; K592-Y628 PolarHBondContact O-OH 2.75Å; P594-Y628 HydrophobicContact CG-CE1 4.31Å; W622-Y628 HydrophobicContact CB-CE2 4.38Å; W622-Y628 HydrophobicContact CD2-CD2 4.37Å; W622-Y628 HydrophobicContact CD2-CE2 4.43Å; W622-Y628 HydrophobicContact CE3-CD1 4.11Å; W622-Y628 AromaticContact CE3-CD2 3.33Å; W622-Y628 HydrophobicContact CE3-CD2 3.33Å; W622-Y628 HydrophobicContact CE3-CE1 4.24Å; W622-Y628 AromaticContact CE3-CE2 3.48Å; W622-Y628 HydrophobicContact CE3-CE2 3.48Å; W622-Y628 VanDerWaalsContact CE3-CE2 3.48Å; W622-Y628 AromaticContact CE3-CG 3.66Å; W622-Y628 HydrophobicContact CE3-CG 3.66Å; W622-Y628 AromaticContact CE3-CZ 3.91Å; W622-Y628 AromaticContact CZ3-CD1 3.83Å; W622-Y628 HydrophobicContact CZ3-CD1 3.83Å; W622-Y628 AromaticContact CZ3-CD2 3.64Å; W622-Y628 HydrophobicContact CZ3-CD2 3.64Å; W622-Y628 HydrophobicContact CZ3-CE1 4.32Å; W622-Y628 HydrophobicContact CZ3-CE2 4.16Å; W622-Y628 AromaticContact CZ3-CG 3.44Å; W622-Y628 HydrophobicContact CZ3-CG 3.44Å; W622-Y628 VanDerWaalsContact CZ3-CG 3.44Å; S623-Y628 VanDerWaalsContact CB-OH 3.31Å; S623-Y628 WeakPolarHBondContact CB-OH 3.27Å; S623-Y628 PolarHBondContact N-OH 2.95Å; I626-Y628 HydrophobicContact CB-CE2 4.18Å; I626-Y628 HydrophobicContact CG2-CD1 4.13Å; I626-Y628 HydrophobicContact CG2-CD2 4.2Å; I626-Y628 HydrophobicContact CG2-CE1 3.76Å; I626-Y628 HydrophobicContact CG2-CE2 3.84Å; I626-Y628 HydrophobicContact CG2-CG 4.36Å; Y628-V631 WeakPolarHBondContact O-CG2 3.34Å; Y628-S679 CarbonylContact O-C 3.55Å; Y628-S679 WeakPolarHBondContact O-CA 3.36Å; Y628-S679 WeakPolarHBondContact O-CB 3.24Å; Y628-V680 HydrophobicContact CD2-CB 4.32Å; Y628-V680 WeakPolarHBondContact CD2-O 3.36Å; Y628-V680 PolarHBondContact N-O 3.12Å; Y628-V680 PolarHBondContact O-N 2.54Å; Y628-F717 HydrophobicContact CD1-CB 4.42Å; Y628-F717 AromaticContact CD1-CD2 3.65Å; Y628-F717 HydrophobicContact CD1-CD2 3.65Å; Y628-F717 HydrophobicContact CD1-CE2 4.12Å; Y628-F717 HydrophobicContact CD1-CG 4.01Å; Y628-F717 HydrophobicContact CE1-CD2 4.32Å; Y628-F717 HydrophobicContact CE1-CE2 4.34Å; Y628-N718 WeakPolarHBondContact CA-OD1 3.41Å |
| 629 | S | 71 | Confident | 83.4 | Confident | 38 Ų | 38 | 30.5 Ų | 30.5 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | trans | -158.1 | 138.1 | -178.4 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | P678 N718 | S629-P678 WeakPolarHBondContact CB-O 3.09Å; S629-P678 PolarHBondContact OG-O 3.32Å; S629-N718 PolarHBondContact N-OD1 3.06Å; S629-N718 PolarHBondContact O-N 2.6Å; S629-N718 PolarHBondContact O-OD1 3.1Å | ||
| 630 | P | 73.7 | Confident | 82.7 | Confident | 87 Ų | 87 | 37.2 Ų | 37.2 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | S | Bend | cis | -65 | 162.3 | -19.7 | 31.1 | -35.3 | 0 | 0 | 0 | 110.6 | F717 | P630-F717 VanDerWaalsContact O-CA 3.25Å; P630-F717 WeakPolarHBondContact O-CA 3.22Å |
| 631 | V | 84.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.2 | 176.8 | 174 | 0 | 0 | 0 | 0 | 109.7 | W622 Y628 I633 L677 V680 L716 F717 | W622-V631 HydrophobicContact CH2-CG1 3.68Å; W622-V631 HydrophobicContact CH2-CG2 4.11Å; W622-V631 HydrophobicContact CZ2-CG1 4.17Å; Y628-V631 WeakPolarHBondContact O-CG2 3.34Å; V631-I633 HydrophobicContact CG1-CG1 4.23Å; V631-L677 HydrophobicContact CB-CB 4.18Å; V631-L677 PolarHBondContact N-O 2.81Å; V631-L677 PolarHBondContact O-N 3.49Å; V631-V680 HydrophobicContact CG1-CG2 4.46Å; V631-V680 HydrophobicContact CG2-CB 4.48Å; V631-V680 HydrophobicContact CG2-CG2 4.14Å; V631-L716 CarbonylContact C-O 3.58Å; V631-L716 WeakPolarHBondContact CA-O 3.35Å; V631-F717 HydrophobicContact CG2-CB 4.18Å |
| 632 | S | 88.6 | Confident | 81.9 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128 | 173.3 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | E676 I715 L716 | S632-E676 PolarHBondContact OG-OE1 3.29Å; S632-I715 WeakPolarHBondContact O-CA 3.36Å; S632-L716 PolarHBondContact N-O 2.85Å; S632-L716 PolarHBondContact O-N 2.9Å |
| 633 | I | 91.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.6 | 179.6 | -51 | 163.6 | 0 | 0 | 0 | 107 | I620 V631 I675 L677 M695 I697 L713 H714 | I620-I633 HydrophobicContact CD1-CD1 3.93Å; I620-I633 HydrophobicContact CD1-CG1 4.24Å; I620-I633 HydrophobicContact CD1-CG2 4.02Å; V631-I633 HydrophobicContact CG1-CG1 4.23Å; I633-I675 HydrophobicContact CB-CB 4.3Å; I633-I675 HydrophobicContact CD1-CG2 4.48Å; I633-I675 PolarHBondContact N-O 3.05Å; I633-I675 PolarHBondContact O-N 2.88Å; I633-L677 HydrophobicContact CD1-CD1 4.4Å; I633-M695 HydrophobicContact CD1-CE 3.26Å; I633-M695 HydrophobicContact CG1-CE 4.36Å; I633-I697 HydrophobicContact CD1-CD1 3.52Å; I633-I697 HydrophobicContact CG2-CD1 4.16Å; I633-L713 HydrophobicContact CG2-CD1 3.73Å; I633-H714 CarbonylContact C-O 3.6Å; I633-H714 WeakPolarHBondContact CA-O 3.31Å |
| 634 | I | 91.4 | Very high | 81.7 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117 | -172.7 | -48.5 | -173.8 | 0 | 0 | 0 | 108.1 | V672 G673 L674 L713 H714 L716 | I634-V672 HydrophobicContact CG2-CG1 3.46Å; I634-V672 VanDerWaalsContact CG2-CG1 3.46Å; I634-G673 CarbonylContact C-O 3.57Å; I634-G673 WeakPolarHBondContact CA-O 3.19Å; I634-L674 HydrophobicContact CD1-CD1 4.11Å; I634-L674 HydrophobicContact CG1-CD1 3.7Å; I634-L713 CarbonylContact O-C 3.55Å; I634-L713 WeakPolarHBondContact O-CA 3.16Å; I634-H714 HydrophobicContact CB-CB 4.22Å; I634-H714 PolarHBondContact N-O 3.17Å; I634-H714 PolarHBondContact O-N 2.96Å; I634-L716 HydrophobicContact CD1-CD1 3.45Å; I634-L716 VanDerWaalsContact CD1-CD1 3.45Å; I634-L716 HydrophobicContact CG1-CD1 3.83Å |
| 635 | L | 92.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 168.1 | -179.1 | 74.4 | 0 | 0 | 0 | 109 | L616 L644 V672 G673 Y699 L711 D712 L713 | L616-L635 HydrophobicContact CD2-CD1 3.67Å; L616-L635 HydrophobicContact CD2-CD2 3.55Å; L616-L635 HydrophobicContact CD2-CG 4.27Å; L635-L644 HydrophobicContact CD2-CD1 4.25Å; L635-V672 CarbonylContact O-C 3.56Å; L635-V672 WeakPolarHBondContact O-CA 2.95Å; L635-G673 PolarHBondContact N-O 2.63Å; L635-G673 PolarHBondContact O-N 3.34Å; L635-Y699 HydrophobicContact CB-CD1 4.24Å; L635-Y699 HydrophobicContact CB-CE1 3.79Å; L635-Y699 HydrophobicContact CB-CE2 4.41Å; L635-Y699 HydrophobicContact CD2-CD1 3.43Å; L635-Y699 VanDerWaalsContact CD2-CD1 3.43Å; L635-Y699 HydrophobicContact CD2-CD2 3.76Å; L635-Y699 HydrophobicContact CD2-CE1 3.85Å; L635-Y699 HydrophobicContact CD2-CE2 4.15Å; L635-Y699 HydrophobicContact CD2-CG 3.36Å; L635-Y699 HydrophobicContact CG-CD1 4.48Å; L635-Y699 HydrophobicContact CG-CE1 4.48Å; L635-L711 HydrophobicContact CD1-CB 4.44Å; L635-D712 WeakPolarHBondContact CA-O 3.07Å; L635-L713 HydrophobicContact CB-CD1 4.46Å; L635-L713 HydrophobicContact CD1-CB 4.37Å; L635-L713 HydrophobicContact CD1-CD1 4.47Å |
| 636 | Q | 89.7 | Confident | 81.9 | Confident | 89 Ų | 89 | 38.6 Ų | 38.6 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.9 | 175.2 | 179.8 | 171.2 | -9.2 | 0 | 0 | 110.7 | V672 L711 D712 | Q636-V672 HydrophobicContact CB-CG2 4.37Å; Q636-V672 HydrophobicContact CG-CG2 4.1Å; Q636-L711 WeakPolarHBondContact O-CA 3.48Å; Q636-D712 HydrophobicContact CB-CB 4.43Å; Q636-D712 PolarHBondContact N-O 2.9Å; Q636-D712 PolarHBondContact O-N 2.75Å |
| 637 | I | 88.5 | Confident | 82.3 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.8 | 178.2 | -47 | -177.4 | 0 | 0 | 0 | 109.4 | S639 L644 N671 I701 I709 L711 | I637-S639 PolarHBondContact O-N 2.83Å; I637-L644 HydrophobicContact CD1-CB 3.61Å; I637-L644 HydrophobicContact CD1-CD1 4.02Å; I637-L644 HydrophobicContact CD1-CG 4.28Å; I637-N671 HydrophobicContact CB-CB 4.16Å; I637-N671 PolarHBondContact N-O 3.22Å; I637-I701 HydrophobicContact CD1-CB 4.35Å; I637-I701 HydrophobicContact CD1-CD1 3.65Å; I637-I701 HydrophobicContact CD1-CG1 3.59Å; I637-I701 HydrophobicContact CD1-CG2 3.9Å; I637-I709 HydrophobicContact CG2-CG2 3.31Å; I637-L711 HydrophobicContact CB-CD2 4.29Å; I637-L711 HydrophobicContact CD1-CD2 4.35Å; I637-L711 HydrophobicContact CG1-CD2 3.8Å; I637-L711 HydrophobicContact CG2-CD2 4.05Å |
| 638 | S | 83.4 | Confident | 82.4 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | trans | -79.9 | 12.2 | -176.2 | 75.3 | 0 | 0 | 0 | 0 | 115.5 | T710 | S638-T710 PolarHBondContact N-O 3.07Å; S638-T710 WeakPolarHBondContact OG-CB 3.36Å; S638-T710 PolarHBondContact OG-N 2.63Å; S638-T710 PolarHBondContact OG-O 3.15Å | ||
| 639 | S | 78.8 | Confident | 82.4 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | trans | -88.8 | 141.4 | -169.8 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | I637 K641 S642 N671 E705 | I637-S639 PolarHBondContact O-N 2.83Å; S639-K641 PolarHBondContact OG-N 2.9Å; S639-S642 WeakPolarHBondContact OG-CA 3.42Å; S639-S642 WeakPolarHBondContact OG-CB 3.32Å; S639-S642 PolarHBondContact OG-N 3.45Å; S639-S642 PolarHBondContact OG-OG 3.43Å; S639-N671 PolarHBondContact O-ND2 2.84Å; S639-N671 VanDerWaalsContact O-ND2 3.14Å; S639-E705 WeakPolarHBondContact CA-OE1 3.44Å; S639-E705 VanDerWaalsContact CB-OE1 3.3Å; S639-E705 WeakPolarHBondContact CB-OE1 3.32Å; S639-E705 WeakPolarHBondContact OG-CG 3.4Å; S639-E705 PolarHBondContact OG-OE1 3.45Å | ||
| 640 | H | 72.5 | Confident | 82.4 | Confident | 180 Ų | 180 | 39 Ų | 39 | 83% | 0.833 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -85 | -31.4 | 175.9 | -53.6 | -55.8 | 0 | 0 | 0 | 112.7 | ||
| 641 | K | 80 | Confident | 82.5 | Confident | 118 Ų | 118 | 35.8 Ų | 35.8 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -107.5 | -36 | -179.4 | -65 | -175.4 | 172.6 | -176.8 | 0 | 114.2 | S639 N704 E705 | S639-K641 PolarHBondContact OG-N 2.9Å; K641-N704 HydrophobicContact CB-CB 3.8Å; K641-N704 WeakPolarHBondContact CD-O 3.42Å; K641-N704 WeakPolarHBondContact O-CB 3.4Å; K641-N704 PolarHBondContact O-ND2 2.75Å; K641-E705 HydrophobicContact CB-CB 4.13Å; K641-E705 HydrophobicContact CB-CG 4.17Å; K641-E705 WeakPolarHBondContact CB-OE2 3.25Å; K641-E705 HydrophobicContact CD-CB 4.16Å; K641-E705 PolarHBondContact N-OE2 3.47Å |
| 642 | S | 83.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -76.1 | 144.7 | -177.8 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | S639 N671 E702 N704 | S639-S642 WeakPolarHBondContact OG-CA 3.42Å; S639-S642 WeakPolarHBondContact OG-CB 3.32Å; S639-S642 PolarHBondContact OG-N 3.45Å; S639-S642 PolarHBondContact OG-OG 3.43Å; S642-N671 PolarHBondContact O-ND2 2.68Å; S642-N671 PolarHBondContact O-OD1 3.29Å; S642-E702 CarbonylContact C-O 3.56Å; S642-E702 WeakPolarHBondContact CA-O 3.43Å; S642-E702 WeakPolarHBondContact CB-O 3.31Å; S642-N704 PolarHBondContact OG-N 2.95Å; S642-N704 VanDerWaalsContact OG-N 3.15Å | ||
| 643 | V | 84.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 35 Ų | 35 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.9 | -169.2 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | I645 N671 I701 E702 | V643-I645 HydrophobicContact CB-CG2 4.37Å; V643-I645 HydrophobicContact CG1-CG2 4.14Å; V643-I645 PolarHBondContact O-N 3.31Å; V643-N671 VanDerWaalsContact CA-OD1 3.23Å; V643-N671 WeakPolarHBondContact CA-OD1 3.36Å; V643-I701 CarbonylContact O-C 3.56Å; V643-I701 WeakPolarHBondContact O-CA 3.4Å; V643-E702 PolarHBondContact N-O 2.76Å; V643-E702 PolarHBondContact O-N 3.38Å |
| 644 | L | 84.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123 | 165.9 | -174.6 | 63.2 | 0 | 0 | 0 | 108.6 | L635 I637 I668 N671 G673 Y699 V700 I701 | L635-L644 HydrophobicContact CD2-CD1 4.25Å; I637-L644 HydrophobicContact CD1-CB 3.61Å; I637-L644 HydrophobicContact CD1-CD1 4.02Å; I637-L644 HydrophobicContact CD1-CG 4.28Å; L644-I668 HydrophobicContact CB-CG2 3.97Å; L644-I668 HydrophobicContact CD2-CG1 4.19Å; L644-I668 HydrophobicContact CD2-CG2 4Å; L644-I668 HydrophobicContact CG-CD1 4.24Å; L644-I668 HydrophobicContact CG-CG1 4.4Å; L644-I668 HydrophobicContact CG-CG2 3.95Å; L644-I668 VanDerWaalsContact O-CG2 3.22Å; L644-I668 WeakPolarHBondContact O-CG2 3.45Å; L644-N671 PolarHBondContact N-OD1 3.5Å; L644-N671 VanDerWaalsContact N-OD1 3.07Å; L644-G673 VanDerWaalsContact CD2-CA 3.48Å; L644-Y699 HydrophobicContact CD1-CD1 4.11Å; L644-Y699 HydrophobicContact CD2-CD1 4.42Å; L644-V700 WeakPolarHBondContact CD1-O 3.48Å; L644-I701 HydrophobicContact CD1-CG1 4.21Å |
| 645 | I | 78.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -20 | -174.3 | 57.4 | 154.6 | 0 | 0 | 0 | 114.4 | Y613 V643 V700 E702 T811 H813 | Y613-I645 HydrophobicContact CD1-CD1 3.51Å; Y613-I645 HydrophobicContact CD1-CG1 4.44Å; Y613-I645 HydrophobicContact CE1-CD1 3.39Å; Y613-I645 HydrophobicContact CE1-CG1 4.49Å; V643-I645 HydrophobicContact CB-CG2 4.37Å; V643-I645 HydrophobicContact CG1-CG2 4.14Å; V643-I645 PolarHBondContact O-N 3.31Å; I645-V700 HydrophobicContact CD1-CB 4.39Å; I645-V700 HydrophobicContact CD1-CG1 3.74Å; I645-V700 HydrophobicContact CG1-CB 4.02Å; I645-V700 HydrophobicContact CG1-CG1 3.78Å; I645-V700 VanDerWaalsContact CG1-O 3.29Å; I645-V700 WeakPolarHBondContact CG1-O 3.33Å; I645-V700 PolarHBondContact N-O 3.32Å; I645-E702 HydrophobicContact CG2-CB 4.11Å; I645-T811 HydrophobicContact CD1-CG2 4.01Å; I645-H813 HydrophobicContact CB-CB 4.46Å; I645-H813 HydrophobicContact CD1-CB 3.98Å; I645-H813 PolarHBondContact O-ND1 2.7Å |
| 646 | E | 78.1 | Confident | 79.2 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 144.6 | -177 | -160.9 | -172.2 | 149.4 | 0 | 0 | 111.2 | Y699 V700 | E646-Y699 WeakPolarHBondContact O-CA 3.37Å; E646-V700 HydrophobicContact CB-CB 3.79Å; E646-V700 HydrophobicContact CB-CG2 3.93Å; E646-V700 PolarHBondContact N-O 2.86Å; E646-V700 PolarHBondContact O-N 2.89Å |
| 647 | Q | 81.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131 | 166.8 | 67.8 | -177.3 | 6.5 | 0 | 0 | 109.6 | T666 S667 I668 G673 L674 I675 K698 Y699 | Q647-T666 VanDerWaalsContact NE2-CB 3.33Å; Q647-S667 PolarHBondContact NE2-O 2.86Å; Q647-I668 HydrophobicContact CB-CD1 4.34Å; Q647-I668 HydrophobicContact CG-CD1 4.03Å; Q647-I668 HydrophobicContact CG-CG1 4.04Å; Q647-G673 VanDerWaalsContact OE1-C 3.28Å; Q647-L674 PolarHBondContact NE2-O 2.73Å; Q647-I675 HydrophobicContact CG-CG1 4.45Å; Q647-K698 CarbonylContact C-O 3.54Å; Q647-K698 VanDerWaalsContact CA-O 3.27Å; Q647-K698 WeakPolarHBondContact CA-O 3.43Å; Q647-Y699 HydrophobicContact CB-CD1 3.55Å; Q647-Y699 HydrophobicContact CB-CE1 3.64Å |
| 648 | K | 76.4 | Confident | 77.4 | Confident | 69 Ų | 69 | 33.6 Ų | 33.6 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 141.9 | -176.9 | -169.1 | 176.6 | 177.3 | 176 | 0 | 111.8 | E350 C650 K698 | E350-K648 IonicContact OE1-NZ 2.82Å; E350-K648 PolarHBondContact OE1-NZ 3.38Å; K648-C650 PolarHBondContact O-N 3.13Å; K648-K698 PolarHBondContact N-O 2.9Å; K648-K698 PolarHBondContact O-N 3.5Å |
| 649 | F | 78.1 | Confident | 77 | Confident | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.9 | 167.4 | -71.1 | -84 | 0 | 0 | 0 | 110.1 | V351 P661 A664 I675 L677 M695 I697 | V351-F649 HydrophobicContact CG2-CB 4.05Å; F649-P661 HydrophobicContact CD2-CB 3.59Å; F649-P661 HydrophobicContact CD2-CG 4Å; F649-P661 HydrophobicContact CE1-CB 4.4Å; F649-P661 HydrophobicContact CE2-CB 3.42Å; F649-P661 VanDerWaalsContact CE2-CB 3.42Å; F649-P661 HydrophobicContact CE2-CG 4.27Å; F649-P661 HydrophobicContact CG-CB 4.17Å; F649-P661 HydrophobicContact CG-CG 4.14Å; F649-P661 HydrophobicContact CZ-CB 3.86Å; F649-A664 HydrophobicContact CE2-CB 4.09Å; F649-I675 HydrophobicContact CE2-CG2 3.82Å; F649-I675 HydrophobicContact CZ-CG2 3.57Å; F649-L677 HydrophobicContact CE1-CD1 4.42Å; F649-L677 HydrophobicContact CZ-CD1 4.15Å; F649-L677 HydrophobicContact CZ-CD2 3.99Å; F649-L677 HydrophobicContact CZ-CG 4.35Å; F649-M695 HydrophobicContact CE1-SD 4.36Å; F649-I697 HydrophobicContact CD1-CG1 4.02Å; F649-I697 HydrophobicContact CE1-CD1 4.26Å; F649-I697 HydrophobicContact CE1-CG1 4.07Å |
| 650 | C | 72.1 | Confident | 76.8 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -32.6 | 177.6 | -85.5 | 0 | 0 | 0 | 0 | 113.1 | E349 K648 T696 K698 | E349-C650 PolarHBondContact N-O 2.92Å; K648-C650 PolarHBondContact O-N 3.13Å; C650-T696 HydrophobicContact CB-CG2 4.39Å; C650-T696 PolarHBondContact N-O 2.86Å; C650-K698 WeakPolarHBondContact SG-CB 3.29Å |
| 651 | S | 75.3 | Confident | 76.8 | Confident | 21 Ų | 21 | 22.7 Ų | 22.7 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 142.6 | 179 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | T347 M695 T696 | T347-S651 WeakPolarHBondContact O-CB 3.43Å; T347-S651 PolarHBondContact O-OG 3.12Å; S651-M695 WeakPolarHBondContact O-CA 3.46Å; S651-T696 PolarHBondContact N-O 2.77Å; S651-T696 PolarHBondContact O-N 2.8Å |
| 652 | I | 78.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 114.8 | 172.3 | -50.5 | 173.2 | 0 | 0 | 0 | 106.2 | E349 L656 V659 P661 | E349-I652 WeakPolarHBondContact OE2-CB 3.46Å; E349-I652 WeakPolarHBondContact OE2-CD1 3.26Å; E349-I652 WeakPolarHBondContact OE2-CG1 3.39Å; I652-L656 HydrophobicContact CG2-CB 3.77Å; I652-L656 HydrophobicContact CG2-CD1 4.02Å; I652-V659 HydrophobicContact CG2-CB 4.19Å; I652-V659 HydrophobicContact CG2-CG1 4.34Å; I652-P661 HydrophobicContact CD1-CG 3.33Å |
| 653 | G | 75.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -56.1 | 145.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A655 L656 E692 S694 | G653-A655 PolarHBondContact O-N 2.95Å; G653-A655 VanDerWaalsContact O-N 3.16Å; G653-L656 WeakPolarHBondContact O-CB 3.4Å; G653-L656 PolarHBondContact O-N 2.7Å; G653-E692 CarbonylContact C-O 3.58Å; G653-E692 WeakPolarHBondContact CA-O 3.43Å; G653-S694 WeakPolarHBondContact CA-O 3Å; G653-S694 PolarHBondContact N-O 2.98Å | ||
| 654 | K | 72.7 | Confident | 74.8 | Confident | 63 Ų | 63 | 18.4 Ų | 18.4 | 27% | 0.274 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.4 | -175.7 | -71.4 | -175.2 | 173.4 | -164.3 | 0 | 113.8 | L656 E657 E692 | K654-L656 PolarHBondContact O-N 3.48Å; K654-E657 WeakPolarHBondContact O-CG 3.11Å; K654-E692 PolarHBondContact N-O 2.87Å |
| 655 | A | 73.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 6% | 0.058 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G653 E657 I682 Y688 E692 R693 | G653-A655 PolarHBondContact O-N 2.95Å; G653-A655 VanDerWaalsContact O-N 3.16Å; A655-E657 PolarHBondContact O-N 2.93Å; A655-E657 VanDerWaalsContact O-N 3.08Å; A655-I682 HydrophobicContact CB-CG2 3.96Å; A655-Y688 HydrophobicContact CB-CD1 3.91Å; A655-Y688 HydrophobicContact CB-CD2 3.81Å; A655-Y688 HydrophobicContact CB-CE1 4.19Å; A655-Y688 HydrophobicContact CB-CE2 4.09Å; A655-Y688 HydrophobicContact CB-CG 3.7Å; A655-E692 WeakPolarHBondContact CB-O 3.32Å; A655-E692 PolarHBondContact N-O 2.8Å; A655-R693 HydrophobicContact CB-CG 4.1Å |
| 656 | L | 77.9 | Confident | 74 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -84 | 45.2 | 176.7 | -58.1 | 171.5 | 0 | 0 | 0 | 111.5 | W622 I652 G653 K654 T658 V659 V680 I682 S694 M695 | W622-L656 HydrophobicContact CB-CD2 4.26Å; W622-L656 HydrophobicContact CG-CD2 4.13Å; I652-L656 HydrophobicContact CG2-CB 3.77Å; I652-L656 HydrophobicContact CG2-CD1 4.02Å; G653-L656 WeakPolarHBondContact O-CB 3.4Å; G653-L656 PolarHBondContact O-N 2.7Å; K654-L656 PolarHBondContact O-N 3.48Å; L656-T658 PolarHBondContact O-N 3.44Å; L656-V659 HydrophobicContact CB-CB 4.12Å; L656-V659 HydrophobicContact CB-CG2 3.95Å; L656-V659 HydrophobicContact CD2-CG2 4.39Å; L656-V659 WeakPolarHBondContact O-CB 3.36Å; L656-V659 PolarHBondContact O-N 2.86Å; L656-V680 HydrophobicContact CD2-CG1 3.63Å; L656-I682 HydrophobicContact CD2-CD1 3.72Å; L656-I682 HydrophobicContact CD2-CG1 3.63Å; L656-S694 WeakPolarHBondContact CD1-O 3.37Å; L656-M695 HydrophobicContact CD1-CB 3.86Å | ||
| 657 | E | 70.2 | Confident | 74.1 | Confident | 31 Ų | 31 | 27 Ų | 27 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.7 | -176.2 | -60.8 | -175 | 144.6 | 0 | 0 | 113.2 | C483 Y484 K543 K654 A655 V659 | C483-E657 WeakPolarHBondContact CB-O 3.29Å; Y484-E657 WeakPolarHBondContact CD2-O 3.42Å; K543-E657 HydrophobicContact CD-CB 4.41Å; K543-E657 VanDerWaalsContact CD-OE2 3.27Å; K543-E657 WeakPolarHBondContact CD-OE2 3.14Å; K543-E657 WeakPolarHBondContact CE-OE2 3.22Å; K543-E657 IonicContact NZ-OE2 2.61Å; K543-E657 PolarHBondContact NZ-OE2 2.93Å; K654-E657 WeakPolarHBondContact O-CG 3.11Å; A655-E657 PolarHBondContact O-N 2.93Å; A655-E657 VanDerWaalsContact O-N 3.08Å; E657-V659 VanDerWaalsContact C-N 3.32Å |
| 658 | T | 70 | Confident | 74 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.8 | 175.8 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | L451 L656 V660 Y681 | L451-T658 HydrophobicContact CD1-CG2 3.46Å; L451-T658 VanDerWaalsContact CD1-CG2 3.46Å; L451-T658 HydrophobicContact CD2-CG2 3.74Å; L451-T658 HydrophobicContact CG-CG2 4.15Å; L656-T658 PolarHBondContact O-N 3.44Å; T658-V660 PolarHBondContact O-N 2.74Å; T658-Y681 HydrophobicContact CG2-CD1 4.03Å; T658-Y681 PolarHBondContact OG1-N 2.93Å; T658-Y681 PolarHBondContact OG1-O 2.88Å; T658-Y681 VanDerWaalsContact OG1-O 3.13Å |
| 659 | V | 75.1 | Confident | 74.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | trans | -93.4 | 97.4 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | Y484 I652 L656 E657 P661 L677 V680 | Y484-V659 WeakPolarHBondContact CE2-O 3.06Å; Y484-V659 PolarHBondContact OH-O 3.17Å; I652-V659 HydrophobicContact CG2-CB 4.19Å; I652-V659 HydrophobicContact CG2-CG1 4.34Å; L656-V659 HydrophobicContact CB-CB 4.12Å; L656-V659 HydrophobicContact CB-CG2 3.95Å; L656-V659 HydrophobicContact CD2-CG2 4.39Å; L656-V659 WeakPolarHBondContact O-CB 3.36Å; L656-V659 PolarHBondContact O-N 2.86Å; E657-V659 VanDerWaalsContact C-N 3.32Å; V659-P661 WeakPolarHBondContact O-CD 3.5Å; V659-L677 HydrophobicContact CG1-CD1 4.31Å; V659-V680 HydrophobicContact CG2-CB 4.25Å; V659-V680 HydrophobicContact CG2-CG1 3.92Å; V659-V680 HydrophobicContact CG2-CG2 3.95Å | ||
| 660 | V | 75.4 | Confident | 74.3 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | trans | -114.6 | 89.2 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | I356 Y484 Y507 R516 T658 I662 | I356-V660 HydrophobicContact CD1-CG1 3.86Å; Y484-V660 HydrophobicContact CD1-CG2 4.44Å; Y484-V660 HydrophobicContact CD2-CG2 4.05Å; Y484-V660 HydrophobicContact CE1-CG2 4.12Å; Y484-V660 HydrophobicContact CE2-CG2 3.69Å; Y484-V660 HydrophobicContact CG-CG2 4.4Å; Y507-V660 HydrophobicContact CD2-CG1 4.31Å; Y507-V660 HydrophobicContact CE1-CG1 4.37Å; Y507-V660 HydrophobicContact CE2-CG1 3.86Å; R516-V660 PolarHBondContact NH1-O 2.81Å; T658-V660 PolarHBondContact O-N 2.74Å; V660-I662 HydrophobicContact CG1-CB 4.27Å; V660-I662 HydrophobicContact CG1-CD1 3.57Å; V660-I662 HydrophobicContact CG1-CG1 3.8Å; V660-I662 PolarHBondContact O-N 3.12Å | ||
| 661 | P | 72.5 | Confident | 75 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | trans | -74.1 | 24.1 | -172.8 | 31.4 | -40.2 | 0 | 0 | 0 | 114.5 | V351 I356 F649 I652 V659 N663 A664 L677 | V351-P661 HydrophobicContact CG1-CG 4.49Å; V351-P661 HydrophobicContact CG2-CG 3.71Å; I356-P661 HydrophobicContact CD1-CG 4.11Å; F649-P661 HydrophobicContact CD2-CB 3.59Å; F649-P661 HydrophobicContact CD2-CG 4Å; F649-P661 HydrophobicContact CE1-CB 4.4Å; F649-P661 HydrophobicContact CE2-CB 3.42Å; F649-P661 VanDerWaalsContact CE2-CB 3.42Å; F649-P661 HydrophobicContact CE2-CG 4.27Å; F649-P661 HydrophobicContact CG-CB 4.17Å; F649-P661 HydrophobicContact CG-CG 4.14Å; F649-P661 HydrophobicContact CZ-CB 3.86Å; I652-P661 HydrophobicContact CD1-CG 3.33Å; V659-P661 WeakPolarHBondContact O-CD 3.5Å; P661-N663 PolarHBondContact O-N 2.93Å; P661-A664 HydrophobicContact CB-CB 4.1Å; P661-A664 PolarHBondContact O-N 2.76Å; P661-A664 VanDerWaalsContact O-N 3.17Å; P661-L677 HydrophobicContact CB-CD2 4.35Å | ||
| 662 | I | 71.1 | Confident | 75.5 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 122.2 | 171.5 | -58.6 | 170 | 0 | 0 | 0 | 107.1 | V351 I353 I356 Y507 M509 V660 A664 | V351-I662 HydrophobicContact CG1-CG1 4.27Å; I353-I662 VanDerWaalsContact O-CG2 3.23Å; I353-I662 WeakPolarHBondContact O-CG2 3.14Å; I356-I662 HydrophobicContact CD1-CD1 4.31Å; I356-I662 HydrophobicContact CD1-CG1 3.95Å; I356-I662 HydrophobicContact CG1-CD1 4.1Å; I356-I662 HydrophobicContact CG1-CG1 3.81Å; Y507-I662 HydrophobicContact CD2-CD1 3.1Å; Y507-I662 HydrophobicContact CE2-CD1 3.59Å; Y507-I662 HydrophobicContact CG-CD1 3.87Å; M509-I662 HydrophobicContact CE-CG2 3.63Å; M509-I662 HydrophobicContact SD-CB 4.49Å; M509-I662 HydrophobicContact SD-CG2 3.64Å; V660-I662 HydrophobicContact CG1-CB 4.27Å; V660-I662 HydrophobicContact CG1-CD1 3.57Å; V660-I662 HydrophobicContact CG1-CG1 3.8Å; V660-I662 PolarHBondContact O-N 3.12Å; I662-A664 PolarHBondContact O-N 2.95Å |
| 663 | N | 64.2 | Low | 76 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26.9 | -171 | -76.5 | -8.3 | 0 | 0 | 0 | 115.4 | M509 K514 P661 E665 | M509-N663 HydrophobicContact CE-CB 4.27Å; M509-N663 VanDerWaalsContact CE-CG 3.47Å; M509-N663 WeakPolarHBondContact CE-ND2 3.29Å; M509-N663 HydrophobicContact SD-CB 3.52Å; M509-N663 VanDerWaalsContact SD-CB 3.52Å; M509-N663 PolarHBondContact SD-ND2 3.02Å; K514-N663 HydrophobicContact CB-CB 4.25Å; K514-N663 HydrophobicContact CD-CB 4.18Å; K514-N663 WeakPolarHBondContact CD-ND2 2.77Å; P661-N663 PolarHBondContact O-N 2.93Å; N663-E665 PolarHBondContact O-N 2.96Å |
| 664 | A | 70.5 | Confident | 76.6 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | trans | -53 | 132.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F649 P661 I662 T666 L677 | F649-A664 HydrophobicContact CE2-CB 4.09Å; P661-A664 HydrophobicContact CB-CB 4.1Å; P661-A664 PolarHBondContact O-N 2.76Å; P661-A664 VanDerWaalsContact O-N 3.17Å; I662-A664 PolarHBondContact O-N 2.95Å; A664-T666 PolarHBondContact O-N 3.31Å; A664-L677 HydrophobicContact CB-CD2 3.86Å | ||
| 665 | E | 68.6 | Low | 77.3 | Confident | 98 Ų | 98 | 39.5 Ų | 39.5 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 108.1 | 179.5 | -74.1 | -164.1 | -173.9 | 0 | 0 | 108.6 | N663 I675 E676 | N663-E665 PolarHBondContact O-N 2.96Å; E665-I675 CarbonylContact O-C 3.52Å; E665-I675 WeakPolarHBondContact O-CA 3.11Å; E665-E676 HydrophobicContact CB-CB 4.28Å; E665-E676 PolarHBondContact O-N 3.06Å |
| 666 | T | 77.5 | Confident | 77.8 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.3 | 177.2 | 62.4 | 0 | 0 | 0 | 0 | 108.7 | Q647 A664 L674 I675 | Q647-T666 VanDerWaalsContact NE2-CB 3.33Å; A664-T666 PolarHBondContact O-N 3.31Å; T666-L674 CarbonylContact C-O 3.59Å; T666-L674 WeakPolarHBondContact CA-O 3.34Å; T666-I675 HydrophobicContact CG2-CG1 4.12Å; T666-I675 HydrophobicContact CG2-CG2 4.45Å |
| 667 | S | 80.8 | Confident | 77.8 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.1 | 172.1 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | Q647 G673 L674 | Q647-S667 PolarHBondContact NE2-O 2.86Å; S667-G673 WeakPolarHBondContact O-CA 3.47Å; S667-L674 PolarHBondContact N-O 3.29Å; S667-L674 PolarHBondContact O-N 3.32Å |
| 668 | I | 79.1 | Confident | 77.8 | Confident | 57 Ų | 57 | 43.4 Ų | 43.4 | 29% | 0.292 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.2 | 171.1 | -60.8 | 169.6 | 0 | 0 | 0 | 107.1 | L644 Q647 V672 | L644-I668 HydrophobicContact CB-CG2 3.97Å; L644-I668 HydrophobicContact CD2-CG1 4.19Å; L644-I668 HydrophobicContact CD2-CG2 4Å; L644-I668 HydrophobicContact CG-CD1 4.24Å; L644-I668 HydrophobicContact CG-CG1 4.4Å; L644-I668 HydrophobicContact CG-CG2 3.95Å; L644-I668 VanDerWaalsContact O-CG2 3.22Å; L644-I668 WeakPolarHBondContact O-CG2 3.45Å; Q647-I668 HydrophobicContact CB-CD1 4.34Å; Q647-I668 HydrophobicContact CG-CD1 4.03Å; Q647-I668 HydrophobicContact CG-CG1 4.04Å; I668-V672 WeakPolarHBondContact CA-O 3.27Å |
| 669 | K | 80.8 | Confident | 77.9 | Confident | 133 Ų | 133 | 43.4 Ų | 43.4 | 58% | 0.578 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 134.6 | 176.5 | -69.6 | -173.8 | 179.4 | 178.2 | 0 | 109.6 | N671 V672 | K669-N671 VanDerWaalsContact C-N 3.28Å; K669-N671 PolarHBondContact O-N 2.94Å; K669-V672 PolarHBondContact N-O 3.4Å; K669-V672 WeakPolarHBondContact O-CA 3.31Å; K669-V672 WeakPolarHBondContact O-CB 3.37Å; K669-V672 PolarHBondContact O-N 3.47Å |
| 670 | N | 80.2 | Confident | 78 | Confident | 161 Ų | 161 | 43.3 Ų | 43.3 | 86% | 0.861 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 46.8 | 174.5 | -57.9 | -15.2 | 0 | 0 | 0 | 113.2 | V672 | N670-V672 PolarHBondContact O-N 2.75Š|
| 671 | N | 86.4 | Confident | 78 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 21.3 | -178.2 | -72.6 | -15.9 | 0 | 0 | 0 | 115.8 | I637 S639 S642 V643 L644 K669 | I637-N671 HydrophobicContact CB-CB 4.16Å; I637-N671 PolarHBondContact N-O 3.22Å; S639-N671 PolarHBondContact O-ND2 2.84Å; S639-N671 VanDerWaalsContact O-ND2 3.14Å; S642-N671 PolarHBondContact O-ND2 2.68Å; S642-N671 PolarHBondContact O-OD1 3.29Å; V643-N671 VanDerWaalsContact CA-OD1 3.23Å; V643-N671 WeakPolarHBondContact CA-OD1 3.36Å; L644-N671 PolarHBondContact N-OD1 3.5Å; L644-N671 VanDerWaalsContact N-OD1 3.07Å; K669-N671 VanDerWaalsContact C-N 3.28Å; K669-N671 PolarHBondContact O-N 2.94Å |
| 672 | V | 86.3 | Confident | 77.9 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.4 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | I634 L635 Q636 I668 K669 N670 | I634-V672 HydrophobicContact CG2-CG1 3.46Å; I634-V672 VanDerWaalsContact CG2-CG1 3.46Å; L635-V672 CarbonylContact O-C 3.56Å; L635-V672 WeakPolarHBondContact O-CA 2.95Å; Q636-V672 HydrophobicContact CB-CG2 4.37Å; Q636-V672 HydrophobicContact CG-CG2 4.1Å; I668-V672 WeakPolarHBondContact CA-O 3.27Å; K669-V672 PolarHBondContact N-O 3.4Å; K669-V672 WeakPolarHBondContact O-CA 3.31Å; K669-V672 WeakPolarHBondContact O-CB 3.37Å; K669-V672 PolarHBondContact O-N 3.47Å; N670-V672 PolarHBondContact O-N 2.75Å |
| 673 | G | 87.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I634 L635 L644 Q647 S667 | I634-G673 CarbonylContact C-O 3.57Å; I634-G673 WeakPolarHBondContact CA-O 3.19Å; L635-G673 PolarHBondContact N-O 2.63Å; L635-G673 PolarHBondContact O-N 3.34Å; L644-G673 VanDerWaalsContact CD2-CA 3.48Å; Q647-G673 VanDerWaalsContact OE1-C 3.28Å; S667-G673 WeakPolarHBondContact O-CA 3.47Å |
| 674 | L | 88.8 | Confident | 77 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.8 | 177.6 | 173 | 66.8 | 0 | 0 | 0 | 109.4 | I634 Q647 T666 S667 E676 | I634-L674 HydrophobicContact CD1-CD1 4.11Å; I634-L674 HydrophobicContact CG1-CD1 3.7Å; Q647-L674 PolarHBondContact NE2-O 2.73Å; T666-L674 CarbonylContact C-O 3.59Å; T666-L674 WeakPolarHBondContact CA-O 3.34Å; S667-L674 PolarHBondContact N-O 3.29Å; S667-L674 PolarHBondContact O-N 3.32Å; L674-E676 HydrophobicContact CD1-CG 3.77Å; L674-E676 HydrophobicContact CD2-CG 4.05Å; L674-E676 HydrophobicContact CG-CG 3.84Å |
| 675 | I | 87.4 | Confident | 76.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.5 | 168.5 | -59.8 | 174.6 | 0 | 0 | 0 | 107.9 | I633 Q647 F649 E665 T666 I697 | I633-I675 HydrophobicContact CB-CB 4.3Å; I633-I675 HydrophobicContact CD1-CG2 4.48Å; I633-I675 PolarHBondContact N-O 3.05Å; I633-I675 PolarHBondContact O-N 2.88Å; Q647-I675 HydrophobicContact CG-CG1 4.45Å; F649-I675 HydrophobicContact CE2-CG2 3.82Å; F649-I675 HydrophobicContact CZ-CG2 3.57Å; E665-I675 CarbonylContact O-C 3.52Å; E665-I675 WeakPolarHBondContact O-CA 3.11Å; T666-I675 HydrophobicContact CG2-CG1 4.12Å; T666-I675 HydrophobicContact CG2-CG2 4.45Å; I675-I697 HydrophobicContact CD1-CD1 4.04Å; I675-I697 HydrophobicContact CD1-CG1 4.43Å; I675-I697 HydrophobicContact CD1-CG2 3.58Å |
| 676 | E | 82.8 | Confident | 75.8 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.2 | 175.9 | -54.9 | -160.7 | 134.1 | 0 | 0 | 111.5 | S632 E665 L674 | S632-E676 PolarHBondContact OG-OE1 3.29Å; E665-E676 HydrophobicContact CB-CB 4.28Å; E665-E676 PolarHBondContact O-N 3.06Å; L674-E676 HydrophobicContact CD1-CG 3.77Å; L674-E676 HydrophobicContact CD2-CG 4.05Å; L674-E676 HydrophobicContact CG-CG 3.84Å |
| 677 | L | 78.7 | Confident | 75.1 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.5 | 175.2 | -65.6 | 173.6 | 0 | 0 | 0 | 108.5 | V631 I633 F649 V659 P661 A664 S679 V680 M695 | V631-L677 HydrophobicContact CB-CB 4.18Å; V631-L677 PolarHBondContact N-O 2.81Å; V631-L677 PolarHBondContact O-N 3.49Å; I633-L677 HydrophobicContact CD1-CD1 4.4Å; F649-L677 HydrophobicContact CE1-CD1 4.42Å; F649-L677 HydrophobicContact CZ-CD1 4.15Å; F649-L677 HydrophobicContact CZ-CD2 3.99Å; F649-L677 HydrophobicContact CZ-CG 4.35Å; V659-L677 HydrophobicContact CG1-CD1 4.31Å; P661-L677 HydrophobicContact CB-CD2 4.35Å; A664-L677 HydrophobicContact CB-CD2 3.86Å; L677-S679 VanDerWaalsContact C-N 3.28Å; L677-S679 PolarHBondContact O-N 2.92Å; L677-V680 HydrophobicContact CD1-CG2 4.19Å; L677-M695 HydrophobicContact CD1-CE 4.39Å; L677-M695 HydrophobicContact CD1-SD 4.28Å |
| 678 | P | 70.1 | Confident | 74.6 | Confident | 58 Ų | 58 | 51 Ų | 51 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -65.5 | -33.4 | -177.8 | 25.7 | -34.2 | 0 | 0 | 0 | 112 | S629 | S629-P678 WeakPolarHBondContact CB-O 3.09Å; S629-P678 PolarHBondContact OG-O 3.32Å |
| 679 | S | 72.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | trans | -167 | 165.4 | 168.3 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | K545 Y628 L677 | K545-S679 WeakPolarHBondContact CD-OG 3.3Å; K545-S679 WeakPolarHBondContact CE-OG 3.4Å; K545-S679 PolarHBondContact NZ-OG 2.82Å; Y628-S679 CarbonylContact O-C 3.55Å; Y628-S679 WeakPolarHBondContact O-CA 3.36Å; Y628-S679 WeakPolarHBondContact O-CB 3.24Å; L677-S679 VanDerWaalsContact C-N 3.28Å; L677-S679 PolarHBondContact O-N 2.92Å | ||
| 680 | V | 77.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.2 | 163.9 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | W622 Y628 V631 L656 V659 L677 | W622-V680 HydrophobicContact CB-CG1 4.34Å; W622-V680 HydrophobicContact CD2-CB 4.1Å; W622-V680 HydrophobicContact CD2-CG1 3.56Å; W622-V680 HydrophobicContact CD2-CG2 4.45Å; W622-V680 HydrophobicContact CE3-CB 4.16Å; W622-V680 HydrophobicContact CE3-CG1 4Å; W622-V680 HydrophobicContact CG-CG1 3.71Å; W622-V680 HydrophobicContact CH2-CB 4.25Å; W622-V680 HydrophobicContact CH2-CG2 4.02Å; W622-V680 HydrophobicContact CZ2-CB 4.19Å; W622-V680 HydrophobicContact CZ2-CG1 4.33Å; W622-V680 HydrophobicContact CZ2-CG2 3.71Å; W622-V680 HydrophobicContact CZ3-CB 4.23Å; W622-V680 HydrophobicContact CZ3-CG2 4.5Å; Y628-V680 HydrophobicContact CD2-CB 4.32Å; Y628-V680 WeakPolarHBondContact CD2-O 3.36Å; Y628-V680 PolarHBondContact N-O 3.12Å; Y628-V680 PolarHBondContact O-N 2.54Å; V631-V680 HydrophobicContact CG1-CG2 4.46Å; V631-V680 HydrophobicContact CG2-CB 4.48Å; V631-V680 HydrophobicContact CG2-CG2 4.14Å; L656-V680 HydrophobicContact CD2-CG1 3.63Å; V659-V680 HydrophobicContact CG2-CB 4.25Å; V659-V680 HydrophobicContact CG2-CG1 3.92Å; V659-V680 HydrophobicContact CG2-CG2 3.95Å; L677-V680 HydrophobicContact CD1-CG2 4.19Å |
| 681 | Y | 74.2 | Confident | 73.5 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 136.1 | 177.8 | 176.2 | -122.8 | 0 | 0 | 0 | 110.8 | L451 I626 I627 T658 Q683 | L451-Y681 HydrophobicContact CD1-CD1 3.65Å; L451-Y681 HydrophobicContact CD1-CE1 3.78Å; L451-Y681 HydrophobicContact CD2-CD1 4.19Å; L451-Y681 HydrophobicContact CG-CD1 3.64Å; L451-Y681 HydrophobicContact CG-CE1 3.67Å; I626-Y681 WeakPolarHBondContact O-CD2 3.27Å; I627-Y681 HydrophobicContact CB-CD2 4.21Å; I627-Y681 HydrophobicContact CD1-CD2 4.24Å; I627-Y681 HydrophobicContact CD1-CE2 4.45Å; I627-Y681 HydrophobicContact CD1-CG 4.46Å; I627-Y681 HydrophobicContact CG1-CD1 4.41Å; I627-Y681 HydrophobicContact CG1-CD2 3.2Å; I627-Y681 HydrophobicContact CG1-CE2 3.72Å; I627-Y681 HydrophobicContact CG1-CG 3.6Å; T658-Y681 HydrophobicContact CG2-CD1 4.03Å; T658-Y681 PolarHBondContact OG1-N 2.93Å; T658-Y681 PolarHBondContact OG1-O 2.88Å; T658-Y681 VanDerWaalsContact OG1-O 3.13Å; Y681-Q683 HydrophobicContact CD1-CB 4.48Å; Y681-Q683 HydrophobicContact CE1-CB 3.61Å; Y681-Q683 HydrophobicContact CE1-CG 4.14Å |
| 682 | I | 71.1 | Confident | 73 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -122.2 | 114.4 | 171.7 | -57.4 | 169.1 | 0 | 0 | 0 | 108 | W622 E624 M625 A655 L656 R693 | W622-I682 HydrophobicContact CB-CD1 3.56Å; W622-I682 HydrophobicContact CB-CG1 4.48Å; E624-I682 HydrophobicContact CB-CG2 4.38Å; E624-I682 HydrophobicContact CG-CB 4.46Å; E624-I682 HydrophobicContact CG-CG2 3.75Å; M625-I682 WeakPolarHBondContact CA-O 3.27Å; M625-I682 PolarHBondContact N-O 3.43Å; A655-I682 HydrophobicContact CB-CG2 3.96Å; L656-I682 HydrophobicContact CD2-CD1 3.72Å; L656-I682 HydrophobicContact CD2-CG1 3.63Å; I682-R693 HydrophobicContact CD1-CB 3.87Å; I682-R693 HydrophobicContact CD1-CG 4.07Å | ||
| 683 | Q | 62.1 | Low | 72.8 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -84.8 | 130.5 | 176.9 | -168.4 | 176.4 | -10.1 | 0 | 0 | 110.3 | E453 Y681 | E453-Q683 PolarHBondContact OE1-NE2 2.89Å; E453-Q683 PolarHBondContact OE1-OE1 2.85Å; Y681-Q683 HydrophobicContact CD1-CB 4.48Å; Y681-Q683 HydrophobicContact CE1-CB 3.61Å; Y681-Q683 HydrophobicContact CE1-CG 4.14Å | ||
| 684 | S | 55.2 | Low | 72.8 | Confident | 52 Ų | 52 | 46 Ų | 46 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82 | 143.1 | -177.9 | 90.5 | 0 | 0 | 0 | 0 | 113.4 | M625 | M625-S684 WeakPolarHBondContact CE-OG 3.33Å; M625-S684 WeakPolarHBondContact CG-OG 3.46Å; M625-S684 WeakPolarHBondContact SD-CB 3.46Å; M625-S684 PolarHBondContact SD-N 3.47Å; M625-S684 PolarHBondContact SD-OG 2.93Å |
| 685 | G | 54.8 | Low | 72.6 | Confident | 83 Ų | 83 | 44.1 Ų | 44.1 | 86% | 0.856 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 170.3 | -16.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 686 | G | 57.2 | Low | 72.4 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124 | 150.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y688 | G686-Y688 VanDerWaalsContact C-N 3.26Å; G686-Y688 WeakPolarHBondContact O-CD2 3.45Å; G686-Y688 PolarHBondContact O-N 3.05Å |
| 687 | N | 64 | Low | 72.5 | Confident | 177 Ų | 177 | 43 Ų | 43 | 95% | 0.947 | 25% | 0.253 | S | S | * | . | trans | -73.9 | 78.4 | 166.7 | -77.9 | -10.3 | 0 | 0 | 0 | 109.3 | ||||
| 688 | Y | 70.7 | Confident | 72.6 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 29% | 0.286 | 25% | 0.253 | S | S | . | . | trans | -80 | 142.8 | 176.7 | -64.9 | -68.1 | 0 | 0 | 0 | 111.5 | A655 G686 E692 | A655-Y688 HydrophobicContact CB-CD1 3.91Å; A655-Y688 HydrophobicContact CB-CD2 3.81Å; A655-Y688 HydrophobicContact CB-CE1 4.19Å; A655-Y688 HydrophobicContact CB-CE2 4.09Å; A655-Y688 HydrophobicContact CB-CG 3.7Å; G686-Y688 VanDerWaalsContact C-N 3.26Å; G686-Y688 WeakPolarHBondContact O-CD2 3.45Å; G686-Y688 PolarHBondContact O-N 3.05Å; Y688-E692 WeakPolarHBondContact CA-OE2 3.45Å; Y688-E692 HydrophobicContact CD1-CB 4.26Å | ||
| 689 | S | 73.1 | Confident | 73.2 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | trans | -74.5 | 162.9 | 172 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | E691 E692 R693 | S689-E691 PolarHBondContact O-N 3.35Å; S689-E692 PolarHBondContact N-OE2 2.95Å; S689-E692 PolarHBondContact O-N 2.84Å; S689-E692 VanDerWaalsContact O-N 3.09Å; S689-E692 WeakPolarHBondContact OG-CG 3.26Å; S689-E692 PolarHBondContact OG-N 3.28Å; S689-R693 WeakPolarHBondContact O-CG 3.43Å; S689-R693 PolarHBondContact O-N 3.02Å | ||
| 690 | D | 74.8 | Confident | 73.4 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.9 | 174.1 | -73.1 | -23.3 | 0 | 0 | 0 | 112.2 | T621 E692 R693 S694 | T621-D690 HydrophobicContact CG2-CB 4.36Å; D690-E692 PolarHBondContact O-N 3.43Å; D690-R693 CarbonylContact O-C 3.58Å; D690-R693 PolarHBondContact O-N 2.82Å; D690-R693 IonicContact OD1-CZ 2.68Å; D690-R693 IonicContact OD1-NE 2.76Å; D690-R693 IonicContact OD1-NH2 3.41Å; D690-R693 PolarHBondContact OD1-NH2 2.87Å; D690-S694 WeakPolarHBondContact O-CB 3.38Å; D690-S694 PolarHBondContact O-N 2.87Å; D690-S694 VanDerWaalsContact O-N 3.09Å; D690-S694 PolarHBondContact O-OG 3.25Å |
| 691 | E | 69.3 | Low | 73.5 | Confident | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.6 | -39.3 | 177.6 | -63.9 | 175.8 | 178.9 | 0 | 0 | 111.7 | R344 T346 S689 R693 S694 | R344-E691 WeakPolarHBondContact CD-OE1 3.17Å; T346-E691 WeakPolarHBondContact CG2-OE2 3.32Å; S689-E691 PolarHBondContact O-N 3.35Å; E691-R693 PolarHBondContact O-N 3.17Å; E691-S694 PolarHBondContact O-N 2.91Å |
| 692 | E | 75.8 | Confident | 73.8 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -70.4 | -19.4 | 176.6 | -69.7 | 178.8 | 131.8 | 0 | 0 | 113.1 | G653 K654 A655 Y688 S689 D690 | G653-E692 CarbonylContact C-O 3.58Å; G653-E692 WeakPolarHBondContact CA-O 3.43Å; K654-E692 PolarHBondContact N-O 2.87Å; A655-E692 WeakPolarHBondContact CB-O 3.32Å; A655-E692 PolarHBondContact N-O 2.8Å; Y688-E692 WeakPolarHBondContact CA-OE2 3.45Å; Y688-E692 HydrophobicContact CD1-CB 4.26Å; S689-E692 PolarHBondContact N-OE2 2.95Å; S689-E692 PolarHBondContact O-N 2.84Å; S689-E692 VanDerWaalsContact O-N 3.09Å; S689-E692 WeakPolarHBondContact OG-CG 3.26Å; S689-E692 PolarHBondContact OG-N 3.28Å; D690-E692 PolarHBondContact O-N 3.43Å |
| 693 | R | 82 | Confident | 74 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -99.1 | 2.2 | 175.6 | -59.8 | -175.7 | -61.8 | -176.6 | 7.1 | 113.5 | T621 W622 E624 A655 I682 S689 D690 E691 | T621-R693 HydrophobicContact CG2-CB 4.43Å; W622-R693 PolarHBondContact N-O 2.8Å; W622-R693 VanDerWaalsContact N-O 3.08Å; E624-R693 VanDerWaalsContact OE1-CD 3.31Å; E624-R693 WeakPolarHBondContact OE1-CD 3.48Å; E624-R693 IonicContact OE1-CZ 2.75Å; E624-R693 IonicContact OE1-NE 2.93Å; E624-R693 IonicContact OE1-NH1 2.88Å; E624-R693 PolarHBondContact OE1-NH1 3.41Å; A655-R693 HydrophobicContact CB-CG 4.1Å; I682-R693 HydrophobicContact CD1-CB 3.87Å; I682-R693 HydrophobicContact CD1-CG 4.07Å; S689-R693 WeakPolarHBondContact O-CG 3.43Å; S689-R693 PolarHBondContact O-N 3.02Å; D690-R693 CarbonylContact O-C 3.58Å; D690-R693 PolarHBondContact O-N 2.82Å; D690-R693 IonicContact OD1-CZ 2.68Å; D690-R693 IonicContact OD1-NE 2.76Å; D690-R693 IonicContact OD1-NH2 3.41Å; D690-R693 PolarHBondContact OD1-NH2 2.87Å; E691-R693 PolarHBondContact O-N 3.17Å |
| 694 | S | 86 | Confident | 74.6 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.1 | -175.2 | -64 | 0 | 0 | 0 | 0 | 112.2 | I620 T621 G653 L656 D690 E691 | I620-S694 CarbonylContact O-C 3.6Å; I620-S694 WeakPolarHBondContact O-CA 3.27Å; T621-S694 WeakPolarHBondContact CB-OG 3.28Å; T621-S694 WeakPolarHBondContact CG2-OG 3.09Å; T621-S694 PolarHBondContact OG1-OG 3.2Å; G653-S694 WeakPolarHBondContact CA-O 3Å; G653-S694 PolarHBondContact N-O 2.98Å; L656-S694 WeakPolarHBondContact CD1-O 3.37Å; D690-S694 WeakPolarHBondContact O-CB 3.38Å; D690-S694 PolarHBondContact O-N 2.87Å; D690-S694 VanDerWaalsContact O-N 3.09Å; D690-S694 PolarHBondContact O-OG 3.25Å; E691-S694 PolarHBondContact O-N 2.91Å |
| 695 | M | 86.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.8 | 164.5 | 65.4 | -171.7 | -167.7 | 0 | 0 | 109.8 | I620 W622 I633 F649 S651 L656 L677 I697 | I620-M695 HydrophobicContact CB-CE 3.99Å; I620-M695 HydrophobicContact CB-CG 4.12Å; I620-M695 HydrophobicContact CD1-CE 3.53Å; I620-M695 HydrophobicContact CG1-CE 4.31Å; I620-M695 HydrophobicContact CG2-CE 4.2Å; I620-M695 PolarHBondContact N-O 2.68Å; I620-M695 PolarHBondContact O-N 2.83Å; W622-M695 HydrophobicContact CZ2-CE 3.46Å; W622-M695 VanDerWaalsContact CZ2-CE 3.46Å; W622-M695 HydrophobicContact CZ2-SD 4.29Å; W622-M695 PolarHBondContact NE1-SD 3.43Å; I633-M695 HydrophobicContact CD1-CE 3.26Å; I633-M695 HydrophobicContact CG1-CE 4.36Å; F649-M695 HydrophobicContact CE1-SD 4.36Å; S651-M695 WeakPolarHBondContact O-CA 3.46Å; L656-M695 HydrophobicContact CD1-CB 3.86Å; L677-M695 HydrophobicContact CD1-CE 4.39Å; L677-M695 HydrophobicContact CD1-SD 4.28Å; M695-I697 HydrophobicContact CE-CD1 4.31Å |
| 696 | T | 82.8 | Confident | 76.1 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.7 | -177.3 | -56 | 0 | 0 | 0 | 0 | 109.9 | F617 A618 V619 C650 S651 | F617-T696 HydrophobicContact CB-CG2 4.23Å; F617-T696 HydrophobicContact CD1-CG2 3.92Å; F617-T696 HydrophobicContact CG-CG2 4.47Å; A618-T696 CarbonylContact O-C 3.58Å; A618-T696 WeakPolarHBondContact O-CA 3.31Å; V619-T696 HydrophobicContact CG2-CG2 4.12Å; C650-T696 HydrophobicContact CB-CG2 4.39Å; C650-T696 PolarHBondContact N-O 2.86Å; S651-T696 PolarHBondContact N-O 2.77Å; S651-T696 PolarHBondContact O-N 2.8Å |
| 697 | I | 84.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.2 | 179.5 | -57.7 | 162.9 | 0 | 0 | 0 | 108.5 | F617 A618 I620 I633 F649 I675 M695 Y699 | F617-I697 CarbonylContact C-O 3.56Å; F617-I697 WeakPolarHBondContact CA-O 3.17Å; A618-I697 HydrophobicContact CB-CB 4.45Å; A618-I697 PolarHBondContact N-O 2.82Å; A618-I697 PolarHBondContact O-N 2.87Å; I620-I697 HydrophobicContact CD1-CD1 4.19Å; I633-I697 HydrophobicContact CD1-CD1 3.52Å; I633-I697 HydrophobicContact CG2-CD1 4.16Å; F649-I697 HydrophobicContact CD1-CG1 4.02Å; F649-I697 HydrophobicContact CE1-CD1 4.26Å; F649-I697 HydrophobicContact CE1-CG1 4.07Å; I675-I697 HydrophobicContact CD1-CD1 4.04Å; I675-I697 HydrophobicContact CD1-CG1 4.43Å; I675-I697 HydrophobicContact CD1-CG2 3.58Å; M695-I697 HydrophobicContact CE-CD1 4.31Å; I697-Y699 HydrophobicContact CB-CE2 3.97Å; I697-Y699 HydrophobicContact CG2-CD2 4.08Å; I697-Y699 HydrophobicContact CG2-CE1 4.22Å; I697-Y699 HydrophobicContact CG2-CE2 3.45Å; I697-Y699 VanDerWaalsContact CG2-CE2 3.45Å |
| 698 | K | 80.5 | Confident | 77.6 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.2 | 173.4 | -177.8 | -168.6 | 179.2 | -160.5 | 0 | 109.4 | T615 L616 F617 Q647 K648 C650 V700 L808 Q832 | T615-K698 HydrophobicContact CG2-CD 4.18Å; T615-K698 HydrophobicContact CG2-CG 3.65Å; L616-K698 CarbonylContact O-C 3.59Å; L616-K698 WeakPolarHBondContact O-CA 2.89Å; F617-K698 HydrophobicContact CD1-CB 4.01Å; F617-K698 HydrophobicContact CD1-CG 4.36Å; F617-K698 HydrophobicContact CE1-CB 3.68Å; F617-K698 HydrophobicContact CE1-CD 4.32Å; F617-K698 HydrophobicContact CE1-CG 3.73Å; F617-K698 HydrophobicContact CZ-CD 4.47Å; F617-K698 HydrophobicContact CZ-CG 4.07Å; Q647-K698 CarbonylContact C-O 3.54Å; Q647-K698 VanDerWaalsContact CA-O 3.27Å; Q647-K698 WeakPolarHBondContact CA-O 3.43Å; K648-K698 PolarHBondContact N-O 2.9Å; K648-K698 PolarHBondContact O-N 3.5Å; C650-K698 WeakPolarHBondContact SG-CB 3.29Å; K698-V700 HydrophobicContact CD-CG2 4.46Å; K698-L808 PolarHBondContact NZ-O 2.66Å; K698-Q832 VanDerWaalsContact NZ-OE1 3.14Å |
| 699 | Y | 83.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145 | 168.5 | -60.8 | -89.6 | 0 | 0 | 0 | 109.9 | T615 L616 A618 L635 L644 E646 Q647 I697 | T615-Y699 WeakPolarHBondContact CA-O 3.48Å; L616-Y699 HydrophobicContact CD2-CD2 4.1Å; L616-Y699 HydrophobicContact CD2-CG 4.47Å; L616-Y699 PolarHBondContact N-O 2.75Å; L616-Y699 PolarHBondContact O-N 3.23Å; A618-Y699 HydrophobicContact CB-CD2 4.5Å; A618-Y699 HydrophobicContact CB-CE2 3.89Å; L635-Y699 HydrophobicContact CB-CD1 4.24Å; L635-Y699 HydrophobicContact CB-CE1 3.79Å; L635-Y699 HydrophobicContact CB-CE2 4.41Å; L635-Y699 HydrophobicContact CD2-CD1 3.43Å; L635-Y699 VanDerWaalsContact CD2-CD1 3.43Å; L635-Y699 HydrophobicContact CD2-CD2 3.76Å; L635-Y699 HydrophobicContact CD2-CE1 3.85Å; L635-Y699 HydrophobicContact CD2-CE2 4.15Å; L635-Y699 HydrophobicContact CD2-CG 3.36Å; L635-Y699 HydrophobicContact CG-CD1 4.48Å; L635-Y699 HydrophobicContact CG-CE1 4.48Å; L644-Y699 HydrophobicContact CD1-CD1 4.11Å; L644-Y699 HydrophobicContact CD2-CD1 4.42Å; E646-Y699 WeakPolarHBondContact O-CA 3.37Å; Q647-Y699 HydrophobicContact CB-CD1 3.55Å; Q647-Y699 HydrophobicContact CB-CE1 3.64Å; I697-Y699 HydrophobicContact CB-CE2 3.97Å; I697-Y699 HydrophobicContact CG2-CD2 4.08Å; I697-Y699 HydrophobicContact CG2-CE1 4.22Å; I697-Y699 HydrophobicContact CG2-CE2 3.45Å; I697-Y699 VanDerWaalsContact CG2-CE2 3.45Å |
| 700 | V | 76.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.2 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | Y613 T614 L644 I645 E646 K698 T811 | Y613-V700 HydrophobicContact CD1-CG1 4.24Å; Y613-V700 HydrophobicContact CG-CG1 4.46Å; T614-V700 WeakPolarHBondContact O-CA 3.02Å; L644-V700 WeakPolarHBondContact CD1-O 3.48Å; I645-V700 HydrophobicContact CD1-CB 4.39Å; I645-V700 HydrophobicContact CD1-CG1 3.74Å; I645-V700 HydrophobicContact CG1-CB 4.02Å; I645-V700 HydrophobicContact CG1-CG1 3.78Å; I645-V700 VanDerWaalsContact CG1-O 3.29Å; I645-V700 WeakPolarHBondContact CG1-O 3.33Å; I645-V700 PolarHBondContact N-O 3.32Å; E646-V700 HydrophobicContact CB-CB 3.79Å; E646-V700 HydrophobicContact CB-CG2 3.93Å; E646-V700 PolarHBondContact N-O 2.86Å; E646-V700 PolarHBondContact O-N 2.89Å; K698-V700 HydrophobicContact CD-CG2 4.46Å; V700-T811 HydrophobicContact CB-CG2 4.42Å; V700-T811 HydrophobicContact CG1-CG2 3.77Å; V700-T811 HydrophobicContact CG2-CG2 4.32Å |
| 701 | I | 79.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126 | -177.6 | -47.8 | 169.5 | 0 | 0 | 0 | 108.7 | Y613 T614 I637 V643 L644 I703 L711 F728 | Y613-I701 CarbonylContact C-O 3.58Å; Y613-I701 VanDerWaalsContact CA-O 3.31Å; Y613-I701 WeakPolarHBondContact CA-O 3.22Å; T614-I701 HydrophobicContact CG2-CB 3.74Å; T614-I701 HydrophobicContact CG2-CD1 4.18Å; T614-I701 HydrophobicContact CG2-CG1 4.31Å; T614-I701 PolarHBondContact N-O 3.29Å; T614-I701 PolarHBondContact O-N 2.89Å; I637-I701 HydrophobicContact CD1-CB 4.35Å; I637-I701 HydrophobicContact CD1-CD1 3.65Å; I637-I701 HydrophobicContact CD1-CG1 3.59Å; I637-I701 HydrophobicContact CD1-CG2 3.9Å; V643-I701 CarbonylContact O-C 3.56Å; V643-I701 WeakPolarHBondContact O-CA 3.4Å; L644-I701 HydrophobicContact CD1-CG1 4.21Å; I701-I703 HydrophobicContact CB-CD1 4.49Å; I701-I703 HydrophobicContact CG2-CD1 3.98Å; I701-L711 HydrophobicContact CD1-CD2 3.8Å; I701-F728 HydrophobicContact CD1-CE1 4.45Å; I701-F728 HydrophobicContact CD1-CZ 4.45Å |
| 702 | E | 79.3 | Confident | 80.3 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.2 | 167.6 | -168.7 | 166.7 | -134.2 | 0 | 0 | 108.7 | Y613 S642 V643 I645 K814 | Y613-E702 HydrophobicContact CD1-CB 3.8Å; Y613-E702 HydrophobicContact CD1-CG 4.02Å; Y613-E702 HydrophobicContact CE1-CB 3.55Å; Y613-E702 HydrophobicContact CE1-CG 3.44Å; Y613-E702 VanDerWaalsContact CE1-CG 3.44Å; Y613-E702 WeakPolarHBondContact CE1-OE1 3.12Å; Y613-E702 PolarHBondContact OH-OE1 3.04Å; S642-E702 CarbonylContact C-O 3.56Å; S642-E702 WeakPolarHBondContact CA-O 3.43Å; S642-E702 WeakPolarHBondContact CB-O 3.31Å; V643-E702 PolarHBondContact N-O 2.76Å; V643-E702 PolarHBondContact O-N 3.38Å; I645-E702 HydrophobicContact CG2-CB 4.11Å; E702-K814 IonicContact OE1-NZ 2.83Å; E702-K814 PolarHBondContact OE1-NZ 2.89Å; E702-K814 IonicContact OE2-NZ 3.73Å; E702-K814 PolarHBondContact OE2-NZ 3.5Å |
| 703 | I | 75.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112.5 | -178.4 | -58.9 | -61.4 | 0 | 0 | 0 | 109.7 | N611 Y612 T614 I701 E705 I709 F728 P730 | N611-I703 WeakPolarHBondContact CA-O 3.43Å; N611-I703 PolarHBondContact N-O 2.76Å; N611-I703 VanDerWaalsContact N-O 3.1Å; Y612-I703 HydrophobicContact CD1-CB 4.19Å; Y612-I703 HydrophobicContact CD1-CG2 4.29Å; Y612-I703 HydrophobicContact CD2-CB 4.34Å; Y612-I703 HydrophobicContact CD2-CG1 4.3Å; Y612-I703 HydrophobicContact CE1-CB 3.96Å; Y612-I703 HydrophobicContact CE1-CG1 4.49Å; Y612-I703 HydrophobicContact CE1-CG2 3.69Å; Y612-I703 HydrophobicContact CE2-CB 4.07Å; Y612-I703 HydrophobicContact CE2-CG1 3.78Å; Y612-I703 HydrophobicContact CE2-CG2 4.47Å; Y612-I703 HydrophobicContact CG-CB 4.4Å; Y612-I703 PolarHBondContact N-O 2.85Å; Y612-I703 WeakPolarHBondContact O-CB 3.4Å; Y612-I703 PolarHBondContact O-N 3.39Å; T614-I703 HydrophobicContact CG2-CD1 3.64Å; T614-I703 HydrophobicContact CG2-CG1 3.8Å; I701-I703 HydrophobicContact CB-CD1 4.49Å; I701-I703 HydrophobicContact CG2-CD1 3.98Å; I703-E705 VanDerWaalsContact CG2-O 3.26Å; I703-E705 WeakPolarHBondContact CG2-O 3.23Å; I703-I709 HydrophobicContact CD1-CD1 3.47Å; I703-I709 VanDerWaalsContact CD1-CD1 3.47Å; I703-F728 HydrophobicContact CD1-CZ 4.26Å; I703-P730 HydrophobicContact CD1-CB 4.34Å; I703-P730 HydrophobicContact CD1-CG 4.17Å; I703-P730 HydrophobicContact CG1-CB 4.42Å; I703-P730 HydrophobicContact CG2-CB 3.69Å; I703-P730 HydrophobicContact CG2-CG 4.02Å |
| 704 | N | 74.5 | Confident | 81.6 | Confident | 29 Ų | 29 | 22.5 Ų | 22.5 | 16% | 0.155 | 12% | 0.123 | C | C | . | . | trans | -118.5 | 3.7 | 178.8 | -60.2 | -32.2 | 0 | 0 | 0 | 112.3 | N611 K641 S642 | N611-N704 PolarHBondContact OD1-OD1 2.83Å; K641-N704 HydrophobicContact CB-CB 3.8Å; K641-N704 WeakPolarHBondContact CD-O 3.42Å; K641-N704 WeakPolarHBondContact O-CB 3.4Å; K641-N704 PolarHBondContact O-ND2 2.75Å; S642-N704 PolarHBondContact OG-N 2.95Å; S642-N704 VanDerWaalsContact OG-N 3.15Å | ||
| 705 | E | 72.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 22.1 Ų | 22.1 | 12% | 0.121 | 12% | 0.12 | C | C | . | . | trans | -146.5 | 150.2 | 173.8 | 60 | -174.6 | -155.9 | 0 | 0 | 110.6 | S639 K641 I703 T707 | S639-E705 WeakPolarHBondContact CA-OE1 3.44Å; S639-E705 VanDerWaalsContact CB-OE1 3.3Å; S639-E705 WeakPolarHBondContact CB-OE1 3.32Å; S639-E705 WeakPolarHBondContact OG-CG 3.4Å; S639-E705 PolarHBondContact OG-OE1 3.45Å; K641-E705 HydrophobicContact CB-CB 4.13Å; K641-E705 HydrophobicContact CB-CG 4.17Å; K641-E705 WeakPolarHBondContact CB-OE2 3.25Å; K641-E705 HydrophobicContact CD-CB 4.16Å; K641-E705 PolarHBondContact N-OE2 3.47Å; I703-E705 VanDerWaalsContact CG2-O 3.26Å; I703-E705 WeakPolarHBondContact CG2-O 3.23Å; E705-T707 VanDerWaalsContact CD-OG1 3.26Å; E705-T707 WeakPolarHBondContact CG-OG1 3.39Å; E705-T707 PolarHBondContact OE1-OG1 3.46Å | ||
| 706 | I | 69.2 | Low | 82 | Confident | 80 Ų | 80 | 25 Ų | 25 | 41% | 0.41 | 14% | 0.135 | S | C | . | . | trans | -106.5 | 30.1 | -176.5 | -40.1 | -179.3 | 0 | 0 | 0 | 110.2 | P608 | P608-I706 HydrophobicContact CB-CD1 3.14Å; P608-I706 HydrophobicContact CG-CD1 4.44Å | ||
| 707 | T | 73.9 | Confident | 82.1 | Confident | 77 Ų | 77 | 23.7 Ų | 23.7 | 47% | 0.472 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -96 | 162.7 | 176.1 | 44.8 | 0 | 0 | 0 | 0 | 110.3 | E705 I709 P730 | E705-T707 VanDerWaalsContact CD-OG1 3.26Å; E705-T707 WeakPolarHBondContact CG-OG1 3.39Å; E705-T707 PolarHBondContact OE1-OG1 3.46Å; T707-I709 PolarHBondContact O-N 3.09Å; T707-I709 VanDerWaalsContact O-N 3.15Å; T707-P730 VanDerWaalsContact O-CD 3.25Å; T707-P730 WeakPolarHBondContact O-CD 3.24Å |
| 708 | N | 78.2 | Confident | 81.7 | Confident | 105 Ų | 105 | 26.7 Ų | 26.7 | 56% | 0.561 | 14% | 0.143 | S | C | * | . | P | Polyproline II helix | trans | -56.5 | 120.4 | 176.7 | -67.4 | 4.3 | 0 | 0 | 0 | 110.5 | T727 V729 | N708-T727 HydrophobicContact CB-CG2 3.89Å; N708-V729 WeakPolarHBondContact OD1-CG2 3.34Å |
| 709 | I | 81.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.8 | 174.8 | -59.5 | -178.1 | 0 | 0 | 0 | 107.6 | I637 I703 T707 L711 T727 F728 P730 | I637-I709 HydrophobicContact CG2-CG2 3.31Å; I703-I709 HydrophobicContact CD1-CD1 3.47Å; I703-I709 VanDerWaalsContact CD1-CD1 3.47Å; T707-I709 PolarHBondContact O-N 3.09Å; T707-I709 VanDerWaalsContact O-N 3.15Å; I709-L711 HydrophobicContact CG2-CD2 4.16Å; I709-T727 WeakPolarHBondContact O-CA 3.38Å; I709-F728 HydrophobicContact CB-CD1 4.38Å; I709-F728 HydrophobicContact CB-CE1 3.88Å; I709-F728 HydrophobicContact CB-CZ 4.13Å; I709-F728 HydrophobicContact CD1-CZ 4.12Å; I709-F728 HydrophobicContact CG2-CE1 3.93Å; I709-F728 HydrophobicContact CG2-CZ 4.37Å; I709-F728 PolarHBondContact N-O 3.12Å; I709-F728 PolarHBondContact O-N 3Å; I709-P730 HydrophobicContact CD1-CG 3.76Å; I709-P730 HydrophobicContact CG1-CG 4.1Å |
| 710 | T | 85.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.4 | 173 | -53.9 | 0 | 0 | 0 | 0 | 109 | S638 Q725 T727 | S638-T710 PolarHBondContact N-O 3.07Å; S638-T710 WeakPolarHBondContact OG-CB 3.36Å; S638-T710 PolarHBondContact OG-N 2.63Å; S638-T710 PolarHBondContact OG-O 3.15Å; T710-Q725 HydrophobicContact CG2-CG 3.73Å; T710-Q725 VanDerWaalsContact CG2-NE2 3.34Å; T710-T727 PolarHBondContact OG1-OG1 2.83Å |
| 711 | L | 88.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.1 | 178 | -59.9 | 173.3 | 0 | 0 | 0 | 108.4 | L598 V600 L616 L635 Q636 I637 I701 I709 Q725 M726 F728 | L598-L711 HydrophobicContact CD1-CB 4.41Å; V600-L711 HydrophobicContact CG2-CD1 4.06Å; L616-L711 HydrophobicContact CD1-CD1 3.66Å; L616-L711 HydrophobicContact CD2-CD1 3.92Å; L616-L711 HydrophobicContact CG-CD1 4.37Å; L635-L711 HydrophobicContact CD1-CB 4.44Å; Q636-L711 WeakPolarHBondContact O-CA 3.48Å; I637-L711 HydrophobicContact CB-CD2 4.29Å; I637-L711 HydrophobicContact CD1-CD2 4.35Å; I637-L711 HydrophobicContact CG1-CD2 3.8Å; I637-L711 HydrophobicContact CG2-CD2 4.05Å; I701-L711 HydrophobicContact CD1-CD2 3.8Å; I709-L711 HydrophobicContact CG2-CD2 4.16Å; L711-Q725 CarbonylContact O-C 3.56Å; L711-Q725 VanDerWaalsContact O-CA 3.32Å; L711-Q725 WeakPolarHBondContact O-CA 3.37Å; L711-M726 WeakPolarHBondContact CB-O 3.49Å; L711-M726 PolarHBondContact N-O 2.79Å; L711-M726 PolarHBondContact O-N 3.36Å; L711-F728 HydrophobicContact CD1-CD1 3.65Å; L711-F728 HydrophobicContact CD1-CE1 3.57Å; L711-F728 HydrophobicContact CD2-CE1 4.18Å; L711-F728 HydrophobicContact CG-CD1 4.06Å; L711-F728 HydrophobicContact CG-CE1 3.87Å |
| 712 | D | 90.1 | Very high | 82.3 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111 | 174.9 | -70.2 | -46.6 | 0 | 0 | 0 | 109.3 | L635 Q636 Q725 | L635-D712 WeakPolarHBondContact CA-O 3.07Å; Q636-D712 HydrophobicContact CB-CB 4.43Å; Q636-D712 PolarHBondContact N-O 2.9Å; Q636-D712 PolarHBondContact O-N 2.75Å; D712-Q725 VanDerWaalsContact OD1-CB 3.31Å; D712-Q725 WeakPolarHBondContact OD1-CB 3.37Å; D712-Q725 VanDerWaalsContact OD1-CD 3.28Å; D712-Q725 WeakPolarHBondContact OD1-CG 3.23Å; D712-Q725 PolarHBondContact OD1-NE2 2.8Å |
| 713 | L | 92.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.1 | 170.9 | -179.6 | 72.1 | 0 | 0 | 0 | 109.1 | A596 L598 A618 I633 I634 L635 I715 T723 K724 | A596-L713 HydrophobicContact CB-CD2 4.1Å; L598-L713 HydrophobicContact CD1-CB 3.88Å; L598-L713 HydrophobicContact CD2-CB 4.08Å; L598-L713 HydrophobicContact CD2-CD2 3.79Å; L598-L713 HydrophobicContact CD2-CG 4.41Å; L598-L713 HydrophobicContact CG-CB 4.17Å; L598-L713 HydrophobicContact CG-CD2 4.18Å; A618-L713 HydrophobicContact CB-CD1 4.41Å; A618-L713 HydrophobicContact CB-CD2 3.91Å; I633-L713 HydrophobicContact CG2-CD1 3.73Å; I634-L713 CarbonylContact O-C 3.55Å; I634-L713 WeakPolarHBondContact O-CA 3.16Å; L635-L713 HydrophobicContact CB-CD1 4.46Å; L635-L713 HydrophobicContact CD1-CB 4.37Å; L635-L713 HydrophobicContact CD1-CD1 4.47Å; L713-I715 HydrophobicContact CD2-CD1 4.49Å; L713-I715 HydrophobicContact CG-CG1 4.49Å; L713-T723 CarbonylContact O-C 3.56Å; L713-T723 VanDerWaalsContact O-CA 3.32Å; L713-T723 WeakPolarHBondContact O-CA 3.35Å; L713-K724 HydrophobicContact CB-CB 4.46Å; L713-K724 PolarHBondContact N-O 3.07Å; L713-K724 PolarHBondContact O-N 2.93Å |
| 714 | H | 92.2 | Very high | 83.5 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.111 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.7 | 173.1 | -56 | -51.1 | 0 | 0 | 0 | 110.4 | I633 I634 L716 K721 I722 T723 | I633-H714 CarbonylContact C-O 3.6Å; I633-H714 WeakPolarHBondContact CA-O 3.31Å; I634-H714 HydrophobicContact CB-CB 4.22Å; I634-H714 PolarHBondContact N-O 3.17Å; I634-H714 PolarHBondContact O-N 2.96Å; H714-L716 HydrophobicContact CB-CD1 4.26Å; H714-K721 VanDerWaalsContact CE1-CE 3.48Å; H714-K721 WeakPolarHBondContact CE1-CE 3.49Å; H714-K721 PolarHBondContact CE1-NZ 3.14Å; H714-K721 WeakPolarHBondContact ND1-CE 3.41Å; H714-K721 PolarHBondContact ND1-NZ 2.87Å; H714-K721 PolarHBondContact NE2-NZ 2.78Å; H714-I722 CarbonylContact C-O 3.59Å; H714-I722 WeakPolarHBondContact CA-O 3.39Å; H714-T723 WeakPolarHBondContact CE1-CG2 3.47Å; H714-T723 PolarHBondContact CE1-OG1 3.48Å; H714-T723 VanDerWaalsContact ND1-CG2 3.28Å; H714-T723 WeakPolarHBondContact ND1-CG2 3.28Å; H714-T723 PolarHBondContact ND1-OG1 2.95Å |
| 715 | I | 91.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.9 | 172.1 | -55.1 | 165 | 0 | 0 | 0 | 106.6 | A596 I620 W622 S632 L713 F717 K721 I722 | A596-I715 HydrophobicContact CB-CD1 3.43Å; A596-I715 VanDerWaalsContact CB-CD1 3.43Å; I620-I715 HydrophobicContact CB-CD1 4.45Å; I620-I715 HydrophobicContact CD1-CD1 3.64Å; I620-I715 HydrophobicContact CD1-CG1 4.08Å; I620-I715 HydrophobicContact CG1-CD1 3.74Å; I620-I715 HydrophobicContact CG2-CD1 3.86Å; W622-I715 HydrophobicContact CH2-CG2 4.13Å; S632-I715 WeakPolarHBondContact O-CA 3.36Å; L713-I715 HydrophobicContact CD2-CD1 4.49Å; L713-I715 HydrophobicContact CG-CG1 4.49Å; I715-F717 HydrophobicContact CG2-CD1 4.09Å; I715-K721 WeakPolarHBondContact O-CA 3.31Å; I715-I722 PolarHBondContact N-O 3.01Å; I715-I722 PolarHBondContact O-N 2.81Å |
| 716 | L | 89.1 | Confident | 84.8 | Confident | 61 Ų | 61 | 53 Ų | 53 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.7 | 177.6 | -58.4 | 102 | 0 | 0 | 0 | 109.3 | V631 S632 I634 H714 E720 K721 | V631-L716 CarbonylContact C-O 3.58Å; V631-L716 WeakPolarHBondContact CA-O 3.35Å; S632-L716 PolarHBondContact N-O 2.85Å; S632-L716 PolarHBondContact O-N 2.9Å; I634-L716 HydrophobicContact CD1-CD1 3.45Å; I634-L716 VanDerWaalsContact CD1-CD1 3.45Å; I634-L716 HydrophobicContact CG1-CD1 3.83Å; H714-L716 HydrophobicContact CB-CD1 4.26Å; L716-E720 WeakPolarHBondContact CA-O 3.4Å; L716-K721 HydrophobicContact CD2-CB 4.46Å; L716-K721 HydrophobicContact CG-CB 4.41Å; L716-K721 HydrophobicContact CG-CG 4.3Å |
| 717 | F | 85.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 140.1 | 177.3 | 57.2 | -87.6 | 0 | 0 | 0 | 111.5 | I588 R593 P594 Y628 P630 V631 I715 G719 E720 I722 | I588-F717 HydrophobicContact CD1-CD2 3.87Å; I588-F717 HydrophobicContact CD1-CE2 4.02Å; R593-F717 HydrophobicContact CG-CZ 4.42Å; P594-F717 HydrophobicContact CG-CD1 4.1Å; P594-F717 HydrophobicContact CG-CE1 3.61Å; P594-F717 HydrophobicContact CG-CZ 4.01Å; Y628-F717 HydrophobicContact CD1-CB 4.42Å; Y628-F717 AromaticContact CD1-CD2 3.65Å; Y628-F717 HydrophobicContact CD1-CD2 3.65Å; Y628-F717 HydrophobicContact CD1-CE2 4.12Å; Y628-F717 HydrophobicContact CD1-CG 4.01Å; Y628-F717 HydrophobicContact CE1-CD2 4.32Å; Y628-F717 HydrophobicContact CE1-CE2 4.34Å; P630-F717 VanDerWaalsContact O-CA 3.25Å; P630-F717 WeakPolarHBondContact O-CA 3.22Å; V631-F717 HydrophobicContact CG2-CB 4.18Å; I715-F717 HydrophobicContact CG2-CD1 4.09Å; F717-G719 PolarHBondContact O-N 3.43Å; F717-E720 HydrophobicContact CD2-CB 4.37Å; F717-E720 HydrophobicContact CE2-CB 3.92Å; F717-E720 HydrophobicContact CZ-CB 4.11Å; F717-E720 PolarHBondContact N-O 2.83Å; F717-E720 WeakPolarHBondContact O-CA 3.41Å; F717-E720 PolarHBondContact O-N 3.48Å; F717-I722 HydrophobicContact CE1-CB 4.44Å; F717-I722 HydrophobicContact CE1-CD1 3.58Å; F717-I722 HydrophobicContact CE1-CG1 3.73Å; F717-I722 HydrophobicContact CZ-CD1 3.68Å; F717-I722 HydrophobicContact CZ-CG1 3.97Å |
| 718 | N | 74.9 | Confident | 85.5 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 27.1 | 178.2 | -56.1 | 30.2 | 0 | 0 | 0 | 113.9 | I588 I627 Y628 S629 E720 | I588-N718 HydrophobicContact CD1-CB 4.12Å; I588-N718 VanDerWaalsContact CD1-ND2 3.29Å; I588-N718 WeakPolarHBondContact CD1-ND2 3.27Å; I627-N718 PolarHBondContact O-ND2 2.88Å; Y628-N718 WeakPolarHBondContact CA-OD1 3.41Å; S629-N718 PolarHBondContact N-OD1 3.06Å; S629-N718 PolarHBondContact O-N 2.6Å; S629-N718 PolarHBondContact O-OD1 3.1Å; N718-E720 VanDerWaalsContact C-N 3.29Å; N718-E720 PolarHBondContact O-N 3.24Å |
| 719 | G | 74.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 89% | 0.887 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -6.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | F717 | F717-G719 PolarHBondContact O-N 3.43Š|
| 720 | E | 83.4 | Confident | 84.4 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 159.3 | 167.8 | -61.6 | -157.6 | 147.4 | 0 | 0 | 111.7 | R593 L716 F717 N718 | R593-E720 IonicContact CZ-OE1 2.69Å; R593-E720 IonicContact CZ-OE2 3.66Å; R593-E720 IonicContact NE-OE1 3.78Å; R593-E720 IonicContact NE-OE2 3.88Å; R593-E720 PolarHBondContact NE-OE2 2.77Å; R593-E720 VanDerWaalsContact NH2-CD 3.34Å; R593-E720 IonicContact NH2-OE1 2.8Å; R593-E720 PolarHBondContact NH2-OE1 2.85Å; R593-E720 IonicContact NH2-OE2 3.18Å; R593-E720 PolarHBondContact NH2-OE2 3.44Å; L716-E720 WeakPolarHBondContact CA-O 3.4Å; F717-E720 HydrophobicContact CD2-CB 4.37Å; F717-E720 HydrophobicContact CE2-CB 3.92Å; F717-E720 HydrophobicContact CZ-CB 4.11Å; F717-E720 PolarHBondContact N-O 2.83Å; F717-E720 WeakPolarHBondContact O-CA 3.41Å; F717-E720 PolarHBondContact O-N 3.48Å; N718-E720 VanDerWaalsContact C-N 3.29Å; N718-E720 PolarHBondContact O-N 3.24Å |
| 721 | K | 86.1 | Confident | 83 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 127.5 | 177.2 | 176.2 | -179.2 | 175.8 | 175.5 | 0 | 110.2 | H714 I715 L716 T723 | H714-K721 VanDerWaalsContact CE1-CE 3.48Å; H714-K721 WeakPolarHBondContact CE1-CE 3.49Å; H714-K721 PolarHBondContact CE1-NZ 3.14Å; H714-K721 WeakPolarHBondContact ND1-CE 3.41Å; H714-K721 PolarHBondContact ND1-NZ 2.87Å; H714-K721 PolarHBondContact NE2-NZ 2.78Å; I715-K721 WeakPolarHBondContact O-CA 3.31Å; L716-K721 HydrophobicContact CD2-CB 4.46Å; L716-K721 HydrophobicContact CG-CB 4.41Å; L716-K721 HydrophobicContact CG-CG 4.3Å; K721-T723 VanDerWaalsContact CE-OG1 3.26Å; K721-T723 WeakPolarHBondContact CE-OG1 2.98Å |
| 722 | I | 89.4 | Confident | 81.7 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.1 | 166.6 | -63.5 | 177.4 | 0 | 0 | 0 | 108.4 | R593 P594 H714 I715 F717 | R593-I722 HydrophobicContact CB-CD1 3.84Å; R593-I722 HydrophobicContact CG-CD1 4.39Å; P594-I722 HydrophobicContact CG-CD1 3.81Å; P594-I722 WeakPolarHBondContact O-CD1 3.4Å; H714-I722 CarbonylContact C-O 3.59Å; H714-I722 WeakPolarHBondContact CA-O 3.39Å; I715-I722 PolarHBondContact N-O 3.01Å; I715-I722 PolarHBondContact O-N 2.81Å; F717-I722 HydrophobicContact CE1-CB 4.44Å; F717-I722 HydrophobicContact CE1-CD1 3.58Å; F717-I722 HydrophobicContact CE1-CG1 3.73Å; F717-I722 HydrophobicContact CZ-CD1 3.68Å; F717-I722 HydrophobicContact CZ-CG1 3.97Å |
| 723 | T | 89.4 | Confident | 80.1 | Confident | 70 Ų | 70 | 53 Ų | 53 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.9 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | L713 H714 K721 | L713-T723 CarbonylContact O-C 3.56Å; L713-T723 VanDerWaalsContact O-CA 3.32Å; L713-T723 WeakPolarHBondContact O-CA 3.35Å; H714-T723 WeakPolarHBondContact CE1-CG2 3.47Å; H714-T723 PolarHBondContact CE1-OG1 3.48Å; H714-T723 VanDerWaalsContact ND1-CG2 3.28Å; H714-T723 WeakPolarHBondContact ND1-CG2 3.28Å; H714-T723 PolarHBondContact ND1-OG1 2.95Å; K721-T723 VanDerWaalsContact CE-OG1 3.26Å; K721-T723 WeakPolarHBondContact CE-OG1 2.98Å |
| 724 | K | 90.6 | Very high | 78.3 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.1 | 167.9 | -172.2 | 64.7 | 177.9 | 177.7 | 0 | 109.1 | A596 L598 L713 | A596-K724 HydrophobicContact CB-CB 4.45Å; L598-K724 HydrophobicContact CD1-CG 4.47Å; L598-K724 HydrophobicContact CG-CG 4.39Å; L713-K724 HydrophobicContact CB-CB 4.46Å; L713-K724 PolarHBondContact N-O 3.07Å; L713-K724 PolarHBondContact O-N 2.93Å |
| 725 | Q | 87.3 | Confident | 76.6 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.5 | 175.7 | -176.7 | 167.7 | 66.1 | 0 | 0 | 110.2 | T710 L711 D712 | T710-Q725 HydrophobicContact CG2-CG 3.73Å; T710-Q725 VanDerWaalsContact CG2-NE2 3.34Å; L711-Q725 CarbonylContact O-C 3.56Å; L711-Q725 VanDerWaalsContact O-CA 3.32Å; L711-Q725 WeakPolarHBondContact O-CA 3.37Å; D712-Q725 VanDerWaalsContact OD1-CB 3.31Å; D712-Q725 WeakPolarHBondContact OD1-CB 3.37Å; D712-Q725 VanDerWaalsContact OD1-CD 3.28Å; D712-Q725 WeakPolarHBondContact OD1-CG 3.23Å; D712-Q725 PolarHBondContact OD1-NE2 2.8Å |
| 726 | M | 85.7 | Confident | 74.9 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 129.1 | 171.6 | -179.9 | 175.2 | -179.1 | 0 | 0 | 109 | L598 V600 L711 | L598-M726 HydrophobicContact CB-CB 4.39Å; L598-M726 HydrophobicContact CB-SD 4.02Å; L598-M726 HydrophobicContact CD1-CB 4.02Å; V600-M726 HydrophobicContact CB-CE 3.84Å; V600-M726 HydrophobicContact CG2-CE 3.48Å; V600-M726 VanDerWaalsContact CG2-CE 3.48Å; V600-M726 HydrophobicContact CG2-SD 3.63Å; L711-M726 WeakPolarHBondContact CB-O 3.49Å; L711-M726 PolarHBondContact N-O 2.79Å; L711-M726 PolarHBondContact O-N 3.36Å |
| 727 | T | 82.1 | Confident | 73.3 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.1 | 169.8 | -52.6 | 0 | 0 | 0 | 0 | 108.1 | N708 I709 T710 | N708-T727 HydrophobicContact CB-CG2 3.89Å; I709-T727 WeakPolarHBondContact O-CA 3.38Å; T710-T727 PolarHBondContact OG1-OG1 2.83Å |
| 728 | F | 77 | Confident | 72.2 | Confident | 12 Ų | 12 | 72 Ų | 72 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.2 | 172.5 | 78.9 | -82.9 | 0 | 0 | 0 | 110.5 | V600 T614 I701 I703 I709 L711 P730 | V600-F728 HydrophobicContact CG1-CD1 4.46Å; V600-F728 HydrophobicContact CG1-CD2 3.98Å; V600-F728 HydrophobicContact CG1-CE2 4.27Å; V600-F728 HydrophobicContact CG1-CG 4.07Å; V600-F728 HydrophobicContact CG2-CB 4.44Å; V600-F728 HydrophobicContact CG2-CD1 4Å; V600-F728 HydrophobicContact CG2-CG 4.18Å; T614-F728 HydrophobicContact CG2-CE2 4.19Å; T614-F728 HydrophobicContact CG2-CZ 3.89Å; I701-F728 HydrophobicContact CD1-CE1 4.45Å; I701-F728 HydrophobicContact CD1-CZ 4.45Å; I703-F728 HydrophobicContact CD1-CZ 4.26Å; I709-F728 HydrophobicContact CB-CD1 4.38Å; I709-F728 HydrophobicContact CB-CE1 3.88Å; I709-F728 HydrophobicContact CB-CZ 4.13Å; I709-F728 HydrophobicContact CD1-CZ 4.12Å; I709-F728 HydrophobicContact CG2-CE1 3.93Å; I709-F728 HydrophobicContact CG2-CZ 4.37Å; I709-F728 PolarHBondContact N-O 3.12Å; I709-F728 PolarHBondContact O-N 3Å; L711-F728 HydrophobicContact CD1-CD1 3.65Å; L711-F728 HydrophobicContact CD1-CE1 3.57Å; L711-F728 HydrophobicContact CD2-CE1 4.18Å; L711-F728 HydrophobicContact CG-CD1 4.06Å; L711-F728 HydrophobicContact CG-CE1 3.87Å; F728-P730 HydrophobicContact CE2-CB 4.38Å; F728-P730 HydrophobicContact CE2-CG 4.08Å |
| 729 | V | 70.5 | Confident | 71.7 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 122.6 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 107.3 | N602 N708 E731 | N602-V729 PolarHBondContact ND2-O 3.37Å; N708-V729 WeakPolarHBondContact OD1-CG2 3.34Å; V729-E731 PolarHBondContact O-N 3.04Å |
| 730 | P | 66.6 | Low | 71.3 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 124 | 177.9 | -17.9 | 29.7 | 0 | 0 | 0 | 110.7 | Y612 I703 T707 I709 F728 | Y612-P730 VanDerWaalsContact OH-C 3.24Å; Y612-P730 VanDerWaalsContact OH-CA 3.3Å; Y612-P730 WeakPolarHBondContact OH-CA 3.18Å; Y612-P730 WeakPolarHBondContact OH-CB 3.23Å; I703-P730 HydrophobicContact CD1-CB 4.34Å; I703-P730 HydrophobicContact CD1-CG 4.17Å; I703-P730 HydrophobicContact CG1-CB 4.42Å; I703-P730 HydrophobicContact CG2-CB 3.69Å; I703-P730 HydrophobicContact CG2-CG 4.02Å; T707-P730 VanDerWaalsContact O-CD 3.25Å; T707-P730 WeakPolarHBondContact O-CD 3.24Å; I709-P730 HydrophobicContact CD1-CG 3.76Å; I709-P730 HydrophobicContact CG1-CG 4.1Å; F728-P730 HydrophobicContact CE2-CB 4.38Å; F728-P730 HydrophobicContact CE2-CG 4.08Å |
| 731 | E | 56.2 | Low | 70.2 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 150.1 | 178.7 | -67.3 | -171.9 | 179.1 | 0 | 0 | 111.9 | N602 Y612 V729 | N602-E731 HydrophobicContact CB-CB 4.41Å; Y612-E731 PolarHBondContact OH-N 3.27Å; Y612-E731 VanDerWaalsContact OH-N 3.16Å; Y612-E731 PolarHBondContact OH-O 3.16Å; V729-E731 PolarHBondContact O-N 3.04Å |
| 732 | S | 59.5 | Low | 68.9 | Low | 28 Ų | 28 | 71.9 Ų | 71.9 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 149 | -171.7 | 54 | 0 | 0 | 0 | 0 | 114 | I605 N606 V607 | I605-S732 CarbonylContact C-O 3.41Å; N606-S732 WeakPolarHBondContact CA-OG 3.45Å; N606-S732 PolarHBondContact N-OG 2.88Å; V607-S732 PolarHBondContact N-OG 2.75Å; V607-S732 WeakPolarHBondContact O-CB 3.21Å |
| 733 | Y | 57.4 | Low | 67.7 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 11% | 0.114 | 38% | 0.384 | C | S | . | . | trans | -146.8 | 139.5 | 172.5 | -177.7 | -106.2 | 0 | 0 | 0 | 112.9 | P603 T609 P735 P736 R780 | P603-Y733 HydrophobicContact CB-CD2 4.21Å; P603-Y733 HydrophobicContact CB-CG 4.11Å; T609-Y733 PolarHBondContact OG1-O 3.24Å; Y733-P735 HydrophobicContact CE1-CB 3.83Å; Y733-P735 HydrophobicContact CE1-CG 4.42Å; Y733-P736 WeakPolarHBondContact OH-CD 3.46Å; Y733-R780 HydrophobicContact CE1-CB 3.76Å; Y733-R780 HydrophobicContact CE1-CG 4.35Å; Y733-R780 VanDerWaalsContact OH-CB 3.27Å; Y733-R780 WeakPolarHBondContact OH-CB 3.19Å | ||
| 734 | T | 56.1 | Low | 66.7 | Low | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | trans | -124.4 | 120.2 | 168.8 | -34 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 735 | P | 55.5 | Low | 65.8 | Low | 66 Ų | 66 | 67.8 Ų | 67.8 | 43% | 0.429 | 36% | 0.364 | S | S | . | . | trans | -66.6 | 138.5 | 178.4 | 24.2 | -31 | 0 | 0 | 0 | 111.7 | Y733 R780 | Y733-P735 HydrophobicContact CE1-CB 3.83Å; Y733-P735 HydrophobicContact CE1-CG 4.42Å; P735-R780 WeakPolarHBondContact CB-O 3.49Å | ||
| 736 | P | 55.1 | Low | 64.7 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -62.1 | 144.8 | 175.3 | 23.9 | -31.1 | 0 | 0 | 0 | 111.6 | Y733 Q781 | Y733-P736 WeakPolarHBondContact OH-CD 3.46Å; P736-Q781 PolarHBondContact O-NE2 2.8Å | ||
| 737 | L | 56.7 | Low | 63.8 | Low | 135 Ų | 135 | 65.2 Ų | 65.2 | 71% | 0.707 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -68.9 | -34.1 | -175.1 | -108.8 | 138.1 | 0 | 0 | 0 | 113.6 | ||
| 738 | E | 62 | Low | 63 | Low | 151 Ų | 151 | 64.2 Ų | 64.2 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -129.3 | 134.2 | 177.4 | -63.8 | -172.2 | 161.3 | 0 | 0 | 109.4 | E878 | E738-E878 WeakPolarHBondContact CA-OE1 3.37Å; E738-E878 WeakPolarHBondContact CB-OE1 3.33Å; E738-E878 WeakPolarHBondContact CG-OE1 3.49Å |
| 739 | L | 65.7 | Low | 62.4 | Low | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | trans | -79.9 | 134.5 | 174.4 | -62.2 | 175.8 | 0 | 0 | 0 | 109.6 | Q743 Q744 A779 Q781 E878 Y880 | L739-Q743 HydrophobicContact CB-CB 3.87Å; L739-Q743 HydrophobicContact CD2-CB 4.15Å; L739-Q743 HydrophobicContact CG-CB 4.49Å; L739-Q744 HydrophobicContact CB-CG 4.39Å; L739-A779 HydrophobicContact CD1-CB 3.98Å; L739-A779 HydrophobicContact CD2-CB 3.72Å; L739-A779 HydrophobicContact CG-CB 4.48Å; L739-Q781 HydrophobicContact CD2-CG 4.29Å; L739-E878 PolarHBondContact N-OE2 3.45Å; L739-Y880 WeakPolarHBondContact CB-OH 3.32Å; L739-Y880 HydrophobicContact CD1-CE2 4.37Å | ||
| 740 | S | 64.1 | Low | 62.1 | Low | 51 Ų | 51 | 62.5 Ų | 62.5 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | trans | -62.9 | 159.1 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 111 | D742 Q743 Q744 | S740-D742 VanDerWaalsContact CB-OD1 3.24Å; S740-D742 WeakPolarHBondContact CB-OD1 3.48Å; S740-D742 PolarHBondContact O-N 3.29Å; S740-D742 PolarHBondContact OG-OD1 3.36Å; S740-Q743 WeakPolarHBondContact O-CA 3.45Å; S740-Q743 WeakPolarHBondContact O-CB 3.44Å; S740-Q743 PolarHBondContact O-N 3.12Å; S740-Q743 VanDerWaalsContact OG-CG 3.24Å; S740-Q743 WeakPolarHBondContact OG-CG 3.27Å; S740-Q743 PolarHBondContact OG-OE1 3.01Å; S740-Q744 WeakPolarHBondContact O-CG 3.24Å; S740-Q744 PolarHBondContact O-N 3.28Å; S740-Q744 VanDerWaalsContact O-N 3.14Å | ||
| 741 | L | 61.2 | Low | 61.8 | Low | 152 Ų | 152 | 62.5 Ų | 62.5 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.8 | -175 | -151.1 | 93.4 | 0 | 0 | 0 | 113.6 | ||
| 742 | D | 58.9 | Low | 61.9 | Low | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.3 | 175.8 | 64.1 | -45 | 0 | 0 | 0 | 114.5 | S740 | S740-D742 VanDerWaalsContact CB-OD1 3.24Å; S740-D742 WeakPolarHBondContact CB-OD1 3.48Å; S740-D742 PolarHBondContact O-N 3.29Å; S740-D742 PolarHBondContact OG-OD1 3.36Å |
| 743 | Q | 63.7 | Low | 61.3 | Low | 31 Ų | 31 | 57.5 Ų | 57.5 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -18.2 | 175.2 | -70.7 | 177 | -12 | 0 | 0 | 113 | L739 S740 R778 A779 | L739-Q743 HydrophobicContact CB-CB 3.87Å; L739-Q743 HydrophobicContact CD2-CB 4.15Å; L739-Q743 HydrophobicContact CG-CB 4.49Å; S740-Q743 WeakPolarHBondContact O-CA 3.45Å; S740-Q743 WeakPolarHBondContact O-CB 3.44Å; S740-Q743 PolarHBondContact O-N 3.12Å; S740-Q743 VanDerWaalsContact OG-CG 3.24Å; S740-Q743 WeakPolarHBondContact OG-CG 3.27Å; S740-Q743 PolarHBondContact OG-OE1 3.01Å; Q743-R778 HydrophobicContact CG-CB 4.04Å; Q743-A779 HydrophobicContact CB-CB 4.06Å; Q743-A779 WeakPolarHBondContact O-CB 3.32Å |
| 744 | Q | 68.5 | Low | 60.5 | Low | 79 Ų | 79 | 57.1 Ų | 57.1 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -56.2 | 132.5 | -178.7 | -65 | -175 | -6 | 0 | 0 | 111.2 | L739 S740 Y880 | L739-Q744 HydrophobicContact CB-CG 4.39Å; S740-Q744 WeakPolarHBondContact O-CG 3.24Å; S740-Q744 PolarHBondContact O-N 3.28Å; S740-Q744 VanDerWaalsContact O-N 3.14Å; Q744-Y880 HydrophobicContact CB-CD1 4.48Å; Q744-Y880 HydrophobicContact CB-CE1 3.92Å; Q744-Y880 HydrophobicContact CG-CE1 3.61Å |
| 745 | P | 71.5 | Confident | 59.8 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.1 | 178.9 | 31.2 | -37.1 | 0 | 0 | 0 | 109.7 | V774 I775 Y783 L873 Y880 | P745-V774 WeakPolarHBondContact CA-O 3.27Å; P745-I775 HydrophobicContact CB-CG1 4.38Å; P745-Y783 HydrophobicContact CB-CE1 4.16Å; P745-Y783 HydrophobicContact CG-CE1 4Å; P745-L873 HydrophobicContact CB-CD1 4Å; P745-L873 HydrophobicContact CG-CB 4.41Å; P745-L873 HydrophobicContact CG-CD1 4.1Å; P745-Y880 HydrophobicContact CG-CD2 3.75Å; P745-Y880 HydrophobicContact CG-CE2 4Å; P745-Y880 HydrophobicContact CG-CG 4.16Å |
| 746 | F | 65.9 | Low | 59.1 | Low | 119 Ų | 119 | 56.2 Ų | 56.2 | 52% | 0.522 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.5 | 173.7 | 178.5 | -100.8 | 0 | 0 | 0 | 109.5 | L748 V773 V774 | F746-L748 HydrophobicContact CE1-CB 4.01Å; F746-L748 HydrophobicContact CE1-CD1 4.5Å; F746-L748 HydrophobicContact CZ-CB 4.5Å; F746-L748 HydrophobicContact CZ-CD1 4.28Å; F746-V773 CarbonylContact O-C 3.55Å; F746-V773 WeakPolarHBondContact O-CA 3.48Å; F746-V774 PolarHBondContact N-O 2.98Å; F746-V774 PolarHBondContact O-N 3.26Å |
| 747 | G | 66.3 | Low | 58.4 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S772 L882 F884 | G747-S772 CarbonylContact C-O 3.56Å; G747-S772 WeakPolarHBondContact CA-O 3.27Å; G747-L882 VanDerWaalsContact CA-CD1 3.49Å; G747-L882 VanDerWaalsContact N-CD1 3.31Å; G747-F884 WeakPolarHBondContact O-CZ 3.32Å |
| 748 | L | 64.5 | Low | 57.9 | Low | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.3 | 179.1 | -169.5 | 72.2 | 0 | 0 | 0 | 109.9 | F746 Q750 S772 F884 | F746-L748 HydrophobicContact CE1-CB 4.01Å; F746-L748 HydrophobicContact CE1-CD1 4.5Å; F746-L748 HydrophobicContact CZ-CB 4.5Å; F746-L748 HydrophobicContact CZ-CD1 4.28Å; L748-Q750 HydrophobicContact CD2-CG 3.86Å; L748-Q750 HydrophobicContact CG-CG 3.94Å; L748-S772 PolarHBondContact N-O 3.04Å; L748-S772 PolarHBondContact O-N 3.13Å; L748-F884 HydrophobicContact CD1-CE1 3.84Å; L748-F884 HydrophobicContact CD1-CZ 4.37Å |
| 749 | L | 64.7 | Low | 57.5 | Low | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.9 | 167.1 | -62 | -178 | 0 | 0 | 0 | 109.4 | I769 M770 A771 I787 L869 L871 F884 F886 | L749-I769 HydrophobicContact CB-CG2 4.04Å; L749-I769 HydrophobicContact CD2-CG2 4.1Å; L749-M770 WeakPolarHBondContact CA-O 3.41Å; L749-A771 HydrophobicContact CD2-CB 3.6Å; L749-I787 HydrophobicContact CD1-CG2 4.28Å; L749-I787 HydrophobicContact CD2-CD1 3.85Å; L749-I787 HydrophobicContact CD2-CG1 4.3Å; L749-L869 HydrophobicContact CD1-CB 3.76Å; L749-L869 HydrophobicContact CD1-CD1 4.33Å; L749-L871 HydrophobicContact CD1-CB 4.11Å; L749-L871 HydrophobicContact CD2-CB 4.35Å; L749-L871 HydrophobicContact CD2-CD2 4.34Å; L749-L871 HydrophobicContact CG-CB 4.08Å; L749-L871 HydrophobicContact CG-CD2 4.48Å; L749-F884 HydrophobicContact CB-CB 4.2Å; L749-F884 HydrophobicContact CB-CD1 4.15Å; L749-F884 HydrophobicContact CB-CD2 3.73Å; L749-F884 HydrophobicContact CB-CE2 4.16Å; L749-F884 HydrophobicContact CB-CG 3.74Å; L749-F884 HydrophobicContact CD1-CB 4.29Å; L749-F884 HydrophobicContact CD1-CD2 3.59Å; L749-F884 HydrophobicContact CD1-CE2 4.3Å; L749-F884 HydrophobicContact CD1-CG 4.15Å; L749-F884 HydrophobicContact CG-CD2 3.55Å; L749-F884 HydrophobicContact CG-CE2 3.86Å; L749-F884 HydrophobicContact CG-CG 4.09Å; L749-F886 HydrophobicContact CB-CE2 4.04Å; L749-F886 HydrophobicContact CB-CZ 3.92Å |
| 750 | Q | 63.7 | Low | 57.2 | Low | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.5 | 175.3 | -63.7 | -170.8 | -16 | 0 | 0 | 111.1 | L748 I769 M770 | L748-Q750 HydrophobicContact CD2-CG 3.86Å; L748-Q750 HydrophobicContact CG-CG 3.94Å; Q750-I769 CarbonylContact O-C 3.07Å; Q750-I769 VanDerWaalsContact O-CA 3.28Å; Q750-I769 WeakPolarHBondContact O-CA 3.33Å; Q750-I769 WeakPolarHBondContact O-CG2 3.33Å; Q750-M770 PolarHBondContact N-O 2.85Å; Q750-M770 PolarHBondContact O-N 3.33Å |
| 751 | S | 61.3 | Low | 57.4 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.6 | 172.4 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 752 | L | 57.3 | Low | 57.8 | Low | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -83.4 | -17.8 | -178.2 | -137 | 100.9 | 0 | 0 | 0 | 112.7 | T399 I754 I768 M770 M854 Y971 | T399-L752 WeakPolarHBondContact CB-O 3.42Å; T399-L752 HydrophobicContact CG2-CD2 4.23Å; T399-L752 HydrophobicContact CG2-CG 4.44Å; T399-L752 WeakPolarHBondContact CG2-O 3.4Å; T399-L752 PolarHBondContact OG1-O 2.82Å; L752-I754 VanDerWaalsContact C-N 3.3Å; L752-I754 PolarHBondContact O-N 2.95Å; L752-I768 HydrophobicContact CB-CB 3.9Å; L752-I768 HydrophobicContact CB-CG2 3.95Å; L752-I768 WeakPolarHBondContact CB-O 3.45Å; L752-I768 HydrophobicContact CD2-CG2 4.33Å; L752-I768 PolarHBondContact N-O 2.86Å; L752-M770 HydrophobicContact CD1-CB 3.49Å; L752-M770 VanDerWaalsContact CD1-CB 3.49Å; L752-M770 HydrophobicContact CD1-CG 4.3Å; L752-M770 HydrophobicContact CD1-SD 4.13Å; L752-M854 HydrophobicContact CD1-CG 4.45Å; L752-M854 HydrophobicContact CD2-CE 4.12Å; L752-M854 HydrophobicContact CD2-SD 4.34Å; L752-Y971 HydrophobicContact CD2-CE1 3.93Å | ||
| 753 | L | 48.2 | Very low | 58.1 | Low | 19 Ų | 19 | 43.9 Ų | 43.9 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | trans | -70 | 78.1 | 179 | -87.8 | 165.3 | 0 | 0 | 0 | 111.1 | S767 P1005 | L753-S767 VanDerWaalsContact CD1-OG 3.27Å; L753-S767 WeakPolarHBondContact CD1-OG 3.32Å; L753-P1005 HydrophobicContact CD2-CB 3.83Å | ||
| 754 | I | 40.4 | Very low | 58.2 | Low | 20 Ų | 20 | 47.1 Ų | 47.1 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | trans | -109.8 | 31.6 | -177.4 | -45.5 | 161.2 | 0 | 0 | 0 | 110.8 | T399 R400 L752 R756 | T399-I754 WeakPolarHBondContact OG1-CD1 3.39Å; R400-I754 VanDerWaalsContact CD-CD1 3.45Å; R400-I754 HydrophobicContact CG-CD1 3.66Å; L752-I754 VanDerWaalsContact C-N 3.3Å; L752-I754 PolarHBondContact O-N 2.95Å; I754-R756 PolarHBondContact O-N 3.17Å | ||
| 755 | S | 40.5 | Very low | 58.2 | Low | 73 Ų | 73 | 43.5 Ų | 43.5 | 51% | 0.51 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -67.3 | -10.3 | 155.9 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 756 | R | 41.9 | Very low | 58.2 | Low | 52 Ų | 52 | 43.1 Ų | 43.1 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -137.8 | 134.9 | 177.2 | -58.2 | -175.5 | 178.2 | 146.5 | -1.6 | 108.9 | I754 D758 Q892 T893 | I754-R756 PolarHBondContact O-N 3.17Å; R756-D758 PolarHBondContact O-N 2.99Å; R756-Q892 VanDerWaalsContact CZ-CB 3.48Å; R756-T893 PolarHBondContact NH2-OG1 2.97Å |
| 757 | A | 40.1 | Very low | 58.5 | Low | 88 Ų | 88 | 37.5 Ų | 37.5 | 73% | 0.727 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | 14.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 758 | D | 46.3 | Very low | 58.8 | Low | 76 Ų | 76 | 37.6 Ų | 37.6 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -6.9 | -146.7 | -45.5 | -11.4 | 0 | 0 | 0 | 112.3 | R756 Y760 | R756-D758 PolarHBondContact O-N 2.99Å; D758-Y760 HydrophobicContact CB-CD2 3.31Å; D758-Y760 HydrophobicContact CB-CE2 3.75Å; D758-Y760 HydrophobicContact CB-CG 4.46Å; D758-Y760 WeakPolarHBondContact O-CD2 3.33Å; D758-Y760 WeakPolarHBondContact O-CE2 3.46Å; D758-Y760 PolarHBondContact O-N 2.96Å |
| 759 | N | 53.3 | Low | 59.2 | Low | 88 Ų | 88 | 35.3 Ų | 35.3 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | trans | 55 | 14.2 | -174 | -82.4 | -7.5 | 0 | 0 | 0 | 114.6 | ||||
| 760 | Y | 59.9 | Low | 59.4 | Low | 94 Ų | 94 | 36.2 Ų | 36.2 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | trans | -82 | 149.6 | 177 | -68.1 | -99.9 | 0 | 0 | 0 | 111.3 | D758 N887 I888 | D758-Y760 HydrophobicContact CB-CD2 3.31Å; D758-Y760 HydrophobicContact CB-CE2 3.75Å; D758-Y760 HydrophobicContact CB-CG 4.46Å; D758-Y760 WeakPolarHBondContact O-CD2 3.33Å; D758-Y760 WeakPolarHBondContact O-CE2 3.46Å; D758-Y760 PolarHBondContact O-N 2.96Å; Y760-N887 CarbonylContact C-O 3.57Å; Y760-N887 WeakPolarHBondContact CA-O 3.46Å; Y760-N887 WeakPolarHBondContact CB-O 3.35Å; Y760-N887 VanDerWaalsContact CD1-C 3.49Å; Y760-N887 HydrophobicContact CD1-CB 3.34Å; Y760-N887 WeakPolarHBondContact CD1-O 3.31Å; Y760-N887 HydrophobicContact CE1-CB 3.27Å; Y760-N887 HydrophobicContact CG-CB 4.27Å; Y760-I888 VanDerWaalsContact CD1-C 3.5Å | ||
| 761 | L | 68.3 | Low | 59.8 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 150.6 | 160 | -60.5 | 169.4 | 0 | 0 | 0 | 107.9 | I769 L857 V859 I867 F886 N887 I888 G889 | L761-I769 HydrophobicContact CD1-CD1 4.39Å; L761-I769 HydrophobicContact CD2-CD1 4.44Å; L761-I769 HydrophobicContact CD2-CG1 4.35Å; L761-L857 HydrophobicContact CD1-CD1 4.37Å; L761-V859 HydrophobicContact CB-CG2 4.15Å; L761-V859 HydrophobicContact CD1-CG2 4.46Å; L761-I867 HydrophobicContact CD1-CB 4.36Å; L761-I867 HydrophobicContact CD1-CD1 3.77Å; L761-F886 HydrophobicContact CD1-CB 3.41Å; L761-F886 VanDerWaalsContact CD1-CB 3.41Å; L761-F886 HydrophobicContact CD1-CD1 4.3Å; L761-F886 HydrophobicContact CD1-CD2 4.43Å; L761-F886 HydrophobicContact CD1-CG 3.81Å; L761-F886 HydrophobicContact CG-CB 3.85Å; L761-F886 HydrophobicContact CG-CD1 4.25Å; L761-F886 HydrophobicContact CG-CG 4.21Å; L761-N887 PolarHBondContact N-O 3.5Å; L761-I888 HydrophobicContact CB-CD1 3.77Å; L761-I888 CarbonylContact O-C 3.57Å; L761-I888 VanDerWaalsContact O-CA 3.27Å; L761-I888 WeakPolarHBondContact O-CA 3.44Å; L761-G889 PolarHBondContact O-N 2.8Å |
| 762 | H | 68.1 | Low | 59.9 | Low | 17 Ų | 17 | 34.8 Ų | 34.8 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | trans | -113.2 | 136.9 | -177.9 | -60.1 | -71.9 | 0 | 0 | 0 | 111 | S765 G889 P890 L891 | H762-S765 VanDerWaalsContact CB-OG 3.31Å; H762-S765 WeakPolarHBondContact CB-OG 3.41Å; H762-S765 PolarHBondContact O-N 2.83Å; H762-S765 PolarHBondContact O-OG 3.3Å; H762-G889 PolarHBondContact ND1-O 2.85Å; H762-P890 PolarHBondContact CE1-O 3.24Å; H762-P890 PolarHBondContact ND1-O 2.75Å; H762-L891 HydrophobicContact CB-CD1 3.7Å | ||
| 763 | P | 66.1 | Low | 60.4 | Low | 41 Ų | 41 | 34.4 Ų | 34.4 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 146.6 | 177 | 27.3 | -25.3 | 0 | 0 | 0 | 110.2 | S765 I888 G889 | P763-S765 PolarHBondContact O-N 2.91Å; P763-I888 HydrophobicContact CB-CG2 4.35Å; P763-I888 HydrophobicContact CG-CG2 3.94Å; P763-G889 VanDerWaalsContact CD-O 3.3Å; P763-G889 WeakPolarHBondContact CD-O 3.19Å |
| 764 | D | 66.6 | Low | 61.1 | Low | 99 Ų | 99 | 35.9 Ų | 35.9 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 28.8 | -174.9 | -62.1 | -24.9 | 0 | 0 | 0 | 114.3 | V859 S861 | D764-V859 WeakPolarHBondContact CA-O 3.18Å; D764-V859 PolarHBondContact N-O 3.01Å; D764-S861 WeakPolarHBondContact OD1-CB 3.3Å; D764-S861 PolarHBondContact OD1-N 2.75Å; D764-S861 WeakPolarHBondContact OD2-CB 3.37Å |
| 765 | S | 66.6 | Low | 62.2 | Low | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 150.1 | 178.3 | 81.5 | 0 | 0 | 0 | 0 | 112.1 | H762 P763 S767 N858 P939 | H762-S765 VanDerWaalsContact CB-OG 3.31Å; H762-S765 WeakPolarHBondContact CB-OG 3.41Å; H762-S765 PolarHBondContact O-N 2.83Å; H762-S765 PolarHBondContact O-OG 3.3Å; P763-S765 PolarHBondContact O-N 2.91Å; S765-S767 PolarHBondContact O-N 2.77Å; S765-S767 PolarHBondContact OG-OG 3.16Å; S765-N858 PolarHBondContact O-OD1 2.81Å; S765-P939 WeakPolarHBondContact CA-O 3.23Å |
| 766 | F | 72.1 | Confident | 63.2 | Low | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110 | 171.2 | -174.5 | -106.1 | 0 | 0 | 0 | 109.9 | I768 F799 P856 P939 C941 W973 C1003 | F766-I768 HydrophobicContact CE1-CD1 4.49Å; F766-I768 HydrophobicContact CE1-CG1 4.16Å; F766-F799 HydrophobicContact CD2-CD2 4.5Å; F766-F799 HydrophobicContact CD2-CE2 4.12Å; F766-F799 AromaticContact CE2-CD2 3.78Å; F766-F799 HydrophobicContact CE2-CD2 3.78Å; F766-F799 AromaticContact CE2-CE2 3.82Å; F766-F799 HydrophobicContact CE2-CE2 3.82Å; F766-F799 HydrophobicContact CE2-CG 4.35Å; F766-F799 HydrophobicContact CE2-CZ 4.4Å; F766-P856 HydrophobicContact CE1-CB 4.16Å; F766-P856 HydrophobicContact CE2-CB 3.62Å; F766-P856 HydrophobicContact CZ-CB 3.26Å; F766-P856 HydrophobicContact CZ-CG 4.4Å; F766-P939 PolarHBondContact N-O 2.91Å; F766-C941 WeakPolarHBondContact CD2-SG 3.3Å; F766-W973 HydrophobicContact CE1-CD2 4.16Å; F766-W973 AromaticContact CE1-CE3 3.3Å; F766-W973 HydrophobicContact CE1-CE3 3.3Å; F766-W973 HydrophobicContact CE1-CH2 4.41Å; F766-W973 AromaticContact CE1-CZ3 3.47Å; F766-W973 HydrophobicContact CE1-CZ3 3.47Å; F766-W973 VanDerWaalsContact CE1-CZ3 3.47Å; F766-W973 HydrophobicContact CZ-CB 4.25Å; F766-W973 AromaticContact CZ-CD2 3.69Å; F766-W973 HydrophobicContact CZ-CD2 3.69Å; F766-W973 AromaticContact CZ-CE3 3.32Å; F766-W973 HydrophobicContact CZ-CE3 3.32Å; F766-W973 HydrophobicContact CZ-CG 4.1Å; F766-W973 AromaticContact CZ-CZ3 3.81Å; F766-W973 HydrophobicContact CZ-CZ3 3.81Å; F766-C1003 HydrophobicContact CD1-CB 4.13Å; F766-C1003 HydrophobicContact CD2-CB 3.48Å; F766-C1003 VanDerWaalsContact CD2-CB 3.48Å; F766-C1003 HydrophobicContact CE1-CB 4.05Å; F766-C1003 HydrophobicContact CE2-CB 3.36Å; F766-C1003 HydrophobicContact CG-CB 3.81Å; F766-C1003 HydrophobicContact CZ-CB 3.65Å |
| 767 | S | 72.9 | Confident | 63.8 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 150.9 | -177.8 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | L753 S765 P856 L857 | L753-S767 VanDerWaalsContact CD1-OG 3.27Å; L753-S767 WeakPolarHBondContact CD1-OG 3.32Å; S765-S767 PolarHBondContact O-N 2.77Å; S765-S767 PolarHBondContact OG-OG 3.16Å; S767-P856 CarbonylContact O-C 3.59Å; S767-P856 WeakPolarHBondContact O-CA 3.31Å; S767-L857 PolarHBondContact N-O 2.84Å; S767-L857 PolarHBondContact O-N 2.9Å |
| 768 | I | 71.6 | Confident | 64.6 | Low | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.1 | 176.9 | -57 | 163.5 | 0 | 0 | 0 | 107.3 | L752 F766 M854 Y971 W973 P1005 | L752-I768 HydrophobicContact CB-CB 3.9Å; L752-I768 HydrophobicContact CB-CG2 3.95Å; L752-I768 WeakPolarHBondContact CB-O 3.45Å; L752-I768 HydrophobicContact CD2-CG2 4.33Å; L752-I768 PolarHBondContact N-O 2.86Å; F766-I768 HydrophobicContact CE1-CD1 4.49Å; F766-I768 HydrophobicContact CE1-CG1 4.16Å; I768-M854 HydrophobicContact CD1-CE 3.98Å; I768-M854 HydrophobicContact CG2-CB 4.02Å; I768-M854 HydrophobicContact CG2-CE 3.88Å; I768-M854 HydrophobicContact CG2-CG 4.05Å; I768-Y971 HydrophobicContact CD1-CD1 4.05Å; I768-W973 HydrophobicContact CD1-CH2 3.64Å; I768-W973 HydrophobicContact CD1-CZ3 3.59Å; I768-W973 HydrophobicContact CG1-CH2 3.85Å; I768-W973 HydrophobicContact CG1-CZ3 3.98Å; I768-W973 HydrophobicContact CG2-CH2 4.42Å; I768-P1005 HydrophobicContact CD1-CB 4.27Å; I768-P1005 HydrophobicContact CD1-CG 3.84Å |
| 769 | I | 74 | Confident | 65.3 | Low | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.7 | 169.2 | -67.6 | -177.8 | 0 | 0 | 0 | 108.4 | L749 Q750 L761 I855 L857 L869 F886 | L749-I769 HydrophobicContact CB-CG2 4.04Å; L749-I769 HydrophobicContact CD2-CG2 4.1Å; Q750-I769 CarbonylContact O-C 3.07Å; Q750-I769 VanDerWaalsContact O-CA 3.28Å; Q750-I769 WeakPolarHBondContact O-CA 3.33Å; Q750-I769 WeakPolarHBondContact O-CG2 3.33Å; L761-I769 HydrophobicContact CD1-CD1 4.39Å; L761-I769 HydrophobicContact CD2-CD1 4.44Å; L761-I769 HydrophobicContact CD2-CG1 4.35Å; I769-I855 PolarHBondContact N-O 3.43Å; I769-I855 PolarHBondContact O-N 3.25Å; I769-L857 HydrophobicContact CB-CD2 4.21Å; I769-L857 HydrophobicContact CD1-CD2 3.17Å; I769-L857 HydrophobicContact CG1-CD2 3.47Å; I769-L857 VanDerWaalsContact CG1-CD2 3.47Å; I769-L869 HydrophobicContact CD1-CD1 3.1Å; I769-F886 HydrophobicContact CD1-CD2 4.22Å; I769-F886 HydrophobicContact CD1-CE1 4.42Å; I769-F886 HydrophobicContact CD1-CE2 3.89Å; I769-F886 HydrophobicContact CD1-CZ 3.99Å; I769-F886 HydrophobicContact CG1-CZ 4.48Å; I769-F886 HydrophobicContact CG2-CZ 4.37Å |
| 770 | M | 68.6 | Low | 65.7 | Low | 25 Ų | 25 | 25.8 Ų | 25.8 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.3 | 167.2 | 179.6 | 172.5 | 65.8 | 0 | 0 | 109.2 | L749 Q750 L752 L804 I853 | L749-M770 WeakPolarHBondContact CA-O 3.41Å; Q750-M770 PolarHBondContact N-O 2.85Å; Q750-M770 PolarHBondContact O-N 3.33Å; L752-M770 HydrophobicContact CD1-CB 3.49Å; L752-M770 VanDerWaalsContact CD1-CB 3.49Å; L752-M770 HydrophobicContact CD1-CG 4.3Å; L752-M770 HydrophobicContact CD1-SD 4.13Å; M770-L804 HydrophobicContact SD-CD1 4.44Å; M770-I853 WeakPolarHBondContact CA-O 3.38Å |
| 771 | A | 71.9 | Confident | 65.9 | Low | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L749 M785 I787 N852 I853 I855 | L749-A771 HydrophobicContact CD2-CB 3.6Å; A771-M785 HydrophobicContact CB-CE 3.99Å; A771-M785 HydrophobicContact CB-SD 4.17Å; A771-I787 HydrophobicContact CB-CD1 3.74Å; A771-N852 WeakPolarHBondContact O-CA 3.3Å; A771-I853 PolarHBondContact N-O 2.92Å; A771-I853 PolarHBondContact O-N 3.46Å; A771-I855 HydrophobicContact CB-CD1 3.83Å |
| 772 | S | 63.5 | Low | 65.9 | Low | 19 Ų | 19 | 30.1 Ų | 30.1 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.1 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 108.3 | G747 L748 I851 N852 | G747-S772 CarbonylContact C-O 3.56Å; G747-S772 WeakPolarHBondContact CA-O 3.27Å; L748-S772 PolarHBondContact N-O 3.04Å; L748-S772 PolarHBondContact O-N 3.13Å; S772-I851 CarbonylContact C-O 3.56Å; S772-I851 WeakPolarHBondContact CA-O 3.17Å; S772-N852 VanDerWaalsContact CB-OD1 3.23Å; S772-N852 WeakPolarHBondContact CB-OD1 3.26Å; S772-N852 PolarHBondContact OG-OD1 3.48Å |
| 773 | V | 68.7 | Low | 66.2 | Low | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.3 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | F746 I775 M785 S850 I851 L873 | F746-V773 CarbonylContact O-C 3.55Å; F746-V773 WeakPolarHBondContact O-CA 3.48Å; V773-I775 HydrophobicContact CG1-CD1 4.3Å; V773-I775 HydrophobicContact CG1-CG1 3.89Å; V773-M785 HydrophobicContact CG2-SD 3.91Å; V773-S850 CarbonylContact O-C 3.57Å; V773-S850 VanDerWaalsContact O-CA 3.27Å; V773-S850 WeakPolarHBondContact O-CA 3.5Å; V773-I851 HydrophobicContact CB-CB 4.48Å; V773-I851 PolarHBondContact N-O 2.95Å; V773-I851 PolarHBondContact O-N 3.36Å; V773-L873 HydrophobicContact CB-CD2 4.39Å; V773-L873 HydrophobicContact CG1-CD1 3.79Å; V773-L873 HydrophobicContact CG1-CD2 3.82Å; V773-L873 HydrophobicContact CG1-CG 4.46Å; V773-L873 HydrophobicContact CG2-CD2 3.6Å |
| 774 | V | 62.2 | Low | 66.7 | Low | 50 Ų | 50 | 29.4 Ų | 29.4 | 30% | 0.303 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.3 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | P745 F746 P848 T849 | P745-V774 WeakPolarHBondContact CA-O 3.27Å; F746-V774 PolarHBondContact N-O 2.98Å; F746-V774 PolarHBondContact O-N 3.26Å; V774-P848 HydrophobicContact CG1-CB 3.76Å; V774-T849 WeakPolarHBondContact CA-O 3.5Å |
| 775 | I | 64.2 | Low | 67.5 | Low | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.5 | -176.4 | -50.2 | -177.6 | 0 | 0 | 0 | 109.2 | P745 V773 A779 Y783 M810 Q831 P848 T849 I851 | P745-I775 HydrophobicContact CB-CG1 4.38Å; V773-I775 HydrophobicContact CG1-CD1 4.3Å; V773-I775 HydrophobicContact CG1-CG1 3.89Å; I775-A779 HydrophobicContact CG2-CB 4.31Å; I775-Y783 HydrophobicContact CD1-CD1 4Å; I775-Y783 HydrophobicContact CD1-CD2 3.62Å; I775-Y783 HydrophobicContact CD1-CE1 4.32Å; I775-Y783 HydrophobicContact CD1-CE2 3.96Å; I775-Y783 HydrophobicContact CD1-CG 3.62Å; I775-Y783 HydrophobicContact CG2-CD2 4.21Å; I775-Y783 HydrophobicContact CG2-CE1 4.1Å; I775-Y783 HydrophobicContact CG2-CE2 3.45Å; I775-Y783 VanDerWaalsContact CG2-CE2 3.45Å; I775-Y783 WeakPolarHBondContact CG2-OH 3.3Å; I775-M810 HydrophobicContact CD1-SD 3.98Å; I775-Q831 PolarHBondContact O-NE2 2.87Å; I775-P848 CarbonylContact O-C 3.57Å; I775-P848 WeakPolarHBondContact O-CA 3.38Å; I775-P848 WeakPolarHBondContact O-CB 3.31Å; I775-T849 PolarHBondContact N-O 2.64Å; I775-T849 PolarHBondContact O-N 2.47Å; I775-I851 HydrophobicContact CD1-CD1 3.43Å; I775-I851 VanDerWaalsContact CD1-CD1 3.43Å; I775-I851 HydrophobicContact CG1-CD1 3.99Å |
| 776 | S | 61.3 | Low | 68.3 | Low | 22 Ų | 22 | 26.2 Ų | 26.2 | 15% | 0.154 | 12% | 0.122 | C | C | . | . | trans | -60.6 | 140.2 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | R778 A779 Q831 | S776-R778 PolarHBondContact O-N 3.38Å; S776-R778 VanDerWaalsContact O-N 3.12Å; S776-A779 WeakPolarHBondContact O-CB 3.38Å; S776-A779 PolarHBondContact O-N 2.96Å; S776-Q831 PolarHBondContact O-NE2 3.39Å; S776-Q831 PolarHBondContact O-OE1 2.91Å; S776-Q831 VanDerWaalsContact O-OE1 3.07Å | ||
| 777 | P | 54.2 | Low | 68.9 | Low | 14 Ų | 14 | 26.2 Ų | 26.2 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.4 | -179.9 | 26.3 | -34.1 | 0 | 0 | 0 | 112.8 | A779 S846 E847 | P777-A779 VanDerWaalsContact C-N 3.33Å; P777-S846 VanDerWaalsContact CG-C 3.4Å; P777-S846 WeakPolarHBondContact CG-O 3.22Å; P777-E847 WeakPolarHBondContact CB-O 3.44Å |
| 778 | R | 56.2 | Low | 69.5 | Low | 137 Ų | 137 | 28.4 Ų | 28.4 | 52% | 0.517 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -2.9 | 178.3 | -64 | 180 | 177 | 169.6 | -3.6 | 112.9 | Q743 S776 R780 | Q743-R778 HydrophobicContact CG-CB 4.04Å; S776-R778 PolarHBondContact O-N 3.38Å; S776-R778 VanDerWaalsContact O-N 3.12Å; R778-R780 PolarHBondContact O-N 2.96Å |
| 779 | A | 62.1 | Low | 70.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -98.3 | 50.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L739 Q743 I775 S776 P777 Q781 Y783 Q831 | L739-A779 HydrophobicContact CD1-CB 3.98Å; L739-A779 HydrophobicContact CD2-CB 3.72Å; L739-A779 HydrophobicContact CG-CB 4.48Å; Q743-A779 HydrophobicContact CB-CB 4.06Å; Q743-A779 WeakPolarHBondContact O-CB 3.32Å; I775-A779 HydrophobicContact CG2-CB 4.31Å; S776-A779 WeakPolarHBondContact O-CB 3.38Å; S776-A779 PolarHBondContact O-N 2.96Å; P777-A779 VanDerWaalsContact C-N 3.33Å; A779-Q781 PolarHBondContact O-N 3.01Å; A779-Y783 VanDerWaalsContact CB-OH 3.23Å; A779-Y783 WeakPolarHBondContact CB-OH 3.16Å; A779-Y783 VanDerWaalsContact O-CE2 3.3Å; A779-Y783 WeakPolarHBondContact O-CE2 3.13Å; A779-Y783 PolarHBondContact O-OH 3.15Å; A779-Q831 PolarHBondContact O-OE1 3.48Å | ||
| 780 | R | 61.1 | Low | 70.2 | Confident | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | trans | -61.8 | 101.4 | -177.9 | -79.3 | 179.5 | 164.6 | 153.2 | -3.9 | 111.9 | Y733 P735 R778 Q832 F833 E834 | Y733-R780 HydrophobicContact CE1-CB 3.76Å; Y733-R780 HydrophobicContact CE1-CG 4.35Å; Y733-R780 VanDerWaalsContact OH-CB 3.27Å; Y733-R780 WeakPolarHBondContact OH-CB 3.19Å; P735-R780 WeakPolarHBondContact CB-O 3.49Å; R778-R780 PolarHBondContact O-N 2.96Å; R780-Q832 PolarHBondContact NE-O 2.83Å; R780-Q832 VanDerWaalsContact NE-O 3.13Å; R780-Q832 PolarHBondContact NH2-O 3.27Å; R780-F833 WeakPolarHBondContact CG-O 3.29Å; R780-F833 VanDerWaalsContact NE-C 3.31Å; R780-F833 PolarHBondContact NE-O 3.26Å; R780-E834 VanDerWaalsContact CZ-N 3.31Å; R780-E834 VanDerWaalsContact NH1-CB 3.26Å; R780-E834 IonicContact NH1-OE2 3.59Å; R780-E834 PolarHBondContact NH1-OE2 3.02Å | ||
| 781 | Q | 64.5 | Low | 70.6 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -146.3 | 168.3 | 174.6 | -66.7 | -174.9 | -13.2 | 0 | 0 | 110.4 | P736 L739 A779 Y783 Q831 G875 | P736-Q781 PolarHBondContact O-NE2 2.8Å; L739-Q781 HydrophobicContact CD2-CG 4.29Å; A779-Q781 PolarHBondContact O-N 3.01Å; Q781-Y783 HydrophobicContact CB-CE2 3.92Å; Q781-Y783 WeakPolarHBondContact O-CD2 3.28Å; Q781-Y783 WeakPolarHBondContact O-CE2 3.32Å; Q781-Q831 PolarHBondContact O-N 3.35Å; Q781-G875 PolarHBondContact OE1-O 3.35Å |
| 782 | R | 68.4 | Low | 70.5 | Confident | 174 Ų | 174 | 41 Ų | 41 | 66% | 0.657 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 120.2 | 165.2 | -175.2 | 170.5 | -179.4 | 178.1 | 0 | 108.3 | N830 G876 | R782-N830 WeakPolarHBondContact CA-OD1 3.31Å; R782-N830 WeakPolarHBondContact CB-OD1 3.23Å; R782-N830 VanDerWaalsContact CG-OD1 3.26Å; R782-N830 WeakPolarHBondContact CG-OD1 2.85Å; R782-G876 PolarHBondContact O-N 3.41Å |
| 783 | Y | 74.1 | Confident | 70.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.4 | -179.8 | -68.3 | -82.3 | 0 | 0 | 0 | 112 | P745 I775 A779 Q781 M810 I828 G829 Q831 F874 | P745-Y783 HydrophobicContact CB-CE1 4.16Å; P745-Y783 HydrophobicContact CG-CE1 4Å; I775-Y783 HydrophobicContact CD1-CD1 4Å; I775-Y783 HydrophobicContact CD1-CD2 3.62Å; I775-Y783 HydrophobicContact CD1-CE1 4.32Å; I775-Y783 HydrophobicContact CD1-CE2 3.96Å; I775-Y783 HydrophobicContact CD1-CG 3.62Å; I775-Y783 HydrophobicContact CG2-CD2 4.21Å; I775-Y783 HydrophobicContact CG2-CE1 4.1Å; I775-Y783 HydrophobicContact CG2-CE2 3.45Å; I775-Y783 VanDerWaalsContact CG2-CE2 3.45Å; I775-Y783 WeakPolarHBondContact CG2-OH 3.3Å; A779-Y783 VanDerWaalsContact CB-OH 3.23Å; A779-Y783 WeakPolarHBondContact CB-OH 3.16Å; A779-Y783 VanDerWaalsContact O-CE2 3.3Å; A779-Y783 WeakPolarHBondContact O-CE2 3.13Å; A779-Y783 PolarHBondContact O-OH 3.15Å; Q781-Y783 HydrophobicContact CB-CE2 3.92Å; Q781-Y783 WeakPolarHBondContact O-CD2 3.28Å; Q781-Y783 WeakPolarHBondContact O-CE2 3.32Å; Y783-M810 HydrophobicContact CD2-CE 4.3Å; Y783-I828 WeakPolarHBondContact O-CB 3.18Å; Y783-I828 PolarHBondContact O-N 2.88Å; Y783-G829 PolarHBondContact N-O 3.13Å; Y783-G829 PolarHBondContact O-N 3.46Å; Y783-G829 VanDerWaalsContact O-N 3.12Å; Y783-Q831 HydrophobicContact CE2-CB 4.22Å; Y783-F874 VanDerWaalsContact CA-O 3.26Å; Y783-F874 WeakPolarHBondContact CA-O 3.44Å |
| 784 | S | 76.6 | Confident | 70.6 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.2 | 161.6 | 59.4 | 0 | 0 | 0 | 0 | 108.7 | V826 F874 | S784-V826 CarbonylContact C-O 3.57Å; S784-V826 WeakPolarHBondContact CA-O 2.91Å; S784-F874 PolarHBondContact N-O 3.15Å; S784-F874 PolarHBondContact O-N 3.2Å; S784-F874 WeakPolarHBondContact OG-CB 3.26Å; S784-F874 WeakPolarHBondContact OG-CD2 3.49Å |
| 785 | M | 81.9 | Confident | 71.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.2 | 173.3 | 68.7 | 171.4 | -156.6 | 0 | 0 | 110.6 | A771 V773 I787 V826 I828 I853 I855 L871 I872 L873 | A771-M785 HydrophobicContact CB-CE 3.99Å; A771-M785 HydrophobicContact CB-SD 4.17Å; V773-M785 HydrophobicContact CG2-SD 3.91Å; M785-I787 HydrophobicContact CE-CD1 4.11Å; M785-V826 HydrophobicContact CE-CB 3.75Å; M785-V826 HydrophobicContact CE-CG1 4.36Å; M785-V826 HydrophobicContact CE-CG2 3.4Å; M785-V826 HydrophobicContact CG-CB 3.69Å; M785-V826 HydrophobicContact CG-CG2 4.25Å; M785-V826 PolarHBondContact N-O 2.95Å; M785-V826 PolarHBondContact O-N 3.33Å; M785-I828 HydrophobicContact CB-CD1 4.16Å; M785-I828 HydrophobicContact CG-CD1 4.03Å; M785-I828 HydrophobicContact CG-CG1 4.33Å; M785-I828 HydrophobicContact SD-CD1 4.4Å; M785-I853 HydrophobicContact CE-CB 3.95Å; M785-I853 HydrophobicContact CE-CD1 3.24Å; M785-I853 HydrophobicContact CE-CG1 4.17Å; M785-I853 HydrophobicContact CE-CG2 4.05Å; M785-I853 HydrophobicContact SD-CD1 3.99Å; M785-I855 HydrophobicContact CE-CD1 4.17Å; M785-L871 HydrophobicContact CB-CD1 4.13Å; M785-L871 HydrophobicContact SD-CD1 4.14Å; M785-I872 CarbonylContact C-O 3.59Å; M785-I872 VanDerWaalsContact CA-O 3.24Å; M785-I872 WeakPolarHBondContact CA-O 3.44Å; M785-L873 HydrophobicContact CB-CD2 3.55Å |
| 786 | K | 84.7 | Confident | 71.9 | Confident | 33 Ų | 33 | 50 Ų | 50 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.6 | 174.3 | 178.4 | -164.4 | -174.3 | -166.2 | 0 | 107.6 | E788 T823 V824 Y825 I872 F874 | K786-E788 VanDerWaalsContact CE-OE2 3.23Å; K786-E788 WeakPolarHBondContact CE-OE2 3.33Å; K786-E788 IonicContact NZ-OE2 2.71Å; K786-E788 PolarHBondContact NZ-OE2 2.77Å; K786-T823 HydrophobicContact CD-CG2 3.86Å; K786-T823 HydrophobicContact CG-CG2 3.31Å; K786-V824 CarbonylContact C-O 3.53Å; K786-V824 VanDerWaalsContact CA-O 3.29Å; K786-V824 WeakPolarHBondContact CA-O 3.3Å; K786-Y825 HydrophobicContact CB-CD1 3.88Å; K786-Y825 HydrophobicContact CB-CE1 3.77Å; K786-Y825 HydrophobicContact CD-CD1 4.47Å; K786-Y825 HydrophobicContact CD-CE1 3.62Å; K786-Y825 HydrophobicContact CD-CE2 4.25Å; K786-Y825 VanDerWaalsContact CD-CZ 3.49Å; K786-Y825 WeakPolarHBondContact CD-OH 3.44Å; K786-Y825 VanDerWaalsContact CE-CZ 3.43Å; K786-Y825 WeakPolarHBondContact CE-OH 3.19Å; K786-Y825 HydrophobicContact CG-CD1 3.94Å; K786-Y825 HydrophobicContact CG-CD2 4.47Å; K786-Y825 HydrophobicContact CG-CE1 3.57Å; K786-Y825 HydrophobicContact CG-CE2 4.15Å; K786-Y825 HydrophobicContact CG-CG 4.38Å; K786-Y825 PolarHBondContact NZ-OH 3.27Å; K786-I872 HydrophobicContact CB-CB 4.2Å; K786-I872 HydrophobicContact CD-CD1 4.13Å; K786-I872 PolarHBondContact N-O 2.62Å; K786-I872 PolarHBondContact O-N 3.23Å; K786-F874 HydrophobicContact CB-CE2 3.76Å |
| 787 | I | 84.1 | Confident | 72.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.2 | 171.9 | -67.9 | 155.5 | 0 | 0 | 0 | 107.7 | L749 A771 M785 F798 T823 V824 I855 K870 L871 | L749-I787 HydrophobicContact CD1-CG2 4.28Å; L749-I787 HydrophobicContact CD2-CD1 3.85Å; L749-I787 HydrophobicContact CD2-CG1 4.3Å; A771-I787 HydrophobicContact CB-CD1 3.74Å; M785-I787 HydrophobicContact CE-CD1 4.11Å; I787-F798 HydrophobicContact CG2-CE1 4.48Å; I787-F798 HydrophobicContact CG2-CZ 4.15Å; I787-T823 CarbonylContact O-C 3.51Å; I787-T823 VanDerWaalsContact O-CA 3.28Å; I787-T823 WeakPolarHBondContact O-CA 3.49Å; I787-V824 HydrophobicContact CB-CB 4.39Å; I787-V824 PolarHBondContact N-O 3.01Å; I787-V824 PolarHBondContact O-N 3.3Å; I787-I855 HydrophobicContact CD1-CD1 3Å; I787-I855 HydrophobicContact CG1-CD1 4.39Å; I787-K870 WeakPolarHBondContact CA-O 3.49Å; I787-L871 HydrophobicContact CD1-CD1 3.87Å; I787-L871 HydrophobicContact CG1-CB 4.39Å; I787-L871 HydrophobicContact CG1-CD1 3.5Å |
| 788 | E | 85.7 | Confident | 73.9 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.7 | -179.5 | 63.3 | -174.2 | -164.6 | 0 | 0 | 110.6 | K786 L869 K870 I872 | K786-E788 VanDerWaalsContact CE-OE2 3.23Å; K786-E788 WeakPolarHBondContact CE-OE2 3.33Å; K786-E788 IonicContact NZ-OE2 2.71Å; K786-E788 PolarHBondContact NZ-OE2 2.77Å; E788-L869 WeakPolarHBondContact O-CA 3.44Å; E788-K870 HydrophobicContact CG-CB 3.88Å; E788-K870 HydrophobicContact CG-CD 4.35Å; E788-K870 PolarHBondContact N-O 3Å; E788-K870 PolarHBondContact O-N 2.89Å; E788-K870 WeakPolarHBondContact OE1-CD 3.28Å; E788-K870 IonicContact OE1-NZ 3.01Å; E788-I872 VanDerWaalsContact CD-CD1 3.48Å; E788-I872 HydrophobicContact CG-CD1 4.11Å; E788-I872 VanDerWaalsContact OE1-CD1 3.32Å; E788-I872 WeakPolarHBondContact OE1-CD1 3.41Å |
| 789 | T | 83.6 | Confident | 74.8 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.4 | 170.6 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | K791 V796 F798 N822 D868 | T789-K791 HydrophobicContact CG2-CB 4.34Å; T789-K791 PolarHBondContact O-N 2.95Å; T789-K791 PolarHBondContact OG1-N 3.13Å; T789-V796 HydrophobicContact CG2-CB 4.17Å; T789-V796 HydrophobicContact CG2-CG1 4.16Å; T789-F798 HydrophobicContact CG2-CE2 3.94Å; T789-F798 HydrophobicContact CG2-CZ 4.5Å; T789-N822 HydrophobicContact CG2-CB 3.85Å; T789-D868 WeakPolarHBondContact CA-O 3.44Å; T789-D868 PolarHBondContact OG1-O 2.78Å |
| 790 | S | 76.5 | Confident | 75.2 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 60% | 0.601 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -74.5 | -12.3 | 172 | 58.9 | 0 | 0 | 0 | 0 | 113 | ||
| 791 | K | 76.1 | Confident | 75.6 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -78.7 | 151.5 | -177.3 | -60.6 | -61.6 | -177.8 | -178.8 | 0 | 112 | T789 E795 V796 N822 S866 I867 | T789-K791 HydrophobicContact CG2-CB 4.34Å; T789-K791 PolarHBondContact O-N 2.95Å; T789-K791 PolarHBondContact OG1-N 3.13Å; K791-E795 HydrophobicContact CB-CB 4.15Å; K791-E795 WeakPolarHBondContact CB-OE2 3.23Å; K791-E795 WeakPolarHBondContact CD-OE2 3.15Å; K791-V796 HydrophobicContact CB-CB 4.21Å; K791-V796 HydrophobicContact CB-CG2 3.7Å; K791-V796 HydrophobicContact CG-CG2 4.01Å; K791-N822 PolarHBondContact O-ND2 2.73Å; K791-S866 VanDerWaalsContact CE-O 3.27Å; K791-S866 WeakPolarHBondContact CE-O 3.48Å; K791-I867 HydrophobicContact CG-CG2 4.43Å |
| 792 | H | 70.9 | Confident | 75.7 | Confident | 133 Ų | 133 | 54.7 Ų | 54.7 | 62% | 0.616 | 27% | 0.273 | S | S | * | . | trans | -71.3 | 156.9 | 179.4 | -105.9 | 23 | 0 | 0 | 0 | 112.4 | N794 E795 V796 N822 | H792-N794 PolarHBondContact O-N 2.9Å; H792-N794 VanDerWaalsContact O-N 3.12Å; H792-E795 HydrophobicContact CB-CG 4.36Å; H792-E795 PolarHBondContact N-OE2 3.08Å; H792-E795 VanDerWaalsContact N-OE2 3.16Å; H792-E795 WeakPolarHBondContact O-CA 3.41Å; H792-E795 WeakPolarHBondContact O-CB 3.39Å; H792-E795 PolarHBondContact O-N 2.99Å; H792-V796 PolarHBondContact O-N 2.91Å; H792-N822 PolarHBondContact O-ND2 3.47Å | ||
| 793 | P | 64.9 | Low | 75.4 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.4 | -179.8 | -25.2 | 33.6 | 0 | 0 | 0 | 115 | E795 N822 | P793-E795 VanDerWaalsContact C-N 3.26Å; P793-E795 PolarHBondContact O-N 2.95Å; P793-N822 WeakPolarHBondContact CA-ND2 3.29Å; P793-N822 WeakPolarHBondContact CA-OD1 3.31Å; P793-N822 WeakPolarHBondContact CB-OD1 3.48Å |
| 794 | N | 69.1 | Low | 74.5 | Confident | 143 Ų | 143 | 50 Ų | 50 | 77% | 0.765 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.7 | 176.2 | -59.5 | -10.1 | 0 | 0 | 0 | 112.8 | H792 | H792-N794 PolarHBondContact O-N 2.9Å; H792-N794 VanDerWaalsContact O-N 3.12Å |
| 795 | E | 75.6 | Confident | 73.3 | Confident | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -39.7 | -179.9 | -65.4 | -178 | 152.3 | 0 | 0 | 112.1 | K791 H792 P793 G860 V863 | K791-E795 HydrophobicContact CB-CB 4.15Å; K791-E795 WeakPolarHBondContact CB-OE2 3.23Å; K791-E795 WeakPolarHBondContact CD-OE2 3.15Å; H792-E795 HydrophobicContact CB-CG 4.36Å; H792-E795 PolarHBondContact N-OE2 3.08Å; H792-E795 VanDerWaalsContact N-OE2 3.16Å; H792-E795 WeakPolarHBondContact O-CA 3.41Å; H792-E795 WeakPolarHBondContact O-CB 3.39Å; H792-E795 PolarHBondContact O-N 2.99Å; P793-E795 VanDerWaalsContact C-N 3.26Å; P793-E795 PolarHBondContact O-N 2.95Å; E795-G860 PolarHBondContact O-N 3.07Å; E795-V863 HydrophobicContact CB-CG2 3.71Å; E795-V863 HydrophobicContact CG-CG2 4.35Å |
| 796 | V | 77.3 | Confident | 72 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.8 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | T789 K791 H792 F798 N822 L857 N858 I867 | T789-V796 HydrophobicContact CG2-CB 4.17Å; T789-V796 HydrophobicContact CG2-CG1 4.16Å; K791-V796 HydrophobicContact CB-CB 4.21Å; K791-V796 HydrophobicContact CB-CG2 3.7Å; K791-V796 HydrophobicContact CG-CG2 4.01Å; H792-V796 PolarHBondContact O-N 2.91Å; V796-F798 HydrophobicContact CG1-CZ 4.49Å; V796-N822 VanDerWaalsContact O-CG 3.3Å; V796-N822 PolarHBondContact O-ND2 2.88Å; V796-N822 PolarHBondContact O-OD1 2.83Å; V796-N822 VanDerWaalsContact O-OD1 3.07Å; V796-L857 HydrophobicContact CG1-CD1 4.23Å; V796-N858 WeakPolarHBondContact CA-O 3.39Å; V796-I867 HydrophobicContact CG2-CD1 3.67Å; V796-I867 HydrophobicContact CG2-CG1 4.03Å; V796-I867 HydrophobicContact CG2-CG2 4.12Å |
| 797 | H | 77.7 | Confident | 70.4 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119 | 180 | -176.3 | -74.3 | 0 | 0 | 0 | 110.6 | F799 L857 N858 | H797-F799 AromaticContact ND1-CE2 3.85Å; H797-F799 AromaticContact ND1-CZ 3.8Å; H797-L857 CarbonylContact O-C 3.46Å; H797-L857 VanDerWaalsContact O-CA 3.26Å; H797-L857 WeakPolarHBondContact O-CA 3.16Å; H797-N858 PolarHBondContact N-O 3.44Å; H797-N858 PolarHBondContact O-N 2.91Å |
| 798 | F | 81.5 | Confident | 68.8 | Low | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 151.7 | 175.4 | -68.9 | -70 | 0 | 0 | 0 | 111.9 | I787 T789 V796 V819 N822 V824 I855 L857 L869 | I787-F798 HydrophobicContact CG2-CE1 4.48Å; I787-F798 HydrophobicContact CG2-CZ 4.15Å; T789-F798 HydrophobicContact CG2-CE2 3.94Å; T789-F798 HydrophobicContact CG2-CZ 4.5Å; V796-F798 HydrophobicContact CG1-CZ 4.49Å; F798-V819 HydrophobicContact CB-CG1 3.68Å; F798-N822 VanDerWaalsContact CE2-O 3.3Å; F798-N822 WeakPolarHBondContact CE2-O 3.18Å; F798-V824 HydrophobicContact CB-CG2 3.54Å; F798-V824 HydrophobicContact CD1-CG2 3.69Å; F798-V824 HydrophobicContact CD2-CG2 3.9Å; F798-V824 HydrophobicContact CE1-CG2 4.34Å; F798-V824 HydrophobicContact CG-CG2 3.44Å; F798-V824 VanDerWaalsContact CG-CG2 3.44Å; F798-I855 HydrophobicContact CD1-CG2 3.67Å; F798-I855 HydrophobicContact CE1-CG2 4.03Å; F798-L857 HydrophobicContact CD1-CB 3.77Å; F798-L857 HydrophobicContact CE1-CB 4.03Å; F798-L857 HydrophobicContact CE1-CD2 4.12Å; F798-L869 HydrophobicContact CZ-CD2 3.81Å |
| 799 | F | 75.2 | Confident | 67.3 | Low | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | trans | -121.1 | 170.8 | 169.8 | -49.7 | -110.7 | 0 | 0 | 0 | 110.5 | F766 H797 Q801 P856 N858 C941 | F766-F799 HydrophobicContact CD2-CD2 4.5Å; F766-F799 HydrophobicContact CD2-CE2 4.12Å; F766-F799 AromaticContact CE2-CD2 3.78Å; F766-F799 HydrophobicContact CE2-CD2 3.78Å; F766-F799 AromaticContact CE2-CE2 3.82Å; F766-F799 HydrophobicContact CE2-CE2 3.82Å; F766-F799 HydrophobicContact CE2-CG 4.35Å; F766-F799 HydrophobicContact CE2-CZ 4.4Å; H797-F799 AromaticContact ND1-CE2 3.85Å; H797-F799 AromaticContact ND1-CZ 3.8Å; F799-Q801 PolarHBondContact O-N 2.92Å; F799-P856 HydrophobicContact CB-CB 4.2Å; F799-P856 HydrophobicContact CB-CG 3.58Å; F799-P856 HydrophobicContact CD2-CB 4.24Å; F799-P856 HydrophobicContact CD2-CG 4.46Å; F799-P856 HydrophobicContact CG-CG 4.44Å; F799-P856 PolarHBondContact N-O 2.73Å; F799-N858 HydrophobicContact CE2-CB 3.7Å; F799-N858 HydrophobicContact CZ-CB 4.04Å; F799-C941 WeakPolarHBondContact CZ-SG 3.4Å | ||
| 800 | D | 69.6 | Low | 66 | Low | 110 Ų | 110 | 50.2 Ų | 50.2 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | trans | -57.3 | 129.6 | -179 | -65.1 | -32.2 | 0 | 0 | 0 | 112.1 | P856 W973 | D800-P856 WeakPolarHBondContact O-CG 3.41Å; D800-W973 PolarHBondContact O-NE1 3.21Å | ||
| 801 | Q | 70.4 | Confident | 65 | Low | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | trans | -76.6 | 148 | -175.1 | 53.7 | -84.1 | 19.1 | 0 | 0 | 112.2 | F799 F817 V824 Y825 V826 I853 M854 I855 | F799-Q801 PolarHBondContact O-N 2.92Å; Q801-F817 HydrophobicContact CG-CB 4.25Å; Q801-F817 HydrophobicContact CG-CD1 3.28Å; Q801-F817 HydrophobicContact CG-CE1 3.87Å; Q801-F817 HydrophobicContact CG-CG 3.97Å; Q801-F817 VanDerWaalsContact NE2-CD1 3.27Å; Q801-V824 HydrophobicContact CG-CG1 4.44Å; Q801-Y825 PolarHBondContact NE2-O 3.49Å; Q801-V826 HydrophobicContact CG-CG2 4.02Å; Q801-I853 HydrophobicContact CB-CG2 3.66Å; Q801-I853 HydrophobicContact CG-CG2 4.04Å; Q801-M854 CarbonylContact C-O 3.52Å; Q801-M854 WeakPolarHBondContact CA-O 3.22Å; Q801-M854 VanDerWaalsContact CB-O 3.31Å; Q801-M854 WeakPolarHBondContact CB-O 3.25Å; Q801-I855 HydrophobicContact CB-CG1 4.15Å | ||
| 802 | K | 66.2 | Low | 64 | Low | 55 Ų | 55 | 46.7 Ų | 46.7 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.8 | 169.9 | -66.4 | -173.2 | -176.7 | -177.9 | 0 | 109.1 | L804 M854 D967 N970 V972 W973 | K802-L804 PolarHBondContact O-N 3.42Å; K802-M854 PolarHBondContact N-O 3Å; K802-M854 PolarHBondContact O-N 3.32Å; K802-D967 IonicContact NZ-OD2 3.58Å; K802-D967 PolarHBondContact NZ-OD2 2.89Å; K802-N970 WeakPolarHBondContact CD-O 3.41Å; K802-N970 PolarHBondContact NZ-O 3.18Å; K802-V972 PolarHBondContact NZ-O 2.87Å; K802-W973 HydrophobicContact CD-CZ2 4.3Å; K802-W973 HydrophobicContact CG-CZ2 4.3Å |
| 803 | I | 60.9 | Low | 63.2 | Low | 59 Ų | 59 | 44.3 Ų | 44.3 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.1 | 173 | -49.2 | 173.5 | 0 | 0 | 0 | 108.4 | T806 F815 F817 | I803-T806 HydrophobicContact CD1-CG2 4.1Å; I803-T806 HydrophobicContact CG2-CG2 3.63Å; I803-F815 HydrophobicContact CD1-CB 4.49Å; I803-F815 HydrophobicContact CD1-CD1 3.91Å; I803-F815 HydrophobicContact CD1-CE1 4.17Å; I803-F815 HydrophobicContact CD1-CG 4.08Å; I803-F817 HydrophobicContact CD1-CE1 4.37Å; I803-F817 HydrophobicContact CD1-CE2 3.89Å; I803-F817 HydrophobicContact CD1-CZ 3.32Å; I803-F817 HydrophobicContact CG1-CE1 3.94Å; I803-F817 HydrophobicContact CG1-CE2 4.07Å; I803-F817 HydrophobicContact CG1-CZ 3.28Å |
| 804 | L | 55.2 | Low | 62.7 | Low | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -39.2 | 171.1 | -80.2 | 171.6 | 0 | 0 | 0 | 112.1 | M770 K802 N852 M854 | M770-L804 HydrophobicContact SD-CD1 4.44Å; K802-L804 PolarHBondContact O-N 3.42Å; L804-N852 HydrophobicContact CB-CB 4.04Å; L804-N852 WeakPolarHBondContact CB-O 3.29Å; L804-N852 HydrophobicContact CD1-CB 4.46Å; L804-N852 PolarHBondContact N-O 2.86Å; L804-M854 HydrophobicContact CD1-CG 3.42Å; L804-M854 VanDerWaalsContact CD1-CG 3.42Å; L804-M854 HydrophobicContact CD1-SD 3.56Å; L804-M854 VanDerWaalsContact CD1-SD 3.56Å; L804-M854 HydrophobicContact CD2-CG 4.38Å; L804-M854 HydrophobicContact CD2-SD 3.5Å; L804-M854 VanDerWaalsContact CD2-SD 3.5Å; L804-M854 HydrophobicContact CG-CG 3.73Å; L804-M854 HydrophobicContact CG-SD 3.53Å; L804-M854 VanDerWaalsContact CG-SD 3.53Å |
| 805 | D | 52.9 | Low | 62.3 | Low | 18 Ų | 18 | 41.6 Ų | 41.6 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 125.5 | -174.9 | -159.6 | -23.9 | 0 | 0 | 0 | 108.6 | G319 K359 G807 I851 N852 | G319-D805 WeakPolarHBondContact CA-OD2 3.31Å; G319-D805 PolarHBondContact N-OD2 2.76Å; K359-D805 IonicContact NZ-OD2 2.75Å; K359-D805 PolarHBondContact NZ-OD2 3.4Å; D805-G807 WeakPolarHBondContact OD1-CA 3.24Å; D805-G807 PolarHBondContact OD1-N 2.83Å; D805-I851 CarbonylContact O-C 3.51Å; D805-I851 VanDerWaalsContact O-CA 3.31Å; D805-I851 WeakPolarHBondContact O-CA 3.39Å; D805-N852 HydrophobicContact CB-CB 4.23Å; D805-N852 PolarHBondContact N-O 2.71Å; D805-N852 PolarHBondContact O-N 2.91Å |
| 806 | T | 53.9 | Low | 61.6 | Low | 27 Ų | 27 | 45.4 Ų | 45.4 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | trans | -90.7 | -8.4 | 171.3 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | I803 M810 F815 I851 | I803-T806 HydrophobicContact CD1-CG2 4.1Å; I803-T806 HydrophobicContact CG2-CG2 3.63Å; T806-M810 WeakPolarHBondContact O-CB 3.42Å; T806-F815 HydrophobicContact CG2-CE1 4.22Å; T806-F815 HydrophobicContact CG2-CE2 3.65Å; T806-F815 HydrophobicContact CG2-CZ 3.41Å; T806-F815 VanDerWaalsContact CG2-CZ 3.41Å; T806-I851 WeakPolarHBondContact O-CG1 2.99Å | ||
| 807 | G | 51.9 | Low | 61.1 | Low | 13 Ų | 13 | 49.1 Ų | 49.1 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | trans | 62.7 | 168.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D805 V809 S850 | D805-G807 WeakPolarHBondContact OD1-CA 3.24Å; D805-G807 PolarHBondContact OD1-N 2.83Å; G807-V809 PolarHBondContact O-N 2.82Å; G807-S850 PolarHBondContact N-O 3.23Å | ||
| 808 | L | 50.9 | Low | 60.9 | Low | 69 Ų | 69 | 49.4 Ų | 49.4 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16.3 | -169.6 | -68.9 | 147.3 | 0 | 0 | 0 | 114.5 | Q348 K698 | Q348-L808 VanDerWaalsContact CD-CD1 3.47Å; K698-L808 PolarHBondContact NZ-O 2.66Å |
| 809 | V | 53.8 | Low | 60.3 | Low | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -10.1 | -170.5 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | G807 Q831 Q832 F833 T849 | G807-V809 PolarHBondContact O-N 2.82Å; V809-Q831 HydrophobicContact CG1-CG 3.61Å; V809-Q832 HydrophobicContact CG1-CB 4.1Å; V809-Q832 VanDerWaalsContact O-CG 3.24Å; V809-Q832 WeakPolarHBondContact O-CG 3.41Å; V809-Q832 PolarHBondContact O-N 2.86Å; V809-F833 HydrophobicContact CB-CD2 3.8Å; V809-F833 HydrophobicContact CB-CE2 4Å; V809-F833 HydrophobicContact CG1-CB 4.29Å; V809-F833 HydrophobicContact CG1-CD2 3.25Å; V809-F833 HydrophobicContact CG1-CE2 3.81Å; V809-F833 HydrophobicContact CG1-CG 4.13Å; V809-F833 HydrophobicContact CG2-CD2 3.54Å; V809-F833 HydrophobicContact CG2-CE2 3.81Å; V809-T849 HydrophobicContact CB-CG2 4.08Å; V809-T849 WeakPolarHBondContact CB-OG1 3.42Å; V809-T849 HydrophobicContact CG2-CG2 4.37Å; V809-T849 WeakPolarHBondContact CG2-OG1 3.39Å |
| 810 | M | 55 | Low | 60.3 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -107.7 | 132.3 | 177 | -56.7 | -120 | 82.2 | 0 | 0 | 108.8 | I775 Y783 T806 I828 N830 Q831 T849 I851 | I775-M810 HydrophobicContact CD1-SD 3.98Å; Y783-M810 HydrophobicContact CD2-CE 4.3Å; T806-M810 WeakPolarHBondContact O-CB 3.42Å; M810-I828 HydrophobicContact CE-CG2 4.46Å; M810-I828 HydrophobicContact SD-CB 4.49Å; M810-I828 HydrophobicContact SD-CG2 3.31Å; M810-I828 WeakPolarHBondContact SD-CG2 3.33Å; M810-N830 VanDerWaalsContact CE-O 3.23Å; M810-N830 WeakPolarHBondContact CE-O 3.49Å; M810-Q831 VanDerWaalsContact CE-CA 3.44Å; M810-Q831 HydrophobicContact CE-CB 3.76Å; M810-Q831 HydrophobicContact CE-CG 4.49Å; M810-T849 HydrophobicContact CG-CG2 3.99Å; M810-I851 HydrophobicContact CG-CD1 4.06Å; M810-I851 HydrophobicContact CG-CG1 4.21Å; M810-I851 HydrophobicContact SD-CD1 3.56Å; M810-I851 VanDerWaalsContact SD-CD1 3.56Å; M810-I851 HydrophobicContact SD-CG1 4.18Å |
| 811 | T | 55.9 | Low | 60.1 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | trans | -79.7 | 135.6 | 174.8 | 62.7 | 0 | 0 | 0 | 0 | 109 | I645 V700 H813 F815 | I645-T811 HydrophobicContact CD1-CG2 4.01Å; V700-T811 HydrophobicContact CB-CG2 4.42Å; V700-T811 HydrophobicContact CG1-CG2 3.77Å; V700-T811 HydrophobicContact CG2-CG2 4.32Å; T811-H813 PolarHBondContact O-N 2.81Å; T811-F815 WeakPolarHBondContact O-CD2 3.37Å; T811-F815 WeakPolarHBondContact O-CE2 3.18Å | ||
| 812 | S | 55.9 | Low | 60.1 | Low | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | trans | -68.1 | -12.6 | 170.9 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | K814 F815 | S812-K814 PolarHBondContact O-N 2.86Å; S812-F815 VanDerWaalsContact CA-CD2 3.41Å; S812-F815 WeakPolarHBondContact O-CD2 3.09Å; S812-F815 PolarHBondContact O-N 3.39Å | ||
| 813 | H | 53.3 | Low | 60.7 | Low | 83 Ų | 83 | 52.7 Ų | 52.7 | 38% | 0.384 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 119.9 | -178.6 | -142.6 | 75.9 | 0 | 0 | 0 | 110.6 | I645 T811 | I645-H813 HydrophobicContact CB-CB 4.46Å; I645-H813 HydrophobicContact CD1-CB 3.98Å; I645-H813 PolarHBondContact O-ND1 2.7Å; T811-H813 PolarHBondContact O-N 2.81Å |
| 814 | K | 53.9 | Low | 61.5 | Low | 121 Ų | 121 | 49.9 Ų | 49.9 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 21.7 | -176.1 | -51.7 | 172.5 | -178.3 | 163 | 0 | 115.9 | E702 S812 Q816 | E702-K814 IonicContact OE1-NZ 2.83Å; E702-K814 PolarHBondContact OE1-NZ 2.89Å; E702-K814 IonicContact OE2-NZ 3.73Å; E702-K814 PolarHBondContact OE2-NZ 3.5Å; S812-K814 PolarHBondContact O-N 2.86Å; K814-Q816 PolarHBondContact O-N 2.69Å; K814-Q816 VanDerWaalsContact O-N 3.11Å |
| 815 | F | 61.1 | Low | 62.8 | Low | 24 Ų | 24 | 53.4 Ų | 53.4 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | trans | -57.9 | 121.3 | 162.7 | -90.2 | -103.8 | 0 | 0 | 0 | 109.1 | I803 T806 T811 S812 F817 V826 G827 I828 | I803-F815 HydrophobicContact CD1-CB 4.49Å; I803-F815 HydrophobicContact CD1-CD1 3.91Å; I803-F815 HydrophobicContact CD1-CE1 4.17Å; I803-F815 HydrophobicContact CD1-CG 4.08Å; T806-F815 HydrophobicContact CG2-CE1 4.22Å; T806-F815 HydrophobicContact CG2-CE2 3.65Å; T806-F815 HydrophobicContact CG2-CZ 3.41Å; T806-F815 VanDerWaalsContact CG2-CZ 3.41Å; T811-F815 WeakPolarHBondContact O-CD2 3.37Å; T811-F815 WeakPolarHBondContact O-CE2 3.18Å; S812-F815 VanDerWaalsContact CA-CD2 3.41Å; S812-F815 WeakPolarHBondContact O-CD2 3.09Å; S812-F815 PolarHBondContact O-N 3.39Å; F815-F817 HydrophobicContact CB-CE2 3.6Å; F815-F817 HydrophobicContact CB-CZ 3.59Å; F815-F817 AromaticContact CD1-CE1 3.93Å; F815-F817 HydrophobicContact CD1-CE1 3.93Å; F815-F817 HydrophobicContact CD1-CE2 4.35Å; F815-F817 AromaticContact CD1-CZ 3.45Å; F815-F817 HydrophobicContact CD1-CZ 3.45Å; F815-F817 VanDerWaalsContact CD1-CZ 3.45Å; F815-F817 HydrophobicContact CE1-CZ 4.45Å; F815-F817 HydrophobicContact CG-CE2 4.37Å; F815-F817 AromaticContact CG-CZ 3.88Å; F815-F817 HydrophobicContact CG-CZ 3.88Å; F815-V826 HydrophobicContact CD1-CG1 4.06Å; F815-V826 HydrophobicContact CE1-CG1 4.41Å; F815-G827 VanDerWaalsContact CA-O 3.29Å; F815-G827 WeakPolarHBondContact CA-O 3.4Å; F815-G827 VanDerWaalsContact CD1-O 3.24Å; F815-G827 WeakPolarHBondContact CD1-O 3.32Å; F815-I828 VanDerWaalsContact CD2-O 3.29Å; F815-I828 WeakPolarHBondContact CD2-O 3.19Å; F815-I828 HydrophobicContact CE1-CB 4.19Å; F815-I828 HydrophobicContact CE1-CG1 4.49Å; F815-I828 HydrophobicContact CE1-CG2 3.9Å; F815-I828 WeakPolarHBondContact CE2-O 2.98Å; F815-I828 HydrophobicContact CZ-CB 4.42Å; F815-I828 HydrophobicContact CZ-CG2 3.74Å; F815-I828 WeakPolarHBondContact CZ-O 3.35Å | ||
| 816 | Q | 61.1 | Low | 63.8 | Low | 136 Ų | 136 | 52.6 Ų | 52.6 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119 | 178.6 | -74.6 | -178.7 | -15.2 | 0 | 0 | 108.2 | K814 V826 G827 | K814-Q816 PolarHBondContact O-N 2.69Å; K814-Q816 VanDerWaalsContact O-N 3.11Å; Q816-V826 CarbonylContact O-C 3.29Å; Q816-V826 WeakPolarHBondContact O-CA 2.69Å; Q816-G827 PolarHBondContact N-O 3.48Å; Q816-G827 PolarHBondContact O-N 3.34Å |
| 817 | F | 67.4 | Low | 64.5 | Low | 78 Ų | 78 | 52.3 Ų | 52.3 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124 | 178.4 | -60.5 | -66.1 | 0 | 0 | 0 | 108.2 | Q801 I803 F815 V826 | Q801-F817 HydrophobicContact CG-CB 4.25Å; Q801-F817 HydrophobicContact CG-CD1 3.28Å; Q801-F817 HydrophobicContact CG-CE1 3.87Å; Q801-F817 HydrophobicContact CG-CG 3.97Å; Q801-F817 VanDerWaalsContact NE2-CD1 3.27Å; I803-F817 HydrophobicContact CD1-CE1 4.37Å; I803-F817 HydrophobicContact CD1-CE2 3.89Å; I803-F817 HydrophobicContact CD1-CZ 3.32Å; I803-F817 HydrophobicContact CG1-CE1 3.94Å; I803-F817 HydrophobicContact CG1-CE2 4.07Å; I803-F817 HydrophobicContact CG1-CZ 3.28Å; F815-F817 HydrophobicContact CB-CE2 3.6Å; F815-F817 HydrophobicContact CB-CZ 3.59Å; F815-F817 AromaticContact CD1-CE1 3.93Å; F815-F817 HydrophobicContact CD1-CE1 3.93Å; F815-F817 HydrophobicContact CD1-CE2 4.35Å; F815-F817 AromaticContact CD1-CZ 3.45Å; F815-F817 HydrophobicContact CD1-CZ 3.45Å; F815-F817 VanDerWaalsContact CD1-CZ 3.45Å; F815-F817 HydrophobicContact CE1-CZ 4.45Å; F815-F817 HydrophobicContact CG-CE2 4.37Å; F815-F817 AromaticContact CG-CZ 3.88Å; F815-F817 HydrophobicContact CG-CZ 3.88Å; F817-V826 HydrophobicContact CD1-CB 4.29Å; F817-V826 HydrophobicContact CD1-CG1 3.74Å; F817-V826 HydrophobicContact CD1-CG2 3.92Å; F817-V826 HydrophobicContact CE1-CB 4.34Å; F817-V826 HydrophobicContact CE1-CG1 3.38Å; F817-V826 HydrophobicContact CE1-CG2 4.2Å; F817-V826 HydrophobicContact CZ-CG1 4.35Å |
| 818 | N | 73.5 | Confident | 65.1 | Low | 94 Ų | 94 | 51.8 Ų | 51.8 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 129.1 | 174.2 | -169.4 | -1.3 | 0 | 0 | 0 | 109.9 | Y825 | N818-Y825 PolarHBondContact N-O 3.22Å; N818-Y825 PolarHBondContact O-N 3.17Å |
| 819 | V | 69.2 | Low | 65.7 | Low | 40 Ų | 40 | 49.1 Ų | 49.1 | 24% | 0.242 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116 | 171.8 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | F798 T823 V824 | F798-V819 HydrophobicContact CB-CG1 3.68Å; V819-T823 WeakPolarHBondContact CA-O 3.4Å; V819-V824 HydrophobicContact CG1-CG2 4.44Å; V819-V824 HydrophobicContact CG2-CG1 4.45Å; V819-V824 HydrophobicContact CG2-CG2 4.23Å |
| 820 | S | 73.5 | Confident | 65.9 | Low | 49 Ų | 49 | 50.3 Ų | 50.3 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.5 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | N822 T823 | S820-N822 PolarHBondContact O-N 3.03Å; S820-T823 PolarHBondContact N-O 3.04Å; S820-T823 WeakPolarHBondContact O-CA 3.23Å; S820-T823 VanDerWaalsContact O-CB 3.25Å; S820-T823 WeakPolarHBondContact O-CB 3.5Å; S820-T823 PolarHBondContact O-N 2.97Å |
| 821 | N | 66.3 | Low | 66 | Low | 152 Ų | 152 | 50.7 Ų | 50.7 | 81% | 0.813 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.2 | 59.5 | 172.9 | -68.5 | -12.3 | 0 | 0 | 0 | 113.9 | T823 | N821-T823 PolarHBondContact O-N 2.89Å; N821-T823 PolarHBondContact O-OG1 2.85Å |
| 822 | N | 70.7 | Confident | 66 | Low | 16 Ų | 16 | 51.1 Ų | 51.1 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.9 | 178.9 | -76.7 | 18.3 | 0 | 0 | 0 | 115.6 | T789 K791 H792 P793 V796 F798 S820 | T789-N822 HydrophobicContact CG2-CB 3.85Å; K791-N822 PolarHBondContact O-ND2 2.73Å; H792-N822 PolarHBondContact O-ND2 3.47Å; P793-N822 WeakPolarHBondContact CA-ND2 3.29Å; P793-N822 WeakPolarHBondContact CA-OD1 3.31Å; P793-N822 WeakPolarHBondContact CB-OD1 3.48Å; V796-N822 VanDerWaalsContact O-CG 3.3Å; V796-N822 PolarHBondContact O-ND2 2.88Å; V796-N822 PolarHBondContact O-OD1 2.83Å; V796-N822 VanDerWaalsContact O-OD1 3.07Å; F798-N822 VanDerWaalsContact CE2-O 3.3Å; F798-N822 WeakPolarHBondContact CE2-O 3.18Å; S820-N822 PolarHBondContact O-N 3.03Å |
| 823 | T | 78.6 | Confident | 65.7 | Low | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.4 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | K786 I787 V819 S820 N821 Y825 | K786-T823 HydrophobicContact CD-CG2 3.86Å; K786-T823 HydrophobicContact CG-CG2 3.31Å; I787-T823 CarbonylContact O-C 3.51Å; I787-T823 VanDerWaalsContact O-CA 3.28Å; I787-T823 WeakPolarHBondContact O-CA 3.49Å; V819-T823 WeakPolarHBondContact CA-O 3.4Å; S820-T823 PolarHBondContact N-O 3.04Å; S820-T823 WeakPolarHBondContact O-CA 3.23Å; S820-T823 VanDerWaalsContact O-CB 3.25Å; S820-T823 WeakPolarHBondContact O-CB 3.5Å; S820-T823 PolarHBondContact O-N 2.97Å; N821-T823 PolarHBondContact O-N 2.89Å; N821-T823 PolarHBondContact O-OG1 2.85Å; T823-Y825 HydrophobicContact CG2-CD2 3.55Å; T823-Y825 HydrophobicContact CG2-CE2 3.33Å; T823-Y825 HydrophobicContact CG2-CG 4.37Å |
| 824 | V | 78.3 | Confident | 65.1 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.4 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | K786 I787 F798 Q801 V819 V826 I855 | K786-V824 CarbonylContact C-O 3.53Å; K786-V824 VanDerWaalsContact CA-O 3.29Å; K786-V824 WeakPolarHBondContact CA-O 3.3Å; I787-V824 HydrophobicContact CB-CB 4.39Å; I787-V824 PolarHBondContact N-O 3.01Å; I787-V824 PolarHBondContact O-N 3.3Å; F798-V824 HydrophobicContact CB-CG2 3.54Å; F798-V824 HydrophobicContact CD1-CG2 3.69Å; F798-V824 HydrophobicContact CD2-CG2 3.9Å; F798-V824 HydrophobicContact CE1-CG2 4.34Å; F798-V824 HydrophobicContact CG-CG2 3.44Å; F798-V824 VanDerWaalsContact CG-CG2 3.44Å; Q801-V824 HydrophobicContact CG-CG1 4.44Å; V819-V824 HydrophobicContact CG1-CG2 4.44Å; V819-V824 HydrophobicContact CG2-CG1 4.45Å; V819-V824 HydrophobicContact CG2-CG2 4.23Å; V824-V826 HydrophobicContact CG1-CG2 4.1Å; V824-I855 HydrophobicContact CG1-CD1 4.36Å; V824-I855 HydrophobicContact CG2-CG2 3.9Å |
| 825 | Y | 81 | Confident | 64.3 | Low | 94 Ų | 94 | 43.3 Ų | 43.3 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.2 | 170.5 | -79.6 | -85.4 | 0 | 0 | 0 | 109.9 | K786 Q801 N818 T823 | K786-Y825 HydrophobicContact CB-CD1 3.88Å; K786-Y825 HydrophobicContact CB-CE1 3.77Å; K786-Y825 HydrophobicContact CD-CD1 4.47Å; K786-Y825 HydrophobicContact CD-CE1 3.62Å; K786-Y825 HydrophobicContact CD-CE2 4.25Å; K786-Y825 VanDerWaalsContact CD-CZ 3.49Å; K786-Y825 WeakPolarHBondContact CD-OH 3.44Å; K786-Y825 VanDerWaalsContact CE-CZ 3.43Å; K786-Y825 WeakPolarHBondContact CE-OH 3.19Å; K786-Y825 HydrophobicContact CG-CD1 3.94Å; K786-Y825 HydrophobicContact CG-CD2 4.47Å; K786-Y825 HydrophobicContact CG-CE1 3.57Å; K786-Y825 HydrophobicContact CG-CE2 4.15Å; K786-Y825 HydrophobicContact CG-CG 4.38Å; K786-Y825 PolarHBondContact NZ-OH 3.27Å; Q801-Y825 PolarHBondContact NE2-O 3.49Å; N818-Y825 PolarHBondContact N-O 3.22Å; N818-Y825 PolarHBondContact O-N 3.17Å; T823-Y825 HydrophobicContact CG2-CD2 3.55Å; T823-Y825 HydrophobicContact CG2-CE2 3.33Å; T823-Y825 HydrophobicContact CG2-CG 4.37Å |
| 826 | V | 73.9 | Confident | 62.8 | Low | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 110.5 | 171.4 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | S784 M785 Q801 F815 Q816 F817 V824 I828 I853 | S784-V826 CarbonylContact C-O 3.57Å; S784-V826 WeakPolarHBondContact CA-O 2.91Å; M785-V826 HydrophobicContact CE-CB 3.75Å; M785-V826 HydrophobicContact CE-CG1 4.36Å; M785-V826 HydrophobicContact CE-CG2 3.4Å; M785-V826 HydrophobicContact CG-CB 3.69Å; M785-V826 HydrophobicContact CG-CG2 4.25Å; M785-V826 PolarHBondContact N-O 2.95Å; M785-V826 PolarHBondContact O-N 3.33Å; Q801-V826 HydrophobicContact CG-CG2 4.02Å; F815-V826 HydrophobicContact CD1-CG1 4.06Å; F815-V826 HydrophobicContact CE1-CG1 4.41Å; Q816-V826 CarbonylContact O-C 3.29Å; Q816-V826 WeakPolarHBondContact O-CA 2.69Å; F817-V826 HydrophobicContact CD1-CB 4.29Å; F817-V826 HydrophobicContact CD1-CG1 3.74Å; F817-V826 HydrophobicContact CD1-CG2 3.92Å; F817-V826 HydrophobicContact CE1-CB 4.34Å; F817-V826 HydrophobicContact CE1-CG1 3.38Å; F817-V826 HydrophobicContact CE1-CG2 4.2Å; F817-V826 HydrophobicContact CZ-CG1 4.35Å; V824-V826 HydrophobicContact CG1-CG2 4.1Å; V826-I828 HydrophobicContact CG1-CG1 4.18Å; V826-I828 PolarHBondContact O-N 2.87Å; V826-I853 HydrophobicContact CB-CD1 4.38Å; V826-I853 HydrophobicContact CG1-CD1 3.78Å; V826-I853 HydrophobicContact CG2-CD1 4.39Å |
| 827 | G | 68.7 | Low | 61.5 | Low | 22 Ų | 22 | 50.3 Ų | 50.3 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 115.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | F815 Q816 | F815-G827 VanDerWaalsContact CA-O 3.29Å; F815-G827 WeakPolarHBondContact CA-O 3.4Å; F815-G827 VanDerWaalsContact CD1-O 3.24Å; F815-G827 WeakPolarHBondContact CD1-O 3.32Å; Q816-G827 PolarHBondContact N-O 3.48Å; Q816-G827 PolarHBondContact O-N 3.34Å |
| 828 | I | 65.6 | Low | 59.8 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -47.2 | -177.6 | -56.9 | 173.7 | 0 | 0 | 0 | 110 | Y783 M785 M810 F815 V826 I851 | Y783-I828 WeakPolarHBondContact O-CB 3.18Å; Y783-I828 PolarHBondContact O-N 2.88Å; M785-I828 HydrophobicContact CB-CD1 4.16Å; M785-I828 HydrophobicContact CG-CD1 4.03Å; M785-I828 HydrophobicContact CG-CG1 4.33Å; M785-I828 HydrophobicContact SD-CD1 4.4Å; M810-I828 HydrophobicContact CE-CG2 4.46Å; M810-I828 HydrophobicContact SD-CB 4.49Å; M810-I828 HydrophobicContact SD-CG2 3.31Å; M810-I828 WeakPolarHBondContact SD-CG2 3.33Å; F815-I828 VanDerWaalsContact CD2-O 3.29Å; F815-I828 WeakPolarHBondContact CD2-O 3.19Å; F815-I828 HydrophobicContact CE1-CB 4.19Å; F815-I828 HydrophobicContact CE1-CG1 4.49Å; F815-I828 HydrophobicContact CE1-CG2 3.9Å; F815-I828 WeakPolarHBondContact CE2-O 2.98Å; F815-I828 HydrophobicContact CZ-CB 4.42Å; F815-I828 HydrophobicContact CZ-CG2 3.74Å; F815-I828 WeakPolarHBondContact CZ-O 3.35Å; V826-I828 HydrophobicContact CG1-CG1 4.18Å; V826-I828 PolarHBondContact O-N 2.87Å; I828-I851 HydrophobicContact CD1-CD1 4.44Å; I828-I851 HydrophobicContact CG2-CD1 3.73Å; I828-I851 HydrophobicContact CG2-CG1 3.99Å; I828-I851 HydrophobicContact CG2-CG2 4.33Å |
| 829 | G | 63.1 | Low | 57.8 | Low | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -162.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y783 | Y783-G829 PolarHBondContact N-O 3.13Å; Y783-G829 PolarHBondContact O-N 3.46Å; Y783-G829 VanDerWaalsContact O-N 3.12Å |
| 830 | N | 58.6 | Low | 56.2 | Low | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.214 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.7 | -175.6 | -67.8 | -11.9 | 0 | 0 | 0 | 111.4 | Y613 R782 M810 | Y613-N830 HydrophobicContact CD2-CB 3.74Å; Y613-N830 HydrophobicContact CE2-CB 3.7Å; Y613-N830 VanDerWaalsContact CE2-ND2 3.32Å; Y613-N830 WeakPolarHBondContact CE2-ND2 3.44Å; R782-N830 WeakPolarHBondContact CA-OD1 3.31Å; R782-N830 WeakPolarHBondContact CB-OD1 3.23Å; R782-N830 VanDerWaalsContact CG-OD1 3.26Å; R782-N830 WeakPolarHBondContact CG-OD1 2.85Å; M810-N830 VanDerWaalsContact CE-O 3.23Å; M810-N830 WeakPolarHBondContact CE-O 3.49Å |
| 831 | Q | 56.1 | Low | 54.4 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 128.6 | 176.4 | -164.9 | -177.6 | 12.5 | 0 | 0 | 110.7 | I775 S776 A779 Q781 Y783 V809 M810 | I775-Q831 PolarHBondContact O-NE2 2.87Å; S776-Q831 PolarHBondContact O-NE2 3.39Å; S776-Q831 PolarHBondContact O-OE1 2.91Å; S776-Q831 VanDerWaalsContact O-OE1 3.07Å; A779-Q831 PolarHBondContact O-OE1 3.48Å; Q781-Q831 PolarHBondContact O-N 3.35Å; Y783-Q831 HydrophobicContact CE2-CB 4.22Å; V809-Q831 HydrophobicContact CG1-CG 3.61Å; M810-Q831 VanDerWaalsContact CE-CA 3.44Å; M810-Q831 HydrophobicContact CE-CB 3.76Å; M810-Q831 HydrophobicContact CE-CG 4.49Å |
| 832 | Q | 56.7 | Low | 53 | Low | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -84.9 | -41.6 | -165.6 | -65.2 | 177.8 | -35.2 | 0 | 0 | 115.8 | T615 K698 R780 V809 | T615-Q832 PolarHBondContact OG1-OE1 2.66Å; K698-Q832 VanDerWaalsContact NZ-OE1 3.14Å; R780-Q832 PolarHBondContact NE-O 2.83Å; R780-Q832 VanDerWaalsContact NE-O 3.13Å; R780-Q832 PolarHBondContact NH2-O 3.27Å; V809-Q832 HydrophobicContact CG1-CB 4.1Å; V809-Q832 VanDerWaalsContact O-CG 3.24Å; V809-Q832 WeakPolarHBondContact O-CG 3.41Å; V809-Q832 PolarHBondContact O-N 2.86Å | ||
| 833 | F | 49.3 | Very low | 51.4 | Low | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | trans | -98.6 | 154.1 | -162.3 | -58.4 | -65.5 | 0 | 0 | 0 | 114.6 | T615 R780 V809 | T615-F833 HydrophobicContact CG2-CE1 4.35Å; T615-F833 HydrophobicContact CG2-CZ 4.1Å; R780-F833 WeakPolarHBondContact CG-O 3.29Å; R780-F833 VanDerWaalsContact NE-C 3.31Å; R780-F833 PolarHBondContact NE-O 3.26Å; V809-F833 HydrophobicContact CB-CD2 3.8Å; V809-F833 HydrophobicContact CB-CE2 4Å; V809-F833 HydrophobicContact CG1-CB 4.29Å; V809-F833 HydrophobicContact CG1-CD2 3.25Å; V809-F833 HydrophobicContact CG1-CE2 3.81Å; V809-F833 HydrophobicContact CG1-CG 4.13Å; V809-F833 HydrophobicContact CG2-CD2 3.54Å; V809-F833 HydrophobicContact CG2-CE2 3.81Å | ||
| 834 | E | 40.3 | Very low | 49.4 | Very low | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | trans | -143 | 105.7 | 153.7 | -170.7 | 177.7 | -156.6 | 0 | 0 | 102 | R780 N836 | R780-E834 VanDerWaalsContact CZ-N 3.31Å; R780-E834 VanDerWaalsContact NH1-CB 3.26Å; R780-E834 IonicContact NH1-OE2 3.59Å; R780-E834 PolarHBondContact NH1-OE2 3.02Å; E834-N836 PolarHBondContact O-N 2.9Å | ||
| 835 | D | 37 | Very low | 47.9 | Very low | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | trans | -91.7 | 107.9 | -168.3 | -149.5 | -35.3 | 0 | 0 | 0 | 110.6 | K845 | D835-K845 VanDerWaalsContact OD2-CA 3.22Å; D835-K845 WeakPolarHBondContact OD2-CA 3.36Å; D835-K845 VanDerWaalsContact OD2-CB 3.27Å; D835-K845 WeakPolarHBondContact OD2-CB 3.44Å; D835-K845 PolarHBondContact OD2-N 2.91Å | ||
| 836 | N | 30.6 | Very low | 46 | Very low | 134 Ų | 134 | 54.5 Ų | 54.5 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | trans | -139.8 | 99.2 | 160.6 | -96.1 | -14.8 | 0 | 0 | 0 | 106.7 | E834 | E834-N836 PolarHBondContact O-N 2.9Š| ||
| 837 | Q | 33.7 | Very low | 44.7 | Very low | 173 Ų | 173 | 56.4 Ų | 56.4 | 81% | 0.808 | 33% | 0.328 | S | S | * | . | 163.9 | 150.5 | 128.9 | -88.9 | -175.4 | 13 | 0 | 0 | 113.7 | A839 | Q837-A839 PolarHBondContact O-N 2.54Š| |||
| 838 | N | 31.3 | Very low | 43.8 | Very low | 161 Ų | 161 | 58.8 Ų | 58.8 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | trans | -51.3 | 80.9 | 178 | -59.9 | -29.9 | 0 | 0 | 0 | 115 | D840 | N838-D840 PolarHBondContact O-N 3.47Š| ||
| 839 | A | 31.5 | Very low | 43.4 | Very low | 41 Ų | 41 | 59.1 Ų | 59.1 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | trans | -80.1 | 111.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q837 G841 A842 | Q837-A839 PolarHBondContact O-N 2.54Å; A839-G841 PolarHBondContact O-N 2.79Å; A839-A842 HydrophobicContact CB-CB 4.28Å; A839-A842 PolarHBondContact O-N 2.59Å | ||
| 840 | D | 34.6 | Very low | 43 | Very low | 167 Ų | 167 | 59.7 Ų | 59.7 | 89% | 0.893 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.1 | 99.8 | -179.5 | -76.8 | -38 | 0 | 0 | 0 | 112.2 | N838 | N838-D840 PolarHBondContact O-N 3.47Š|
| 841 | G | 37.2 | Very low | 43.2 | Very low | 42 Ų | 42 | 57.8 Ų | 57.8 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -9.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | A839 V843 | A839-G841 PolarHBondContact O-N 2.79Å; G841-V843 PolarHBondContact O-N 3.39Å |
| 842 | A | 36.3 | Very low | 43.5 | Very low | 63 Ų | 63 | 57.7 Ų | 57.7 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | trans | -92 | 103.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A839 S844 | A839-A842 HydrophobicContact CB-CB 4.28Å; A839-A842 PolarHBondContact O-N 2.59Å; A842-S844 PolarHBondContact O-N 2.98Å | ||
| 843 | V | 36.5 | Very low | 44 | Very low | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -45 | 122.5 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | T312 G841 K845 | T312-V843 HydrophobicContact CG2-CG1 4.35Å; T312-V843 HydrophobicContact CG2-CG2 3.98Å; G841-V843 PolarHBondContact O-N 3.39Å; V843-K845 PolarHBondContact O-N 3.23Å; V843-K845 VanDerWaalsContact O-N 3.1Å | ||
| 844 | S | 36.5 | Very low | 44.8 | Very low | 37 Ų | 37 | 56.6 Ų | 56.6 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | trans | -50.6 | 112.2 | 174.5 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | A842 S846 | A842-S844 PolarHBondContact O-N 2.98Å; S844-S846 PolarHBondContact O-N 3.28Å | ||
| 845 | K | 47 | Very low | 46.5 | Very low | 57 Ų | 57 | 53.2 Ų | 53.2 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | trans | -78.5 | 45.3 | 177.7 | -58.6 | 176.5 | -179.8 | 166.7 | 0 | 112.5 | F617 D835 V843 E847 | F617-K845 VanDerWaalsContact CE2-NZ 3.28Å; D835-K845 VanDerWaalsContact OD2-CA 3.22Å; D835-K845 WeakPolarHBondContact OD2-CA 3.36Å; D835-K845 VanDerWaalsContact OD2-CB 3.27Å; D835-K845 WeakPolarHBondContact OD2-CB 3.44Å; D835-K845 PolarHBondContact OD2-N 2.91Å; V843-K845 PolarHBondContact O-N 3.23Å; V843-K845 VanDerWaalsContact O-N 3.1Å; K845-E847 PolarHBondContact O-N 3.31Å | ||
| 846 | S | 41.3 | Very low | 48.4 | Very low | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | trans | -75.8 | 54.2 | 169.3 | 56.6 | 0 | 0 | 0 | 0 | 111 | P777 S844 | P777-S846 VanDerWaalsContact CG-C 3.4Å; P777-S846 WeakPolarHBondContact CG-O 3.22Å; S844-S846 PolarHBondContact O-N 3.28Å | ||
| 847 | E | 47 | Very low | 50.7 | Low | 41 Ų | 41 | 45.7 Ų | 45.7 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | trans | -111.4 | 138.4 | -170.9 | -43.5 | -159.6 | 133.3 | 0 | 0 | 114.3 | R360 R406 P777 K845 | R360-E847 IonicContact CZ-OE2 3.73Å; R360-E847 IonicContact NH1-OE1 2.86Å; R360-E847 PolarHBondContact NH1-OE1 2.86Å; R360-E847 IonicContact NH1-OE2 2.79Å; R360-E847 PolarHBondContact NH1-OE2 3.43Å; R406-E847 IonicContact CZ-OE1 3.84Å; R406-E847 VanDerWaalsContact CZ-OE1 3.3Å; R406-E847 IonicContact NE-OE1 3.89Å; R406-E847 IonicContact NH1-OE1 3.37Å; R406-E847 PolarHBondContact NH1-OE1 3.05Å; R406-E847 IonicContact NH2-OE1 2.73Å; P777-E847 WeakPolarHBondContact CB-O 3.44Å; K845-E847 PolarHBondContact O-N 3.31Å | ||
| 848 | P | 50.4 | Low | 52.8 | Low | 72 Ų | 72 | 39.5 Ų | 39.5 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 137.5 | 171.2 | 25.4 | -30.9 | 0 | 0 | 0 | 110.6 | V774 I775 | V774-P848 HydrophobicContact CG1-CB 3.76Å; I775-P848 CarbonylContact O-C 3.57Å; I775-P848 WeakPolarHBondContact O-CA 3.38Å; I775-P848 WeakPolarHBondContact O-CB 3.31Å |
| 849 | T | 56.1 | Low | 54.9 | Low | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.2 | -176.9 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | V774 I775 V809 M810 | V774-T849 WeakPolarHBondContact CA-O 3.5Å; I775-T849 PolarHBondContact N-O 2.64Å; I775-T849 PolarHBondContact O-N 2.47Å; V809-T849 HydrophobicContact CB-CG2 4.08Å; V809-T849 WeakPolarHBondContact CB-OG1 3.42Å; V809-T849 HydrophobicContact CG2-CG2 4.37Å; V809-T849 WeakPolarHBondContact CG2-OG1 3.39Å; M810-T849 HydrophobicContact CG-CG2 3.99Å |
| 850 | S | 56.5 | Low | 56.8 | Low | 27 Ų | 27 | 30.6 Ų | 30.6 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.6 | 173.5 | 65 | 0 | 0 | 0 | 0 | 110.9 | V773 G807 | V773-S850 CarbonylContact O-C 3.57Å; V773-S850 VanDerWaalsContact O-CA 3.27Å; V773-S850 WeakPolarHBondContact O-CA 3.5Å; G807-S850 PolarHBondContact N-O 3.23Å |
| 851 | I | 62.4 | Low | 58.4 | Low | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.5 | 169.7 | -58.2 | 118.8 | 0 | 0 | 0 | 108 | S772 V773 I775 D805 T806 M810 I828 I853 | S772-I851 CarbonylContact C-O 3.56Å; S772-I851 WeakPolarHBondContact CA-O 3.17Å; V773-I851 HydrophobicContact CB-CB 4.48Å; V773-I851 PolarHBondContact N-O 2.95Å; V773-I851 PolarHBondContact O-N 3.36Å; I775-I851 HydrophobicContact CD1-CD1 3.43Å; I775-I851 VanDerWaalsContact CD1-CD1 3.43Å; I775-I851 HydrophobicContact CG1-CD1 3.99Å; D805-I851 CarbonylContact O-C 3.51Å; D805-I851 VanDerWaalsContact O-CA 3.31Å; D805-I851 WeakPolarHBondContact O-CA 3.39Å; T806-I851 WeakPolarHBondContact O-CG1 2.99Å; M810-I851 HydrophobicContact CG-CD1 4.06Å; M810-I851 HydrophobicContact CG-CG1 4.21Å; M810-I851 HydrophobicContact SD-CD1 3.56Å; M810-I851 VanDerWaalsContact SD-CD1 3.56Å; M810-I851 HydrophobicContact SD-CG1 4.18Å; I828-I851 HydrophobicContact CD1-CD1 4.44Å; I828-I851 HydrophobicContact CG2-CD1 3.73Å; I828-I851 HydrophobicContact CG2-CG1 3.99Å; I828-I851 HydrophobicContact CG2-CG2 4.33Å; I851-I853 HydrophobicContact CG2-CD1 3.73Å; I851-I853 HydrophobicContact CG2-CG1 3.95Å |
| 852 | N | 61.9 | Low | 59.8 | Low | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.4 | 179.3 | -65.3 | -59.8 | 0 | 0 | 0 | 109.8 | V318 A771 S772 L804 D805 | V318-N852 WeakPolarHBondContact CG1-ND2 3.48Å; A771-N852 WeakPolarHBondContact O-CA 3.3Å; S772-N852 VanDerWaalsContact CB-OD1 3.23Å; S772-N852 WeakPolarHBondContact CB-OD1 3.26Å; S772-N852 PolarHBondContact OG-OD1 3.48Å; L804-N852 HydrophobicContact CB-CB 4.04Å; L804-N852 WeakPolarHBondContact CB-O 3.29Å; L804-N852 HydrophobicContact CD1-CB 4.46Å; L804-N852 PolarHBondContact N-O 2.86Å; D805-N852 HydrophobicContact CB-CB 4.23Å; D805-N852 PolarHBondContact N-O 2.71Å; D805-N852 PolarHBondContact O-N 2.91Å |
| 853 | I | 66.1 | Low | 61.3 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.2 | -176.4 | -63.4 | 165.3 | 0 | 0 | 0 | 108.4 | M770 A771 M785 Q801 V826 I851 I855 | M770-I853 WeakPolarHBondContact CA-O 3.38Å; A771-I853 PolarHBondContact N-O 2.92Å; A771-I853 PolarHBondContact O-N 3.46Å; M785-I853 HydrophobicContact CE-CB 3.95Å; M785-I853 HydrophobicContact CE-CD1 3.24Å; M785-I853 HydrophobicContact CE-CG1 4.17Å; M785-I853 HydrophobicContact CE-CG2 4.05Å; M785-I853 HydrophobicContact SD-CD1 3.99Å; Q801-I853 HydrophobicContact CB-CG2 3.66Å; Q801-I853 HydrophobicContact CG-CG2 4.04Å; V826-I853 HydrophobicContact CB-CD1 4.38Å; V826-I853 HydrophobicContact CG1-CD1 3.78Å; V826-I853 HydrophobicContact CG2-CD1 4.39Å; I851-I853 HydrophobicContact CG2-CD1 3.73Å; I851-I853 HydrophobicContact CG2-CG1 3.95Å; I853-I855 HydrophobicContact CG2-CD1 4.42Å; I853-I855 HydrophobicContact CG2-CG1 3.95Å |
| 854 | M | 67.7 | Low | 62.6 | Low | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124 | 172.2 | -79.8 | 168.6 | 64 | 0 | 0 | 109.7 | L752 I768 Q801 K802 L804 Y971 W973 | L752-M854 HydrophobicContact CD1-CG 4.45Å; L752-M854 HydrophobicContact CD2-CE 4.12Å; L752-M854 HydrophobicContact CD2-SD 4.34Å; I768-M854 HydrophobicContact CD1-CE 3.98Å; I768-M854 HydrophobicContact CG2-CB 4.02Å; I768-M854 HydrophobicContact CG2-CE 3.88Å; I768-M854 HydrophobicContact CG2-CG 4.05Å; Q801-M854 CarbonylContact C-O 3.52Å; Q801-M854 WeakPolarHBondContact CA-O 3.22Å; Q801-M854 VanDerWaalsContact CB-O 3.31Å; Q801-M854 WeakPolarHBondContact CB-O 3.25Å; K802-M854 PolarHBondContact N-O 3Å; K802-M854 PolarHBondContact O-N 3.32Å; L804-M854 HydrophobicContact CD1-CG 3.42Å; L804-M854 VanDerWaalsContact CD1-CG 3.42Å; L804-M854 HydrophobicContact CD1-SD 3.56Å; L804-M854 VanDerWaalsContact CD1-SD 3.56Å; L804-M854 HydrophobicContact CD2-CG 4.38Å; L804-M854 HydrophobicContact CD2-SD 3.5Å; L804-M854 VanDerWaalsContact CD2-SD 3.5Å; L804-M854 HydrophobicContact CG-CG 3.73Å; L804-M854 HydrophobicContact CG-SD 3.53Å; L804-M854 VanDerWaalsContact CG-SD 3.53Å; M854-Y971 HydrophobicContact CE-CD1 3.37Å; M854-Y971 HydrophobicContact CE-CE1 3.34Å; M854-Y971 HydrophobicContact SD-CE1 4.02Å; M854-W973 HydrophobicContact CE-CH2 3.74Å; M854-W973 HydrophobicContact CE-CZ2 4.47Å |
| 855 | I | 75.1 | Confident | 64.2 | Low | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 98.7 | -177.8 | -59.8 | 174.1 | 0 | 0 | 0 | 107.3 | I769 A771 M785 I787 F798 Q801 V824 I853 | I769-I855 PolarHBondContact N-O 3.43Å; I769-I855 PolarHBondContact O-N 3.25Å; A771-I855 HydrophobicContact CB-CD1 3.83Å; M785-I855 HydrophobicContact CE-CD1 4.17Å; I787-I855 HydrophobicContact CD1-CD1 3Å; I787-I855 HydrophobicContact CG1-CD1 4.39Å; F798-I855 HydrophobicContact CD1-CG2 3.67Å; F798-I855 HydrophobicContact CE1-CG2 4.03Å; Q801-I855 HydrophobicContact CB-CG1 4.15Å; V824-I855 HydrophobicContact CG1-CD1 4.36Å; V824-I855 HydrophobicContact CG2-CG2 3.9Å; I853-I855 HydrophobicContact CG2-CD1 4.42Å; I853-I855 HydrophobicContact CG2-CG1 3.95Å |
| 856 | P | 76.5 | Confident | 65.5 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 143.7 | 171.8 | 31.7 | -39.9 | 0 | 0 | 0 | 111.2 | F766 S767 F799 D800 W973 | F766-P856 HydrophobicContact CE1-CB 4.16Å; F766-P856 HydrophobicContact CE2-CB 3.62Å; F766-P856 HydrophobicContact CZ-CB 3.26Å; F766-P856 HydrophobicContact CZ-CG 4.4Å; S767-P856 CarbonylContact O-C 3.59Å; S767-P856 WeakPolarHBondContact O-CA 3.31Å; F799-P856 HydrophobicContact CB-CB 4.2Å; F799-P856 HydrophobicContact CB-CG 3.58Å; F799-P856 HydrophobicContact CD2-CB 4.24Å; F799-P856 HydrophobicContact CD2-CG 4.46Å; F799-P856 HydrophobicContact CG-CG 4.44Å; F799-P856 PolarHBondContact N-O 2.73Å; D800-P856 WeakPolarHBondContact O-CG 3.41Å; P856-W973 HydrophobicContact CB-CD2 4.17Å; P856-W973 HydrophobicContact CB-CH2 4.16Å; P856-W973 HydrophobicContact CB-CZ2 3.86Å; P856-W973 HydrophobicContact CB-CZ3 4.5Å; P856-W973 HydrophobicContact CG-CD2 4.21Å; P856-W973 HydrophobicContact CG-CG 4.5Å; P856-W973 HydrophobicContact CG-CH2 4.49Å; P856-W973 HydrophobicContact CG-CZ2 3.71Å |
| 857 | L | 78.7 | Confident | 67.2 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147 | 171.6 | 70.2 | 105.6 | 0 | 0 | 0 | 111.3 | L761 S767 I769 V796 H797 F798 V859 | L761-L857 HydrophobicContact CD1-CD1 4.37Å; S767-L857 PolarHBondContact N-O 2.84Å; S767-L857 PolarHBondContact O-N 2.9Å; I769-L857 HydrophobicContact CB-CD2 4.21Å; I769-L857 HydrophobicContact CD1-CD2 3.17Å; I769-L857 HydrophobicContact CG1-CD2 3.47Å; I769-L857 VanDerWaalsContact CG1-CD2 3.47Å; V796-L857 HydrophobicContact CG1-CD1 4.23Å; H797-L857 CarbonylContact O-C 3.46Å; H797-L857 VanDerWaalsContact O-CA 3.26Å; H797-L857 WeakPolarHBondContact O-CA 3.16Å; F798-L857 HydrophobicContact CD1-CB 3.77Å; F798-L857 HydrophobicContact CE1-CB 4.03Å; F798-L857 HydrophobicContact CE1-CD2 4.12Å; L857-V859 HydrophobicContact CD1-CG2 3.37Å |
| 858 | N | 78.5 | Confident | 68.8 | Low | 43 Ų | 43 | 36.5 Ų | 36.5 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.5 | 171.6 | -171.8 | 24.1 | 0 | 0 | 0 | 108.9 | S765 V796 H797 F799 | S765-N858 PolarHBondContact O-OD1 2.81Å; V796-N858 WeakPolarHBondContact CA-O 3.39Å; H797-N858 PolarHBondContact N-O 3.44Å; H797-N858 PolarHBondContact O-N 2.91Å; F799-N858 HydrophobicContact CE2-CB 3.7Å; F799-N858 HydrophobicContact CZ-CB 4.04Å |
| 859 | V | 75.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.9 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | L761 D764 L857 V863 I867 I888 | L761-V859 HydrophobicContact CB-CG2 4.15Å; L761-V859 HydrophobicContact CD1-CG2 4.46Å; D764-V859 WeakPolarHBondContact CA-O 3.18Å; D764-V859 PolarHBondContact N-O 3.01Å; L857-V859 HydrophobicContact CD1-CG2 3.37Å; V859-V863 HydrophobicContact CG1-CB 3.9Å; V859-V863 HydrophobicContact CG1-CG1 4.45Å; V859-V863 HydrophobicContact CG1-CG2 4.02Å; V859-I867 HydrophobicContact CB-CD1 4.19Å; V859-I867 HydrophobicContact CG1-CD1 3.72Å; V859-I867 HydrophobicContact CG2-CD1 3.43Å; V859-I867 VanDerWaalsContact CG2-CD1 3.43Å; V859-I888 HydrophobicContact CG1-CD1 4.02Å |
| 860 | G | 70.7 | Confident | 71.6 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | trans | -70.9 | 148.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E795 R862 V863 | E795-G860 PolarHBondContact O-N 3.07Å; G860-R862 PolarHBondContact O-N 2.81Å; G860-V863 PolarHBondContact O-N 2.86Å; G860-V863 VanDerWaalsContact O-N 3.13Å | ||
| 861 | S | 68.4 | Low | 72.8 | Confident | 80 Ų | 80 | 34.2 Ų | 34.2 | 56% | 0.559 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -22.4 | 177.5 | 44.4 | 0 | 0 | 0 | 0 | 117.2 | D764 V863 | D764-S861 WeakPolarHBondContact OD1-CB 3.3Å; D764-S861 PolarHBondContact OD1-N 2.75Å; D764-S861 WeakPolarHBondContact OD2-CB 3.37Å; S861-V863 VanDerWaalsContact C-N 3.27Å; S861-V863 PolarHBondContact O-N 3.18Å |
| 862 | R | 67.6 | Low | 73.8 | Confident | 208 Ų | 208 | 34.2 Ų | 34.2 | 79% | 0.785 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.9 | -179.7 | -66 | -173.8 | -178.7 | -168.7 | 0.5 | 114 | G860 S864 | G860-R862 PolarHBondContact O-N 2.81Å; R862-S864 PolarHBondContact O-N 3.2Å |
| 863 | V | 68 | Low | 74.6 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | trans | -83.8 | 105 | -178.8 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | E795 V859 G860 S861 I867 I888 | E795-V863 HydrophobicContact CB-CG2 3.71Å; E795-V863 HydrophobicContact CG-CG2 4.35Å; V859-V863 HydrophobicContact CG1-CB 3.9Å; V859-V863 HydrophobicContact CG1-CG1 4.45Å; V859-V863 HydrophobicContact CG1-CG2 4.02Å; G860-V863 PolarHBondContact O-N 2.86Å; G860-V863 VanDerWaalsContact O-N 3.13Å; S861-V863 VanDerWaalsContact C-N 3.27Å; S861-V863 PolarHBondContact O-N 3.18Å; V863-I867 HydrophobicContact CG1-CD1 4.31Å; V863-I867 HydrophobicContact CG1-CG1 3.71Å; V863-I888 HydrophobicContact CB-CG1 4.42Å; V863-I888 HydrophobicContact CG1-CD1 4.2Å; V863-I888 HydrophobicContact CG1-CG1 3.74Å | ||
| 864 | S | 62.6 | Low | 75 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 64% | 0.636 | 19% | 0.194 | S | C | * | . | trans | -92.6 | -28.8 | -171.6 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | R862 | R862-S864 PolarHBondContact O-N 3.2Š| ||
| 865 | N | 70.4 | Confident | 75 | Confident | 120 Ų | 120 | 36.6 Ų | 36.6 | 64% | 0.642 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -119.7 | -65.2 | -165.7 | -63.3 | 0.6 | 0 | 0 | 0 | 113.2 | I888 | N865-I888 PolarHBondContact O-N 2.93Š|
| 866 | S | 74.7 | Confident | 74.5 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158.4 | -176.1 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | K791 F886 | K791-S866 VanDerWaalsContact CE-O 3.27Å; K791-S866 WeakPolarHBondContact CE-O 3.48Å; S866-F886 CarbonylContact C-O 3.57Å; S866-F886 WeakPolarHBondContact CA-O 3.41Å; S866-F886 WeakPolarHBondContact CB-O 3.34Å |
| 867 | I | 76.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.1 | 168.9 | -63.1 | 170.4 | 0 | 0 | 0 | 107.8 | L761 K791 V796 V859 V863 L869 F886 I888 | L761-I867 HydrophobicContact CD1-CB 4.36Å; L761-I867 HydrophobicContact CD1-CD1 3.77Å; K791-I867 HydrophobicContact CG-CG2 4.43Å; V796-I867 HydrophobicContact CG2-CD1 3.67Å; V796-I867 HydrophobicContact CG2-CG1 4.03Å; V796-I867 HydrophobicContact CG2-CG2 4.12Å; V859-I867 HydrophobicContact CB-CD1 4.19Å; V859-I867 HydrophobicContact CG1-CD1 3.72Å; V859-I867 HydrophobicContact CG2-CD1 3.43Å; V859-I867 VanDerWaalsContact CG2-CD1 3.43Å; V863-I867 HydrophobicContact CG1-CD1 4.31Å; V863-I867 HydrophobicContact CG1-CG1 3.71Å; I867-L869 HydrophobicContact CG2-CD2 3.71Å; I867-L869 HydrophobicContact CG2-CG 3.93Å; I867-F886 PolarHBondContact N-O 2.89Å; I867-F886 PolarHBondContact O-N 2.82Å; I867-I888 HydrophobicContact CD1-CD1 3.69Å; I867-I888 HydrophobicContact CG1-CD1 3.87Å |
| 868 | D | 81 | Confident | 73.4 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.6 | 172.4 | -50.3 | -32.2 | 0 | 0 | 0 | 107.7 | T789 M885 | T789-D868 WeakPolarHBondContact CA-O 3.44Å; T789-D868 PolarHBondContact OG1-O 2.78Å; D868-M885 WeakPolarHBondContact OD1-CG 3.32Å |
| 869 | L | 82.3 | Confident | 73.5 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.4 | 174 | -64 | -174 | 0 | 0 | 0 | 109.3 | L749 I769 E788 F798 I867 F884 F886 | L749-L869 HydrophobicContact CD1-CB 3.76Å; L749-L869 HydrophobicContact CD1-CD1 4.33Å; I769-L869 HydrophobicContact CD1-CD1 3.1Å; E788-L869 WeakPolarHBondContact O-CA 3.44Å; F798-L869 HydrophobicContact CZ-CD2 3.81Å; I867-L869 HydrophobicContact CG2-CD2 3.71Å; I867-L869 HydrophobicContact CG2-CG 3.93Å; L869-F884 PolarHBondContact N-O 2.99Å; L869-F884 PolarHBondContact O-N 2.82Å; L869-F884 VanDerWaalsContact O-O 3.04Å; L869-F886 HydrophobicContact CB-CD2 4.48Å; L869-F886 HydrophobicContact CB-CE2 4.39Å; L869-F886 HydrophobicContact CD1-CD2 3.82Å; L869-F886 HydrophobicContact CD1-CE2 3.75Å; L869-F886 HydrophobicContact CG-CD2 4.14Å; L869-F886 HydrophobicContact CG-CE2 4.33Å |
| 870 | K | 83.1 | Confident | 73.7 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117 | 179.3 | -170.8 | 178.8 | 173.5 | -170.4 | 0 | 109 | I787 E788 I872 E881 | I787-K870 WeakPolarHBondContact CA-O 3.49Å; E788-K870 HydrophobicContact CG-CB 3.88Å; E788-K870 HydrophobicContact CG-CD 4.35Å; E788-K870 PolarHBondContact N-O 3Å; E788-K870 PolarHBondContact O-N 2.89Å; E788-K870 WeakPolarHBondContact OE1-CD 3.28Å; E788-K870 IonicContact OE1-NZ 3.01Å; K870-I872 HydrophobicContact CD-CD1 4.28Å; K870-I872 HydrophobicContact CD-CG1 4.32Å; K870-I872 HydrophobicContact CG-CD1 4.48Å; K870-I872 HydrophobicContact CG-CG1 4.06Å; K870-E881 WeakPolarHBondContact CE-OE1 3.4Å; K870-E881 WeakPolarHBondContact CE-OE2 3.36Å; K870-E881 IonicContact NZ-OE1 3.24Å; K870-E881 PolarHBondContact NZ-OE1 2.66Å; K870-E881 IonicContact NZ-OE2 3.08Å; K870-E881 PolarHBondContact NZ-OE2 2.7Å |
| 871 | L | 81.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120 | 170.8 | 175.2 | 63.4 | 0 | 0 | 0 | 108.1 | L749 M785 I787 L873 L882 F884 | L749-L871 HydrophobicContact CD1-CB 4.11Å; L749-L871 HydrophobicContact CD2-CB 4.35Å; L749-L871 HydrophobicContact CD2-CD2 4.34Å; L749-L871 HydrophobicContact CG-CB 4.08Å; L749-L871 HydrophobicContact CG-CD2 4.48Å; M785-L871 HydrophobicContact CB-CD1 4.13Å; M785-L871 HydrophobicContact SD-CD1 4.14Å; I787-L871 HydrophobicContact CD1-CD1 3.87Å; I787-L871 HydrophobicContact CG1-CB 4.39Å; I787-L871 HydrophobicContact CG1-CD1 3.5Å; L871-L873 HydrophobicContact CD1-CD2 3.94Å; L871-L873 HydrophobicContact CD2-CD2 4.35Å; L871-L873 HydrophobicContact CG-CD2 4.09Å; L871-L873 HydrophobicContact CG-CG 4.29Å; L871-L882 HydrophobicContact CB-CB 4.34Å; L871-L882 HydrophobicContact CD2-CD1 4.35Å; L871-L882 PolarHBondContact N-O 3.38Å; L871-L882 PolarHBondContact O-N 3.23Å; L871-F884 HydrophobicContact CB-CD2 4.34Å; L871-F884 HydrophobicContact CB-CE2 3.95Å; L871-F884 HydrophobicContact CD2-CE2 4.41Å |
| 872 | I | 82.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.4 | 177.4 | -60.6 | 171.9 | 0 | 0 | 0 | 107 | M785 K786 E788 K870 F874 K879 Y880 E881 | M785-I872 CarbonylContact C-O 3.59Å; M785-I872 VanDerWaalsContact CA-O 3.24Å; M785-I872 WeakPolarHBondContact CA-O 3.44Å; K786-I872 HydrophobicContact CB-CB 4.2Å; K786-I872 HydrophobicContact CD-CD1 4.13Å; K786-I872 PolarHBondContact N-O 2.62Å; K786-I872 PolarHBondContact O-N 3.23Å; E788-I872 VanDerWaalsContact CD-CD1 3.48Å; E788-I872 HydrophobicContact CG-CD1 4.11Å; E788-I872 VanDerWaalsContact OE1-CD1 3.32Å; E788-I872 WeakPolarHBondContact OE1-CD1 3.41Å; K870-I872 HydrophobicContact CD-CD1 4.28Å; K870-I872 HydrophobicContact CD-CG1 4.32Å; K870-I872 HydrophobicContact CG-CD1 4.48Å; K870-I872 HydrophobicContact CG-CG1 4.06Å; I872-F874 HydrophobicContact CB-CE2 4.36Å; I872-F874 HydrophobicContact CG2-CD1 4.48Å; I872-F874 HydrophobicContact CG2-CD2 4.19Å; I872-F874 HydrophobicContact CG2-CE1 3.93Å; I872-F874 HydrophobicContact CG2-CE2 3.59Å; I872-F874 HydrophobicContact CG2-CZ 3.45Å; I872-F874 VanDerWaalsContact CG2-CZ 3.45Å; I872-K879 HydrophobicContact CG2-CD 4.05Å; I872-K879 HydrophobicContact CG2-CG 3.53Å; I872-Y880 CarbonylContact C-O 3.59Å; I872-Y880 WeakPolarHBondContact CA-O 3.06Å; I872-E881 HydrophobicContact CG1-CG 4.21Å |
| 873 | L | 79.2 | Confident | 75.2 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.6 | 172.7 | -53.1 | 172.6 | 0 | 0 | 0 | 108.3 | P745 V773 M785 L871 Y880 L882 | P745-L873 HydrophobicContact CB-CD1 4Å; P745-L873 HydrophobicContact CG-CB 4.41Å; P745-L873 HydrophobicContact CG-CD1 4.1Å; V773-L873 HydrophobicContact CB-CD2 4.39Å; V773-L873 HydrophobicContact CG1-CD1 3.79Å; V773-L873 HydrophobicContact CG1-CD2 3.82Å; V773-L873 HydrophobicContact CG1-CG 4.46Å; V773-L873 HydrophobicContact CG2-CD2 3.6Å; M785-L873 HydrophobicContact CB-CD2 3.55Å; L871-L873 HydrophobicContact CD1-CD2 3.94Å; L871-L873 HydrophobicContact CD2-CD2 4.35Å; L871-L873 HydrophobicContact CG-CD2 4.09Å; L871-L873 HydrophobicContact CG-CG 4.29Å; L873-Y880 PolarHBondContact N-O 2.8Å; L873-Y880 PolarHBondContact O-N 3.01Å; L873-L882 HydrophobicContact CD1-CD1 4.14Å |
| 874 | F | 74.8 | Confident | 75.6 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 25% | 0.25 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.1 | 171.4 | -56.9 | -87.5 | 0 | 0 | 0 | 108 | Y783 S784 K786 I872 E878 K879 | Y783-F874 VanDerWaalsContact CA-O 3.26Å; Y783-F874 WeakPolarHBondContact CA-O 3.44Å; S784-F874 PolarHBondContact N-O 3.15Å; S784-F874 PolarHBondContact O-N 3.2Å; S784-F874 WeakPolarHBondContact OG-CB 3.26Å; S784-F874 WeakPolarHBondContact OG-CD2 3.49Å; K786-F874 HydrophobicContact CB-CE2 3.76Å; I872-F874 HydrophobicContact CB-CE2 4.36Å; I872-F874 HydrophobicContact CG2-CD1 4.48Å; I872-F874 HydrophobicContact CG2-CD2 4.19Å; I872-F874 HydrophobicContact CG2-CE1 3.93Å; I872-F874 HydrophobicContact CG2-CE2 3.59Å; I872-F874 HydrophobicContact CG2-CZ 3.45Å; I872-F874 VanDerWaalsContact CG2-CZ 3.45Å; F874-E878 WeakPolarHBondContact CA-O 3.25Å; F874-K879 HydrophobicContact CD1-CB 4.36Å; F874-K879 HydrophobicContact CD1-CG 4.14Å; F874-K879 HydrophobicContact CE1-CB 4.43Å; F874-K879 HydrophobicContact CE1-CD 4.15Å; F874-K879 HydrophobicContact CE1-CG 3.85Å |
| 875 | G | 67.7 | Low | 76.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q781 K877 E878 | Q781-G875 PolarHBondContact OE1-O 3.35Å; G875-K877 PolarHBondContact O-N 2.84Å; G875-E878 PolarHBondContact N-O 2.97Å; G875-E878 VanDerWaalsContact N-O 3.1Å; G875-E878 PolarHBondContact O-N 3.21Å |
| 876 | G | 64.9 | Low | 76.5 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -114.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R782 | R782-G876 PolarHBondContact O-N 3.41Š|
| 877 | K | 62.4 | Low | 76.3 | Confident | 191 Ų | 191 | 52.7 Ų | 52.7 | 83% | 0.83 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -7.2 | 174.8 | -68.1 | -174.2 | -179.8 | 179 | 0 | 113.5 | G875 | G875-K877 PolarHBondContact O-N 2.84Š|
| 878 | E | 69.2 | Low | 76.1 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 150.6 | -175.7 | -64.5 | -172.7 | 133.7 | 0 | 0 | 112 | E738 L739 F874 G875 Y880 | E738-E878 WeakPolarHBondContact CA-OE1 3.37Å; E738-E878 WeakPolarHBondContact CB-OE1 3.33Å; E738-E878 WeakPolarHBondContact CG-OE1 3.49Å; L739-E878 PolarHBondContact N-OE2 3.45Å; F874-E878 WeakPolarHBondContact CA-O 3.25Å; G875-E878 PolarHBondContact N-O 2.97Å; G875-E878 VanDerWaalsContact N-O 3.1Å; G875-E878 PolarHBondContact O-N 3.21Å; E878-Y880 HydrophobicContact CB-CE2 3.81Å; E878-Y880 PolarHBondContact OE2-OH 3.46Å |
| 879 | K | 79.9 | Confident | 75.3 | Confident | 106 Ų | 106 | 51 Ų | 51 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.5 | -178 | -172.8 | -169 | -169.4 | -168.3 | 0 | 109.4 | I872 F874 E881 | I872-K879 HydrophobicContact CG2-CD 4.05Å; I872-K879 HydrophobicContact CG2-CG 3.53Å; F874-K879 HydrophobicContact CD1-CB 4.36Å; F874-K879 HydrophobicContact CD1-CG 4.14Å; F874-K879 HydrophobicContact CE1-CB 4.43Å; F874-K879 HydrophobicContact CE1-CD 4.15Å; F874-K879 HydrophobicContact CE1-CG 3.85Å; K879-E881 HydrophobicContact CD-CG 4.15Å; K879-E881 WeakPolarHBondContact CE-OE1 3.42Å; K879-E881 HydrophobicContact CG-CG 4.16Å; K879-E881 IonicContact NZ-OE1 2.96Å; K879-E881 PolarHBondContact NZ-OE1 3.33Å |
| 880 | Y | 79 | Confident | 74.2 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.2 | 178.8 | -58.2 | -85.3 | 0 | 0 | 0 | 109.3 | L739 Q744 P745 I872 L873 E878 | L739-Y880 WeakPolarHBondContact CB-OH 3.32Å; L739-Y880 HydrophobicContact CD1-CE2 4.37Å; Q744-Y880 HydrophobicContact CB-CD1 4.48Å; Q744-Y880 HydrophobicContact CB-CE1 3.92Å; Q744-Y880 HydrophobicContact CG-CE1 3.61Å; P745-Y880 HydrophobicContact CG-CD2 3.75Å; P745-Y880 HydrophobicContact CG-CE2 4Å; P745-Y880 HydrophobicContact CG-CG 4.16Å; I872-Y880 CarbonylContact C-O 3.59Å; I872-Y880 WeakPolarHBondContact CA-O 3.06Å; L873-Y880 PolarHBondContact N-O 2.8Å; L873-Y880 PolarHBondContact O-N 3.01Å; E878-Y880 HydrophobicContact CB-CE2 3.81Å; E878-Y880 PolarHBondContact OE2-OH 3.46Å |
| 881 | E | 81.1 | Confident | 72.9 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.4 | -176.1 | -56.8 | -166.8 | 145.8 | 0 | 0 | 111.3 | K870 I872 K879 | K870-E881 WeakPolarHBondContact CE-OE1 3.4Å; K870-E881 WeakPolarHBondContact CE-OE2 3.36Å; K870-E881 IonicContact NZ-OE1 3.24Å; K870-E881 PolarHBondContact NZ-OE1 2.66Å; K870-E881 IonicContact NZ-OE2 3.08Å; K870-E881 PolarHBondContact NZ-OE2 2.7Å; I872-E881 HydrophobicContact CG1-CG 4.21Å; K879-E881 HydrophobicContact CD-CG 4.15Å; K879-E881 WeakPolarHBondContact CE-OE1 3.42Å; K879-E881 HydrophobicContact CG-CG 4.16Å; K879-E881 IonicContact NZ-OE1 2.96Å; K879-E881 PolarHBondContact NZ-OE1 3.33Å |
| 882 | L | 78.6 | Confident | 71.3 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 101.8 | -176.5 | -65.7 | 156.8 | 0 | 0 | 0 | 108.6 | G747 L871 L873 F884 | G747-L882 VanDerWaalsContact CA-CD1 3.49Å; G747-L882 VanDerWaalsContact N-CD1 3.31Å; L871-L882 HydrophobicContact CB-CB 4.34Å; L871-L882 HydrophobicContact CD2-CD1 4.35Å; L871-L882 PolarHBondContact N-O 3.38Å; L871-L882 PolarHBondContact O-N 3.23Å; L873-L882 HydrophobicContact CD1-CD1 4.14Å; L882-F884 HydrophobicContact CB-CE2 3.62Å; L882-F884 HydrophobicContact CB-CZ 4.05Å; L882-F884 WeakPolarHBondContact O-CD2 3.34Å; L882-F884 VanDerWaalsContact O-CE2 3.23Å; L882-F884 WeakPolarHBondContact O-CE2 3.23Å |
| 883 | P | 78.7 | Confident | 69.6 | Low | 108 Ų | 108 | 67 Ų | 67 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140 | 178.3 | 31.3 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 884 | F | 77 | Confident | 67.9 | Low | 38 Ų | 38 | 72.3 Ų | 72.3 | 17% | 0.167 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.9 | 178.1 | -64.1 | -83.3 | 0 | 0 | 0 | 109.8 | G747 L748 L749 L869 L871 L882 F886 | G747-F884 WeakPolarHBondContact O-CZ 3.32Å; L748-F884 HydrophobicContact CD1-CE1 3.84Å; L748-F884 HydrophobicContact CD1-CZ 4.37Å; L749-F884 HydrophobicContact CB-CB 4.2Å; L749-F884 HydrophobicContact CB-CD1 4.15Å; L749-F884 HydrophobicContact CB-CD2 3.73Å; L749-F884 HydrophobicContact CB-CE2 4.16Å; L749-F884 HydrophobicContact CB-CG 3.74Å; L749-F884 HydrophobicContact CD1-CB 4.29Å; L749-F884 HydrophobicContact CD1-CD2 3.59Å; L749-F884 HydrophobicContact CD1-CE2 4.3Å; L749-F884 HydrophobicContact CD1-CG 4.15Å; L749-F884 HydrophobicContact CG-CD2 3.55Å; L749-F884 HydrophobicContact CG-CE2 3.86Å; L749-F884 HydrophobicContact CG-CG 4.09Å; L869-F884 PolarHBondContact N-O 2.99Å; L869-F884 PolarHBondContact O-N 2.82Å; L869-F884 VanDerWaalsContact O-O 3.04Å; L871-F884 HydrophobicContact CB-CD2 4.34Å; L871-F884 HydrophobicContact CB-CE2 3.95Å; L871-F884 HydrophobicContact CD2-CE2 4.41Å; L882-F884 HydrophobicContact CB-CE2 3.62Å; L882-F884 HydrophobicContact CB-CZ 4.05Å; L882-F884 WeakPolarHBondContact O-CD2 3.34Å; L882-F884 VanDerWaalsContact O-CE2 3.23Å; L882-F884 WeakPolarHBondContact O-CE2 3.23Å; F884-F886 HydrophobicContact CB-CE2 3.93Å |
| 885 | M | 76 | Confident | 66.5 | Low | 139 Ų | 139 | 72.1 Ų | 72.1 | 69% | 0.685 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128 | 171.4 | -69.1 | -155.1 | -56 | 0 | 0 | 110.3 | D868 | D868-M885 WeakPolarHBondContact OD1-CG 3.32Å |
| 886 | F | 75.2 | Confident | 65.5 | Low | 12 Ų | 12 | 80.9 Ų | 80.9 | 5% | 0.053 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.4 | 172.4 | -70.4 | -87.5 | 0 | 0 | 0 | 109.6 | L749 L761 I769 S866 I867 L869 F884 | L749-F886 HydrophobicContact CB-CE2 4.04Å; L749-F886 HydrophobicContact CB-CZ 3.92Å; L761-F886 HydrophobicContact CD1-CB 3.41Å; L761-F886 VanDerWaalsContact CD1-CB 3.41Å; L761-F886 HydrophobicContact CD1-CD1 4.3Å; L761-F886 HydrophobicContact CD1-CD2 4.43Å; L761-F886 HydrophobicContact CD1-CG 3.81Å; L761-F886 HydrophobicContact CG-CB 3.85Å; L761-F886 HydrophobicContact CG-CD1 4.25Å; L761-F886 HydrophobicContact CG-CG 4.21Å; I769-F886 HydrophobicContact CD1-CD2 4.22Å; I769-F886 HydrophobicContact CD1-CE1 4.42Å; I769-F886 HydrophobicContact CD1-CE2 3.89Å; I769-F886 HydrophobicContact CD1-CZ 3.99Å; I769-F886 HydrophobicContact CG1-CZ 4.48Å; I769-F886 HydrophobicContact CG2-CZ 4.37Å; S866-F886 CarbonylContact C-O 3.57Å; S866-F886 WeakPolarHBondContact CA-O 3.41Å; S866-F886 WeakPolarHBondContact CB-O 3.34Å; I867-F886 PolarHBondContact N-O 2.89Å; I867-F886 PolarHBondContact O-N 2.82Å; L869-F886 HydrophobicContact CB-CD2 4.48Å; L869-F886 HydrophobicContact CB-CE2 4.39Å; L869-F886 HydrophobicContact CD1-CD2 3.82Å; L869-F886 HydrophobicContact CD1-CE2 3.75Å; L869-F886 HydrophobicContact CG-CD2 4.14Å; L869-F886 HydrophobicContact CG-CE2 4.33Å; F884-F886 HydrophobicContact CB-CE2 3.93Å |
| 887 | N | 72.1 | Confident | 64.8 | Low | 77 Ų | 77 | 80.7 Ų | 80.7 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 148.1 | 177 | -66 | -32.5 | 0 | 0 | 0 | 110.7 | Y760 L761 | Y760-N887 CarbonylContact C-O 3.57Å; Y760-N887 WeakPolarHBondContact CA-O 3.46Å; Y760-N887 WeakPolarHBondContact CB-O 3.35Å; Y760-N887 VanDerWaalsContact CD1-C 3.49Å; Y760-N887 HydrophobicContact CD1-CB 3.34Å; Y760-N887 WeakPolarHBondContact CD1-O 3.31Å; Y760-N887 HydrophobicContact CE1-CB 3.27Å; Y760-N887 HydrophobicContact CG-CB 4.27Å; L761-N887 PolarHBondContact N-O 3.5Å |
| 888 | I | 70.7 | Confident | 64.5 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 11% | 0.108 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -93.4 | 125.9 | 174.3 | -58.3 | -51.7 | 0 | 0 | 0 | 110.4 | Y760 L761 P763 V859 V863 N865 I867 | Y760-I888 VanDerWaalsContact CD1-C 3.5Å; L761-I888 HydrophobicContact CB-CD1 3.77Å; L761-I888 CarbonylContact O-C 3.57Å; L761-I888 VanDerWaalsContact O-CA 3.27Å; L761-I888 WeakPolarHBondContact O-CA 3.44Å; P763-I888 HydrophobicContact CB-CG2 4.35Å; P763-I888 HydrophobicContact CG-CG2 3.94Å; V859-I888 HydrophobicContact CG1-CD1 4.02Å; V863-I888 HydrophobicContact CB-CG1 4.42Å; V863-I888 HydrophobicContact CG1-CD1 4.2Å; V863-I888 HydrophobicContact CG1-CG1 3.74Å; N865-I888 PolarHBondContact O-N 2.93Å; I867-I888 HydrophobicContact CD1-CD1 3.69Å; I867-I888 HydrophobicContact CG1-CD1 3.87Å |
| 889 | G | 65.5 | Low | 64.1 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 5% | 0.052 | 41% | 0.412 | C | S | . | . | trans | -121.7 | 156.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L761 H762 P763 | L761-G889 PolarHBondContact O-N 2.8Å; H762-G889 PolarHBondContact ND1-O 2.85Å; P763-G889 VanDerWaalsContact CD-O 3.3Å; P763-G889 WeakPolarHBondContact CD-O 3.19Å | ||
| 890 | P | 59.1 | Low | 63.3 | Low | 106 Ų | 106 | 76.4 Ų | 76.4 | 69% | 0.688 | 41% | 0.414 | S | S | * | . | trans | -68.2 | 142.8 | 177.4 | 27.4 | -33.4 | 0 | 0 | 0 | 112.4 | H762 Q892 | H762-P890 PolarHBondContact CE1-O 3.24Å; H762-P890 PolarHBondContact ND1-O 2.75Å; P890-Q892 PolarHBondContact O-N 3.45Å; P890-Q892 VanDerWaalsContact O-N 3.15Å | ||
| 891 | L | 55.7 | Low | 62.7 | Low | 62 Ų | 62 | 76.3 Ų | 76.3 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | trans | -75.7 | 97.8 | 176.3 | -160.8 | 86.7 | 0 | 0 | 0 | 109.8 | H762 T893 P939 | H762-L891 HydrophobicContact CB-CD1 3.7Å; L891-T893 VanDerWaalsContact C-N 3.31Å; L891-T893 PolarHBondContact O-N 2.85Å; L891-T893 VanDerWaalsContact O-N 3.13Å; L891-P939 HydrophobicContact CD2-CG 4.39Å | ||
| 892 | Q | 48.8 | Very low | 61.8 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 62% | 0.621 | 42% | 0.421 | S | S | * | . | trans | -65.7 | -10.9 | -169.9 | -91 | 179.6 | -0.9 | 0 | 0 | 117.6 | R756 P890 | R756-Q892 VanDerWaalsContact CZ-CB 3.48Å; P890-Q892 PolarHBondContact O-N 3.45Å; P890-Q892 VanDerWaalsContact O-N 3.15Å | ||
| 893 | T | 46.3 | Very low | 60.9 | Low | 93 Ų | 93 | 75.2 Ų | 75.2 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | trans | -159.4 | 126.6 | 174.2 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | R756 L891 | R756-T893 PolarHBondContact NH2-OG1 2.97Å; L891-T893 VanDerWaalsContact C-N 3.31Å; L891-T893 PolarHBondContact O-N 2.85Å; L891-T893 VanDerWaalsContact O-N 3.13Å | ||
| 894 | V | 43.1 | Very low | 60.1 | Low | 115 Ų | 115 | 72.4 Ų | 72.4 | 70% | 0.697 | 40% | 0.396 | S | S | * | . | trans | -86.3 | 114.6 | 165.6 | -173.8 | 0 | 0 | 0 | 0 | 106.6 | H896 | V894-H896 PolarHBondContact O-N 2.98Š| ||
| 895 | P | 46.5 | Very low | 59.2 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | trans | -60.1 | 135.4 | 169.3 | -13.3 | 27.5 | 0 | 0 | 0 | 107.9 | A897 | P895-A897 PolarHBondContact O-N 3.02Å; P895-A897 VanDerWaalsContact O-N 3.13Å | ||
| 896 | H | 46.1 | Very low | 58.4 | Low | 184 Ų | 184 | 69 Ų | 69 | 85% | 0.852 | 38% | 0.379 | S | S | * | . | trans | -54 | 125.1 | 168.2 | -81.1 | -73.8 | 0 | 0 | 0 | 108.3 | V894 M898 | V894-H896 PolarHBondContact O-N 2.98Å; H896-M898 PolarHBondContact O-N 2.92Å | ||
| 897 | A | 50.2 | Low | 57.7 | Low | 51 Ų | 51 | 69.2 Ų | 69.2 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | trans | -66.9 | 80 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P895 L938 | P895-A897 PolarHBondContact O-N 3.02Å; P895-A897 VanDerWaalsContact O-N 3.13Å; A897-L938 HydrophobicContact CB-CD2 4.46Å | ||
| 898 | M | 56.1 | Low | 57.3 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 62% | 0.621 | 37% | 0.368 | S | S | * | . | trans | -103 | 105.8 | 164.7 | -147.8 | 173.8 | -168.5 | 0 | 0 | 106.9 | H896 L900 N937 | H896-M898 PolarHBondContact O-N 2.92Å; M898-L900 HydrophobicContact CG-CD2 4.41Å; M898-L900 PolarHBondContact O-N 2.86Å; M898-L900 HydrophobicContact SD-CD2 4.33Å; M898-N937 PolarHBondContact O-ND2 3.02Å | ||
| 899 | I | 59.8 | Low | 56.8 | Low | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | trans | -70.8 | 120.2 | 161.2 | -66.8 | -176.3 | 0 | 0 | 0 | 105.9 | I934 Y944 V1041 I1043 F1050 | I899-I934 HydrophobicContact CG2-CG2 3.7Å; I899-Y944 HydrophobicContact CD1-CE1 4.35Å; I899-V1041 HydrophobicContact CD1-CG1 4.2Å; I899-I1043 HydrophobicContact CD1-CD1 3.51Å; I899-I1043 HydrophobicContact CD1-CG1 4Å; I899-I1043 HydrophobicContact CG1-CD1 4.35Å; I899-F1050 HydrophobicContact CB-CD1 4.5Å; I899-F1050 HydrophobicContact CD1-CD2 3.89Å; I899-F1050 HydrophobicContact CD1-CE2 4.26Å; I899-F1050 HydrophobicContact CD1-CG 4.19Å | ||
| 900 | L | 63.4 | Low | 56.5 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.3 | 170.2 | -68 | 168.3 | 0 | 0 | 0 | 107.4 | M898 S935 | M898-L900 HydrophobicContact CG-CD2 4.41Å; M898-L900 PolarHBondContact O-N 2.86Å; M898-L900 HydrophobicContact SD-CD2 4.33Å; L900-S935 PolarHBondContact O-N 2.83Å |
| 901 | S | 66.4 | Low | 56.4 | Low | 26 Ų | 26 | 64.6 Ų | 64.6 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.5 | 174.7 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | R933 T1053 | S901-R933 VanDerWaalsContact CA-O 3.3Å; S901-R933 WeakPolarHBondContact CA-O 3.24Å; S901-T1053 PolarHBondContact OG-N 2.8Å |
| 902 | T | 63.2 | Low | 56 | Low | 78 Ų | 78 | 63.2 Ų | 63.2 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.5 | 167.9 | 40.7 | 0 | 0 | 0 | 0 | 107.7 | N932 R933 | T902-N932 WeakPolarHBondContact O-CA 3.26Å; T902-R933 PolarHBondContact N-O 3.38Å; T902-R933 PolarHBondContact O-N 3.23Å |
| 903 | T | 59.9 | Low | 55.7 | Low | 30 Ų | 30 | 59.9 Ų | 59.9 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 107.2 | I930 N932 T1053 C1055 | T903-I930 HydrophobicContact CG2-CG2 3.93Å; T903-N932 WeakPolarHBondContact CB-OD1 3.33Å; T903-N932 WeakPolarHBondContact CG2-OD1 3.29Å; T903-N932 PolarHBondContact OG1-OD1 2.78Å; T903-T1053 WeakPolarHBondContact CB-O 3.25Å; T903-T1053 PolarHBondContact OG1-O 2.95Å; T903-C1055 HydrophobicContact CG2-CB 3.9Å |
| 904 | H | 61.8 | Low | 55.4 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.1 | 175.2 | -60.9 | -90.8 | 0 | 0 | 0 | 108.7 | H917 Y931 | H904-H917 AromaticContact ND1-CE1 3.46Å; H904-H917 PolarHBondContact ND1-CE1 2.86Å; H904-H917 AromaticContact ND1-NE2 3.45Å; H904-H917 PolarHBondContact ND1-NE2 2.83Å; H904-Y931 HydrophobicContact CB-CD1 3.76Å; H904-Y931 HydrophobicContact CB-CG 4.43Å; H904-Y931 AromaticContact CD2-CD1 3.12Å; H904-Y931 WeakPolarHBondContact CD2-CD1 3.27Å; H904-Y931 AromaticContact CD2-CE1 3.31Å; H904-Y931 WeakPolarHBondContact CD2-CE1 3.27Å; H904-Y931 AromaticContact CG-CD1 3.56Å; H904-Y931 PolarHBondContact N-O 2.81Å; H904-Y931 AromaticContact NE2-CD1 3.95Å; H904-Y931 AromaticContact NE2-CE1 3.65Å |
| 905 | E | 57 | Low | 55.4 | Low | 98 Ų | 98 | 55.3 Ų | 55.3 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 162.4 | 179.5 | -86.1 | 174.2 | 157.3 | 0 | 0 | 112.9 | ||
| 906 | I | 60.4 | Low | 55.3 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.4 | -165.3 | -80.8 | 159.8 | 0 | 0 | 0 | 112.1 | L922 I930 I1018 F1057 | I906-L922 HydrophobicContact CG2-CD1 3.57Å; I906-L922 HydrophobicContact CG2-CD2 4.15Å; I906-L922 HydrophobicContact CG2-CG 3.82Å; I906-I930 HydrophobicContact CD1-CD1 4.1Å; I906-I930 HydrophobicContact CD1-CG1 3.65Å; I906-I930 HydrophobicContact CG1-CB 4.42Å; I906-I930 HydrophobicContact CG1-CD1 4.37Å; I906-I930 HydrophobicContact CG1-CG1 3.4Å; I906-I930 VanDerWaalsContact CG1-CG1 3.4Å; I906-I1018 HydrophobicContact CD1-CD1 3.5Å; I906-I1018 VanDerWaalsContact CD1-CD1 3.5Å; I906-I1018 HydrophobicContact CG1-CD1 4.2Å; I906-F1057 HydrophobicContact CB-CB 4.21Å; I906-F1057 HydrophobicContact CD1-CB 3.41Å; I906-F1057 VanDerWaalsContact CD1-CB 3.41Å; I906-F1057 HydrophobicContact CD1-CD1 2.95Å; I906-F1057 HydrophobicContact CD1-CD2 3.97Å; I906-F1057 HydrophobicContact CD1-CE1 3.54Å; I906-F1057 HydrophobicContact CD1-CE2 4.45Å; I906-F1057 HydrophobicContact CD1-CG 3.16Å; I906-F1057 HydrophobicContact CD1-CZ 4.25Å; I906-F1057 HydrophobicContact CG1-CB 4.35Å; I906-F1057 HydrophobicContact CG1-CD1 4.43Å; I906-F1057 HydrophobicContact CG1-CG 4.43Å |
| 907 | D | 60.5 | Low | 55.2 | Low | 18 Ų | 18 | 52.9 Ų | 52.9 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.3 | 163.9 | -169 | 10.8 | 0 | 0 | 0 | 109.3 | I909 P915 G928 R929 | D907-I909 PolarHBondContact O-N 2.82Å; D907-P915 HydrophobicContact CB-CB 3.91Å; D907-P915 WeakPolarHBondContact OD2-CA 3.23Å; D907-G928 CarbonylContact O-C 3.5Å; D907-G928 WeakPolarHBondContact O-CA 3.4Å; D907-R929 PolarHBondContact N-O 2.9Å; D907-R929 PolarHBondContact O-N 2.82Å |
| 908 | A | 62.7 | Low | 55.1 | Low | 16 Ų | 16 | 52 Ų | 52 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | N910 L922 E926 | A908-N910 PolarHBondContact O-N 2.85Å; A908-L922 HydrophobicContact CB-CD2 3.87Å; A908-E926 HydrophobicContact CB-CG 4.37Å; A908-E926 WeakPolarHBondContact CB-OE1 3.34Å |
| 909 | I | 61.2 | Low | 55.1 | Low | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | trans | -49.6 | 105 | -167.4 | -166.9 | 174 | 0 | 0 | 0 | 111.1 | D907 F911 I927 F1017 K1113 V1179 P1181 | D907-I909 PolarHBondContact O-N 2.82Å; I909-F911 HydrophobicContact CD1-CE1 3.85Å; I909-F911 HydrophobicContact CD1-CZ 4.5Å; I909-F911 HydrophobicContact CG1-CE1 4.18Å; I909-F911 HydrophobicContact CG2-CE1 4.49Å; I909-F911 HydrophobicContact CG2-CZ 4.23Å; I909-I927 HydrophobicContact CB-CB 4.47Å; I909-I927 HydrophobicContact CB-CG2 4.29Å; I909-I927 WeakPolarHBondContact CB-O 3.26Å; I909-I927 HydrophobicContact CD1-CG2 4.35Å; I909-I927 HydrophobicContact CG2-CB 3.81Å; I909-I927 HydrophobicContact CG2-CG2 4.11Å; I909-I927 WeakPolarHBondContact CG2-O 3.21Å; I909-I927 PolarHBondContact N-O 3.17Å; I909-F1017 HydrophobicContact CD1-CD1 3.98Å; I909-F1017 HydrophobicContact CD1-CE1 3.67Å; I909-F1017 HydrophobicContact CG1-CE1 4.41Å; I909-K1113 WeakPolarHBondContact O-CE 3.37Å; I909-K1113 PolarHBondContact O-NZ 2.8Å; I909-V1179 HydrophobicContact CG2-CG1 3.67Å; I909-P1181 HydrophobicContact CD1-CB 3.84Å | ||
| 910 | N | 58.6 | Low | 55.1 | Low | 48 Ų | 48 | 55.5 Ų | 55.5 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | trans | -96.5 | 121.2 | 172.9 | -158.2 | -15.8 | 0 | 0 | 0 | 106.1 | A908 D912 K913 | A908-N910 PolarHBondContact O-N 2.85Å; N910-D912 CarbonylContact C-O 3.59Å; N910-D912 WeakPolarHBondContact CB-O 3.43Å; N910-D912 PolarHBondContact O-N 2.8Å; N910-D912 WeakPolarHBondContact OD1-CB 3.33Å; N910-D912 PolarHBondContact OD1-N 2.99Å; N910-D912 PolarHBondContact OD1-O 3.35Å; N910-K913 HydrophobicContact CB-CB 4.44Å | ||
| 911 | F | 56 | Low | 55.6 | Low | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -69.2 | -22.6 | 179 | -63.1 | -61.7 | 0 | 0 | 0 | 111 | I909 Y1068 N1111 K1113 V1179 P1181 | I909-F911 HydrophobicContact CD1-CE1 3.85Å; I909-F911 HydrophobicContact CD1-CZ 4.5Å; I909-F911 HydrophobicContact CG1-CE1 4.18Å; I909-F911 HydrophobicContact CG2-CE1 4.49Å; I909-F911 HydrophobicContact CG2-CZ 4.23Å; F911-Y1068 HydrophobicContact CB-CE1 3.72Å; F911-Y1068 VanDerWaalsContact CB-OH 3.32Å; F911-Y1068 WeakPolarHBondContact CB-OH 3.4Å; F911-Y1068 AromaticContact CD2-CD1 3.53Å; F911-Y1068 HydrophobicContact CD2-CD1 3.53Å; F911-Y1068 AromaticContact CD2-CE1 3.36Å; F911-Y1068 HydrophobicContact CD2-CE1 3.36Å; F911-Y1068 HydrophobicContact CE2-CD1 4.22Å; F911-Y1068 HydrophobicContact CE2-CE1 4.38Å; F911-Y1068 AromaticContact CG-CE1 3.93Å; F911-Y1068 HydrophobicContact CG-CE1 3.93Å; F911-N1111 HydrophobicContact CB-CB 4.46Å; F911-N1111 HydrophobicContact CD1-CB 4.1Å; F911-N1111 HydrophobicContact CD2-CB 4.48Å; F911-N1111 HydrophobicContact CG-CB 4.07Å; F911-K1113 HydrophobicContact CE2-CG 3.92Å; F911-V1179 HydrophobicContact CE2-CG1 4.17Å; F911-V1179 HydrophobicContact CZ-CG1 3.65Å; F911-P1181 HydrophobicContact CE1-CB 3.77Å; F911-P1181 HydrophobicContact CZ-CB 4.24Å |
| 912 | D | 48.1 | Very low | 56.1 | Low | 33 Ų | 33 | 51.8 Ų | 51.8 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -90.9 | 160.4 | 164.3 | -65.9 | 18.1 | 0 | 0 | 0 | 106.7 | G511 I512 N910 Y1068 | G511-D912 VanDerWaalsContact C-OD1 3.25Å; G511-D912 VanDerWaalsContact CA-CA 3.41Å; G511-D912 WeakPolarHBondContact CA-OD2 3.29Å; G511-D912 VanDerWaalsContact N-CA 3.31Å; I512-D912 WeakPolarHBondContact CA-OD1 3.37Å; I512-D912 WeakPolarHBondContact CG1-OD1 3.36Å; I512-D912 PolarHBondContact N-OD1 2.85Å; I512-D912 PolarHBondContact N-OD2 2.75Å; I512-D912 VanDerWaalsContact N-OD2 3.12Å; N910-D912 CarbonylContact C-O 3.59Å; N910-D912 WeakPolarHBondContact CB-O 3.43Å; N910-D912 PolarHBondContact O-N 2.8Å; N910-D912 WeakPolarHBondContact OD1-CB 3.33Å; N910-D912 PolarHBondContact OD1-N 2.99Å; N910-D912 PolarHBondContact OD1-O 3.35Å; D912-Y1068 PolarHBondContact OD1-OH 2.78Å |
| 913 | K | 41.9 | Very low | 57 | Low | 62 Ų | 62 | 48.4 Ų | 48.4 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 70.6 | 127.4 | 171.9 | -38.1 | -169.7 | 179.6 | -175.3 | 0 | 115.9 | K476 H510 N910 | K476-K913 PolarHBondContact O-NZ 2.82Å; K476-K913 VanDerWaalsContact O-NZ 3.12Å; H510-K913 VanDerWaalsContact CA-N 3.32Å; H510-K913 VanDerWaalsContact CB-CA 3.48Å; H510-K913 HydrophobicContact CB-CB 4.15Å; H510-K913 HydrophobicContact CB-CG 4.16Å; N910-K913 HydrophobicContact CB-CB 4.44Å |
| 914 | Q | 41.2 | Very low | 58 | Low | 82 Ų | 82 | 47.6 Ų | 47.6 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -64 | 156.4 | 155.2 | -75 | 177.4 | -6.4 | 0 | 0 | 107.4 | H510 D916 | H510-Q914 WeakPolarHBondContact CE1-CB 3.22Å; H510-Q914 VanDerWaalsContact CE1-CD 3.5Å; H510-Q914 WeakPolarHBondContact CE1-CG 3.35Å; H510-Q914 PolarHBondContact CE1-N 2.85Å; H510-Q914 PolarHBondContact CE1-OE1 2.91Å; H510-Q914 PolarHBondContact ND1-N 2.97Å; Q914-D916 PolarHBondContact O-N 3.47Å |
| 915 | P | 43.7 | Very low | 58.7 | Low | 30 Ų | 30 | 45.3 Ų | 45.3 | 20% | 0.195 | 24% | 0.242 | C | C | . | . | trans | -49.7 | 107 | 176.9 | 19 | -32.8 | 0 | 0 | 0 | 110.6 | D907 Y931 | D907-P915 HydrophobicContact CB-CB 3.91Å; D907-P915 WeakPolarHBondContact OD2-CA 3.23Å; P915-Y931 HydrophobicContact CG-CD1 4.42Å; P915-Y931 HydrophobicContact CG-CG 4.5Å | ||
| 916 | D | 43.9 | Very low | 59.8 | Low | 47 Ų | 47 | 41.2 Ų | 41.2 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | trans | -78.8 | 136.8 | 163.2 | -92.1 | -40.1 | 0 | 0 | 0 | 105.9 | Q914 A918 | Q914-D916 PolarHBondContact O-N 3.47Å; D916-A918 PolarHBondContact O-N 2.89Å | ||
| 917 | H | 44.3 | Very low | 60.7 | Low | 138 Ų | 138 | 41.3 Ų | 41.3 | 64% | 0.639 | 22% | 0.223 | S | C | * | . | trans | -57 | 99.1 | 171.8 | -81 | -72 | 0 | 0 | 0 | 109.1 | H904 | H904-H917 AromaticContact ND1-CE1 3.46Å; H904-H917 PolarHBondContact ND1-CE1 2.86Å; H904-H917 AromaticContact ND1-NE2 3.45Å; H904-H917 PolarHBondContact ND1-NE2 2.83Å | ||
| 918 | A | 48.3 | Very low | 61.5 | Low | 34 Ų | 34 | 40.5 Ų | 40.5 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | trans | -128.2 | 113.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | D916 T920 | D916-A918 PolarHBondContact O-N 2.89Å; A918-T920 WeakPolarHBondContact CB-OG1 3.36Å; A918-T920 PolarHBondContact O-N 2.81Å | ||
| 919 | D | 54.1 | Low | 62.1 | Low | 143 Ų | 143 | 41.6 Ų | 41.6 | 77% | 0.765 | 22% | 0.22 | S | C | * | . | trans | -69.2 | 34.3 | 170.4 | -65.4 | -22.9 | 0 | 0 | 0 | 111.9 | ||||
| 920 | T | 61.8 | Low | 62.8 | Low | 81 Ų | 81 | 41.4 Ų | 41.4 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 123.3 | 179.5 | 22.1 | 0 | 0 | 0 | 0 | 109.5 | A918 L922 | A918-T920 WeakPolarHBondContact CB-OG1 3.36Å; A918-T920 PolarHBondContact O-N 2.81Å; T920-L922 PolarHBondContact O-N 3.38Å |
| 921 | P | 71.9 | Confident | 63.6 | Low | 44 Ų | 44 | 39.9 Ų | 39.9 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 137.9 | 175.2 | 26.2 | -32.7 | 0 | 0 | 0 | 109.9 | N1058 A1063 | P921-N1058 CarbonylContact C-O 3.58Å; P921-N1058 VanDerWaalsContact CA-O 3.24Å; P921-N1058 WeakPolarHBondContact CA-O 3.42Å; P921-N1058 HydrophobicContact CB-CB 4.18Å; P921-A1063 HydrophobicContact CG-CB 4.35Å |
| 922 | L | 78.6 | Confident | 64.4 | Low | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 137.5 | 175.9 | -76.8 | 175.3 | 0 | 0 | 0 | 110.5 | I906 A908 T920 E926 I1018 P1020 F1057 N1058 V1059 S1060 | I906-L922 HydrophobicContact CG2-CD1 3.57Å; I906-L922 HydrophobicContact CG2-CD2 4.15Å; I906-L922 HydrophobicContact CG2-CG 3.82Å; A908-L922 HydrophobicContact CB-CD2 3.87Å; T920-L922 PolarHBondContact O-N 3.38Å; L922-E926 HydrophobicContact CD2-CG 4.39Å; L922-I1018 HydrophobicContact CD1-CD1 4.26Å; L922-I1018 HydrophobicContact CD1-CG1 4.49Å; L922-P1020 HydrophobicContact CB-CG 4.23Å; L922-P1020 HydrophobicContact CD1-CG 4.19Å; L922-F1057 HydrophobicContact CD1-CD2 3.75Å; L922-F1057 HydrophobicContact CD1-CE2 3.66Å; L922-F1057 HydrophobicContact CG-CD2 4.4Å; L922-N1058 PolarHBondContact N-O 3.17Å; L922-V1059 CarbonylContact O-C 3.6Å; L922-V1059 VanDerWaalsContact O-CA 3.27Å; L922-V1059 WeakPolarHBondContact O-CA 3.44Å; L922-S1060 PolarHBondContact O-N 2.98Å |
| 923 | T | 81.5 | Confident | 65.5 | Low | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 143.3 | 172.7 | -44.4 | 0 | 0 | 0 | 0 | 109.8 | G925 E926 A1063 N1177 | T923-G925 PolarHBondContact O-N 2.82Å; T923-E926 PolarHBondContact N-OE2 3.27Å; T923-E926 VanDerWaalsContact O-CB 3.23Å; T923-E926 WeakPolarHBondContact O-CB 3.24Å; T923-E926 PolarHBondContact O-N 2.77Å; T923-E926 PolarHBondContact OG1-OE2 2.69Å; T923-A1063 WeakPolarHBondContact CG2-O 3.35Å; T923-N1177 WeakPolarHBondContact CG2-ND2 3.29Å |
| 924 | P | 81.4 | Confident | 67 | Low | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 130.8 | 170.5 | -27.7 | 34.6 | 0 | 0 | 0 | 112.2 | E926 L1029 V1059 S1060 N1177 | P924-E926 VanDerWaalsContact C-N 3.31Å; P924-E926 PolarHBondContact O-N 3.1Å; P924-L1029 HydrophobicContact CG-CB 4.3Å; P924-L1029 HydrophobicContact CG-CD2 3.82Å; P924-V1059 HydrophobicContact CG-CG1 4.06Å; P924-S1060 WeakPolarHBondContact CD-O 3.48Å; P924-N1177 PolarHBondContact O-ND2 3.05Å |
| 925 | G | 76.1 | Confident | 68.3 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -14.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | T923 R1019 P1020 | T923-G925 PolarHBondContact O-N 2.82Å; G925-R1019 PolarHBondContact O-NE 2.83Å; G925-P1020 PolarHBondContact N-O 2.89Å |
| 926 | E | 80.6 | Confident | 69.4 | Low | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 145.9 | 175.1 | -170.2 | 164.3 | -156.9 | 0 | 0 | 111.2 | A908 L922 T923 P924 P1020 M1065 K1113 | A908-E926 HydrophobicContact CB-CG 4.37Å; A908-E926 WeakPolarHBondContact CB-OE1 3.34Å; L922-E926 HydrophobicContact CD2-CG 4.39Å; T923-E926 PolarHBondContact N-OE2 3.27Å; T923-E926 VanDerWaalsContact O-CB 3.23Å; T923-E926 WeakPolarHBondContact O-CB 3.24Å; T923-E926 PolarHBondContact O-N 2.77Å; T923-E926 PolarHBondContact OG1-OE2 2.69Å; P924-E926 VanDerWaalsContact C-N 3.31Å; P924-E926 PolarHBondContact O-N 3.1Å; E926-P1020 WeakPolarHBondContact O-CD 2.98Å; E926-M1065 HydrophobicContact CB-SD 4.13Å; E926-M1065 HydrophobicContact CG-CG 4.28Å; E926-M1065 HydrophobicContact CG-SD 4.04Å; E926-K1113 IonicContact OE1-NZ 2.79Å; E926-K1113 PolarHBondContact OE1-NZ 3.39Å |
| 927 | I | 78.3 | Confident | 70.2 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -90.9 | 122.2 | 177.3 | -64.3 | 176.6 | 0 | 0 | 0 | 109.1 | I909 I961 F1017 I1018 R1019 V1179 P1181 | I909-I927 HydrophobicContact CB-CB 4.47Å; I909-I927 HydrophobicContact CB-CG2 4.29Å; I909-I927 WeakPolarHBondContact CB-O 3.26Å; I909-I927 HydrophobicContact CD1-CG2 4.35Å; I909-I927 HydrophobicContact CG2-CB 3.81Å; I909-I927 HydrophobicContact CG2-CG2 4.11Å; I909-I927 WeakPolarHBondContact CG2-O 3.21Å; I909-I927 PolarHBondContact N-O 3.17Å; I927-I961 HydrophobicContact CB-CD1 4.35Å; I927-I961 HydrophobicContact CD1-CD1 3.69Å; I927-I961 HydrophobicContact CG1-CD1 3.62Å; I927-I961 HydrophobicContact CG2-CD1 3.92Å; I927-F1017 HydrophobicContact CG2-CB 4.32Å; I927-F1017 HydrophobicContact CG2-CD1 4.18Å; I927-I1018 CarbonylContact C-O 3.54Å; I927-I1018 VanDerWaalsContact CA-O 3.32Å; I927-I1018 WeakPolarHBondContact CA-O 3.36Å; I927-R1019 HydrophobicContact CG1-CB 4.46Å; I927-V1179 HydrophobicContact CB-CB 4.33Å; I927-V1179 HydrophobicContact CB-CG1 4.26Å; I927-V1179 HydrophobicContact CD1-CB 3.71Å; I927-V1179 HydrophobicContact CD1-CG1 3.87Å; I927-V1179 HydrophobicContact CG1-CB 3.85Å; I927-V1179 HydrophobicContact CG1-CG1 4.2Å; I927-V1179 HydrophobicContact CG1-CG2 4.4Å; I927-P1181 HydrophobicContact CD1-CG 4.23Å |
| 928 | G | 77.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 151.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | D907 F1017 I1018 | D907-G928 CarbonylContact O-C 3.5Å; D907-G928 WeakPolarHBondContact O-CA 3.4Å; G928-F1017 WeakPolarHBondContact O-CA 3.43Å; G928-I1018 PolarHBondContact N-O 3.38Å; G928-I1018 PolarHBondContact O-N 3.41Å |
| 929 | R | 75.8 | Confident | 71.9 | Confident | 40 Ų | 40 | 27.7 Ų | 27.7 | 15% | 0.151 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.7 | 173.2 | -178.3 | -172.5 | -177.2 | 169.8 | 10.7 | 109.4 | D907 D1015 F1017 | D907-R929 PolarHBondContact N-O 2.9Å; D907-R929 PolarHBondContact O-N 2.82Å; R929-D1015 HydrophobicContact CG-CB 4.33Å; R929-D1015 IonicContact CZ-OD2 2.81Å; R929-D1015 VanDerWaalsContact NE-CG 3.35Å; R929-D1015 IonicContact NE-OD1 3.83Å; R929-D1015 PolarHBondContact NE-OD1 3.01Å; R929-D1015 IonicContact NE-OD2 3.91Å; R929-D1015 PolarHBondContact NE-OD2 3.3Å; R929-D1015 IonicContact NH2-OD1 2.83Å; R929-D1015 IonicContact NH2-OD2 3.3Å; R929-D1015 PolarHBondContact NH2-OD2 3.01Å; R929-F1017 HydrophobicContact CB-CD1 4.3Å; R929-F1017 HydrophobicContact CB-CE1 4.22Å; R929-F1017 HydrophobicContact CG-CD1 4.37Å; R929-F1017 HydrophobicContact CG-CE1 3.96Å; R929-F1017 HydrophobicContact CG-CZ 4.45Å |
| 930 | I | 76.7 | Confident | 72.7 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.2 | 169.7 | -56.1 | 163.6 | 0 | 0 | 0 | 108.3 | T903 I906 D1015 V1016 I1018 I1037 C1055 | T903-I930 HydrophobicContact CG2-CG2 3.93Å; I906-I930 HydrophobicContact CD1-CD1 4.1Å; I906-I930 HydrophobicContact CD1-CG1 3.65Å; I906-I930 HydrophobicContact CG1-CB 4.42Å; I906-I930 HydrophobicContact CG1-CD1 4.37Å; I906-I930 HydrophobicContact CG1-CG1 3.4Å; I906-I930 VanDerWaalsContact CG1-CG1 3.4Å; I930-D1015 CarbonylContact O-C 3.6Å; I930-D1015 VanDerWaalsContact O-CA 3.32Å; I930-D1015 WeakPolarHBondContact O-CA 3.48Å; I930-V1016 HydrophobicContact CB-CB 4.18Å; I930-V1016 PolarHBondContact N-O 2.88Å; I930-V1016 PolarHBondContact O-N 2.7Å; I930-I1018 HydrophobicContact CD1-CD1 4Å; I930-I1018 HydrophobicContact CD1-CG2 4Å; I930-I1018 HydrophobicContact CG1-CD1 4.15Å; I930-I1037 HydrophobicContact CD1-CB 4.02Å; I930-I1037 HydrophobicContact CD1-CD1 3.64Å; I930-I1037 HydrophobicContact CD1-CG1 4.35Å; I930-I1037 HydrophobicContact CD1-CG2 3.97Å; I930-C1055 HydrophobicContact CD1-CB 4.42Å; I930-C1055 HydrophobicContact CG2-CB 4.09Å |
| 931 | Y | 73.7 | Confident | 73.3 | Confident | 17 Ų | 17 | 20.9 Ų | 20.9 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.2 | 179.7 | 169.5 | -132.2 | 0 | 0 | 0 | 111.2 | H904 P915 R933 R1013 D1015 | H904-Y931 HydrophobicContact CB-CD1 3.76Å; H904-Y931 HydrophobicContact CB-CG 4.43Å; H904-Y931 AromaticContact CD2-CD1 3.12Å; H904-Y931 WeakPolarHBondContact CD2-CD1 3.27Å; H904-Y931 AromaticContact CD2-CE1 3.31Å; H904-Y931 WeakPolarHBondContact CD2-CE1 3.27Å; H904-Y931 AromaticContact CG-CD1 3.56Å; H904-Y931 PolarHBondContact N-O 2.81Å; H904-Y931 AromaticContact NE2-CD1 3.95Å; H904-Y931 AromaticContact NE2-CE1 3.65Å; P915-Y931 HydrophobicContact CG-CD1 4.42Å; P915-Y931 HydrophobicContact CG-CG 4.5Å; Y931-R933 HydrophobicContact CE1-CG 4.07Å; Y931-R933 HydrophobicContact CE2-CG 3.81Å; Y931-R933 VanDerWaalsContact CZ-CG 3.43Å; Y931-R933 VanDerWaalsContact OH-CG 3.28Å; Y931-R933 WeakPolarHBondContact OH-CG 3.34Å; Y931-R933 VanDerWaalsContact OH-CZ 3.25Å; Y931-R933 PolarHBondContact OH-NE 3.12Å; Y931-R933 PolarHBondContact OH-NH2 3.05Å; Y931-R933 VanDerWaalsContact OH-NH2 3.09Å; Y931-R1013 HydrophobicContact CD2-CG 3.9Å; Y931-R1013 HydrophobicContact CE2-CB 3.97Å; Y931-R1013 HydrophobicContact CE2-CG 3.42Å; Y931-R1013 VanDerWaalsContact CE2-CG 3.42Å; Y931-D1015 VanDerWaalsContact CD2-OD1 3.29Å; Y931-D1015 WeakPolarHBondContact CD2-OD1 3.31Å |
| 932 | N | 74 | Confident | 73.5 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.9 | 175.9 | -60.8 | -89.5 | 0 | 0 | 0 | 110.4 | T902 T903 R1013 V1014 | T902-N932 WeakPolarHBondContact O-CA 3.26Å; T903-N932 WeakPolarHBondContact CB-OD1 3.33Å; T903-N932 WeakPolarHBondContact CG2-OD1 3.29Å; T903-N932 PolarHBondContact OG1-OD1 2.78Å; N932-R1013 CarbonylContact O-C 3.57Å; N932-R1013 WeakPolarHBondContact O-CA 3.15Å; N932-V1014 HydrophobicContact CB-CB 4.35Å; N932-V1014 PolarHBondContact N-O 2.84Å; N932-V1014 PolarHBondContact O-N 3.34Å |
| 933 | R | 71.1 | Confident | 73.7 | Confident | 89 Ų | 89 | 22.7 Ų | 22.7 | 34% | 0.336 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.5 | 163.8 | -70.5 | -173.9 | -170.7 | -154.9 | -9.8 | 109.4 | S901 T902 Y931 E1011 | S901-R933 VanDerWaalsContact CA-O 3.3Å; S901-R933 WeakPolarHBondContact CA-O 3.24Å; T902-R933 PolarHBondContact N-O 3.38Å; T902-R933 PolarHBondContact O-N 3.23Å; Y931-R933 HydrophobicContact CE1-CG 4.07Å; Y931-R933 HydrophobicContact CE2-CG 3.81Å; Y931-R933 VanDerWaalsContact CZ-CG 3.43Å; Y931-R933 VanDerWaalsContact OH-CG 3.28Å; Y931-R933 WeakPolarHBondContact OH-CG 3.34Å; Y931-R933 VanDerWaalsContact OH-CZ 3.25Å; Y931-R933 PolarHBondContact OH-NE 3.12Å; Y931-R933 PolarHBondContact OH-NH2 3.05Å; Y931-R933 VanDerWaalsContact OH-NH2 3.09Å; R933-E1011 IonicContact NH1-OE2 3.79Å |
| 934 | I | 73.4 | Confident | 73.6 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.9 | -179.5 | -53.1 | 174.9 | 0 | 0 | 0 | 107.9 | I899 L936 I946 E1011 V1012 V1014 V1041 L1052 | I899-I934 HydrophobicContact CG2-CG2 3.7Å; I934-L936 HydrophobicContact CG2-CD2 3.76Å; I934-L936 HydrophobicContact CG2-CG 4.48Å; I934-I946 HydrophobicContact CD1-CD1 4.23Å; I934-E1011 CarbonylContact O-C 3.59Å; I934-E1011 VanDerWaalsContact O-CA 3.32Å; I934-E1011 WeakPolarHBondContact O-CA 3.37Å; I934-V1012 PolarHBondContact N-O 2.99Å; I934-V1012 PolarHBondContact O-N 3.02Å; I934-V1014 HydrophobicContact CD1-CG2 3.71Å; I934-V1041 HydrophobicContact CD1-CG2 4.06Å; I934-L1052 HydrophobicContact CD1-CD1 4.15Å; I934-L1052 HydrophobicContact CD1-CD2 4.13Å; I934-L1052 HydrophobicContact CG1-CD2 4.16Å |
| 935 | S | 68.6 | Low | 73.8 | Confident | 21 Ų | 21 | 24.7 Ų | 24.7 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.5 | 176.4 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | L900 | L900-S935 PolarHBondContact O-N 2.83Å |
| 936 | L | 67.3 | Low | 74.1 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | trans | -102.8 | 94.5 | -171.1 | -58.4 | 174.5 | 0 | 0 | 0 | 112.4 | I934 L938 Y944 I1002 N1010 V1012 | I934-L936 HydrophobicContact CG2-CD2 3.76Å; I934-L936 HydrophobicContact CG2-CG 4.48Å; L936-L938 PolarHBondContact O-N 3.06Å; L936-Y944 HydrophobicContact CD1-CE2 4.49Å; L936-Y944 HydrophobicContact CD2-CD1 4.34Å; L936-Y944 HydrophobicContact CD2-CE1 3.73Å; L936-I1002 HydrophobicContact CD1-CB 4.12Å; L936-I1002 HydrophobicContact CD1-CD1 3.68Å; L936-I1002 HydrophobicContact CD1-CG1 4.49Å; L936-I1002 HydrophobicContact CD1-CG2 3.55Å; L936-N1010 HydrophobicContact CB-CB 4.36Å; L936-N1010 WeakPolarHBondContact CB-O 3.32Å; L936-N1010 PolarHBondContact N-O 2.81Å; L936-N1010 WeakPolarHBondContact O-CB 3.23Å; L936-N1010 VanDerWaalsContact O-CG 3.27Å; L936-N1010 PolarHBondContact O-ND2 3.02Å; L936-V1012 HydrophobicContact CD1-CB 4.33Å; L936-V1012 HydrophobicContact CD1-CG2 3.56Å; L936-V1012 HydrophobicContact CG-CG2 4.47Å | ||
| 937 | N | 60.8 | Low | 74.3 | Confident | 55 Ų | 55 | 25 Ų | 25 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | trans | -74.3 | 17.4 | -173.1 | -84 | -28.8 | 0 | 0 | 0 | 116.9 | M898 N1010 | M898-N937 PolarHBondContact O-ND2 3.02Å; N937-N1010 WeakPolarHBondContact CA-ND2 3.44Å; N937-N1010 PolarHBondContact OD1-ND2 3.24Å; N937-N1010 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 938 | L | 61.7 | Low | 74.7 | Confident | 23 Ų | 23 | 24.7 Ų | 24.7 | 12% | 0.12 | 12% | 0.118 | C | C | . | . | trans | -105 | 119 | -174.5 | -68.5 | 172.6 | 0 | 0 | 0 | 112.2 | A897 L936 K940 E942 I1043 | A897-L938 HydrophobicContact CB-CD2 4.46Å; L936-L938 PolarHBondContact O-N 3.06Å; L938-K940 HydrophobicContact CB-CG 4.11Å; L938-K940 PolarHBondContact O-N 3.04Å; L938-E942 HydrophobicContact CD1-CG 4.38Å; L938-I1043 HydrophobicContact CD1-CD1 4.38Å | ||
| 939 | P | 65.8 | Low | 75 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -81.3 | 40.7 | -179.3 | 36.8 | -39.3 | 0 | 0 | 0 | 113.5 | S765 F766 L891 A1004 A1006 | S765-P939 WeakPolarHBondContact CA-O 3.23Å; F766-P939 PolarHBondContact N-O 2.91Å; L891-P939 HydrophobicContact CD2-CG 4.39Å; P939-A1004 CarbonylContact C-O 3.44Å; P939-A1004 VanDerWaalsContact C-O 3.31Å; P939-A1004 VanDerWaalsContact CA-O 3.3Å; P939-A1004 WeakPolarHBondContact CA-O 3.48Å; P939-A1006 HydrophobicContact CB-CB 3.43Å; P939-A1006 VanDerWaalsContact CB-CB 3.43Å; P939-A1006 HydrophobicContact CG-CB 4.27Å |
| 940 | K | 70.2 | Confident | 75.1 | Confident | 61 Ų | 61 | 24.7 Ų | 24.7 | 27% | 0.265 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -144.1 | 163.6 | -174.5 | 55.6 | 168.4 | 171.9 | 164.4 | 0 | 110.4 | L938 E942 A1004 S1045 | L938-K940 HydrophobicContact CB-CG 4.11Å; L938-K940 PolarHBondContact O-N 3.04Å; K940-E942 WeakPolarHBondContact CE-OE2 3.38Å; K940-E942 IonicContact NZ-OE2 2.88Å; K940-E942 PolarHBondContact NZ-OE2 2.74Å; K940-E942 PolarHBondContact O-N 2.84Å; K940-A1004 PolarHBondContact N-O 3.29Å; K940-S1045 PolarHBondContact NZ-OG 2.89Å |
| 941 | C | 73.9 | Confident | 74.7 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 14% | 0.135 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.3 | 163.9 | -70.4 | 0 | 0 | 0 | 0 | 109.3 | F766 F799 K1001 C1003 | F766-C941 WeakPolarHBondContact CD2-SG 3.3Å; F799-C941 WeakPolarHBondContact CZ-SG 3.4Å; C941-K1001 HydrophobicContact CB-CG 4.48Å; C941-C1003 VanDerWaalsContact CA-SG 3.57Å; C941-C1003 HydrophobicContact CB-CB 4.13Å; C941-C1003 WeakPolarHBondContact CB-SG 3.46Å; C941-C1003 WeakPolarHBondContact SG-CB 3.36Å; C941-C1003 CovalentContact SG-SG 2.04Å; C941-C1003 PolarHBondContact SG-SG 3.35Å |
| 942 | E | 77.3 | Confident | 74.1 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.2 | -179.4 | -171.4 | 64 | -113.9 | 0 | 0 | 110.2 | L938 K940 Y944 K1001 I1002 I1043 S1045 | L938-E942 HydrophobicContact CD1-CG 4.38Å; K940-E942 WeakPolarHBondContact CE-OE2 3.38Å; K940-E942 IonicContact NZ-OE2 2.88Å; K940-E942 PolarHBondContact NZ-OE2 2.74Å; K940-E942 PolarHBondContact O-N 2.84Å; E942-Y944 HydrophobicContact CB-CD2 4.42Å; E942-Y944 HydrophobicContact CB-CE2 3.64Å; E942-Y944 HydrophobicContact CG-CE2 4.1Å; E942-Y944 VanDerWaalsContact O-CD2 3.29Å; E942-Y944 WeakPolarHBondContact O-CD2 3.16Å; E942-Y944 WeakPolarHBondContact O-CE2 3.11Å; E942-K1001 WeakPolarHBondContact O-CA 3.2Å; E942-I1002 PolarHBondContact N-O 3.46Å; E942-I1002 PolarHBondContact O-N 2.83Å; E942-I1043 HydrophobicContact CG-CG2 3.32Å; E942-S1045 VanDerWaalsContact OE1-CB 3.25Å; E942-S1045 WeakPolarHBondContact OE1-CB 3.47Å; E942-S1045 PolarHBondContact OE1-N 3.2Å; E942-S1045 VanDerWaalsContact OE1-N 3.09Å; E942-S1045 PolarHBondContact OE1-OG 2.9Å; E942-S1045 WeakPolarHBondContact OE2-CB 3.42Å; E942-S1045 PolarHBondContact OE2-OG 3.44Å |
| 943 | E | 82.4 | Confident | 73.4 | Confident | 66 Ų | 66 | 36.7 Ų | 36.7 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.6 | 176.3 | -57.7 | -176 | -154.3 | 0 | 0 | 109.4 | L977 L1000 K1044 | E943-L977 HydrophobicContact CB-CD1 4.16Å; E943-L977 HydrophobicContact CG-CD1 3.6Å; E943-L1000 CarbonylContact C-O 3.59Å; E943-L1000 WeakPolarHBondContact CA-O 3.39Å; E943-K1044 HydrophobicContact CB-CB 3.86Å; E943-K1044 HydrophobicContact CB-CD 3.82Å; E943-K1044 VanDerWaalsContact CD-CD 3.44Å; E943-K1044 HydrophobicContact CG-CD 4.02Å; E943-K1044 PolarHBondContact O-N 2.98Å; E943-K1044 IonicContact OE1-NZ 3.28Å; E943-K1044 PolarHBondContact OE1-NZ 3.02Å; E943-K1044 WeakPolarHBondContact OE2-CD 3.35Å; E943-K1044 WeakPolarHBondContact OE2-CE 3.16Å; E943-K1044 IonicContact OE2-NZ 3.45Å; E943-K1044 PolarHBondContact OE2-NZ 2.66Å |
| 944 | Y | 80 | Confident | 73 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.6 | 177.9 | -61.8 | -93.9 | 0 | 0 | 0 | 108.9 | I899 L936 E942 K999 L1000 I1002 V1041 K1042 I1043 | I899-Y944 HydrophobicContact CD1-CE1 4.35Å; L936-Y944 HydrophobicContact CD1-CE2 4.49Å; L936-Y944 HydrophobicContact CD2-CD1 4.34Å; L936-Y944 HydrophobicContact CD2-CE1 3.73Å; E942-Y944 HydrophobicContact CB-CD2 4.42Å; E942-Y944 HydrophobicContact CB-CE2 3.64Å; E942-Y944 HydrophobicContact CG-CE2 4.1Å; E942-Y944 VanDerWaalsContact O-CD2 3.29Å; E942-Y944 WeakPolarHBondContact O-CD2 3.16Å; E942-Y944 WeakPolarHBondContact O-CE2 3.11Å; Y944-K999 WeakPolarHBondContact O-CA 3.32Å; Y944-L1000 PolarHBondContact N-O 3.28Å; Y944-L1000 PolarHBondContact O-N 3.48Å; Y944-I1002 HydrophobicContact CD2-CB 3.78Å; Y944-I1002 HydrophobicContact CD2-CD1 3.65Å; Y944-I1002 HydrophobicContact CD2-CG1 3.75Å; Y944-I1002 HydrophobicContact CE2-CB 3.73Å; Y944-I1002 HydrophobicContact CE2-CD1 4.17Å; Y944-I1002 HydrophobicContact CE2-CG1 4.21Å; Y944-I1002 HydrophobicContact CG-CD1 4.07Å; Y944-V1041 HydrophobicContact CD1-CG1 3.8Å; Y944-K1042 CarbonylContact C-O 3.31Å; Y944-K1042 WeakPolarHBondContact CA-O 3.49Å; Y944-I1043 HydrophobicContact CD1-CG1 4.06Å; Y944-I1043 HydrophobicContact CE1-CD1 4.2Å; Y944-I1043 HydrophobicContact CE1-CG1 3.94Å; Y944-I1043 HydrophobicContact CE1-CG2 4.33Å |
| 945 | E | 84.7 | Confident | 72.9 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 104.7 | 165.4 | 176.4 | 170.3 | -145 | 0 | 0 | 107.2 | V998 K999 K1042 | E945-V998 WeakPolarHBondContact CA-O 3.47Å; E945-K999 HydrophobicContact CB-CG 4.17Å; E945-K999 VanDerWaalsContact CD-CE 3.46Å; E945-K999 HydrophobicContact CG-CG 4.16Å; E945-K999 WeakPolarHBondContact OE1-CE 3.29Å; E945-K999 IonicContact OE1-NZ 2.91Å; E945-K1042 HydrophobicContact CB-CB 4.2Å; E945-K1042 PolarHBondContact N-O 3.35Å; E945-K1042 PolarHBondContact O-N 2.73Å |
| 946 | I | 83 | Confident | 73.3 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.6 | 178.1 | -53.4 | -178.7 | 0 | 0 | 0 | 106.8 | I934 F948 S997 V998 L1000 V1014 V1041 | I934-I946 HydrophobicContact CD1-CD1 4.23Å; I946-F948 HydrophobicContact CG2-CD2 4.29Å; I946-F948 HydrophobicContact CG2-CE2 3.56Å; I946-F948 HydrophobicContact CG2-CZ 4.21Å; I946-S997 CarbonylContact O-C 3.6Å; I946-S997 VanDerWaalsContact O-CA 3.29Å; I946-S997 WeakPolarHBondContact O-CA 3.23Å; I946-V998 HydrophobicContact CB-CG1 4.05Å; I946-V998 PolarHBondContact N-O 3.38Å; I946-V998 PolarHBondContact O-N 2.74Å; I946-L1000 HydrophobicContact CD1-CD1 3.81Å; I946-L1000 HydrophobicContact CG1-CD1 4.42Å; I946-V1014 HydrophobicContact CD1-CG2 4.04Å; I946-V1041 HydrophobicContact CG1-CG1 4.45Å; I946-V1041 HydrophobicContact CG1-CG2 4.29Å; I946-V1041 HydrophobicContact CG2-CG2 4.33Å |
| 947 | S | 85.2 | Confident | 73.8 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.9 | 179.8 | 61 | 0 | 0 | 0 | 0 | 111.7 | A996 G1039 N1040 | S947-A996 CarbonylContact C-O 3.58Å; S947-A996 WeakPolarHBondContact CA-O 3.38Å; S947-G1039 CarbonylContact O-C 3.47Å; S947-G1039 VanDerWaalsContact O-CA 3.23Å; S947-G1039 WeakPolarHBondContact O-CA 3.34Å; S947-N1040 PolarHBondContact N-O 2.89Å; S947-N1040 PolarHBondContact O-N 3.28Å; S947-N1040 PolarHBondContact OG-O 2.98Å |
| 948 | F | 86 | Confident | 74.7 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.8 | 171.9 | -67.3 | -90.4 | 0 | 0 | 0 | 109.3 | I946 I960 I963 M995 A996 V1014 V1016 I1037 I1038 L1052 | I946-F948 HydrophobicContact CG2-CD2 4.29Å; I946-F948 HydrophobicContact CG2-CE2 3.56Å; I946-F948 HydrophobicContact CG2-CZ 4.21Å; F948-I960 HydrophobicContact CB-CD1 4.04Å; F948-I960 WeakPolarHBondContact O-CD1 3.23Å; F948-I963 HydrophobicContact CD2-CD1 3.76Å; F948-I963 HydrophobicContact CD2-CG1 4.27Å; F948-I963 HydrophobicContact CE2-CD1 4.43Å; F948-M995 CarbonylContact O-C 3.33Å; F948-M995 VanDerWaalsContact O-CA 3.32Å; F948-M995 WeakPolarHBondContact O-CA 3.38Å; F948-A996 PolarHBondContact N-O 2.97Å; F948-A996 PolarHBondContact O-N 2.66Å; F948-V1014 HydrophobicContact CE2-CG1 3.71Å; F948-V1014 HydrophobicContact CZ-CG1 4.02Å; F948-V1016 HydrophobicContact CB-CG1 4.47Å; F948-V1016 HydrophobicContact CD1-CG2 3.85Å; F948-V1016 HydrophobicContact CD2-CG2 3.61Å; F948-V1016 HydrophobicContact CE1-CG2 3.73Å; F948-V1016 HydrophobicContact CE2-CG2 3.49Å; F948-V1016 VanDerWaalsContact CE2-CG2 3.49Å; F948-V1016 HydrophobicContact CG-CG1 4.39Å; F948-V1016 HydrophobicContact CG-CG2 3.78Å; F948-V1016 HydrophobicContact CZ-CG2 3.55Å; F948-I1037 HydrophobicContact CD1-CG2 4.42Å; F948-I1038 CarbonylContact C-O 3.59Å; F948-I1038 WeakPolarHBondContact CA-O 3.13Å; F948-L1052 HydrophobicContact CE1-CD1 3.88Å; F948-L1052 HydrophobicContact CZ-CD1 3.74Å |
| 949 | S | 83.5 | Confident | 75.4 | Confident | 36 Ų | 36 | 33.8 Ų | 33.8 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.8 | 177.9 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | D994 I1038 | S949-D994 WeakPolarHBondContact CA-O 3.06Å; S949-I1038 PolarHBondContact N-O 3.14Å; S949-I1038 PolarHBondContact O-N 2.83Å |
| 950 | T | 76.9 | Confident | 76 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 110 | I960 D994 I1037 | T950-I960 HydrophobicContact CG2-CG1 4.43Å; T950-D994 PolarHBondContact N-O 2.86Å; T950-D994 PolarHBondContact OG1-N 3.29Å; T950-I1037 HydrophobicContact CG2-CG1 4.31Å |
| 951 | L | 69.6 | Low | 76 | Confident | 61 Ų | 61 | 32.1 Ų | 32.1 | 32% | 0.319 | 18% | 0.181 | S | C | . | . | trans | -69 | 138.7 | 173.4 | -87.5 | 163.7 | 0 | 0 | 0 | 110.6 | N953 S954 K1036 I1038 | L951-N953 PolarHBondContact O-N 3.21Å; L951-N953 VanDerWaalsContact O-N 3.15Å; L951-S954 WeakPolarHBondContact O-CB 3.48Å; L951-S954 PolarHBondContact O-N 3.28Å; L951-S954 VanDerWaalsContact O-N 3.08Å; L951-S954 PolarHBondContact O-OG 2.79Å; L951-K1036 HydrophobicContact CD1-CB 3.9Å; L951-K1036 HydrophobicContact CD1-CD 3.67Å; L951-K1036 HydrophobicContact CD1-CG 3.78Å; L951-K1036 PolarHBondContact N-O 3.06Å; L951-I1038 HydrophobicContact CD1-CD1 3.77Å; L951-I1038 HydrophobicContact CD1-CG1 4.23Å; L951-I1038 HydrophobicContact CD2-CD1 3.6Å; L951-I1038 HydrophobicContact CG-CD1 3.54Å; L951-I1038 HydrophobicContact CG-CG1 4.13Å | ||
| 952 | P | 60 | Low | 75.8 | Confident | 60 Ų | 60 | 32.9 Ų | 32.9 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.1 | -179.9 | 21.4 | -30.3 | 0 | 0 | 0 | 113.4 | P991 T993 | P952-P991 HydrophobicContact CB-CG 4.13Å; P952-P991 WeakPolarHBondContact O-CB 3.13Å; P952-P991 WeakPolarHBondContact O-CG 3.45Å; P952-T993 HydrophobicContact CB-CG2 3.87Å; P952-T993 HydrophobicContact CG-CG2 4.43Å |
| 953 | N | 60.9 | Low | 75.5 | Confident | 153 Ų | 153 | 32.3 Ų | 32.3 | 82% | 0.818 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 21.5 | 177.8 | -68.5 | 0.3 | 0 | 0 | 0 | 113.4 | L951 | L951-N953 PolarHBondContact O-N 3.21Å; L951-N953 VanDerWaalsContact O-N 3.15Å |
| 954 | S | 62.8 | Low | 74.8 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 22% | 0.217 | 18% | 0.175 | C | C | . | . | trans | -65.1 | 135.6 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | L951 W956 | L951-S954 WeakPolarHBondContact O-CB 3.48Å; L951-S954 PolarHBondContact O-N 3.28Å; L951-S954 VanDerWaalsContact O-N 3.08Å; L951-S954 PolarHBondContact O-OG 2.79Å; S954-W956 PolarHBondContact O-N 2.96Å | ||
| 955 | S | 70 | Confident | 74.1 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -79.9 | -8.3 | -174 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | Q1033 S1034 | S955-Q1033 WeakPolarHBondContact OG-CB 3.32Å; S955-Q1033 PolarHBondContact OG-OE1 3.11Å; S955-S1034 PolarHBondContact OG-N 3.11Å; S955-S1034 PolarHBondContact OG-O 3.32Å |
| 956 | W | 76.8 | Confident | 73 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -143.5 | 134.9 | 171.1 | -160.2 | -105.4 | 0 | 0 | 0 | 110.6 | S954 W1021 N1024 N1027 L1029 Q1033 V1035 | S954-W956 PolarHBondContact O-N 2.96Å; W956-W1021 PolarHBondContact NE1-O 3.16Å; W956-N1024 HydrophobicContact CH2-CB 4.32Å; W956-N1024 HydrophobicContact CZ2-CB 4.49Å; W956-N1027 WeakPolarHBondContact CH2-O 3.3Å; W956-L1029 HydrophobicContact CD2-CB 4.49Å; W956-L1029 HydrophobicContact CD2-CD1 3.57Å; W956-L1029 HydrophobicContact CE3-CD1 3.44Å; W956-L1029 VanDerWaalsContact CE3-CD1 3.44Å; W956-L1029 HydrophobicContact CG-CD1 4.14Å; W956-L1029 HydrophobicContact CH2-CB 3.79Å; W956-L1029 HydrophobicContact CH2-CD1 4.16Å; W956-L1029 VanDerWaalsContact CH2-N 3.35Å; W956-L1029 HydrophobicContact CZ2-CB 3.7Å; W956-L1029 HydrophobicContact CZ2-CD1 4.29Å; W956-L1029 HydrophobicContact CZ3-CB 4.23Å; W956-L1029 HydrophobicContact CZ3-CD1 3.74Å; W956-Q1033 HydrophobicContact CB-CB 3.97Å; W956-Q1033 HydrophobicContact CB-CG 4.44Å; W956-V1035 HydrophobicContact CB-CG2 4.29Å; W956-V1035 WeakPolarHBondContact O-CG2 3.12Å |
| 957 | P | 78.2 | Confident | 72 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | trans | -69.2 | 139.7 | -178.7 | 25.5 | -31.4 | 0 | 0 | 0 | 112.3 | W1021 N1024 | P957-W1021 HydrophobicContact CB-CD2 3.93Å; P957-W1021 HydrophobicContact CB-CE3 4.16Å; P957-W1021 HydrophobicContact CB-CG 4.16Å; P957-W1021 HydrophobicContact CG-CB 4.14Å; P957-W1021 HydrophobicContact CG-CD2 3.87Å; P957-W1021 HydrophobicContact CG-CE3 3.79Å; P957-W1021 HydrophobicContact CG-CG 4.04Å; P957-W1021 PolarHBondContact O-N 2.8Å; P957-W1021 VanDerWaalsContact O-N 3.09Å; P957-N1024 HydrophobicContact CG-CB 3.86Å | ||
| 958 | V | 79.7 | Confident | 70.6 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.9 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 109 | I1018 P1020 V1035 F1057 | V958-I1018 HydrophobicContact CG1-CB 3.96Å; V958-P1020 HydrophobicContact CG2-CB 4.16Å; V958-P1020 HydrophobicContact CG2-CG 4.38Å; V958-V1035 HydrophobicContact CB-CG1 4.31Å; V958-V1035 HydrophobicContact CG2-CB 4.21Å; V958-V1035 HydrophobicContact CG2-CG1 3.72Å; V958-V1035 HydrophobicContact CG2-CG2 3.79Å; V958-F1057 HydrophobicContact CG1-CZ 4.21Å; V958-F1057 HydrophobicContact CG2-CZ 4.05Å |
| 959 | D | 77 | Confident | 69.1 | Low | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.7 | 173.8 | -84.3 | 15.3 | 0 | 0 | 0 | 110.5 | K984 I1018 R1019 W1021 T1149 | D959-K984 IonicContact OD2-NZ 2.75Å; D959-I1018 CarbonylContact O-C 3.4Å; D959-I1018 VanDerWaalsContact O-CA 3.32Å; D959-I1018 WeakPolarHBondContact O-CA 3.29Å; D959-R1019 PolarHBondContact N-O 2.82Å; D959-R1019 PolarHBondContact O-N 2.82Å; D959-W1021 PolarHBondContact OD1-NE1 2.81Å; D959-T1149 HydrophobicContact CB-CG2 3.95Å; D959-T1149 WeakPolarHBondContact OD2-CA 3.44Å; D959-T1149 WeakPolarHBondContact OD2-CB 3.41Å; D959-T1149 WeakPolarHBondContact OD2-CG2 3.47Å |
| 960 | I | 77.1 | Confident | 67.8 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.2 | 164.3 | -56.3 | 175.2 | 0 | 0 | 0 | 107 | F948 T950 D994 A996 V1016 | F948-I960 HydrophobicContact CB-CD1 4.04Å; F948-I960 WeakPolarHBondContact O-CD1 3.23Å; T950-I960 HydrophobicContact CG2-CG1 4.43Å; I960-D994 HydrophobicContact CG1-CB 4.45Å; I960-A996 HydrophobicContact CB-CB 4.27Å; I960-A996 HydrophobicContact CD1-CB 4.48Å; I960-A996 HydrophobicContact CG2-CB 3.61Å; I960-V1016 HydrophobicContact CG2-CG1 3.8Å |
| 961 | I | 70.8 | Confident | 67.1 | Low | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -53.8 | -175 | -59.9 | 165.7 | 0 | 0 | 0 | 110.4 | I927 F1017 R1019 T1149 | I927-I961 HydrophobicContact CB-CD1 4.35Å; I927-I961 HydrophobicContact CD1-CD1 3.69Å; I927-I961 HydrophobicContact CG1-CD1 3.62Å; I927-I961 HydrophobicContact CG2-CD1 3.92Å; I961-F1017 HydrophobicContact CB-CB 4.16Å; I961-F1017 PolarHBondContact N-O 3.19Å; I961-R1019 HydrophobicContact CD1-CB 3.58Å; I961-R1019 HydrophobicContact CG1-CB 4.02Å; I961-T1149 HydrophobicContact CG1-CG2 4.32Å |
| 962 | D | 69.6 | Low | 67 | Low | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 162.5 | -175.9 | -154.5 | -1.7 | 0 | 0 | 0 | 111.4 | F1017 | D962-F1017 HydrophobicContact CB-CD2 4.38Å; D962-F1017 PolarHBondContact O-N 2.64Å |
| 963 | I | 71 | Confident | 67.5 | Low | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.8 | 171.3 | -60.6 | 170.7 | 0 | 0 | 0 | 107.2 | F948 I965 Y980 A996 V998 V1014 D1015 | F948-I963 HydrophobicContact CD2-CD1 3.76Å; F948-I963 HydrophobicContact CD2-CG1 4.27Å; F948-I963 HydrophobicContact CE2-CD1 4.43Å; I963-I965 HydrophobicContact CG2-CG1 4.31Å; I963-Y980 WeakPolarHBondContact O-CD1 3.48Å; I963-Y980 WeakPolarHBondContact O-CE1 3.35Å; I963-A996 HydrophobicContact CD1-CB 3.49Å; I963-A996 VanDerWaalsContact CD1-CB 3.49Å; I963-A996 HydrophobicContact CG1-CB 3.99Å; I963-V998 HydrophobicContact CG2-CG1 4.38Å; I963-V1014 HydrophobicContact CG2-CG1 3.4Å; I963-D1015 CarbonylContact C-O 3.57Å; I963-D1015 WeakPolarHBondContact CA-O 3.43Å |
| 964 | L | 67.8 | Low | 67.9 | Low | 34 Ų | 34 | 29.3 Ų | 29.3 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.7 | 172.8 | -176.9 | 74.6 | 0 | 0 | 0 | 109.7 | M966 V1014 D1015 F1017 F1184 | L964-M966 HydrophobicContact CD2-CG 3.98Å; L964-M966 HydrophobicContact CD2-SD 3.83Å; L964-M966 HydrophobicContact CG-CG 4.08Å; L964-V1014 WeakPolarHBondContact O-CA 3.36Å; L964-D1015 HydrophobicContact CB-CB 4.37Å; L964-D1015 PolarHBondContact N-O 2.87Å; L964-D1015 PolarHBondContact O-N 3.44Å; L964-F1017 HydrophobicContact CB-CE2 3.95Å; L964-F1184 HydrophobicContact CD2-CD1 4.13Å; L964-F1184 HydrophobicContact CD2-CE1 4.4Å |
| 965 | I | 65.6 | Low | 68.2 | Low | 20 Ų | 20 | 30.2 Ų | 30.2 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.8 | 175.5 | -57.6 | 133.2 | 0 | 0 | 0 | 108.9 | I963 I974 Y980 V998 L1000 V1012 R1013 V1014 | I963-I965 HydrophobicContact CG2-CG1 4.31Å; I965-I974 HydrophobicContact CG2-CD1 3.79Å; I965-Y980 HydrophobicContact CD1-CE1 3.93Å; I965-V998 HydrophobicContact CD1-CB 4.45Å; I965-V998 HydrophobicContact CD1-CG1 3.76Å; I965-V998 HydrophobicContact CD1-CG2 3.97Å; I965-L1000 HydrophobicContact CD1-CD1 3.28Å; I965-L1000 HydrophobicContact CD1-CD2 3.56Å; I965-L1000 HydrophobicContact CD1-CG 3.89Å; I965-L1000 HydrophobicContact CG1-CD1 3.94Å; I965-L1000 HydrophobicContact CG2-CD1 4.3Å; I965-V1012 HydrophobicContact CG2-CG1 3.31Å; I965-R1013 CarbonylContact C-O 3.53Å; I965-R1013 WeakPolarHBondContact CA-O 3.34Å; I965-V1014 HydrophobicContact CG1-CG1 4.39Å; I965-V1014 HydrophobicContact CG1-CG2 4.31Å |
| 966 | M | 62.4 | Low | 67.7 | Low | 61 Ų | 61 | 31.8 Ų | 31.8 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.3 | 178.4 | -57.9 | -166.9 | -58 | 0 | 0 | 110.4 | L964 V968 R1013 D1015 | L964-M966 HydrophobicContact CD2-CG 3.98Å; L964-M966 HydrophobicContact CD2-SD 3.83Å; L964-M966 HydrophobicContact CG-CG 4.08Å; M966-V968 PolarHBondContact O-N 2.91Å; M966-R1013 HydrophobicContact CB-CB 4.34Å; M966-R1013 HydrophobicContact CB-CG 4.26Å; M966-R1013 HydrophobicContact CE-CG 3.91Å; M966-R1013 PolarHBondContact N-O 3.3Å; M966-R1013 PolarHBondContact O-N 2.83Å; M966-D1015 WeakPolarHBondContact CE-OD2 3.49Å |
| 967 | D | 61.4 | Low | 66.3 | Low | 80 Ų | 80 | 34.7 Ų | 34.7 | 43% | 0.428 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.2 | 172.5 | 57.2 | -23 | 0 | 0 | 0 | 110.1 | K802 S969 V972 I974 | K802-D967 IonicContact NZ-OD2 3.58Å; K802-D967 PolarHBondContact NZ-OD2 2.89Å; D967-S969 VanDerWaalsContact C-N 3.25Å; D967-V972 HydrophobicContact CB-CB 4.42Å; D967-I974 HydrophobicContact CB-CD1 4.16Å |
| 968 | V | 55 | Low | 65.1 | Low | 23 Ų | 23 | 35.3 Ų | 35.3 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -80.9 | -13.9 | 177 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | R396 M966 E1011 R1013 | R396-V968 VanDerWaalsContact CZ-O 3.29Å; R396-V968 PolarHBondContact NH1-O 3.46Å; M966-V968 PolarHBondContact O-N 2.91Å; V968-E1011 HydrophobicContact CB-CB 4.07Å; V968-E1011 WeakPolarHBondContact CB-O 3.4Å; V968-E1011 HydrophobicContact CG1-CB 4.41Å; V968-E1011 HydrophobicContact CG2-CB 4.16Å; V968-E1011 WeakPolarHBondContact CG2-O 2.94Å; V968-E1011 PolarHBondContact N-O 2.04Å; V968-R1013 HydrophobicContact CG2-CB 3.61Å |
| 969 | S | 55.4 | Low | 63.8 | Low | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -139.5 | 151.5 | -177.9 | 97.5 | 0 | 0 | 0 | 0 | 113.6 | D967 Y971 V972 G1009 | D967-S969 VanDerWaalsContact C-N 3.25Å; S969-Y971 PolarHBondContact O-N 2.74Å; S969-Y971 PolarHBondContact OG-N 3.1Å; S969-Y971 VanDerWaalsContact OG-N 3.17Å; S969-V972 PolarHBondContact O-N 3.43Å; S969-G1009 VanDerWaalsContact CB-O 3.22Å; S969-G1009 WeakPolarHBondContact CB-O 3.09Å; S969-G1009 PolarHBondContact OG-O 2.85Å |
| 970 | N | 56.2 | Low | 62.9 | Low | 85 Ų | 85 | 45 Ų | 45 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.5 | 175 | -68 | -14.6 | 0 | 0 | 0 | 113.3 | K802 | K802-N970 WeakPolarHBondContact CD-O 3.41Å; K802-N970 PolarHBondContact NZ-O 3.18Å |
| 971 | Y | 61.7 | Low | 61.6 | Low | 14 Ų | 14 | 50.1 Ų | 50.1 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.1 | -174.7 | -55.4 | -77.4 | 0 | 0 | 0 | 114.1 | P397 S398 L752 I768 M854 S969 W973 P1005 F1008 | P397-Y971 PolarHBondContact O-OH 2.65Å; S398-Y971 WeakPolarHBondContact CA-OH 3.32Å; S398-Y971 PolarHBondContact N-OH 2.86Å; L752-Y971 HydrophobicContact CD2-CE1 3.93Å; I768-Y971 HydrophobicContact CD1-CD1 4.05Å; M854-Y971 HydrophobicContact CE-CD1 3.37Å; M854-Y971 HydrophobicContact CE-CE1 3.34Å; M854-Y971 HydrophobicContact SD-CE1 4.02Å; S969-Y971 PolarHBondContact O-N 2.74Å; S969-Y971 PolarHBondContact OG-N 3.1Å; S969-Y971 VanDerWaalsContact OG-N 3.17Å; Y971-W973 VanDerWaalsContact C-CZ3 3.47Å; Y971-W973 VanDerWaalsContact O-CE3 3.24Å; Y971-W973 WeakPolarHBondContact O-CZ3 3.41Å; Y971-P1005 WeakPolarHBondContact O-CD 3.46Å; Y971-F1008 HydrophobicContact CD2-CB 4.46Å; Y971-F1008 HydrophobicContact CG-CB 4.44Å |
| 972 | V | 67.3 | Low | 60.8 | Low | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | trans | -98.3 | 131.5 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 109 | K802 D967 S969 I974 I1002 G1009 V1012 | K802-V972 PolarHBondContact NZ-O 2.87Å; D967-V972 HydrophobicContact CB-CB 4.42Å; S969-V972 PolarHBondContact O-N 3.43Å; V972-I974 HydrophobicContact CG1-CD1 4.33Å; V972-I974 HydrophobicContact CG1-CG1 3.83Å; V972-I1002 HydrophobicContact CG1-CG2 3.59Å; V972-G1009 WeakPolarHBondContact CG2-O 3.28Å; V972-V1012 HydrophobicContact CG1-CG2 4.04Å | ||
| 973 | W | 70.7 | Confident | 59.9 | Low | 21 Ų | 21 | 52 Ų | 52 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.8 | 168.2 | -75.9 | -103.2 | 0 | 0 | 0 | 108.5 | F766 I768 D800 K802 M854 P856 Y971 C1003 | F766-W973 HydrophobicContact CE1-CD2 4.16Å; F766-W973 AromaticContact CE1-CE3 3.3Å; F766-W973 HydrophobicContact CE1-CE3 3.3Å; F766-W973 HydrophobicContact CE1-CH2 4.41Å; F766-W973 AromaticContact CE1-CZ3 3.47Å; F766-W973 HydrophobicContact CE1-CZ3 3.47Å; F766-W973 VanDerWaalsContact CE1-CZ3 3.47Å; F766-W973 HydrophobicContact CZ-CB 4.25Å; F766-W973 AromaticContact CZ-CD2 3.69Å; F766-W973 HydrophobicContact CZ-CD2 3.69Å; F766-W973 AromaticContact CZ-CE3 3.32Å; F766-W973 HydrophobicContact CZ-CE3 3.32Å; F766-W973 HydrophobicContact CZ-CG 4.1Å; F766-W973 AromaticContact CZ-CZ3 3.81Å; F766-W973 HydrophobicContact CZ-CZ3 3.81Å; I768-W973 HydrophobicContact CD1-CH2 3.64Å; I768-W973 HydrophobicContact CD1-CZ3 3.59Å; I768-W973 HydrophobicContact CG1-CH2 3.85Å; I768-W973 HydrophobicContact CG1-CZ3 3.98Å; I768-W973 HydrophobicContact CG2-CH2 4.42Å; D800-W973 PolarHBondContact O-NE1 3.21Å; K802-W973 HydrophobicContact CD-CZ2 4.3Å; K802-W973 HydrophobicContact CG-CZ2 4.3Å; M854-W973 HydrophobicContact CE-CH2 3.74Å; M854-W973 HydrophobicContact CE-CZ2 4.47Å; P856-W973 HydrophobicContact CB-CD2 4.17Å; P856-W973 HydrophobicContact CB-CH2 4.16Å; P856-W973 HydrophobicContact CB-CZ2 3.86Å; P856-W973 HydrophobicContact CB-CZ3 4.5Å; P856-W973 HydrophobicContact CG-CD2 4.21Å; P856-W973 HydrophobicContact CG-CG 4.5Å; P856-W973 HydrophobicContact CG-CH2 4.49Å; P856-W973 HydrophobicContact CG-CZ2 3.71Å; Y971-W973 VanDerWaalsContact C-CZ3 3.47Å; Y971-W973 VanDerWaalsContact O-CE3 3.24Å; Y971-W973 WeakPolarHBondContact O-CZ3 3.41Å; W973-C1003 HydrophobicContact CB-CB 4.25Å; W973-C1003 PolarHBondContact N-O 2.76Å; W973-C1003 PolarHBondContact O-N 3.09Å |
| 974 | I | 70.6 | Confident | 59 | Low | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.6 | 178.5 | -55.5 | 171.8 | 0 | 0 | 0 | 105.7 | I965 D967 V972 L1000 V1012 | I965-I974 HydrophobicContact CG2-CD1 3.79Å; D967-I974 HydrophobicContact CB-CD1 4.16Å; V972-I974 HydrophobicContact CG1-CD1 4.33Å; V972-I974 HydrophobicContact CG1-CG1 3.83Å; I974-L1000 HydrophobicContact CG2-CD2 4.12Å; I974-V1012 HydrophobicContact CD1-CG1 4.25Å |
| 975 | S | 68.2 | Low | 58.1 | Low | 50 Ų | 50 | 59.8 Ų | 59.8 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121 | 168.9 | 66.7 | 0 | 0 | 0 | 0 | 108.9 | L977 K1001 | S975-L977 PolarHBondContact O-N 3.46Å; S975-K1001 PolarHBondContact N-O 3.43Å; S975-K1001 PolarHBondContact O-N 2.83Å; S975-K1001 WeakPolarHBondContact OG-CB 3.02Å |
| 976 | D | 59.5 | Low | 57.2 | Low | 87 Ų | 87 | 62.5 Ų | 62.5 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.1 | 177.9 | -65.5 | -12.2 | 0 | 0 | 0 | 109 | L1000 | D976-L1000 WeakPolarHBondContact OD1-CD2 3.45Å |
| 977 | L | 47 | Very low | 56.3 | Low | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -91 | -19.8 | -180 | -70.3 | 175.2 | 0 | 0 | 0 | 112.5 | E943 S975 K999 K1001 | E943-L977 HydrophobicContact CB-CD1 4.16Å; E943-L977 HydrophobicContact CG-CD1 3.6Å; S975-L977 PolarHBondContact O-N 3.46Å; L977-K999 HydrophobicContact CB-CB 4.45Å; L977-K999 PolarHBondContact N-O 2.96Å; L977-K1001 HydrophobicContact CD1-CB 3.84Å; L977-K1001 HydrophobicContact CD2-CB 4.13Å; L977-K1001 HydrophobicContact CG-CB 3.9Å |
| 978 | S | 52.9 | Low | 55.5 | Low | 31 Ų | 31 | 72.2 Ų | 72.2 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -141.2 | 142.5 | 178.2 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | Y980 K999 | S978-Y980 PolarHBondContact O-N 2.79Å; S978-K999 WeakPolarHBondContact OG-CB 3.44Å; S978-K999 PolarHBondContact OG-N 3.13Å |
| 979 | D | 53.7 | Low | 55.4 | Low | 144 Ų | 144 | 75.6 Ų | 75.6 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | trans | -51.1 | 142 | 163.2 | -66.9 | -39.9 | 0 | 0 | 0 | 109.4 | Q981 | D979-Q981 WeakPolarHBondContact O-CG 3.27Å; D979-Q981 PolarHBondContact O-N 3.14Å; D979-Q981 VanDerWaalsContact O-N 3.09Å | ||
| 980 | Y | 56.4 | Low | 55.1 | Low | 68 Ų | 68 | 77.6 Ų | 77.6 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | trans | -51.8 | 117 | 176.8 | -69.6 | -94.6 | 0 | 0 | 0 | 110.2 | I963 I965 S978 V998 | I963-Y980 WeakPolarHBondContact O-CD1 3.48Å; I963-Y980 WeakPolarHBondContact O-CE1 3.35Å; I965-Y980 HydrophobicContact CD1-CE1 3.93Å; S978-Y980 PolarHBondContact O-N 2.79Å; Y980-V998 HydrophobicContact CD1-CB 4.09Å; Y980-V998 HydrophobicContact CD1-CG2 3.76Å; Y980-V998 HydrophobicContact CE1-CB 4.23Å; Y980-V998 HydrophobicContact CE1-CG2 3.65Å; Y980-V998 HydrophobicContact CG-CG2 4.43Å | ||
| 981 | Q | 51.1 | Low | 55 | Low | 109 Ų | 109 | 77 Ų | 77 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 105.9 | 179.1 | -70.9 | -171.8 | 5.8 | 0 | 0 | 110.1 | D979 I983 S997 | D979-Q981 WeakPolarHBondContact O-CG 3.27Å; D979-Q981 PolarHBondContact O-N 3.14Å; D979-Q981 VanDerWaalsContact O-N 3.09Å; Q981-I983 HydrophobicContact CB-CG1 4.1Å; Q981-I983 PolarHBondContact O-N 3.15Å; Q981-S997 PolarHBondContact N-O 3.33Å; Q981-S997 PolarHBondContact O-N 2.79Å; Q981-S997 VanDerWaalsContact O-O 3.06Å; Q981-S997 PolarHBondContact O-OG 3.41Å |
| 982 | V | 52.8 | Low | 54.7 | Low | 49 Ų | 49 | 78.5 Ų | 78.5 | 30% | 0.297 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 97.4 | 163.8 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | K984 M995 A996 | V982-K984 HydrophobicContact CG1-CD 4.21Å; V982-K984 VanDerWaalsContact CG1-CE 3.42Å; V982-K984 HydrophobicContact CG1-CG 3.82Å; V982-M995 CarbonylContact C-O 3.6Å; V982-A996 HydrophobicContact CG1-CB 4.16Å; V982-A996 HydrophobicContact CG2-CB 4.09Å |
| 983 | I | 51.8 | Low | 54.3 | Low | 66 Ų | 66 | 80.3 Ų | 80.3 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107.6 | 179.8 | -56.5 | 176.4 | 0 | 0 | 0 | 108.3 | Q981 Y985 M995 | Q981-I983 HydrophobicContact CB-CG1 4.1Å; Q981-I983 PolarHBondContact O-N 3.15Å; I983-Y985 HydrophobicContact CG2-CD2 4.45Å; I983-Y985 HydrophobicContact CG2-CE2 3.82Å; I983-M995 CarbonylContact C-O 3.57Å; I983-M995 PolarHBondContact N-O 3.19Å; I983-M995 PolarHBondContact O-N 3.24Å |
| 984 | K | 52.2 | Low | 54.2 | Low | 58 Ų | 58 | 79.4 Ų | 79.4 | 25% | 0.252 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119 | -170.6 | -53.6 | -168.8 | 174.1 | -147 | 0 | 111.2 | D959 V982 D994 | D959-K984 IonicContact OD2-NZ 2.75Å; V982-K984 HydrophobicContact CG1-CD 4.21Å; V982-K984 VanDerWaalsContact CG1-CE 3.42Å; V982-K984 HydrophobicContact CG1-CG 3.82Å; K984-D994 IonicContact NZ-OD2 2.78Å; K984-D994 PolarHBondContact NZ-OD2 2.6Å |
| 985 | Y | 49 | Very low | 54.3 | Low | 142 Ų | 142 | 80 Ų | 80 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 107.8 | 178.2 | -70.3 | -84.9 | 0 | 0 | 0 | 110.5 | I983 T993 | I983-Y985 HydrophobicContact CG2-CD2 4.45Å; I983-Y985 HydrophobicContact CG2-CE2 3.82Å; Y985-T993 PolarHBondContact N-O 2.69Å; Y985-T993 PolarHBondContact O-N 2.49Å |
| 986 | S | 45.9 | Very low | 54.7 | Low | 78 Ų | 78 | 77.6 Ų | 77.6 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | trans | -118.9 | 100.7 | 167.3 | 58.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 987 | R | 43.8 | Very low | 55.6 | Low | 207 Ų | 207 | 74 Ų | 74 | 78% | 0.781 | 41% | 0.41 | S | S | * | . | trans | -84.3 | 138.3 | 162.3 | -77.1 | 179.5 | -177.6 | 178.2 | 1.4 | 108.6 | G989 S990 | R987-G989 PolarHBondContact O-N 3.29Å; R987-S990 VanDerWaalsContact CB-OG 3.28Å; R987-S990 WeakPolarHBondContact CB-OG 3.4Å; R987-S990 PolarHBondContact O-N 2.86Å; R987-S990 PolarHBondContact O-OG 3.49Å | ||
| 988 | P | 45.3 | Very low | 57.1 | Low | 138 Ų | 138 | 70.1 Ų | 70.1 | 90% | 0.896 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 123.5 | 173.2 | -20.7 | 31 | 0 | 0 | 0 | 110.2 | ||
| 989 | G | 51.1 | Low | 58.3 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 97% | 0.969 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -4.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R987 | R987-G989 PolarHBondContact O-N 3.29Š|
| 990 | S | 49.4 | Very low | 59.5 | Low | 52 Ų | 52 | 66.5 Ų | 66.5 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -105.8 | 147.1 | 170.9 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | R987 T992 | R987-S990 VanDerWaalsContact CB-OG 3.28Å; R987-S990 WeakPolarHBondContact CB-OG 3.4Å; R987-S990 PolarHBondContact O-N 2.86Å; R987-S990 PolarHBondContact O-OG 3.49Å; S990-T992 PolarHBondContact O-N 3.18Å |
| 991 | P | 53.8 | Low | 60.6 | Low | 73 Ų | 73 | 65.8 Ų | 65.8 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | trans | -54.6 | 132.1 | 171.6 | 21.1 | -30 | 0 | 0 | 0 | 110.5 | P952 T993 | P952-P991 HydrophobicContact CB-CG 4.13Å; P952-P991 WeakPolarHBondContact O-CB 3.13Å; P952-P991 WeakPolarHBondContact O-CG 3.45Å; P991-T993 PolarHBondContact O-N 3.27Å | ||
| 992 | T | 55.7 | Low | 61.9 | Low | 45 Ų | 45 | 60.8 Ų | 60.8 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | trans | -64.5 | 118.7 | -179.4 | 2.3 | 0 | 0 | 0 | 0 | 110 | S990 | S990-T992 PolarHBondContact O-N 3.18Š| ||
| 993 | T | 60.6 | Low | 62.9 | Low | 40 Ų | 40 | 58.5 Ų | 58.5 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112 | 169.3 | 46.5 | 0 | 0 | 0 | 0 | 108.7 | P952 Y985 P991 | P952-T993 HydrophobicContact CB-CG2 3.87Å; P952-T993 HydrophobicContact CG-CG2 4.43Å; Y985-T993 PolarHBondContact N-O 2.69Å; Y985-T993 PolarHBondContact O-N 2.49Å; P991-T993 PolarHBondContact O-N 3.27Å |
| 994 | D | 66.8 | Low | 63.8 | Low | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.8 | 171 | -92.2 | 13.3 | 0 | 0 | 0 | 107.9 | S949 T950 I960 K984 R1152 | S949-D994 WeakPolarHBondContact CA-O 3.06Å; T950-D994 PolarHBondContact N-O 2.86Å; T950-D994 PolarHBondContact OG1-N 3.29Å; I960-D994 HydrophobicContact CG1-CB 4.45Å; K984-D994 IonicContact NZ-OD2 2.78Å; K984-D994 PolarHBondContact NZ-OD2 2.6Å; D994-R1152 IonicContact OD1-CZ 3.01Å; D994-R1152 IonicContact OD1-NH1 3.62Å; D994-R1152 PolarHBondContact OD1-NH1 3.37Å; D994-R1152 IonicContact OD2-NH1 2.8Å |
| 995 | M | 73.2 | Confident | 64.5 | Low | 63 Ų | 63 | 53 Ų | 53 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123 | 174.2 | -174.5 | 176 | 179.4 | 0 | 0 | 108.7 | F948 V982 I983 | F948-M995 CarbonylContact O-C 3.33Å; F948-M995 VanDerWaalsContact O-CA 3.32Å; F948-M995 WeakPolarHBondContact O-CA 3.38Å; V982-M995 CarbonylContact C-O 3.6Å; I983-M995 CarbonylContact C-O 3.57Å; I983-M995 PolarHBondContact N-O 3.19Å; I983-M995 PolarHBondContact O-N 3.24Å |
| 996 | A | 77 | Confident | 64.8 | Low | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | S947 F948 I960 I963 V982 | S947-A996 CarbonylContact C-O 3.58Å; S947-A996 WeakPolarHBondContact CA-O 3.38Å; F948-A996 PolarHBondContact N-O 2.97Å; F948-A996 PolarHBondContact O-N 2.66Å; I960-A996 HydrophobicContact CB-CB 4.27Å; I960-A996 HydrophobicContact CD1-CB 4.48Å; I960-A996 HydrophobicContact CG2-CB 3.61Å; I963-A996 HydrophobicContact CD1-CB 3.49Å; I963-A996 VanDerWaalsContact CD1-CB 3.49Å; I963-A996 HydrophobicContact CG1-CB 3.99Å; V982-A996 HydrophobicContact CG1-CB 4.16Å; V982-A996 HydrophobicContact CG2-CB 4.09Å |
| 997 | S | 79 | Confident | 65.1 | Low | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.3 | 179.8 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | I946 Q981 | I946-S997 CarbonylContact O-C 3.6Å; I946-S997 VanDerWaalsContact O-CA 3.29Å; I946-S997 WeakPolarHBondContact O-CA 3.23Å; Q981-S997 PolarHBondContact N-O 3.33Å; Q981-S997 PolarHBondContact O-N 2.79Å; Q981-S997 VanDerWaalsContact O-O 3.06Å; Q981-S997 PolarHBondContact O-OG 3.41Å |
| 998 | V | 76.7 | Confident | 65.5 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130 | 177.8 | 61 | 0 | 0 | 0 | 0 | 109.4 | E945 I946 I963 I965 Y980 L1000 | E945-V998 WeakPolarHBondContact CA-O 3.47Å; I946-V998 HydrophobicContact CB-CG1 4.05Å; I946-V998 PolarHBondContact N-O 3.38Å; I946-V998 PolarHBondContact O-N 2.74Å; I963-V998 HydrophobicContact CG2-CG1 4.38Å; I965-V998 HydrophobicContact CD1-CB 4.45Å; I965-V998 HydrophobicContact CD1-CG1 3.76Å; I965-V998 HydrophobicContact CD1-CG2 3.97Å; Y980-V998 HydrophobicContact CD1-CB 4.09Å; Y980-V998 HydrophobicContact CD1-CG2 3.76Å; Y980-V998 HydrophobicContact CE1-CB 4.23Å; Y980-V998 HydrophobicContact CE1-CG2 3.65Å; Y980-V998 HydrophobicContact CG-CG2 4.43Å; V998-L1000 HydrophobicContact CG1-CD1 4.24Å; V998-L1000 HydrophobicContact CG1-CG 4.33Å; V998-L1000 HydrophobicContact CG2-CD2 3.62Å; V998-L1000 HydrophobicContact CG2-CG 3.96Å |
| 999 | K | 79.7 | Confident | 65.9 | Low | 99 Ų | 99 | 34.3 Ų | 34.3 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.2 | 174.9 | -62.8 | 179.5 | 176.9 | 173.4 | 0 | 109.3 | Y944 E945 L977 S978 | Y944-K999 WeakPolarHBondContact O-CA 3.32Å; E945-K999 HydrophobicContact CB-CG 4.17Å; E945-K999 VanDerWaalsContact CD-CE 3.46Å; E945-K999 HydrophobicContact CG-CG 4.16Å; E945-K999 WeakPolarHBondContact OE1-CE 3.29Å; E945-K999 IonicContact OE1-NZ 2.91Å; L977-K999 HydrophobicContact CB-CB 4.45Å; L977-K999 PolarHBondContact N-O 2.96Å; S978-K999 WeakPolarHBondContact OG-CB 3.44Å; S978-K999 PolarHBondContact OG-N 3.13Å |
| 1000 | L | 78 | Confident | 66.3 | Low | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.7 | -174.3 | -55.2 | 165.7 | 0 | 0 | 0 | 108.8 | E943 Y944 I946 I965 I974 D976 V998 I1002 | E943-L1000 CarbonylContact C-O 3.59Å; E943-L1000 WeakPolarHBondContact CA-O 3.39Å; Y944-L1000 PolarHBondContact N-O 3.28Å; Y944-L1000 PolarHBondContact O-N 3.48Å; I946-L1000 HydrophobicContact CD1-CD1 3.81Å; I946-L1000 HydrophobicContact CG1-CD1 4.42Å; I965-L1000 HydrophobicContact CD1-CD1 3.28Å; I965-L1000 HydrophobicContact CD1-CD2 3.56Å; I965-L1000 HydrophobicContact CD1-CG 3.89Å; I965-L1000 HydrophobicContact CG1-CD1 3.94Å; I965-L1000 HydrophobicContact CG2-CD1 4.3Å; I974-L1000 HydrophobicContact CG2-CD2 4.12Å; D976-L1000 WeakPolarHBondContact OD1-CD2 3.45Å; V998-L1000 HydrophobicContact CG1-CD1 4.24Å; V998-L1000 HydrophobicContact CG1-CG 4.33Å; V998-L1000 HydrophobicContact CG2-CD2 3.62Å; V998-L1000 HydrophobicContact CG2-CG 3.96Å; L1000-I1002 HydrophobicContact CB-CD1 4.4Å; L1000-I1002 HydrophobicContact CB-CG1 4Å; L1000-I1002 HydrophobicContact CD1-CD1 4.25Å |
| 1001 | K | 79.3 | Confident | 67.2 | Low | 54 Ų | 54 | 31.6 Ų | 31.6 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.7 | 160 | -167.7 | 177.1 | 179.6 | 176.4 | 0 | 107.5 | C941 E942 S975 L977 | C941-K1001 HydrophobicContact CB-CG 4.48Å; E942-K1001 WeakPolarHBondContact O-CA 3.2Å; S975-K1001 PolarHBondContact N-O 3.43Å; S975-K1001 PolarHBondContact O-N 2.83Å; S975-K1001 WeakPolarHBondContact OG-CB 3.02Å; L977-K1001 HydrophobicContact CD1-CB 3.84Å; L977-K1001 HydrophobicContact CD2-CB 4.13Å; L977-K1001 HydrophobicContact CG-CB 3.9Å |
| 1002 | I | 78.2 | Confident | 68 | Low | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.2 | 178.5 | -50.7 | 172.3 | 0 | 0 | 0 | 107.7 | L936 E942 Y944 V972 L1000 V1012 | L936-I1002 HydrophobicContact CD1-CB 4.12Å; L936-I1002 HydrophobicContact CD1-CD1 3.68Å; L936-I1002 HydrophobicContact CD1-CG1 4.49Å; L936-I1002 HydrophobicContact CD1-CG2 3.55Å; E942-I1002 PolarHBondContact N-O 3.46Å; E942-I1002 PolarHBondContact O-N 2.83Å; Y944-I1002 HydrophobicContact CD2-CB 3.78Å; Y944-I1002 HydrophobicContact CD2-CD1 3.65Å; Y944-I1002 HydrophobicContact CD2-CG1 3.75Å; Y944-I1002 HydrophobicContact CE2-CB 3.73Å; Y944-I1002 HydrophobicContact CE2-CD1 4.17Å; Y944-I1002 HydrophobicContact CE2-CG1 4.21Å; Y944-I1002 HydrophobicContact CG-CD1 4.07Å; V972-I1002 HydrophobicContact CG1-CG2 3.59Å; L1000-I1002 HydrophobicContact CB-CD1 4.4Å; L1000-I1002 HydrophobicContact CB-CG1 4Å; L1000-I1002 HydrophobicContact CD1-CD1 4.25Å; I1002-V1012 HydrophobicContact CD1-CG2 4.28Å; I1002-V1012 HydrophobicContact CG2-CG2 4.17Å |
| 1003 | C | 74.1 | Confident | 68.9 | Low | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.5 | 177.6 | -59 | 0 | 0 | 0 | 0 | 109.3 | F766 C941 W973 | F766-C1003 HydrophobicContact CD1-CB 4.13Å; F766-C1003 HydrophobicContact CD2-CB 3.48Å; F766-C1003 VanDerWaalsContact CD2-CB 3.48Å; F766-C1003 HydrophobicContact CE1-CB 4.05Å; F766-C1003 HydrophobicContact CE2-CB 3.36Å; F766-C1003 HydrophobicContact CG-CB 3.81Å; F766-C1003 HydrophobicContact CZ-CB 3.65Å; C941-C1003 VanDerWaalsContact CA-SG 3.57Å; C941-C1003 HydrophobicContact CB-CB 4.13Å; C941-C1003 WeakPolarHBondContact CB-SG 3.46Å; C941-C1003 WeakPolarHBondContact SG-CB 3.36Å; C941-C1003 CovalentContact SG-SG 2.04Å; C941-C1003 PolarHBondContact SG-SG 3.35Å; W973-C1003 HydrophobicContact CB-CB 4.25Å; W973-C1003 PolarHBondContact N-O 2.76Å; W973-C1003 PolarHBondContact O-N 3.09Å |
| 1004 | A | 71.9 | Confident | 69.6 | Low | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -138.4 | 142.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | P939 K940 N1010 | P939-A1004 CarbonylContact C-O 3.44Å; P939-A1004 VanDerWaalsContact C-O 3.31Å; P939-A1004 VanDerWaalsContact CA-O 3.3Å; P939-A1004 WeakPolarHBondContact CA-O 3.48Å; K940-A1004 PolarHBondContact N-O 3.29Å; A1004-N1010 HydrophobicContact CB-CB 4.41Å | ||
| 1005 | P | 65.5 | Low | 70 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | trans | -77.3 | 160.3 | 174.8 | 32.7 | -36 | 0 | 0 | 0 | 111.7 | L753 I768 Y971 G1007 F1008 | L753-P1005 HydrophobicContact CD2-CB 3.83Å; I768-P1005 HydrophobicContact CD1-CB 4.27Å; I768-P1005 HydrophobicContact CD1-CG 3.84Å; Y971-P1005 WeakPolarHBondContact O-CD 3.46Å; P1005-G1007 PolarHBondContact O-N 2.84Å; P1005-F1008 HydrophobicContact CG-CB 4.26Å; P1005-F1008 HydrophobicContact CG-CD2 4.28Å | ||
| 1006 | A | 56.1 | Low | 70.2 | Confident | 31 Ų | 31 | 22.1 Ų | 22.1 | 26% | 0.256 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 127.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P939 F1008 | P939-A1006 HydrophobicContact CB-CB 3.43Å; P939-A1006 VanDerWaalsContact CB-CB 3.43Å; P939-A1006 HydrophobicContact CG-CB 4.27Å; A1006-F1008 VanDerWaalsContact O-CD2 3.29Å; A1006-F1008 WeakPolarHBondContact O-CD2 3.35Å |
| 1007 | G | 52.1 | Low | 70.3 | Confident | 63 Ų | 63 | 22.3 Ų | 22.3 | 65% | 0.649 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 10.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | P1005 | P1005-G1007 PolarHBondContact O-N 2.84Š|
| 1008 | F | 52.3 | Low | 70.4 | Confident | 38 Ų | 38 | 21.7 Ų | 21.7 | 17% | 0.167 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -123.5 | 148.8 | 176.7 | -64.3 | -83.4 | 0 | 0 | 0 | 111 | T399 Y971 P1005 A1006 N1010 | T399-F1008 HydrophobicContact CG2-CE1 3.69Å; T399-F1008 HydrophobicContact CG2-CE2 3.97Å; T399-F1008 HydrophobicContact CG2-CZ 3.29Å; Y971-F1008 HydrophobicContact CD2-CB 4.46Å; Y971-F1008 HydrophobicContact CG-CB 4.44Å; P1005-F1008 HydrophobicContact CG-CB 4.26Å; P1005-F1008 HydrophobicContact CG-CD2 4.28Å; A1006-F1008 VanDerWaalsContact O-CD2 3.29Å; A1006-F1008 WeakPolarHBondContact O-CD2 3.35Å; F1008-N1010 VanDerWaalsContact C-N 3.33Å; F1008-N1010 WeakPolarHBondContact O-CA 3.1Å; F1008-N1010 WeakPolarHBondContact O-CB 3.3Å; F1008-N1010 PolarHBondContact O-N 2.8Å |
| 1009 | G | 53.8 | Low | 70.6 | Confident | 40 Ų | 40 | 22 Ų | 22 | 41% | 0.412 | 13% | 0.134 | S | C | . | . | trans | -29.9 | 87.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S969 V972 E1011 | S969-G1009 VanDerWaalsContact CB-O 3.22Å; S969-G1009 WeakPolarHBondContact CB-O 3.09Å; S969-G1009 PolarHBondContact OG-O 2.85Å; V972-G1009 WeakPolarHBondContact CG2-O 3.28Å; G1009-E1011 PolarHBondContact O-N 2.94Å | ||
| 1010 | N | 59 | Low | 70.8 | Confident | 27 Ų | 27 | 17.3 Ų | 17.3 | 14% | 0.144 | 11% | 0.113 | C | C | . | . | trans | -95.3 | 23.6 | -173.3 | 55.7 | -9.5 | 0 | 0 | 0 | 111.1 | L936 N937 A1004 F1008 | L936-N1010 HydrophobicContact CB-CB 4.36Å; L936-N1010 WeakPolarHBondContact CB-O 3.32Å; L936-N1010 PolarHBondContact N-O 2.81Å; L936-N1010 WeakPolarHBondContact O-CB 3.23Å; L936-N1010 VanDerWaalsContact O-CG 3.27Å; L936-N1010 PolarHBondContact O-ND2 3.02Å; N937-N1010 WeakPolarHBondContact CA-ND2 3.44Å; N937-N1010 PolarHBondContact OD1-ND2 3.24Å; N937-N1010 VanDerWaalsContact OD1-ND2 3.08Å; A1004-N1010 HydrophobicContact CB-CB 4.41Å; F1008-N1010 VanDerWaalsContact C-N 3.33Å; F1008-N1010 WeakPolarHBondContact O-CA 3.1Å; F1008-N1010 WeakPolarHBondContact O-CB 3.3Å; F1008-N1010 PolarHBondContact O-N 2.8Å | ||
| 1011 | E | 67.4 | Low | 70.9 | Confident | 61 Ų | 61 | 18.5 Ų | 18.5 | 29% | 0.285 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.8 | 179.5 | -66.5 | -175.5 | -177.4 | 0 | 0 | 109.5 | R933 I934 V968 G1009 | R933-E1011 IonicContact NH1-OE2 3.79Å; I934-E1011 CarbonylContact O-C 3.59Å; I934-E1011 VanDerWaalsContact O-CA 3.32Å; I934-E1011 WeakPolarHBondContact O-CA 3.37Å; V968-E1011 HydrophobicContact CB-CB 4.07Å; V968-E1011 WeakPolarHBondContact CB-O 3.4Å; V968-E1011 HydrophobicContact CG1-CB 4.41Å; V968-E1011 HydrophobicContact CG2-CB 4.16Å; V968-E1011 WeakPolarHBondContact CG2-O 2.94Å; V968-E1011 PolarHBondContact N-O 2.04Å; G1009-E1011 PolarHBondContact O-N 2.94Å |
| 1012 | V | 72 | Confident | 70.6 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.9 | 169.3 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | I934 L936 I965 V972 I974 I1002 V1014 | I934-V1012 PolarHBondContact N-O 2.99Å; I934-V1012 PolarHBondContact O-N 3.02Å; L936-V1012 HydrophobicContact CD1-CB 4.33Å; L936-V1012 HydrophobicContact CD1-CG2 3.56Å; L936-V1012 HydrophobicContact CG-CG2 4.47Å; I965-V1012 HydrophobicContact CG2-CG1 3.31Å; V972-V1012 HydrophobicContact CG1-CG2 4.04Å; I974-V1012 HydrophobicContact CD1-CG1 4.25Å; I1002-V1012 HydrophobicContact CD1-CG2 4.28Å; I1002-V1012 HydrophobicContact CG2-CG2 4.17Å; V1012-V1014 HydrophobicContact CG1-CG2 4.36Å |
| 1013 | R | 73.4 | Confident | 70.3 | Confident | 23 Ų | 23 | 19.2 Ų | 19.2 | 9% | 0.087 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.5 | 175.8 | 157.6 | 162.7 | -166.7 | 177.7 | 17.7 | 108.4 | Y931 N932 I965 M966 V968 D1015 | Y931-R1013 HydrophobicContact CD2-CG 3.9Å; Y931-R1013 HydrophobicContact CE2-CB 3.97Å; Y931-R1013 HydrophobicContact CE2-CG 3.42Å; Y931-R1013 VanDerWaalsContact CE2-CG 3.42Å; N932-R1013 CarbonylContact O-C 3.57Å; N932-R1013 WeakPolarHBondContact O-CA 3.15Å; I965-R1013 CarbonylContact C-O 3.53Å; I965-R1013 WeakPolarHBondContact CA-O 3.34Å; M966-R1013 HydrophobicContact CB-CB 4.34Å; M966-R1013 HydrophobicContact CB-CG 4.26Å; M966-R1013 HydrophobicContact CE-CG 3.91Å; M966-R1013 PolarHBondContact N-O 3.3Å; M966-R1013 PolarHBondContact O-N 2.83Å; V968-R1013 HydrophobicContact CG2-CB 3.61Å; R1013-D1015 IonicContact CZ-OD1 3.38Å; R1013-D1015 VanDerWaalsContact CZ-OD1 3.31Å; R1013-D1015 IonicContact CZ-OD2 3.9Å; R1013-D1015 VanDerWaalsContact NE-CG 3.29Å; R1013-D1015 IonicContact NE-OD1 3.14Å; R1013-D1015 PolarHBondContact NE-OD1 2.87Å; R1013-D1015 IonicContact NE-OD2 3.96Å; R1013-D1015 PolarHBondContact NE-OD2 3.03Å; R1013-D1015 IonicContact NH2-OD1 3.7Å; R1013-D1015 PolarHBondContact NH2-OD1 2.66Å; R1013-D1015 IonicContact NH2-OD2 3.26Å; R1013-D1015 PolarHBondContact NH2-OD2 3Å |
| 1014 | V | 76.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 111.7 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | N932 I934 I946 F948 I963 L964 I965 V1012 V1016 | N932-V1014 HydrophobicContact CB-CB 4.35Å; N932-V1014 PolarHBondContact N-O 2.84Å; N932-V1014 PolarHBondContact O-N 3.34Å; I934-V1014 HydrophobicContact CD1-CG2 3.71Å; I946-V1014 HydrophobicContact CD1-CG2 4.04Å; F948-V1014 HydrophobicContact CE2-CG1 3.71Å; F948-V1014 HydrophobicContact CZ-CG1 4.02Å; I963-V1014 HydrophobicContact CG2-CG1 3.4Å; L964-V1014 WeakPolarHBondContact O-CA 3.36Å; I965-V1014 HydrophobicContact CG1-CG1 4.39Å; I965-V1014 HydrophobicContact CG1-CG2 4.31Å; V1012-V1014 HydrophobicContact CG1-CG2 4.36Å; V1014-V1016 HydrophobicContact CG1-CG2 4.35Å |
| 1015 | D | 73.9 | Confident | 69.9 | Low | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.6 | 172.9 | -65.7 | -36.6 | 0 | 0 | 0 | 109.1 | R929 I930 Y931 I963 L964 M966 R1013 F1017 | R929-D1015 HydrophobicContact CG-CB 4.33Å; R929-D1015 IonicContact CZ-OD2 2.81Å; R929-D1015 VanDerWaalsContact NE-CG 3.35Å; R929-D1015 IonicContact NE-OD1 3.83Å; R929-D1015 PolarHBondContact NE-OD1 3.01Å; R929-D1015 IonicContact NE-OD2 3.91Å; R929-D1015 PolarHBondContact NE-OD2 3.3Å; R929-D1015 IonicContact NH2-OD1 2.83Å; R929-D1015 IonicContact NH2-OD2 3.3Å; R929-D1015 PolarHBondContact NH2-OD2 3.01Å; I930-D1015 CarbonylContact O-C 3.6Å; I930-D1015 VanDerWaalsContact O-CA 3.32Å; I930-D1015 WeakPolarHBondContact O-CA 3.48Å; Y931-D1015 VanDerWaalsContact CD2-OD1 3.29Å; Y931-D1015 WeakPolarHBondContact CD2-OD1 3.31Å; I963-D1015 CarbonylContact C-O 3.57Å; I963-D1015 WeakPolarHBondContact CA-O 3.43Å; L964-D1015 HydrophobicContact CB-CB 4.37Å; L964-D1015 PolarHBondContact N-O 2.87Å; L964-D1015 PolarHBondContact O-N 3.44Å; M966-D1015 WeakPolarHBondContact CE-OD2 3.49Å; R1013-D1015 IonicContact CZ-OD1 3.38Å; R1013-D1015 VanDerWaalsContact CZ-OD1 3.31Å; R1013-D1015 IonicContact CZ-OD2 3.9Å; R1013-D1015 VanDerWaalsContact NE-CG 3.29Å; R1013-D1015 IonicContact NE-OD1 3.14Å; R1013-D1015 PolarHBondContact NE-OD1 2.87Å; R1013-D1015 IonicContact NE-OD2 3.96Å; R1013-D1015 PolarHBondContact NE-OD2 3.03Å; R1013-D1015 IonicContact NH2-OD1 3.7Å; R1013-D1015 PolarHBondContact NH2-OD1 2.66Å; R1013-D1015 IonicContact NH2-OD2 3.26Å; R1013-D1015 PolarHBondContact NH2-OD2 3Å; D1015-F1017 HydrophobicContact CB-CE2 4.24Å; D1015-F1017 HydrophobicContact CB-CZ 4.38Å |
| 1016 | V | 78.7 | Confident | 69.9 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.4 | 178 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | I930 F948 I960 V1014 I1018 | I930-V1016 HydrophobicContact CB-CB 4.18Å; I930-V1016 PolarHBondContact N-O 2.88Å; I930-V1016 PolarHBondContact O-N 2.7Å; F948-V1016 HydrophobicContact CB-CG1 4.47Å; F948-V1016 HydrophobicContact CD1-CG2 3.85Å; F948-V1016 HydrophobicContact CD2-CG2 3.61Å; F948-V1016 HydrophobicContact CE1-CG2 3.73Å; F948-V1016 HydrophobicContact CE2-CG2 3.49Å; F948-V1016 VanDerWaalsContact CE2-CG2 3.49Å; F948-V1016 HydrophobicContact CG-CG1 4.39Å; F948-V1016 HydrophobicContact CG-CG2 3.78Å; F948-V1016 HydrophobicContact CZ-CG2 3.55Å; I960-V1016 HydrophobicContact CG2-CG1 3.8Å; V1014-V1016 HydrophobicContact CG1-CG2 4.35Å; V1016-I1018 HydrophobicContact CG1-CG2 4.07Å |
| 1017 | F | 78.6 | Confident | 70.5 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.3 | 178.7 | -63.2 | -83 | 0 | 0 | 0 | 110 | I909 I927 G928 R929 I961 D962 L964 D1015 F1184 | I909-F1017 HydrophobicContact CD1-CD1 3.98Å; I909-F1017 HydrophobicContact CD1-CE1 3.67Å; I909-F1017 HydrophobicContact CG1-CE1 4.41Å; I927-F1017 HydrophobicContact CG2-CB 4.32Å; I927-F1017 HydrophobicContact CG2-CD1 4.18Å; G928-F1017 WeakPolarHBondContact O-CA 3.43Å; R929-F1017 HydrophobicContact CB-CD1 4.3Å; R929-F1017 HydrophobicContact CB-CE1 4.22Å; R929-F1017 HydrophobicContact CG-CD1 4.37Å; R929-F1017 HydrophobicContact CG-CE1 3.96Å; R929-F1017 HydrophobicContact CG-CZ 4.45Å; I961-F1017 HydrophobicContact CB-CB 4.16Å; I961-F1017 PolarHBondContact N-O 3.19Å; D962-F1017 HydrophobicContact CB-CD2 4.38Å; D962-F1017 PolarHBondContact O-N 2.64Å; L964-F1017 HydrophobicContact CB-CE2 3.95Å; D1015-F1017 HydrophobicContact CB-CE2 4.24Å; D1015-F1017 HydrophobicContact CB-CZ 4.38Å; F1017-F1184 HydrophobicContact CD2-CE2 4.43Å; F1017-F1184 HydrophobicContact CE1-CE2 4.18Å; F1017-F1184 AromaticContact CE1-CZ 3.83Å; F1017-F1184 HydrophobicContact CE1-CZ 3.83Å; F1017-F1184 HydrophobicContact CE2-CD2 4.48Å; F1017-F1184 HydrophobicContact CE2-CE1 4.41Å; F1017-F1184 AromaticContact CE2-CE2 3.96Å; F1017-F1184 HydrophobicContact CE2-CE2 3.96Å; F1017-F1184 AromaticContact CE2-CZ 3.94Å; F1017-F1184 HydrophobicContact CE2-CZ 3.94Å; F1017-F1184 AromaticContact CZ-CE1 3.95Å; F1017-F1184 HydrophobicContact CZ-CE1 3.95Å; F1017-F1184 AromaticContact CZ-CE2 3.82Å; F1017-F1184 HydrophobicContact CZ-CE2 3.82Å; F1017-F1184 AromaticContact CZ-CZ 3.39Å; F1017-F1184 HydrophobicContact CZ-CZ 3.39Å |
| 1018 | I | 81 | Confident | 71.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.5 | -173.4 | 64.9 | 174 | 0 | 0 | 0 | 110.4 | I906 L922 I927 G928 I930 V958 D959 V1016 I1037 F1057 | I906-I1018 HydrophobicContact CD1-CD1 3.5Å; I906-I1018 VanDerWaalsContact CD1-CD1 3.5Å; I906-I1018 HydrophobicContact CG1-CD1 4.2Å; L922-I1018 HydrophobicContact CD1-CD1 4.26Å; L922-I1018 HydrophobicContact CD1-CG1 4.49Å; I927-I1018 CarbonylContact C-O 3.54Å; I927-I1018 VanDerWaalsContact CA-O 3.32Å; I927-I1018 WeakPolarHBondContact CA-O 3.36Å; G928-I1018 PolarHBondContact N-O 3.38Å; G928-I1018 PolarHBondContact O-N 3.41Å; I930-I1018 HydrophobicContact CD1-CD1 4Å; I930-I1018 HydrophobicContact CD1-CG2 4Å; I930-I1018 HydrophobicContact CG1-CD1 4.15Å; V958-I1018 HydrophobicContact CG1-CB 3.96Å; D959-I1018 CarbonylContact O-C 3.4Å; D959-I1018 VanDerWaalsContact O-CA 3.32Å; D959-I1018 WeakPolarHBondContact O-CA 3.29Å; V1016-I1018 HydrophobicContact CG1-CG2 4.07Å; I1018-I1037 HydrophobicContact CB-CD1 4.27Å; I1018-I1037 HydrophobicContact CD1-CD1 3.81Å; I1018-I1037 HydrophobicContact CG2-CD1 3.58Å; I1018-F1057 HydrophobicContact CD1-CD1 4.25Å; I1018-F1057 HydrophobicContact CD1-CE1 3.52Å; I1018-F1057 HydrophobicContact CD1-CE2 4.03Å; I1018-F1057 HydrophobicContact CD1-CZ 3.38Å |
| 1019 | R | 81.4 | Confident | 72.6 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 112.9 | 177.8 | -178.2 | 175.5 | 179 | -98.9 | -3.6 | 111 | G925 I927 D959 I961 S1150 E1153 | G925-R1019 PolarHBondContact O-NE 2.83Å; I927-R1019 HydrophobicContact CG1-CB 4.46Å; D959-R1019 PolarHBondContact N-O 2.82Å; D959-R1019 PolarHBondContact O-N 2.82Å; I961-R1019 HydrophobicContact CD1-CB 3.58Å; I961-R1019 HydrophobicContact CG1-CB 4.02Å; R1019-S1150 PolarHBondContact NH1-OG 2.61Å; R1019-E1153 IonicContact CZ-OE1 3.74Å; R1019-E1153 IonicContact NH1-OE1 2.69Å; R1019-E1153 PolarHBondContact NH1-OE1 2.93Å; R1019-E1153 IonicContact NH2-OE1 3.68Å |
| 1020 | P | 83.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.6 | 170.1 | -17.4 | 32.1 | 0 | 0 | 0 | 111.1 | L922 G925 E926 V958 F1057 V1059 | L922-P1020 HydrophobicContact CB-CG 4.23Å; L922-P1020 HydrophobicContact CD1-CG 4.19Å; G925-P1020 PolarHBondContact N-O 2.89Å; E926-P1020 WeakPolarHBondContact O-CD 2.98Å; V958-P1020 HydrophobicContact CG2-CB 4.16Å; V958-P1020 HydrophobicContact CG2-CG 4.38Å; P1020-F1057 HydrophobicContact CG-CE2 4.26Å; P1020-V1059 HydrophobicContact CB-CB 4.5Å; P1020-V1059 HydrophobicContact CB-CG1 3.74Å; P1020-V1059 HydrophobicContact CB-CG2 3.85Å; P1020-V1059 HydrophobicContact CG-CG1 4.19Å; P1020-V1059 HydrophobicContact CG-CG2 3.82Å |
| 1021 | W | 79.3 | Confident | 74.6 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 10% | 0.095 | 23% | 0.233 | C | C | . | . | trans | -65.4 | 145.6 | -179.9 | -71.9 | 16.5 | 0 | 0 | 0 | 111.6 | W956 P957 D959 R1152 E1153 | W956-W1021 PolarHBondContact NE1-O 3.16Å; P957-W1021 HydrophobicContact CB-CD2 3.93Å; P957-W1021 HydrophobicContact CB-CE3 4.16Å; P957-W1021 HydrophobicContact CB-CG 4.16Å; P957-W1021 HydrophobicContact CG-CB 4.14Å; P957-W1021 HydrophobicContact CG-CD2 3.87Å; P957-W1021 HydrophobicContact CG-CE3 3.79Å; P957-W1021 HydrophobicContact CG-CG 4.04Å; P957-W1021 PolarHBondContact O-N 2.8Å; P957-W1021 VanDerWaalsContact O-N 3.09Å; D959-W1021 PolarHBondContact OD1-NE1 2.81Å; W1021-R1152 HydrophobicContact CH2-CB 4.23Å; W1021-R1152 HydrophobicContact CZ2-CB 3.94Å; W1021-E1153 WeakPolarHBondContact CA-OE1 3.41Å; W1021-E1153 HydrophobicContact CB-CG 4.15Å; W1021-E1153 HydrophobicContact CD2-CG 4.01Å; W1021-E1153 HydrophobicContact CE3-CG 4.28Å; W1021-E1153 HydrophobicContact CG-CG 3.97Å | ||
| 1022 | I | 74.3 | Confident | 75.3 | Confident | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -73.9 | -38.3 | 176 | -57.5 | 171.4 | 0 | 0 | 0 | 110.3 | E1153 F1175 | I1022-E1153 VanDerWaalsContact CB-OE2 3.27Å; I1022-E1153 WeakPolarHBondContact CB-OE2 3.4Å; I1022-E1153 WeakPolarHBondContact CG1-OE2 3.34Å; I1022-E1153 PolarHBondContact N-OE1 3.17Å; I1022-E1153 PolarHBondContact N-OE2 2.92Å; I1022-F1175 WeakPolarHBondContact CD1-O 3.46Å |
| 1023 | R | 71 | Confident | 75.8 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.9 | -179.5 | -54.3 | -175.2 | -169.1 | -152.5 | 3.4 | 110.6 | Q1028 D1174 | R1023-Q1028 HydrophobicContact CG-CG 4.39Å; R1023-D1174 IonicContact CZ-OD2 2.8Å; R1023-D1174 IonicContact NH2-OD2 3.85Å; R1023-D1174 PolarHBondContact NH2-OD2 2.93Å |
| 1024 | N | 70.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115 | 172.2 | -179.9 | 14.4 | 0 | 0 | 0 | 109.6 | W956 P957 D1026 N1027 | W956-N1024 HydrophobicContact CH2-CB 4.32Å; W956-N1024 HydrophobicContact CZ2-CB 4.49Å; P957-N1024 HydrophobicContact CG-CB 3.86Å; N1024-D1026 VanDerWaalsContact C-N 3.29Å; N1024-D1026 PolarHBondContact O-N 3.02Å; N1024-N1027 PolarHBondContact N-O 3.15Å; N1024-N1027 VanDerWaalsContact N-O 3.11Å; N1024-N1027 WeakPolarHBondContact O-CB 3.18Å; N1024-N1027 PolarHBondContact O-N 3.2Å |
| 1025 | N | 67.7 | Low | 76.3 | Confident | 140 Ų | 140 | 53.1 Ų | 53.1 | 75% | 0.749 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.1 | 53.9 | -174.8 | -64.6 | -26.5 | 0 | 0 | 0 | 112 | N1027 | N1025-N1027 PolarHBondContact O-N 2.85Š|
| 1026 | D | 65.6 | Low | 76.7 | Confident | 116 Ų | 116 | 57 Ų | 57 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | -6.9 | -178 | -57.5 | -45.3 | 0 | 0 | 0 | 117.2 | N1024 | N1024-D1026 VanDerWaalsContact C-N 3.29Å; N1024-D1026 PolarHBondContact O-N 3.02Å |
| 1027 | N | 67.7 | Low | 76.9 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.5 | 175 | -70.2 | -46.1 | 0 | 0 | 0 | 111 | W956 N1024 N1025 | W956-N1027 WeakPolarHBondContact CH2-O 3.3Å; N1024-N1027 PolarHBondContact N-O 3.15Å; N1024-N1027 VanDerWaalsContact N-O 3.11Å; N1024-N1027 WeakPolarHBondContact O-CB 3.18Å; N1024-N1027 PolarHBondContact O-N 3.2Å; N1025-N1027 PolarHBondContact O-N 2.85Å |
| 1028 | Q | 72.7 | Confident | 77.2 | Confident | 119 Ų | 119 | 59 Ų | 59 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 152 | 163.9 | -70.9 | -176.1 | -6.3 | 0 | 0 | 110.4 | R1023 K1030 | R1023-Q1028 HydrophobicContact CG-CG 4.39Å; Q1028-K1030 PolarHBondContact O-N 2.93Å; Q1028-K1030 VanDerWaalsContact O-N 3.15Å |
| 1029 | L | 75.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | trans | -64.5 | 111 | 177.4 | -175.7 | 69.1 | 0 | 0 | 0 | 110.4 | P924 W956 S1031 Q1033 V1059 S1061 | P924-L1029 HydrophobicContact CG-CB 4.3Å; P924-L1029 HydrophobicContact CG-CD2 3.82Å; W956-L1029 HydrophobicContact CD2-CB 4.49Å; W956-L1029 HydrophobicContact CD2-CD1 3.57Å; W956-L1029 HydrophobicContact CE3-CD1 3.44Å; W956-L1029 VanDerWaalsContact CE3-CD1 3.44Å; W956-L1029 HydrophobicContact CG-CD1 4.14Å; W956-L1029 HydrophobicContact CH2-CB 3.79Å; W956-L1029 HydrophobicContact CH2-CD1 4.16Å; W956-L1029 VanDerWaalsContact CH2-N 3.35Å; W956-L1029 HydrophobicContact CZ2-CB 3.7Å; W956-L1029 HydrophobicContact CZ2-CD1 4.29Å; W956-L1029 HydrophobicContact CZ3-CB 4.23Å; W956-L1029 HydrophobicContact CZ3-CD1 3.74Å; L1029-S1031 WeakPolarHBondContact CD1-O 3.15Å; L1029-S1031 WeakPolarHBondContact CG-O 3.34Å; L1029-Q1033 HydrophobicContact CD1-CB 4.03Å; L1029-Q1033 HydrophobicContact CD1-CG 3.45Å; L1029-Q1033 VanDerWaalsContact CD1-CG 3.45Å; L1029-V1059 HydrophobicContact CD2-CB 4.13Å; L1029-V1059 HydrophobicContact CD2-CG1 3.64Å; L1029-S1061 WeakPolarHBondContact O-CB 3.46Å; L1029-S1061 PolarHBondContact O-OG 2.87Å | ||
| 1030 | K | 76.8 | Confident | 77.6 | Confident | 190 Ų | 190 | 61.3 Ų | 61.3 | 83% | 0.826 | 31% | 0.309 | S | S | * | . | trans | -86.5 | -26.7 | -178.1 | -66.1 | -176.6 | -179 | 178.1 | 0 | 114.2 | Q1028 | Q1028-K1030 PolarHBondContact O-N 2.93Å; Q1028-K1030 VanDerWaalsContact O-N 3.15Å | ||
| 1031 | S | 78.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -143.7 | 159.8 | -177.1 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | L1029 Q1033 | L1029-S1031 WeakPolarHBondContact CD1-O 3.15Å; L1029-S1031 WeakPolarHBondContact CG-O 3.34Å; S1031-Q1033 PolarHBondContact O-N 3.46Å |
| 1032 | Q | 81.7 | Confident | 77.8 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | trans | -58.1 | 135.6 | 176.1 | -174.8 | 170.8 | -42.2 | 0 | 0 | 111.2 | N1058 V1059 | Q1032-N1058 HydrophobicContact CG-CB 3.86Å; Q1032-N1058 VanDerWaalsContact NE2-CG 3.3Å; Q1032-N1058 PolarHBondContact NE2-ND2 3.16Å; Q1032-V1059 CarbonylContact C-O 3.45Å; Q1032-V1059 VanDerWaalsContact CA-O 3.29Å; Q1032-V1059 WeakPolarHBondContact CA-O 3.32Å | ||
| 1033 | Q | 82.5 | Confident | 77.9 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.3 | -177.6 | -71.9 | -60.2 | -13.6 | 0 | 0 | 110.4 | S955 W956 L1029 S1031 N1058 V1059 | S955-Q1033 WeakPolarHBondContact OG-CB 3.32Å; S955-Q1033 PolarHBondContact OG-OE1 3.11Å; W956-Q1033 HydrophobicContact CB-CB 3.97Å; W956-Q1033 HydrophobicContact CB-CG 4.44Å; L1029-Q1033 HydrophobicContact CD1-CB 4.03Å; L1029-Q1033 HydrophobicContact CD1-CG 3.45Å; L1029-Q1033 VanDerWaalsContact CD1-CG 3.45Å; S1031-Q1033 PolarHBondContact O-N 3.46Å; Q1033-N1058 CarbonylContact O-C 3.57Å; Q1033-N1058 WeakPolarHBondContact O-CA 3.47Å; Q1033-V1059 PolarHBondContact N-O 2.85Å; Q1033-V1059 PolarHBondContact O-N 3.35Å |
| 1034 | S | 81.4 | Confident | 78.1 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.1 | -178.3 | -162.8 | 0 | 0 | 0 | 0 | 111 | S955 T1056 F1057 N1058 | S955-S1034 PolarHBondContact OG-N 3.11Å; S955-S1034 PolarHBondContact OG-O 3.32Å; S1034-T1056 VanDerWaalsContact OG-CG2 3.25Å; S1034-T1056 WeakPolarHBondContact OG-CG2 3.35Å; S1034-F1057 CarbonylContact C-O 3.27Å; S1034-F1057 WeakPolarHBondContact CA-O 3.3Å; S1034-F1057 PolarHBondContact OG-O 2.95Å; S1034-N1058 WeakPolarHBondContact CB-OD1 3.34Å; S1034-N1058 PolarHBondContact OG-OD1 3.47Å |
| 1035 | V | 79.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 109 | W956 V958 T1056 F1057 V1059 | W956-V1035 HydrophobicContact CB-CG2 4.29Å; W956-V1035 WeakPolarHBondContact O-CG2 3.12Å; V958-V1035 HydrophobicContact CB-CG1 4.31Å; V958-V1035 HydrophobicContact CG2-CB 4.21Å; V958-V1035 HydrophobicContact CG2-CG1 3.72Å; V958-V1035 HydrophobicContact CG2-CG2 3.79Å; V1035-T1056 CarbonylContact O-C 3.55Å; V1035-T1056 WeakPolarHBondContact O-CA 3.04Å; V1035-F1057 HydrophobicContact CB-CD1 4.17Å; V1035-F1057 HydrophobicContact CB-CE1 3.65Å; V1035-F1057 HydrophobicContact CB-CE2 4.07Å; V1035-F1057 HydrophobicContact CB-CZ 3.6Å; V1035-F1057 HydrophobicContact CG1-CE1 3.67Å; V1035-F1057 HydrophobicContact CG1-CZ 3.72Å; V1035-F1057 HydrophobicContact CG2-CE2 4.48Å; V1035-F1057 HydrophobicContact CG2-CZ 4.32Å; V1035-F1057 PolarHBondContact N-O 3.12Å; V1035-F1057 VanDerWaalsContact O-CD1 3.23Å; V1035-F1057 WeakPolarHBondContact O-CD1 3.34Å; V1035-F1057 PolarHBondContact O-N 3.47Å; V1035-V1059 HydrophobicContact CG2-CG2 3.99Å |
| 1036 | K | 82.4 | Confident | 77.9 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.3 | -180 | -178.4 | 174.9 | -179.5 | -179.1 | 0 | 110.8 | L951 P1054 C1055 T1056 | L951-K1036 HydrophobicContact CD1-CB 3.9Å; L951-K1036 HydrophobicContact CD1-CD 3.67Å; L951-K1036 HydrophobicContact CD1-CG 3.78Å; L951-K1036 PolarHBondContact N-O 3.06Å; K1036-P1054 VanDerWaalsContact CE-CB 3.44Å; K1036-P1054 HydrophobicContact CG-CB 4.39Å; K1036-C1055 CarbonylContact C-O 3.58Å; K1036-C1055 WeakPolarHBondContact CA-O 3.24Å; K1036-T1056 HydrophobicContact CB-CG2 4.41Å |
| 1037 | I | 83.1 | Confident | 78 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.4 | 179.1 | -65.4 | -178.7 | 0 | 0 | 0 | 108.7 | I930 F948 T950 I1018 P1054 C1055 F1057 | I930-I1037 HydrophobicContact CD1-CB 4.02Å; I930-I1037 HydrophobicContact CD1-CD1 3.64Å; I930-I1037 HydrophobicContact CD1-CG1 4.35Å; I930-I1037 HydrophobicContact CD1-CG2 3.97Å; F948-I1037 HydrophobicContact CD1-CG2 4.42Å; T950-I1037 HydrophobicContact CG2-CG1 4.31Å; I1018-I1037 HydrophobicContact CB-CD1 4.27Å; I1018-I1037 HydrophobicContact CD1-CD1 3.81Å; I1018-I1037 HydrophobicContact CG2-CD1 3.58Å; I1037-P1054 WeakPolarHBondContact O-CA 3.23Å; I1037-C1055 PolarHBondContact N-O 2.84Å; I1037-C1055 PolarHBondContact O-N 3.04Å; I1037-F1057 HydrophobicContact CD1-CE1 3.85Å; I1037-F1057 HydrophobicContact CD1-CZ 4.44Å; I1037-F1057 HydrophobicContact CG1-CE1 4.16Å |
| 1038 | I | 84 | Confident | 78.1 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | -179.2 | -53.2 | 177.4 | 0 | 0 | 0 | 108 | F948 S949 L951 P1054 | F948-I1038 CarbonylContact C-O 3.59Å; F948-I1038 WeakPolarHBondContact CA-O 3.13Å; S949-I1038 PolarHBondContact N-O 3.14Å; S949-I1038 PolarHBondContact O-N 2.83Å; L951-I1038 HydrophobicContact CD1-CD1 3.77Å; L951-I1038 HydrophobicContact CD1-CG1 4.23Å; L951-I1038 HydrophobicContact CD2-CD1 3.6Å; L951-I1038 HydrophobicContact CG-CD1 3.54Å; L951-I1038 HydrophobicContact CG-CG1 4.13Å; I1038-P1054 HydrophobicContact CG1-CB 4.32Å |
| 1039 | G | 86 | Confident | 78.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S947 L1052 | S947-G1039 CarbonylContact O-C 3.47Å; S947-G1039 VanDerWaalsContact O-CA 3.23Å; S947-G1039 WeakPolarHBondContact O-CA 3.34Å; G1039-L1052 WeakPolarHBondContact O-CB 3.16Å; G1039-L1052 PolarHBondContact O-N 3.4Å |
| 1040 | N | 86 | Confident | 78.5 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.6 | 172.4 | -70.6 | -41.2 | 0 | 0 | 0 | 109.6 | S947 F1050 A1051 | S947-N1040 PolarHBondContact N-O 2.89Å; S947-N1040 PolarHBondContact O-N 3.28Å; S947-N1040 PolarHBondContact OG-O 2.98Å; N1040-F1050 CarbonylContact C-O 3.54Å; N1040-F1050 WeakPolarHBondContact CA-O 3.39Å; N1040-A1051 WeakPolarHBondContact OD1-CA 3.44Å |
| 1041 | V | 83.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.5 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | I899 I934 Y944 I946 F1050 L1052 | I899-V1041 HydrophobicContact CD1-CG1 4.2Å; I934-V1041 HydrophobicContact CD1-CG2 4.06Å; Y944-V1041 HydrophobicContact CD1-CG1 3.8Å; I946-V1041 HydrophobicContact CG1-CG1 4.45Å; I946-V1041 HydrophobicContact CG1-CG2 4.29Å; I946-V1041 HydrophobicContact CG2-CG2 4.33Å; V1041-F1050 PolarHBondContact N-O 3.48Å; V1041-F1050 PolarHBondContact O-N 2.92Å; V1041-L1052 HydrophobicContact CG2-CD1 3.91Å; V1041-L1052 HydrophobicContact CG2-CD2 3.71Å; V1041-L1052 HydrophobicContact CG2-CG 3.9Å |
| 1042 | K | 82.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.5 | 173.6 | -177.4 | 170.8 | -164.6 | 167.2 | 0 | 109.8 | Y944 E945 D1049 | Y944-K1042 CarbonylContact C-O 3.31Å; Y944-K1042 WeakPolarHBondContact CA-O 3.49Å; E945-K1042 HydrophobicContact CB-CB 4.2Å; E945-K1042 PolarHBondContact N-O 3.35Å; E945-K1042 PolarHBondContact O-N 2.73Å; K1042-D1049 VanDerWaalsContact CB-OD1 3.24Å; K1042-D1049 WeakPolarHBondContact CB-OD1 3.41Å; K1042-D1049 VanDerWaalsContact CD-OD1 3.23Å; K1042-D1049 WeakPolarHBondContact CD-OD1 3.44Å; K1042-D1049 WeakPolarHBondContact CG-OD1 3.28Å |
| 1043 | I | 77.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.9 | 176.5 | -46.6 | -179.9 | 0 | 0 | 0 | 108.5 | I899 L938 E942 Y944 S1045 T1046 G1047 S1048 F1050 | I899-I1043 HydrophobicContact CD1-CD1 3.51Å; I899-I1043 HydrophobicContact CD1-CG1 4Å; I899-I1043 HydrophobicContact CG1-CD1 4.35Å; L938-I1043 HydrophobicContact CD1-CD1 4.38Å; E942-I1043 HydrophobicContact CG-CG2 3.32Å; Y944-I1043 HydrophobicContact CD1-CG1 4.06Å; Y944-I1043 HydrophobicContact CE1-CD1 4.2Å; Y944-I1043 HydrophobicContact CE1-CG1 3.94Å; Y944-I1043 HydrophobicContact CE1-CG2 4.33Å; I1043-S1045 PolarHBondContact O-N 3.28Å; I1043-T1046 PolarHBondContact O-N 3.15Å; I1043-G1047 WeakPolarHBondContact O-CA 3.36Å; I1043-G1047 PolarHBondContact O-N 3Å; I1043-S1048 PolarHBondContact N-O 3.13Å; I1043-F1050 HydrophobicContact CD1-CD2 3.9Å; I1043-F1050 HydrophobicContact CD1-CE2 3.41Å; I1043-F1050 VanDerWaalsContact CD1-CE2 3.41Å; I1043-F1050 HydrophobicContact CD1-CZ 4.34Å; I1043-F1050 HydrophobicContact CG1-CD2 4.05Å; I1043-F1050 HydrophobicContact CG1-CE2 3.94Å |
| 1044 | K | 75.8 | Confident | 78.3 | Confident | 130 Ų | 130 | 50.8 Ų | 50.8 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -44.4 | -176.2 | -176.6 | 175.6 | 179.1 | 179.3 | 0 | 113.2 | E943 T1046 | E943-K1044 HydrophobicContact CB-CB 3.86Å; E943-K1044 HydrophobicContact CB-CD 3.82Å; E943-K1044 VanDerWaalsContact CD-CD 3.44Å; E943-K1044 HydrophobicContact CG-CD 4.02Å; E943-K1044 PolarHBondContact O-N 2.98Å; E943-K1044 IonicContact OE1-NZ 3.28Å; E943-K1044 PolarHBondContact OE1-NZ 3.02Å; E943-K1044 WeakPolarHBondContact OE2-CD 3.35Å; E943-K1044 WeakPolarHBondContact OE2-CE 3.16Å; E943-K1044 IonicContact OE2-NZ 3.45Å; E943-K1044 PolarHBondContact OE2-NZ 2.66Å; K1044-T1046 PolarHBondContact O-N 2.86Å |
| 1045 | S | 65.8 | Low | 78.2 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -33.4 | -175.8 | 62.4 | 0 | 0 | 0 | 0 | 115 | K940 E942 I1043 | K940-S1045 PolarHBondContact NZ-OG 2.89Å; E942-S1045 VanDerWaalsContact OE1-CB 3.25Å; E942-S1045 WeakPolarHBondContact OE1-CB 3.47Å; E942-S1045 PolarHBondContact OE1-N 3.2Å; E942-S1045 VanDerWaalsContact OE1-N 3.09Å; E942-S1045 PolarHBondContact OE1-OG 2.9Å; E942-S1045 WeakPolarHBondContact OE2-CB 3.42Å; E942-S1045 PolarHBondContact OE2-OG 3.44Å; I1043-S1045 PolarHBondContact O-N 3.28Å |
| 1046 | T | 68.1 | Low | 78.2 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -20.8 | 178.9 | 59 | 0 | 0 | 0 | 0 | 112.4 | I1043 K1044 S1048 | I1043-T1046 PolarHBondContact O-N 3.15Å; K1044-T1046 PolarHBondContact O-N 2.86Å; T1046-S1048 WeakPolarHBondContact CB-OG 3.47Å; T1046-S1048 PolarHBondContact O-N 2.83Å; T1046-S1048 VanDerWaalsContact O-N 3.11Å; T1046-S1048 PolarHBondContact OG1-N 3.48Å; T1046-S1048 PolarHBondContact OG1-OG 3.11Å |
| 1047 | G | 67.5 | Low | 78.1 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | trans | 64.3 | 5.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1043 | I1043-G1047 WeakPolarHBondContact O-CA 3.36Å; I1043-G1047 PolarHBondContact O-N 3Å | ||
| 1048 | S | 70.5 | Confident | 78.1 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | trans | -89.2 | 133 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | I1043 T1046 F1050 | I1043-S1048 PolarHBondContact N-O 3.13Å; T1046-S1048 WeakPolarHBondContact CB-OG 3.47Å; T1046-S1048 PolarHBondContact O-N 2.83Å; T1046-S1048 VanDerWaalsContact O-N 3.11Å; T1046-S1048 PolarHBondContact OG1-N 3.48Å; T1046-S1048 PolarHBondContact OG1-OG 3.11Å; S1048-F1050 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 1049 | D | 77.2 | Confident | 78.1 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.2 | 174.6 | -64.9 | -20.9 | 0 | 0 | 0 | 109.8 | K1042 | K1042-D1049 VanDerWaalsContact CB-OD1 3.24Å; K1042-D1049 WeakPolarHBondContact CB-OD1 3.41Å; K1042-D1049 VanDerWaalsContact CD-OD1 3.23Å; K1042-D1049 WeakPolarHBondContact CD-OD1 3.44Å; K1042-D1049 WeakPolarHBondContact CG-OD1 3.28Å |
| 1050 | F | 79.2 | Confident | 78 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.7 | 174.4 | -67.8 | -88.4 | 0 | 0 | 0 | 109.5 | I899 N1040 V1041 I1043 S1048 L1052 | I899-F1050 HydrophobicContact CB-CD1 4.5Å; I899-F1050 HydrophobicContact CD1-CD2 3.89Å; I899-F1050 HydrophobicContact CD1-CE2 4.26Å; I899-F1050 HydrophobicContact CD1-CG 4.19Å; N1040-F1050 CarbonylContact C-O 3.54Å; N1040-F1050 WeakPolarHBondContact CA-O 3.39Å; V1041-F1050 PolarHBondContact N-O 3.48Å; V1041-F1050 PolarHBondContact O-N 2.92Å; I1043-F1050 HydrophobicContact CD1-CD2 3.9Å; I1043-F1050 HydrophobicContact CD1-CE2 3.41Å; I1043-F1050 VanDerWaalsContact CD1-CE2 3.41Å; I1043-F1050 HydrophobicContact CD1-CZ 4.34Å; I1043-F1050 HydrophobicContact CG1-CD2 4.05Å; I1043-F1050 HydrophobicContact CG1-CE2 3.94Å; S1048-F1050 WeakPolarHBondContact OG-CE2 3.47Å; F1050-L1052 PolarHBondContact O-N 3.49Å |
| 1051 | A | 81.2 | Confident | 77.6 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1040 | N1040-A1051 WeakPolarHBondContact OD1-CA 3.44Å |
| 1052 | L | 80.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 156.4 | 168.3 | -60.9 | 177.3 | 0 | 0 | 0 | 109.5 | I934 F948 G1039 V1041 F1050 P1054 | I934-L1052 HydrophobicContact CD1-CD1 4.15Å; I934-L1052 HydrophobicContact CD1-CD2 4.13Å; I934-L1052 HydrophobicContact CG1-CD2 4.16Å; F948-L1052 HydrophobicContact CE1-CD1 3.88Å; F948-L1052 HydrophobicContact CZ-CD1 3.74Å; G1039-L1052 WeakPolarHBondContact O-CB 3.16Å; G1039-L1052 PolarHBondContact O-N 3.4Å; V1041-L1052 HydrophobicContact CG2-CD1 3.91Å; V1041-L1052 HydrophobicContact CG2-CD2 3.71Å; V1041-L1052 HydrophobicContact CG2-CG 3.9Å; F1050-L1052 PolarHBondContact O-N 3.49Å; L1052-P1054 WeakPolarHBondContact O-CD 3.11Å |
| 1053 | T | 77.1 | Confident | 76.8 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 124 | 175.2 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | S901 T903 | S901-T1053 PolarHBondContact OG-N 2.8Å; T903-T1053 WeakPolarHBondContact CB-O 3.25Å; T903-T1053 PolarHBondContact OG1-O 2.95Å |
| 1054 | P | 77.2 | Confident | 76.6 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 142.3 | -176.9 | 28.7 | -34.1 | 0 | 0 | 0 | 111 | K1036 I1037 I1038 L1052 | K1036-P1054 VanDerWaalsContact CE-CB 3.44Å; K1036-P1054 HydrophobicContact CG-CB 4.39Å; I1037-P1054 WeakPolarHBondContact O-CA 3.23Å; I1038-P1054 HydrophobicContact CG1-CB 4.32Å; L1052-P1054 WeakPolarHBondContact O-CD 3.11Å |
| 1055 | C | 78.7 | Confident | 76.7 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.2 | 176.9 | -173 | 0 | 0 | 0 | 0 | 110 | T903 I930 K1036 I1037 | T903-C1055 HydrophobicContact CG2-CB 3.9Å; I930-C1055 HydrophobicContact CD1-CB 4.42Å; I930-C1055 HydrophobicContact CG2-CB 4.09Å; K1036-C1055 CarbonylContact C-O 3.58Å; K1036-C1055 WeakPolarHBondContact CA-O 3.24Å; I1037-C1055 PolarHBondContact N-O 2.84Å; I1037-C1055 PolarHBondContact O-N 3.04Å |
| 1056 | T | 80 | Confident | 77.1 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.4 | 176.2 | -50.5 | 0 | 0 | 0 | 0 | 109 | S1034 V1035 K1036 | S1034-T1056 VanDerWaalsContact OG-CG2 3.25Å; S1034-T1056 WeakPolarHBondContact OG-CG2 3.35Å; V1035-T1056 CarbonylContact O-C 3.55Å; V1035-T1056 WeakPolarHBondContact O-CA 3.04Å; K1036-T1056 HydrophobicContact CB-CG2 4.41Å |
| 1057 | F | 80.1 | Confident | 77.6 | Confident | 16 Ų | 16 | 56 Ų | 56 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 165 | -179.9 | 65.8 | -78.6 | 0 | 0 | 0 | 111.7 | I906 L922 V958 I1018 P1020 S1034 V1035 I1037 V1059 | I906-F1057 HydrophobicContact CB-CB 4.21Å; I906-F1057 HydrophobicContact CD1-CB 3.41Å; I906-F1057 VanDerWaalsContact CD1-CB 3.41Å; I906-F1057 HydrophobicContact CD1-CD1 2.95Å; I906-F1057 HydrophobicContact CD1-CD2 3.97Å; I906-F1057 HydrophobicContact CD1-CE1 3.54Å; I906-F1057 HydrophobicContact CD1-CE2 4.45Å; I906-F1057 HydrophobicContact CD1-CG 3.16Å; I906-F1057 HydrophobicContact CD1-CZ 4.25Å; I906-F1057 HydrophobicContact CG1-CB 4.35Å; I906-F1057 HydrophobicContact CG1-CD1 4.43Å; I906-F1057 HydrophobicContact CG1-CG 4.43Å; L922-F1057 HydrophobicContact CD1-CD2 3.75Å; L922-F1057 HydrophobicContact CD1-CE2 3.66Å; L922-F1057 HydrophobicContact CG-CD2 4.4Å; V958-F1057 HydrophobicContact CG1-CZ 4.21Å; V958-F1057 HydrophobicContact CG2-CZ 4.05Å; I1018-F1057 HydrophobicContact CD1-CD1 4.25Å; I1018-F1057 HydrophobicContact CD1-CE1 3.52Å; I1018-F1057 HydrophobicContact CD1-CE2 4.03Å; I1018-F1057 HydrophobicContact CD1-CZ 3.38Å; P1020-F1057 HydrophobicContact CG-CE2 4.26Å; S1034-F1057 CarbonylContact C-O 3.27Å; S1034-F1057 WeakPolarHBondContact CA-O 3.3Å; S1034-F1057 PolarHBondContact OG-O 2.95Å; V1035-F1057 HydrophobicContact CB-CD1 4.17Å; V1035-F1057 HydrophobicContact CB-CE1 3.65Å; V1035-F1057 HydrophobicContact CB-CE2 4.07Å; V1035-F1057 HydrophobicContact CB-CZ 3.6Å; V1035-F1057 HydrophobicContact CG1-CE1 3.67Å; V1035-F1057 HydrophobicContact CG1-CZ 3.72Å; V1035-F1057 HydrophobicContact CG2-CE2 4.48Å; V1035-F1057 HydrophobicContact CG2-CZ 4.32Å; V1035-F1057 PolarHBondContact N-O 3.12Å; V1035-F1057 VanDerWaalsContact O-CD1 3.23Å; V1035-F1057 WeakPolarHBondContact O-CD1 3.34Å; V1035-F1057 PolarHBondContact O-N 3.47Å; I1037-F1057 HydrophobicContact CD1-CE1 3.85Å; I1037-F1057 HydrophobicContact CD1-CZ 4.44Å; I1037-F1057 HydrophobicContact CG1-CE1 4.16Å; F1057-V1059 HydrophobicContact CD2-CG2 4.21Å; F1057-V1059 HydrophobicContact CE2-CG2 3.72Å |
| 1058 | N | 83.3 | Confident | 77.8 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.1 | -179 | -65.5 | -34.9 | 0 | 0 | 0 | 111.2 | P921 L922 Q1032 Q1033 S1034 | P921-N1058 CarbonylContact C-O 3.58Å; P921-N1058 VanDerWaalsContact CA-O 3.24Å; P921-N1058 WeakPolarHBondContact CA-O 3.42Å; P921-N1058 HydrophobicContact CB-CB 4.18Å; L922-N1058 PolarHBondContact N-O 3.17Å; Q1032-N1058 HydrophobicContact CG-CB 3.86Å; Q1032-N1058 VanDerWaalsContact NE2-CG 3.3Å; Q1032-N1058 PolarHBondContact NE2-ND2 3.16Å; Q1033-N1058 CarbonylContact O-C 3.57Å; Q1033-N1058 WeakPolarHBondContact O-CA 3.47Å; S1034-N1058 WeakPolarHBondContact CB-OD1 3.34Å; S1034-N1058 PolarHBondContact OG-OD1 3.47Å |
| 1059 | V | 83.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.3 | 169.3 | -170.3 | 0 | 0 | 0 | 0 | 107.6 | L922 P924 P1020 L1029 Q1032 Q1033 V1035 F1057 | L922-V1059 CarbonylContact O-C 3.6Å; L922-V1059 VanDerWaalsContact O-CA 3.27Å; L922-V1059 WeakPolarHBondContact O-CA 3.44Å; P924-V1059 HydrophobicContact CG-CG1 4.06Å; P1020-V1059 HydrophobicContact CB-CB 4.5Å; P1020-V1059 HydrophobicContact CB-CG1 3.74Å; P1020-V1059 HydrophobicContact CB-CG2 3.85Å; P1020-V1059 HydrophobicContact CG-CG1 4.19Å; P1020-V1059 HydrophobicContact CG-CG2 3.82Å; L1029-V1059 HydrophobicContact CD2-CB 4.13Å; L1029-V1059 HydrophobicContact CD2-CG1 3.64Å; Q1032-V1059 CarbonylContact C-O 3.45Å; Q1032-V1059 VanDerWaalsContact CA-O 3.29Å; Q1032-V1059 WeakPolarHBondContact CA-O 3.32Å; Q1033-V1059 PolarHBondContact N-O 2.85Å; Q1033-V1059 PolarHBondContact O-N 3.35Å; V1035-V1059 HydrophobicContact CG2-CG2 3.99Å; F1057-V1059 HydrophobicContact CD2-CG2 4.21Å; F1057-V1059 HydrophobicContact CE2-CG2 3.72Å |
| 1060 | S | 83.9 | Confident | 76.9 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | trans | -137.3 | 130.7 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | L922 P924 A1062 A1063 | L922-S1060 PolarHBondContact O-N 2.98Å; P924-S1060 WeakPolarHBondContact CD-O 3.48Å; S1060-A1062 VanDerWaalsContact C-N 3.26Å; S1060-A1062 PolarHBondContact OG-N 3.07Å; S1060-A1063 PolarHBondContact O-N 3.02Å | ||
| 1061 | S | 77.1 | Confident | 75.7 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.4 | 172 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | L1029 A1063 | L1029-S1061 WeakPolarHBondContact O-CB 3.46Å; L1029-S1061 PolarHBondContact O-OG 2.87Å; S1061-A1063 VanDerWaalsContact C-N 3.31Å |
| 1062 | A | 76.4 | Confident | 74 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 72% | 0.719 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1060 | S1060-A1062 VanDerWaalsContact C-N 3.26Å; S1060-A1062 PolarHBondContact OG-N 3.07Å |
| 1063 | A | 72.9 | Confident | 72 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.3 | 141.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P921 T923 S1060 S1061 | P921-A1063 HydrophobicContact CG-CB 4.35Å; T923-A1063 WeakPolarHBondContact CG2-O 3.35Å; S1060-A1063 PolarHBondContact O-N 3.02Å; S1061-A1063 VanDerWaalsContact C-N 3.31Å |
| 1064 | I | 72.6 | Confident | 70 | Confident | 152 Ų | 152 | 63.2 Ų | 63.2 | 78% | 0.779 | 34% | 0.34 | S | S | * | . | trans | -110.9 | 126.1 | 178.1 | -58.4 | 173.2 | 0 | 0 | 0 | 107.5 | E1066 | I1064-E1066 PolarHBondContact O-N 2.85Š| ||
| 1065 | M | 78.1 | Confident | 68.1 | Low | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | trans | -73.2 | 114.8 | 172.8 | -174.1 | -179.3 | 73.7 | 0 | 0 | 109.4 | E926 Q1067 K1113 L1114 P1115 N1177 V1179 | E926-M1065 HydrophobicContact CB-SD 4.13Å; E926-M1065 HydrophobicContact CG-CG 4.28Å; E926-M1065 HydrophobicContact CG-SD 4.04Å; M1065-Q1067 PolarHBondContact O-N 3.47Å; M1065-K1113 HydrophobicContact CE-CB 4.19Å; M1065-K1113 HydrophobicContact CG-CB 4.4Å; M1065-K1113 HydrophobicContact CG-CD 4.18Å; M1065-K1113 HydrophobicContact SD-CB 4.1Å; M1065-K1113 HydrophobicContact SD-CD 4.38Å; M1065-L1114 VanDerWaalsContact CE-O 3.31Å; M1065-L1114 WeakPolarHBondContact CE-O 3.37Å; M1065-P1115 VanDerWaalsContact CE-CA 3.48Å; M1065-P1115 HydrophobicContact CE-CB 3.88Å; M1065-P1115 VanDerWaalsContact CE-N 3.29Å; M1065-N1177 HydrophobicContact CE-CB 3.66Å; M1065-N1177 HydrophobicContact SD-CB 4.01Å; M1065-V1179 HydrophobicContact SD-CG2 3.69Å | ||
| 1066 | E | 74.1 | Confident | 66.1 | Low | 168 Ų | 168 | 72 Ų | 72 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | trans | -66 | 132.5 | 173.4 | -69.9 | -173.9 | 168.8 | 0 | 0 | 110.3 | I1064 | I1064-E1066 PolarHBondContact O-N 2.85Š| ||
| 1067 | Q | 79.3 | Confident | 64.1 | Low | 70 Ų | 70 | 76.4 Ų | 76.4 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | trans | -68 | 135.4 | 175.6 | -175 | -179.9 | -28.4 | 0 | 0 | 110.4 | M1065 K1113 L1114 P1115 S1222 | M1065-Q1067 PolarHBondContact O-N 3.47Å; Q1067-K1113 WeakPolarHBondContact CA-O 3.41Å; Q1067-K1113 WeakPolarHBondContact CG-O 3.25Å; Q1067-L1114 HydrophobicContact CG-CD2 4.38Å; Q1067-P1115 HydrophobicContact CB-CG 3.81Å; Q1067-P1115 HydrophobicContact CG-CG 4.46Å; Q1067-S1222 VanDerWaalsContact CD-N 3.3Å; Q1067-S1222 PolarHBondContact NE2-OG 3.08Å | ||
| 1068 | Y | 72.3 | Confident | 62.2 | Low | 41 Ų | 41 | 80.8 Ų | 80.8 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.6 | 177.8 | 172.4 | -78.6 | 0 | 0 | 0 | 109.6 | I512 F911 D912 L1070 N1111 S1112 K1113 | I512-Y1068 HydrophobicContact CD1-CE1 4.37Å; I512-Y1068 HydrophobicContact CD1-CE2 3.74Å; I512-Y1068 VanDerWaalsContact CD1-OH 3.23Å; I512-Y1068 WeakPolarHBondContact CD1-OH 3.18Å; I512-Y1068 HydrophobicContact CG1-CE2 4.03Å; I512-Y1068 WeakPolarHBondContact CG1-OH 3.4Å; F911-Y1068 HydrophobicContact CB-CE1 3.72Å; F911-Y1068 VanDerWaalsContact CB-OH 3.32Å; F911-Y1068 WeakPolarHBondContact CB-OH 3.4Å; F911-Y1068 AromaticContact CD2-CD1 3.53Å; F911-Y1068 HydrophobicContact CD2-CD1 3.53Å; F911-Y1068 AromaticContact CD2-CE1 3.36Å; F911-Y1068 HydrophobicContact CD2-CE1 3.36Å; F911-Y1068 HydrophobicContact CE2-CD1 4.22Å; F911-Y1068 HydrophobicContact CE2-CE1 4.38Å; F911-Y1068 AromaticContact CG-CE1 3.93Å; F911-Y1068 HydrophobicContact CG-CE1 3.93Å; D912-Y1068 PolarHBondContact OD1-OH 2.78Å; Y1068-L1070 HydrophobicContact CE1-CB 4.45Å; Y1068-N1111 VanDerWaalsContact CE1-O 3.31Å; Y1068-N1111 WeakPolarHBondContact CE1-O 3.21Å; Y1068-S1112 CarbonylContact O-C 3.57Å; Y1068-S1112 VanDerWaalsContact O-CA 3.23Å; Y1068-S1112 WeakPolarHBondContact O-CA 2.93Å; Y1068-S1112 WeakPolarHBondContact O-CB 3.42Å; Y1068-K1113 PolarHBondContact N-O 3.15Å; Y1068-K1113 PolarHBondContact O-N 2.97Å; Y1068-K1113 VanDerWaalsContact O-O 3.14Å |
| 1069 | I | 65.6 | Low | 60.4 | Low | 36 Ų | 36 | 85.9 Ų | 85.9 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.3 | 175.2 | -62.5 | 156 | 0 | 0 | 0 | 106.4 | E1071 Q1080 L1114 L1223 | I1069-E1071 PolarHBondContact O-N 2.99Å; I1069-Q1080 HydrophobicContact CG2-CB 4.02Å; I1069-L1114 HydrophobicContact CD1-CD2 4.09Å; I1069-L1114 HydrophobicContact CG1-CD2 3.81Å; I1069-L1223 HydrophobicContact CD1-CD1 3.53Å; I1069-L1223 HydrophobicContact CD1-CD2 3.82Å; I1069-L1223 HydrophobicContact CD1-CG 3.57Å; I1069-L1223 HydrophobicContact CG1-CD1 4.21Å |
| 1070 | L | 62.9 | Low | 59.1 | Low | 16 Ų | 16 | 88 Ų | 88 | 8% | 0.084 | 46% | 0.464 | C | S | . | . | trans | -62.7 | 104.2 | 177 | -175.8 | 71.1 | 0 | 0 | 0 | 110.3 | I512 Y1068 N1072 Q1080 N1111 | I512-L1070 HydrophobicContact CB-CD1 3.66Å; I512-L1070 HydrophobicContact CD1-CD1 3.67Å; I512-L1070 HydrophobicContact CG1-CD1 3.33Å; I512-L1070 HydrophobicContact CG2-CD1 3.3Å; I512-L1070 HydrophobicContact CG2-CG 4.31Å; Y1068-L1070 HydrophobicContact CE1-CB 4.45Å; L1070-N1072 WeakPolarHBondContact CD2-OD1 3.44Å; L1070-N1072 PolarHBondContact O-N 3.24Å; L1070-Q1080 PolarHBondContact O-NE2 2.96Å; L1070-Q1080 PolarHBondContact O-OE1 3.32Å; L1070-N1111 HydrophobicContact CB-CB 3.63Å; L1070-N1111 WeakPolarHBondContact CB-O 3.41Å; L1070-N1111 HydrophobicContact CD2-CB 3.54Å; L1070-N1111 WeakPolarHBondContact CD2-ND2 3.42Å; L1070-N1111 HydrophobicContact CG-CB 4.1Å; L1070-N1111 PolarHBondContact N-O 3.18Å | ||
| 1071 | E | 54.2 | Low | 58.1 | Low | 157 Ų | 157 | 93 Ų | 93 | 73% | 0.734 | 49% | 0.488 | S | S | * | . | trans | -70.7 | 85.5 | 165.7 | -70.6 | -172.3 | 167.5 | 0 | 0 | 108.2 | I1069 N1073 | I1069-E1071 PolarHBondContact O-N 2.99Å; E1071-N1073 PolarHBondContact O-N 3.06Å | ||
| 1072 | N | 43.9 | Very low | 57.9 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | trans | -62.2 | 123 | 165.8 | -90.4 | -20.5 | 0 | 0 | 0 | 107.4 | L1070 K1074 | L1070-N1072 WeakPolarHBondContact CD2-OD1 3.44Å; L1070-N1072 PolarHBondContact O-N 3.24Å; N1072-K1074 PolarHBondContact O-N 2.9Å | ||
| 1073 | N | 39.2 | Very low | 57.9 | Low | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | trans | -60.5 | 22.9 | 173.5 | -87.2 | -16.7 | 0 | 0 | 0 | 114.9 | E1071 | E1071-N1073 PolarHBondContact O-N 3.06Š| ||
| 1074 | K | 35.2 | Very low | 58.4 | Low | 127 Ų | 127 | 90.5 Ų | 90.5 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -66.9 | 138.1 | 161.4 | -70.7 | -177.2 | -177.7 | 172.2 | 0 | 107.2 | N1072 D1078 | N1072-K1074 PolarHBondContact O-N 2.9Å; K1074-D1078 HydrophobicContact CB-CB 4.44Å |
| 1075 | S | 37.1 | Very low | 59 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | trans | -28.6 | 140.7 | -166.9 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | N1077 D1078 | S1075-N1077 CarbonylContact O-C 3.58Å; S1075-N1077 PolarHBondContact O-N 2.93Å; S1075-D1078 PolarHBondContact O-N 2.86Å | ||
| 1076 | L | 36.2 | Very low | 59.2 | Low | 170 Ų | 170 | 86.6 Ų | 86.6 | 89% | 0.89 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.1 | -15.5 | -178.2 | -121.8 | 90.3 | 0 | 0 | 0 | 117.4 | ||
| 1077 | N | 38.9 | Very low | 59.1 | Low | 150 Ų | 150 | 83.5 Ų | 83.5 | 80% | 0.802 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -14.9 | 175.7 | -71 | -12.1 | 0 | 0 | 0 | 115.4 | S1075 K1079 | S1075-N1077 CarbonylContact O-C 3.58Å; S1075-N1077 PolarHBondContact O-N 2.93Å; N1077-K1079 PolarHBondContact O-N 3.32Å |
| 1078 | D | 39.7 | Very low | 58.4 | Low | 108 Ų | 108 | 82.8 Ų | 82.8 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | trans | -99 | 51 | 177.2 | -74.5 | -15.3 | 0 | 0 | 0 | 110.9 | K1074 S1075 Q1080 | K1074-D1078 HydrophobicContact CB-CB 4.44Å; S1075-D1078 PolarHBondContact O-N 2.86Å; D1078-Q1080 PolarHBondContact O-N 3.06Å | ||
| 1079 | K | 46.5 | Very low | 57.7 | Low | 169 Ų | 169 | 85.6 Ų | 85.6 | 74% | 0.735 | 45% | 0.453 | S | S | * | . | trans | -52.6 | 128.7 | 167.3 | -74.7 | -174.1 | 177.2 | -176.8 | 0 | 107.7 | N1077 I1081 | N1077-K1079 PolarHBondContact O-N 3.32Å; K1079-I1081 VanDerWaalsContact C-N 3.27Å; K1079-I1081 HydrophobicContact CB-CG2 4.49Å; K1079-I1081 PolarHBondContact O-N 3.36Å | ||
| 1080 | Q | 54.1 | Low | 57.1 | Low | 44 Ų | 44 | 87.9 Ų | 87.9 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | trans | -59.3 | 94.6 | 172.3 | -79.2 | -165.5 | -3 | 0 | 0 | 108.9 | I1069 L1070 D1078 P1109 E1110 | I1069-Q1080 HydrophobicContact CG2-CB 4.02Å; L1070-Q1080 PolarHBondContact O-NE2 2.96Å; L1070-Q1080 PolarHBondContact O-OE1 3.32Å; D1078-Q1080 PolarHBondContact O-N 3.06Å; Q1080-P1109 HydrophobicContact CB-CB 4.29Å; Q1080-E1110 PolarHBondContact NE2-O 3.48Å; Q1080-E1110 PolarHBondContact OE1-O 2.76Å | ||
| 1081 | I | 62.8 | Low | 56.9 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 59% | 0.59 | 50% | 0.498 | S | S | * | . | trans | -91.1 | 150.6 | 176.5 | 53.1 | 170.8 | 0 | 0 | 0 | 109.5 | K1079 I1083 | K1079-I1081 VanDerWaalsContact C-N 3.27Å; K1079-I1081 HydrophobicContact CB-CG2 4.49Å; K1079-I1081 PolarHBondContact O-N 3.36Å; I1081-I1083 HydrophobicContact CG1-CG1 4.32Å; I1081-I1083 PolarHBondContact O-N 3.19Å; I1081-I1083 VanDerWaalsContact O-N 3.13Å | ||
| 1082 | L | 73.1 | Confident | 57.6 | Low | 11 Ų | 11 | 94.8 Ų | 94.8 | 6% | 0.058 | 49% | 0.494 | C | S | . | . | trans | -66.7 | 108 | 167.4 | -173 | 72.4 | 0 | 0 | 0 | 108 | V1084 I1106 A1218 F1220 L1223 | L1082-V1084 HydrophobicContact CD2-CG1 4.12Å; L1082-V1084 HydrophobicContact CG-CG1 4.13Å; L1082-V1084 PolarHBondContact O-N 3.45Å; L1082-I1106 HydrophobicContact CD1-CG2 3.67Å; L1082-I1106 HydrophobicContact CD2-CG2 4.48Å; L1082-I1106 HydrophobicContact CG-CG2 4.17Å; L1082-A1218 HydrophobicContact CD2-CB 3.67Å; L1082-F1220 HydrophobicContact CD1-CB 4.44Å; L1082-F1220 HydrophobicContact CD1-CD1 4.37Å; L1082-F1220 HydrophobicContact CD1-CD2 4.34Å; L1082-F1220 HydrophobicContact CD1-CG 4.15Å; L1082-F1220 HydrophobicContact CD2-CB 4.44Å; L1082-F1220 HydrophobicContact CD2-CD2 3.85Å; L1082-F1220 HydrophobicContact CD2-CE2 4.49Å; L1082-F1220 HydrophobicContact CD2-CG 4.27Å; L1082-L1223 HydrophobicContact CB-CB 4.28Å | ||
| 1083 | I | 78.2 | Confident | 59.1 | Low | 83 Ų | 83 | 93 Ų | 93 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 111.4 | 177.3 | -57.5 | 172.1 | 0 | 0 | 0 | 107.6 | I1081 Q1107 | I1081-I1083 HydrophobicContact CG1-CG1 4.32Å; I1081-I1083 PolarHBondContact O-N 3.19Å; I1081-I1083 VanDerWaalsContact O-N 3.13Å; I1083-Q1107 HydrophobicContact CB-CB 4.19Å; I1083-Q1107 PolarHBondContact O-N 3.11Å |
| 1084 | V | 83.1 | Confident | 61.2 | Low | 25 Ų | 25 | 91.2 Ų | 91.2 | 15% | 0.152 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.1 | 172.9 | -67.6 | 0 | 0 | 0 | 0 | 109 | L1082 F1105 I1106 M1216 A1218 T1227 | L1082-V1084 HydrophobicContact CD2-CG1 4.12Å; L1082-V1084 HydrophobicContact CG-CG1 4.13Å; L1082-V1084 PolarHBondContact O-N 3.45Å; V1084-F1105 WeakPolarHBondContact CA-O 3.2Å; V1084-I1106 HydrophobicContact CG1-CG1 4.33Å; V1084-I1106 HydrophobicContact CG1-CG2 4.39Å; V1084-M1216 HydrophobicContact CB-CE 3.69Å; V1084-M1216 HydrophobicContact CG1-CE 3.53Å; V1084-A1218 HydrophobicContact CG1-CB 4.06Å; V1084-T1227 HydrophobicContact CB-CG2 4.08Å; V1084-T1227 HydrophobicContact CG2-CG2 4.25Å |
| 1085 | S | 84 | Confident | 63.3 | Low | 51 Ų | 51 | 85.7 Ų | 85.7 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | F1104 F1105 | S1085-F1104 WeakPolarHBondContact O-CA 3.29Å; S1085-F1105 PolarHBondContact N-O 2.94Å; S1085-F1105 PolarHBondContact O-N 3.09Å |
| 1086 | A | 82.3 | Confident | 65.4 | Low | 23 Ų | 23 | 82.2 Ų | 82.2 | 19% | 0.19 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1103 F1104 T1227 I1229 | A1086-T1103 WeakPolarHBondContact CA-O 3.34Å; A1086-F1104 HydrophobicContact CB-CD1 3.66Å; A1086-F1104 HydrophobicContact CB-CE1 3.82Å; A1086-T1227 HydrophobicContact CB-CG2 4.34Å; A1086-I1229 HydrophobicContact CB-CB 3.96Å; A1086-I1229 HydrophobicContact CB-CD1 3.91Å; A1086-I1229 HydrophobicContact CB-CG1 4.45Å |
| 1087 | N | 73.3 | Confident | 67.4 | Low | 103 Ų | 103 | 74.7 Ų | 74.7 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142 | 172.8 | -84.6 | -11.9 | 0 | 0 | 0 | 110 | T1103 F1105 I1229 | N1087-T1103 PolarHBondContact N-O 2.77Å; N1087-F1105 HydrophobicContact CB-CE2 4.19Å; N1087-I1229 VanDerWaalsContact C-CD1 3.43Å; N1087-I1229 WeakPolarHBondContact O-CD1 3.06Å |
| 1088 | T | 63.7 | Low | 69.5 | Low | 55 Ų | 55 | 71.5 Ų | 71.5 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.2 | 165.9 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | E1090 N1091 I1229 | T1088-E1090 VanDerWaalsContact C-N 3.31Å; T1088-N1091 PolarHBondContact OG1-OD1 3.18Å; T1088-I1229 HydrophobicContact CG2-CD1 3.48Å; T1088-I1229 VanDerWaalsContact CG2-CD1 3.48Å; T1088-I1229 HydrophobicContact CG2-CG1 3.6Å |
| 1089 | T | 56.8 | Low | 71.6 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -78.2 | -19.6 | 171.8 | 19.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1090 | E | 54.6 | Low | 73.4 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | trans | -142.1 | 120.1 | -173.8 | -71.4 | -175.5 | 179.2 | 0 | 0 | 110.9 | T1088 Y1092 R1094 | T1088-E1090 VanDerWaalsContact C-N 3.31Å; E1090-Y1092 HydrophobicContact CB-CD2 3.95Å; E1090-Y1092 HydrophobicContact CG-CD2 4.25Å; E1090-Y1092 PolarHBondContact O-N 2.84Å; E1090-R1094 IonicContact OE2-CZ 2.68Å; E1090-R1094 IonicContact OE2-NH2 3.07Å; E1090-R1094 PolarHBondContact OE2-NH2 3.25Å | ||
| 1091 | N | 58.8 | Low | 74.9 | Confident | 152 Ų | 152 | 63.4 Ų | 63.4 | 81% | 0.813 | 34% | 0.341 | S | S | * | . | trans | -85 | 12.8 | 175.5 | -80.7 | -15.9 | 0 | 0 | 0 | 113.1 | T1088 | T1088-N1091 PolarHBondContact OG1-OD1 3.18Š| ||
| 1092 | Y | 67.4 | Low | 76 | Confident | 165 Ų | 165 | 58 Ų | 58 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | trans | -73.3 | 137.2 | -179.9 | -61.2 | -68.4 | 0 | 0 | 0 | 110.1 | E1090 Q1231 | E1090-Y1092 HydrophobicContact CB-CD2 3.95Å; E1090-Y1092 HydrophobicContact CG-CD2 4.25Å; E1090-Y1092 PolarHBondContact O-N 2.84Å; Y1092-Q1231 PolarHBondContact O-NE2 2.84Å | ||
| 1093 | A | 76.9 | Confident | 76.7 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | trans | -66.8 | 143.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1232 E1234 | A1093-V1232 WeakPolarHBondContact CA-O 3.41Å; A1093-V1232 HydrophobicContact CB-CG1 4.38Å; A1093-E1234 HydrophobicContact CB-CB 3.64Å | ||
| 1094 | R | 81.7 | Confident | 77.3 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 25% | 0.249 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 143 | -172.7 | -69.5 | -68.6 | -172.1 | 176.3 | 1.2 | 110.3 | E1090 E1098 I1200 Q1231 V1232 I1233 E1234 | E1090-R1094 IonicContact OE2-CZ 2.68Å; E1090-R1094 IonicContact OE2-NH2 3.07Å; E1090-R1094 PolarHBondContact OE2-NH2 3.25Å; R1094-E1098 WeakPolarHBondContact CA-OE2 3.19Å; R1094-E1098 WeakPolarHBondContact CD-OE2 3.33Å; R1094-E1098 IonicContact NH1-OE2 2.75Å; R1094-I1200 HydrophobicContact CB-CD1 3.39Å; R1094-Q1231 HydrophobicContact CB-CG 4.23Å; R1094-Q1231 HydrophobicContact CG-CG 4.49Å; R1094-V1232 PolarHBondContact N-O 3.24Å; R1094-V1232 VanDerWaalsContact N-O 3.09Å; R1094-I1233 WeakPolarHBondContact O-CA 3.45Å; R1094-E1234 PolarHBondContact O-N 3.32Å |
| 1095 | G | 80.6 | Confident | 77.5 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | trans | -92.1 | 163.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1098 E1234 | G1095-E1098 PolarHBondContact N-OE2 2.86Å; G1095-E1098 WeakPolarHBondContact O-CB 3.32Å; G1095-E1098 PolarHBondContact O-N 2.93Å; G1095-E1098 VanDerWaalsContact O-N 3.15Å; G1095-E1234 VanDerWaalsContact CA-O 3.25Å; G1095-E1234 WeakPolarHBondContact CA-O 3.44Å | ||
| 1096 | P | 80.9 | Confident | 77.6 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 138.6 | 171.4 | -16 | 27.9 | 0 | 0 | 0 | 111.7 | E1098 I1200 D1202 R1235 S1279 | P1096-E1098 VanDerWaalsContact C-N 3.26Å; P1096-E1098 PolarHBondContact O-N 3.47Å; P1096-I1200 HydrophobicContact CB-CG2 4.47Å; P1096-D1202 HydrophobicContact CB-CB 4.4Å; P1096-R1235 HydrophobicContact CG-CG 4.17Å; P1096-S1279 WeakPolarHBondContact O-CA 3.44Å |
| 1097 | G | 77.7 | Confident | 77.6 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -19.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1199 I1200 | G1097-R1199 WeakPolarHBondContact O-CD 3.37Å; G1097-R1199 WeakPolarHBondContact O-CG 3.49Å; G1097-I1200 PolarHBondContact N-O 2.84Å |
| 1098 | E | 84 | Confident | 78 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | trans | -76.5 | 148.6 | 174.9 | -59.6 | -173.8 | 162 | 0 | 0 | 111.8 | R1094 G1095 P1096 R1199 I1200 | R1094-E1098 WeakPolarHBondContact CA-OE2 3.19Å; R1094-E1098 WeakPolarHBondContact CD-OE2 3.33Å; R1094-E1098 IonicContact NH1-OE2 2.75Å; G1095-E1098 PolarHBondContact N-OE2 2.86Å; G1095-E1098 WeakPolarHBondContact O-CB 3.32Å; G1095-E1098 PolarHBondContact O-N 2.93Å; G1095-E1098 VanDerWaalsContact O-N 3.15Å; P1096-E1098 VanDerWaalsContact C-N 3.26Å; P1096-E1098 PolarHBondContact O-N 3.47Å; E1098-R1199 WeakPolarHBondContact O-CA 3.34Å; E1098-I1200 PolarHBondContact O-N 3.33Å; E1098-I1200 VanDerWaalsContact O-N 3.08Å | ||
| 1099 | T | 83.6 | Confident | 78.5 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.2 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 111 | L1137 A1198 R1199 | T1099-L1137 HydrophobicContact CG2-CD1 3.75Å; T1099-A1198 CarbonylContact C-O 3.57Å; T1099-A1198 WeakPolarHBondContact CA-O 3.19Å; T1099-R1199 HydrophobicContact CG2-CB 4.33Å; T1099-R1199 HydrophobicContact CG2-CG 4.47Å |
| 1100 | T | 84.4 | Confident | 79.3 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.5 | 173.4 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | F1102 A1198 | T1100-F1102 HydrophobicContact CG2-CD2 4.12Å; T1100-F1102 HydrophobicContact CG2-CE1 4.18Å; T1100-F1102 HydrophobicContact CG2-CE2 3.39Å; T1100-F1102 HydrophobicContact CG2-CZ 3.43Å; T1100-F1102 VanDerWaalsContact CG2-CZ 3.43Å; T1100-A1198 PolarHBondContact N-O 3.41Å; T1100-A1198 PolarHBondContact O-N 2.82Å |
| 1101 | E | 84.8 | Confident | 80 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119 | 178 | -177.9 | 177.2 | -132 | 0 | 0 | 109.7 | N1195 H1197 | E1101-N1195 HydrophobicContact CG-CB 4.23Å; E1101-N1195 WeakPolarHBondContact OE1-CB 3.41Å; E1101-N1195 PolarHBondContact OE1-ND2 3.45Å; E1101-H1197 IonicContact OE1-CD2 3.75Å; E1101-H1197 IonicContact OE1-CE1 2.75Å; E1101-H1197 IonicContact OE1-NE2 2.97Å; E1101-H1197 PolarHBondContact OE1-NE2 3.24Å |
| 1102 | F | 87 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.3 | 174.5 | -61.5 | -73.3 | 0 | 0 | 0 | 110 | T1100 F1104 L1134 N1195 V1196 A1198 L1214 I1229 Q1231 | T1100-F1102 HydrophobicContact CG2-CD2 4.12Å; T1100-F1102 HydrophobicContact CG2-CE1 4.18Å; T1100-F1102 HydrophobicContact CG2-CE2 3.39Å; T1100-F1102 HydrophobicContact CG2-CZ 3.43Å; T1100-F1102 VanDerWaalsContact CG2-CZ 3.43Å; F1102-F1104 HydrophobicContact CB-CD2 4.46Å; F1102-F1104 HydrophobicContact CB-CE2 3.7Å; F1102-F1104 HydrophobicContact CB-CZ 4.26Å; F1102-L1134 HydrophobicContact CE2-CD1 4.18Å; F1102-L1134 HydrophobicContact CZ-CD1 4.33Å; F1102-N1195 WeakPolarHBondContact O-CA 3.44Å; F1102-V1196 HydrophobicContact CB-CB 4.42Å; F1102-V1196 PolarHBondContact N-O 2.95Å; F1102-V1196 PolarHBondContact O-N 3.33Å; F1102-A1198 HydrophobicContact CD2-CB 4.14Å; F1102-A1198 HydrophobicContact CE2-CB 3.92Å; F1102-L1214 HydrophobicContact CB-CD2 3.95Å; F1102-L1214 HydrophobicContact CD2-CB 4.41Å; F1102-L1214 HydrophobicContact CD2-CD2 3.45Å; F1102-L1214 VanDerWaalsContact CD2-CD2 3.45Å; F1102-L1214 HydrophobicContact CE2-CB 4.38Å; F1102-L1214 HydrophobicContact CE2-CD2 4.08Å; F1102-L1214 HydrophobicContact CG-CD2 3.83Å; F1102-I1229 HydrophobicContact CB-CG2 4.14Å; F1102-I1229 HydrophobicContact CD1-CB 4.32Å; F1102-I1229 HydrophobicContact CD1-CD1 4.08Å; F1102-I1229 HydrophobicContact CD1-CG1 4.01Å; F1102-I1229 HydrophobicContact CD1-CG2 3.37Å; F1102-I1229 HydrophobicContact CE1-CG1 4.45Å; F1102-I1229 HydrophobicContact CE1-CG2 3.93Å; F1102-I1229 HydrophobicContact CG-CG2 3.93Å; F1102-Q1231 HydrophobicContact CE1-CB 4.09Å; F1102-Q1231 HydrophobicContact CZ-CB 4.01Å |
| 1103 | T | 87.3 | Confident | 81.4 | Confident | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | A1086 N1087 F1105 K1193 N1195 | A1086-T1103 WeakPolarHBondContact CA-O 3.34Å; N1087-T1103 PolarHBondContact N-O 2.77Å; T1103-F1105 HydrophobicContact CG2-CD2 4.41Å; T1103-F1105 HydrophobicContact CG2-CE1 4.17Å; T1103-F1105 HydrophobicContact CG2-CE2 3.65Å; T1103-F1105 HydrophobicContact CG2-CZ 3.51Å; T1103-K1193 HydrophobicContact CG2-CD 4.37Å; T1103-K1193 HydrophobicContact CG2-CG 3.97Å; T1103-N1195 WeakPolarHBondContact CG2-OD1 3.25Å; T1103-N1195 PolarHBondContact OG1-OD1 3.05Å |
| 1104 | F | 90.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.2 | 175.1 | -60.8 | -90.5 | 0 | 0 | 0 | 111 | S1085 A1086 F1102 F1121 K1193 I1194 V1196 L1214 M1216 T1227 I1229 | S1085-F1104 WeakPolarHBondContact O-CA 3.29Å; A1086-F1104 HydrophobicContact CB-CD1 3.66Å; A1086-F1104 HydrophobicContact CB-CE1 3.82Å; F1102-F1104 HydrophobicContact CB-CD2 4.46Å; F1102-F1104 HydrophobicContact CB-CE2 3.7Å; F1102-F1104 HydrophobicContact CB-CZ 4.26Å; F1104-F1121 HydrophobicContact CD2-CD1 4.31Å; F1104-F1121 AromaticContact CD2-CE1 3.68Å; F1104-F1121 HydrophobicContact CD2-CE1 3.68Å; F1104-F1121 HydrophobicContact CE2-CD1 4.05Å; F1104-F1121 AromaticContact CE2-CE1 3.9Å; F1104-F1121 HydrophobicContact CE2-CE1 3.9Å; F1104-F1121 HydrophobicContact CG-CE1 4.12Å; F1104-F1121 HydrophobicContact CZ-CD1 4.44Å; F1104-K1193 WeakPolarHBondContact O-CA 3.41Å; F1104-I1194 PolarHBondContact N-O 3.13Å; F1104-I1194 PolarHBondContact O-N 3.3Å; F1104-V1196 HydrophobicContact CD2-CG2 3.97Å; F1104-V1196 HydrophobicContact CE2-CB 4.32Å; F1104-V1196 HydrophobicContact CE2-CG2 3.89Å; F1104-L1214 HydrophobicContact CE2-CD2 3.75Å; F1104-L1214 HydrophobicContact CE2-CG 4.46Å; F1104-L1214 HydrophobicContact CZ-CB 4.48Å; F1104-L1214 HydrophobicContact CZ-CD2 3.81Å; F1104-L1214 HydrophobicContact CZ-CG 4.06Å; F1104-M1216 HydrophobicContact CB-CE 4.5Å; F1104-M1216 HydrophobicContact CB-SD 3.61Å; F1104-M1216 HydrophobicContact CD1-CB 3.71Å; F1104-M1216 HydrophobicContact CD1-CG 4.37Å; F1104-M1216 HydrophobicContact CD1-SD 3.88Å; F1104-M1216 HydrophobicContact CE1-CB 3.68Å; F1104-M1216 HydrophobicContact CG-CB 4.32Å; F1104-M1216 HydrophobicContact CG-SD 3.82Å; F1104-M1216 HydrophobicContact CZ-CB 4.26Å; F1104-T1227 HydrophobicContact CD1-CG2 3.72Å; F1104-T1227 HydrophobicContact CE1-CG2 4.05Å; F1104-I1229 HydrophobicContact CE1-CG2 4Å; F1104-I1229 HydrophobicContact CE2-CG2 4.46Å; F1104-I1229 HydrophobicContact CZ-CG2 3.59Å |
| 1105 | F | 86.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 26.9 Ų | 26.9 | 24% | 0.237 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.6 | 175.4 | -58.7 | -83.3 | 0 | 0 | 0 | 109.8 | V1084 S1085 N1087 T1103 I1191 I1192 K1193 | V1084-F1105 WeakPolarHBondContact CA-O 3.2Å; S1085-F1105 PolarHBondContact N-O 2.94Å; S1085-F1105 PolarHBondContact O-N 3.09Å; N1087-F1105 HydrophobicContact CB-CE2 4.19Å; T1103-F1105 HydrophobicContact CG2-CD2 4.41Å; T1103-F1105 HydrophobicContact CG2-CE1 4.17Å; T1103-F1105 HydrophobicContact CG2-CE2 3.65Å; T1103-F1105 HydrophobicContact CG2-CZ 3.51Å; F1105-I1191 HydrophobicContact CB-CG2 4.15Å; F1105-I1191 HydrophobicContact CD1-CG2 3.77Å; F1105-I1191 HydrophobicContact CG-CG2 4.45Å; F1105-I1192 WeakPolarHBondContact CA-O 3.35Å; F1105-K1193 HydrophobicContact CD1-CB 4.12Å; F1105-K1193 HydrophobicContact CD1-CG 4.18Å; F1105-K1193 HydrophobicContact CE1-CB 4.1Å; F1105-K1193 HydrophobicContact CE1-CD 3.91Å; F1105-K1193 HydrophobicContact CE1-CG 3.77Å; F1105-K1193 HydrophobicContact CZ-CD 4.5Å; F1105-K1193 HydrophobicContact CZ-CG 4.46Å |
| 1106 | I | 87.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 112.6 | 173.3 | -52.6 | 175.5 | 0 | 0 | 0 | 107.1 | L1082 V1084 V1108 V1119 I1191 I1192 I1194 M1216 A1218 F1220 | L1082-I1106 HydrophobicContact CD1-CG2 3.67Å; L1082-I1106 HydrophobicContact CD2-CG2 4.48Å; L1082-I1106 HydrophobicContact CG-CG2 4.17Å; V1084-I1106 HydrophobicContact CG1-CG1 4.33Å; V1084-I1106 HydrophobicContact CG1-CG2 4.39Å; I1106-V1108 HydrophobicContact CG2-CG2 4.42Å; I1106-V1119 HydrophobicContact CD1-CG2 3.5Å; I1106-I1191 WeakPolarHBondContact O-CA 3.34Å; I1106-I1192 HydrophobicContact CB-CB 4.31Å; I1106-I1192 PolarHBondContact N-O 3.42Å; I1106-I1192 PolarHBondContact O-N 3.34Å; I1106-I1194 HydrophobicContact CD1-CD1 3.83Å; I1106-M1216 HydrophobicContact CD1-CE 4.03Å; I1106-M1216 HydrophobicContact CD1-SD 4.08Å; I1106-M1216 HydrophobicContact CG1-CE 3.73Å; I1106-M1216 HydrophobicContact CG1-SD 4.17Å; I1106-A1218 HydrophobicContact CD1-CB 4.17Å; I1106-F1220 HydrophobicContact CD1-CE2 4.18Å; I1106-F1220 HydrophobicContact CD1-CZ 4.17Å; I1106-F1220 HydrophobicContact CG2-CE1 4.5Å; I1106-F1220 HydrophobicContact CG2-CE2 4.3Å; I1106-F1220 HydrophobicContact CG2-CZ 4.05Å |
| 1107 | Q | 82.1 | Confident | 82.4 | Confident | 88 Ų | 88 | 31.6 Ų | 31.6 | 41% | 0.411 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 108.4 | 170 | -179.2 | 175.7 | -9.7 | 0 | 0 | 108.4 | I1083 | I1083-Q1107 HydrophobicContact CB-CB 4.19Å; I1083-Q1107 PolarHBondContact O-N 3.11Å |
| 1108 | V | 82.2 | Confident | 83 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 134 | -179.5 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | I1106 E1110 L1114 F1147 N1180 S1190 I1192 F1220 | I1106-V1108 HydrophobicContact CG2-CG2 4.42Å; V1108-E1110 PolarHBondContact O-N 3.18Å; V1108-L1114 HydrophobicContact CG1-CD1 3.66Å; V1108-F1147 HydrophobicContact CB-CE2 4.4Å; V1108-F1147 HydrophobicContact CB-CZ 4.13Å; V1108-F1147 HydrophobicContact CG1-CZ 4.4Å; V1108-F1147 HydrophobicContact CG2-CE2 4.08Å; V1108-F1147 HydrophobicContact CG2-CZ 4.06Å; V1108-N1180 HydrophobicContact CB-CB 4.47Å; V1108-N1180 HydrophobicContact CG1-CB 3.84Å; V1108-N1180 PolarHBondContact O-ND2 2.86Å; V1108-S1190 PolarHBondContact N-O 2.89Å; V1108-S1190 VanDerWaalsContact N-O 3.11Å; V1108-I1192 HydrophobicContact CG2-CD1 3.98Å; V1108-I1192 HydrophobicContact CG2-CG1 4.37Å; V1108-F1220 HydrophobicContact CG2-CD1 4.43Å; V1108-F1220 HydrophobicContact CG2-CE1 3.93Å |
| 1109 | P | 74.3 | Confident | 83.4 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 135.7 | 176.9 | -25.1 | 32.6 | 0 | 0 | 0 | 112.3 | Q1080 S1112 N1180 L1223 | Q1080-P1109 HydrophobicContact CB-CB 4.29Å; P1109-S1112 PolarHBondContact O-OG 3.37Å; P1109-N1180 WeakPolarHBondContact O-CB 3.42Å; P1109-N1180 PolarHBondContact O-ND2 2.82Å; P1109-L1223 HydrophobicContact CG-CD1 3.71Å |
| 1110 | E | 71.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 27.6 Ų | 27.6 | 34% | 0.336 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -67.8 | 146.5 | 177.7 | -70.3 | 173.5 | -167.5 | 0 | 0 | 111.3 | Q1080 V1108 N1182 | Q1080-E1110 PolarHBondContact NE2-O 3.48Å; Q1080-E1110 PolarHBondContact OE1-O 2.76Å; V1108-E1110 PolarHBondContact O-N 3.18Å; E1110-N1182 HydrophobicContact CB-CB 4.01Å; E1110-N1182 HydrophobicContact CG-CB 4.35Å; E1110-N1182 WeakPolarHBondContact CG-OD1 3.48Å; E1110-N1182 VanDerWaalsContact OE2-CG 3.3Å; E1110-N1182 PolarHBondContact OE2-ND2 2.89Å; E1110-N1182 PolarHBondContact OE2-OD1 2.83Å |
| 1111 | N | 70.5 | Confident | 84.1 | Confident | 32 Ų | 32 | 26.9 Ų | 26.9 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 54.9 | 53.8 | -178.7 | -62.6 | -46.9 | 0 | 0 | 0 | 112.4 | F911 Y1068 L1070 N1180 P1181 N1182 | F911-N1111 HydrophobicContact CB-CB 4.46Å; F911-N1111 HydrophobicContact CD1-CB 4.1Å; F911-N1111 HydrophobicContact CD2-CB 4.48Å; F911-N1111 HydrophobicContact CG-CB 4.07Å; Y1068-N1111 VanDerWaalsContact CE1-O 3.31Å; Y1068-N1111 WeakPolarHBondContact CE1-O 3.21Å; L1070-N1111 HydrophobicContact CB-CB 3.63Å; L1070-N1111 WeakPolarHBondContact CB-O 3.41Å; L1070-N1111 HydrophobicContact CD2-CB 3.54Å; L1070-N1111 WeakPolarHBondContact CD2-ND2 3.42Å; L1070-N1111 HydrophobicContact CG-CB 4.1Å; L1070-N1111 PolarHBondContact N-O 3.18Å; N1111-N1180 CarbonylContact C-O 3.54Å; N1111-N1180 WeakPolarHBondContact CA-O 3.5Å; N1111-N1180 PolarHBondContact N-O 3.5Å; N1111-P1181 PolarHBondContact OD1-O 2.76Å; N1111-P1181 VanDerWaalsContact OD1-O 3.04Å; N1111-N1182 PolarHBondContact ND2-ND2 3.35Å; N1111-N1182 VanDerWaalsContact OD1-CB 3.27Å; N1111-N1182 WeakPolarHBondContact OD1-CB 3.4Å |
| 1112 | S | 74.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.8 | -177.9 | 66 | 0 | 0 | 0 | 0 | 113.6 | Y1068 P1109 V1179 N1180 | Y1068-S1112 CarbonylContact O-C 3.57Å; Y1068-S1112 VanDerWaalsContact O-CA 3.23Å; Y1068-S1112 WeakPolarHBondContact O-CA 2.93Å; Y1068-S1112 WeakPolarHBondContact O-CB 3.42Å; P1109-S1112 PolarHBondContact O-OG 3.37Å; S1112-V1179 CarbonylContact O-C 3.53Å; S1112-V1179 WeakPolarHBondContact O-CA 3.45Å; S1112-N1180 PolarHBondContact N-O 2.84Å; S1112-N1180 PolarHBondContact O-N 2.72Å |
| 1113 | K | 80.4 | Confident | 84.2 | Confident | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.5 | 165 | -60.8 | -169.1 | 178.1 | -170.2 | 0 | 108.5 | I909 F911 E926 M1065 Q1067 Y1068 V1179 | I909-K1113 WeakPolarHBondContact O-CE 3.37Å; I909-K1113 PolarHBondContact O-NZ 2.8Å; F911-K1113 HydrophobicContact CE2-CG 3.92Å; E926-K1113 IonicContact OE1-NZ 2.79Å; E926-K1113 PolarHBondContact OE1-NZ 3.39Å; M1065-K1113 HydrophobicContact CE-CB 4.19Å; M1065-K1113 HydrophobicContact CG-CB 4.4Å; M1065-K1113 HydrophobicContact CG-CD 4.18Å; M1065-K1113 HydrophobicContact SD-CB 4.1Å; M1065-K1113 HydrophobicContact SD-CD 4.38Å; Q1067-K1113 WeakPolarHBondContact CA-O 3.41Å; Q1067-K1113 WeakPolarHBondContact CG-O 3.25Å; Y1068-K1113 PolarHBondContact N-O 3.15Å; Y1068-K1113 PolarHBondContact O-N 2.97Å; Y1068-K1113 VanDerWaalsContact O-O 3.14Å; K1113-V1179 HydrophobicContact CB-CG2 4.48Å; K1113-V1179 HydrophobicContact CG-CG1 4.26Å; K1113-V1179 HydrophobicContact CG-CG2 4.18Å |
| 1114 | L | 84.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 101.9 | -172.6 | -59.2 | 170.6 | 0 | 0 | 0 | 108.5 | M1065 Q1067 I1069 V1108 C1117 L1178 F1220 L1223 | M1065-L1114 VanDerWaalsContact CE-O 3.31Å; M1065-L1114 WeakPolarHBondContact CE-O 3.37Å; Q1067-L1114 HydrophobicContact CG-CD2 4.38Å; I1069-L1114 HydrophobicContact CD1-CD2 4.09Å; I1069-L1114 HydrophobicContact CG1-CD2 3.81Å; V1108-L1114 HydrophobicContact CG1-CD1 3.66Å; L1114-C1117 WeakPolarHBondContact CB-SG 3.41Å; L1114-C1117 PolarHBondContact O-SG 2.89Å; L1114-L1178 PolarHBondContact N-O 3.07Å; L1114-L1178 PolarHBondContact O-N 3.37Å; L1114-F1220 HydrophobicContact CB-CB 4.17Å; L1114-F1220 HydrophobicContact CD1-CB 3.88Å; L1114-F1220 HydrophobicContact CD1-CD1 3.98Å; L1114-F1220 HydrophobicContact CD1-CG 4.44Å; L1114-F1220 HydrophobicContact CG-CB 4.43Å; L1114-L1223 HydrophobicContact CD2-CD1 4.13Å |
| 1115 | P | 84.9 | Confident | 82.4 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 153.2 | 179.9 | 30.2 | -33.3 | 0 | 0 | 0 | 111.4 | M1065 Q1067 C1117 N1177 G1221 | M1065-P1115 VanDerWaalsContact CE-CA 3.48Å; M1065-P1115 HydrophobicContact CE-CB 3.88Å; M1065-P1115 VanDerWaalsContact CE-N 3.29Å; Q1067-P1115 HydrophobicContact CB-CG 3.81Å; Q1067-P1115 HydrophobicContact CG-CG 4.46Å; P1115-C1117 VanDerWaalsContact C-N 3.31Å; P1115-C1117 PolarHBondContact O-N 2.76Å; P1115-N1177 VanDerWaalsContact CA-OD1 3.3Å; P1115-N1177 WeakPolarHBondContact CA-OD1 3.28Å; P1115-G1221 WeakPolarHBondContact O-CA 3.08Å; P1115-G1221 PolarHBondContact O-N 3.36Å |
| 1116 | N | 84.1 | Confident | 81.3 | Confident | 114 Ų | 114 | 29.5 Ų | 29.5 | 61% | 0.61 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 47.4 | 174.5 | -56.2 | -36.8 | 0 | 0 | 0 | 113.6 | G1176 N1177 | N1116-G1176 CarbonylContact C-O 3.52Å; N1116-G1176 PolarHBondContact N-O 3.01Å; N1116-N1177 PolarHBondContact N-OD1 3.04Å |
| 1117 | C | 87.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.1 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | L1114 P1115 F1175 G1176 L1178 K1219 F1220 | L1114-C1117 WeakPolarHBondContact CB-SG 3.41Å; L1114-C1117 PolarHBondContact O-SG 2.89Å; P1115-C1117 VanDerWaalsContact C-N 3.31Å; P1115-C1117 PolarHBondContact O-N 2.76Å; C1117-F1175 HydrophobicContact CB-CB 3.96Å; C1117-F1175 WeakPolarHBondContact O-CA 3.13Å; C1117-F1175 WeakPolarHBondContact O-CB 3.5Å; C1117-F1175 PolarHBondContact O-N 3.11Å; C1117-G1176 WeakPolarHBondContact CB-O 3.09Å; C1117-G1176 PolarHBondContact N-O 2.86Å; C1117-G1176 PolarHBondContact O-N 2.99Å; C1117-L1178 HydrophobicContact CB-CB 4.47Å; C1117-L1178 HydrophobicContact CB-CD1 3.74Å; C1117-L1178 HydrophobicContact CB-CG 4.04Å; C1117-K1219 CarbonylContact C-O 3.43Å; C1117-K1219 VanDerWaalsContact CA-O 3.25Å; C1117-K1219 WeakPolarHBondContact CA-O 3.45Å; C1117-F1220 HydrophobicContact CB-CD1 3.97Å; C1117-F1220 HydrophobicContact CB-CD2 4.47Å; C1117-F1220 HydrophobicContact CB-CE1 4.18Å; C1117-F1220 HydrophobicContact CB-CG 4.11Å; C1117-F1220 HydrophobicContact CB-CZ 4.47Å; C1117-F1220 WeakPolarHBondContact SG-CD1 3.44Å |
| 1118 | S | 90.8 | Very high | 79 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151.6 | 178.5 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | V1173 K1219 | S1118-V1173 CarbonylContact C-O 3.37Å; S1118-V1173 VanDerWaalsContact CA-O 3.23Å; S1118-V1173 WeakPolarHBondContact CA-O 3.27Å; S1118-K1219 PolarHBondContact N-O 2.85Å; S1118-K1219 PolarHBondContact O-N 3.28Å |
| 1119 | V | 92.1 | Very high | 78 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.3 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | I1106 F1121 S1172 V1173 F1175 I1194 M1216 T1217 A1218 F1220 | I1106-V1119 HydrophobicContact CD1-CG2 3.5Å; V1119-F1121 HydrophobicContact CB-CE2 4.47Å; V1119-F1121 HydrophobicContact CG1-CD2 4.24Å; V1119-F1121 HydrophobicContact CG1-CE1 4Å; V1119-F1121 HydrophobicContact CG1-CE2 3.6Å; V1119-F1121 HydrophobicContact CG1-CZ 3.45Å; V1119-F1121 VanDerWaalsContact CG1-CZ 3.45Å; V1119-S1172 CarbonylContact O-C 3.57Å; V1119-S1172 WeakPolarHBondContact O-CA 3.38Å; V1119-V1173 PolarHBondContact N-O 2.96Å; V1119-V1173 PolarHBondContact O-N 2.8Å; V1119-F1175 HydrophobicContact CB-CE2 4.09Å; V1119-F1175 HydrophobicContact CG2-CD2 4.3Å; V1119-F1175 HydrophobicContact CG2-CE2 3.6Å; V1119-I1194 HydrophobicContact CG1-CD1 4.32Å; V1119-I1194 HydrophobicContact CG2-CD1 4.34Å; V1119-M1216 HydrophobicContact CG1-CG 3.45Å; V1119-M1216 VanDerWaalsContact CG1-CG 3.45Å; V1119-M1216 HydrophobicContact CG1-SD 3.9Å; V1119-T1217 WeakPolarHBondContact CA-O 3.38Å; V1119-A1218 HydrophobicContact CG2-CB 3.96Å; V1119-F1220 HydrophobicContact CG2-CE2 3.9Å; V1119-F1220 HydrophobicContact CG2-CZ 4.46Å |
| 1120 | V | 92.3 | Very high | 77.6 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.8 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | A1171 T1217 | V1120-A1171 CarbonylContact C-O 3.55Å; V1120-A1171 WeakPolarHBondContact CA-O 2.95Å; V1120-T1217 PolarHBondContact N-O 3.05Å; V1120-T1217 PolarHBondContact O-N 2.8Å |
| 1121 | F | 91.7 | Very high | 77.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 132.9 | 169.8 | -57.7 | -80.3 | 0 | 0 | 0 | 108.4 | F1104 V1119 I1136 V1139 T1170 A1171 I1194 V1196 L1214 V1215 M1216 | F1104-F1121 HydrophobicContact CD2-CD1 4.31Å; F1104-F1121 AromaticContact CD2-CE1 3.68Å; F1104-F1121 HydrophobicContact CD2-CE1 3.68Å; F1104-F1121 HydrophobicContact CE2-CD1 4.05Å; F1104-F1121 AromaticContact CE2-CE1 3.9Å; F1104-F1121 HydrophobicContact CE2-CE1 3.9Å; F1104-F1121 HydrophobicContact CG-CE1 4.12Å; F1104-F1121 HydrophobicContact CZ-CD1 4.44Å; V1119-F1121 HydrophobicContact CB-CE2 4.47Å; V1119-F1121 HydrophobicContact CG1-CD2 4.24Å; V1119-F1121 HydrophobicContact CG1-CE1 4Å; V1119-F1121 HydrophobicContact CG1-CE2 3.6Å; V1119-F1121 HydrophobicContact CG1-CZ 3.45Å; V1119-F1121 VanDerWaalsContact CG1-CZ 3.45Å; F1121-I1136 HydrophobicContact CB-CD1 3.86Å; F1121-V1139 HydrophobicContact CD2-CG2 4.48Å; F1121-V1139 HydrophobicContact CE2-CG1 3.98Å; F1121-T1170 WeakPolarHBondContact O-CA 3.23Å; F1121-A1171 HydrophobicContact CB-CB 4.48Å; F1121-A1171 HydrophobicContact CD2-CB 4.42Å; F1121-A1171 PolarHBondContact N-O 3.22Å; F1121-A1171 PolarHBondContact O-N 3.37Å; F1121-I1194 HydrophobicContact CE1-CG2 4.42Å; F1121-I1194 HydrophobicContact CE2-CG2 4.02Å; F1121-I1194 HydrophobicContact CZ-CB 4.09Å; F1121-I1194 HydrophobicContact CZ-CD1 3.89Å; F1121-I1194 HydrophobicContact CZ-CG2 3.51Å; F1121-V1196 HydrophobicContact CD1-CG2 3.68Å; F1121-V1196 HydrophobicContact CD2-CG2 4.24Å; F1121-V1196 HydrophobicContact CE1-CG2 3.54Å; F1121-V1196 HydrophobicContact CE2-CG2 4.13Å; F1121-V1196 HydrophobicContact CG-CG2 4.03Å; F1121-V1196 HydrophobicContact CZ-CG2 3.79Å; F1121-L1214 HydrophobicContact CB-CD1 4.5Å; F1121-V1215 CarbonylContact C-O 3.58Å; F1121-V1215 WeakPolarHBondContact CA-O 3.25Å; F1121-M1216 HydrophobicContact CD1-CB 3.89Å; F1121-M1216 HydrophobicContact CD1-CG 3.89Å; F1121-M1216 HydrophobicContact CE1-CB 3.84Å; F1121-M1216 HydrophobicContact CE1-CG 3.46Å; F1121-M1216 VanDerWaalsContact CE1-CG 3.46Å; F1121-M1216 HydrophobicContact CE1-SD 3.79Å; F1121-M1216 HydrophobicContact CZ-CG 4.12Å; F1121-M1216 HydrophobicContact CZ-SD 4.2Å |
| 1122 | S | 88.5 | Confident | 77.8 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.7 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | V1215 | S1122-V1215 PolarHBondContact N-O 3.04Å; S1122-V1215 PolarHBondContact O-N 3.11Å |
| 1123 | S | 84.4 | Confident | 78.2 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 155.6 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 112 | S1132 L1134 D1169 | S1123-S1132 PolarHBondContact OG-OG 3.37Å; S1123-L1134 WeakPolarHBondContact OG-CB 3.05Å; S1123-L1134 PolarHBondContact OG-N 2.81Å; S1123-D1169 PolarHBondContact N-O 2.85Å |
| 1124 | G | 73.1 | Confident | 78.4 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | trans | -57.1 | 147.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1133 K1213 | G1124-E1133 WeakPolarHBondContact O-CB 3.47Å; G1124-E1133 WeakPolarHBondContact O-CG 3.49Å; G1124-E1133 PolarHBondContact O-N 3.18Å; G1124-K1213 PolarHBondContact N-O 2.86Å | ||
| 1125 | Y | 67.8 | Low | 78.4 | Confident | 104 Ų | 104 | 42.4 Ų | 42.4 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153 | -177.5 | 64.6 | -93.5 | 0 | 0 | 0 | 111.1 | D1127 K1162 Y1163 | Y1125-D1127 VanDerWaalsContact CE2-CG 3.44Å; Y1125-D1127 WeakPolarHBondContact CE2-OD1 3.38Å; Y1125-D1127 WeakPolarHBondContact CE2-OD2 3.25Å; Y1125-K1162 VanDerWaalsContact CE1-NZ 3.32Å; Y1125-K1162 VanDerWaalsContact CZ-NZ 3.32Å; Y1125-Y1163 VanDerWaalsContact CD2-OH 3.26Å; Y1125-Y1163 WeakPolarHBondContact CD2-OH 3.45Å |
| 1126 | S | 62.6 | Low | 78.4 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | I1128 Y1129 N1130 E1131 | S1126-I1128 PolarHBondContact O-N 2.89Å; S1126-Y1129 PolarHBondContact O-N 2.82Å; S1126-Y1129 WeakPolarHBondContact OG-CD2 3.38Å; S1126-N1130 PolarHBondContact O-N 2.89Å; S1126-E1131 PolarHBondContact N-O 2.8Å; S1126-E1131 VanDerWaalsContact N-O 3.13Å |
| 1127 | D | 61.2 | Low | 78.4 | Confident | 109 Ų | 109 | 39.2 Ų | 39.2 | 58% | 0.583 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.3 | 172.9 | -78.9 | -34.4 | 0 | 0 | 0 | 112.6 | Y1125 Y1129 N1130 | Y1125-D1127 VanDerWaalsContact CE2-CG 3.44Å; Y1125-D1127 WeakPolarHBondContact CE2-OD1 3.38Å; Y1125-D1127 WeakPolarHBondContact CE2-OD2 3.25Å; D1127-Y1129 VanDerWaalsContact C-N 3.33Å; D1127-N1130 PolarHBondContact O-OD1 3.34Å |
| 1128 | I | 59.5 | Low | 78.3 | Confident | 141 Ų | 141 | 41.8 Ų | 41.8 | 72% | 0.723 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -34.8 | -178.6 | -59.3 | 174.4 | 0 | 0 | 0 | 110.8 | S1126 | S1126-I1128 PolarHBondContact O-N 2.89Š|
| 1129 | Y | 61.5 | Low | 78.2 | Confident | 101 Ų | 101 | 40.7 Ų | 40.7 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -10.7 | -172.5 | -56.7 | -57.5 | 0 | 0 | 0 | 114.2 | S1126 D1127 E1131 R1204 | S1126-Y1129 PolarHBondContact O-N 2.82Å; S1126-Y1129 WeakPolarHBondContact OG-CD2 3.38Å; D1127-Y1129 VanDerWaalsContact C-N 3.33Å; Y1129-E1131 VanDerWaalsContact C-N 3.28Å; Y1129-E1131 WeakPolarHBondContact O-CG 3.35Å; Y1129-E1131 PolarHBondContact O-N 2.69Å; Y1129-R1204 HydrophobicContact CD2-CB 3.84Å; Y1129-R1204 HydrophobicContact CE2-CB 3.91Å; Y1129-R1204 HydrophobicContact CG-CB 4.23Å |
| 1130 | N | 66.1 | Low | 77.9 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46.5 | -171.6 | -71.8 | -14.7 | 0 | 0 | 0 | 112.2 | S1126 D1127 Y1163 | S1126-N1130 PolarHBondContact O-N 2.89Å; D1127-N1130 PolarHBondContact O-OD1 3.34Å; N1130-Y1163 HydrophobicContact CB-CD1 3.66Å; N1130-Y1163 HydrophobicContact CB-CE1 3.79Å; N1130-Y1163 HydrophobicContact CB-CG 4.35Å; N1130-Y1163 WeakPolarHBondContact OD1-CE1 3.28Å |
| 1131 | E | 69 | Low | 77.5 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.2 | -179.4 | -63.4 | -173.1 | 150.1 | 0 | 0 | 111 | S1126 Y1129 S1203 R1204 R1331 | S1126-E1131 PolarHBondContact N-O 2.8Å; S1126-E1131 VanDerWaalsContact N-O 3.13Å; Y1129-E1131 VanDerWaalsContact C-N 3.28Å; Y1129-E1131 WeakPolarHBondContact O-CG 3.35Å; Y1129-E1131 PolarHBondContact O-N 2.69Å; E1131-S1203 VanDerWaalsContact CB-OG 3.28Å; E1131-S1203 WeakPolarHBondContact CB-OG 3.23Å; E1131-S1203 VanDerWaalsContact OE2-CA 3.28Å; E1131-S1203 WeakPolarHBondContact OE2-CA 3.4Å; E1131-S1203 WeakPolarHBondContact OE2-CB 3.5Å; E1131-S1203 PolarHBondContact OE2-OG 3.21Å; E1131-R1204 PolarHBondContact OE2-N 3.29Å; E1131-R1331 IonicContact OE1-CZ 3.19Å; E1131-R1331 IonicContact OE1-NH1 3.81Å; E1131-R1331 PolarHBondContact OE1-NH1 3.3Å; E1131-R1331 IonicContact OE1-NH2 3.97Å; E1131-R1331 PolarHBondContact OE1-NH2 2.82Å |
| 1132 | S | 78 | Confident | 76.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 146 | 172.4 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | S1123 L1134 D1169 S1201 S1203 | S1123-S1132 PolarHBondContact OG-OG 3.37Å; S1132-L1134 PolarHBondContact OG-N 3.47Å; S1132-L1134 PolarHBondContact OG-O 2.88Å; S1132-D1169 WeakPolarHBondContact OG-CB 3.48Å; S1132-S1201 WeakPolarHBondContact O-CB 3.16Å; S1132-S1201 PolarHBondContact O-OG 3.32Å; S1132-S1203 WeakPolarHBondContact O-CB 3.28Å |
| 1133 | E | 81.8 | Confident | 76.1 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -74.2 | -30.7 | 172.5 | -67.4 | 174.9 | -172.6 | 0 | 0 | 113 | G1124 S1201 V1205 V1206 V1212 K1213 | G1124-E1133 WeakPolarHBondContact O-CB 3.47Å; G1124-E1133 WeakPolarHBondContact O-CG 3.49Å; G1124-E1133 PolarHBondContact O-N 3.18Å; E1133-S1201 WeakPolarHBondContact O-CB 3.4Å; E1133-S1201 PolarHBondContact O-N 2.77Å; E1133-V1205 HydrophobicContact CG-CG2 4.09Å; E1133-V1206 HydrophobicContact CB-CG2 4.39Å; E1133-V1206 HydrophobicContact CG-CG2 4.44Å; E1133-V1212 HydrophobicContact CB-CB 4.13Å; E1133-V1212 HydrophobicContact CB-CG1 3.88Å; E1133-V1212 HydrophobicContact CG-CG1 4.26Å; E1133-V1212 WeakPolarHBondContact OE2-CA 3.44Å; E1133-K1213 PolarHBondContact OE2-N 2.79Å |
| 1134 | L | 84.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.3 | -176.6 | -58.9 | 164.1 | 0 | 0 | 0 | 111 | F1102 S1123 S1132 R1199 I1200 V1212 L1214 | F1102-L1134 HydrophobicContact CE2-CD1 4.18Å; F1102-L1134 HydrophobicContact CZ-CD1 4.33Å; S1123-L1134 WeakPolarHBondContact OG-CB 3.05Å; S1123-L1134 PolarHBondContact OG-N 2.81Å; S1132-L1134 PolarHBondContact OG-N 3.47Å; S1132-L1134 PolarHBondContact OG-O 2.88Å; L1134-R1199 WeakPolarHBondContact CA-O 3.28Å; L1134-I1200 HydrophobicContact CD2-CG1 3.97Å; L1134-V1212 HydrophobicContact CD1-CG2 4.44Å; L1134-V1212 HydrophobicContact CD2-CB 4.44Å; L1134-V1212 HydrophobicContact CD2-CG2 3.83Å; L1134-V1212 HydrophobicContact CG-CB 4.42Å; L1134-V1212 HydrophobicContact CG-CG2 4.29Å; L1134-L1214 HydrophobicContact CD1-CB 4.04Å; L1134-L1214 HydrophobicContact CD1-CD1 4.45Å |
| 1135 | T | 84.2 | Confident | 74.6 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.8 | 169.4 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | L1137 A1198 R1199 S1201 | T1135-L1137 HydrophobicContact CG2-CD2 4.48Å; T1135-A1198 CarbonylContact O-C 3.54Å; T1135-A1198 VanDerWaalsContact O-CA 3.28Å; T1135-A1198 WeakPolarHBondContact O-CA 3.44Å; T1135-R1199 PolarHBondContact N-O 3.35Å; T1135-R1199 PolarHBondContact O-N 3.09Å; T1135-S1201 PolarHBondContact OG1-OG 2.84Å |
| 1136 | I | 86.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.9 | -179.7 | -54.6 | 173 | 0 | 0 | 0 | 109 | F1121 V1139 Y1159 N1168 A1171 V1196 L1214 | F1121-I1136 HydrophobicContact CB-CD1 3.86Å; I1136-V1139 HydrophobicContact CG2-CG2 3.99Å; I1136-Y1159 HydrophobicContact CG2-CD1 4.43Å; I1136-Y1159 HydrophobicContact CG2-CE1 3.98Å; I1136-N1168 WeakPolarHBondContact CB-O 3.21Å; I1136-N1168 PolarHBondContact N-O 2.85Å; I1136-A1171 HydrophobicContact CB-CB 4.44Å; I1136-A1171 HydrophobicContact CD1-CB 3.76Å; I1136-A1171 HydrophobicContact CG2-CB 3.98Å; I1136-V1196 HydrophobicContact CG1-CG1 4.48Å; I1136-V1196 HydrophobicContact CG2-CG1 3.69Å; I1136-L1214 HydrophobicContact CD1-CD1 4.33Å |
| 1137 | L | 83.5 | Confident | 74.1 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -45.4 | -175.9 | -59.2 | -179.1 | 0 | 0 | 0 | 112.4 | T1099 T1135 H1197 R1199 D1333 | T1099-L1137 HydrophobicContact CG2-CD1 3.75Å; T1135-L1137 HydrophobicContact CG2-CD2 4.48Å; L1137-H1197 PolarHBondContact N-O 2.88Å; L1137-R1199 HydrophobicContact CD1-CB 4.14Å; L1137-R1199 HydrophobicContact CG-CB 4.39Å; L1137-D1333 WeakPolarHBondContact CD2-OD2 3.49Å |
| 1138 | D | 86.1 | Confident | 74.1 | Confident | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.1 | -174.4 | -175.8 | 27 | 0 | 0 | 0 | 110 | R1140 H1197 | D1138-R1140 VanDerWaalsContact OD2-CG 3.28Å; D1138-R1140 WeakPolarHBondContact OD2-CG 3.48Å; D1138-R1140 IonicContact OD2-CZ 3.79Å; D1138-R1140 IonicContact OD2-NE 3.44Å; D1138-R1140 PolarHBondContact OD2-NE 3.02Å; D1138-R1140 IonicContact OD2-NH2 3.81Å; D1138-H1197 HydrophobicContact CB-CB 4.14Å; D1138-H1197 PolarHBondContact N-O 3.18Å; D1138-H1197 PolarHBondContact O-N 3.48Å |
| 1139 | V | 87.4 | Confident | 74 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 108.4 | 175 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | F1121 I1136 I1141 V1157 Y1159 A1171 V1173 I1194 V1196 | F1121-V1139 HydrophobicContact CD2-CG2 4.48Å; F1121-V1139 HydrophobicContact CE2-CG1 3.98Å; I1136-V1139 HydrophobicContact CG2-CG2 3.99Å; V1139-I1141 HydrophobicContact CG1-CG1 4.27Å; V1139-V1157 HydrophobicContact CB-CG1 4.17Å; V1139-V1157 HydrophobicContact CB-CG2 4.12Å; V1139-V1157 HydrophobicContact CG2-CG1 4.06Å; V1139-Y1159 HydrophobicContact CG2-CE1 4.32Å; V1139-Y1159 PolarHBondContact N-OH 2.84Å; V1139-A1171 HydrophobicContact CG2-CB 4.02Å; V1139-V1173 HydrophobicContact CG1-CG2 4.2Å; V1139-I1194 HydrophobicContact CG1-CG2 3.53Å; V1139-V1196 HydrophobicContact CG2-CG1 4.37Å; V1139-V1196 HydrophobicContact CG2-CG2 4.46Å |
| 1140 | R | 85.6 | Confident | 73.7 | Confident | 142 Ų | 142 | 41.1 Ų | 41.1 | 54% | 0.536 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.5 | 178.2 | -60.8 | -176 | -174.6 | 179.7 | 2.9 | 110.3 | D1138 I1194 N1195 | D1138-R1140 VanDerWaalsContact OD2-CG 3.28Å; D1138-R1140 WeakPolarHBondContact OD2-CG 3.48Å; D1138-R1140 IonicContact OD2-CZ 3.79Å; D1138-R1140 IonicContact OD2-NE 3.44Å; D1138-R1140 PolarHBondContact OD2-NE 3.02Å; D1138-R1140 IonicContact OD2-NH2 3.81Å; R1140-I1194 WeakPolarHBondContact O-CA 3.17Å; R1140-N1195 HydrophobicContact CB-CB 4.34Å; R1140-N1195 PolarHBondContact N-O 3.31Å; R1140-N1195 PolarHBondContact O-N 3Å |
| 1141 | I | 83.6 | Confident | 73.2 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 14% | 0.138 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.4 | -174.9 | -51.5 | 173.6 | 0 | 0 | 0 | 108.8 | V1139 F1143 V1173 F1175 I1192 I1194 | V1139-I1141 HydrophobicContact CG1-CG1 4.27Å; I1141-F1143 HydrophobicContact CB-CE2 4.42Å; I1141-F1143 HydrophobicContact CG2-CD2 4.1Å; I1141-F1143 HydrophobicContact CG2-CE1 4.26Å; I1141-F1143 HydrophobicContact CG2-CE2 3.61Å; I1141-F1143 HydrophobicContact CG2-CZ 3.72Å; I1141-V1173 HydrophobicContact CD1-CB 4.35Å; I1141-V1173 HydrophobicContact CD1-CG1 3.57Å; I1141-V1173 HydrophobicContact CD1-CG2 4.09Å; I1141-F1175 HydrophobicContact CD1-CE1 3.76Å; I1141-F1175 HydrophobicContact CD1-CZ 3.96Å; I1141-F1175 HydrophobicContact CG2-CE1 4.11Å; I1141-F1175 HydrophobicContact CG2-CZ 4.34Å; I1141-I1192 HydrophobicContact CG2-CG2 3.96Å; I1141-I1194 HydrophobicContact CG1-CG2 4.29Å; I1141-I1194 HydrophobicContact CG2-CG1 4.45Å |
| 1142 | E | 79 | Confident | 72.6 | Confident | 95 Ų | 95 | 45.1 Ų | 45.1 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113 | 173.5 | -70.1 | 179.4 | 170.1 | 0 | 0 | 108.6 | K1193 | E1142-K1193 HydrophobicContact CB-CB 4.25Å; E1142-K1193 PolarHBondContact N-O 2.94Å; E1142-K1193 PolarHBondContact O-N 3.04Å; E1142-K1193 WeakPolarHBondContact OE2-CD 3.45Å; E1142-K1193 IonicContact OE2-NZ 2.61Å; E1142-K1193 PolarHBondContact OE2-NZ 3.01Å |
| 1143 | F | 72 | Confident | 71.8 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.9 | 175.3 | -72.7 | -76.7 | 0 | 0 | 0 | 109.8 | I1141 F1147 Q1151 F1155 F1175 I1192 | I1141-F1143 HydrophobicContact CB-CE2 4.42Å; I1141-F1143 HydrophobicContact CG2-CD2 4.1Å; I1141-F1143 HydrophobicContact CG2-CE1 4.26Å; I1141-F1143 HydrophobicContact CG2-CE2 3.61Å; I1141-F1143 HydrophobicContact CG2-CZ 3.72Å; F1143-F1147 HydrophobicContact CB-CB 3.76Å; F1143-F1147 VanDerWaalsContact CB-O 3.31Å; F1143-F1147 WeakPolarHBondContact CB-O 3.43Å; F1143-F1147 HydrophobicContact CD1-CB 3.48Å; F1143-F1147 VanDerWaalsContact CD1-CB 3.48Å; F1143-F1147 HydrophobicContact CD1-CG 4.27Å; F1143-F1147 HydrophobicContact CE1-CB 4.43Å; F1143-F1147 HydrophobicContact CG-CB 3.93Å; F1143-Q1151 HydrophobicContact CD2-CB 3.92Å; F1143-Q1151 HydrophobicContact CD2-CG 4.18Å; F1143-F1155 AromaticContact CE2-CD2 3.82Å; F1143-F1155 HydrophobicContact CE2-CD2 3.82Å; F1143-F1155 AromaticContact CE2-CE2 3.42Å; F1143-F1155 HydrophobicContact CE2-CE2 3.42Å; F1143-F1155 VanDerWaalsContact CE2-CE2 3.42Å; F1143-F1155 HydrophobicContact CE2-CZ 4.48Å; F1143-F1155 AromaticContact CZ-CD2 3.88Å; F1143-F1155 HydrophobicContact CZ-CD2 3.88Å; F1143-F1155 AromaticContact CZ-CE2 3.36Å; F1143-F1155 HydrophobicContact CZ-CE2 3.36Å; F1143-F1155 HydrophobicContact CZ-CZ 4.08Å; F1143-F1175 HydrophobicContact CE1-CD1 4.32Å; F1143-F1175 HydrophobicContact CE1-CE1 4.14Å; F1143-F1175 AromaticContact CZ-CD1 3.93Å; F1143-F1175 HydrophobicContact CZ-CD1 3.93Å; F1143-F1175 AromaticContact CZ-CE1 3.68Å; F1143-F1175 HydrophobicContact CZ-CE1 3.68Å; F1143-I1192 HydrophobicContact CD1-CG1 4.17Å; F1143-I1192 HydrophobicContact CD1-CG2 4.3Å; F1143-I1192 HydrophobicContact CE1-CD1 4.24Å; F1143-I1192 HydrophobicContact CE1-CG1 4.36Å; F1143-I1192 HydrophobicContact CE1-CG2 4.24Å |
| 1144 | G | 64.8 | Low | 70.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | trans | -56.1 | 162.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1146 F1147 R1148 I1191 | G1144-L1146 PolarHBondContact O-N 3.01Å; G1144-F1147 PolarHBondContact O-N 2.93Å; G1144-R1148 PolarHBondContact O-N 3.24Å; G1144-I1191 WeakPolarHBondContact CA-O 3.09Å; G1144-I1191 PolarHBondContact N-O 3.17Å | ||
| 1145 | N | 61.2 | Low | 70.1 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -49.8 | -32.5 | -173 | -77.8 | -22.3 | 0 | 0 | 0 | 114.4 | F1147 R1148 F1188 | N1145-F1147 PolarHBondContact O-N 3.38Å; N1145-R1148 WeakPolarHBondContact O-CB 3.45Å; N1145-F1188 HydrophobicContact CB-CB 4.14Å; N1145-F1188 HydrophobicContact CB-CD1 3.23Å; N1145-F1188 HydrophobicContact CB-CE1 3.86Å; N1145-F1188 HydrophobicContact CB-CG 4.01Å; N1145-F1188 WeakPolarHBondContact ND2-CD1 3.38Å |
| 1146 | L | 58 | Low | 69.4 | Low | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -64.7 | -35.4 | 177.4 | -157.5 | 89.8 | 0 | 0 | 0 | 113.4 | G1144 N1180 | G1144-L1146 PolarHBondContact O-N 3.01Å; L1146-N1180 WeakPolarHBondContact CD2-OD1 3.43Å |
| 1147 | F | 63.6 | Low | 69.1 | Low | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -105.1 | 14.4 | -176.8 | -56.6 | -65.3 | 0 | 0 | 0 | 112.4 | V1108 F1143 G1144 N1145 T1149 S1150 N1180 I1192 | V1108-F1147 HydrophobicContact CB-CE2 4.4Å; V1108-F1147 HydrophobicContact CB-CZ 4.13Å; V1108-F1147 HydrophobicContact CG1-CZ 4.4Å; V1108-F1147 HydrophobicContact CG2-CE2 4.08Å; V1108-F1147 HydrophobicContact CG2-CZ 4.06Å; F1143-F1147 HydrophobicContact CB-CB 3.76Å; F1143-F1147 VanDerWaalsContact CB-O 3.31Å; F1143-F1147 WeakPolarHBondContact CB-O 3.43Å; F1143-F1147 HydrophobicContact CD1-CB 3.48Å; F1143-F1147 VanDerWaalsContact CD1-CB 3.48Å; F1143-F1147 HydrophobicContact CD1-CG 4.27Å; F1143-F1147 HydrophobicContact CE1-CB 4.43Å; F1143-F1147 HydrophobicContact CG-CB 3.93Å; G1144-F1147 PolarHBondContact O-N 2.93Å; N1145-F1147 PolarHBondContact O-N 3.38Å; F1147-T1149 PolarHBondContact O-N 3.17Å; F1147-T1149 VanDerWaalsContact O-N 3.17Å; F1147-S1150 WeakPolarHBondContact O-CB 3.2Å; F1147-S1150 PolarHBondContact O-N 3.49Å; F1147-S1150 PolarHBondContact O-OG 2.85Å; F1147-N1180 HydrophobicContact CE1-CB 4.47Å; F1147-N1180 HydrophobicContact CZ-CB 4.07Å; F1147-I1192 HydrophobicContact CD2-CG1 4.13Å; F1147-I1192 HydrophobicContact CE2-CG1 4.31Å |
| 1148 | R | 59.7 | Low | 69 | Low | 160 Ų | 160 | 61.8 Ų | 61.8 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.8 | -173.7 | -157 | 176.1 | -172.2 | 175 | 1.7 | 113.2 | G1144 N1145 S1150 Q1151 | G1144-R1148 PolarHBondContact O-N 3.24Å; N1145-R1148 WeakPolarHBondContact O-CB 3.45Å; R1148-S1150 VanDerWaalsContact C-N 3.35Å; R1148-Q1151 WeakPolarHBondContact O-CB 3.37Å; R1148-Q1151 PolarHBondContact O-N 2.98Å |
| 1149 | T | 57.6 | Low | 68.8 | Low | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -41.7 | 170.7 | 43.3 | 0 | 0 | 0 | 0 | 111.9 | D959 I961 F1147 Q1151 R1152 | D959-T1149 HydrophobicContact CB-CG2 3.95Å; D959-T1149 WeakPolarHBondContact OD2-CA 3.44Å; D959-T1149 WeakPolarHBondContact OD2-CB 3.41Å; D959-T1149 WeakPolarHBondContact OD2-CG2 3.47Å; I961-T1149 HydrophobicContact CG1-CG2 4.32Å; F1147-T1149 PolarHBondContact O-N 3.17Å; F1147-T1149 VanDerWaalsContact O-N 3.17Å; T1149-Q1151 PolarHBondContact O-N 2.94Å; T1149-R1152 PolarHBondContact O-N 3.27Å |
| 1150 | S | 54.6 | Low | 68.5 | Low | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -58.9 | -30 | 178 | -51.5 | 0 | 0 | 0 | 0 | 112.8 | R1019 F1147 R1148 R1152 E1153 F1155 | R1019-S1150 PolarHBondContact NH1-OG 2.61Å; F1147-S1150 WeakPolarHBondContact O-CB 3.2Å; F1147-S1150 PolarHBondContact O-N 3.49Å; F1147-S1150 PolarHBondContact O-OG 2.85Å; R1148-S1150 VanDerWaalsContact C-N 3.35Å; S1150-R1152 PolarHBondContact O-N 2.82Å; S1150-E1153 WeakPolarHBondContact O-CB 3.31Å; S1150-E1153 PolarHBondContact O-N 2.86Å; S1150-F1155 WeakPolarHBondContact O-CE2 3.19Å |
| 1151 | Q | 57.2 | Low | 67.8 | Low | 101 Ų | 101 | 61.1 Ų | 61.1 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.8 | -15.5 | -178.4 | -154.8 | 173.6 | 15.3 | 0 | 0 | 114.2 | F1143 R1148 T1149 | F1143-Q1151 HydrophobicContact CD2-CB 3.92Å; F1143-Q1151 HydrophobicContact CD2-CG 4.18Å; R1148-Q1151 WeakPolarHBondContact O-CB 3.37Å; R1148-Q1151 PolarHBondContact O-N 2.98Å; T1149-Q1151 PolarHBondContact O-N 2.94Å |
| 1152 | R | 56.8 | Low | 67 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -82 | -27.4 | 174.9 | -69.1 | 177.6 | 167.3 | -161.8 | -11.1 | 113.7 | D994 W1021 T1149 S1150 K1154 | D994-R1152 IonicContact OD1-CZ 3.01Å; D994-R1152 IonicContact OD1-NH1 3.62Å; D994-R1152 PolarHBondContact OD1-NH1 3.37Å; D994-R1152 IonicContact OD2-NH1 2.8Å; W1021-R1152 HydrophobicContact CH2-CB 4.23Å; W1021-R1152 HydrophobicContact CZ2-CB 3.94Å; T1149-R1152 PolarHBondContact O-N 3.27Å; S1150-R1152 PolarHBondContact O-N 2.82Å; R1152-K1154 PolarHBondContact O-N 2.85Å; R1152-K1154 VanDerWaalsContact O-N 3.15Å |
| 1153 | E | 60.2 | Low | 66.1 | Low | 7 Ų | 7 | 62.7 Ų | 62.7 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -69.7 | 109.1 | 167.9 | -67.6 | 174.6 | -140.7 | 0 | 0 | 106 | R1019 W1021 I1022 S1150 F1155 | R1019-E1153 IonicContact CZ-OE1 3.74Å; R1019-E1153 IonicContact NH1-OE1 2.69Å; R1019-E1153 PolarHBondContact NH1-OE1 2.93Å; R1019-E1153 IonicContact NH2-OE1 3.68Å; W1021-E1153 WeakPolarHBondContact CA-OE1 3.41Å; W1021-E1153 HydrophobicContact CB-CG 4.15Å; W1021-E1153 HydrophobicContact CD2-CG 4.01Å; W1021-E1153 HydrophobicContact CE3-CG 4.28Å; W1021-E1153 HydrophobicContact CG-CG 3.97Å; I1022-E1153 VanDerWaalsContact CB-OE2 3.27Å; I1022-E1153 WeakPolarHBondContact CB-OE2 3.4Å; I1022-E1153 WeakPolarHBondContact CG1-OE2 3.34Å; I1022-E1153 PolarHBondContact N-OE1 3.17Å; I1022-E1153 PolarHBondContact N-OE2 2.92Å; S1150-E1153 WeakPolarHBondContact O-CB 3.31Å; S1150-E1153 PolarHBondContact O-N 2.86Å; E1153-F1155 VanDerWaalsContact C-N 3.29Å; E1153-F1155 HydrophobicContact CB-CE1 4.25Å; E1153-F1155 HydrophobicContact CB-CE2 4.19Å; E1153-F1155 HydrophobicContact CB-CZ 3.92Å; E1153-F1155 WeakPolarHBondContact O-CD2 3.46Å; E1153-F1155 WeakPolarHBondContact O-CE2 3.43Å; E1153-F1155 PolarHBondContact O-N 2.91Å |
| 1154 | K | 60.4 | Low | 65.2 | Low | 191 Ų | 191 | 70.4 Ų | 70.4 | 83% | 0.83 | 33% | 0.327 | S | S | * | . | trans | -64.7 | 96.1 | 172.1 | -73.1 | -173.4 | 179.1 | -178.3 | 0 | 107.6 | R1152 K1156 | R1152-K1154 PolarHBondContact O-N 2.85Å; R1152-K1154 VanDerWaalsContact O-N 3.15Å; K1154-K1156 PolarHBondContact O-N 2.86Å | ||
| 1155 | F | 69.3 | Low | 64.7 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 117.6 | 173.8 | -63.5 | -74.5 | 0 | 0 | 0 | 108.4 | F1143 S1150 E1153 V1157 V1173 F1175 | F1143-F1155 AromaticContact CE2-CD2 3.82Å; F1143-F1155 HydrophobicContact CE2-CD2 3.82Å; F1143-F1155 AromaticContact CE2-CE2 3.42Å; F1143-F1155 HydrophobicContact CE2-CE2 3.42Å; F1143-F1155 VanDerWaalsContact CE2-CE2 3.42Å; F1143-F1155 HydrophobicContact CE2-CZ 4.48Å; F1143-F1155 AromaticContact CZ-CD2 3.88Å; F1143-F1155 HydrophobicContact CZ-CD2 3.88Å; F1143-F1155 AromaticContact CZ-CE2 3.36Å; F1143-F1155 HydrophobicContact CZ-CE2 3.36Å; F1143-F1155 HydrophobicContact CZ-CZ 4.08Å; S1150-F1155 WeakPolarHBondContact O-CE2 3.19Å; E1153-F1155 VanDerWaalsContact C-N 3.29Å; E1153-F1155 HydrophobicContact CB-CE1 4.25Å; E1153-F1155 HydrophobicContact CB-CE2 4.19Å; E1153-F1155 HydrophobicContact CB-CZ 3.92Å; E1153-F1155 WeakPolarHBondContact O-CD2 3.46Å; E1153-F1155 WeakPolarHBondContact O-CE2 3.43Å; E1153-F1155 PolarHBondContact O-N 2.91Å; F1155-V1157 PolarHBondContact O-N 2.92Å; F1155-V1173 HydrophobicContact CB-CG1 4.08Å; F1155-F1175 HydrophobicContact CD1-CD1 4.23Å; F1155-F1175 HydrophobicContact CE1-CD1 4.27Å; F1155-F1175 HydrophobicContact CG-CD1 4.38Å; F1155-F1175 HydrophobicContact CZ-CD1 4.43Å |
| 1156 | K | 70.2 | Confident | 64.5 | Low | 111 Ų | 111 | 70.1 Ų | 70.1 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 122.8 | 175.6 | -175 | -172.9 | 172.2 | -150.6 | 0 | 108.4 | K1154 E1158 | K1154-K1156 PolarHBondContact O-N 2.86Å; K1156-E1158 HydrophobicContact CD-CG 4.34Å; K1156-E1158 HydrophobicContact CG-CG 4.45Å; K1156-E1158 IonicContact NZ-OE1 3.36Å; K1156-E1158 PolarHBondContact NZ-OE1 2.95Å |
| 1157 | V | 80.7 | Confident | 65 | Low | 26 Ų | 26 | 69.2 Ų | 69.2 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.5 | 169.7 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | V1139 F1155 Y1159 A1171 V1173 | V1139-V1157 HydrophobicContact CB-CG1 4.17Å; V1139-V1157 HydrophobicContact CB-CG2 4.12Å; V1139-V1157 HydrophobicContact CG2-CG1 4.06Å; F1155-V1157 PolarHBondContact O-N 2.92Å; V1157-Y1159 HydrophobicContact CB-CD2 4.42Å; V1157-Y1159 HydrophobicContact CB-CE2 3.7Å; V1157-Y1159 HydrophobicContact CG1-CD1 4.3Å; V1157-Y1159 HydrophobicContact CG1-CD2 4.17Å; V1157-Y1159 HydrophobicContact CG1-CE1 3.78Å; V1157-Y1159 HydrophobicContact CG1-CE2 3.63Å; V1157-Y1159 HydrophobicContact CG1-CG 4.47Å; V1157-Y1159 VanDerWaalsContact CG1-CZ 3.41Å; V1157-A1171 HydrophobicContact CG1-CB 4.11Å; V1157-V1173 HydrophobicContact CG1-CG2 4.17Å; V1157-V1173 HydrophobicContact CG2-CG2 4.1Å |
| 1158 | E | 81.3 | Confident | 65.7 | Low | 93 Ų | 93 | 71.7 Ų | 71.7 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 106.2 | 174.3 | -67.3 | -165.9 | 158.4 | 0 | 0 | 108.9 | K1156 S1172 | K1156-E1158 HydrophobicContact CD-CG 4.34Å; K1156-E1158 HydrophobicContact CG-CG 4.45Å; K1156-E1158 IonicContact NZ-OE1 3.36Å; K1156-E1158 PolarHBondContact NZ-OE1 2.95Å; E1158-S1172 PolarHBondContact N-O 2.81Å; E1158-S1172 PolarHBondContact O-N 2.88Å; E1158-S1172 PolarHBondContact O-OG 3.02Å |
| 1159 | Y | 82.6 | Confident | 66.7 | Low | 75 Ų | 75 | 64.3 Ų | 64.3 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.9 | 174.7 | -58.3 | -87.2 | 0 | 0 | 0 | 109.5 | I1136 V1139 V1157 N1168 T1170 A1171 | I1136-Y1159 HydrophobicContact CG2-CD1 4.43Å; I1136-Y1159 HydrophobicContact CG2-CE1 3.98Å; V1139-Y1159 HydrophobicContact CG2-CE1 4.32Å; V1139-Y1159 PolarHBondContact N-OH 2.84Å; V1157-Y1159 HydrophobicContact CB-CD2 4.42Å; V1157-Y1159 HydrophobicContact CB-CE2 3.7Å; V1157-Y1159 HydrophobicContact CG1-CD1 4.3Å; V1157-Y1159 HydrophobicContact CG1-CD2 4.17Å; V1157-Y1159 HydrophobicContact CG1-CE1 3.78Å; V1157-Y1159 HydrophobicContact CG1-CE2 3.63Å; V1157-Y1159 HydrophobicContact CG1-CG 4.47Å; V1157-Y1159 VanDerWaalsContact CG1-CZ 3.41Å; Y1159-N1168 WeakPolarHBondContact CB-ND2 3.38Å; Y1159-N1168 HydrophobicContact CD1-CB 4.23Å; Y1159-T1170 WeakPolarHBondContact CA-O 3.45Å; Y1159-A1171 HydrophobicContact CD1-CB 3.79Å; Y1159-A1171 HydrophobicContact CE1-CB 3.94Å |
| 1160 | T | 79.9 | Confident | 68.1 | Low | 73 Ų | 73 | 65 Ų | 65 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 161.6 | 177.1 | 49.3 | 0 | 0 | 0 | 0 | 110 | N1168 D1169 T1170 | T1160-N1168 WeakPolarHBondContact O-CA 3.43Å; T1160-D1169 PolarHBondContact O-N 3.18Å; T1160-T1170 VanDerWaalsContact C-OG1 3.22Å; T1160-T1170 PolarHBondContact N-O 3.04Å; T1160-T1170 PolarHBondContact O-N 2.99Å; T1160-T1170 VanDerWaalsContact O-O 3.08Å; T1160-T1170 PolarHBondContact O-OG1 2.68Å; T1160-T1170 WeakPolarHBondContact OG1-CB 3.28Å; T1160-T1170 PolarHBondContact OG1-OG1 2.88Å |
| 1161 | S | 71.9 | Confident | 69.8 | Low | 42 Ų | 42 | 64.9 Ų | 64.9 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | trans | -123.4 | 130.2 | 171.3 | -166.6 | 0 | 0 | 0 | 0 | 108.6 | Y1163 Q1167 D1169 | S1161-Y1163 WeakPolarHBondContact CB-O 3.47Å; S1161-Y1163 PolarHBondContact O-N 3.34Å; S1161-Y1163 PolarHBondContact OG-O 3.21Å; S1161-Q1167 WeakPolarHBondContact CB-O 3.42Å; S1161-Q1167 PolarHBondContact OG-O 3.41Å; S1161-D1169 VanDerWaalsContact CA-OD1 3.28Å; S1161-D1169 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 1162 | K | 66.2 | Low | 71.3 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -70.9 | -20 | 173.8 | -158.4 | -179.6 | 179.9 | -170.1 | 0 | 111.9 | Y1125 D1169 | Y1125-K1162 VanDerWaalsContact CE1-NZ 3.32Å; Y1125-K1162 VanDerWaalsContact CZ-NZ 3.32Å; K1162-D1169 VanDerWaalsContact CB-OD2 3.23Å; K1162-D1169 WeakPolarHBondContact CB-OD2 3.38Å; K1162-D1169 PolarHBondContact N-OD1 2.89Å; K1162-D1169 PolarHBondContact N-OD2 2.82Å; K1162-D1169 VanDerWaalsContact N-OD2 3.11Å |
| 1163 | Y | 60.7 | Low | 72.8 | Confident | 36 Ų | 36 | 58 Ų | 58 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -118.4 | 153 | -179.4 | -59.4 | -76.2 | 0 | 0 | 0 | 111.5 | Y1125 N1130 S1161 N1165 | Y1125-Y1163 VanDerWaalsContact CD2-OH 3.26Å; Y1125-Y1163 WeakPolarHBondContact CD2-OH 3.45Å; N1130-Y1163 HydrophobicContact CB-CD1 3.66Å; N1130-Y1163 HydrophobicContact CB-CE1 3.79Å; N1130-Y1163 HydrophobicContact CB-CG 4.35Å; N1130-Y1163 WeakPolarHBondContact OD1-CE1 3.28Å; S1161-Y1163 WeakPolarHBondContact CB-O 3.47Å; S1161-Y1163 PolarHBondContact O-N 3.34Å; S1161-Y1163 PolarHBondContact OG-O 3.21Å; Y1163-N1165 PolarHBondContact O-N 3.15Å |
| 1164 | F | 52.6 | Low | 73.9 | Confident | 178 Ų | 178 | 60.6 Ų | 60.6 | 78% | 0.781 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 3.4 | -173.7 | -122.2 | -88.4 | 0 | 0 | 0 | 115.6 | S1308 | F1164-S1308 PolarHBondContact O-OG 2.91Š|
| 1165 | N | 53.7 | Low | 74.9 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.2 | -160.8 | -65.2 | -17.3 | 0 | 0 | 0 | 115.1 | Y1163 Q1167 | Y1163-N1165 PolarHBondContact O-N 3.15Å; N1165-Q1167 VanDerWaalsContact C-N 3.34Å; N1165-Q1167 PolarHBondContact O-N 3.25Å |
| 1166 | G | 57.8 | Low | 75.4 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | 77.8 | 4.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1167 | Q | 68.4 | Low | 76 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | trans | -80.8 | 117.4 | 170.3 | -74.1 | 179.4 | -26.6 | 0 | 0 | 109.4 | S1161 N1165 D1169 E1281 R1331 | S1161-Q1167 WeakPolarHBondContact CB-O 3.42Å; S1161-Q1167 PolarHBondContact OG-O 3.41Å; N1165-Q1167 VanDerWaalsContact C-N 3.34Å; N1165-Q1167 PolarHBondContact O-N 3.25Å; Q1167-D1169 PolarHBondContact O-N 2.85Å; Q1167-E1281 PolarHBondContact NE2-OE1 2.83Å; Q1167-E1281 PolarHBondContact NE2-OE2 2.91Å; Q1167-R1331 HydrophobicContact CG-CB 4.27Å; Q1167-R1331 HydrophobicContact CG-CG 4.17Å | ||
| 1168 | N | 77.3 | Confident | 76 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | trans | -68.5 | 78.2 | 174.7 | -67.4 | -21.3 | 0 | 0 | 0 | 110.4 | I1136 Y1159 T1160 | I1136-N1168 WeakPolarHBondContact CB-O 3.21Å; I1136-N1168 PolarHBondContact N-O 2.85Å; Y1159-N1168 WeakPolarHBondContact CB-ND2 3.38Å; Y1159-N1168 HydrophobicContact CD1-CB 4.23Å; T1160-N1168 WeakPolarHBondContact O-CA 3.43Å | ||
| 1169 | D | 81.7 | Confident | 75.8 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | trans | -78 | -13.2 | 179.7 | 63.7 | 5.5 | 0 | 0 | 0 | 112.7 | S1123 S1132 T1160 S1161 K1162 Q1167 | S1123-D1169 PolarHBondContact N-O 2.85Å; S1132-D1169 WeakPolarHBondContact OG-CB 3.48Å; T1160-D1169 PolarHBondContact O-N 3.18Å; S1161-D1169 VanDerWaalsContact CA-OD1 3.28Å; S1161-D1169 WeakPolarHBondContact CA-OD1 3.41Å; K1162-D1169 VanDerWaalsContact CB-OD2 3.23Å; K1162-D1169 WeakPolarHBondContact CB-OD2 3.38Å; K1162-D1169 PolarHBondContact N-OD1 2.89Å; K1162-D1169 PolarHBondContact N-OD2 2.82Å; K1162-D1169 VanDerWaalsContact N-OD2 3.11Å; Q1167-D1169 PolarHBondContact O-N 2.85Å | ||
| 1170 | T | 86.6 | Confident | 75.5 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.4 | -178.4 | 42.3 | 0 | 0 | 0 | 0 | 110.6 | F1121 Y1159 T1160 | F1121-T1170 WeakPolarHBondContact O-CA 3.23Å; Y1159-T1170 WeakPolarHBondContact CA-O 3.45Å; T1160-T1170 VanDerWaalsContact C-OG1 3.22Å; T1160-T1170 PolarHBondContact N-O 3.04Å; T1160-T1170 PolarHBondContact O-N 2.99Å; T1160-T1170 VanDerWaalsContact O-O 3.08Å; T1160-T1170 PolarHBondContact O-OG1 2.68Å; T1160-T1170 WeakPolarHBondContact OG1-CB 3.28Å; T1160-T1170 PolarHBondContact OG1-OG1 2.88Å |
| 1171 | A | 90.4 | Very high | 74.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | V1120 F1121 I1136 V1139 V1157 Y1159 | V1120-A1171 CarbonylContact C-O 3.55Å; V1120-A1171 WeakPolarHBondContact CA-O 2.95Å; F1121-A1171 HydrophobicContact CB-CB 4.48Å; F1121-A1171 HydrophobicContact CD2-CB 4.42Å; F1121-A1171 PolarHBondContact N-O 3.22Å; F1121-A1171 PolarHBondContact O-N 3.37Å; I1136-A1171 HydrophobicContact CB-CB 4.44Å; I1136-A1171 HydrophobicContact CD1-CB 3.76Å; I1136-A1171 HydrophobicContact CG2-CB 3.98Å; V1139-A1171 HydrophobicContact CG2-CB 4.02Å; V1157-A1171 HydrophobicContact CG1-CB 4.11Å; Y1159-A1171 HydrophobicContact CD1-CB 3.79Å; Y1159-A1171 HydrophobicContact CE1-CB 3.94Å |
| 1172 | S | 89.7 | Confident | 74.3 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138 | 179.2 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | V1119 E1158 | V1119-S1172 CarbonylContact O-C 3.57Å; V1119-S1172 WeakPolarHBondContact O-CA 3.38Å; E1158-S1172 PolarHBondContact N-O 2.81Å; E1158-S1172 PolarHBondContact O-N 2.88Å; E1158-S1172 PolarHBondContact O-OG 3.02Å |
| 1173 | V | 87.9 | Confident | 73.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.3 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | S1118 V1119 V1139 I1141 F1155 V1157 F1175 | S1118-V1173 CarbonylContact C-O 3.37Å; S1118-V1173 VanDerWaalsContact CA-O 3.23Å; S1118-V1173 WeakPolarHBondContact CA-O 3.27Å; V1119-V1173 PolarHBondContact N-O 2.96Å; V1119-V1173 PolarHBondContact O-N 2.8Å; V1139-V1173 HydrophobicContact CG1-CG2 4.2Å; I1141-V1173 HydrophobicContact CD1-CB 4.35Å; I1141-V1173 HydrophobicContact CD1-CG1 3.57Å; I1141-V1173 HydrophobicContact CD1-CG2 4.09Å; F1155-V1173 HydrophobicContact CB-CG1 4.08Å; V1157-V1173 HydrophobicContact CG1-CG2 4.17Å; V1157-V1173 HydrophobicContact CG2-CG2 4.1Å; V1173-F1175 HydrophobicContact CB-CZ 4.34Å; V1173-F1175 HydrophobicContact CG1-CD1 4.15Å; V1173-F1175 HydrophobicContact CG1-CE1 3.75Å; V1173-F1175 HydrophobicContact CG1-CE2 4.35Å; V1173-F1175 HydrophobicContact CG1-CZ 3.87Å |
| 1174 | D | 83.4 | Confident | 73.2 | Confident | 62 Ų | 62 | 32.4 Ų | 32.4 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.9 | 172.3 | 176.5 | 26.3 | 0 | 0 | 0 | 109.7 | R1023 G1176 | R1023-D1174 IonicContact CZ-OD2 2.8Å; R1023-D1174 IonicContact NH2-OD2 3.85Å; R1023-D1174 PolarHBondContact NH2-OD2 2.93Å; D1174-G1176 VanDerWaalsContact C-N 3.34Å; D1174-G1176 WeakPolarHBondContact OD1-CA 3.26Å; D1174-G1176 PolarHBondContact OD1-N 3.44Å |
| 1175 | F | 81.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -6.2 | 174.6 | -62.6 | -65.3 | 0 | 0 | 0 | 112.6 | I1022 C1117 V1119 I1141 F1143 F1155 V1173 N1177 L1178 I1194 F1220 | I1022-F1175 WeakPolarHBondContact CD1-O 3.46Å; C1117-F1175 HydrophobicContact CB-CB 3.96Å; C1117-F1175 WeakPolarHBondContact O-CA 3.13Å; C1117-F1175 WeakPolarHBondContact O-CB 3.5Å; C1117-F1175 PolarHBondContact O-N 3.11Å; V1119-F1175 HydrophobicContact CB-CE2 4.09Å; V1119-F1175 HydrophobicContact CG2-CD2 4.3Å; V1119-F1175 HydrophobicContact CG2-CE2 3.6Å; I1141-F1175 HydrophobicContact CD1-CE1 3.76Å; I1141-F1175 HydrophobicContact CD1-CZ 3.96Å; I1141-F1175 HydrophobicContact CG2-CE1 4.11Å; I1141-F1175 HydrophobicContact CG2-CZ 4.34Å; F1143-F1175 HydrophobicContact CE1-CD1 4.32Å; F1143-F1175 HydrophobicContact CE1-CE1 4.14Å; F1143-F1175 AromaticContact CZ-CD1 3.93Å; F1143-F1175 HydrophobicContact CZ-CD1 3.93Å; F1143-F1175 AromaticContact CZ-CE1 3.68Å; F1143-F1175 HydrophobicContact CZ-CE1 3.68Å; F1155-F1175 HydrophobicContact CD1-CD1 4.23Å; F1155-F1175 HydrophobicContact CE1-CD1 4.27Å; F1155-F1175 HydrophobicContact CG-CD1 4.38Å; F1155-F1175 HydrophobicContact CZ-CD1 4.43Å; V1173-F1175 HydrophobicContact CB-CZ 4.34Å; V1173-F1175 HydrophobicContact CG1-CD1 4.15Å; V1173-F1175 HydrophobicContact CG1-CE1 3.75Å; V1173-F1175 HydrophobicContact CG1-CE2 4.35Å; V1173-F1175 HydrophobicContact CG1-CZ 3.87Å; F1175-N1177 PolarHBondContact O-N 2.9Å; F1175-L1178 HydrophobicContact CB-CD1 3.85Å; F1175-L1178 HydrophobicContact CB-CD2 4.5Å; F1175-L1178 HydrophobicContact CB-CG 4.14Å; F1175-L1178 HydrophobicContact CG-CD1 4.27Å; F1175-I1194 HydrophobicContact CZ-CD1 4.24Å; F1175-F1220 HydrophobicContact CD2-CZ 4.29Å |
| 1176 | G | 79 | Confident | 72 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | -131.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1116 C1117 D1174 | N1116-G1176 CarbonylContact C-O 3.52Å; N1116-G1176 PolarHBondContact N-O 3.01Å; C1117-G1176 WeakPolarHBondContact CB-O 3.09Å; C1117-G1176 PolarHBondContact N-O 2.86Å; C1117-G1176 PolarHBondContact O-N 2.99Å; D1174-G1176 VanDerWaalsContact C-N 3.34Å; D1174-G1176 WeakPolarHBondContact OD1-CA 3.26Å; D1174-G1176 PolarHBondContact OD1-N 3.44Å |
| 1177 | N | 83.7 | Confident | 71.2 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.9 | -178.6 | -63.6 | -33 | 0 | 0 | 0 | 111.5 | T923 P924 M1065 P1115 N1116 F1175 | T923-N1177 WeakPolarHBondContact CG2-ND2 3.29Å; P924-N1177 PolarHBondContact O-ND2 3.05Å; M1065-N1177 HydrophobicContact CE-CB 3.66Å; M1065-N1177 HydrophobicContact SD-CB 4.01Å; P1115-N1177 VanDerWaalsContact CA-OD1 3.3Å; P1115-N1177 WeakPolarHBondContact CA-OD1 3.28Å; N1116-N1177 PolarHBondContact N-OD1 3.04Å; F1175-N1177 PolarHBondContact O-N 2.9Å |
| 1178 | L | 80.2 | Confident | 70 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137 | 174.6 | -68.7 | 176.5 | 0 | 0 | 0 | 110.6 | L1114 C1117 F1175 I1192 F1220 | L1114-L1178 PolarHBondContact N-O 3.07Å; L1114-L1178 PolarHBondContact O-N 3.37Å; C1117-L1178 HydrophobicContact CB-CB 4.47Å; C1117-L1178 HydrophobicContact CB-CD1 3.74Å; C1117-L1178 HydrophobicContact CB-CG 4.04Å; F1175-L1178 HydrophobicContact CB-CD1 3.85Å; F1175-L1178 HydrophobicContact CB-CD2 4.5Å; F1175-L1178 HydrophobicContact CB-CG 4.14Å; F1175-L1178 HydrophobicContact CG-CD1 4.27Å; L1178-I1192 HydrophobicContact CD1-CD1 4.26Å; L1178-F1220 HydrophobicContact CD1-CD1 4.11Å; L1178-F1220 HydrophobicContact CD1-CE1 3.45Å; L1178-F1220 VanDerWaalsContact CD1-CE1 3.45Å; L1178-F1220 HydrophobicContact CD1-CZ 4.16Å |
| 1179 | V | 76.4 | Confident | 68.8 | Low | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.7 | 175 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | I909 F911 I927 M1065 S1112 K1113 P1181 | I909-V1179 HydrophobicContact CG2-CG1 3.67Å; F911-V1179 HydrophobicContact CE2-CG1 4.17Å; F911-V1179 HydrophobicContact CZ-CG1 3.65Å; I927-V1179 HydrophobicContact CB-CB 4.33Å; I927-V1179 HydrophobicContact CB-CG1 4.26Å; I927-V1179 HydrophobicContact CD1-CB 3.71Å; I927-V1179 HydrophobicContact CD1-CG1 3.87Å; I927-V1179 HydrophobicContact CG1-CB 3.85Å; I927-V1179 HydrophobicContact CG1-CG1 4.2Å; I927-V1179 HydrophobicContact CG1-CG2 4.4Å; M1065-V1179 HydrophobicContact SD-CG2 3.69Å; S1112-V1179 CarbonylContact O-C 3.53Å; S1112-V1179 WeakPolarHBondContact O-CA 3.45Å; K1113-V1179 HydrophobicContact CB-CG2 4.48Å; K1113-V1179 HydrophobicContact CG-CG1 4.26Å; K1113-V1179 HydrophobicContact CG-CG2 4.18Å; V1179-P1181 WeakPolarHBondContact O-CD 3.24Å |
| 1180 | N | 76.5 | Confident | 68.2 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 100.6 | 174.8 | -179.9 | -1.7 | 0 | 0 | 0 | 109.6 | V1108 P1109 N1111 S1112 L1146 F1147 N1182 S1190 | V1108-N1180 HydrophobicContact CB-CB 4.47Å; V1108-N1180 HydrophobicContact CG1-CB 3.84Å; V1108-N1180 PolarHBondContact O-ND2 2.86Å; P1109-N1180 WeakPolarHBondContact O-CB 3.42Å; P1109-N1180 PolarHBondContact O-ND2 2.82Å; N1111-N1180 CarbonylContact C-O 3.54Å; N1111-N1180 WeakPolarHBondContact CA-O 3.5Å; N1111-N1180 PolarHBondContact N-O 3.5Å; S1112-N1180 PolarHBondContact N-O 2.84Å; S1112-N1180 PolarHBondContact O-N 2.72Å; L1146-N1180 WeakPolarHBondContact CD2-OD1 3.43Å; F1147-N1180 HydrophobicContact CE1-CB 4.47Å; F1147-N1180 HydrophobicContact CZ-CB 4.07Å; N1180-N1182 VanDerWaalsContact C-N 3.26Å; N1180-N1182 PolarHBondContact O-N 3.22Å; N1180-N1182 PolarHBondContact OD1-N 3.38Å; N1180-N1182 VanDerWaalsContact OD1-N 3.14Å; N1180-S1190 WeakPolarHBondContact ND2-CB 3.42Å |
| 1181 | P | 64.5 | Low | 67.7 | Low | 15 Ų | 15 | 50.5 Ų | 50.5 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | trans | -79.9 | 6.5 | -176.5 | 32.3 | -38.2 | 0 | 0 | 0 | 117.2 | I909 F911 I927 N1111 V1179 F1184 | I909-P1181 HydrophobicContact CD1-CB 3.84Å; F911-P1181 HydrophobicContact CE1-CB 3.77Å; F911-P1181 HydrophobicContact CZ-CB 4.24Å; I927-P1181 HydrophobicContact CD1-CG 4.23Å; N1111-P1181 PolarHBondContact OD1-O 2.76Å; N1111-P1181 VanDerWaalsContact OD1-O 3.04Å; V1179-P1181 WeakPolarHBondContact O-CD 3.24Å; P1181-F1184 HydrophobicContact CB-CE2 3.85Å; P1181-F1184 HydrophobicContact CB-CZ 4.2Å; P1181-F1184 HydrophobicContact CG-CE2 4.14Å | ||
| 1182 | N | 61.6 | Low | 67.4 | Low | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | trans | 64.6 | 165.8 | -168.5 | -155.9 | -3.9 | 0 | 0 | 0 | 113.3 | E1110 N1111 N1180 F1184 | E1110-N1182 HydrophobicContact CB-CB 4.01Å; E1110-N1182 HydrophobicContact CG-CB 4.35Å; E1110-N1182 WeakPolarHBondContact CG-OD1 3.48Å; E1110-N1182 VanDerWaalsContact OE2-CG 3.3Å; E1110-N1182 PolarHBondContact OE2-ND2 2.89Å; E1110-N1182 PolarHBondContact OE2-OD1 2.83Å; N1111-N1182 PolarHBondContact ND2-ND2 3.35Å; N1111-N1182 VanDerWaalsContact OD1-CB 3.27Å; N1111-N1182 WeakPolarHBondContact OD1-CB 3.4Å; N1180-N1182 VanDerWaalsContact C-N 3.26Å; N1180-N1182 PolarHBondContact O-N 3.22Å; N1180-N1182 PolarHBondContact OD1-N 3.38Å; N1180-N1182 VanDerWaalsContact OD1-N 3.14Å; N1182-F1184 PolarHBondContact O-N 2.62Å; N1182-F1184 VanDerWaalsContact O-N 3.11Å | ||
| 1183 | N | 53.8 | Low | 67.3 | Low | 49 Ų | 49 | 51.9 Ų | 51.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | trans | -64.6 | 106.3 | 177.8 | -98.6 | -14.2 | 0 | 0 | 0 | 110.7 | N1185 F1188 | N1183-N1185 WeakPolarHBondContact CB-O 3.11Å; N1183-N1185 PolarHBondContact ND2-O 3.45Å; N1183-N1185 PolarHBondContact O-N 2.79Å; N1183-N1185 PolarHBondContact OD1-O 2.8Å; N1183-N1185 VanDerWaalsContact OD1-O 3.07Å; N1183-F1188 VanDerWaalsContact CG-O 3.25Å; N1183-F1188 PolarHBondContact ND2-O 2.88Å; N1183-F1188 WeakPolarHBondContact OD1-CA 3.38Å; N1183-F1188 VanDerWaalsContact OD1-CB 3.25Å; N1183-F1188 WeakPolarHBondContact OD1-CB 3.45Å; N1183-F1188 PolarHBondContact OD1-N 2.83Å; N1183-F1188 PolarHBondContact OD1-O 2.8Å | ||
| 1184 | F | 50.8 | Low | 67.4 | Low | 77 Ų | 77 | 51.8 Ų | 51.8 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -65.1 | -16.1 | 157.5 | -65.6 | -69.1 | 0 | 0 | 0 | 111.7 | L964 F1017 P1181 N1182 | L964-F1184 HydrophobicContact CD2-CD1 4.13Å; L964-F1184 HydrophobicContact CD2-CE1 4.4Å; F1017-F1184 HydrophobicContact CD2-CE2 4.43Å; F1017-F1184 HydrophobicContact CE1-CE2 4.18Å; F1017-F1184 AromaticContact CE1-CZ 3.83Å; F1017-F1184 HydrophobicContact CE1-CZ 3.83Å; F1017-F1184 HydrophobicContact CE2-CD2 4.48Å; F1017-F1184 HydrophobicContact CE2-CE1 4.41Å; F1017-F1184 AromaticContact CE2-CE2 3.96Å; F1017-F1184 HydrophobicContact CE2-CE2 3.96Å; F1017-F1184 AromaticContact CE2-CZ 3.94Å; F1017-F1184 HydrophobicContact CE2-CZ 3.94Å; F1017-F1184 AromaticContact CZ-CE1 3.95Å; F1017-F1184 HydrophobicContact CZ-CE1 3.95Å; F1017-F1184 AromaticContact CZ-CE2 3.82Å; F1017-F1184 HydrophobicContact CZ-CE2 3.82Å; F1017-F1184 AromaticContact CZ-CZ 3.39Å; F1017-F1184 HydrophobicContact CZ-CZ 3.39Å; P1181-F1184 HydrophobicContact CB-CE2 3.85Å; P1181-F1184 HydrophobicContact CB-CZ 4.2Å; P1181-F1184 HydrophobicContact CG-CE2 4.14Å; N1182-F1184 PolarHBondContact O-N 2.62Å; N1182-F1184 VanDerWaalsContact O-N 3.11Å |
| 1185 | N | 40.8 | Very low | 67.6 | Low | 87 Ų | 87 | 49.6 Ų | 49.6 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -147.8 | 134.5 | 172.2 | -86 | -42.6 | 0 | 0 | 0 | 110.6 | N1183 K1187 F1188 | N1183-N1185 WeakPolarHBondContact CB-O 3.11Å; N1183-N1185 PolarHBondContact ND2-O 3.45Å; N1183-N1185 PolarHBondContact O-N 2.79Å; N1183-N1185 PolarHBondContact OD1-O 2.8Å; N1183-N1185 VanDerWaalsContact OD1-O 3.07Å; N1185-K1187 PolarHBondContact O-N 2.85Å; N1185-F1188 HydrophobicContact CB-CE2 4.42Å |
| 1186 | E | 40.4 | Very low | 68 | Low | 192 Ų | 192 | 49.6 Ų | 49.6 | 90% | 0.897 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -4.7 | -171.6 | -71.5 | -174.7 | 153.6 | 0 | 0 | 117.3 | ||
| 1187 | K | 40.5 | Very low | 68.4 | Low | 186 Ų | 186 | 51.6 Ų | 51.6 | 81% | 0.809 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -2.7 | -170.9 | -74.2 | -177.2 | 178.9 | 174.1 | 0 | 115.9 | N1185 | N1185-K1187 PolarHBondContact O-N 2.85Š|
| 1188 | F | 44.3 | Very low | 68.6 | Low | 81 Ų | 81 | 50.8 Ų | 50.8 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | trans | -113.7 | 134.8 | -174.2 | -50 | -66.5 | 0 | 0 | 0 | 113.1 | N1145 N1183 N1185 | N1145-F1188 HydrophobicContact CB-CB 4.14Å; N1145-F1188 HydrophobicContact CB-CD1 3.23Å; N1145-F1188 HydrophobicContact CB-CE1 3.86Å; N1145-F1188 HydrophobicContact CB-CG 4.01Å; N1145-F1188 WeakPolarHBondContact ND2-CD1 3.38Å; N1183-F1188 VanDerWaalsContact CG-O 3.25Å; N1183-F1188 PolarHBondContact ND2-O 2.88Å; N1183-F1188 WeakPolarHBondContact OD1-CA 3.38Å; N1183-F1188 VanDerWaalsContact OD1-CB 3.25Å; N1183-F1188 WeakPolarHBondContact OD1-CB 3.45Å; N1183-F1188 PolarHBondContact OD1-N 2.83Å; N1183-F1188 PolarHBondContact OD1-O 2.8Å; N1185-F1188 HydrophobicContact CB-CE2 4.42Å | ||
| 1189 | K | 52.4 | Low | 68.9 | Low | 153 Ų | 153 | 51.7 Ų | 51.7 | 67% | 0.665 | 24% | 0.242 | S | C | * | . | trans | -98.7 | 128.7 | -179.6 | -70.1 | -175.9 | 178.6 | -178.5 | 0 | 110.3 | I1191 | K1189-I1191 HydrophobicContact CB-CD1 4.07Å; K1189-I1191 HydrophobicContact CB-CG1 4.14Å; K1189-I1191 HydrophobicContact CD-CD1 4.01Å; K1189-I1191 PolarHBondContact O-N 2.66Å | ||
| 1190 | S | 67 | Low | 69.3 | Low | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | trans | -75.1 | 42.8 | 177.1 | -46.1 | 0 | 0 | 0 | 0 | 113.5 | V1108 N1180 | V1108-S1190 PolarHBondContact N-O 2.89Å; V1108-S1190 VanDerWaalsContact N-O 3.11Å; N1180-S1190 WeakPolarHBondContact ND2-CB 3.42Å | ||
| 1191 | I | 77.1 | Confident | 69.5 | Low | 49 Ų | 49 | 51.5 Ų | 51.5 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129 | -171.1 | -58.4 | 174.5 | 0 | 0 | 0 | 110.1 | F1105 I1106 G1144 K1189 | F1105-I1191 HydrophobicContact CB-CG2 4.15Å; F1105-I1191 HydrophobicContact CD1-CG2 3.77Å; F1105-I1191 HydrophobicContact CG-CG2 4.45Å; I1106-I1191 WeakPolarHBondContact O-CA 3.34Å; G1144-I1191 WeakPolarHBondContact CA-O 3.09Å; G1144-I1191 PolarHBondContact N-O 3.17Å; K1189-I1191 HydrophobicContact CB-CD1 4.07Å; K1189-I1191 HydrophobicContact CB-CG1 4.14Å; K1189-I1191 HydrophobicContact CD-CD1 4.01Å; K1189-I1191 PolarHBondContact O-N 2.66Å |
| 1192 | I | 84.6 | Confident | 70 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.3 | 165.5 | -53.8 | 173.1 | 0 | 0 | 0 | 106.9 | F1105 I1106 V1108 I1141 F1143 F1147 L1178 I1194 F1220 | F1105-I1192 WeakPolarHBondContact CA-O 3.35Å; I1106-I1192 HydrophobicContact CB-CB 4.31Å; I1106-I1192 PolarHBondContact N-O 3.42Å; I1106-I1192 PolarHBondContact O-N 3.34Å; V1108-I1192 HydrophobicContact CG2-CD1 3.98Å; V1108-I1192 HydrophobicContact CG2-CG1 4.37Å; I1141-I1192 HydrophobicContact CG2-CG2 3.96Å; F1143-I1192 HydrophobicContact CD1-CG1 4.17Å; F1143-I1192 HydrophobicContact CD1-CG2 4.3Å; F1143-I1192 HydrophobicContact CE1-CD1 4.24Å; F1143-I1192 HydrophobicContact CE1-CG1 4.36Å; F1143-I1192 HydrophobicContact CE1-CG2 4.24Å; F1147-I1192 HydrophobicContact CD2-CG1 4.13Å; F1147-I1192 HydrophobicContact CE2-CG1 4.31Å; L1178-I1192 HydrophobicContact CD1-CD1 4.26Å; I1192-I1194 HydrophobicContact CG2-CD1 4.32Å; I1192-I1194 HydrophobicContact CG2-CG1 3.96Å; I1192-F1220 HydrophobicContact CD1-CE1 4.16Å; I1192-F1220 HydrophobicContact CD1-CZ 4.15Å |
| 1193 | K | 86.2 | Confident | 70.5 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 27% | 0.265 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.9 | 175.6 | 177.2 | -176.9 | 163.9 | -146.2 | 0 | 108.5 | T1103 F1104 F1105 E1142 N1195 | T1103-K1193 HydrophobicContact CG2-CD 4.37Å; T1103-K1193 HydrophobicContact CG2-CG 3.97Å; F1104-K1193 WeakPolarHBondContact O-CA 3.41Å; F1105-K1193 HydrophobicContact CD1-CB 4.12Å; F1105-K1193 HydrophobicContact CD1-CG 4.18Å; F1105-K1193 HydrophobicContact CE1-CB 4.1Å; F1105-K1193 HydrophobicContact CE1-CD 3.91Å; F1105-K1193 HydrophobicContact CE1-CG 3.77Å; F1105-K1193 HydrophobicContact CZ-CD 4.5Å; F1105-K1193 HydrophobicContact CZ-CG 4.46Å; E1142-K1193 HydrophobicContact CB-CB 4.25Å; E1142-K1193 PolarHBondContact N-O 2.94Å; E1142-K1193 PolarHBondContact O-N 3.04Å; E1142-K1193 WeakPolarHBondContact OE2-CD 3.45Å; E1142-K1193 IonicContact OE2-NZ 2.61Å; E1142-K1193 PolarHBondContact OE2-NZ 3.01Å; K1193-N1195 VanDerWaalsContact CE-OD1 3.24Å; K1193-N1195 WeakPolarHBondContact CE-OD1 3.42Å |
| 1194 | I | 89.9 | Confident | 71.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.2 | -179.6 | -49.9 | 173 | 0 | 0 | 0 | 108.7 | F1104 I1106 V1119 F1121 V1139 R1140 I1141 F1175 I1192 V1196 | F1104-I1194 PolarHBondContact N-O 3.13Å; F1104-I1194 PolarHBondContact O-N 3.3Å; I1106-I1194 HydrophobicContact CD1-CD1 3.83Å; V1119-I1194 HydrophobicContact CG1-CD1 4.32Å; V1119-I1194 HydrophobicContact CG2-CD1 4.34Å; F1121-I1194 HydrophobicContact CE1-CG2 4.42Å; F1121-I1194 HydrophobicContact CE2-CG2 4.02Å; F1121-I1194 HydrophobicContact CZ-CB 4.09Å; F1121-I1194 HydrophobicContact CZ-CD1 3.89Å; F1121-I1194 HydrophobicContact CZ-CG2 3.51Å; V1139-I1194 HydrophobicContact CG1-CG2 3.53Å; R1140-I1194 WeakPolarHBondContact O-CA 3.17Å; I1141-I1194 HydrophobicContact CG1-CG2 4.29Å; I1141-I1194 HydrophobicContact CG2-CG1 4.45Å; F1175-I1194 HydrophobicContact CZ-CD1 4.24Å; I1192-I1194 HydrophobicContact CG2-CD1 4.32Å; I1192-I1194 HydrophobicContact CG2-CG1 3.96Å; I1194-V1196 HydrophobicContact CG2-CG2 4.21Å |
| 1195 | N | 88.5 | Confident | 72.1 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.6 | 175.5 | -73.4 | 13.6 | 0 | 0 | 0 | 108.8 | E1101 F1102 T1103 R1140 K1193 | E1101-N1195 HydrophobicContact CG-CB 4.23Å; E1101-N1195 WeakPolarHBondContact OE1-CB 3.41Å; E1101-N1195 PolarHBondContact OE1-ND2 3.45Å; F1102-N1195 WeakPolarHBondContact O-CA 3.44Å; T1103-N1195 WeakPolarHBondContact CG2-OD1 3.25Å; T1103-N1195 PolarHBondContact OG1-OD1 3.05Å; R1140-N1195 HydrophobicContact CB-CB 4.34Å; R1140-N1195 PolarHBondContact N-O 3.31Å; R1140-N1195 PolarHBondContact O-N 3Å; K1193-N1195 VanDerWaalsContact CE-OD1 3.24Å; K1193-N1195 WeakPolarHBondContact CE-OD1 3.42Å |
| 1196 | V | 90 | Very high | 73.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.2 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | F1102 F1104 F1121 I1136 V1139 I1194 L1214 | F1102-V1196 HydrophobicContact CB-CB 4.42Å; F1102-V1196 PolarHBondContact N-O 2.95Å; F1102-V1196 PolarHBondContact O-N 3.33Å; F1104-V1196 HydrophobicContact CD2-CG2 3.97Å; F1104-V1196 HydrophobicContact CE2-CB 4.32Å; F1104-V1196 HydrophobicContact CE2-CG2 3.89Å; F1121-V1196 HydrophobicContact CD1-CG2 3.68Å; F1121-V1196 HydrophobicContact CD2-CG2 4.24Å; F1121-V1196 HydrophobicContact CE1-CG2 3.54Å; F1121-V1196 HydrophobicContact CE2-CG2 4.13Å; F1121-V1196 HydrophobicContact CG-CG2 4.03Å; F1121-V1196 HydrophobicContact CZ-CG2 3.79Å; I1136-V1196 HydrophobicContact CG1-CG1 4.48Å; I1136-V1196 HydrophobicContact CG2-CG1 3.69Å; V1139-V1196 HydrophobicContact CG2-CG1 4.37Å; V1139-V1196 HydrophobicContact CG2-CG2 4.46Å; I1194-V1196 HydrophobicContact CG2-CG2 4.21Å; V1196-L1214 HydrophobicContact CB-CD2 4.09Å; V1196-L1214 HydrophobicContact CG1-CD2 3.87Å |
| 1197 | H | 87.9 | Confident | 75.3 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.5 | 174.7 | -74.7 | -135.8 | 0 | 0 | 0 | 107.7 | E1101 L1137 D1138 | E1101-H1197 IonicContact OE1-CD2 3.75Å; E1101-H1197 IonicContact OE1-CE1 2.75Å; E1101-H1197 IonicContact OE1-NE2 2.97Å; E1101-H1197 PolarHBondContact OE1-NE2 3.24Å; L1137-H1197 PolarHBondContact N-O 2.88Å; D1138-H1197 HydrophobicContact CB-CB 4.14Å; D1138-H1197 PolarHBondContact N-O 3.18Å; D1138-H1197 PolarHBondContact O-N 3.48Å |
| 1198 | A | 87.3 | Confident | 77 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1099 T1100 F1102 T1135 | T1099-A1198 CarbonylContact C-O 3.57Å; T1099-A1198 WeakPolarHBondContact CA-O 3.19Å; T1100-A1198 PolarHBondContact N-O 3.41Å; T1100-A1198 PolarHBondContact O-N 2.82Å; F1102-A1198 HydrophobicContact CD2-CB 4.14Å; F1102-A1198 HydrophobicContact CE2-CB 3.92Å; T1135-A1198 CarbonylContact O-C 3.54Å; T1135-A1198 VanDerWaalsContact O-CA 3.28Å; T1135-A1198 WeakPolarHBondContact O-CA 3.44Å |
| 1199 | R | 85.5 | Confident | 78.5 | Confident | 22 Ų | 22 | 36 Ų | 36 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.6 | 172.9 | -171.6 | 173.5 | -66 | 169.1 | 16.5 | 110.3 | G1097 E1098 T1099 L1134 T1135 L1137 S1201 D1333 | G1097-R1199 WeakPolarHBondContact O-CD 3.37Å; G1097-R1199 WeakPolarHBondContact O-CG 3.49Å; E1098-R1199 WeakPolarHBondContact O-CA 3.34Å; T1099-R1199 HydrophobicContact CG2-CB 4.33Å; T1099-R1199 HydrophobicContact CG2-CG 4.47Å; L1134-R1199 WeakPolarHBondContact CA-O 3.28Å; T1135-R1199 PolarHBondContact N-O 3.35Å; T1135-R1199 PolarHBondContact O-N 3.09Å; L1137-R1199 HydrophobicContact CD1-CB 4.14Å; L1137-R1199 HydrophobicContact CG-CB 4.39Å; R1199-S1201 PolarHBondContact O-N 2.78Å; R1199-D1333 VanDerWaalsContact CZ-CG 3.46Å; R1199-D1333 IonicContact CZ-OD1 2.89Å; R1199-D1333 IonicContact CZ-OD2 2.92Å; R1199-D1333 IonicContact NE-OD2 2.67Å; R1199-D1333 IonicContact NH1-OD1 3.07Å; R1199-D1333 PolarHBondContact NH1-OD1 3.01Å; R1199-D1333 IonicContact NH1-OD2 3.98Å; R1199-D1333 PolarHBondContact NH1-OD2 3.39Å; R1199-D1333 IonicContact NH2-OD1 2.75Å; R1199-D1333 PolarHBondContact NH2-OD1 2.76Å; R1199-D1333 IonicContact NH2-OD2 2.66Å; R1199-D1333 PolarHBondContact NH2-OD2 2.9Å; R1199-D1333 VanDerWaalsContact NH2-OD2 3.08Å |
| 1200 | I | 85.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.2 | 175.1 | -61.8 | 168.7 | 0 | 0 | 0 | 109.4 | R1094 P1096 G1097 E1098 L1134 V1206 Q1231 I1233 | R1094-I1200 HydrophobicContact CB-CD1 3.39Å; P1096-I1200 HydrophobicContact CB-CG2 4.47Å; G1097-I1200 PolarHBondContact N-O 2.84Å; E1098-I1200 PolarHBondContact O-N 3.33Å; E1098-I1200 VanDerWaalsContact O-N 3.08Å; L1134-I1200 HydrophobicContact CD2-CG1 3.97Å; I1200-V1206 HydrophobicContact CG2-CG1 3.84Å; I1200-Q1231 HydrophobicContact CD1-CG 4.22Å; I1200-I1233 HydrophobicContact CD1-CD1 3.76Å; I1200-I1233 HydrophobicContact CG1-CD1 4.24Å; I1200-I1233 HydrophobicContact CG2-CD1 3.68Å |
| 1201 | S | 80.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 149.9 | 179 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | S1132 E1133 T1135 R1199 S1203 | S1132-S1201 WeakPolarHBondContact O-CB 3.16Å; S1132-S1201 PolarHBondContact O-OG 3.32Å; E1133-S1201 WeakPolarHBondContact O-CB 3.4Å; E1133-S1201 PolarHBondContact O-N 2.77Å; T1135-S1201 PolarHBondContact OG1-OG 2.84Å; R1199-S1201 PolarHBondContact O-N 2.78Å; S1201-S1203 PolarHBondContact O-N 3.4Å |
| 1202 | D | 75.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -83.9 | 55.5 | 174.2 | -174.7 | 28 | 0 | 0 | 0 | 111.7 | P1096 R1235 L1280 E1281 F1332 R1372 | P1096-D1202 HydrophobicContact CB-CB 4.4Å; D1202-R1235 IonicContact OD1-CZ 3.77Å; D1202-R1235 IonicContact OD1-NH1 2.63Å; D1202-R1235 PolarHBondContact OD1-NH1 2.98Å; D1202-R1235 IonicContact OD1-NH2 3.29Å; D1202-R1235 PolarHBondContact OD1-NH2 3.08Å; D1202-L1280 WeakPolarHBondContact OD2-CA 3.37Å; D1202-L1280 WeakPolarHBondContact OD2-CD2 3.22Å; D1202-E1281 HydrophobicContact CB-CB 3.93Å; D1202-E1281 HydrophobicContact CB-CG 3.71Å; D1202-E1281 PolarHBondContact N-OE2 2.9Å; D1202-E1281 PolarHBondContact OD2-N 2.84Å; D1202-F1332 HydrophobicContact CB-CE2 4.06Å; D1202-F1332 HydrophobicContact CB-CZ 4.16Å; D1202-R1372 PolarHBondContact O-NH2 2.86Å; D1202-R1372 IonicContact OD1-CZ 3.19Å; D1202-R1372 IonicContact OD1-NH2 3Å; D1202-R1372 PolarHBondContact OD1-NH2 3.25Å | ||
| 1203 | S | 73.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -85.1 | 150.9 | -179.9 | 178 | 0 | 0 | 0 | 0 | 112.9 | E1131 S1132 S1201 V1205 V1206 R1372 | E1131-S1203 VanDerWaalsContact CB-OG 3.28Å; E1131-S1203 WeakPolarHBondContact CB-OG 3.23Å; E1131-S1203 VanDerWaalsContact OE2-CA 3.28Å; E1131-S1203 WeakPolarHBondContact OE2-CA 3.4Å; E1131-S1203 WeakPolarHBondContact OE2-CB 3.5Å; E1131-S1203 PolarHBondContact OE2-OG 3.21Å; S1132-S1203 WeakPolarHBondContact O-CB 3.28Å; S1201-S1203 PolarHBondContact O-N 3.4Å; S1203-V1205 PolarHBondContact O-N 3.49Å; S1203-V1205 VanDerWaalsContact O-N 3.11Å; S1203-V1205 WeakPolarHBondContact OG-CG2 3.42Å; S1203-V1206 WeakPolarHBondContact O-CB 3.47Å; S1203-V1206 PolarHBondContact O-N 3.07Å; S1203-R1372 PolarHBondContact O-NH1 3.44Å; S1203-R1372 PolarHBondContact O-NH2 3.19Å | ||
| 1204 | R | 69.2 | Low | 80.8 | Confident | 112 Ų | 112 | 35.1 Ų | 35.1 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.5 | 177.2 | -63.4 | -176.8 | -167.2 | -164.2 | -0.2 | 114.8 | Y1129 E1131 T1370 | Y1129-R1204 HydrophobicContact CD2-CB 3.84Å; Y1129-R1204 HydrophobicContact CE2-CB 3.91Å; Y1129-R1204 HydrophobicContact CG-CB 4.23Å; E1131-R1204 PolarHBondContact OE2-N 3.29Å; R1204-T1370 HydrophobicContact CG-CG2 3.9Å |
| 1205 | V | 68.6 | Low | 80.7 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -20.4 | 174.7 | -98.6 | 0 | 0 | 0 | 0 | 113.3 | E1133 S1203 N1207 | E1133-V1205 HydrophobicContact CG-CG2 4.09Å; S1203-V1205 PolarHBondContact O-N 3.49Å; S1203-V1205 VanDerWaalsContact O-N 3.11Å; S1203-V1205 WeakPolarHBondContact OG-CG2 3.42Å; V1205-N1207 PolarHBondContact O-N 3.03Å; V1205-N1207 VanDerWaalsContact O-N 3.08Å |
| 1206 | V | 74.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -84.9 | 78.6 | -176.6 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | E1133 I1200 S1203 V1212 I1233 R1235 R1372 | E1133-V1206 HydrophobicContact CB-CG2 4.39Å; E1133-V1206 HydrophobicContact CG-CG2 4.44Å; I1200-V1206 HydrophobicContact CG2-CG1 3.84Å; S1203-V1206 WeakPolarHBondContact O-CB 3.47Å; S1203-V1206 PolarHBondContact O-N 3.07Å; V1206-V1212 HydrophobicContact CG1-CG1 4.46Å; V1206-V1212 HydrophobicContact CG2-CG1 3.82Å; V1206-I1233 HydrophobicContact CG1-CB 4.35Å; V1206-I1233 HydrophobicContact CG1-CD1 3.93Å; V1206-I1233 HydrophobicContact CG1-CG1 3.86Å; V1206-I1233 HydrophobicContact CG1-CG2 3.65Å; V1206-R1235 VanDerWaalsContact O-CZ 3.26Å; V1206-R1235 PolarHBondContact O-NE 3.06Å; V1206-R1235 PolarHBondContact O-NH2 2.96Å; V1206-R1235 VanDerWaalsContact O-NH2 3.13Å; V1206-R1372 PolarHBondContact O-NH1 3.24Å | ||
| 1207 | N | 73.7 | Confident | 81 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | trans | -96.3 | 165.7 | 178.1 | -72 | -30.5 | 0 | 0 | 0 | 112.6 | V1205 G1209 S1210 I1233 R1372 | V1205-N1207 PolarHBondContact O-N 3.03Å; V1205-N1207 VanDerWaalsContact O-N 3.08Å; N1207-G1209 PolarHBondContact O-N 3.37Å; N1207-S1210 PolarHBondContact N-OG 3.4Å; N1207-S1210 VanDerWaalsContact O-CB 3.26Å; N1207-S1210 WeakPolarHBondContact O-CB 3.28Å; N1207-S1210 PolarHBondContact O-N 2.9Å; N1207-S1210 PolarHBondContact O-OG 2.83Å; N1207-I1233 WeakPolarHBondContact O-CG2 3.47Å; N1207-R1372 PolarHBondContact OD1-NH1 2.73Å | ||
| 1208 | N | 76.1 | Confident | 81.1 | Confident | 110 Ų | 110 | 36 Ų | 36 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 127.8 | 177.1 | -164.7 | 38.7 | 0 | 0 | 0 | 110.6 | S1210 E1234 R1235 | N1208-S1210 VanDerWaalsContact C-N 3.26Å; N1208-S1210 PolarHBondContact O-N 2.77Å; N1208-E1234 WeakPolarHBondContact OD1-CA 3.13Å; N1208-R1235 HydrophobicContact CB-CB 4.13Å; N1208-R1235 PolarHBondContact OD1-N 3.29Å |
| 1209 | G | 76.5 | Confident | 81.3 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -4.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1207 I1233 | N1207-G1209 PolarHBondContact O-N 3.37Å; G1209-I1233 PolarHBondContact N-O 2.71Å |
| 1210 | S | 79.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | trans | -66.2 | 155.3 | 172.5 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | N1207 N1208 I1233 | N1207-S1210 PolarHBondContact N-OG 3.4Å; N1207-S1210 VanDerWaalsContact O-CB 3.26Å; N1207-S1210 WeakPolarHBondContact O-CB 3.28Å; N1207-S1210 PolarHBondContact O-N 2.9Å; N1207-S1210 PolarHBondContact O-OG 2.83Å; N1208-S1210 VanDerWaalsContact C-N 3.26Å; N1208-S1210 PolarHBondContact O-N 2.77Å; S1210-I1233 WeakPolarHBondContact O-CB 3.38Å; S1210-I1233 WeakPolarHBondContact O-CG1 3.48Å; S1210-I1233 PolarHBondContact O-N 2.83Å | ||
| 1211 | K | 81.1 | Confident | 81.4 | Confident | 141 Ų | 141 | 40.6 Ų | 40.6 | 61% | 0.613 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.5 | 177.1 | -72.8 | -176.8 | -179.9 | -178.2 | 0 | 109.2 | Q1231 V1232 | K1211-Q1231 WeakPolarHBondContact CA-O 3.39Å; K1211-V1232 HydrophobicContact CG-CG2 4.06Å |
| 1212 | V | 81 | Confident | 81.5 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.7 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | E1133 L1134 V1206 S1230 Q1231 I1233 | E1133-V1212 HydrophobicContact CB-CB 4.13Å; E1133-V1212 HydrophobicContact CB-CG1 3.88Å; E1133-V1212 HydrophobicContact CG-CG1 4.26Å; E1133-V1212 WeakPolarHBondContact OE2-CA 3.44Å; L1134-V1212 HydrophobicContact CD1-CG2 4.44Å; L1134-V1212 HydrophobicContact CD2-CB 4.44Å; L1134-V1212 HydrophobicContact CD2-CG2 3.83Å; L1134-V1212 HydrophobicContact CG-CB 4.42Å; L1134-V1212 HydrophobicContact CG-CG2 4.29Å; V1206-V1212 HydrophobicContact CG1-CG1 4.46Å; V1206-V1212 HydrophobicContact CG2-CG1 3.82Å; V1212-S1230 CarbonylContact O-C 3.42Å; V1212-S1230 VanDerWaalsContact O-CA 3.25Å; V1212-S1230 WeakPolarHBondContact O-CA 3.39Å; V1212-Q1231 HydrophobicContact CG2-CB 3.88Å; V1212-Q1231 PolarHBondContact N-O 3.27Å; V1212-Q1231 PolarHBondContact O-N 2.82Å; V1212-I1233 HydrophobicContact CB-CD1 4.43Å; V1212-I1233 HydrophobicContact CG1-CD1 3.88Å; V1212-I1233 HydrophobicContact CG1-CG1 3.89Å; V1212-I1233 HydrophobicContact CG2-CD1 3.67Å; V1212-I1233 HydrophobicContact CG2-CG1 4.29Å |
| 1213 | K | 84.4 | Confident | 81.9 | Confident | 81 Ų | 81 | 46 Ų | 46 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.6 | -173.6 | -62.5 | -169.5 | 176.2 | -166.5 | 0 | 112.1 | G1124 E1133 E1228 I1229 | G1124-K1213 PolarHBondContact N-O 2.86Å; E1133-K1213 PolarHBondContact OE2-N 2.79Å; K1213-E1228 WeakPolarHBondContact CE-OE1 3.38Å; K1213-E1228 IonicContact NZ-OE1 2.85Å; K1213-E1228 PolarHBondContact NZ-OE1 2.99Å; K1213-E1228 IonicContact NZ-OE2 3.3Å; K1213-E1228 PolarHBondContact NZ-OE2 3.4Å; K1213-I1229 WeakPolarHBondContact CA-O 3.39Å |
| 1214 | L | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.1 | 165.7 | -174.2 | 67.7 | 0 | 0 | 0 | 109.1 | F1102 F1104 F1121 L1134 I1136 V1196 E1228 I1229 | F1102-L1214 HydrophobicContact CB-CD2 3.95Å; F1102-L1214 HydrophobicContact CD2-CB 4.41Å; F1102-L1214 HydrophobicContact CD2-CD2 3.45Å; F1102-L1214 VanDerWaalsContact CD2-CD2 3.45Å; F1102-L1214 HydrophobicContact CE2-CB 4.38Å; F1102-L1214 HydrophobicContact CE2-CD2 4.08Å; F1102-L1214 HydrophobicContact CG-CD2 3.83Å; F1104-L1214 HydrophobicContact CE2-CD2 3.75Å; F1104-L1214 HydrophobicContact CE2-CG 4.46Å; F1104-L1214 HydrophobicContact CZ-CB 4.48Å; F1104-L1214 HydrophobicContact CZ-CD2 3.81Å; F1104-L1214 HydrophobicContact CZ-CG 4.06Å; F1121-L1214 HydrophobicContact CB-CD1 4.5Å; L1134-L1214 HydrophobicContact CD1-CB 4.04Å; L1134-L1214 HydrophobicContact CD1-CD1 4.45Å; I1136-L1214 HydrophobicContact CD1-CD1 4.33Å; V1196-L1214 HydrophobicContact CB-CD2 4.09Å; V1196-L1214 HydrophobicContact CG1-CD2 3.87Å; L1214-E1228 WeakPolarHBondContact O-CA 3.35Å; L1214-I1229 HydrophobicContact CB-CG2 4.02Å; L1214-I1229 PolarHBondContact N-O 2.84Å; L1214-I1229 PolarHBondContact O-N 3.38Å |
| 1215 | V | 89.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 109 | F1121 S1122 I1226 E1228 | F1121-V1215 CarbonylContact C-O 3.58Å; F1121-V1215 WeakPolarHBondContact CA-O 3.25Å; S1122-V1215 PolarHBondContact N-O 3.04Å; S1122-V1215 PolarHBondContact O-N 3.11Å; V1215-I1226 HydrophobicContact CG1-CG2 3.64Å; V1215-E1228 HydrophobicContact CG2-CB 4.12Å |
| 1216 | M | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.7 | 169 | -178 | -168.9 | 81.9 | 0 | 0 | 109.1 | V1084 F1104 I1106 V1119 F1121 A1218 I1226 T1227 | V1084-M1216 HydrophobicContact CB-CE 3.69Å; V1084-M1216 HydrophobicContact CG1-CE 3.53Å; F1104-M1216 HydrophobicContact CB-CE 4.5Å; F1104-M1216 HydrophobicContact CB-SD 3.61Å; F1104-M1216 HydrophobicContact CD1-CB 3.71Å; F1104-M1216 HydrophobicContact CD1-CG 4.37Å; F1104-M1216 HydrophobicContact CD1-SD 3.88Å; F1104-M1216 HydrophobicContact CE1-CB 3.68Å; F1104-M1216 HydrophobicContact CG-CB 4.32Å; F1104-M1216 HydrophobicContact CG-SD 3.82Å; F1104-M1216 HydrophobicContact CZ-CB 4.26Å; I1106-M1216 HydrophobicContact CD1-CE 4.03Å; I1106-M1216 HydrophobicContact CD1-SD 4.08Å; I1106-M1216 HydrophobicContact CG1-CE 3.73Å; I1106-M1216 HydrophobicContact CG1-SD 4.17Å; V1119-M1216 HydrophobicContact CG1-CG 3.45Å; V1119-M1216 VanDerWaalsContact CG1-CG 3.45Å; V1119-M1216 HydrophobicContact CG1-SD 3.9Å; F1121-M1216 HydrophobicContact CD1-CB 3.89Å; F1121-M1216 HydrophobicContact CD1-CG 3.89Å; F1121-M1216 HydrophobicContact CE1-CB 3.84Å; F1121-M1216 HydrophobicContact CE1-CG 3.46Å; F1121-M1216 VanDerWaalsContact CE1-CG 3.46Å; F1121-M1216 HydrophobicContact CE1-SD 3.79Å; F1121-M1216 HydrophobicContact CZ-CG 4.12Å; F1121-M1216 HydrophobicContact CZ-SD 4.2Å; M1216-A1218 HydrophobicContact CE-CB 4.21Å; M1216-I1226 WeakPolarHBondContact O-CA 3.26Å; M1216-T1227 HydrophobicContact CB-CG2 4.07Å; M1216-T1227 HydrophobicContact CE-CG2 3.74Å; M1216-T1227 PolarHBondContact N-O 3.08Å; M1216-T1227 PolarHBondContact O-N 2.6Å |
| 1217 | T | 91.6 | Very high | 84.9 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 111.4 | 170 | -56.3 | 0 | 0 | 0 | 0 | 108.8 | V1119 V1120 I1226 | V1119-T1217 WeakPolarHBondContact CA-O 3.38Å; V1120-T1217 PolarHBondContact N-O 3.05Å; V1120-T1217 PolarHBondContact O-N 2.8Å; T1217-I1226 HydrophobicContact CG2-CG1 4.17Å |
| 1218 | A | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1082 V1084 I1106 V1119 M1216 F1220 T1224 G1225 | L1082-A1218 HydrophobicContact CD2-CB 3.67Å; V1084-A1218 HydrophobicContact CG1-CB 4.06Å; I1106-A1218 HydrophobicContact CD1-CB 4.17Å; V1119-A1218 HydrophobicContact CG2-CB 3.96Å; M1216-A1218 HydrophobicContact CE-CB 4.21Å; A1218-F1220 HydrophobicContact CB-CD2 4.12Å; A1218-F1220 HydrophobicContact CB-CE2 3.93Å; A1218-T1224 CarbonylContact O-C 3.55Å; A1218-T1224 VanDerWaalsContact O-CA 3.28Å; A1218-T1224 WeakPolarHBondContact O-CA 3.15Å; A1218-G1225 PolarHBondContact N-O 2.98Å; A1218-G1225 PolarHBondContact O-N 2.96Å |
| 1219 | K | 91.2 | Very high | 86 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 47% | 0.47 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.9 | 174.1 | -178.9 | -176.9 | 178.5 | -175.7 | 0 | 108.8 | C1117 S1118 L1223 T1224 | C1117-K1219 CarbonylContact C-O 3.43Å; C1117-K1219 VanDerWaalsContact CA-O 3.25Å; C1117-K1219 WeakPolarHBondContact CA-O 3.45Å; S1118-K1219 PolarHBondContact N-O 2.85Å; S1118-K1219 PolarHBondContact O-N 3.28Å; K1219-L1223 CarbonylContact C-O 3.6Å; K1219-L1223 WeakPolarHBondContact CA-O 3.41Å; K1219-T1224 HydrophobicContact CB-CG2 4.5Å; K1219-T1224 HydrophobicContact CG-CG2 4.28Å |
| 1220 | F | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 97.3 | -177.8 | -77.8 | -122.5 | 0 | 0 | 0 | 107.8 | L1082 I1106 V1108 L1114 C1117 V1119 F1175 L1178 I1192 A1218 S1222 L1223 | L1082-F1220 HydrophobicContact CD1-CB 4.44Å; L1082-F1220 HydrophobicContact CD1-CD1 4.37Å; L1082-F1220 HydrophobicContact CD1-CD2 4.34Å; L1082-F1220 HydrophobicContact CD1-CG 4.15Å; L1082-F1220 HydrophobicContact CD2-CB 4.44Å; L1082-F1220 HydrophobicContact CD2-CD2 3.85Å; L1082-F1220 HydrophobicContact CD2-CE2 4.49Å; L1082-F1220 HydrophobicContact CD2-CG 4.27Å; I1106-F1220 HydrophobicContact CD1-CE2 4.18Å; I1106-F1220 HydrophobicContact CD1-CZ 4.17Å; I1106-F1220 HydrophobicContact CG2-CE1 4.5Å; I1106-F1220 HydrophobicContact CG2-CE2 4.3Å; I1106-F1220 HydrophobicContact CG2-CZ 4.05Å; V1108-F1220 HydrophobicContact CG2-CD1 4.43Å; V1108-F1220 HydrophobicContact CG2-CE1 3.93Å; L1114-F1220 HydrophobicContact CB-CB 4.17Å; L1114-F1220 HydrophobicContact CD1-CB 3.88Å; L1114-F1220 HydrophobicContact CD1-CD1 3.98Å; L1114-F1220 HydrophobicContact CD1-CG 4.44Å; L1114-F1220 HydrophobicContact CG-CB 4.43Å; C1117-F1220 HydrophobicContact CB-CD1 3.97Å; C1117-F1220 HydrophobicContact CB-CD2 4.47Å; C1117-F1220 HydrophobicContact CB-CE1 4.18Å; C1117-F1220 HydrophobicContact CB-CG 4.11Å; C1117-F1220 HydrophobicContact CB-CZ 4.47Å; C1117-F1220 WeakPolarHBondContact SG-CD1 3.44Å; V1119-F1220 HydrophobicContact CG2-CE2 3.9Å; V1119-F1220 HydrophobicContact CG2-CZ 4.46Å; F1175-F1220 HydrophobicContact CD2-CZ 4.29Å; L1178-F1220 HydrophobicContact CD1-CD1 4.11Å; L1178-F1220 HydrophobicContact CD1-CE1 3.45Å; L1178-F1220 VanDerWaalsContact CD1-CE1 3.45Å; L1178-F1220 HydrophobicContact CD1-CZ 4.16Å; I1192-F1220 HydrophobicContact CD1-CE1 4.16Å; I1192-F1220 HydrophobicContact CD1-CZ 4.15Å; A1218-F1220 HydrophobicContact CB-CD2 4.12Å; A1218-F1220 HydrophobicContact CB-CE2 3.93Å; F1220-S1222 PolarHBondContact O-N 3.23Å; F1220-L1223 PolarHBondContact N-O 3.11Å; F1220-L1223 WeakPolarHBondContact O-CB 3.39Å; F1220-L1223 PolarHBondContact O-N 2.71Å |
| 1221 | G | 85.1 | Confident | 86.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -123.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1115 | P1115-G1221 WeakPolarHBondContact O-CA 3.08Å; P1115-G1221 PolarHBondContact O-N 3.36Å |
| 1222 | S | 81.1 | Confident | 86.7 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.6 | 174.9 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | Q1067 F1220 | Q1067-S1222 VanDerWaalsContact CD-N 3.3Å; Q1067-S1222 PolarHBondContact NE2-OG 3.08Å; F1220-S1222 PolarHBondContact O-N 3.23Å |
| 1223 | L | 84.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.7 | 178.1 | -60.6 | 177.6 | 0 | 0 | 0 | 109.8 | I1069 L1082 P1109 L1114 K1219 F1220 | I1069-L1223 HydrophobicContact CD1-CD1 3.53Å; I1069-L1223 HydrophobicContact CD1-CD2 3.82Å; I1069-L1223 HydrophobicContact CD1-CG 3.57Å; I1069-L1223 HydrophobicContact CG1-CD1 4.21Å; L1082-L1223 HydrophobicContact CB-CB 4.28Å; P1109-L1223 HydrophobicContact CG-CD1 3.71Å; L1114-L1223 HydrophobicContact CD2-CD1 4.13Å; K1219-L1223 CarbonylContact C-O 3.6Å; K1219-L1223 WeakPolarHBondContact CA-O 3.41Å; F1220-L1223 PolarHBondContact N-O 3.11Å; F1220-L1223 WeakPolarHBondContact O-CB 3.39Å; F1220-L1223 PolarHBondContact O-N 2.71Å |
| 1224 | T | 84.8 | Confident | 86.6 | Confident | 100 Ų | 100 | 42.7 Ų | 42.7 | 61% | 0.613 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | A1218 K1219 | A1218-T1224 CarbonylContact O-C 3.55Å; A1218-T1224 VanDerWaalsContact O-CA 3.28Å; A1218-T1224 WeakPolarHBondContact O-CA 3.15Å; K1219-T1224 HydrophobicContact CB-CG2 4.5Å; K1219-T1224 HydrophobicContact CG-CG2 4.28Å |
| 1225 | G | 85.5 | Confident | 86.1 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1218 | A1218-G1225 PolarHBondContact N-O 2.98Å; A1218-G1225 PolarHBondContact O-N 2.96Å |
| 1226 | I | 87.9 | Confident | 85.2 | Confident | 115 Ų | 115 | 46 Ų | 46 | 59% | 0.59 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | 175.7 | -56.7 | 174 | 0 | 0 | 0 | 107.7 | V1215 M1216 T1217 | V1215-I1226 HydrophobicContact CG1-CG2 3.64Å; M1216-I1226 WeakPolarHBondContact O-CA 3.26Å; T1217-I1226 HydrophobicContact CG2-CG1 4.17Å |
| 1227 | T | 89.5 | Confident | 84 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.8 | 170.6 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | V1084 A1086 F1104 M1216 | V1084-T1227 HydrophobicContact CB-CG2 4.08Å; V1084-T1227 HydrophobicContact CG2-CG2 4.25Å; A1086-T1227 HydrophobicContact CB-CG2 4.34Å; F1104-T1227 HydrophobicContact CD1-CG2 3.72Å; F1104-T1227 HydrophobicContact CE1-CG2 4.05Å; M1216-T1227 HydrophobicContact CB-CG2 4.07Å; M1216-T1227 HydrophobicContact CE-CG2 3.74Å; M1216-T1227 PolarHBondContact N-O 3.08Å; M1216-T1227 PolarHBondContact O-N 2.6Å |
| 1228 | E | 86.8 | Confident | 82.7 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.9 | 176.8 | 63.3 | 173.8 | -146 | 0 | 0 | 110.9 | K1213 L1214 V1215 | K1213-E1228 WeakPolarHBondContact CE-OE1 3.38Å; K1213-E1228 IonicContact NZ-OE1 2.85Å; K1213-E1228 PolarHBondContact NZ-OE1 2.99Å; K1213-E1228 IonicContact NZ-OE2 3.3Å; K1213-E1228 PolarHBondContact NZ-OE2 3.4Å; L1214-E1228 WeakPolarHBondContact O-CA 3.35Å; V1215-E1228 HydrophobicContact CG2-CB 4.12Å |
| 1229 | I | 86 | Confident | 81.8 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.6 | 174.6 | -169.5 | 157.9 | 0 | 0 | 0 | 108 | A1086 N1087 T1088 F1102 F1104 K1213 L1214 | A1086-I1229 HydrophobicContact CB-CB 3.96Å; A1086-I1229 HydrophobicContact CB-CD1 3.91Å; A1086-I1229 HydrophobicContact CB-CG1 4.45Å; N1087-I1229 VanDerWaalsContact C-CD1 3.43Å; N1087-I1229 WeakPolarHBondContact O-CD1 3.06Å; T1088-I1229 HydrophobicContact CG2-CD1 3.48Å; T1088-I1229 VanDerWaalsContact CG2-CD1 3.48Å; T1088-I1229 HydrophobicContact CG2-CG1 3.6Å; F1102-I1229 HydrophobicContact CB-CG2 4.14Å; F1102-I1229 HydrophobicContact CD1-CB 4.32Å; F1102-I1229 HydrophobicContact CD1-CD1 4.08Å; F1102-I1229 HydrophobicContact CD1-CG1 4.01Å; F1102-I1229 HydrophobicContact CD1-CG2 3.37Å; F1102-I1229 HydrophobicContact CE1-CG1 4.45Å; F1102-I1229 HydrophobicContact CE1-CG2 3.93Å; F1102-I1229 HydrophobicContact CG-CG2 3.93Å; F1104-I1229 HydrophobicContact CE1-CG2 4Å; F1104-I1229 HydrophobicContact CE2-CG2 4.46Å; F1104-I1229 HydrophobicContact CZ-CG2 3.59Å; K1213-I1229 WeakPolarHBondContact CA-O 3.39Å; L1214-I1229 HydrophobicContact CB-CG2 4.02Å; L1214-I1229 PolarHBondContact N-O 2.84Å; L1214-I1229 PolarHBondContact O-N 3.38Å |
| 1230 | S | 84.2 | Confident | 80.7 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141 | -176.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | V1212 | V1212-S1230 CarbonylContact O-C 3.42Å; V1212-S1230 VanDerWaalsContact O-CA 3.25Å; V1212-S1230 WeakPolarHBondContact O-CA 3.39Å |
| 1231 | Q | 84.3 | Confident | 80 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.4 | 171.5 | 178 | 60.9 | 62.2 | 0 | 0 | 109.4 | Y1092 R1094 F1102 I1200 K1211 V1212 | Y1092-Q1231 PolarHBondContact O-NE2 2.84Å; R1094-Q1231 HydrophobicContact CB-CG 4.23Å; R1094-Q1231 HydrophobicContact CG-CG 4.49Å; F1102-Q1231 HydrophobicContact CE1-CB 4.09Å; F1102-Q1231 HydrophobicContact CZ-CB 4.01Å; I1200-Q1231 HydrophobicContact CD1-CG 4.22Å; K1211-Q1231 WeakPolarHBondContact CA-O 3.39Å; V1212-Q1231 HydrophobicContact CG2-CB 3.88Å; V1212-Q1231 PolarHBondContact N-O 3.27Å; V1212-Q1231 PolarHBondContact O-N 2.82Å |
| 1232 | V | 83.6 | Confident | 79.4 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 38% | 0.376 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133.5 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 109 | A1093 R1094 K1211 | A1093-V1232 WeakPolarHBondContact CA-O 3.41Å; A1093-V1232 HydrophobicContact CB-CG1 4.38Å; R1094-V1232 PolarHBondContact N-O 3.24Å; R1094-V1232 VanDerWaalsContact N-O 3.09Å; K1211-V1232 HydrophobicContact CG-CG2 4.06Å |
| 1233 | I | 83.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 129.8 | -176.7 | -57.9 | -60.6 | 0 | 0 | 0 | 110.7 | R1094 I1200 V1206 N1207 G1209 S1210 V1212 R1235 | R1094-I1233 WeakPolarHBondContact O-CA 3.45Å; I1200-I1233 HydrophobicContact CD1-CD1 3.76Å; I1200-I1233 HydrophobicContact CG1-CD1 4.24Å; I1200-I1233 HydrophobicContact CG2-CD1 3.68Å; V1206-I1233 HydrophobicContact CG1-CB 4.35Å; V1206-I1233 HydrophobicContact CG1-CD1 3.93Å; V1206-I1233 HydrophobicContact CG1-CG1 3.86Å; V1206-I1233 HydrophobicContact CG1-CG2 3.65Å; N1207-I1233 WeakPolarHBondContact O-CG2 3.47Å; G1209-I1233 PolarHBondContact N-O 2.71Å; S1210-I1233 WeakPolarHBondContact O-CB 3.38Å; S1210-I1233 WeakPolarHBondContact O-CG1 3.48Å; S1210-I1233 PolarHBondContact O-N 2.83Å; V1212-I1233 HydrophobicContact CB-CD1 4.43Å; V1212-I1233 HydrophobicContact CG1-CD1 3.88Å; V1212-I1233 HydrophobicContact CG1-CG1 3.89Å; V1212-I1233 HydrophobicContact CG2-CD1 3.67Å; V1212-I1233 HydrophobicContact CG2-CG1 4.29Å; I1233-R1235 HydrophobicContact CG2-CG 4.24Å |
| 1234 | E | 80.7 | Confident | 78.7 | Confident | 111 Ų | 111 | 52.6 Ų | 52.6 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | trans | -111.8 | 123.6 | 169.6 | -178.2 | 172.1 | -168.9 | 0 | 0 | 110 | A1093 R1094 G1095 N1208 | A1093-E1234 HydrophobicContact CB-CB 3.64Å; R1094-E1234 PolarHBondContact O-N 3.32Å; G1095-E1234 VanDerWaalsContact CA-O 3.25Å; G1095-E1234 WeakPolarHBondContact CA-O 3.44Å; N1208-E1234 WeakPolarHBondContact OD1-CA 3.13Å | ||
| 1235 | R | 76.8 | Confident | 78.1 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | trans | -113 | 112.3 | 171.3 | -73.3 | -163.8 | 176.8 | -118 | -5.5 | 109.6 | P1096 D1202 V1206 N1208 I1233 G1237 E1239 | P1096-R1235 HydrophobicContact CG-CG 4.17Å; D1202-R1235 IonicContact OD1-CZ 3.77Å; D1202-R1235 IonicContact OD1-NH1 2.63Å; D1202-R1235 PolarHBondContact OD1-NH1 2.98Å; D1202-R1235 IonicContact OD1-NH2 3.29Å; D1202-R1235 PolarHBondContact OD1-NH2 3.08Å; V1206-R1235 VanDerWaalsContact O-CZ 3.26Å; V1206-R1235 PolarHBondContact O-NE 3.06Å; V1206-R1235 PolarHBondContact O-NH2 2.96Å; V1206-R1235 VanDerWaalsContact O-NH2 3.13Å; N1208-R1235 HydrophobicContact CB-CB 4.13Å; N1208-R1235 PolarHBondContact OD1-N 3.29Å; I1233-R1235 HydrophobicContact CG2-CG 4.24Å; R1235-G1237 VanDerWaalsContact C-N 3.27Å; R1235-G1237 PolarHBondContact O-N 3.27Å; R1235-E1239 WeakPolarHBondContact CA-OE1 3.22Å; R1235-E1239 VanDerWaalsContact CB-OE1 3.29Å; R1235-E1239 WeakPolarHBondContact CB-OE1 3.32Å; R1235-E1239 IonicContact NH1-OE2 2.63Å; R1235-E1239 PolarHBondContact NH1-OE2 3.38Å | ||
| 1236 | S | 71.6 | Confident | 77.5 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 56% | 0.559 | 27% | 0.266 | S | S | * | . | trans | -72.4 | -19.1 | -179.6 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | K1238 E1239 | S1236-K1238 PolarHBondContact O-N 3.26Å; S1236-K1238 PolarHBondContact OG-N 2.69Å; S1236-K1238 VanDerWaalsContact OG-N 3.08Å; S1236-E1239 PolarHBondContact N-OE1 2.93Å | ||
| 1237 | G | 66.3 | Low | 76.4 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 70.9 | -0.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1235 E1239 R1382 | R1235-G1237 VanDerWaalsContact C-N 3.27Å; R1235-G1237 PolarHBondContact O-N 3.27Å; G1237-E1239 PolarHBondContact N-OE1 3.34Å; G1237-R1382 PolarHBondContact O-NH1 3.22Å |
| 1238 | K | 65.2 | Low | 75.2 | Confident | 163 Ų | 163 | 53.5 Ų | 53.5 | 71% | 0.709 | 27% | 0.27 | S | S | * | . | trans | -95.1 | 5.5 | 171.8 | -64.8 | -176.9 | -178.9 | 176.9 | 0 | 112.7 | S1236 | S1236-K1238 PolarHBondContact O-N 3.26Å; S1236-K1238 PolarHBondContact OG-N 2.69Å; S1236-K1238 VanDerWaalsContact OG-N 3.08Å | ||
| 1239 | E | 70.8 | Confident | 73.9 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.065 | 27% | 0.273 | C | S | . | . | trans | -57.4 | 143.8 | -180 | -57 | 116.7 | -136.7 | 0 | 0 | 111.8 | R1235 S1236 G1237 S1279 L1280 | R1235-E1239 WeakPolarHBondContact CA-OE1 3.22Å; R1235-E1239 VanDerWaalsContact CB-OE1 3.29Å; R1235-E1239 WeakPolarHBondContact CB-OE1 3.32Å; R1235-E1239 IonicContact NH1-OE2 2.63Å; R1235-E1239 PolarHBondContact NH1-OE2 3.38Å; S1236-E1239 PolarHBondContact N-OE1 2.93Å; G1237-E1239 PolarHBondContact N-OE1 3.34Å; E1239-S1279 VanDerWaalsContact CA-OG 3.28Å; E1239-S1279 WeakPolarHBondContact CA-OG 3.38Å; E1239-L1280 HydrophobicContact CB-CD1 4.13Å; E1239-L1280 HydrophobicContact CB-CD2 3.81Å; E1239-L1280 HydrophobicContact CB-CG 3.71Å | ||
| 1240 | R | 68.7 | Low | 72.5 | Confident | 158 Ų | 158 | 57.3 Ų | 57.3 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | trans | -143.2 | 147.8 | -178.3 | -67 | -174.1 | -175.2 | -171 | 1 | 111.7 | S1279 L1280 | R1240-S1279 PolarHBondContact N-OG 2.85Å; R1240-S1279 PolarHBondContact O-N 3.3Å; R1240-S1279 PolarHBondContact O-OG 2.61Å; R1240-L1280 PolarHBondContact O-N 2.72Å | ||
| 1241 | T | 73 | Confident | 71.1 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | trans | -89.7 | 125.7 | 173 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | I1243 M1274 S1278 L1280 C1367 S1385 | T1241-I1243 HydrophobicContact CG2-CG2 4.44Å; T1241-M1274 HydrophobicContact CG2-CE 3.62Å; T1241-M1274 HydrophobicContact CG2-SD 4.06Å; T1241-S1278 WeakPolarHBondContact CA-OG 3.02Å; T1241-L1280 WeakPolarHBondContact CG2-O 3.47Å; T1241-L1280 WeakPolarHBondContact OG1-CB 3.31Å; T1241-C1367 WeakPolarHBondContact CG2-SG 3.12Å; T1241-S1385 WeakPolarHBondContact O-CB 3.11Å; T1241-S1385 PolarHBondContact O-OG 2.78Å | ||
| 1242 | I | 72.9 | Confident | 69.8 | Low | 48 Ų | 48 | 63.6 Ų | 63.6 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | trans | -125.4 | 100.9 | -177.2 | -53.6 | 177.3 | 0 | 0 | 0 | 110.9 | M1274 E1275 N1277 S1278 | I1242-M1274 WeakPolarHBondContact O-CE 3.38Å; I1242-E1275 HydrophobicContact CB-CB 4.27Å; I1242-E1275 HydrophobicContact CG2-CB 3.9Å; I1242-E1275 HydrophobicContact CG2-CG 3.96Å; I1242-E1275 VanDerWaalsContact O-CB 3.26Å; I1242-E1275 WeakPolarHBondContact O-CB 2.95Å; I1242-E1275 PolarHBondContact O-N 3.09Å; I1242-N1277 HydrophobicContact CD1-CB 4.47Å; I1242-N1277 WeakPolarHBondContact CD1-OD1 3.41Å; I1242-S1278 PolarHBondContact N-OG 3.28Å | ||
| 1243 | I | 76.4 | Confident | 68.1 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 158.7 | 178.6 | 61.4 | -175.2 | 0 | 0 | 0 | 111.8 | T1241 M1274 F1330 L1365 C1367 R1387 | T1241-I1243 HydrophobicContact CG2-CG2 4.44Å; I1243-M1274 HydrophobicContact CB-CE 4.07Å; I1243-M1274 HydrophobicContact CG2-CE 3.22Å; I1243-M1274 HydrophobicContact CG2-SD 3.94Å; I1243-F1330 HydrophobicContact CG2-CD1 4.01Å; I1243-F1330 HydrophobicContact CG2-CE1 3.9Å; I1243-L1365 HydrophobicContact CB-CD2 4.5Å; I1243-L1365 HydrophobicContact CD1-CB 4.41Å; I1243-L1365 HydrophobicContact CD1-CD2 3.91Å; I1243-L1365 HydrophobicContact CD1-CG 3.91Å; I1243-C1367 HydrophobicContact CD1-CB 3.94Å; I1243-C1367 HydrophobicContact CG2-CB 4.06Å; I1243-R1387 HydrophobicContact CD1-CB 4.36Å; I1243-R1387 HydrophobicContact CD1-CG 4.2Å; I1243-R1387 HydrophobicContact CG1-CB 4.27Å; I1243-R1387 HydrophobicContact CG1-CG 3.63Å; I1243-R1387 WeakPolarHBondContact O-CG 3.25Å; I1243-R1387 PolarHBondContact O-NE 3.47Å; I1243-R1387 VanDerWaalsContact O-NE 3.16Å |
| 1244 | S | 74.2 | Confident | 66.4 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.2 | 163.4 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | M1272 K1273 E1275 | S1244-M1272 WeakPolarHBondContact O-CA 3.17Å; S1244-K1273 PolarHBondContact N-O 2.93Å; S1244-K1273 PolarHBondContact O-N 3.01Å; S1244-K1273 VanDerWaalsContact OG-CE 3.24Å; S1244-K1273 WeakPolarHBondContact OG-CE 3.46Å; S1244-K1273 WeakPolarHBondContact OG-CG 3.42Å; S1244-E1275 WeakPolarHBondContact CB-OE1 3.26Å; S1244-E1275 PolarHBondContact OG-OE1 2.91Å |
| 1245 | M | 72.7 | Confident | 64.3 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 122.5 | -178.7 | 178.2 | 168.5 | 69.2 | 0 | 0 | 107.2 | L1270 K1271 M1272 L1287 I1363 L1365 V1389 | M1245-L1270 HydrophobicContact CG-CD2 4Å; M1245-L1270 HydrophobicContact SD-CD1 4.22Å; M1245-L1270 HydrophobicContact SD-CD2 4.28Å; M1245-K1271 CarbonylContact C-O 3.55Å; M1245-K1271 WeakPolarHBondContact CA-O 3.43Å; M1245-M1272 HydrophobicContact CB-CG 4.2Å; M1245-M1272 HydrophobicContact CG-CG 3.82Å; M1245-M1272 HydrophobicContact SD-CG 4.09Å; M1245-M1272 HydrophobicContact SD-SD 4.28Å; M1245-L1287 HydrophobicContact SD-CD1 4Å; M1245-I1363 HydrophobicContact CE-CB 4.32Å; M1245-I1363 HydrophobicContact CE-CG2 4.01Å; M1245-I1363 WeakPolarHBondContact CE-O 3.47Å; M1245-I1363 HydrophobicContact SD-CG2 4.06Å; M1245-L1365 HydrophobicContact CE-CB 4.12Å; M1245-L1365 HydrophobicContact SD-CB 3.88Å; M1245-V1389 HydrophobicContact CB-CG2 4.03Å; M1245-V1389 HydrophobicContact CE-CB 3.89Å; M1245-V1389 HydrophobicContact CE-CG2 3.54Å; M1245-V1389 HydrophobicContact CG-CG2 3.91Å; M1245-V1389 WeakPolarHBondContact O-CG2 3.39Å |
| 1246 | D | 71.1 | Confident | 62.6 | Low | 90 Ų | 90 | 79 Ų | 79 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.5 | -178.1 | -64.7 | -37.3 | 0 | 0 | 0 | 110.4 | K1271 | D1246-K1271 PolarHBondContact N-O 3.35Å; D1246-K1271 PolarHBondContact O-N 2.75Å |
| 1247 | L | 64.7 | Low | 61.2 | Low | 59 Ų | 59 | 81.7 Ų | 81.7 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122 | 170.5 | -178.5 | 72 | 0 | 0 | 0 | 109.3 | I1250 L1268 N1269 L1391 | L1247-I1250 HydrophobicContact CD2-CD1 4.07Å; L1247-I1250 HydrophobicContact CD2-CG1 3.94Å; L1247-L1268 HydrophobicContact CD1-CB 4.26Å; L1247-L1268 HydrophobicContact CD1-CD2 4.44Å; L1247-N1269 WeakPolarHBondContact CD1-O 3.39Å; L1247-L1391 HydrophobicContact CB-CD2 3.64Å; L1247-L1391 HydrophobicContact CD1-CB 4.37Å; L1247-L1391 HydrophobicContact CD1-CD2 3.71Å; L1247-L1391 HydrophobicContact CD2-CD2 4.32Å; L1247-L1391 WeakPolarHBondContact CD2-O 3.47Å; L1247-L1391 HydrophobicContact CG-CD2 4.07Å |
| 1248 | Q | 65.1 | Low | 60.3 | Low | 109 Ų | 109 | 88 Ų | 88 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -43.2 | 178.5 | -69.9 | -162.7 | -49.7 | 0 | 0 | 113 | N1269 K1271 | Q1248-N1269 PolarHBondContact N-O 3.01Å; Q1248-K1271 HydrophobicContact CG-CB 3.76Å; Q1248-K1271 HydrophobicContact CG-CD 4.27Å |
| 1249 | E | 59.7 | Low | 59.6 | Low | 113 Ų | 113 | 84.2 Ų | 84.2 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 147.5 | -172.4 | -129.3 | 172.9 | 168.7 | 0 | 0 | 112.7 | H1251 N1269 | E1249-H1251 VanDerWaalsContact CD-CE1 3.48Å; E1249-H1251 IonicContact OE1-CE1 3.46Å; E1249-H1251 IonicContact OE2-CE1 3.17Å; E1249-H1251 PolarHBondContact OE2-CE1 2.95Å; E1249-H1251 VanDerWaalsContact OE2-CE1 3.3Å; E1249-N1269 PolarHBondContact O-N 3Å |
| 1250 | I | 55.6 | Low | 58.8 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.3 | 174 | -55 | 175.3 | 0 | 0 | 0 | 107.6 | L1247 L1266 L1268 | L1247-I1250 HydrophobicContact CD2-CD1 4.07Å; L1247-I1250 HydrophobicContact CD2-CG1 3.94Å; I1250-L1266 HydrophobicContact CG2-CD1 3.68Å; I1250-L1266 HydrophobicContact CG2-CG 4.49Å; I1250-L1268 HydrophobicContact CD1-CD2 4.47Å; I1250-L1268 HydrophobicContact CG1-CD2 3.98Å; I1250-L1268 HydrophobicContact CG2-CD2 4.17Å |
| 1251 | H | 56.8 | Low | 58.2 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.2 | 178.1 | -82.6 | 54.9 | 0 | 0 | 0 | 110.4 | E1249 M1267 | E1249-H1251 VanDerWaalsContact CD-CE1 3.48Å; E1249-H1251 IonicContact OE1-CE1 3.46Å; E1249-H1251 IonicContact OE2-CE1 3.17Å; E1249-H1251 PolarHBondContact OE2-CE1 2.95Å; E1249-H1251 VanDerWaalsContact OE2-CE1 3.3Å; H1251-M1267 HydrophobicContact CB-CB 4.42Å; H1251-M1267 HydrophobicContact CB-CE 3.29Å; H1251-M1267 PolarHBondContact N-O 2.93Å; H1251-M1267 PolarHBondContact O-N 3.06Å |
| 1252 | K | 55 | Low | 57.4 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 47% | 0.47 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.7 | 173.3 | -66.7 | -179.2 | -179.1 | 179.7 | 0 | 109.7 | G1254 K1257 Y1260 | K1252-G1254 PolarHBondContact O-N 3.08Å; K1252-K1257 PolarHBondContact NZ-O 3.47Å; K1252-Y1260 WeakPolarHBondContact CE-OH 3.38Å |
| 1253 | V | 49.2 | Very low | 56.7 | Low | 117 Ų | 117 | 81.9 Ų | 81.9 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -90.6 | 85.4 | 168.4 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | ||
| 1254 | G | 46.6 | Very low | 56.3 | Low | 53 Ų | 53 | 84.4 Ų | 84.4 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 147.9 | 119.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1252 | K1252-G1254 PolarHBondContact O-N 3.08Š|
| 1255 | K | 36.7 | Very low | 56.1 | Low | 189 Ų | 189 | 86 Ų | 86 | 82% | 0.822 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 134.6 | -172.6 | -68.1 | -179 | 175.1 | -177.3 | 0 | 112.6 | K1257 | K1255-K1257 PolarHBondContact O-N 3.15Š|
| 1256 | D | 42.1 | Very low | 56.1 | Low | 161 Ų | 161 | 85.8 Ų | 85.8 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 35.2 | 156.8 | -54.5 | -31.6 | 0 | 0 | 0 | 119.6 | ||
| 1257 | K | 43.2 | Very low | 56.2 | Low | 137 Ų | 137 | 82.4 Ų | 82.4 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | trans | -103.7 | 118.7 | 172 | -63.6 | -168.8 | 178.6 | -177.6 | 0 | 112.7 | K1252 K1255 F1259 | K1252-K1257 PolarHBondContact NZ-O 3.47Å; K1255-K1257 PolarHBondContact O-N 3.15Å; K1257-F1259 WeakPolarHBondContact CB-O 3.5Å | ||
| 1258 | Q | 47.2 | Very low | 56.7 | Low | 148 Ų | 148 | 79.6 Ų | 79.6 | 69% | 0.692 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -71.7 | -17.5 | 169.3 | -98.3 | -179.2 | -4.5 | 0 | 0 | 112.9 | ||
| 1259 | F | 49.1 | Very low | 57.1 | Low | 84 Ų | 84 | 75 Ų | 75 | 37% | 0.368 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -127.8 | 140.8 | -176.9 | -56 | -82.6 | 0 | 0 | 0 | 110.1 | K1257 T1397 | K1257-F1259 WeakPolarHBondContact CB-O 3.5Å; F1259-T1397 WeakPolarHBondContact CD1-OG1 3.17Å; F1259-T1397 VanDerWaalsContact CG-OG1 3.32Å; F1259-T1397 WeakPolarHBondContact CG-OG1 3.48Å |
| 1260 | Y | 54.4 | Low | 58 | Low | 26 Ų | 26 | 69.7 Ų | 69.7 | 10% | 0.102 | 37% | 0.37 | C | S | . | . | trans | -92.2 | 146.8 | 178.2 | -63.3 | -88.2 | 0 | 0 | 0 | 110.1 | K1252 D1264 L1266 T1394 F1396 | K1252-Y1260 WeakPolarHBondContact CE-OH 3.38Å; Y1260-D1264 WeakPolarHBondContact CA-OD2 3.09Å; Y1260-D1264 HydrophobicContact CD1-CB 4.45Å; Y1260-L1266 HydrophobicContact CE1-CD1 3.86Å; Y1260-L1266 WeakPolarHBondContact OH-CD1 3.37Å; Y1260-T1394 HydrophobicContact CD2-CG2 4.13Å; Y1260-T1394 HydrophobicContact CE2-CG2 3.42Å; Y1260-T1394 VanDerWaalsContact CE2-CG2 3.42Å; Y1260-F1396 VanDerWaalsContact C-CE1 3.4Å; Y1260-F1396 HydrophobicContact CD2-CE2 4.22Å; Y1260-F1396 HydrophobicContact CG-CE2 4.16Å; Y1260-F1396 HydrophobicContact CG-CZ 4.02Å; Y1260-F1396 WeakPolarHBondContact O-CD1 3.37Å; Y1260-F1396 VanDerWaalsContact O-CE1 3.26Å; Y1260-F1396 WeakPolarHBondContact O-CE1 3.11Å | ||
| 1261 | G | 55.8 | Low | 59 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | trans | -114.7 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1263 D1264 | G1261-G1263 PolarHBondContact O-N 3.16Å; G1261-D1264 PolarHBondContact N-OD2 2.8Å; G1261-D1264 PolarHBondContact O-N 3.33Å | ||
| 1262 | D | 56.1 | Low | 60.1 | Low | 93 Ų | 93 | 64.8 Ų | 64.8 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 127.6 | 172.5 | -76.6 | -18.3 | 0 | 0 | 0 | 111 | D1346 I1348 | D1262-D1346 WeakPolarHBondContact CB-O 3.39Å; D1262-I1348 WeakPolarHBondContact OD1-CB 3.48Å; D1262-I1348 WeakPolarHBondContact OD1-CG1 3.48Å; D1262-I1348 PolarHBondContact OD1-N 2.91Å |
| 1263 | G | 59.8 | Low | 61.3 | Low | 37 Ų | 37 | 62.7 Ų | 62.7 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 1.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G1261 K1345 | G1261-G1263 PolarHBondContact O-N 3.16Å; G1263-K1345 PolarHBondContact N-O 3.25Å |
| 1264 | D | 66.5 | Low | 62.7 | Low | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | trans | -70 | 156.8 | 179.5 | -75.7 | -20.7 | 0 | 0 | 0 | 113.2 | Y1260 G1261 F1344 | Y1260-D1264 WeakPolarHBondContact CA-OD2 3.09Å; Y1260-D1264 HydrophobicContact CD1-CB 4.45Å; G1261-D1264 PolarHBondContact N-OD2 2.8Å; G1261-D1264 PolarHBondContact O-N 3.33Å; D1264-F1344 WeakPolarHBondContact O-CD2 3.47Å; D1264-F1344 PolarHBondContact O-N 2.88Å | ||
| 1265 | V | 71.5 | Confident | 64.1 | Low | 49 Ų | 49 | 57.1 Ų | 57.1 | 30% | 0.297 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.8 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | Y1341 V1342 H1343 | V1265-Y1341 HydrophobicContact CG1-CD1 4.32Å; V1265-V1342 WeakPolarHBondContact CA-O 3.21Å; V1265-H1343 WeakPolarHBondContact CG2-ND1 2.95Å |
| 1266 | L | 72.3 | Confident | 65.7 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.1 | 178.1 | -177.7 | 73.9 | 0 | 0 | 0 | 110.6 | I1250 Y1260 L1268 Y1341 V1342 F1344 A1392 | I1250-L1266 HydrophobicContact CG2-CD1 3.68Å; I1250-L1266 HydrophobicContact CG2-CG 4.49Å; Y1260-L1266 HydrophobicContact CE1-CD1 3.86Å; Y1260-L1266 WeakPolarHBondContact OH-CD1 3.37Å; L1266-L1268 HydrophobicContact CD2-CD1 4.5Å; L1266-L1268 HydrophobicContact CD2-CD2 3.92Å; L1266-L1268 HydrophobicContact CD2-CG 4.31Å; L1266-L1268 HydrophobicContact CG-CD2 4.07Å; L1266-L1268 HydrophobicContact CG-CG 4.35Å; L1266-Y1341 CarbonylContact O-C 3.59Å; L1266-Y1341 WeakPolarHBondContact O-CA 3.25Å; L1266-V1342 HydrophobicContact CB-CB 4.25Å; L1266-V1342 PolarHBondContact N-O 3.49Å; L1266-V1342 PolarHBondContact O-N 2.78Å; L1266-F1344 HydrophobicContact CB-CE2 4.1Å; L1266-A1392 HydrophobicContact CD2-CB 3.81Å |
| 1267 | M | 73 | Confident | 67.2 | Low | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.4 | 176.3 | -171.7 | 176.9 | 65.9 | 0 | 0 | 111.2 | H1251 K1339 I1340 Y1341 | H1251-M1267 HydrophobicContact CB-CB 4.42Å; H1251-M1267 HydrophobicContact CB-CE 3.29Å; H1251-M1267 PolarHBondContact N-O 2.93Å; H1251-M1267 PolarHBondContact O-N 3.06Å; M1267-K1339 HydrophobicContact CG-CG 4.3Å; M1267-K1339 HydrophobicContact SD-CD 3.74Å; M1267-K1339 HydrophobicContact SD-CG 4.06Å; M1267-I1340 CarbonylContact C-O 3.57Å; M1267-I1340 WeakPolarHBondContact CA-O 3.4Å; M1267-Y1341 HydrophobicContact CB-CD1 4.1Å; M1267-Y1341 HydrophobicContact CB-CE1 4.12Å; M1267-Y1341 HydrophobicContact CG-CD1 3.98Å; M1267-Y1341 HydrophobicContact CG-CE1 3.64Å; M1267-Y1341 HydrophobicContact SD-CD1 4.38Å; M1267-Y1341 HydrophobicContact SD-CE1 3.47Å; M1267-Y1341 WeakPolarHBondContact SD-CE1 3.41Å |
| 1268 | L | 74.2 | Confident | 68.9 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130 | -178.7 | -55.1 | 169.4 | 0 | 0 | 0 | 110.4 | L1247 I1250 L1266 K1339 I1340 V1342 L1391 A1392 | L1247-L1268 HydrophobicContact CD1-CB 4.26Å; L1247-L1268 HydrophobicContact CD1-CD2 4.44Å; I1250-L1268 HydrophobicContact CD1-CD2 4.47Å; I1250-L1268 HydrophobicContact CG1-CD2 3.98Å; I1250-L1268 HydrophobicContact CG2-CD2 4.17Å; L1266-L1268 HydrophobicContact CD2-CD1 4.5Å; L1266-L1268 HydrophobicContact CD2-CD2 3.92Å; L1266-L1268 HydrophobicContact CD2-CG 4.31Å; L1266-L1268 HydrophobicContact CG-CD2 4.07Å; L1266-L1268 HydrophobicContact CG-CG 4.35Å; L1268-K1339 CarbonylContact O-C 3.57Å; L1268-K1339 WeakPolarHBondContact O-CA 3.43Å; L1268-I1340 HydrophobicContact CB-CB 4.26Å; L1268-I1340 PolarHBondContact N-O 3.13Å; L1268-I1340 PolarHBondContact O-N 2.81Å; L1268-V1342 HydrophobicContact CD1-CG2 3.92Å; L1268-L1391 HydrophobicContact CD1-CB 4.05Å; L1268-L1391 HydrophobicContact CD1-CD1 4.18Å; L1268-A1392 HydrophobicContact CD2-CB 4.17Å |
| 1269 | N | 75 | Confident | 70.4 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.1 | 174.8 | -68 | -26.2 | 0 | 0 | 0 | 110.5 | L1247 Q1248 E1249 K1339 | L1247-N1269 WeakPolarHBondContact CD1-O 3.39Å; Q1248-N1269 PolarHBondContact N-O 3.01Å; E1249-N1269 PolarHBondContact O-N 3Å; N1269-K1339 WeakPolarHBondContact OD1-CG 3.21Å |
| 1270 | L | 77.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.5 | 173.4 | -78.9 | 178.7 | 0 | 0 | 0 | 111.2 | M1245 L1287 S1337 V1338 I1340 I1363 L1391 | M1245-L1270 HydrophobicContact CG-CD2 4Å; M1245-L1270 HydrophobicContact SD-CD1 4.22Å; M1245-L1270 HydrophobicContact SD-CD2 4.28Å; L1270-L1287 HydrophobicContact CD1-CD2 4.46Å; L1270-S1337 CarbonylContact O-C 3.5Å; L1270-S1337 WeakPolarHBondContact O-CA 2.79Å; L1270-V1338 HydrophobicContact CB-CB 4.45Å; L1270-V1338 PolarHBondContact N-O 3.01Å; L1270-V1338 PolarHBondContact O-N 2.84Å; L1270-I1340 HydrophobicContact CD1-CD1 3.26Å; L1270-I1340 HydrophobicContact CD1-CG1 4.35Å; L1270-I1340 HydrophobicContact CG-CD1 4.03Å; L1270-I1363 HydrophobicContact CD1-CD1 4.03Å; L1270-I1363 HydrophobicContact CD1-CG2 4.14Å; L1270-L1391 HydrophobicContact CD1-CD1 4.31Å; L1270-L1391 HydrophobicContact CD2-CD1 3.75Å; L1270-L1391 HydrophobicContact CD2-CD2 3.37Å; L1270-L1391 HydrophobicContact CD2-CG 4.22Å; L1270-L1391 HydrophobicContact CG-CD1 4.15Å; L1270-L1391 HydrophobicContact CG-CD2 4.46Å |
| 1271 | K | 77.4 | Confident | 73 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 21% | 0.213 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.2 | 166.6 | 174.5 | 171 | 156.6 | 148.1 | 0 | 109.3 | M1245 D1246 Q1248 E1335 I1336 | M1245-K1271 CarbonylContact C-O 3.55Å; M1245-K1271 WeakPolarHBondContact CA-O 3.43Å; D1246-K1271 PolarHBondContact N-O 3.35Å; D1246-K1271 PolarHBondContact O-N 2.75Å; Q1248-K1271 HydrophobicContact CG-CB 3.76Å; Q1248-K1271 HydrophobicContact CG-CD 4.27Å; K1271-E1335 HydrophobicContact CD-CG 4.24Å; K1271-E1335 VanDerWaalsContact CD-OE1 3.25Å; K1271-E1335 WeakPolarHBondContact CD-OE1 3.38Å; K1271-E1335 WeakPolarHBondContact CE-OE1 3.26Å; K1271-E1335 WeakPolarHBondContact CE-OE2 3.34Å; K1271-E1335 HydrophobicContact CG-CG 3.96Å; K1271-E1335 IonicContact NZ-OE1 3.59Å; K1271-E1335 PolarHBondContact NZ-OE1 3.16Å; K1271-E1335 IonicContact NZ-OE2 3.06Å; K1271-E1335 PolarHBondContact NZ-OE2 3.33Å; K1271-I1336 WeakPolarHBondContact CA-O 3.33Å |
| 1272 | M | 79.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.9 | 177.5 | -58.1 | 171.2 | -57.3 | 0 | 0 | 108.8 | S1244 M1245 L1287 Y1311 F1330 E1335 I1336 V1338 L1365 | S1244-M1272 WeakPolarHBondContact O-CA 3.17Å; M1245-M1272 HydrophobicContact CB-CG 4.2Å; M1245-M1272 HydrophobicContact CG-CG 3.82Å; M1245-M1272 HydrophobicContact SD-CG 4.09Å; M1245-M1272 HydrophobicContact SD-SD 4.28Å; M1272-L1287 HydrophobicContact SD-CD1 3.99Å; M1272-Y1311 HydrophobicContact CE-CE2 4.42Å; M1272-Y1311 VanDerWaalsContact CE-OH 3.23Å; M1272-Y1311 WeakPolarHBondContact CE-OH 3.29Å; M1272-F1330 HydrophobicContact CB-CZ 4.28Å; M1272-E1335 CarbonylContact O-C 3.56Å; M1272-E1335 WeakPolarHBondContact O-CA 3.16Å; M1272-I1336 HydrophobicContact CE-CB 3.9Å; M1272-I1336 HydrophobicContact CE-CG2 3.8Å; M1272-I1336 PolarHBondContact N-O 2.76Å; M1272-I1336 PolarHBondContact O-N 2.86Å; M1272-V1338 HydrophobicContact CE-CG2 3.49Å; M1272-V1338 VanDerWaalsContact CE-CG2 3.49Å; M1272-L1365 HydrophobicContact CB-CD2 4.14Å; M1272-L1365 HydrophobicContact CG-CD2 4.06Å; M1272-L1365 HydrophobicContact SD-CD1 3.92Å; M1272-L1365 HydrophobicContact SD-CD2 3.95Å; M1272-L1365 HydrophobicContact SD-CG 4.45Å |
| 1273 | K | 80.5 | Confident | 74.6 | Confident | 63 Ų | 63 | 33 Ų | 33 | 27% | 0.274 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 152.5 | 175.4 | 63.9 | 173.8 | 165.5 | 124.8 | 0 | 112.8 | S1244 E1275 F1330 N1334 E1335 | S1244-K1273 PolarHBondContact N-O 2.93Å; S1244-K1273 PolarHBondContact O-N 3.01Å; S1244-K1273 VanDerWaalsContact OG-CE 3.24Å; S1244-K1273 WeakPolarHBondContact OG-CE 3.46Å; S1244-K1273 WeakPolarHBondContact OG-CG 3.42Å; K1273-E1275 WeakPolarHBondContact CE-OE1 3.42Å; K1273-E1275 IonicContact NZ-OE1 3.13Å; K1273-E1275 PolarHBondContact NZ-OE1 2.75Å; K1273-E1275 IonicContact NZ-OE2 3.95Å; K1273-E1275 PolarHBondContact NZ-OE2 2.84Å; K1273-F1330 VanDerWaalsContact C-CZ 3.46Å; K1273-N1334 WeakPolarHBondContact CA-O 3.05Å; K1273-E1335 HydrophobicContact CB-CG 4.4Å |
| 1274 | M | 77.9 | Confident | 75.2 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.3 | 165.5 | -161.7 | 74.8 | -93.4 | 0 | 0 | 108.1 | T1241 I1242 I1243 S1278 F1330 R1331 F1332 N1334 | T1241-M1274 HydrophobicContact CG2-CE 3.62Å; T1241-M1274 HydrophobicContact CG2-SD 4.06Å; I1242-M1274 WeakPolarHBondContact O-CE 3.38Å; I1243-M1274 HydrophobicContact CB-CE 4.07Å; I1243-M1274 HydrophobicContact CG2-CE 3.22Å; I1243-M1274 HydrophobicContact CG2-SD 3.94Å; M1274-S1278 WeakPolarHBondContact CE-OG 3.38Å; M1274-F1330 HydrophobicContact CB-CE1 4.23Å; M1274-F1330 HydrophobicContact CB-CZ 4.49Å; M1274-F1330 HydrophobicContact SD-CD1 4.04Å; M1274-F1330 HydrophobicContact SD-CE1 4.36Å; M1274-R1331 WeakPolarHBondContact CB-O 3.49Å; M1274-F1332 HydrophobicContact CG-CD1 4Å; M1274-N1334 PolarHBondContact N-O 2.52Å |
| 1275 | E | 75.6 | Confident | 75.6 | Confident | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | trans | -68.9 | 150.1 | -177.1 | -69.1 | -64.6 | 161.4 | 0 | 0 | 112 | I1242 S1244 K1273 N1277 S1278 | I1242-E1275 HydrophobicContact CB-CB 4.27Å; I1242-E1275 HydrophobicContact CG2-CB 3.9Å; I1242-E1275 HydrophobicContact CG2-CG 3.96Å; I1242-E1275 VanDerWaalsContact O-CB 3.26Å; I1242-E1275 WeakPolarHBondContact O-CB 2.95Å; I1242-E1275 PolarHBondContact O-N 3.09Å; S1244-E1275 WeakPolarHBondContact CB-OE1 3.26Å; S1244-E1275 PolarHBondContact OG-OE1 2.91Å; K1273-E1275 WeakPolarHBondContact CE-OE1 3.42Å; K1273-E1275 IonicContact NZ-OE1 3.13Å; K1273-E1275 PolarHBondContact NZ-OE1 2.75Å; K1273-E1275 IonicContact NZ-OE2 3.95Å; K1273-E1275 PolarHBondContact NZ-OE2 2.84Å; E1275-N1277 WeakPolarHBondContact CB-OD1 3.23Å; E1275-N1277 PolarHBondContact O-N 3.33Å; E1275-N1277 VanDerWaalsContact O-N 3.16Å; E1275-S1278 VanDerWaalsContact O-CB 3.25Å; E1275-S1278 WeakPolarHBondContact O-CB 3.25Å; E1275-S1278 PolarHBondContact O-N 2.89Å | ||
| 1276 | Q | 70.6 | Confident | 75.8 | Confident | 159 Ų | 159 | 35 Ų | 35 | 74% | 0.743 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.5 | -177.1 | -70.2 | -178.3 | -13.8 | 0 | 0 | 113.8 | ||
| 1277 | N | 74.3 | Confident | 76.1 | Confident | 111 Ų | 111 | 34.9 Ų | 34.9 | 59% | 0.594 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.6 | 179.2 | 64.2 | -10 | 0 | 0 | 0 | 113.8 | I1242 E1275 | I1242-N1277 HydrophobicContact CD1-CB 4.47Å; I1242-N1277 WeakPolarHBondContact CD1-OD1 3.41Å; E1275-N1277 WeakPolarHBondContact CB-OD1 3.23Å; E1275-N1277 PolarHBondContact O-N 3.33Å; E1275-N1277 VanDerWaalsContact O-N 3.16Å |
| 1278 | S | 79.2 | Confident | 76.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | trans | -69.9 | 133.4 | 174.1 | -166.5 | 0 | 0 | 0 | 0 | 110.6 | T1241 I1242 M1274 E1275 L1280 F1332 | T1241-S1278 WeakPolarHBondContact CA-OG 3.02Å; I1242-S1278 PolarHBondContact N-OG 3.28Å; M1274-S1278 WeakPolarHBondContact CE-OG 3.38Å; E1275-S1278 VanDerWaalsContact O-CB 3.25Å; E1275-S1278 WeakPolarHBondContact O-CB 3.25Å; E1275-S1278 PolarHBondContact O-N 2.89Å; S1278-L1280 PolarHBondContact OG-O 2.8Å; S1278-F1332 VanDerWaalsContact O-CE1 3.31Å; S1278-F1332 WeakPolarHBondContact O-CE1 3.37Å | ||
| 1279 | S | 77.9 | Confident | 76.3 | Confident | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 17% | 0.17 | C | C | . | . | trans | -108.4 | 1.8 | 177.7 | 39.1 | 0 | 0 | 0 | 0 | 113.2 | P1096 E1239 R1240 | P1096-S1279 WeakPolarHBondContact O-CA 3.44Å; E1239-S1279 VanDerWaalsContact CA-OG 3.28Å; E1239-S1279 WeakPolarHBondContact CA-OG 3.38Å; R1240-S1279 PolarHBondContact N-OG 2.85Å; R1240-S1279 PolarHBondContact O-N 3.3Å; R1240-S1279 PolarHBondContact O-OG 2.61Å | ||
| 1280 | L | 79.3 | Confident | 76.1 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -135.5 | 148.6 | 175 | -67.4 | 176.1 | 0 | 0 | 0 | 110.6 | D1202 E1239 R1240 T1241 S1278 F1332 | D1202-L1280 WeakPolarHBondContact OD2-CA 3.37Å; D1202-L1280 WeakPolarHBondContact OD2-CD2 3.22Å; E1239-L1280 HydrophobicContact CB-CD1 4.13Å; E1239-L1280 HydrophobicContact CB-CD2 3.81Å; E1239-L1280 HydrophobicContact CB-CG 3.71Å; R1240-L1280 PolarHBondContact O-N 2.72Å; T1241-L1280 WeakPolarHBondContact CG2-O 3.47Å; T1241-L1280 WeakPolarHBondContact OG1-CB 3.31Å; S1278-L1280 PolarHBondContact OG-O 2.8Å; L1280-F1332 WeakPolarHBondContact O-CE1 3.39Å |
| 1281 | E | 79.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -99.1 | 160.3 | 174.7 | -64.2 | -179.5 | 141.2 | 0 | 0 | 111.5 | Q1167 D1202 R1331 F1332 S1369 | Q1167-E1281 PolarHBondContact NE2-OE1 2.83Å; Q1167-E1281 PolarHBondContact NE2-OE2 2.91Å; D1202-E1281 HydrophobicContact CB-CB 3.93Å; D1202-E1281 HydrophobicContact CB-CG 3.71Å; D1202-E1281 PolarHBondContact N-OE2 2.9Å; D1202-E1281 PolarHBondContact OD2-N 2.84Å; E1281-R1331 VanDerWaalsContact CD-CD 3.43Å; E1281-R1331 WeakPolarHBondContact OE1-CB 3.37Å; E1281-R1331 WeakPolarHBondContact OE2-CD 3.32Å; E1281-R1331 IonicContact OE2-CZ 2.72Å; E1281-R1331 IonicContact OE2-NE 3.28Å; E1281-R1331 IonicContact OE2-NH1 2.75Å; E1281-R1331 PolarHBondContact OE2-NH1 2.97Å; E1281-F1332 HydrophobicContact CG-CD1 3.87Å; E1281-F1332 HydrophobicContact CG-CD2 3.55Å; E1281-F1332 HydrophobicContact CG-CE1 3.76Å; E1281-F1332 HydrophobicContact CG-CE2 3.45Å; E1281-F1332 VanDerWaalsContact CG-CE2 3.45Å; E1281-F1332 HydrophobicContact CG-CG 3.77Å; E1281-F1332 HydrophobicContact CG-CZ 3.56Å; E1281-F1332 VanDerWaalsContact OE1-CD2 3.22Å; E1281-F1332 WeakPolarHBondContact OE1-CD2 3.49Å; E1281-F1332 PolarHBondContact OE1-N 2.91Å; E1281-S1369 WeakPolarHBondContact O-CA 3.19Å; E1281-S1369 WeakPolarHBondContact O-CB 3.38Å | ||
| 1282 | C | 75.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121.6 | 174.5 | -43.5 | 0 | 0 | 0 | 0 | 110.5 | R1284 S1329 F1330 C1367 | C1282-R1284 VanDerWaalsContact C-N 3.29Å; C1282-S1329 CarbonylContact O-C 3.48Å; C1282-S1329 VanDerWaalsContact O-CA 3.26Å; C1282-S1329 WeakPolarHBondContact O-CA 3.41Å; C1282-F1330 HydrophobicContact CB-CB 3.73Å; C1282-F1330 PolarHBondContact N-O 2.84Å; C1282-F1330 PolarHBondContact O-N 3.18Å; C1282-C1367 HydrophobicContact CB-CB 4.03Å; C1282-C1367 WeakPolarHBondContact CB-SG 3.47Å; C1282-C1367 WeakPolarHBondContact SG-CB 2.98Å; C1282-C1367 CovalentContact SG-SG 2Å; C1282-C1367 PolarHBondContact SG-SG 2.86Å |
| 1283 | S | 71.2 | Confident | 73.9 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -36.4 | 169.2 | 66.7 | 0 | 0 | 0 | 0 | 112 | I1368 T1370 | S1283-I1368 PolarHBondContact N-O 2.86Å; S1283-I1368 PolarHBondContact OG-O 2.88Å; S1283-T1370 WeakPolarHBondContact CB-OG1 3.22Å |
| 1284 | R | 70.7 | Confident | 73.1 | Confident | 149 Ų | 149 | 38.4 Ų | 38.4 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.9 | 179.7 | 60.7 | -171.7 | 175.5 | 174.9 | 1.2 | 108.9 | C1282 I1368 | C1282-R1284 VanDerWaalsContact C-N 3.29Å; R1284-I1368 HydrophobicContact CG-CB 3.79Å; R1284-I1368 HydrophobicContact CG-CD1 4.17Å; R1284-I1368 HydrophobicContact CG-CG1 4.4Å; R1284-I1368 HydrophobicContact CG-CG2 4.42Å; R1284-I1368 PolarHBondContact N-O 2.82Å; R1284-I1368 PolarHBondContact O-N 3.07Å |
| 1285 | H | 76.6 | Confident | 72.6 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.8 | 171.1 | 68.6 | -81.1 | 0 | 0 | 0 | 110.9 | Y1311 G1327 G1328 L1365 V1366 | H1285-Y1311 AromaticContact CD2-CE1 3.77Å; H1285-Y1311 AromaticContact CD2-CZ 3.9Å; H1285-Y1311 PolarHBondContact CD2-OH 2.95Å; H1285-Y1311 AromaticContact NE2-CE1 3.41Å; H1285-Y1311 WeakPolarHBondContact NE2-CE1 3.24Å; H1285-Y1311 AromaticContact NE2-CZ 3.34Å; H1285-Y1311 VanDerWaalsContact NE2-CZ 3.34Å; H1285-Y1311 PolarHBondContact NE2-OH 2.88Å; H1285-G1327 VanDerWaalsContact CE1-C 3.48Å; H1285-G1327 VanDerWaalsContact CE1-CA 3.47Å; H1285-G1327 WeakPolarHBondContact CE1-CA 3.38Å; H1285-G1327 PolarHBondContact O-N 3.25Å; H1285-G1328 PolarHBondContact CE1-O 3.04Å; H1285-G1328 PolarHBondContact N-O 3.31Å; H1285-G1328 PolarHBondContact ND1-O 3.45Å; H1285-L1365 HydrophobicContact CB-CD1 4.4Å; H1285-V1366 CarbonylContact C-O 3.52Å; H1285-V1366 WeakPolarHBondContact CA-O 3.34Å |
| 1286 | T | 74.6 | Confident | 72.4 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.3 | -179.6 | 19 | 0 | 0 | 0 | 0 | 108.2 | I1324 F1325 K1326 V1366 | T1286-I1324 HydrophobicContact CG2-CG2 3.91Å; T1286-F1325 WeakPolarHBondContact CA-O 3.46Å; T1286-K1326 HydrophobicContact CG2-CB 4.48Å; T1286-K1326 HydrophobicContact CG2-CG 3.6Å; T1286-V1366 PolarHBondContact N-O 2.96Å; T1286-V1366 PolarHBondContact O-N 3.11Å; T1286-V1366 PolarHBondContact OG1-O 3.05Å |
| 1287 | L | 79.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.5 | 170.3 | -169.8 | 75 | 0 | 0 | 0 | 107.2 | M1245 L1270 M1272 I1289 Y1311 F1325 I1340 I1363 L1365 | M1245-L1287 HydrophobicContact SD-CD1 4Å; L1270-L1287 HydrophobicContact CD1-CD2 4.46Å; M1272-L1287 HydrophobicContact SD-CD1 3.99Å; L1287-I1289 HydrophobicContact CD2-CD1 4.42Å; L1287-I1289 HydrophobicContact CG-CG1 4.44Å; L1287-Y1311 HydrophobicContact CB-CE1 4.01Å; L1287-F1325 HydrophobicContact CB-CB 4.17Å; L1287-F1325 PolarHBondContact N-O 3.24Å; L1287-F1325 PolarHBondContact O-N 2.89Å; L1287-I1340 HydrophobicContact CD2-CD1 4.28Å; L1287-I1363 HydrophobicContact CD1-CG2 3.32Å; L1287-I1363 HydrophobicContact CD2-CG2 4.35Å; L1287-I1363 HydrophobicContact CG-CG2 3.75Å; L1287-L1365 HydrophobicContact CD1-CB 4.27Å; L1287-L1365 HydrophobicContact CD1-CD1 4.2Å |
| 1288 | N | 75.7 | Confident | 72.8 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.9 | 177.3 | -59.1 | -33.3 | 0 | 0 | 0 | 108 | Y1290 P1322 I1363 E1364 | N1288-Y1290 HydrophobicContact CB-CE2 3.83Å; N1288-P1322 HydrophobicContact CB-CB 4.2Å; N1288-I1363 WeakPolarHBondContact O-CA 3.08Å; N1288-E1364 HydrophobicContact CB-CB 4.26Å; N1288-E1364 PolarHBondContact N-O 3.42Å; N1288-E1364 PolarHBondContact ND2-OE2 3.01Å; N1288-E1364 PolarHBondContact O-N 2.8Å |
| 1289 | I | 75.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.6 | 174.7 | -51.6 | -173.3 | 0 | 0 | 0 | 107.5 | L1287 P1291 V1298 P1322 F1323 F1325 I1340 V1361 I1363 | L1287-I1289 HydrophobicContact CD2-CD1 4.42Å; L1287-I1289 HydrophobicContact CG-CG1 4.44Å; I1289-P1291 WeakPolarHBondContact O-CD 3.21Å; I1289-V1298 HydrophobicContact CD1-CG1 3.66Å; I1289-V1298 HydrophobicContact CG2-CG1 4.15Å; I1289-V1298 HydrophobicContact CG2-CG2 4.23Å; I1289-P1322 CarbonylContact O-C 3.58Å; I1289-P1322 WeakPolarHBondContact O-CA 3.42Å; I1289-P1322 WeakPolarHBondContact O-CB 3.34Å; I1289-F1323 HydrophobicContact CB-CB 4.33Å; I1289-F1323 PolarHBondContact N-O 2.88Å; I1289-F1323 PolarHBondContact O-N 3.44Å; I1289-F1325 HydrophobicContact CB-CE2 4.36Å; I1289-F1325 HydrophobicContact CD1-CD2 3.89Å; I1289-F1325 HydrophobicContact CD1-CE2 3.45Å; I1289-F1325 VanDerWaalsContact CD1-CE2 3.45Å; I1289-F1325 HydrophobicContact CD1-CZ 4.23Å; I1289-F1325 HydrophobicContact CG1-CD2 3.98Å; I1289-F1325 HydrophobicContact CG1-CE2 3.82Å; I1289-I1340 HydrophobicContact CD1-CD1 3.74Å; I1289-I1340 HydrophobicContact CD1-CG1 4.36Å; I1289-I1340 HydrophobicContact CD1-CG2 3.94Å; I1289-V1361 HydrophobicContact CG2-CG1 4.02Å; I1289-I1363 HydrophobicContact CB-CD1 4.36Å; I1289-I1363 HydrophobicContact CB-CG1 4.34Å; I1289-I1363 HydrophobicContact CD1-CD1 3.77Å; I1289-I1363 HydrophobicContact CG1-CD1 3.74Å; I1289-I1363 HydrophobicContact CG1-CG1 4.06Å; I1289-I1363 HydrophobicContact CG1-CG2 4.35Å; I1289-I1363 HydrophobicContact CG2-CD1 3.99Å; I1289-I1363 HydrophobicContact CG2-CG1 3.98Å |
| 1290 | Y | 70.1 | Confident | 72.3 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 28% | 0.275 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 99.4 | 177.6 | -60.9 | -92.7 | 0 | 0 | 0 | 108.6 | N1288 P1322 V1362 E1364 I1583 | N1288-Y1290 HydrophobicContact CB-CE2 3.83Å; Y1290-P1322 HydrophobicContact CD1-CB 3.67Å; Y1290-P1322 HydrophobicContact CD1-CG 4.13Å; Y1290-P1322 HydrophobicContact CE1-CB 3.68Å; Y1290-P1322 HydrophobicContact CE1-CG 3.72Å; Y1290-P1322 HydrophobicContact CG-CB 4.12Å; Y1290-V1362 HydrophobicContact CD2-CG1 4.47Å; Y1290-V1362 PolarHBondContact N-O 2.86Å; Y1290-E1364 HydrophobicContact CE2-CB 3.79Å; Y1290-E1364 PolarHBondContact OH-OE2 3.47Å; Y1290-I1583 HydrophobicContact CG-CD1 4.16Å |
| 1291 | P | 64.5 | Low | 71.8 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | trans | -71 | 139.2 | 179.6 | 32.9 | -39.1 | 0 | 0 | 0 | 110.7 | I1289 V1295 V1298 F1323 | I1289-P1291 WeakPolarHBondContact O-CD 3.21Å; P1291-V1295 HydrophobicContact CB-CB 3.84Å; P1291-V1295 HydrophobicContact CB-CG1 3.84Å; P1291-V1295 HydrophobicContact CB-CG2 4.48Å; P1291-V1298 HydrophobicContact CB-CG2 4.42Å; P1291-F1323 HydrophobicContact CB-CD2 3.86Å; P1291-F1323 HydrophobicContact CB-CE2 3.56Å; P1291-F1323 HydrophobicContact CG-CD2 3.53Å; P1291-F1323 HydrophobicContact CG-CE2 3.37Å; P1291-F1323 HydrophobicContact CG-CZ 4.45Å | ||
| 1292 | G | 62.8 | Low | 70.9 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | trans | -66.1 | 165.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112 | S1294 V1295 | G1292-S1294 PolarHBondContact O-N 2.81Å; G1292-S1294 VanDerWaalsContact O-N 3.07Å; G1292-V1295 WeakPolarHBondContact O-CB 3.41Å; G1292-V1295 PolarHBondContact O-N 2.95Å | ||
| 1293 | V | 61.5 | Low | 69.8 | Low | 77 Ų | 77 | 41.8 Ų | 41.8 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.6 | -175.2 | -153.2 | 0 | 0 | 0 | 0 | 113.4 | K1345 R1584 | V1293-K1345 WeakPolarHBondContact O-CE 3.32Å; V1293-K1345 PolarHBondContact O-NZ 3.21Å; V1293-R1584 HydrophobicContact CG2-CG 3.56Å |
| 1294 | S | 62.9 | Low | 69.2 | Low | 11 Ų | 11 | 45.5 Ų | 45.5 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.6 | -177.5 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | G1292 K1345 Y1359 | G1292-S1294 PolarHBondContact O-N 2.81Å; G1292-S1294 VanDerWaalsContact O-N 3.07Å; S1294-K1345 PolarHBondContact O-N 3.28Å; S1294-Y1359 WeakPolarHBondContact OG-CE1 3.14Å; S1294-Y1359 PolarHBondContact OG-OH 3.2Å |
| 1295 | V | 68 | Low | 68.2 | Low | 12 Ų | 12 | 44.6 Ų | 44.6 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | P1291 G1292 N1297 V1298 V1342 H1343 F1344 | P1291-V1295 HydrophobicContact CB-CB 3.84Å; P1291-V1295 HydrophobicContact CB-CG1 3.84Å; P1291-V1295 HydrophobicContact CB-CG2 4.48Å; G1292-V1295 WeakPolarHBondContact O-CB 3.41Å; G1292-V1295 PolarHBondContact O-N 2.95Å; V1295-N1297 WeakPolarHBondContact CG1-O 3.25Å; V1295-V1298 HydrophobicContact CG1-CG2 3.65Å; V1295-V1342 HydrophobicContact CB-CG1 4.31Å; V1295-V1342 HydrophobicContact CG1-CG1 3.67Å; V1295-V1342 HydrophobicContact CG2-CG1 3.64Å; V1295-H1343 CarbonylContact C-O 3.53Å; V1295-F1344 HydrophobicContact CG2-CD1 4.17Å; V1295-F1344 HydrophobicContact CG2-CE1 3.98Å |
| 1296 | E | 71.8 | Confident | 66.6 | Low | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -49.8 | 177.1 | -174.6 | 171.3 | 176.8 | 0 | 0 | 111.1 | H1343 K1345 | E1296-H1343 PolarHBondContact N-O 2.88Å; E1296-K1345 HydrophobicContact CB-CG 3.69Å; E1296-K1345 HydrophobicContact CG-CG 4.36Å |
| 1297 | N | 77.8 | Confident | 65.4 | Low | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.8 | -179.4 | -168.3 | 31.7 | 0 | 0 | 0 | 111.1 | V1295 D1299 H1343 | V1295-N1297 WeakPolarHBondContact CG1-O 3.25Å; N1297-D1299 PolarHBondContact ND2-OD1 2.92Å; N1297-H1343 HydrophobicContact CB-CB 4.32Å; N1297-H1343 PolarHBondContact N-O 3.41Å; N1297-H1343 PolarHBondContact O-N 3.24Å |
| 1298 | V | 75.1 | Confident | 63.8 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.8 | 168.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | I1289 P1291 V1295 F1323 I1340 Y1341 V1342 | I1289-V1298 HydrophobicContact CD1-CG1 3.66Å; I1289-V1298 HydrophobicContact CG2-CG1 4.15Å; I1289-V1298 HydrophobicContact CG2-CG2 4.23Å; P1291-V1298 HydrophobicContact CB-CG2 4.42Å; V1295-V1298 HydrophobicContact CG1-CG2 3.65Å; V1298-F1323 HydrophobicContact CB-CD2 3.84Å; V1298-F1323 HydrophobicContact CB-CE2 4.17Å; V1298-F1323 HydrophobicContact CB-CG 4.3Å; V1298-F1323 HydrophobicContact CG2-CD2 3.7Å; V1298-F1323 HydrophobicContact CG2-CE2 3.81Å; V1298-I1340 HydrophobicContact CG1-CG2 3.47Å; V1298-I1340 VanDerWaalsContact CG1-CG2 3.47Å; V1298-Y1341 VanDerWaalsContact CA-O 3.32Å; V1298-Y1341 WeakPolarHBondContact CA-O 3.28Å; V1298-V1342 HydrophobicContact CG2-CG1 4.49Å |
| 1299 | D | 76.2 | Confident | 62.6 | Low | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.4 | 173.6 | -70 | -26.9 | 0 | 0 | 0 | 110.2 | N1297 I1340 Y1341 H1343 | N1297-D1299 PolarHBondContact ND2-OD1 2.92Å; D1299-I1340 CarbonylContact O-C 3.43Å; D1299-I1340 WeakPolarHBondContact O-CA 3.32Å; D1299-Y1341 PolarHBondContact N-O 2.83Å; D1299-Y1341 PolarHBondContact O-N 2.88Å; D1299-H1343 IonicContact OD2-NE2 2.96Å |
| 1300 | A | 71.5 | Confident | 61.4 | Low | 24 Ų | 24 | 63.5 Ų | 63.5 | 20% | 0.198 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1325 V1338 K1339 I1340 | A1300-F1325 HydrophobicContact CB-CD1 3.81Å; A1300-F1325 HydrophobicContact CB-CE1 3.53Å; A1300-F1325 HydrophobicContact CB-CG 4.42Å; A1300-F1325 HydrophobicContact CB-CZ 3.98Å; A1300-V1338 HydrophobicContact CB-CG1 4.13Å; A1300-K1339 CarbonylContact C-O 3.6Å; A1300-K1339 WeakPolarHBondContact CA-O 3.41Å; A1300-I1340 HydrophobicContact CB-CG1 4.43Å |
| 1301 | S | 67.1 | Low | 60.8 | Low | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.3 | 178.3 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | K1339 Y1341 | S1301-K1339 PolarHBondContact N-O 3.05Å; S1301-K1339 PolarHBondContact O-N 3.16Å; S1301-Y1341 WeakPolarHBondContact OG-CE2 3.39Å |
| 1302 | P | 60.8 | Low | 60.5 | Low | 60 Ų | 60 | 65.8 Ų | 65.8 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.2 | 172.3 | 26.3 | -30.5 | 0 | 0 | 0 | 110.6 | Q1304 | P1302-Q1304 VanDerWaalsContact C-N 3.26Å; P1302-Q1304 PolarHBondContact O-N 2.9Å |
| 1303 | L | 53.5 | Low | 60.3 | Low | 72 Ų | 72 | 69.5 Ų | 69.5 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -70.5 | -21.8 | 179.6 | -121.8 | 133.5 | 0 | 0 | 0 | 113.1 | S1337 K1339 | L1303-S1337 PolarHBondContact N-O 2.82Å; L1303-K1339 HydrophobicContact CD1-CD 4.04Å; L1303-K1339 HydrophobicContact CD1-CG 3.66Å; L1303-K1339 HydrophobicContact CG-CD 3.88Å; L1303-K1339 HydrophobicContact CG-CG 4.02Å |
| 1304 | Q | 56.7 | Low | 60.1 | Low | 118 Ų | 118 | 68.1 Ų | 68.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | trans | -120.4 | 121.7 | -176.4 | -70.4 | 174.2 | -9.4 | 0 | 0 | 110.4 | P1302 N1306 L1307 | P1302-Q1304 VanDerWaalsContact C-N 3.26Å; P1302-Q1304 PolarHBondContact O-N 2.9Å; Q1304-N1306 PolarHBondContact O-N 2.87Å; Q1304-L1307 HydrophobicContact CB-CD1 4.44Å; Q1304-L1307 VanDerWaalsContact OE1-CD1 3.25Å | ||
| 1305 | P | 49.8 | Very low | 59.6 | Low | 130 Ų | 130 | 73 Ų | 73 | 84% | 0.844 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.1 | -175.9 | 24.5 | -31.6 | 0 | 0 | 0 | 114.8 | ||
| 1306 | N | 44.6 | Very low | 58.8 | Low | 160 Ų | 160 | 75.7 Ų | 75.7 | 86% | 0.856 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 6.2 | -172.6 | -91.1 | -0 | 0 | 0 | 0 | 115.4 | Q1304 | Q1304-N1306 PolarHBondContact O-N 2.87Š|
| 1307 | L | 48.1 | Very low | 57.7 | Low | 71 Ų | 71 | 78.2 Ų | 78.2 | 37% | 0.372 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -108.4 | 120.3 | 178.3 | -81.2 | 165.4 | 0 | 0 | 0 | 109.1 | Q1304 F1309 | Q1304-L1307 HydrophobicContact CB-CD1 4.44Å; Q1304-L1307 VanDerWaalsContact OE1-CD1 3.25Å; L1307-F1309 HydrophobicContact CB-CD2 4.05Å; L1307-F1309 HydrophobicContact CD2-CD2 4.31Å; L1307-F1309 HydrophobicContact CD2-CE2 4.21Å; L1307-F1309 PolarHBondContact O-N 2Å |
| 1308 | S | 45.6 | Very low | 56.2 | Low | 64 Ų | 64 | 82.8 Ų | 82.8 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | trans | -62.8 | 23 | 179 | 41.7 | 0 | 0 | 0 | 0 | 115.1 | F1164 M1310 | F1164-S1308 PolarHBondContact O-OG 2.91Å; S1308-M1310 PolarHBondContact O-N 2.98Å | ||
| 1309 | F | 51.1 | Low | 55.1 | Low | 24 Ų | 24 | 95.4 Ų | 95.4 | 11% | 0.105 | 50% | 0.495 | C | S | . | . | trans | -91.8 | 67.3 | 175.6 | -68.7 | -93.5 | 0 | 0 | 0 | 109.8 | L1307 Y1311 S1329 I1336 | L1307-F1309 HydrophobicContact CB-CD2 4.05Å; L1307-F1309 HydrophobicContact CD2-CD2 4.31Å; L1307-F1309 HydrophobicContact CD2-CE2 4.21Å; L1307-F1309 PolarHBondContact O-N 2Å; F1309-Y1311 PolarHBondContact O-N 2.95Å; F1309-S1329 WeakPolarHBondContact CE1-O 3.3Å; F1309-I1336 HydrophobicContact CD1-CD1 3.66Å; F1309-I1336 HydrophobicContact CE1-CD1 3.77Å; F1309-I1336 HydrophobicContact CG-CD1 4.16Å; F1309-I1336 HydrophobicContact CZ-CD1 4.36Å | ||
| 1310 | M | 49.5 | Very low | 54 | Low | 128 Ų | 128 | 96.6 Ų | 96.6 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | trans | -76 | 111.4 | 167.3 | -83.3 | -169.3 | 62.9 | 0 | 0 | 109.4 | S1308 H1312 | S1308-M1310 PolarHBondContact O-N 2.98Å; M1310-H1312 PolarHBondContact O-N 3.12Å | ||
| 1311 | Y | 58.3 | Low | 53.4 | Low | 25 Ų | 25 | 96.6 Ų | 96.6 | 10% | 0.098 | 51% | 0.511 | C | S | . | . | trans | -67.2 | 115.4 | 161.1 | -79.6 | -73.3 | 0 | 0 | 0 | 108.7 | M1272 H1285 L1287 F1309 F1325 V1338 | M1272-Y1311 HydrophobicContact CE-CE2 4.42Å; M1272-Y1311 VanDerWaalsContact CE-OH 3.23Å; M1272-Y1311 WeakPolarHBondContact CE-OH 3.29Å; H1285-Y1311 AromaticContact CD2-CE1 3.77Å; H1285-Y1311 AromaticContact CD2-CZ 3.9Å; H1285-Y1311 PolarHBondContact CD2-OH 2.95Å; H1285-Y1311 AromaticContact NE2-CE1 3.41Å; H1285-Y1311 WeakPolarHBondContact NE2-CE1 3.24Å; H1285-Y1311 AromaticContact NE2-CZ 3.34Å; H1285-Y1311 VanDerWaalsContact NE2-CZ 3.34Å; H1285-Y1311 PolarHBondContact NE2-OH 2.88Å; L1287-Y1311 HydrophobicContact CB-CE1 4.01Å; F1309-Y1311 PolarHBondContact O-N 2.95Å; Y1311-F1325 HydrophobicContact CD1-CB 3.53Å; Y1311-F1325 HydrophobicContact CE1-CB 4.28Å; Y1311-F1325 HydrophobicContact CG-CB 3.95Å; Y1311-V1338 HydrophobicContact CE2-CG2 3.81Å | ||
| 1312 | H | 56.9 | Low | 53.4 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.8 | 168.7 | -52.8 | -57.1 | 0 | 0 | 0 | 108 | M1310 V1314 K1326 | M1310-H1312 PolarHBondContact O-N 3.12Å; H1312-V1314 PolarHBondContact O-N 2.96Å; H1312-V1314 VanDerWaalsContact O-N 3.16Å; H1312-K1326 PolarHBondContact N-O 2.84Å; H1312-K1326 PolarHBondContact O-N 2.81Å |
| 1313 | I | 59.3 | Low | 53.9 | Low | 92 Ų | 92 | 95.7 Ų | 95.7 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 118.3 | 168.9 | -65.2 | 172.4 | 0 | 0 | 0 | 106.6 | P1315 F1325 | I1313-P1315 VanDerWaalsContact O-CD 3.25Å; I1313-P1315 WeakPolarHBondContact O-CD 3.2Å; I1313-F1325 HydrophobicContact CD1-CE1 4.04Å; I1313-F1325 HydrophobicContact CG1-CD1 3.84Å; I1313-F1325 HydrophobicContact CG1-CE1 3.48Å; I1313-F1325 VanDerWaalsContact CG1-CE1 3.48Å; I1313-F1325 HydrophobicContact CG1-CZ 4.35Å |
| 1314 | V | 57.6 | Low | 54.9 | Low | 48 Ų | 48 | 94.5 Ų | 94.5 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 116.1 | 168.2 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | H1312 N1316 I1324 K1326 | H1312-V1314 PolarHBondContact O-N 2.96Å; H1312-V1314 VanDerWaalsContact O-N 3.16Å; V1314-N1316 PolarHBondContact O-N 2.96Å; V1314-I1324 HydrophobicContact CG2-CG2 4.3Å; V1314-I1324 PolarHBondContact N-O 3.44Å; V1314-I1324 VanDerWaalsContact N-O 3.12Å; V1314-K1326 HydrophobicContact CG2-CB 4.25Å; V1314-K1326 HydrophobicContact CG2-CD 3.5Å; V1314-K1326 HydrophobicContact CG2-CG 3.65Å |
| 1315 | P | 53.2 | Low | 55.9 | Low | 112 Ų | 112 | 89 Ų | 89 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | trans | -58.2 | 109.1 | 178.6 | 19.9 | -29 | 0 | 0 | 0 | 108.8 | I1313 | I1313-P1315 VanDerWaalsContact O-CD 3.25Å; I1313-P1315 WeakPolarHBondContact O-CD 3.2Å | ||
| 1316 | N | 50.3 | Low | 57 | Low | 69 Ų | 69 | 88.2 Ų | 88.2 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | trans | -87 | 116.3 | -175.2 | -157.9 | -6.2 | 0 | 0 | 0 | 109.1 | V1314 K1318 P1322 | V1314-N1316 PolarHBondContact O-N 2.96Å; N1316-K1318 PolarHBondContact O-N 2.99Å; N1316-P1322 PolarHBondContact ND2-O 3.49Å | ||
| 1317 | I | 48.1 | Very low | 58.2 | Low | 170 Ų | 170 | 81.3 Ų | 81.3 | 87% | 0.872 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71.3 | -15.4 | -177.2 | -57.2 | 170.5 | 0 | 0 | 0 | 111.3 | ||
| 1318 | K | 46.9 | Very low | 59.1 | Low | 154 Ų | 154 | 80 Ų | 80 | 67% | 0.67 | 42% | 0.42 | S | S | * | . | trans | -109.1 | 112.7 | -178.8 | -69 | -175.8 | 178.1 | -179.2 | 0 | 111.2 | N1316 S1320 G1321 | N1316-K1318 PolarHBondContact O-N 2.99Å; K1318-S1320 PolarHBondContact O-N 3.43Å; K1318-G1321 PolarHBondContact O-N 3.3Å | ||
| 1319 | R | 52.4 | Low | 60.3 | Low | 266 Ų | 266 | 77.6 Ų | 77.6 | 100% | 1.004 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -6.6 | 173.7 | -80.1 | -174.8 | 175.7 | -178.9 | -2 | 115.3 | ||
| 1320 | S | 53.4 | Low | 61.4 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 60% | 0.601 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 6.9 | -174.7 | 64.8 | 0 | 0 | 0 | 0 | 115 | K1318 | K1318-S1320 PolarHBondContact O-N 3.43Š|
| 1321 | G | 58.9 | Low | 62.6 | Low | 25 Ų | 25 | 70.9 Ų | 70.9 | 26% | 0.258 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -97.3 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1318 | K1318-G1321 PolarHBondContact O-N 3.3Š|
| 1322 | P | 67 | Low | 63.5 | Low | 29 Ų | 29 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | trans | -61.6 | 148 | 170.7 | 25.1 | -32 | 0 | 0 | 0 | 111.4 | N1288 I1289 Y1290 N1316 I1324 | N1288-P1322 HydrophobicContact CB-CB 4.2Å; I1289-P1322 CarbonylContact O-C 3.58Å; I1289-P1322 WeakPolarHBondContact O-CA 3.42Å; I1289-P1322 WeakPolarHBondContact O-CB 3.34Å; Y1290-P1322 HydrophobicContact CD1-CB 3.67Å; Y1290-P1322 HydrophobicContact CD1-CG 4.13Å; Y1290-P1322 HydrophobicContact CE1-CB 3.68Å; Y1290-P1322 HydrophobicContact CE1-CG 3.72Å; Y1290-P1322 HydrophobicContact CG-CB 4.12Å; N1316-P1322 PolarHBondContact ND2-O 3.49Å; P1322-I1324 HydrophobicContact CG-CG1 4.16Å; P1322-I1324 PolarHBondContact O-N 2.85Å | ||
| 1323 | F | 71.1 | Confident | 64 | Low | 47 Ų | 47 | 67.7 Ų | 67.7 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115.2 | 162 | -66.8 | -77.8 | 0 | 0 | 0 | 108 | I1289 P1291 V1298 F1325 | I1289-F1323 HydrophobicContact CB-CB 4.33Å; I1289-F1323 PolarHBondContact N-O 2.88Å; I1289-F1323 PolarHBondContact O-N 3.44Å; P1291-F1323 HydrophobicContact CB-CD2 3.86Å; P1291-F1323 HydrophobicContact CB-CE2 3.56Å; P1291-F1323 HydrophobicContact CG-CD2 3.53Å; P1291-F1323 HydrophobicContact CG-CE2 3.37Å; P1291-F1323 HydrophobicContact CG-CZ 4.45Å; V1298-F1323 HydrophobicContact CB-CD2 3.84Å; V1298-F1323 HydrophobicContact CB-CE2 4.17Å; V1298-F1323 HydrophobicContact CB-CG 4.3Å; V1298-F1323 HydrophobicContact CG2-CD2 3.7Å; V1298-F1323 HydrophobicContact CG2-CE2 3.81Å; F1323-F1325 HydrophobicContact CB-CD2 4.43Å; F1323-F1325 HydrophobicContact CB-CE2 3.62Å; F1323-F1325 HydrophobicContact CB-CZ 4.25Å |
| 1324 | I | 74.4 | Confident | 64.6 | Low | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.7 | -175.2 | -57.6 | 175.4 | 0 | 0 | 0 | 108.6 | T1286 V1314 P1322 K1326 | T1286-I1324 HydrophobicContact CG2-CG2 3.91Å; V1314-I1324 HydrophobicContact CG2-CG2 4.3Å; V1314-I1324 PolarHBondContact N-O 3.44Å; V1314-I1324 VanDerWaalsContact N-O 3.12Å; P1322-I1324 HydrophobicContact CG-CG1 4.16Å; P1322-I1324 PolarHBondContact O-N 2.85Å; I1324-K1326 HydrophobicContact CG2-CG 4.39Å |
| 1325 | F | 76.7 | Confident | 65.2 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.9 | 173.9 | -61.8 | -94.4 | 0 | 0 | 0 | 108.1 | T1286 L1287 I1289 A1300 Y1311 I1313 F1323 | T1286-F1325 WeakPolarHBondContact CA-O 3.46Å; L1287-F1325 HydrophobicContact CB-CB 4.17Å; L1287-F1325 PolarHBondContact N-O 3.24Å; L1287-F1325 PolarHBondContact O-N 2.89Å; I1289-F1325 HydrophobicContact CB-CE2 4.36Å; I1289-F1325 HydrophobicContact CD1-CD2 3.89Å; I1289-F1325 HydrophobicContact CD1-CE2 3.45Å; I1289-F1325 VanDerWaalsContact CD1-CE2 3.45Å; I1289-F1325 HydrophobicContact CD1-CZ 4.23Å; I1289-F1325 HydrophobicContact CG1-CD2 3.98Å; I1289-F1325 HydrophobicContact CG1-CE2 3.82Å; A1300-F1325 HydrophobicContact CB-CD1 3.81Å; A1300-F1325 HydrophobicContact CB-CE1 3.53Å; A1300-F1325 HydrophobicContact CB-CG 4.42Å; A1300-F1325 HydrophobicContact CB-CZ 3.98Å; Y1311-F1325 HydrophobicContact CD1-CB 3.53Å; Y1311-F1325 HydrophobicContact CE1-CB 4.28Å; Y1311-F1325 HydrophobicContact CG-CB 3.95Å; I1313-F1325 HydrophobicContact CD1-CE1 4.04Å; I1313-F1325 HydrophobicContact CG1-CD1 3.84Å; I1313-F1325 HydrophobicContact CG1-CE1 3.48Å; I1313-F1325 VanDerWaalsContact CG1-CE1 3.48Å; I1313-F1325 HydrophobicContact CG1-CZ 4.35Å; F1323-F1325 HydrophobicContact CB-CD2 4.43Å; F1323-F1325 HydrophobicContact CB-CE2 3.62Å; F1323-F1325 HydrophobicContact CB-CZ 4.25Å |
| 1326 | K | 73 | Confident | 66.2 | Low | 115 Ų | 115 | 62.1 Ų | 62.1 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.4 | 176 | -77.2 | -179.3 | -179.3 | 171.6 | 0 | 109.5 | T1286 H1312 V1314 I1324 | T1286-K1326 HydrophobicContact CG2-CB 4.48Å; T1286-K1326 HydrophobicContact CG2-CG 3.6Å; H1312-K1326 PolarHBondContact N-O 2.84Å; H1312-K1326 PolarHBondContact O-N 2.81Å; V1314-K1326 HydrophobicContact CG2-CB 4.25Å; V1314-K1326 HydrophobicContact CG2-CD 3.5Å; V1314-K1326 HydrophobicContact CG2-CG 3.65Å; I1324-K1326 HydrophobicContact CG2-CG 4.39Å |
| 1327 | G | 70.4 | Confident | 67.3 | Low | 14 Ų | 14 | 60.3 Ų | 60.3 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 165.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | H1285 | H1285-G1327 VanDerWaalsContact CE1-C 3.48Å; H1285-G1327 VanDerWaalsContact CE1-CA 3.47Å; H1285-G1327 WeakPolarHBondContact CE1-CA 3.38Å; H1285-G1327 PolarHBondContact O-N 3.25Å |
| 1328 | G | 67.9 | Low | 68.6 | Low | 43 Ų | 43 | 52.3 Ų | 52.3 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | trans | -73.2 | -150 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1285 | H1285-G1328 PolarHBondContact CE1-O 3.04Å; H1285-G1328 PolarHBondContact N-O 3.31Å; H1285-G1328 PolarHBondContact ND1-O 3.45Å | ||
| 1329 | S | 70.6 | Confident | 70 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | trans | -68.3 | 138.9 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | C1282 F1309 R1331 | C1282-S1329 CarbonylContact O-C 3.48Å; C1282-S1329 VanDerWaalsContact O-CA 3.26Å; C1282-S1329 WeakPolarHBondContact O-CA 3.41Å; F1309-S1329 WeakPolarHBondContact CE1-O 3.3Å; S1329-R1331 PolarHBondContact OG-NE 3.46Å | ||
| 1330 | F | 73.8 | Confident | 71.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 100.6 | 173.8 | -168.1 | -133.4 | 0 | 0 | 0 | 107.9 | I1243 M1272 K1273 M1274 C1282 N1334 I1336 | I1243-F1330 HydrophobicContact CG2-CD1 4.01Å; I1243-F1330 HydrophobicContact CG2-CE1 3.9Å; M1272-F1330 HydrophobicContact CB-CZ 4.28Å; K1273-F1330 VanDerWaalsContact C-CZ 3.46Å; M1274-F1330 HydrophobicContact CB-CE1 4.23Å; M1274-F1330 HydrophobicContact CB-CZ 4.49Å; M1274-F1330 HydrophobicContact SD-CD1 4.04Å; M1274-F1330 HydrophobicContact SD-CE1 4.36Å; C1282-F1330 HydrophobicContact CB-CB 3.73Å; C1282-F1330 PolarHBondContact N-O 2.84Å; C1282-F1330 PolarHBondContact O-N 3.18Å; F1330-N1334 HydrophobicContact CD2-CB 3.93Å; F1330-N1334 HydrophobicContact CE2-CB 3.8Å; F1330-I1336 HydrophobicContact CD2-CD1 3.69Å; F1330-I1336 HydrophobicContact CE2-CD1 3.57Å; F1330-I1336 HydrophobicContact CE2-CG1 3.97Å |
| 1331 | R | 75.3 | Confident | 72.5 | Confident | 9 Ų | 9 | 34 Ų | 34 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | trans | -93.6 | 169.3 | -169 | -57.3 | -64.7 | -174.5 | 171.8 | -3.3 | 110.9 | E1131 Q1167 M1274 E1281 S1329 N1334 | E1131-R1331 IonicContact OE1-CZ 3.19Å; E1131-R1331 IonicContact OE1-NH1 3.81Å; E1131-R1331 PolarHBondContact OE1-NH1 3.3Å; E1131-R1331 IonicContact OE1-NH2 3.97Å; E1131-R1331 PolarHBondContact OE1-NH2 2.82Å; Q1167-R1331 HydrophobicContact CG-CB 4.27Å; Q1167-R1331 HydrophobicContact CG-CG 4.17Å; M1274-R1331 WeakPolarHBondContact CB-O 3.49Å; E1281-R1331 VanDerWaalsContact CD-CD 3.43Å; E1281-R1331 WeakPolarHBondContact OE1-CB 3.37Å; E1281-R1331 WeakPolarHBondContact OE2-CD 3.32Å; E1281-R1331 IonicContact OE2-CZ 2.72Å; E1281-R1331 IonicContact OE2-NE 3.28Å; E1281-R1331 IonicContact OE2-NH1 2.75Å; E1281-R1331 PolarHBondContact OE2-NH1 2.97Å; S1329-R1331 PolarHBondContact OG-NE 3.46Å; R1331-N1334 PolarHBondContact N-ND2 2.89Å; R1331-N1334 WeakPolarHBondContact O-CB 3.24Å; R1331-N1334 PolarHBondContact O-N 2.94Å | ||
| 1332 | F | 76.1 | Confident | 73.4 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 144.8 | 175.9 | -61.7 | -49 | 0 | 0 | 0 | 112.1 | D1202 M1274 S1278 L1280 E1281 N1334 | D1202-F1332 HydrophobicContact CB-CE2 4.06Å; D1202-F1332 HydrophobicContact CB-CZ 4.16Å; M1274-F1332 HydrophobicContact CG-CD1 4Å; S1278-F1332 VanDerWaalsContact O-CE1 3.31Å; S1278-F1332 WeakPolarHBondContact O-CE1 3.37Å; L1280-F1332 WeakPolarHBondContact O-CE1 3.39Å; E1281-F1332 HydrophobicContact CG-CD1 3.87Å; E1281-F1332 HydrophobicContact CG-CD2 3.55Å; E1281-F1332 HydrophobicContact CG-CE1 3.76Å; E1281-F1332 HydrophobicContact CG-CE2 3.45Å; E1281-F1332 VanDerWaalsContact CG-CE2 3.45Å; E1281-F1332 HydrophobicContact CG-CG 3.77Å; E1281-F1332 HydrophobicContact CG-CZ 3.56Å; E1281-F1332 VanDerWaalsContact OE1-CD2 3.22Å; E1281-F1332 WeakPolarHBondContact OE1-CD2 3.49Å; E1281-F1332 PolarHBondContact OE1-N 2.91Å; F1332-N1334 PolarHBondContact O-N 2.83Å |
| 1333 | D | 67.4 | Low | 74 | Confident | 70 Ų | 70 | 34.2 Ų | 34.2 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -1.9 | -177.3 | -53.9 | -49.5 | 0 | 0 | 0 | 116.8 | L1137 R1199 E1335 | L1137-D1333 WeakPolarHBondContact CD2-OD2 3.49Å; R1199-D1333 VanDerWaalsContact CZ-CG 3.46Å; R1199-D1333 IonicContact CZ-OD1 2.89Å; R1199-D1333 IonicContact CZ-OD2 2.92Å; R1199-D1333 IonicContact NE-OD2 2.67Å; R1199-D1333 IonicContact NH1-OD1 3.07Å; R1199-D1333 PolarHBondContact NH1-OD1 3.01Å; R1199-D1333 IonicContact NH1-OD2 3.98Å; R1199-D1333 PolarHBondContact NH1-OD2 3.39Å; R1199-D1333 IonicContact NH2-OD1 2.75Å; R1199-D1333 PolarHBondContact NH2-OD1 2.76Å; R1199-D1333 IonicContact NH2-OD2 2.66Å; R1199-D1333 PolarHBondContact NH2-OD2 2.9Å; R1199-D1333 VanDerWaalsContact NH2-OD2 3.08Å; D1333-E1335 PolarHBondContact O-N 2.75Å |
| 1334 | N | 72.6 | Confident | 74 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | trans | -64.9 | 124.6 | 174 | -74.2 | -0.5 | 0 | 0 | 0 | 110.5 | K1273 M1274 F1330 R1331 F1332 | K1273-N1334 WeakPolarHBondContact CA-O 3.05Å; M1274-N1334 PolarHBondContact N-O 2.52Å; F1330-N1334 HydrophobicContact CD2-CB 3.93Å; F1330-N1334 HydrophobicContact CE2-CB 3.8Å; R1331-N1334 PolarHBondContact N-ND2 2.89Å; R1331-N1334 WeakPolarHBondContact O-CB 3.24Å; R1331-N1334 PolarHBondContact O-N 2.94Å; F1332-N1334 PolarHBondContact O-N 2.83Å | ||
| 1335 | E | 70.7 | Confident | 73.6 | Confident | 98 Ų | 98 | 34.2 Ų | 34.2 | 46% | 0.458 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125 | 169.2 | -172.4 | -176.7 | 131.6 | 0 | 0 | 108.7 | K1271 M1272 K1273 D1333 | K1271-E1335 HydrophobicContact CD-CG 4.24Å; K1271-E1335 VanDerWaalsContact CD-OE1 3.25Å; K1271-E1335 WeakPolarHBondContact CD-OE1 3.38Å; K1271-E1335 WeakPolarHBondContact CE-OE1 3.26Å; K1271-E1335 WeakPolarHBondContact CE-OE2 3.34Å; K1271-E1335 HydrophobicContact CG-CG 3.96Å; K1271-E1335 IonicContact NZ-OE1 3.59Å; K1271-E1335 PolarHBondContact NZ-OE1 3.16Å; K1271-E1335 IonicContact NZ-OE2 3.06Å; K1271-E1335 PolarHBondContact NZ-OE2 3.33Å; M1272-E1335 CarbonylContact O-C 3.56Å; M1272-E1335 WeakPolarHBondContact O-CA 3.16Å; K1273-E1335 HydrophobicContact CB-CG 4.4Å; D1333-E1335 PolarHBondContact O-N 2.75Å |
| 1336 | I | 72.9 | Confident | 72.9 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.4 | -174.7 | -57 | 173.7 | 0 | 0 | 0 | 108.9 | K1271 M1272 F1309 F1330 V1338 | K1271-I1336 WeakPolarHBondContact CA-O 3.33Å; M1272-I1336 HydrophobicContact CE-CB 3.9Å; M1272-I1336 HydrophobicContact CE-CG2 3.8Å; M1272-I1336 PolarHBondContact N-O 2.76Å; M1272-I1336 PolarHBondContact O-N 2.86Å; F1309-I1336 HydrophobicContact CD1-CD1 3.66Å; F1309-I1336 HydrophobicContact CE1-CD1 3.77Å; F1309-I1336 HydrophobicContact CG-CD1 4.16Å; F1309-I1336 HydrophobicContact CZ-CD1 4.36Å; F1330-I1336 HydrophobicContact CD2-CD1 3.69Å; F1330-I1336 HydrophobicContact CE2-CD1 3.57Å; F1330-I1336 HydrophobicContact CE2-CG1 3.97Å; I1336-V1338 HydrophobicContact CG2-CG2 3.76Å |
| 1337 | S | 74 | Confident | 72.2 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.9 | 169.2 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | L1270 L1303 | L1270-S1337 CarbonylContact O-C 3.5Å; L1270-S1337 WeakPolarHBondContact O-CA 2.79Å; L1303-S1337 PolarHBondContact N-O 2.82Å |
| 1338 | V | 75.5 | Confident | 71.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.9 | -179 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L1270 M1272 A1300 Y1311 I1336 I1340 | L1270-V1338 HydrophobicContact CB-CB 4.45Å; L1270-V1338 PolarHBondContact N-O 3.01Å; L1270-V1338 PolarHBondContact O-N 2.84Å; M1272-V1338 HydrophobicContact CE-CG2 3.49Å; M1272-V1338 VanDerWaalsContact CE-CG2 3.49Å; A1300-V1338 HydrophobicContact CB-CG1 4.13Å; Y1311-V1338 HydrophobicContact CE2-CG2 3.81Å; I1336-V1338 HydrophobicContact CG2-CG2 3.76Å; V1338-I1340 HydrophobicContact CG1-CG1 4.06Å |
| 1339 | K | 77.2 | Confident | 70.9 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.6 | 168.1 | -93.3 | 172.3 | -178.3 | -177.5 | 0 | 109.8 | M1267 L1268 N1269 A1300 S1301 L1303 Y1341 | M1267-K1339 HydrophobicContact CG-CG 4.3Å; M1267-K1339 HydrophobicContact SD-CD 3.74Å; M1267-K1339 HydrophobicContact SD-CG 4.06Å; L1268-K1339 CarbonylContact O-C 3.57Å; L1268-K1339 WeakPolarHBondContact O-CA 3.43Å; N1269-K1339 WeakPolarHBondContact OD1-CG 3.21Å; A1300-K1339 CarbonylContact C-O 3.6Å; A1300-K1339 WeakPolarHBondContact CA-O 3.41Å; S1301-K1339 PolarHBondContact N-O 3.05Å; S1301-K1339 PolarHBondContact O-N 3.16Å; L1303-K1339 HydrophobicContact CD1-CD 4.04Å; L1303-K1339 HydrophobicContact CD1-CG 3.66Å; L1303-K1339 HydrophobicContact CG-CD 3.88Å; L1303-K1339 HydrophobicContact CG-CG 4.02Å; K1339-Y1341 HydrophobicContact CB-CE2 4.26Å |
| 1340 | I | 79 | Confident | 70.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.1 | 177.7 | -60.2 | 179.4 | 0 | 0 | 0 | 108.7 | M1267 L1268 L1270 L1287 I1289 V1298 D1299 A1300 V1338 V1342 I1363 | M1267-I1340 CarbonylContact C-O 3.57Å; M1267-I1340 WeakPolarHBondContact CA-O 3.4Å; L1268-I1340 HydrophobicContact CB-CB 4.26Å; L1268-I1340 PolarHBondContact N-O 3.13Å; L1268-I1340 PolarHBondContact O-N 2.81Å; L1270-I1340 HydrophobicContact CD1-CD1 3.26Å; L1270-I1340 HydrophobicContact CD1-CG1 4.35Å; L1270-I1340 HydrophobicContact CG-CD1 4.03Å; L1287-I1340 HydrophobicContact CD2-CD1 4.28Å; I1289-I1340 HydrophobicContact CD1-CD1 3.74Å; I1289-I1340 HydrophobicContact CD1-CG1 4.36Å; I1289-I1340 HydrophobicContact CD1-CG2 3.94Å; V1298-I1340 HydrophobicContact CG1-CG2 3.47Å; V1298-I1340 VanDerWaalsContact CG1-CG2 3.47Å; D1299-I1340 CarbonylContact O-C 3.43Å; D1299-I1340 WeakPolarHBondContact O-CA 3.32Å; A1300-I1340 HydrophobicContact CB-CG1 4.43Å; V1338-I1340 HydrophobicContact CG1-CG1 4.06Å; I1340-V1342 HydrophobicContact CG2-CG2 4.14Å; I1340-I1363 HydrophobicContact CD1-CD1 3.2Å |
| 1341 | Y | 78.8 | Confident | 68.9 | Low | 70 Ų | 70 | 53 Ų | 53 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117 | 174.9 | -56.9 | -83.9 | 0 | 0 | 0 | 108.8 | V1265 L1266 M1267 V1298 D1299 S1301 K1339 | V1265-Y1341 HydrophobicContact CG1-CD1 4.32Å; L1266-Y1341 CarbonylContact O-C 3.59Å; L1266-Y1341 WeakPolarHBondContact O-CA 3.25Å; M1267-Y1341 HydrophobicContact CB-CD1 4.1Å; M1267-Y1341 HydrophobicContact CB-CE1 4.12Å; M1267-Y1341 HydrophobicContact CG-CD1 3.98Å; M1267-Y1341 HydrophobicContact CG-CE1 3.64Å; M1267-Y1341 HydrophobicContact SD-CD1 4.38Å; M1267-Y1341 HydrophobicContact SD-CE1 3.47Å; M1267-Y1341 WeakPolarHBondContact SD-CE1 3.41Å; V1298-Y1341 VanDerWaalsContact CA-O 3.32Å; V1298-Y1341 WeakPolarHBondContact CA-O 3.28Å; D1299-Y1341 PolarHBondContact N-O 2.83Å; D1299-Y1341 PolarHBondContact O-N 2.88Å; S1301-Y1341 WeakPolarHBondContact OG-CE2 3.39Å; K1339-Y1341 HydrophobicContact CB-CE2 4.26Å |
| 1342 | V | 78.1 | Confident | 67.3 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.9 | 176.9 | -176 | 0 | 0 | 0 | 0 | 107.8 | V1265 L1266 L1268 V1295 V1298 I1340 F1344 V1361 | V1265-V1342 WeakPolarHBondContact CA-O 3.21Å; L1266-V1342 HydrophobicContact CB-CB 4.25Å; L1266-V1342 PolarHBondContact N-O 3.49Å; L1266-V1342 PolarHBondContact O-N 2.78Å; L1268-V1342 HydrophobicContact CD1-CG2 3.92Å; V1295-V1342 HydrophobicContact CB-CG1 4.31Å; V1295-V1342 HydrophobicContact CG1-CG1 3.67Å; V1295-V1342 HydrophobicContact CG2-CG1 3.64Å; V1298-V1342 HydrophobicContact CG2-CG1 4.49Å; I1340-V1342 HydrophobicContact CG2-CG2 4.14Å; V1342-F1344 HydrophobicContact CG1-CE1 4.45Å; V1342-F1344 HydrophobicContact CG1-CZ 4.27Å; V1342-V1361 HydrophobicContact CG1-CG2 4.21Å; V1342-V1361 HydrophobicContact CG2-CG2 4.4Å |
| 1343 | H | 78 | Confident | 66.1 | Low | 58 Ų | 58 | 63.1 Ų | 63.1 | 27% | 0.269 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.2 | 179.6 | -62.3 | -95.9 | 0 | 0 | 0 | 109.3 | V1265 V1295 E1296 N1297 D1299 | V1265-H1343 WeakPolarHBondContact CG2-ND1 2.95Å; V1295-H1343 CarbonylContact C-O 3.53Å; E1296-H1343 PolarHBondContact N-O 2.88Å; N1297-H1343 HydrophobicContact CB-CB 4.32Å; N1297-H1343 PolarHBondContact N-O 3.41Å; N1297-H1343 PolarHBondContact O-N 3.24Å; D1299-H1343 IonicContact OD2-NE2 2.96Å |
| 1344 | F | 72.3 | Confident | 65 | Low | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 150.2 | 175.4 | -65.6 | -75.5 | 0 | 0 | 0 | 111.4 | D1264 L1266 V1295 V1342 I1348 F1396 | D1264-F1344 WeakPolarHBondContact O-CD2 3.47Å; D1264-F1344 PolarHBondContact O-N 2.88Å; L1266-F1344 HydrophobicContact CB-CE2 4.1Å; V1295-F1344 HydrophobicContact CG2-CD1 4.17Å; V1295-F1344 HydrophobicContact CG2-CE1 3.98Å; V1342-F1344 HydrophobicContact CG1-CE1 4.45Å; V1342-F1344 HydrophobicContact CG1-CZ 4.27Å; F1344-I1348 HydrophobicContact CB-CD1 4.21Å; F1344-F1396 HydrophobicContact CD1-CZ 4.19Å; F1344-F1396 HydrophobicContact CD2-CZ 4.09Å; F1344-F1396 HydrophobicContact CE1-CE2 4.31Å; F1344-F1396 HydrophobicContact CE1-CZ 4.14Å; F1344-F1396 HydrophobicContact CE2-CZ 4.04Å; F1344-F1396 HydrophobicContact CG-CZ 4.17Å; F1344-F1396 HydrophobicContact CZ-CE2 4.19Å; F1344-F1396 HydrophobicContact CZ-CZ 4.07Å |
| 1345 | K | 65.6 | Low | 63.8 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 150.9 | 176.4 | -68.5 | 173.7 | 179.4 | 171.2 | 0 | 111.4 | G1263 V1293 S1294 E1296 K1347 | G1263-K1345 PolarHBondContact N-O 3.25Å; V1293-K1345 WeakPolarHBondContact O-CE 3.32Å; V1293-K1345 PolarHBondContact O-NZ 3.21Å; S1294-K1345 PolarHBondContact O-N 3.28Å; E1296-K1345 HydrophobicContact CB-CG 3.69Å; E1296-K1345 HydrophobicContact CG-CG 4.36Å; K1345-K1347 PolarHBondContact O-N 2.75Å |
| 1346 | D | 62.5 | Low | 62.6 | Low | 123 Ų | 123 | 61.9 Ų | 61.9 | 66% | 0.658 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -58.6 | -14.7 | 174.3 | -67 | -21.7 | 0 | 0 | 0 | 115.5 | D1262 | D1262-D1346 WeakPolarHBondContact CB-O 3.39Š|
| 1347 | K | 57.7 | Low | 61.7 | Low | 161 Ų | 161 | 61.7 Ų | 61.7 | 70% | 0.7 | 31% | 0.309 | S | S | * | . | trans | -144.3 | 107.5 | 177.4 | -70.3 | -170.9 | -179.7 | 179.4 | 0 | 110.8 | K1345 | K1345-K1347 PolarHBondContact O-N 2.75Š| ||
| 1348 | I | 56.5 | Low | 60.8 | Low | 22 Ų | 22 | 64.7 Ų | 64.7 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | trans | -93.7 | 106.3 | 178 | -59.4 | 174.2 | 0 | 0 | 0 | 109.5 | D1262 F1344 L1350 Y1359 F1396 | D1262-I1348 WeakPolarHBondContact OD1-CB 3.48Å; D1262-I1348 WeakPolarHBondContact OD1-CG1 3.48Å; D1262-I1348 PolarHBondContact OD1-N 2.91Å; F1344-I1348 HydrophobicContact CB-CD1 4.21Å; I1348-L1350 PolarHBondContact O-N 3.49Å; I1348-Y1359 HydrophobicContact CG2-CE2 3.79Å; I1348-Y1359 WeakPolarHBondContact CG2-OH 3.4Å; I1348-F1396 HydrophobicContact CD1-CD1 3.66Å; I1348-F1396 HydrophobicContact CD1-CE1 3.24Å; I1348-F1396 HydrophobicContact CD1-CZ 3.9Å | ||
| 1349 | F | 53.6 | Low | 60 | Low | 182 Ų | 182 | 66.4 Ų | 66.4 | 80% | 0.798 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 116 | 176.4 | -97 | -89.3 | 0 | 0 | 0 | 111.4 | ||
| 1350 | L | 53.8 | Low | 59.1 | Low | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -94 | 134.5 | 167 | -67.6 | 165.2 | 0 | 0 | 0 | 109.2 | I1348 S1352 A1357 N1398 | I1348-L1350 PolarHBondContact O-N 3.49Å; L1350-S1352 PolarHBondContact O-N 3.49Å; L1350-A1357 HydrophobicContact CD2-CB 3.19Å; L1350-N1398 HydrophobicContact CD1-CB 3.49Å; L1350-N1398 VanDerWaalsContact CD1-CB 3.49Å |
| 1351 | P | 49.2 | Very low | 58.4 | Low | 73 Ų | 73 | 66.6 Ų | 66.6 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 139.8 | 172.4 | -21.5 | 31 | 0 | 0 | 0 | 110 | H1353 K1354 | P1351-H1353 PolarHBondContact O-N 3.08Å; P1351-K1354 PolarHBondContact O-N 3.08Å; P1351-K1354 VanDerWaalsContact O-N 3.07Å |
| 1352 | S | 42.9 | Very low | 57.7 | Low | 94 Ų | 94 | 63.9 Ų | 63.9 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 137 | 171.4 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | L1350 | L1350-S1352 PolarHBondContact O-N 3.49Š|
| 1353 | H | 49.7 | Very low | 57.3 | Low | 136 Ų | 136 | 63.9 Ų | 63.9 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 2.8 | -176.9 | -29.5 | -64.5 | 0 | 0 | 0 | 117.3 | P1351 | P1351-H1353 PolarHBondContact O-N 3.08Š|
| 1354 | K | 43.6 | Very low | 57.1 | Low | 71 Ų | 71 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | trans | -113.8 | 111.8 | 168.9 | -69.6 | -167.3 | 179.9 | -178 | 0 | 111.7 | P1351 | P1351-K1354 PolarHBondContact O-N 3.08Å; P1351-K1354 VanDerWaalsContact O-N 3.07Å | ||
| 1355 | N | 47.5 | Very low | 57.3 | Low | 39 Ų | 39 | 61.8 Ų | 61.8 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -76.3 | -26.3 | 172.1 | -71.9 | 0.8 | 0 | 0 | 0 | 111.9 | T1397 N1398 N1510 | N1355-T1397 CarbonylContact O-C 3.45Å; N1355-T1397 WeakPolarHBondContact O-CA 3.13Å; N1355-N1398 PolarHBondContact O-N 3.47Å; N1355-N1510 PolarHBondContact ND2-O 3.26Å |
| 1356 | T | 46.6 | Very low | 57.7 | Low | 57 Ų | 57 | 58.2 Ų | 58.2 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.9 | 176.7 | 47.5 | 0 | 0 | 0 | 0 | 112 | F1396 T1397 | T1356-F1396 WeakPolarHBondContact CA-O 3.39Å; T1356-T1397 HydrophobicContact CG2-CG2 3.66Å |
| 1357 | A | 53.6 | Low | 58.3 | Low | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1350 Y1359 N1395 F1396 I1586 | L1350-A1357 HydrophobicContact CD2-CB 3.19Å; A1357-Y1359 HydrophobicContact CB-CE2 4.06Å; A1357-N1395 WeakPolarHBondContact O-CA 3.16Å; A1357-F1396 PolarHBondContact N-O 3.33Å; A1357-F1396 VanDerWaalsContact N-O 3.13Å; A1357-F1396 PolarHBondContact O-N 3.44Å; A1357-I1586 HydrophobicContact CB-CD1 4.21Å |
| 1358 | K | 54.5 | Low | 58.8 | Low | 95 Ų | 95 | 46.3 Ų | 46.3 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116 | -179.5 | -166.2 | 174.5 | 178.4 | -159.6 | 0 | 108.3 | D1393 T1394 I1586 | K1358-D1393 WeakPolarHBondContact CE-OD1 3.2Å; K1358-D1393 WeakPolarHBondContact CE-OD2 3.38Å; K1358-D1393 HydrophobicContact CG-CB 4.48Å; K1358-D1393 VanDerWaalsContact NZ-CG 3.32Å; K1358-D1393 IonicContact NZ-OD1 2.92Å; K1358-D1393 IonicContact NZ-OD2 3.25Å; K1358-D1393 PolarHBondContact NZ-OD2 3.37Å; K1358-T1394 WeakPolarHBondContact CA-O 2.89Å; K1358-I1586 HydrophobicContact CB-CD1 4.45Å; K1358-I1586 WeakPolarHBondContact O-CD1 3.36Å |
| 1359 | Y | 59.6 | Low | 59.5 | Low | 37 Ų | 37 | 45.6 Ų | 45.6 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.1 | 178.5 | -66.9 | -73.3 | 0 | 0 | 0 | 110.7 | S1294 I1348 A1357 A1392 T1394 F1396 | S1294-Y1359 WeakPolarHBondContact OG-CE1 3.14Å; S1294-Y1359 PolarHBondContact OG-OH 3.2Å; I1348-Y1359 HydrophobicContact CG2-CE2 3.79Å; I1348-Y1359 WeakPolarHBondContact CG2-OH 3.4Å; A1357-Y1359 HydrophobicContact CB-CE2 4.06Å; Y1359-A1392 VanDerWaalsContact O-O 3.07Å; Y1359-T1394 PolarHBondContact N-O 3.38Å; Y1359-F1396 HydrophobicContact CD2-CB 4.39Å; Y1359-F1396 AromaticContact CD2-CD2 3.51Å; Y1359-F1396 HydrophobicContact CD2-CD2 3.51Å; Y1359-F1396 AromaticContact CD2-CE2 3.9Å; Y1359-F1396 HydrophobicContact CD2-CE2 3.9Å; Y1359-F1396 HydrophobicContact CD2-CG 4.07Å; Y1359-F1396 HydrophobicContact CE2-CB 4.1Å; Y1359-F1396 AromaticContact CE2-CD2 3.99Å; Y1359-F1396 HydrophobicContact CE2-CD2 3.99Å; Y1359-F1396 HydrophobicContact CE2-CG 4.05Å |
| 1360 | T | 58.1 | Low | 59.9 | Low | 52 Ų | 52 | 37.3 Ų | 37.3 | 32% | 0.319 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129 | -175.6 | -49.6 | 0 | 0 | 0 | 0 | 110.1 | V1362 T1390 A1392 D1393 | T1360-V1362 HydrophobicContact CG2-CG2 4.14Å; T1360-T1390 HydrophobicContact CG2-CG2 3.24Å; T1360-A1392 WeakPolarHBondContact CA-O 3.02Å; T1360-D1393 PolarHBondContact OG1-OD1 3.25Å |
| 1361 | V | 63.8 | Low | 60.1 | Low | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.2 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | I1289 V1342 I1363 L1391 | I1289-V1361 HydrophobicContact CG2-CG1 4.02Å; V1342-V1361 HydrophobicContact CG1-CG2 4.21Å; V1342-V1361 HydrophobicContact CG2-CG2 4.4Å; V1361-I1363 HydrophobicContact CG1-CG1 4.36Å; V1361-L1391 PolarHBondContact O-N 2.75Å; V1361-L1391 VanDerWaalsContact O-N 3.11Å |
| 1362 | V | 64.1 | Low | 60.5 | Low | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133 | -179 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | Y1290 T1360 T1388 I1583 | Y1290-V1362 HydrophobicContact CD2-CG1 4.47Å; Y1290-V1362 PolarHBondContact N-O 2.86Å; T1360-V1362 HydrophobicContact CG2-CG2 4.14Å; V1362-T1388 HydrophobicContact CG1-CG2 3.37Å; V1362-I1583 HydrophobicContact CB-CD1 4.3Å; V1362-I1583 HydrophobicContact CG2-CD1 4.22Å; V1362-I1583 HydrophobicContact CG2-CG1 4.48Å |
| 1363 | I | 70.4 | Confident | 60.9 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.4 | 178.6 | -59.9 | -160.7 | 0 | 0 | 0 | 109.3 | M1245 L1270 L1287 N1288 I1289 I1340 V1361 T1388 V1389 L1391 | M1245-I1363 HydrophobicContact CE-CB 4.32Å; M1245-I1363 HydrophobicContact CE-CG2 4.01Å; M1245-I1363 WeakPolarHBondContact CE-O 3.47Å; M1245-I1363 HydrophobicContact SD-CG2 4.06Å; L1270-I1363 HydrophobicContact CD1-CD1 4.03Å; L1270-I1363 HydrophobicContact CD1-CG2 4.14Å; L1287-I1363 HydrophobicContact CD1-CG2 3.32Å; L1287-I1363 HydrophobicContact CD2-CG2 4.35Å; L1287-I1363 HydrophobicContact CG-CG2 3.75Å; N1288-I1363 WeakPolarHBondContact O-CA 3.08Å; I1289-I1363 HydrophobicContact CB-CD1 4.36Å; I1289-I1363 HydrophobicContact CB-CG1 4.34Å; I1289-I1363 HydrophobicContact CD1-CD1 3.77Å; I1289-I1363 HydrophobicContact CG1-CD1 3.74Å; I1289-I1363 HydrophobicContact CG1-CG1 4.06Å; I1289-I1363 HydrophobicContact CG1-CG2 4.35Å; I1289-I1363 HydrophobicContact CG2-CD1 3.99Å; I1289-I1363 HydrophobicContact CG2-CG1 3.98Å; I1340-I1363 HydrophobicContact CD1-CD1 3.2Å; V1361-I1363 HydrophobicContact CG1-CG1 4.36Å; I1363-T1388 CarbonylContact O-C 3.54Å; I1363-T1388 VanDerWaalsContact O-CA 3.31Å; I1363-T1388 WeakPolarHBondContact O-CA 3.49Å; I1363-V1389 PolarHBondContact N-O 3.49Å; I1363-V1389 PolarHBondContact O-N 2.76Å; I1363-L1391 HydrophobicContact CB-CD1 3.92Å; I1363-L1391 HydrophobicContact CD1-CD1 3.21Å; I1363-L1391 HydrophobicContact CG1-CD1 3.43Å; I1363-L1391 VanDerWaalsContact CG1-CD1 3.43Å; I1363-L1391 HydrophobicContact CG1-CG 4.46Å |
| 1364 | E | 74.8 | Confident | 60.7 | Low | 19 Ų | 19 | 45.1 Ų | 45.1 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.7 | 176.9 | -179.2 | -163.2 | -155.4 | 0 | 0 | 108.8 | N1288 Y1290 V1366 K1386 R1387 | N1288-E1364 HydrophobicContact CB-CB 4.26Å; N1288-E1364 PolarHBondContact N-O 3.42Å; N1288-E1364 PolarHBondContact ND2-OE2 3.01Å; N1288-E1364 PolarHBondContact O-N 2.8Å; Y1290-E1364 HydrophobicContact CE2-CB 3.79Å; Y1290-E1364 PolarHBondContact OH-OE2 3.47Å; E1364-V1366 VanDerWaalsContact CD-CG2 3.41Å; E1364-V1366 HydrophobicContact CG-CG2 3.66Å; E1364-K1386 IonicContact OE1-NZ 2.88Å; E1364-K1386 PolarHBondContact OE1-NZ 3.14Å; E1364-R1387 CarbonylContact C-O 3.55Å; E1364-R1387 WeakPolarHBondContact CA-O 3.31Å |
| 1365 | L | 76.5 | Confident | 60.7 | Low | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 115.4 | 168 | -179.6 | 64.1 | 0 | 0 | 0 | 108.5 | I1243 M1245 M1272 H1285 L1287 K1386 R1387 | I1243-L1365 HydrophobicContact CB-CD2 4.5Å; I1243-L1365 HydrophobicContact CD1-CB 4.41Å; I1243-L1365 HydrophobicContact CD1-CD2 3.91Å; I1243-L1365 HydrophobicContact CD1-CG 3.91Å; M1245-L1365 HydrophobicContact CE-CB 4.12Å; M1245-L1365 HydrophobicContact SD-CB 3.88Å; M1272-L1365 HydrophobicContact CB-CD2 4.14Å; M1272-L1365 HydrophobicContact CG-CD2 4.06Å; M1272-L1365 HydrophobicContact SD-CD1 3.92Å; M1272-L1365 HydrophobicContact SD-CD2 3.95Å; M1272-L1365 HydrophobicContact SD-CG 4.45Å; H1285-L1365 HydrophobicContact CB-CD1 4.4Å; L1287-L1365 HydrophobicContact CD1-CB 4.27Å; L1287-L1365 HydrophobicContact CD1-CD1 4.2Å; L1365-K1386 WeakPolarHBondContact O-CA 3.19Å; L1365-R1387 PolarHBondContact N-O 3.03Å; L1365-R1387 PolarHBondContact O-N 2.94Å |
| 1366 | V | 73.5 | Confident | 60.1 | Low | 10 Ų | 10 | 50.7 Ų | 50.7 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.7 | 177 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | H1285 T1286 E1364 I1368 L1384 K1386 | H1285-V1366 CarbonylContact C-O 3.52Å; H1285-V1366 WeakPolarHBondContact CA-O 3.34Å; T1286-V1366 PolarHBondContact N-O 2.96Å; T1286-V1366 PolarHBondContact O-N 3.11Å; T1286-V1366 PolarHBondContact OG1-O 3.05Å; E1364-V1366 VanDerWaalsContact CD-CG2 3.41Å; E1364-V1366 HydrophobicContact CG-CG2 3.66Å; V1366-I1368 HydrophobicContact CG1-CG1 4.35Å; V1366-L1384 HydrophobicContact CG1-CD2 3.63Å; V1366-K1386 HydrophobicContact CG1-CG 4.37Å; V1366-K1386 HydrophobicContact CG2-CG 4.3Å |
| 1367 | C | 74 | Confident | 59.7 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.4 | 174.3 | 160.9 | 0 | 0 | 0 | 0 | 110.3 | T1241 I1243 C1282 L1384 S1385 | T1241-C1367 WeakPolarHBondContact CG2-SG 3.12Å; I1243-C1367 HydrophobicContact CD1-CB 3.94Å; I1243-C1367 HydrophobicContact CG2-CB 4.06Å; C1282-C1367 HydrophobicContact CB-CB 4.03Å; C1282-C1367 WeakPolarHBondContact CB-SG 3.47Å; C1282-C1367 WeakPolarHBondContact SG-CB 2.98Å; C1282-C1367 CovalentContact SG-SG 2Å; C1282-C1367 PolarHBondContact SG-SG 2.86Å; C1367-L1384 WeakPolarHBondContact O-CA 3.37Å; C1367-S1385 PolarHBondContact N-O 3.05Å; C1367-S1385 PolarHBondContact O-N 2.83Å; C1367-S1385 VanDerWaalsContact O-N 3.08Å |
| 1368 | I | 69.2 | Low | 58.9 | Low | 34 Ų | 34 | 56.7 Ų | 56.7 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.8 | 176.5 | -55.6 | 169.6 | 0 | 0 | 0 | 108.6 | S1283 R1284 V1366 F1383 L1384 | S1283-I1368 PolarHBondContact N-O 2.86Å; S1283-I1368 PolarHBondContact OG-O 2.88Å; R1284-I1368 HydrophobicContact CG-CB 3.79Å; R1284-I1368 HydrophobicContact CG-CD1 4.17Å; R1284-I1368 HydrophobicContact CG-CG1 4.4Å; R1284-I1368 HydrophobicContact CG-CG2 4.42Å; R1284-I1368 PolarHBondContact N-O 2.82Å; R1284-I1368 PolarHBondContact O-N 3.07Å; V1366-I1368 HydrophobicContact CG1-CG1 4.35Å; I1368-F1383 WeakPolarHBondContact CA-O 3.06Å; I1368-L1384 HydrophobicContact CG1-CD1 4.28Å; I1368-L1384 HydrophobicContact CG1-CG 4.11Å |
| 1369 | S | 69.7 | Low | 58.3 | Low | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 167 | 175.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | E1281 N1371 F1383 | E1281-S1369 WeakPolarHBondContact O-CA 3.19Å; E1281-S1369 WeakPolarHBondContact O-CB 3.38Å; S1369-N1371 PolarHBondContact O-N 2.91Å; S1369-F1383 PolarHBondContact N-O 3.02Å; S1369-F1383 VanDerWaalsContact OG-CA 3.24Å; S1369-F1383 WeakPolarHBondContact OG-CA 3.39Å; S1369-F1383 VanDerWaalsContact OG-CB 3.3Å; S1369-F1383 WeakPolarHBondContact OG-CB 3.18Å; S1369-F1383 WeakPolarHBondContact OG-CD1 3.23Å; S1369-F1383 PolarHBondContact OG-O 3.07Å |
| 1370 | T | 63.4 | Low | 57.4 | Low | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 125.8 | -175.1 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | R1204 S1283 R1372 | R1204-T1370 HydrophobicContact CG-CG2 3.9Å; S1283-T1370 WeakPolarHBondContact CB-OG1 3.22Å; T1370-R1372 PolarHBondContact O-N 2.87Å |
| 1371 | N | 57 | Low | 56.6 | Low | 142 Ų | 142 | 62.1 Ų | 62.1 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 122.5 | 176.1 | -157.4 | 10.2 | 0 | 0 | 0 | 110.3 | S1369 | S1369-N1371 PolarHBondContact O-N 2.91Š|
| 1372 | R | 57.8 | Low | 55.8 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | trans | -108.6 | 140.2 | -177.3 | -65.5 | -173 | -175.1 | -137.2 | -4 | 111.4 | D1202 S1203 V1206 N1207 T1370 E1374 | D1202-R1372 PolarHBondContact O-NH2 2.86Å; D1202-R1372 IonicContact OD1-CZ 3.19Å; D1202-R1372 IonicContact OD1-NH2 3Å; D1202-R1372 PolarHBondContact OD1-NH2 3.25Å; S1203-R1372 PolarHBondContact O-NH1 3.44Å; S1203-R1372 PolarHBondContact O-NH2 3.19Å; V1206-R1372 PolarHBondContact O-NH1 3.24Å; N1207-R1372 PolarHBondContact OD1-NH1 2.73Å; T1370-R1372 PolarHBondContact O-N 2.87Å; R1372-E1374 VanDerWaalsContact C-N 3.31Å; R1372-E1374 PolarHBondContact O-N 2.87Å | ||
| 1373 | P | 52.3 | Low | 55.1 | Low | 134 Ų | 134 | 67.2 Ų | 67.2 | 87% | 0.87 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.5 | -173.6 | -21.6 | 31.7 | 0 | 0 | 0 | 116 | ||
| 1374 | E | 45.2 | Very low | 54 | Low | 172 Ų | 172 | 70 Ų | 70 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.9 | -165 | -84 | -172 | 164.7 | 0 | 0 | 117.1 | R1372 | R1372-E1374 VanDerWaalsContact C-N 3.31Å; R1372-E1374 PolarHBondContact O-N 2.87Å |
| 1375 | Q | 42.3 | Very low | 53 | Low | 83 Ų | 83 | 69.9 Ų | 69.9 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | trans | -105.8 | 89.3 | 168.4 | -78.3 | -173.3 | -2 | 0 | 0 | 110.7 | N1377 | Q1375-N1377 PolarHBondContact O-N 2.92Š| ||
| 1376 | V | 35.5 | Very low | 52.2 | Low | 145 Ų | 145 | 75.3 Ų | 75.3 | 88% | 0.879 | 40% | 0.399 | S | S | * | . | trans | -71.4 | 74.6 | 169.8 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1377 | N | 37.5 | Very low | 51.5 | Low | 74 Ų | 74 | 79.3 Ų | 79.3 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | trans | -142.3 | 108.1 | 157.9 | -150.7 | -15.8 | 0 | 0 | 0 | 109.5 | Q1375 Y1379 | Q1375-N1377 PolarHBondContact O-N 2.92Å; N1377-Y1379 PolarHBondContact O-N 3.35Å; N1377-Y1379 WeakPolarHBondContact OD1-CD2 3.32Å; N1377-Y1379 VanDerWaalsContact OD1-CE2 3.23Å; N1377-Y1379 WeakPolarHBondContact OD1-CE2 3.44Å | ||
| 1378 | P | 38.3 | Very low | 50.6 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 75% | 0.747 | 44% | 0.435 | S | S | * | . | trans | -75.3 | 25.9 | -163.4 | 30.7 | -35.9 | 0 | 0 | 0 | 115.1 | I1380 | P1378-I1380 PolarHBondContact O-N 3.01Š| ||
| 1379 | Y | 41.6 | Very low | 50.1 | Low | 79 Ų | 79 | 82 Ų | 82 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | trans | -76.3 | 86.9 | 177.9 | -73.5 | -82.6 | 0 | 0 | 0 | 111.4 | N1377 S1381 R1382 F1383 F1599 | N1377-Y1379 PolarHBondContact O-N 3.35Å; N1377-Y1379 WeakPolarHBondContact OD1-CD2 3.32Å; N1377-Y1379 VanDerWaalsContact OD1-CE2 3.23Å; N1377-Y1379 WeakPolarHBondContact OD1-CE2 3.44Å; Y1379-S1381 PolarHBondContact O-N 3.05Å; Y1379-R1382 PolarHBondContact O-N 2.94Å; Y1379-F1383 VanDerWaalsContact O-CD2 3.32Å; Y1379-F1383 WeakPolarHBondContact O-CD2 2.97Å; Y1379-F1599 AromaticContact CE1-CE1 3.4Å; Y1379-F1599 HydrophobicContact CE1-CE1 3.4Å; Y1379-F1599 AromaticContact CE1-CZ 3.54Å; Y1379-F1599 HydrophobicContact CE1-CZ 3.54Å; Y1379-F1599 AromaticContact CZ-CE1 3.51Å; Y1379-F1599 AromaticContact CZ-CZ 3.8Å; Y1379-F1599 WeakPolarHBondContact OH-CE1 3.04Å; Y1379-F1599 WeakPolarHBondContact OH-CZ 3.26Å | ||
| 1380 | I | 41.2 | Very low | 49.4 | Very low | 128 Ų | 128 | 85.4 Ų | 85.4 | 66% | 0.656 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -50.4 | -30.2 | 173.4 | -65.2 | 172.6 | 0 | 0 | 0 | 111.7 | P1378 R1382 F1383 L1384 | P1378-I1380 PolarHBondContact O-N 3.01Å; I1380-R1382 VanDerWaalsContact C-N 3.31Å; I1380-R1382 PolarHBondContact O-N 2.84Å; I1380-F1383 PolarHBondContact O-N 3.24Å; I1380-L1384 HydrophobicContact CG2-CD1 4.1Å; I1380-L1384 PolarHBondContact O-N 3.34Å |
| 1381 | S | 41.3 | Very low | 49 | Very low | 91 Ų | 91 | 85.2 Ų | 85.2 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.1 | 179.1 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | Y1379 F1383 | Y1379-S1381 PolarHBondContact O-N 3.05Å; S1381-F1383 VanDerWaalsContact C-N 3.32Å |
| 1382 | R | 46.4 | Very low | 48.6 | Very low | 73 Ų | 73 | 78.8 Ų | 78.8 | 28% | 0.275 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -73.6 | -26.7 | 174.3 | -71.7 | -171.1 | -175.3 | 177.1 | 4.1 | 112.7 | G1237 Y1379 I1380 | G1237-R1382 PolarHBondContact O-NH1 3.22Å; Y1379-R1382 PolarHBondContact O-N 2.94Å; I1380-R1382 VanDerWaalsContact C-N 3.31Å; I1380-R1382 PolarHBondContact O-N 2.84Å |
| 1383 | F | 49.4 | Very low | 48.2 | Very low | 53 Ų | 53 | 80.5 Ų | 80.5 | 23% | 0.232 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -100.8 | 0.4 | -172.7 | -53.3 | -76.1 | 0 | 0 | 0 | 113.3 | I1368 S1369 Y1379 I1380 S1381 | I1368-F1383 WeakPolarHBondContact CA-O 3.06Å; S1369-F1383 PolarHBondContact N-O 3.02Å; S1369-F1383 VanDerWaalsContact OG-CA 3.24Å; S1369-F1383 WeakPolarHBondContact OG-CA 3.39Å; S1369-F1383 VanDerWaalsContact OG-CB 3.3Å; S1369-F1383 WeakPolarHBondContact OG-CB 3.18Å; S1369-F1383 WeakPolarHBondContact OG-CD1 3.23Å; S1369-F1383 PolarHBondContact OG-O 3.07Å; Y1379-F1383 VanDerWaalsContact O-CD2 3.32Å; Y1379-F1383 WeakPolarHBondContact O-CD2 2.97Å; I1380-F1383 PolarHBondContact O-N 3.24Å; S1381-F1383 VanDerWaalsContact C-N 3.32Å |
| 1384 | L | 46.9 | Very low | 47.9 | Very low | 58 Ų | 58 | 75 Ų | 75 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 107.3 | -173.7 | -125 | 133.8 | 0 | 0 | 0 | 109.6 | V1366 C1367 I1368 I1380 K1386 | V1366-L1384 HydrophobicContact CG1-CD2 3.63Å; C1367-L1384 WeakPolarHBondContact O-CA 3.37Å; I1368-L1384 HydrophobicContact CG1-CD1 4.28Å; I1368-L1384 HydrophobicContact CG1-CG 4.11Å; I1380-L1384 HydrophobicContact CG2-CD1 4.1Å; I1380-L1384 PolarHBondContact O-N 3.34Å; L1384-K1386 HydrophobicContact CD2-CD 4.49Å; L1384-K1386 HydrophobicContact CD2-CG 4.18Å |
| 1385 | S | 54.3 | Low | 48.1 | Very low | 18 Ų | 18 | 70.9 Ų | 70.9 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.6 | 175.7 | -158.8 | 0 | 0 | 0 | 0 | 109 | T1241 C1367 | T1241-S1385 WeakPolarHBondContact O-CB 3.11Å; T1241-S1385 PolarHBondContact O-OG 2.78Å; C1367-S1385 PolarHBondContact N-O 3.05Å; C1367-S1385 PolarHBondContact O-N 2.83Å; C1367-S1385 VanDerWaalsContact O-N 3.08Å |
| 1386 | K | 58.4 | Low | 48.4 | Very low | 115 Ų | 115 | 67.2 Ų | 67.2 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.7 | -177.6 | -65.8 | -172.9 | 167 | -147.7 | 0 | 110.2 | E1364 L1365 V1366 L1384 | E1364-K1386 IonicContact OE1-NZ 2.88Å; E1364-K1386 PolarHBondContact OE1-NZ 3.14Å; L1365-K1386 WeakPolarHBondContact O-CA 3.19Å; V1366-K1386 HydrophobicContact CG1-CG 4.37Å; V1366-K1386 HydrophobicContact CG2-CG 4.3Å; L1384-K1386 HydrophobicContact CD2-CD 4.49Å; L1384-K1386 HydrophobicContact CD2-CG 4.18Å |
| 1387 | R | 59.9 | Low | 48.9 | Very low | 94 Ų | 94 | 62.5 Ų | 62.5 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.7 | 170.2 | -73.4 | -65.7 | -173.3 | -165.1 | -2.3 | 109.9 | I1243 E1364 L1365 D1711 | I1243-R1387 HydrophobicContact CD1-CB 4.36Å; I1243-R1387 HydrophobicContact CD1-CG 4.2Å; I1243-R1387 HydrophobicContact CG1-CB 4.27Å; I1243-R1387 HydrophobicContact CG1-CG 3.63Å; I1243-R1387 WeakPolarHBondContact O-CG 3.25Å; I1243-R1387 PolarHBondContact O-NE 3.47Å; I1243-R1387 VanDerWaalsContact O-NE 3.16Å; E1364-R1387 CarbonylContact C-O 3.55Å; E1364-R1387 WeakPolarHBondContact CA-O 3.31Å; L1365-R1387 PolarHBondContact N-O 3.03Å; L1365-R1387 PolarHBondContact O-N 2.94Å; R1387-D1711 IonicContact NH1-OD1 3.29Å; R1387-D1711 PolarHBondContact NH1-OD1 3.46Å; R1387-D1711 VanDerWaalsContact NH1-OD1 3.07Å |
| 1388 | T | 55.7 | Low | 49.2 | Very low | 76 Ų | 76 | 63.3 Ų | 63.3 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.4 | -179.3 | -49.7 | 0 | 0 | 0 | 0 | 108.6 | V1362 I1363 | V1362-T1388 HydrophobicContact CG1-CG2 3.37Å; I1363-T1388 CarbonylContact O-C 3.54Å; I1363-T1388 VanDerWaalsContact O-CA 3.31Å; I1363-T1388 WeakPolarHBondContact O-CA 3.49Å |
| 1389 | V | 58 | Low | 49.5 | Very low | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.1 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | M1245 I1363 L1391 | M1245-V1389 HydrophobicContact CB-CG2 4.03Å; M1245-V1389 HydrophobicContact CE-CB 3.89Å; M1245-V1389 HydrophobicContact CE-CG2 3.54Å; M1245-V1389 HydrophobicContact CG-CG2 3.91Å; M1245-V1389 WeakPolarHBondContact O-CG2 3.39Å; I1363-V1389 PolarHBondContact N-O 3.49Å; I1363-V1389 PolarHBondContact O-N 2.76Å; V1389-L1391 HydrophobicContact CB-CD2 4.04Å; V1389-L1391 HydrophobicContact CG1-CD2 3.43Å; V1389-L1391 VanDerWaalsContact CG1-CD2 3.43Å; V1389-L1391 HydrophobicContact CG1-CG 4.21Å |
| 1390 | T | 55.6 | Low | 49.6 | Very low | 77 Ų | 77 | 60.2 Ų | 60.2 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | T1360 | T1360-T1390 HydrophobicContact CG2-CG2 3.24Å |
| 1391 | L | 54 | Low | 49.4 | Very low | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -26.5 | -160.4 | -63.9 | 171.7 | 0 | 0 | 0 | 115.6 | L1247 L1268 L1270 V1361 I1363 V1389 | L1247-L1391 HydrophobicContact CB-CD2 3.64Å; L1247-L1391 HydrophobicContact CD1-CB 4.37Å; L1247-L1391 HydrophobicContact CD1-CD2 3.71Å; L1247-L1391 HydrophobicContact CD2-CD2 4.32Å; L1247-L1391 WeakPolarHBondContact CD2-O 3.47Å; L1247-L1391 HydrophobicContact CG-CD2 4.07Å; L1268-L1391 HydrophobicContact CD1-CB 4.05Å; L1268-L1391 HydrophobicContact CD1-CD1 4.18Å; L1270-L1391 HydrophobicContact CD1-CD1 4.31Å; L1270-L1391 HydrophobicContact CD2-CD1 3.75Å; L1270-L1391 HydrophobicContact CD2-CD2 3.37Å; L1270-L1391 HydrophobicContact CD2-CG 4.22Å; L1270-L1391 HydrophobicContact CG-CD1 4.15Å; L1270-L1391 HydrophobicContact CG-CD2 4.46Å; V1361-L1391 PolarHBondContact O-N 2.75Å; V1361-L1391 VanDerWaalsContact O-N 3.11Å; I1363-L1391 HydrophobicContact CB-CD1 3.92Å; I1363-L1391 HydrophobicContact CD1-CD1 3.21Å; I1363-L1391 HydrophobicContact CG1-CD1 3.43Å; I1363-L1391 VanDerWaalsContact CG1-CD1 3.43Å; I1363-L1391 HydrophobicContact CG1-CG 4.46Å; V1389-L1391 HydrophobicContact CB-CD2 4.04Å; V1389-L1391 HydrophobicContact CG1-CD2 3.43Å; V1389-L1391 VanDerWaalsContact CG1-CD2 3.43Å; V1389-L1391 HydrophobicContact CG1-CG 4.21Å |
| 1392 | A | 49.9 | Very low | 49.6 | Very low | 7 Ų | 7 | 62.1 Ų | 62.1 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 131.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1266 L1268 Y1359 T1360 | L1266-A1392 HydrophobicContact CD2-CB 3.81Å; L1268-A1392 HydrophobicContact CD2-CB 4.17Å; Y1359-A1392 VanDerWaalsContact O-O 3.07Å; T1360-A1392 WeakPolarHBondContact CA-O 3.02Å |
| 1393 | D | 48.1 | Very low | 49.4 | Very low | 76 Ų | 76 | 67.2 Ų | 67.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 91.3 | -178.3 | -107.7 | -6.2 | 0 | 0 | 0 | 106.6 | K1358 T1360 | K1358-D1393 WeakPolarHBondContact CE-OD1 3.2Å; K1358-D1393 WeakPolarHBondContact CE-OD2 3.38Å; K1358-D1393 HydrophobicContact CG-CB 4.48Å; K1358-D1393 VanDerWaalsContact NZ-CG 3.32Å; K1358-D1393 IonicContact NZ-OD1 2.92Å; K1358-D1393 IonicContact NZ-OD2 3.25Å; K1358-D1393 PolarHBondContact NZ-OD2 3.37Å; T1360-D1393 PolarHBondContact OG1-OD1 3.25Å |
| 1394 | T | 47.5 | Very low | 49.2 | Very low | 20 Ų | 20 | 67.5 Ų | 67.5 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137 | -169.8 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | Y1260 K1358 Y1359 | Y1260-T1394 HydrophobicContact CD2-CG2 4.13Å; Y1260-T1394 HydrophobicContact CE2-CG2 3.42Å; Y1260-T1394 VanDerWaalsContact CE2-CG2 3.42Å; K1358-T1394 WeakPolarHBondContact CA-O 2.89Å; Y1359-T1394 PolarHBondContact N-O 3.38Å |
| 1395 | N | 48.3 | Very low | 48.8 | Very low | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.3 | 179.3 | -70.5 | -24.8 | 0 | 0 | 0 | 109.9 | A1357 | A1357-N1395 WeakPolarHBondContact O-CA 3.16Å |
| 1396 | F | 47.9 | Very low | 47.9 | Very low | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.8 | 173.5 | -88 | -105.5 | 0 | 0 | 0 | 110.5 | Y1260 F1344 I1348 T1356 A1357 Y1359 | Y1260-F1396 VanDerWaalsContact C-CE1 3.4Å; Y1260-F1396 HydrophobicContact CD2-CE2 4.22Å; Y1260-F1396 HydrophobicContact CG-CE2 4.16Å; Y1260-F1396 HydrophobicContact CG-CZ 4.02Å; Y1260-F1396 WeakPolarHBondContact O-CD1 3.37Å; Y1260-F1396 VanDerWaalsContact O-CE1 3.26Å; Y1260-F1396 WeakPolarHBondContact O-CE1 3.11Å; F1344-F1396 HydrophobicContact CD1-CZ 4.19Å; F1344-F1396 HydrophobicContact CD2-CZ 4.09Å; F1344-F1396 HydrophobicContact CE1-CE2 4.31Å; F1344-F1396 HydrophobicContact CE1-CZ 4.14Å; F1344-F1396 HydrophobicContact CE2-CZ 4.04Å; F1344-F1396 HydrophobicContact CG-CZ 4.17Å; F1344-F1396 HydrophobicContact CZ-CE2 4.19Å; F1344-F1396 HydrophobicContact CZ-CZ 4.07Å; I1348-F1396 HydrophobicContact CD1-CD1 3.66Å; I1348-F1396 HydrophobicContact CD1-CE1 3.24Å; I1348-F1396 HydrophobicContact CD1-CZ 3.9Å; T1356-F1396 WeakPolarHBondContact CA-O 3.39Å; A1357-F1396 PolarHBondContact N-O 3.33Å; A1357-F1396 VanDerWaalsContact N-O 3.13Å; A1357-F1396 PolarHBondContact O-N 3.44Å; Y1359-F1396 HydrophobicContact CD2-CB 4.39Å; Y1359-F1396 AromaticContact CD2-CD2 3.51Å; Y1359-F1396 HydrophobicContact CD2-CD2 3.51Å; Y1359-F1396 AromaticContact CD2-CE2 3.9Å; Y1359-F1396 HydrophobicContact CD2-CE2 3.9Å; Y1359-F1396 HydrophobicContact CD2-CG 4.07Å; Y1359-F1396 HydrophobicContact CE2-CB 4.1Å; Y1359-F1396 AromaticContact CE2-CD2 3.99Å; Y1359-F1396 HydrophobicContact CE2-CD2 3.99Å; Y1359-F1396 HydrophobicContact CE2-CG 4.05Å |
| 1397 | T | 46.7 | Very low | 46.8 | Very low | 46 Ų | 46 | 79.2 Ų | 79.2 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.3 | 177.2 | 5.3 | 0 | 0 | 0 | 0 | 112.2 | F1259 N1355 T1356 I1399 | F1259-T1397 WeakPolarHBondContact CD1-OG1 3.17Å; F1259-T1397 VanDerWaalsContact CG-OG1 3.32Å; F1259-T1397 WeakPolarHBondContact CG-OG1 3.48Å; N1355-T1397 CarbonylContact O-C 3.45Å; N1355-T1397 WeakPolarHBondContact O-CA 3.13Å; T1356-T1397 HydrophobicContact CG2-CG2 3.66Å; T1397-I1399 PolarHBondContact O-N 3.29Å |
| 1398 | N | 43.6 | Very low | 45.5 | Very low | 90 Ų | 90 | 79.1 Ų | 79.1 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | trans | -70.9 | 110.6 | 174.4 | -160.5 | -20.7 | 0 | 0 | 0 | 110.9 | L1350 N1355 | L1350-N1398 HydrophobicContact CD1-CB 3.49Å; L1350-N1398 VanDerWaalsContact CD1-CB 3.49Å; N1355-N1398 PolarHBondContact O-N 3.47Å | ||
| 1399 | I | 44.5 | Very low | 44.1 | Very low | 78 Ų | 78 | 83.9 Ų | 83.9 | 40% | 0.4 | 45% | 0.448 | S | S | . | . | trans | -106.2 | 90.7 | -178.3 | -58.8 | 161.2 | 0 | 0 | 0 | 108.4 | T1397 H1507 | T1397-I1399 PolarHBondContact O-N 3.29Å; I1399-H1507 HydrophobicContact CG2-CB 3.93Å; I1399-H1507 VanDerWaalsContact CG2-CD2 3.44Å; I1399-H1507 WeakPolarHBondContact CG2-CD2 3.37Å | ||
| 1400 | A | 43.3 | Very low | 42.8 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | trans | -98.5 | 118.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1402 | A1400-Q1402 HydrophobicContact CB-CG 4.34Å; A1400-Q1402 PolarHBondContact O-N 2.99Å | ||
| 1401 | T | 37.1 | Very low | 41.5 | Very low | 138 Ų | 138 | 91.3 Ų | 91.3 | 85% | 0.847 | 49% | 0.488 | S | S | * | . | trans | -69.8 | 91.6 | 171.5 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1402 | Q | 45.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | trans | -124 | 142.4 | -179.4 | -73.4 | -176.1 | -6.9 | 0 | 0 | 112.7 | A1400 Y1456 | A1400-Q1402 HydrophobicContact CB-CG 4.34Å; A1400-Q1402 PolarHBondContact O-N 2.99Å; Q1402-Y1456 PolarHBondContact OE1-OH 3.27Å | ||
| 1403 | K | 42.9 | Very low | 39.2 | Very low | 180 Ų | 180 | 109.4 Ų | 109.4 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -72 | 130.3 | -170.5 | -69.9 | 178.6 | 176.3 | 178.7 | 0 | 111.7 | I1540 | K1403-I1540 HydrophobicContact CB-CD1 4.42Å; K1403-I1540 WeakPolarHBondContact O-CD1 3.49Å |
| 1404 | C | 45.3 | Very low | 38.2 | Very low | 59 Ų | 59 | 114 Ų | 114 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -85.8 | 153.7 | 168.8 | -76.5 | 0 | 0 | 0 | 0 | 111.4 | L1508 C1537 | C1404-L1508 WeakPolarHBondContact SG-CD1 3.49Å; C1404-C1537 HydrophobicContact CB-CB 3.77Å; C1404-C1537 WeakPolarHBondContact CB-SG 2.99Å; C1404-C1537 WeakPolarHBondContact SG-CB 3.39Å; C1404-C1537 CovalentContact SG-SG 2.05Å; C1404-C1537 PolarHBondContact SG-SG 3.32Å |
| 1405 | D | 37.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 157.5 | 164.6 | -128.2 | -22.1 | 0 | 0 | 0 | 112 | ||
| 1406 | K | 37 | Very low | 36.8 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 140.3 | -168.6 | -78.8 | 179.6 | 177.3 | 176.1 | 0 | 114.7 | V1408 | K1406-V1408 PolarHBondContact O-N 3.01Š|
| 1407 | V | 34.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -47.6 | 112 | 178 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1408 | V | 32.4 | Very low | 35.6 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 56% | 0.558 | 69% | 0.689 | S | S | * | * | trans | -87 | 125.9 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 109 | K1406 L1410 S1428 | K1406-V1408 PolarHBondContact O-N 3.01Å; V1408-L1410 HydrophobicContact CG1-CD1 4.35Å; V1408-L1410 HydrophobicContact CG1-CG 4.43Å; V1408-S1428 VanDerWaalsContact O-CB 3.29Å; V1408-S1428 WeakPolarHBondContact O-CB 3.48Å | ||
| 1409 | K | 27.7 | Very low | 35.3 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -101.1 | 126.9 | 167.6 | -91 | 179.2 | 171.3 | 178.7 | 0 | 108.1 | ||||
| 1410 | L | 30.7 | Very low | 35.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 63% | 0.634 | 70% | 0.701 | S | S | * | * | trans | -123 | 121.5 | 168.5 | -88.6 | 157.3 | 0 | 0 | 0 | 110.1 | V1408 S1428 | V1408-L1410 HydrophobicContact CG1-CD1 4.35Å; V1408-L1410 HydrophobicContact CG1-CG 4.43Å; L1410-S1428 PolarHBondContact N-OG 2.86Å | ||
| 1411 | T | 27.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -80.6 | 150.9 | 169.5 | 32.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1412 | E | 27.7 | Very low | 35 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 82.2 | 109.5 | 166.1 | -66.1 | -177.7 | 163.9 | 0 | 0 | 118.6 | Q1414 | E1412-Q1414 PolarHBondContact O-N 3.41Š|
| 1413 | K | 27.1 | Very low | 34.5 | Very low | 210 Ų | 210 | 125.9 Ų | 125.9 | 91% | 0.913 | 66% | 0.664 | S | S | * | * | trans | -47.3 | 104.1 | 168.8 | -80.8 | 177.3 | 170.4 | 178 | 0 | 111.1 | ||||
| 1414 | Q | 28.5 | Very low | 34.2 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | -83.1 | 121.3 | 157.8 | -80.5 | -172 | -12.8 | 0 | 0 | 109.1 | E1412 I1416 | E1412-Q1414 PolarHBondContact O-N 3.41Å; Q1414-I1416 PolarHBondContact O-N 3.02Å | ||
| 1415 | N | 32.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 119.4 Ų | 119.4 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | trans | -62.5 | 96.4 | 166.8 | -83 | -24.2 | 0 | 0 | 0 | 108.7 | P1417 | N1415-P1417 VanDerWaalsContact O-CD 3.31Å; N1415-P1417 WeakPolarHBondContact O-CD 3.4Å | ||
| 1416 | I | 34 | Very low | 33.7 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 52% | 0.523 | 64% | 0.635 | S | S | . | * | trans | -79.9 | 113.5 | 172.3 | -59.3 | 171.9 | 0 | 0 | 0 | 107.4 | Q1414 N1418 | Q1414-I1416 PolarHBondContact O-N 3.02Å; I1416-N1418 PolarHBondContact O-N 3.24Å | ||
| 1417 | P | 33 | Very low | 33.4 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | trans | -73 | 126.5 | 178.4 | -7.3 | 24.4 | 0 | 0 | 0 | 110.4 | N1415 C1419 | N1415-P1417 VanDerWaalsContact O-CD 3.31Å; N1415-P1417 WeakPolarHBondContact O-CD 3.4Å; P1417-C1419 PolarHBondContact O-N 2.9Å; P1417-C1419 VanDerWaalsContact O-N 3.1Å | ||
| 1418 | N | 36.3 | Very low | 33.4 | Very low | 164 Ų | 164 | 105.8 Ų | 105.8 | 88% | 0.877 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 49 | 35 | 156.6 | -68.8 | -5.1 | 0 | 0 | 0 | 119.6 | I1416 | I1416-N1418 PolarHBondContact O-N 3.24Š|
| 1419 | C | 37.1 | Very low | 33.5 | Very low | 48 Ų | 48 | 103.6 Ų | 103.6 | 32% | 0.324 | 56% | 0.56 | S | S | . | * | trans | -86.4 | 101 | 147.1 | -155.1 | 0 | 0 | 0 | 0 | 105.2 | P1417 V1421 C1549 | P1417-C1419 PolarHBondContact O-N 2.9Å; P1417-C1419 VanDerWaalsContact O-N 3.1Å; C1419-V1421 PolarHBondContact O-N 2.9Å; C1419-C1549 WeakPolarHBondContact CB-SG 3.26Å; C1419-C1549 WeakPolarHBondContact SG-CB 3.43Å; C1419-C1549 CovalentContact SG-SG 2.08Å; C1419-C1549 PolarHBondContact SG-SG 3.13Å | ||
| 1420 | S | 39 | Very low | 33.5 | Very low | 116 Ų | 116 | 101.6 Ų | 101.6 | 81% | 0.811 | 55% | 0.553 | S | S | * | * | trans | -47.3 | 110.3 | -179.1 | -18.6 | 0 | 0 | 0 | 0 | 108.7 | N1422 | S1420-N1422 PolarHBondContact O-N 2.66Š| ||
| 1421 | V | 38.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 100.4 Ų | 100.4 | 70% | 0.703 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -7.6 | 111.2 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | C1419 | C1419-V1421 PolarHBondContact O-N 2.9Š|
| 1422 | N | 41.5 | Very low | 33.5 | Very low | 39 Ų | 39 | 100 Ų | 100 | 21% | 0.209 | 54% | 0.539 | C | S | . | . | S | Bend | trans | 148.6 | 18.8 | 155.9 | -77.3 | -8 | 0 | 0 | 0 | 115.8 | S1420 P1446 T1448 L1450 | S1420-N1422 PolarHBondContact O-N 2.66Å; N1422-P1446 PolarHBondContact ND2-O 2.71Å; N1422-T1448 WeakPolarHBondContact CA-O 3.36Å; N1422-T1448 WeakPolarHBondContact CB-O 3.35Å; N1422-T1448 PolarHBondContact ND2-N 3.34Å; N1422-T1448 PolarHBondContact OD1-O 2.87Å; N1422-L1450 PolarHBondContact O-N 3.23Å |
| 1423 | S | 34.6 | Very low | 33.9 | Very low | 22 Ų | 22 | 93.2 Ų | 93.2 | 15% | 0.154 | 51% | 0.51 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 107.2 | 176.1 | 148.8 | 0 | 0 | 0 | 0 | 108.2 | P1548 C1549 | S1423-P1548 WeakPolarHBondContact OG-CB 3.06Å; S1423-C1549 PolarHBondContact OG-N 2.85Å; S1423-C1549 PolarHBondContact OG-SG 3.34Å |
| 1424 | L | 35.9 | Very low | 33.9 | Very low | 51 Ų | 51 | 85.9 Ų | 85.9 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | trans | -113.9 | 93.6 | -178.3 | -86.8 | 147.3 | 0 | 0 | 0 | 108.4 | T1426 L1427 V1433 | L1424-T1426 PolarHBondContact O-N 3.35Å; L1424-L1427 HydrophobicContact CB-CD1 4.08Å; L1424-L1427 HydrophobicContact CD1-CD1 3.91Å; L1424-L1427 HydrophobicContact CD2-CD1 3.94Å; L1424-L1427 HydrophobicContact CG-CD1 4.19Å; L1424-V1433 HydrophobicContact CD1-CG2 4.3Å | ||
| 1425 | S | 36.9 | Very low | 34 | Very low | 52 Ų | 52 | 80 Ų | 80 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12 | -171.5 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1426 | T | 35.2 | Very low | 33.9 | Very low | 98 Ų | 98 | 77 Ų | 77 | 60% | 0.601 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.6 | 61.3 | -178.1 | 43.9 | 0 | 0 | 0 | 0 | 113.4 | L1424 S1428 | L1424-T1426 PolarHBondContact O-N 3.35Å; T1426-S1428 PolarHBondContact O-N 3.15Å |
| 1427 | L | 32.3 | Very low | 33.7 | Very low | 38 Ų | 38 | 75.7 Ų | 75.7 | 20% | 0.199 | 46% | 0.463 | C | S | . | . | trans | -73.2 | 129.8 | 178.5 | -148 | 87 | 0 | 0 | 0 | 112.9 | L1424 D1431 | L1424-L1427 HydrophobicContact CB-CD1 4.08Å; L1424-L1427 HydrophobicContact CD1-CD1 3.91Å; L1424-L1427 HydrophobicContact CD2-CD1 3.94Å; L1424-L1427 HydrophobicContact CG-CD1 4.19Å; L1427-D1431 HydrophobicContact CD1-CB 4.21Å | ||
| 1428 | S | 32.5 | Very low | 33.6 | Very low | 16 Ų | 16 | 76 Ų | 76 | 11% | 0.112 | 47% | 0.465 | C | S | . | . | trans | -105.8 | 140.3 | 155.2 | 103.3 | 0 | 0 | 0 | 0 | 107.3 | V1408 L1410 T1426 H1430 | V1408-S1428 VanDerWaalsContact O-CB 3.29Å; V1408-S1428 WeakPolarHBondContact O-CB 3.48Å; L1410-S1428 PolarHBondContact N-OG 2.86Å; T1426-S1428 PolarHBondContact O-N 3.15Å; S1428-H1430 VanDerWaalsContact C-N 3.26Å; S1428-H1430 PolarHBondContact O-N 3.28Å | ||
| 1429 | I | 34.4 | Very low | 33.2 | Very low | 46 Ų | 46 | 74.6 Ų | 74.6 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -69.9 | 33.2 | -149.7 | -72 | 142.7 | 0 | 0 | 0 | 117.3 | I1534 Y1535 G1536 | I1429-I1534 WeakPolarHBondContact CG2-O 3.31Å; I1429-Y1535 HydrophobicContact CG2-CD1 4.01Å; I1429-Y1535 HydrophobicContact CG2-CG 4.43Å; I1429-G1536 WeakPolarHBondContact CD1-O 3.46Å |
| 1430 | H | 28.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 77.2 Ų | 77.2 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | trans | -139.6 | 54.6 | 177.5 | -74.2 | -21.6 | 0 | 0 | 0 | 114.6 | S1428 | S1428-H1430 VanDerWaalsContact C-N 3.26Å; S1428-H1430 PolarHBondContact O-N 3.28Å | ||
| 1431 | D | 28.9 | Very low | 32.8 | Very low | 96 Ų | 96 | 77.6 Ų | 77.6 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | trans | -114.6 | 132.7 | 172.3 | -84 | -35.1 | 0 | 0 | 0 | 113.5 | L1427 | L1427-D1431 HydrophobicContact CD1-CB 4.21Š| ||
| 1432 | I | 29 | Very low | 32.5 | Very low | 120 Ų | 120 | 78.2 Ų | 78.2 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | trans | -96 | 103.7 | 174.7 | -61.4 | 175.1 | 0 | 0 | 0 | 106.8 | S1531 | I1432-S1531 VanDerWaalsContact CG2-CB 3.49Š| ||
| 1433 | V | 36.8 | Very low | 32.3 | Very low | 41 Ų | 41 | 80.7 Ų | 80.7 | 25% | 0.248 | 50% | 0.497 | C | S | . | . | trans | -86.1 | 110 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L1424 S1531 | L1424-V1433 HydrophobicContact CD1-CG2 4.3Å; V1433-S1531 WeakPolarHBondContact O-CA 3.4Å; V1433-S1531 WeakPolarHBondContact O-CB 3.35Å | ||
| 1434 | G | 27.8 | Very low | 32.8 | Very low | 55 Ų | 55 | 84.6 Ų | 84.6 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | trans | -105.9 | 125.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1435 | G | 30.2 | Very low | 33.2 | Very low | 50 Ų | 50 | 88 Ų | 88 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | trans | -123 | 135.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1529 | G1435-N1529 PolarHBondContact O-OD1 3.36Š| ||
| 1436 | S | 30.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 87.1 Ų | 87.1 | 69% | 0.685 | 52% | 0.52 | S | S | * | . | trans | -109.5 | 119.2 | 172.8 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1437 | Q | 29.3 | Very low | 35.5 | Very low | 73 Ų | 73 | 83.8 Ų | 83.8 | 34% | 0.341 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 137.6 | -179.1 | -82.2 | 177.3 | -20.9 | 0 | 0 | 111.9 | Q1445 N1527 | Q1437-Q1445 PolarHBondContact NE2-O 3.15Å; Q1437-N1527 PolarHBondContact O-ND2 3.38Å; Q1437-N1527 PolarHBondContact O-OD1 2.73Å; Q1437-N1527 VanDerWaalsContact O-OD1 3.1Å |
| 1438 | P | 30.4 | Very low | 37.1 | Very low | 122 Ų | 122 | 82.5 Ų | 82.5 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 155.8 | 169.5 | -0.5 | 20.1 | 0 | 0 | 0 | 112.6 | ||
| 1439 | N | 28.4 | Very low | 38.9 | Very low | 136 Ų | 136 | 82.3 Ų | 82.3 | 73% | 0.727 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -51.6 | 145.2 | -173.5 | -99.4 | -22.2 | 0 | 0 | 0 | 117.6 | ||
| 1440 | S | 30 | Very low | 40.4 | Very low | 103 Ų | 103 | 80.1 Ų | 80.1 | 72% | 0.72 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 76.3 | 113.1 | 152.5 | 66 | 0 | 0 | 0 | 0 | 119.5 | ||
| 1441 | S | 37 | Very low | 42.4 | Very low | 124 Ų | 124 | 74.3 Ų | 74.3 | 87% | 0.867 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 86.3 | 8.3 | 156.7 | -47.3 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1442 | I | 33.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 71.3 Ų | 71.3 | 66% | 0.656 | 44% | 0.435 | S | S | * | . | trans | -129.3 | 69.3 | 166.5 | -48.6 | 175.5 | 0 | 0 | 0 | 108.2 | Q1445 | I1442-Q1445 HydrophobicContact CG2-CG 4.43Š| ||
| 1443 | S | 36.9 | Very low | 46.3 | Very low | 91 Ų | 91 | 66.4 Ų | 66.4 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 142 | 169.6 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1444 | H | 44.4 | Very low | 47.9 | Very low | 104 Ų | 104 | 65.8 Ų | 65.8 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 24 | 175.4 | -37.2 | 92.3 | 0 | 0 | 0 | 118.8 | P1446 I1517 | H1444-P1446 VanDerWaalsContact O-CD 3.22Å; H1444-P1446 WeakPolarHBondContact O-CD 3.19Å; H1444-I1517 HydrophobicContact CB-CG2 4.46Å |
| 1445 | Q | 45.3 | Very low | 50 | Low | 122 Ų | 122 | 63.9 Ų | 63.9 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | trans | -63.8 | 120.1 | 169.2 | -100.7 | -171.2 | -1 | 0 | 0 | 111.4 | Q1437 I1442 | Q1437-Q1445 PolarHBondContact NE2-O 3.15Å; I1442-Q1445 HydrophobicContact CG2-CG 4.43Å | ||
| 1446 | P | 56.2 | Low | 51.9 | Low | 34 Ų | 34 | 62.4 Ų | 62.4 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | trans | -92 | 155.4 | -170.5 | 35.2 | -34.8 | 0 | 0 | 0 | 114.3 | N1422 H1444 H1515 F1516 I1517 | N1422-P1446 PolarHBondContact ND2-O 2.71Å; H1444-P1446 VanDerWaalsContact O-CD 3.22Å; H1444-P1446 WeakPolarHBondContact O-CD 3.19Å; P1446-H1515 VanDerWaalsContact CB-CD2 3.46Å; P1446-H1515 WeakPolarHBondContact CB-CD2 3.13Å; P1446-H1515 WeakPolarHBondContact CB-NE2 3.41Å; P1446-H1515 WeakPolarHBondContact CG-NE2 3.4Å; P1446-F1516 CarbonylContact C-O 3.48Å; P1446-F1516 VanDerWaalsContact CA-O 3.32Å; P1446-F1516 WeakPolarHBondContact CA-O 3.49Å; P1446-F1516 WeakPolarHBondContact CB-O 3.5Å; P1446-I1517 HydrophobicContact CB-CG1 3.61Å | ||
| 1447 | I | 63.4 | Low | 53.9 | Low | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.8 | 168.5 | -55.8 | 179.2 | 0 | 0 | 0 | 107.9 | I1449 H1515 F1516 F1530 | I1447-I1449 HydrophobicContact CG2-CD1 4.46Å; I1447-I1449 HydrophobicContact CG2-CG1 4.23Å; I1447-H1515 CarbonylContact O-C 3.31Å; I1447-H1515 WeakPolarHBondContact O-CA 3.13Å; I1447-F1516 HydrophobicContact CB-CB 4.23Å; I1447-F1516 HydrophobicContact CB-CD2 4.46Å; I1447-F1516 PolarHBondContact N-O 3.46Å; I1447-F1516 WeakPolarHBondContact O-CD2 3.13Å; I1447-F1516 PolarHBondContact O-N 2.96Å; I1447-F1530 HydrophobicContact CD1-CD1 4.42Å; I1447-F1530 HydrophobicContact CD1-CE1 3.7Å; I1447-F1530 HydrophobicContact CD1-CE2 3.89Å; I1447-F1530 HydrophobicContact CD1-CZ 3.39Å; I1447-F1530 HydrophobicContact CG1-CE1 4.44Å; I1447-F1530 HydrophobicContact CG1-CZ 4.11Å |
| 1448 | T | 65.5 | Low | 55.6 | Low | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.4 | 173.6 | -44.8 | 0 | 0 | 0 | 0 | 109.3 | N1422 L1450 F1485 L1514 H1515 F1553 | N1422-T1448 WeakPolarHBondContact CA-O 3.36Å; N1422-T1448 WeakPolarHBondContact CB-O 3.35Å; N1422-T1448 PolarHBondContact ND2-N 3.34Å; N1422-T1448 PolarHBondContact OD1-O 2.87Å; T1448-L1450 HydrophobicContact CG2-CG 4.45Å; T1448-F1485 HydrophobicContact CG2-CE1 3.97Å; T1448-F1485 HydrophobicContact CG2-CE2 3.81Å; T1448-F1485 HydrophobicContact CG2-CZ 3.29Å; T1448-L1514 CarbonylContact C-O 3.6Å; T1448-L1514 WeakPolarHBondContact CA-O 3.3Å; T1448-H1515 PolarHBondContact OG1-CD2 2.8Å; T1448-H1515 PolarHBondContact OG1-NE2 2.83Å; T1448-F1553 HydrophobicContact CG2-CD1 4.48Å; T1448-F1553 HydrophobicContact CG2-CE1 3.63Å; T1448-F1553 HydrophobicContact CG2-CZ 3.7Å |
| 1449 | I | 70.3 | Confident | 57.4 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 104.3 | 176.1 | -62.4 | 177.4 | 0 | 0 | 0 | 104.9 | I1447 F1451 G1513 L1514 F1516 I1534 | I1447-I1449 HydrophobicContact CG2-CD1 4.46Å; I1447-I1449 HydrophobicContact CG2-CG1 4.23Å; I1449-F1451 HydrophobicContact CG2-CD1 4.28Å; I1449-F1451 HydrophobicContact CG2-CE1 3.63Å; I1449-F1451 HydrophobicContact CG2-CE2 4.43Å; I1449-F1451 HydrophobicContact CG2-CZ 3.71Å; I1449-G1513 CarbonylContact O-C 3.59Å; I1449-G1513 VanDerWaalsContact O-C 3.28Å; I1449-G1513 WeakPolarHBondContact O-CA 3.37Å; I1449-L1514 PolarHBondContact N-O 2.78Å; I1449-L1514 PolarHBondContact O-N 3.33Å; I1449-F1516 HydrophobicContact CD1-CE2 4.02Å; I1449-I1534 HydrophobicContact CD1-CD1 3.4Å |
| 1450 | L | 65.6 | Low | 59.5 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.7 | 171 | -74.3 | 178.4 | 0 | 0 | 0 | 110.4 | N1422 T1448 T1479 F1485 R1512 F1546 P1548 F1553 | N1422-L1450 PolarHBondContact O-N 3.23Å; T1448-L1450 HydrophobicContact CG2-CG 4.45Å; L1450-T1479 HydrophobicContact CD2-CG2 3.8Å; L1450-F1485 HydrophobicContact CD2-CE2 4.21Å; L1450-F1485 HydrophobicContact CD2-CZ 3.66Å; L1450-F1485 HydrophobicContact CG-CZ 4.39Å; L1450-R1512 CarbonylContact C-O 3.58Å; L1450-R1512 WeakPolarHBondContact CA-O 3.4Å; L1450-F1546 HydrophobicContact CB-CZ 4.49Å; L1450-F1546 HydrophobicContact CD1-CE2 4.24Å; L1450-F1546 HydrophobicContact CD2-CZ 4.26Å; L1450-P1548 HydrophobicContact CB-CB 3.78Å; L1450-P1548 HydrophobicContact CD1-CB 4.28Å; L1450-F1553 HydrophobicContact CD1-CE1 3.38Å; L1450-F1553 HydrophobicContact CD1-CE2 4.4Å; L1450-F1553 HydrophobicContact CD1-CZ 3.27Å; L1450-F1553 HydrophobicContact CD2-CE1 4.08Å; L1450-F1553 HydrophobicContact CG-CE1 3.73Å; L1450-F1553 HydrophobicContact CG-CZ 3.75Å |
| 1451 | F | 72.1 | Confident | 61.1 | Low | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.4 | 171.4 | -52 | -66.1 | 0 | 0 | 0 | 109 | I1449 Q1453 V1455 T1511 R1512 L1514 F1546 | I1449-F1451 HydrophobicContact CG2-CD1 4.28Å; I1449-F1451 HydrophobicContact CG2-CE1 3.63Å; I1449-F1451 HydrophobicContact CG2-CE2 4.43Å; I1449-F1451 HydrophobicContact CG2-CZ 3.71Å; F1451-Q1453 WeakPolarHBondContact CB-O 3.48Å; F1451-Q1453 PolarHBondContact O-N 3.13Å; F1451-Q1453 VanDerWaalsContact O-N 3.13Å; F1451-V1455 HydrophobicContact CB-CG2 3.7Å; F1451-V1455 HydrophobicContact CD1-CG2 3.87Å; F1451-V1455 HydrophobicContact CD2-CB 4.05Å; F1451-V1455 HydrophobicContact CD2-CG2 3.99Å; F1451-V1455 HydrophobicContact CE2-CB 4.4Å; F1451-V1455 HydrophobicContact CG-CB 4.16Å; F1451-V1455 HydrophobicContact CG-CG2 3.57Å; F1451-T1511 HydrophobicContact CD2-CG2 4.18Å; F1451-T1511 HydrophobicContact CE2-CG2 3.78Å; F1451-R1512 PolarHBondContact N-O 2.86Å; F1451-L1514 HydrophobicContact CE2-CD1 4.24Å; F1451-L1514 HydrophobicContact CE2-CG 4.3Å; F1451-L1514 HydrophobicContact CZ-CD1 4.31Å; F1451-F1546 WeakPolarHBondContact O-CE1 3.15Å; F1451-F1546 VanDerWaalsContact O-CZ 3.25Å; F1451-F1546 WeakPolarHBondContact O-CZ 3.41Å |
| 1452 | D | 66.9 | Low | 62.4 | Low | 32 Ų | 32 | 39.8 Ų | 39.8 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | -22.9 | 176.2 | 69.8 | -38.6 | 0 | 0 | 0 | 113.3 | K1545 F1546 P1548 | D1452-K1545 VanDerWaalsContact O-CA 3.3Å; D1452-K1545 WeakPolarHBondContact O-CA 3.22Å; D1452-F1546 WeakPolarHBondContact CA-O 3.48Å; D1452-F1546 PolarHBondContact O-N 3.48Å; D1452-P1548 HydrophobicContact CB-CG 4.02Å |
| 1453 | Q | 71.2 | Confident | 63.8 | Low | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 170.2 | -179.9 | 72.8 | -146.4 | -60.5 | 0 | 0 | 111.3 | F1451 V1455 K1538 D1542 K1545 | F1451-Q1453 WeakPolarHBondContact CB-O 3.48Å; F1451-Q1453 PolarHBondContact O-N 3.13Å; F1451-Q1453 VanDerWaalsContact O-N 3.13Å; Q1453-V1455 PolarHBondContact O-N 3.12Å; Q1453-K1538 HydrophobicContact CG-CD 4.47Å; Q1453-D1542 WeakPolarHBondContact CA-OD2 3.42Å; Q1453-D1542 HydrophobicContact CB-CB 4.32Å; Q1453-D1542 WeakPolarHBondContact CB-OD2 3.29Å; Q1453-K1545 HydrophobicContact CB-CD 4.3Å; Q1453-K1545 HydrophobicContact CB-CG 3.7Å |
| 1454 | L | 71.3 | Confident | 65 | Low | 28 Ų | 28 | 34.1 Ų | 34.1 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 126.8 | 175.7 | -166.7 | 70.9 | 0 | 0 | 0 | 111 | Y1456 N1510 R1512 A1539 D1542 | L1454-Y1456 HydrophobicContact CD2-CE1 4.18Å; L1454-N1510 HydrophobicContact CD1-CB 4.32Å; L1454-R1512 HydrophobicContact CD1-CG 4.16Å; L1454-A1539 HydrophobicContact CB-CB 3.95Å; L1454-A1539 HydrophobicContact CD2-CB 4.2Å; L1454-A1539 HydrophobicContact CG-CB 4.31Å; L1454-A1539 VanDerWaalsContact O-CB 3.3Å; L1454-A1539 WeakPolarHBondContact O-CB 3.47Å; L1454-A1539 PolarHBondContact O-N 2.71Å; L1454-D1542 HydrophobicContact CB-CB 4.37Å; L1454-D1542 PolarHBondContact N-OD2 2.77Å |
| 1455 | V | 72.4 | Confident | 65.7 | Low | 15 Ų | 15 | 33.7 Ų | 33.7 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.1 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | F1451 Q1453 V1457 N1510 T1511 C1537 K1538 | F1451-V1455 HydrophobicContact CB-CG2 3.7Å; F1451-V1455 HydrophobicContact CD1-CG2 3.87Å; F1451-V1455 HydrophobicContact CD2-CB 4.05Å; F1451-V1455 HydrophobicContact CD2-CG2 3.99Å; F1451-V1455 HydrophobicContact CE2-CB 4.4Å; F1451-V1455 HydrophobicContact CG-CB 4.16Å; F1451-V1455 HydrophobicContact CG-CG2 3.57Å; Q1453-V1455 PolarHBondContact O-N 3.12Å; V1455-V1457 HydrophobicContact CG1-CG2 4.16Å; V1455-N1510 WeakPolarHBondContact O-CA 3.35Å; V1455-T1511 PolarHBondContact N-O 2.78Å; V1455-T1511 PolarHBondContact O-N 3.28Å; V1455-C1537 WeakPolarHBondContact CG1-O 3.35Å; V1455-K1538 HydrophobicContact CG2-CG 4.46Å |
| 1456 | Y | 69.4 | Low | 66.4 | Low | 18 Ų | 18 | 29.8 Ų | 29.8 | 7% | 0.071 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 101.7 | 175.9 | -61.8 | -48.1 | 0 | 0 | 0 | 109 | Q1402 L1454 L1509 N1510 G1536 C1537 A1539 | Q1402-Y1456 PolarHBondContact OE1-OH 3.27Å; L1454-Y1456 HydrophobicContact CD2-CE1 4.18Å; Y1456-L1509 CarbonylContact C-O 3.43Å; Y1456-L1509 WeakPolarHBondContact CA-O 3.36Å; Y1456-N1510 HydrophobicContact CD1-CB 4.33Å; Y1456-N1510 WeakPolarHBondContact CD1-OD1 3.21Å; Y1456-N1510 HydrophobicContact CE1-CB 4.35Å; Y1456-N1510 VanDerWaalsContact CE1-CG 3.47Å; Y1456-N1510 WeakPolarHBondContact CE1-OD1 2.89Å; Y1456-G1536 CarbonylContact O-C 3.6Å; Y1456-G1536 VanDerWaalsContact O-C 3.29Å; Y1456-G1536 WeakPolarHBondContact O-CA 3.35Å; Y1456-C1537 VanDerWaalsContact CD2-SG 3.58Å; Y1456-C1537 PolarHBondContact N-O 3.19Å; Y1456-C1537 PolarHBondContact O-N 3.25Å; Y1456-A1539 HydrophobicContact CD2-CB 4.32Å; Y1456-A1539 HydrophobicContact CE1-CB 4.49Å; Y1456-A1539 VanDerWaalsContact CE2-CA 3.46Å; Y1456-A1539 HydrophobicContact CE2-CB 3.64Å |
| 1457 | V | 72.1 | Confident | 66.7 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.8 | -176.1 | 172 | 0 | 0 | 0 | 0 | 110.2 | V1455 I1460 F1505 L1508 L1509 T1511 L1514 I1534 Y1535 | V1455-V1457 HydrophobicContact CG1-CG2 4.16Å; V1457-I1460 HydrophobicContact CG1-CD1 4.12Å; V1457-I1460 HydrophobicContact CG1-CG1 3.72Å; V1457-F1505 HydrophobicContact CG1-CD2 4.28Å; V1457-F1505 HydrophobicContact CG1-CE2 4.14Å; V1457-L1508 CarbonylContact O-C 3.04Å; V1457-L1508 WeakPolarHBondContact O-CA 3.37Å; V1457-L1509 HydrophobicContact CB-CB 4.12Å; V1457-L1509 HydrophobicContact CB-CD2 4.45Å; V1457-L1509 PolarHBondContact N-O 2.82Å; V1457-L1509 PolarHBondContact O-N 2.73Å; V1457-T1511 HydrophobicContact CB-CG2 4.38Å; V1457-T1511 HydrophobicContact CG2-CG2 3.54Å; V1457-L1514 HydrophobicContact CG2-CD1 4.17Å; V1457-I1534 HydrophobicContact CB-CG2 4.33Å; V1457-I1534 HydrophobicContact CG1-CG2 3.71Å; V1457-I1534 HydrophobicContact CG2-CG2 3.67Å; V1457-Y1535 CarbonylContact C-O 3.47Å; V1457-Y1535 WeakPolarHBondContact CA-O 3.42Å; V1457-Y1535 WeakPolarHBondContact CG1-O 3.22Å |
| 1458 | S | 66.1 | Low | 66.8 | Low | 39 Ų | 39 | 36.9 Ų | 36.9 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -31 | 177.7 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | F1505 L1508 Y1535 | S1458-F1505 PolarHBondContact O-N 2.75Å; S1458-L1508 VanDerWaalsContact CB-CD2 3.4Å; S1458-Y1535 PolarHBondContact N-O 2.75Å; S1458-Y1535 PolarHBondContact OG-O 3.26Å |
| 1459 | Q | 66.7 | Low | 66.8 | Low | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 142.6 | -176.8 | 167.6 | -167.9 | 4 | 0 | 0 | 111.3 | M1503 Y1504 Y1535 | Q1459-M1503 CarbonylContact C-O 3.53Å; Q1459-M1503 WeakPolarHBondContact CA-O 3.16Å; Q1459-M1503 WeakPolarHBondContact CG-O 3.44Å; Q1459-Y1504 HydrophobicContact CB-CD1 4.17Å; Q1459-Y1504 HydrophobicContact CB-CE1 4.48Å; Q1459-Y1504 VanDerWaalsContact CD-CE1 3.42Å; Q1459-Y1504 HydrophobicContact CG-CD1 4.1Å; Q1459-Y1504 HydrophobicContact CG-CE1 4.05Å; Q1459-Y1535 HydrophobicContact CB-CD2 3.93Å; Q1459-Y1535 HydrophobicContact CB-CG 4.28Å; Q1459-Y1535 HydrophobicContact CG-CD2 3.68Å; Q1459-Y1535 HydrophobicContact CG-CE2 4.26Å; Q1459-Y1535 HydrophobicContact CG-CG 4.45Å; Q1459-Y1535 PolarHBondContact N-O 2.78Å; Q1459-Y1535 VanDerWaalsContact N-O 3.14Å; Q1459-Y1535 PolarHBondContact O-N 2.84Å |
| 1460 | I | 72.4 | Confident | 66.7 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.1 | 171.4 | -66.4 | 172.3 | 0 | 0 | 0 | 107.9 | V1457 I1476 M1503 F1505 L1514 F1516 V1532 I1534 | V1457-I1460 HydrophobicContact CG1-CD1 4.12Å; V1457-I1460 HydrophobicContact CG1-CG1 3.72Å; I1460-I1476 HydrophobicContact CD1-CG2 4.47Å; I1460-I1476 HydrophobicContact CG2-CD1 4.32Å; I1460-M1503 PolarHBondContact N-O 3Å; I1460-M1503 PolarHBondContact O-N 3.37Å; I1460-F1505 HydrophobicContact CB-CE2 4.42Å; I1460-F1505 HydrophobicContact CD1-CE2 3.73Å; I1460-F1505 HydrophobicContact CD1-CZ 4Å; I1460-F1505 HydrophobicContact CG1-CE2 3.88Å; I1460-L1514 HydrophobicContact CD1-CD1 3.99Å; I1460-L1514 HydrophobicContact CD1-CD2 4.28Å; I1460-F1516 HydrophobicContact CD1-CE1 4.48Å; I1460-F1516 HydrophobicContact CD1-CZ 4.37Å; I1460-F1516 HydrophobicContact CG2-CE1 3.8Å; I1460-F1516 HydrophobicContact CG2-CZ 4.14Å; I1460-V1532 HydrophobicContact CG2-CG1 3.6Å; I1460-I1534 HydrophobicContact CG1-CG1 4.41Å |
| 1461 | R | 63.6 | Low | 66.7 | Low | 103 Ų | 103 | 38.3 Ų | 38.3 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 102.4 | -178.2 | 173 | 168.4 | -167.1 | -162 | 1.7 | 110.5 | I1463 N1502 V1532 A1533 Y1535 | R1461-I1463 HydrophobicContact CG-CD1 4.49Å; R1461-I1463 HydrophobicContact CG-CG1 4Å; R1461-N1502 WeakPolarHBondContact CD-OD1 3.32Å; R1461-N1502 WeakPolarHBondContact CG-OD1 3.5Å; R1461-N1502 PolarHBondContact NE-OD1 3.15Å; R1461-V1532 CarbonylContact O-C 3.48Å; R1461-V1532 WeakPolarHBondContact O-CA 3.49Å; R1461-A1533 HydrophobicContact CB-CB 4.2Å; R1461-A1533 PolarHBondContact N-O 3.03Å; R1461-A1533 PolarHBondContact O-N 2.77Å; R1461-Y1535 HydrophobicContact CB-CE2 4.09Å |
| 1462 | P | 65.8 | Low | 66.7 | Low | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137 | 168.2 | -7.5 | 23.4 | 0 | 0 | 0 | 110 | L1474 M1491 F1500 S1531 | P1462-L1474 HydrophobicContact CB-CD2 4.36Å; P1462-L1474 HydrophobicContact CG-CD2 4.25Å; P1462-M1491 HydrophobicContact CG-CE 4.39Å; P1462-M1491 HydrophobicContact CG-SD 3.68Å; P1462-F1500 HydrophobicContact CB-CB 4.15Å; P1462-F1500 HydrophobicContact CB-CD2 4.25Å; P1462-F1500 HydrophobicContact CB-CG 4.34Å; P1462-F1500 HydrophobicContact CG-CB 3.87Å; P1462-F1500 HydrophobicContact CG-CG 4.21Å; P1462-S1531 CarbonylContact C-O 3.53Å |
| 1463 | I | 62.2 | Low | 66.8 | Low | 56 Ų | 56 | 42.3 Ų | 42.3 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.9 | 177.4 | -55.5 | 170.8 | 0 | 0 | 0 | 107.2 | R1461 F1530 S1531 A1533 | R1461-I1463 HydrophobicContact CG-CD1 4.49Å; R1461-I1463 HydrophobicContact CG-CG1 4Å; I1463-F1530 CarbonylContact O-C 3.58Å; I1463-F1530 WeakPolarHBondContact O-CA 3.18Å; I1463-S1531 WeakPolarHBondContact CB-OG 3.27Å; I1463-S1531 PolarHBondContact N-O 3.3Å; I1463-S1531 PolarHBondContact O-N 3.24Å; I1463-S1531 PolarHBondContact O-OG 3.38Å; I1463-A1533 HydrophobicContact CD1-CB 4.47Å |
| 1464 | S | 62.9 | Low | 66.7 | Low | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 128.2 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | D1466 | S1464-D1466 PolarHBondContact OG-O 2.67Å |
| 1465 | L | 58.3 | Low | 66.7 | Low | 95 Ų | 95 | 42 Ų | 42 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | trans | -96.6 | -20.5 | -179.6 | -66.4 | 172.6 | 0 | 0 | 0 | 112.4 | N1529 | L1465-N1529 HydrophobicContact CB-CB 4.09Å; L1465-N1529 PolarHBondContact N-O 2.78Å | ||
| 1466 | D | 61.1 | Low | 66.7 | Low | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | trans | -103.9 | 126.6 | -179.9 | -156.3 | -33.9 | 0 | 0 | 0 | 111.2 | S1464 N1468 N1529 | S1464-D1466 PolarHBondContact OG-O 2.67Å; D1466-N1468 VanDerWaalsContact C-N 3.33Å; D1466-N1468 WeakPolarHBondContact OD1-CB 3.26Å; D1466-N1468 PolarHBondContact OD1-N 3.28Å; D1466-N1529 HydrophobicContact CB-CB 4.28Å; D1466-N1529 PolarHBondContact N-O 2.9Å | ||
| 1467 | S | 62.5 | Low | 66.9 | Low | 95 Ų | 95 | 40.9 Ų | 40.9 | 66% | 0.664 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76.1 | -22.3 | 175.1 | 55.3 | 0 | 0 | 0 | 0 | 113 | ||
| 1468 | N | 65.2 | Low | 67.2 | Low | 117 Ų | 117 | 41.3 Ų | 41.3 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -94.8 | -22.6 | -168.7 | -63 | -11.7 | 0 | 0 | 0 | 113.4 | D1466 | D1466-N1468 VanDerWaalsContact C-N 3.33Å; D1466-N1468 WeakPolarHBondContact OD1-CB 3.26Å; D1466-N1468 PolarHBondContact OD1-N 3.28Å |
| 1469 | N | 65.2 | Low | 67.4 | Low | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -145.2 | 99.3 | 178.5 | -172.8 | 20.8 | 0 | 0 | 0 | 112.2 | E1522 D1523 Q1526 N1527 | N1469-E1522 PolarHBondContact OD1-N 2.83Å; N1469-D1523 VanDerWaalsContact CG-O 3.31Å; N1469-D1523 PolarHBondContact ND2-O 2.97Å; N1469-D1523 PolarHBondContact OD1-N 3.11Å; N1469-D1523 PolarHBondContact OD1-O 2.86Å; N1469-Q1526 HydrophobicContact CB-CB 4.17Å; N1469-Q1526 PolarHBondContact ND2-O 2.79Å; N1469-N1527 PolarHBondContact ND2-O 2.77Å |
| 1470 | K | 67.2 | Low | 67.4 | Low | 46 Ų | 46 | 40 Ų | 40 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | trans | -96.5 | 148.4 | -176.1 | -59.5 | -179.1 | 171.5 | -166.1 | 0 | 112.3 | P1498 A1521 E1522 | K1470-P1498 PolarHBondContact NZ-O 3.14Å; K1470-A1521 CarbonylContact O-C 3.59Å; K1470-A1521 WeakPolarHBondContact O-CA 3.19Å; K1470-E1522 HydrophobicContact CB-CG 4.47Å; K1470-E1522 WeakPolarHBondContact CB-OE2 3.07Å; K1470-E1522 PolarHBondContact N-OE2 3.22Å; K1470-E1522 PolarHBondContact O-N 2.74Å | ||
| 1471 | I | 67.3 | Low | 67 | Low | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.8 | 175.1 | -61.5 | 160.8 | 0 | 0 | 0 | 109.7 | L1474 F1500 T1518 A1528 F1530 | I1471-L1474 HydrophobicContact CG2-CB 4.35Å; I1471-F1500 HydrophobicContact CB-CE2 3.92Å; I1471-F1500 HydrophobicContact CB-CZ 4.25Å; I1471-F1500 HydrophobicContact CG2-CE2 4.03Å; I1471-F1500 HydrophobicContact CG2-CZ 3.89Å; I1471-F1500 WeakPolarHBondContact O-CE2 3.14Å; I1471-F1500 WeakPolarHBondContact O-CZ 3.45Å; I1471-T1518 HydrophobicContact CB-CG2 4.49Å; I1471-T1518 HydrophobicContact CD1-CG2 3.46Å; I1471-T1518 VanDerWaalsContact CD1-CG2 3.46Å; I1471-T1518 HydrophobicContact CG1-CG2 3.73Å; I1471-T1518 HydrophobicContact CG2-CG2 3.9Å; I1471-A1528 HydrophobicContact CG1-CB 3.96Å; I1471-F1530 HydrophobicContact CD1-CB 3.5Å; I1471-F1530 HydrophobicContact CD1-CD1 3.2Å; I1471-F1530 HydrophobicContact CD1-CD2 3.86Å; I1471-F1530 HydrophobicContact CD1-CE1 3.74Å; I1471-F1530 HydrophobicContact CD1-CE2 4.32Å; I1471-F1530 HydrophobicContact CD1-CG 3.24Å; I1471-F1530 HydrophobicContact CD1-CZ 4.26Å |
| 1472 | K | 71.4 | Confident | 67 | Low | 83 Ų | 83 | 38.3 Ų | 38.3 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -41.1 | 174.1 | -78 | 178.9 | 179.6 | 153.9 | 0 | 112.5 | N1492 K1493 D1520 A1521 E1522 | K1472-N1492 CarbonylContact O-C 3.57Å; K1472-N1492 WeakPolarHBondContact O-CA 3.38Å; K1472-K1493 PolarHBondContact O-N 3.14Å; K1472-D1520 HydrophobicContact CB-CB 4.22Å; K1472-D1520 WeakPolarHBondContact CD-OD2 3.48Å; K1472-D1520 PolarHBondContact N-O 2.8Å; K1472-A1521 PolarHBondContact NZ-O 3.49Å; K1472-E1522 HydrophobicContact CG-CG 4.38Å |
| 1473 | I | 68.7 | Low | 66.7 | Low | 45 Ų | 45 | 40.7 Ų | 40.7 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.9 | -176 | -56.3 | 179.9 | 0 | 0 | 0 | 110.3 | T1490 M1491 N1492 V1519 D1520 | I1473-T1490 HydrophobicContact CG2-CG2 3.51Å; I1473-M1491 CarbonylContact C-O 3.52Å; I1473-M1491 WeakPolarHBondContact CA-O 3.25Å; I1473-N1492 WeakPolarHBondContact CG1-OD1 3.35Å; I1473-N1492 WeakPolarHBondContact CG2-OD1 3.38Å; I1473-V1519 HydrophobicContact CB-CB 4Å; I1473-V1519 HydrophobicContact CG2-CB 3.73Å; I1473-V1519 HydrophobicContact CG2-CG1 4.33Å; I1473-V1519 HydrophobicContact CG2-CG2 4.03Å; I1473-V1519 PolarHBondContact O-N 2.81Å; I1473-D1520 HydrophobicContact CB-CB 4.12Å; I1473-D1520 HydrophobicContact CD1-CB 4.17Å; I1473-D1520 HydrophobicContact CG1-CB 4.09Å; I1473-D1520 PolarHBondContact N-O 2.8Å; I1473-D1520 VanDerWaalsContact N-O 3.11Å; I1473-D1520 PolarHBondContact O-N 2.81Å |
| 1474 | L | 69.9 | Low | 66.5 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.5 | 178.5 | -171.8 | 72.1 | 0 | 0 | 0 | 110.7 | P1462 I1471 M1491 F1500 F1516 T1518 F1530 | P1462-L1474 HydrophobicContact CB-CD2 4.36Å; P1462-L1474 HydrophobicContact CG-CD2 4.25Å; I1471-L1474 HydrophobicContact CG2-CB 4.35Å; L1474-M1491 HydrophobicContact CB-CB 4.33Å; L1474-M1491 PolarHBondContact N-O 2.91Å; L1474-M1491 PolarHBondContact O-N 2.63Å; L1474-F1500 HydrophobicContact CB-CZ 4.39Å; L1474-F1516 HydrophobicContact CD1-CB 4.28Å; L1474-F1516 HydrophobicContact CD2-CD1 4.14Å; L1474-T1518 HydrophobicContact CD1-CG2 3.89Å; L1474-F1530 HydrophobicContact CD1-CE2 3.92Å; L1474-F1530 HydrophobicContact CD1-CZ 3.89Å; L1474-F1530 HydrophobicContact CD2-CE2 4.3Å |
| 1475 | N | 69.8 | Low | 66.5 | Low | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.6 | 172.3 | -87.7 | -8.8 | 0 | 0 | 0 | 110.4 | T1490 F1516 I1517 V1519 | N1475-T1490 VanDerWaalsContact OD1-CB 3.26Å; N1475-T1490 WeakPolarHBondContact OD1-CB 2.91Å; N1475-T1490 WeakPolarHBondContact OD1-CG2 3.4Å; N1475-T1490 PolarHBondContact OD1-OG1 3.01Å; N1475-F1516 CarbonylContact O-C 3.48Å; N1475-F1516 WeakPolarHBondContact O-CA 3.42Å; N1475-I1517 HydrophobicContact CB-CB 4.17Å; N1475-I1517 PolarHBondContact N-O 3.14Å; N1475-I1517 PolarHBondContact O-N 2.59Å; N1475-V1519 HydrophobicContact CB-CG2 3.93Å; N1475-V1519 WeakPolarHBondContact ND2-CG2 3.22Å |
| 1476 | I | 73.6 | Confident | 66.5 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.3 | 176.6 | -45.9 | 178.3 | 0 | 0 | 0 | 107.8 | I1460 I1488 L1489 M1491 L1514 H1515 F1516 | I1460-I1476 HydrophobicContact CD1-CG2 4.47Å; I1460-I1476 HydrophobicContact CG2-CD1 4.32Å; I1476-I1488 HydrophobicContact CB-CD1 4.27Å; I1476-I1488 HydrophobicContact CB-CG1 4.07Å; I1476-I1488 HydrophobicContact CG2-CD1 3.72Å; I1476-I1488 HydrophobicContact CG2-CG1 3.98Å; I1476-I1488 WeakPolarHBondContact O-CG1 3.13Å; I1476-I1488 PolarHBondContact O-N 3.07Å; I1476-L1489 PolarHBondContact N-O 2.98Å; I1476-L1489 PolarHBondContact O-N 3.33Å; I1476-M1491 HydrophobicContact CD1-CE 4.11Å; I1476-M1491 HydrophobicContact CD1-CG 4.22Å; I1476-M1491 HydrophobicContact CD1-SD 3.84Å; I1476-L1514 HydrophobicContact CG2-CD2 4.31Å; I1476-H1515 CarbonylContact C-O 3.53Å; I1476-H1515 WeakPolarHBondContact CA-O 2.95Å; I1476-F1516 HydrophobicContact CB-CD1 4.4Å; I1476-F1516 HydrophobicContact CB-CE1 4.42Å; I1476-F1516 HydrophobicContact CD1-CD1 4.24Å; I1476-F1516 HydrophobicContact CD1-CE1 3.92Å; I1476-F1516 HydrophobicContact CG1-CD1 3.83Å; I1476-F1516 HydrophobicContact CG1-CE1 3.95Å; I1476-F1516 HydrophobicContact CG2-CD1 4Å; I1476-F1516 HydrophobicContact CG2-CE1 3.68Å; I1476-F1516 HydrophobicContact CG2-CZ 4.23Å |
| 1477 | S | 73.4 | Confident | 66.6 | Low | 11 Ų | 11 | 44.9 Ų | 44.9 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.2 | 173.6 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | K1486 H1487 L1514 H1515 | S1477-K1486 CarbonylContact C-O 3.58Å; S1477-K1486 WeakPolarHBondContact CA-O 3.06Å; S1477-K1486 WeakPolarHBondContact CB-O 3.1Å; S1477-H1487 WeakPolarHBondContact OG-CA 3Å; S1477-L1514 CarbonylContact O-C 3.6Å; S1477-L1514 WeakPolarHBondContact O-CA 3.37Å; S1477-H1515 PolarHBondContact N-O 2.79Å; S1477-H1515 PolarHBondContact O-N 2.96Å |
| 1478 | T | 78.2 | Confident | 66.7 | Low | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.1 | -178.9 | -163 | 0 | 0 | 0 | 0 | 111 | F1485 K1486 I1488 T1511 G1513 | T1478-F1485 CarbonylContact O-C 3.55Å; T1478-F1485 WeakPolarHBondContact O-CA 2.93Å; T1478-K1486 PolarHBondContact N-O 2.05Å; T1478-K1486 PolarHBondContact O-N 2.82Å; T1478-I1488 HydrophobicContact CG2-CG2 3.35Å; T1478-T1511 WeakPolarHBondContact OG1-CB 2.96Å; T1478-T1511 PolarHBondContact OG1-OG1 3.27Å; T1478-G1513 CarbonylContact C-O 3.59Å; T1478-G1513 WeakPolarHBondContact CA-O 3.19Å; T1478-G1513 PolarHBondContact OG1-O 3.37Å |
| 1479 | T | 69.9 | Low | 66.8 | Low | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.2 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | L1450 D1481 G1482 I1483 L1484 F1485 T1511 R1512 G1513 | L1450-T1479 HydrophobicContact CD2-CG2 3.8Å; T1479-D1481 PolarHBondContact OG1-N 3.35Å; T1479-D1481 PolarHBondContact OG1-OD1 3.42Å; T1479-G1482 PolarHBondContact OG1-N 2.86Å; T1479-I1483 PolarHBondContact OG1-N 3.2Å; T1479-L1484 WeakPolarHBondContact CB-O 3.25Å; T1479-L1484 PolarHBondContact OG1-O 3.49Å; T1479-F1485 HydrophobicContact CG2-CD1 3.93Å; T1479-F1485 HydrophobicContact CG2-CD2 4.37Å; T1479-F1485 HydrophobicContact CG2-CE1 3.43Å; T1479-F1485 VanDerWaalsContact CG2-CE1 3.43Å; T1479-F1485 HydrophobicContact CG2-CE2 3.87Å; T1479-F1485 HydrophobicContact CG2-CG 4.41Å; T1479-F1485 HydrophobicContact CG2-CZ 3.39Å; T1479-T1511 PolarHBondContact O-OG1 2.78Å; T1479-R1512 PolarHBondContact O-N 3.05Å; T1479-G1513 PolarHBondContact N-O 2.74Å; T1479-G1513 PolarHBondContact O-N 2.8Å |
| 1480 | T | 67 | Low | 66.9 | Low | 35 Ų | 35 | 41.8 Ų | 41.8 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -109.9 | -2.8 | 171.1 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | R1512 | T1480-R1512 WeakPolarHBondContact O-CD 3.34Å; T1480-R1512 PolarHBondContact O-NE 3.44Å |
| 1481 | D | 65 | Low | 66.9 | Low | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -120.9 | -4.8 | -179.7 | 63.6 | 7.6 | 0 | 0 | 0 | 113.3 | T1479 I1483 L1484 K1551 | T1479-D1481 PolarHBondContact OG1-N 3.35Å; T1479-D1481 PolarHBondContact OG1-OD1 3.42Å; D1481-I1483 VanDerWaalsContact C-N 3.26Å; D1481-I1483 PolarHBondContact O-N 3.32Å; D1481-I1483 PolarHBondContact OD1-N 3.31Å; D1481-L1484 PolarHBondContact OD1-N 3.22Å; D1481-K1551 PolarHBondContact O-NZ 2.7Å |
| 1482 | G | 62.5 | Low | 66.8 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 78 | 3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1479 | T1479-G1482 PolarHBondContact OG1-N 2.86Š|
| 1483 | I | 59.3 | Low | 66.2 | Low | 61 Ų | 61 | 43.3 Ų | 43.3 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -120.8 | -52.6 | -174.8 | -59 | 172.9 | 0 | 0 | 0 | 110.5 | T1479 D1481 K1551 | T1479-I1483 PolarHBondContact OG1-N 3.2Å; D1481-I1483 VanDerWaalsContact C-N 3.26Å; D1481-I1483 PolarHBondContact O-N 3.32Å; D1481-I1483 PolarHBondContact OD1-N 3.31Å; I1483-K1551 HydrophobicContact CD1-CD 3.84Å; I1483-K1551 VanDerWaalsContact CD1-NZ 3.3Å; I1483-K1551 HydrophobicContact CG1-CD 3.41Å; I1483-K1551 VanDerWaalsContact CG1-CD 3.41Å |
| 1484 | L | 58.1 | Low | 65.2 | Low | 92 Ų | 92 | 44.1 Ų | 44.1 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | trans | -103.8 | 105 | -168.4 | -136.1 | 129.1 | 0 | 0 | 0 | 109.8 | T1479 D1481 | T1479-L1484 WeakPolarHBondContact CB-O 3.25Å; T1479-L1484 PolarHBondContact OG1-O 3.49Å; D1481-L1484 PolarHBondContact OD1-N 3.22Å | ||
| 1485 | F | 64 | Low | 64 | Low | 41 Ų | 41 | 52.7 Ų | 52.7 | 18% | 0.18 | 28% | 0.276 | C | S | . | . | trans | -82.3 | 126.7 | 176.5 | -73.4 | -91.8 | 0 | 0 | 0 | 110.3 | T1448 L1450 T1478 T1479 G1513 H1515 F1553 | T1448-F1485 HydrophobicContact CG2-CE1 3.97Å; T1448-F1485 HydrophobicContact CG2-CE2 3.81Å; T1448-F1485 HydrophobicContact CG2-CZ 3.29Å; L1450-F1485 HydrophobicContact CD2-CE2 4.21Å; L1450-F1485 HydrophobicContact CD2-CZ 3.66Å; L1450-F1485 HydrophobicContact CG-CZ 4.39Å; T1478-F1485 CarbonylContact O-C 3.55Å; T1478-F1485 WeakPolarHBondContact O-CA 2.93Å; T1479-F1485 HydrophobicContact CG2-CD1 3.93Å; T1479-F1485 HydrophobicContact CG2-CD2 4.37Å; T1479-F1485 HydrophobicContact CG2-CE1 3.43Å; T1479-F1485 VanDerWaalsContact CG2-CE1 3.43Å; T1479-F1485 HydrophobicContact CG2-CE2 3.87Å; T1479-F1485 HydrophobicContact CG2-CG 4.41Å; T1479-F1485 HydrophobicContact CG2-CZ 3.39Å; F1485-G1513 WeakPolarHBondContact CE1-O 3.41Å; F1485-H1515 HydrophobicContact CB-CB 4.32Å; F1485-H1515 HydrophobicContact CD1-CB 3.24Å; F1485-H1515 HydrophobicContact CE1-CB 3.53Å; F1485-H1515 HydrophobicContact CG-CB 3.79Å; F1485-H1515 AromaticContact CG-ND1 3.99Å; F1485-H1515 HydrophobicContact CZ-CB 4.33Å; F1485-F1553 HydrophobicContact CD2-CD1 4.45Å; F1485-F1553 AromaticContact CE2-CD1 3.71Å; F1485-F1553 HydrophobicContact CE2-CD1 3.71Å; F1485-F1553 AromaticContact CE2-CE1 3.58Å; F1485-F1553 HydrophobicContact CE2-CE1 3.58Å; F1485-F1553 HydrophobicContact CZ-CE1 4.07Å | ||
| 1486 | K | 56.4 | Low | 63 | Low | 90 Ų | 90 | 59.5 Ų | 59.5 | 39% | 0.391 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.2 | 174.6 | -68 | -179.9 | -178.7 | 170.9 | 0 | 108.5 | S1477 T1478 I1488 | S1477-K1486 CarbonylContact C-O 3.58Å; S1477-K1486 WeakPolarHBondContact CA-O 3.06Å; S1477-K1486 WeakPolarHBondContact CB-O 3.1Å; T1478-K1486 PolarHBondContact N-O 2.05Å; T1478-K1486 PolarHBondContact O-N 2.82Å; K1486-I1488 PolarHBondContact O-N 3.45Å |
| 1487 | H | 65.1 | Low | 61.7 | Low | 102 Ų | 102 | 63.8 Ų | 63.8 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 130.9 | 171.5 | 177.8 | -89.8 | 0 | 0 | 0 | 110 | S1477 L1489 T1490 | S1477-H1487 WeakPolarHBondContact OG-CA 3Å; H1487-L1489 VanDerWaalsContact CE1-C 3.49Å; H1487-L1489 PolarHBondContact NE2-O 3.1Å; H1487-L1489 VanDerWaalsContact NE2-O 3.14Å; H1487-T1490 PolarHBondContact NE2-OG1 2.77Å |
| 1488 | I | 63.1 | Low | 60.7 | Low | 52 Ų | 52 | 67.2 Ų | 67.2 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -34.9 | 175.7 | 46.3 | 166.6 | 0 | 0 | 0 | 111.8 | I1476 T1478 K1486 L1509 L1514 | I1476-I1488 HydrophobicContact CB-CD1 4.27Å; I1476-I1488 HydrophobicContact CB-CG1 4.07Å; I1476-I1488 HydrophobicContact CG2-CD1 3.72Å; I1476-I1488 HydrophobicContact CG2-CG1 3.98Å; I1476-I1488 WeakPolarHBondContact O-CG1 3.13Å; I1476-I1488 PolarHBondContact O-N 3.07Å; T1478-I1488 HydrophobicContact CG2-CG2 3.35Å; K1486-I1488 PolarHBondContact O-N 3.45Å; I1488-L1509 HydrophobicContact CD1-CD2 3.77Å; I1488-L1514 HydrophobicContact CD1-CD2 4.25Å |
| 1489 | L | 67.4 | Low | 59.6 | Low | 35 Ų | 35 | 71.9 Ų | 71.9 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 151.9 | -173.8 | -172.2 | 78.1 | 0 | 0 | 0 | 112.1 | I1476 H1487 M1491 M1503 | I1476-L1489 PolarHBondContact N-O 2.98Å; I1476-L1489 PolarHBondContact O-N 3.33Å; H1487-L1489 VanDerWaalsContact CE1-C 3.49Å; H1487-L1489 PolarHBondContact NE2-O 3.1Å; H1487-L1489 VanDerWaalsContact NE2-O 3.14Å; L1489-M1491 HydrophobicContact CD2-CE 4.32Å; L1489-M1491 HydrophobicContact CD2-CG 3.8Å; L1489-M1503 HydrophobicContact CD1-CE 4.11Å; L1489-M1503 HydrophobicContact CD2-CE 3.35Å; L1489-M1503 HydrophobicContact CD2-SD 3.27Å; L1489-M1503 WeakPolarHBondContact CD2-SD 3.47Å; L1489-M1503 HydrophobicContact CG-CE 4.24Å |
| 1490 | T | 67.8 | Low | 58.9 | Low | 59 Ų | 59 | 73.1 Ų | 73.1 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.1 | 162.9 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | I1473 N1475 H1487 N1492 | I1473-T1490 HydrophobicContact CG2-CG2 3.51Å; N1475-T1490 VanDerWaalsContact OD1-CB 3.26Å; N1475-T1490 WeakPolarHBondContact OD1-CB 2.91Å; N1475-T1490 WeakPolarHBondContact OD1-CG2 3.4Å; N1475-T1490 PolarHBondContact OD1-OG1 3.01Å; H1487-T1490 PolarHBondContact NE2-OG1 2.77Å; T1490-N1492 WeakPolarHBondContact CG2-OD1 3.42Å |
| 1491 | M | 66.4 | Low | 58.5 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.8 | 171.1 | -70 | -180 | 154.5 | 0 | 0 | 109.5 | P1462 I1473 L1474 I1476 L1489 F1500 M1503 | P1462-M1491 HydrophobicContact CG-CE 4.39Å; P1462-M1491 HydrophobicContact CG-SD 3.68Å; I1473-M1491 CarbonylContact C-O 3.52Å; I1473-M1491 WeakPolarHBondContact CA-O 3.25Å; L1474-M1491 HydrophobicContact CB-CB 4.33Å; L1474-M1491 PolarHBondContact N-O 2.91Å; L1474-M1491 PolarHBondContact O-N 2.63Å; I1476-M1491 HydrophobicContact CD1-CE 4.11Å; I1476-M1491 HydrophobicContact CD1-CG 4.22Å; I1476-M1491 HydrophobicContact CD1-SD 3.84Å; L1489-M1491 HydrophobicContact CD2-CE 4.32Å; L1489-M1491 HydrophobicContact CD2-CG 3.8Å; M1491-F1500 HydrophobicContact CB-CD1 3.82Å; M1491-F1500 HydrophobicContact CB-CE1 3.79Å; M1491-F1500 HydrophobicContact SD-CD1 4.44Å; M1491-M1503 HydrophobicContact CE-CB 3.32Å; M1491-M1503 HydrophobicContact CE-CG 4.23Å; M1491-M1503 HydrophobicContact CE-SD 4.06Å |
| 1492 | N | 65.1 | Low | 58.2 | Low | 103 Ų | 103 | 77.4 Ų | 77.4 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.2 | 173.4 | -68 | -12.4 | 0 | 0 | 0 | 109.2 | K1472 I1473 T1490 S1494 | K1472-N1492 CarbonylContact O-C 3.57Å; K1472-N1492 WeakPolarHBondContact O-CA 3.38Å; I1473-N1492 WeakPolarHBondContact CG1-OD1 3.35Å; I1473-N1492 WeakPolarHBondContact CG2-OD1 3.38Å; T1490-N1492 WeakPolarHBondContact CG2-OD1 3.42Å; N1492-S1494 PolarHBondContact O-N 3.03Å |
| 1493 | K | 59.7 | Low | 58.2 | Low | 46 Ų | 46 | 79.5 Ų | 79.5 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | trans | -64.4 | 122.5 | 170.1 | -171 | 178.7 | 177.5 | -176.3 | 0 | 108.7 | K1472 F1500 E1522 | K1472-K1493 PolarHBondContact O-N 3.14Å; K1493-F1500 HydrophobicContact CB-CE1 4.41Å; K1493-F1500 HydrophobicContact CB-CZ 4.34Å; K1493-E1522 IonicContact NZ-OE1 3.43Å; K1493-E1522 PolarHBondContact NZ-OE1 3Å | ||
| 1494 | S | 48.2 | Very low | 58.2 | Low | 62 Ų | 62 | 83.4 Ų | 83.4 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | trans | -76.6 | 151.6 | 174.4 | 93.5 | 0 | 0 | 0 | 0 | 109.9 | N1492 E1496 Q1497 | N1492-S1494 PolarHBondContact O-N 3.03Å; S1494-E1496 PolarHBondContact O-N 2.79Å; S1494-E1496 PolarHBondContact OG-N 3.02Å; S1494-Q1497 PolarHBondContact OG-N 2.95Å | ||
| 1495 | I | 44.9 | Very low | 58.1 | Low | 181 Ų | 181 | 81 Ų | 81 | 93% | 0.928 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -22.5 | -178.1 | -61.8 | 172 | 0 | 0 | 0 | 111.5 | ||
| 1496 | E | 48.2 | Very low | 57.4 | Low | 181 Ų | 181 | 86.4 Ų | 86.4 | 85% | 0.846 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -17.6 | -171 | -65.6 | -173.4 | 168.2 | 0 | 0 | 114.7 | S1494 | S1494-E1496 PolarHBondContact O-N 2.79Å; S1494-E1496 PolarHBondContact OG-N 3.02Å |
| 1497 | Q | 46.6 | Very low | 57.3 | Low | 89 Ų | 89 | 87.4 Ų | 87.4 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | trans | -123 | 125.7 | -177.7 | -69.2 | -176.7 | 2.3 | 0 | 0 | 111.2 | S1494 D1499 | S1494-Q1497 PolarHBondContact OG-N 2.95Å; Q1497-D1499 PolarHBondContact O-N 2.85Å; Q1497-D1499 VanDerWaalsContact O-N 3.14Å | ||
| 1498 | P | 51.3 | Low | 57 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -71 | -7.6 | -173.5 | 26 | -32.8 | 0 | 0 | 0 | 114.9 | K1470 | K1470-P1498 PolarHBondContact NZ-O 3.14Š|
| 1499 | D | 55.4 | Low | 57.2 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -127 | 152.2 | -177.7 | -62.3 | -32.2 | 0 | 0 | 0 | 110.9 | Q1497 E1501 | Q1497-D1499 PolarHBondContact O-N 2.85Å; Q1497-D1499 VanDerWaalsContact O-N 3.14Å; D1499-E1501 PolarHBondContact O-N 2.04Å |
| 1500 | F | 55.2 | Low | 57.4 | Low | 29 Ų | 29 | 84.4 Ų | 84.4 | 13% | 0.127 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 131.1 | 171.3 | -79.2 | -83.4 | 0 | 0 | 0 | 110 | P1462 I1471 L1474 M1491 K1493 N1502 | P1462-F1500 HydrophobicContact CB-CB 4.15Å; P1462-F1500 HydrophobicContact CB-CD2 4.25Å; P1462-F1500 HydrophobicContact CB-CG 4.34Å; P1462-F1500 HydrophobicContact CG-CB 3.87Å; P1462-F1500 HydrophobicContact CG-CG 4.21Å; I1471-F1500 HydrophobicContact CB-CE2 3.92Å; I1471-F1500 HydrophobicContact CB-CZ 4.25Å; I1471-F1500 HydrophobicContact CG2-CE2 4.03Å; I1471-F1500 HydrophobicContact CG2-CZ 3.89Å; I1471-F1500 WeakPolarHBondContact O-CE2 3.14Å; I1471-F1500 WeakPolarHBondContact O-CZ 3.45Å; L1474-F1500 HydrophobicContact CB-CZ 4.39Å; M1491-F1500 HydrophobicContact CB-CD1 3.82Å; M1491-F1500 HydrophobicContact CB-CE1 3.79Å; M1491-F1500 HydrophobicContact SD-CD1 4.44Å; K1493-F1500 HydrophobicContact CB-CE1 4.41Å; K1493-F1500 HydrophobicContact CB-CZ 4.34Å; F1500-N1502 PolarHBondContact O-N 3.3Å |
| 1501 | E | 58.3 | Low | 57.7 | Low | 142 Ų | 142 | 81.6 Ų | 81.6 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 134.5 | 170.1 | -84.7 | -170.7 | 152.2 | 0 | 0 | 110.2 | D1499 M1503 | D1499-E1501 PolarHBondContact O-N 2.04Å; E1501-M1503 PolarHBondContact O-N 3.19Å |
| 1502 | N | 59.7 | Low | 58.2 | Low | 51 Ų | 51 | 81.1 Ų | 81.1 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 126.9 | 171.1 | -67.9 | -22.6 | 0 | 0 | 0 | 108.7 | R1461 F1500 Y1504 | R1461-N1502 WeakPolarHBondContact CD-OD1 3.32Å; R1461-N1502 WeakPolarHBondContact CG-OD1 3.5Å; R1461-N1502 PolarHBondContact NE-OD1 3.15Å; F1500-N1502 PolarHBondContact O-N 3.3Å; N1502-Y1504 HydrophobicContact CB-CD2 4.29Å; N1502-Y1504 HydrophobicContact CB-CE2 3.56Å; N1502-Y1504 PolarHBondContact ND2-OH 2.82Å; N1502-Y1504 WeakPolarHBondContact O-CD2 3.39Å; N1502-Y1504 PolarHBondContact O-N 3.06Å |
| 1503 | M | 61.9 | Low | 58.6 | Low | 45 Ų | 45 | 76.2 Ų | 76.2 | 22% | 0.222 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117 | 174.9 | -174 | 179.4 | -156.5 | 0 | 0 | 110.2 | Q1459 I1460 L1489 M1491 E1501 F1505 | Q1459-M1503 CarbonylContact C-O 3.53Å; Q1459-M1503 WeakPolarHBondContact CA-O 3.16Å; Q1459-M1503 WeakPolarHBondContact CG-O 3.44Å; I1460-M1503 PolarHBondContact N-O 3Å; I1460-M1503 PolarHBondContact O-N 3.37Å; L1489-M1503 HydrophobicContact CD1-CE 4.11Å; L1489-M1503 HydrophobicContact CD2-CE 3.35Å; L1489-M1503 HydrophobicContact CD2-SD 3.27Å; L1489-M1503 WeakPolarHBondContact CD2-SD 3.47Å; L1489-M1503 HydrophobicContact CG-CE 4.24Å; M1491-M1503 HydrophobicContact CE-CB 3.32Å; M1491-M1503 HydrophobicContact CE-CG 4.23Å; M1491-M1503 HydrophobicContact CE-SD 4.06Å; E1501-M1503 PolarHBondContact O-N 3.19Å; M1503-F1505 HydrophobicContact CE-CD1 4.2Å; M1503-F1505 HydrophobicContact CE-CE1 3.54Å; M1503-F1505 HydrophobicContact CE-CZ 3.92Å; M1503-F1505 HydrophobicContact CG-CE1 4.39Å; M1503-F1505 HydrophobicContact CG-CE2 4.24Å; M1503-F1505 HydrophobicContact CG-CZ 4.11Å; M1503-F1505 HydrophobicContact SD-CD1 4.49Å; M1503-F1505 HydrophobicContact SD-CE1 3.63Å; M1503-F1505 HydrophobicContact SD-CE2 3.98Å; M1503-F1505 HydrophobicContact SD-CZ 3.32Å; M1503-F1505 WeakPolarHBondContact SD-CZ 3.2Å |
| 1504 | Y | 58.9 | Low | 59.4 | Low | 143 Ų | 143 | 74 Ų | 74 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.3 | 170.3 | -61.8 | -85.3 | 0 | 0 | 0 | 108.7 | Q1459 N1502 | Q1459-Y1504 HydrophobicContact CB-CD1 4.17Å; Q1459-Y1504 HydrophobicContact CB-CE1 4.48Å; Q1459-Y1504 VanDerWaalsContact CD-CE1 3.42Å; Q1459-Y1504 HydrophobicContact CG-CD1 4.1Å; Q1459-Y1504 HydrophobicContact CG-CE1 4.05Å; N1502-Y1504 HydrophobicContact CB-CD2 4.29Å; N1502-Y1504 HydrophobicContact CB-CE2 3.56Å; N1502-Y1504 PolarHBondContact ND2-OH 2.82Å; N1502-Y1504 WeakPolarHBondContact O-CD2 3.39Å; N1502-Y1504 PolarHBondContact O-N 3.06Å |
| 1505 | F | 57.6 | Low | 60.6 | Low | 41 Ų | 41 | 71.8 Ų | 71.8 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.1 | 170.5 | -63 | -82.2 | 0 | 0 | 0 | 107.9 | V1457 S1458 I1460 M1503 H1507 L1509 | V1457-F1505 HydrophobicContact CG1-CD2 4.28Å; V1457-F1505 HydrophobicContact CG1-CE2 4.14Å; S1458-F1505 PolarHBondContact O-N 2.75Å; I1460-F1505 HydrophobicContact CB-CE2 4.42Å; I1460-F1505 HydrophobicContact CD1-CE2 3.73Å; I1460-F1505 HydrophobicContact CD1-CZ 4Å; I1460-F1505 HydrophobicContact CG1-CE2 3.88Å; M1503-F1505 HydrophobicContact CE-CD1 4.2Å; M1503-F1505 HydrophobicContact CE-CE1 3.54Å; M1503-F1505 HydrophobicContact CE-CZ 3.92Å; M1503-F1505 HydrophobicContact CG-CE1 4.39Å; M1503-F1505 HydrophobicContact CG-CE2 4.24Å; M1503-F1505 HydrophobicContact CG-CZ 4.11Å; M1503-F1505 HydrophobicContact SD-CD1 4.49Å; M1503-F1505 HydrophobicContact SD-CE1 3.63Å; M1503-F1505 HydrophobicContact SD-CE2 3.98Å; M1503-F1505 HydrophobicContact SD-CZ 3.32Å; M1503-F1505 WeakPolarHBondContact SD-CZ 3.2Å; F1505-H1507 WeakPolarHBondContact CB-O 3.43Å; F1505-H1507 PolarHBondContact O-N 3.41Å; F1505-L1509 HydrophobicContact CD1-CB 4.4Å; F1505-L1509 HydrophobicContact CD2-CB 4.46Å; F1505-L1509 HydrophobicContact CE1-CD2 4.43Å; F1505-L1509 HydrophobicContact CE2-CD2 4.38Å; F1505-L1509 HydrophobicContact CG-CB 4.37Å; F1505-L1509 HydrophobicContact CZ-CD2 4.05Å |
| 1506 | D | 47.6 | Very low | 61.8 | Low | 155 Ų | 155 | 63.2 Ų | 63.2 | 83% | 0.829 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.3 | -27.8 | 175.2 | -74.7 | -24.2 | 0 | 0 | 0 | 112.1 | ||
| 1507 | H | 54.5 | Low | 62.8 | Low | 110 Ų | 110 | 56.3 Ų | 56.3 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.2 | 172.9 | -58 | -42.8 | 0 | 0 | 0 | 109.6 | I1399 F1505 L1509 | I1399-H1507 HydrophobicContact CG2-CB 3.93Å; I1399-H1507 VanDerWaalsContact CG2-CD2 3.44Å; I1399-H1507 WeakPolarHBondContact CG2-CD2 3.37Å; F1505-H1507 WeakPolarHBondContact CB-O 3.43Å; F1505-H1507 PolarHBondContact O-N 3.41Å; H1507-L1509 PolarHBondContact O-N 3.01Å |
| 1508 | L | 60.3 | Low | 63.7 | Low | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 130.5 | -170 | -54.8 | 170.9 | 0 | 0 | 0 | 112.5 | C1404 V1457 S1458 N1510 | C1404-L1508 WeakPolarHBondContact SG-CD1 3.49Å; V1457-L1508 CarbonylContact O-C 3.04Å; V1457-L1508 WeakPolarHBondContact O-CA 3.37Å; S1458-L1508 VanDerWaalsContact CB-CD2 3.4Å; L1508-N1510 PolarHBondContact O-N 2.91Å; L1508-N1510 PolarHBondContact O-OD1 3.35Å |
| 1509 | L | 66.9 | Low | 64.5 | Low | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 114.5 | 178.1 | 171.1 | 70.9 | 0 | 0 | 0 | 110.9 | Y1456 V1457 I1488 F1505 H1507 T1511 L1514 | Y1456-L1509 CarbonylContact C-O 3.43Å; Y1456-L1509 WeakPolarHBondContact CA-O 3.36Å; V1457-L1509 HydrophobicContact CB-CB 4.12Å; V1457-L1509 HydrophobicContact CB-CD2 4.45Å; V1457-L1509 PolarHBondContact N-O 2.82Å; V1457-L1509 PolarHBondContact O-N 2.73Å; I1488-L1509 HydrophobicContact CD1-CD2 3.77Å; F1505-L1509 HydrophobicContact CD1-CB 4.4Å; F1505-L1509 HydrophobicContact CD2-CB 4.46Å; F1505-L1509 HydrophobicContact CE1-CD2 4.43Å; F1505-L1509 HydrophobicContact CE2-CD2 4.38Å; F1505-L1509 HydrophobicContact CG-CB 4.37Å; F1505-L1509 HydrophobicContact CZ-CD2 4.05Å; H1507-L1509 PolarHBondContact O-N 3.01Å; L1509-T1511 HydrophobicContact CG-CG2 4.5Å; L1509-T1511 PolarHBondContact O-N 3.49Å; L1509-L1514 HydrophobicContact CD2-CD2 3.94Å |
| 1510 | N | 70.2 | Confident | 65 | Low | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.4 | 174.9 | -59.9 | 3.5 | 0 | 0 | 0 | 110.4 | N1355 L1454 V1455 Y1456 L1508 | N1355-N1510 PolarHBondContact ND2-O 3.26Å; L1454-N1510 HydrophobicContact CD1-CB 4.32Å; V1455-N1510 WeakPolarHBondContact O-CA 3.35Å; Y1456-N1510 HydrophobicContact CD1-CB 4.33Å; Y1456-N1510 WeakPolarHBondContact CD1-OD1 3.21Å; Y1456-N1510 HydrophobicContact CE1-CB 4.35Å; Y1456-N1510 VanDerWaalsContact CE1-CG 3.47Å; Y1456-N1510 WeakPolarHBondContact CE1-OD1 2.89Å; L1508-N1510 PolarHBondContact O-N 2.91Å; L1508-N1510 PolarHBondContact O-OD1 3.35Å |
| 1511 | T | 75.7 | Confident | 65.5 | Low | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142.9 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | F1451 V1455 V1457 T1478 T1479 L1509 G1513 L1514 | F1451-T1511 HydrophobicContact CD2-CG2 4.18Å; F1451-T1511 HydrophobicContact CE2-CG2 3.78Å; V1455-T1511 PolarHBondContact N-O 2.78Å; V1455-T1511 PolarHBondContact O-N 3.28Å; V1457-T1511 HydrophobicContact CB-CG2 4.38Å; V1457-T1511 HydrophobicContact CG2-CG2 3.54Å; T1478-T1511 WeakPolarHBondContact OG1-CB 2.96Å; T1478-T1511 PolarHBondContact OG1-OG1 3.27Å; T1479-T1511 PolarHBondContact O-OG1 2.78Å; L1509-T1511 HydrophobicContact CG-CG2 4.5Å; L1509-T1511 PolarHBondContact O-N 3.49Å; T1511-G1513 WeakPolarHBondContact OG1-CA 3.49Å; T1511-G1513 PolarHBondContact OG1-N 2.76Å; T1511-G1513 PolarHBondContact OG1-O 3.49Å; T1511-L1514 HydrophobicContact CG2-CD1 4.46Å; T1511-L1514 HydrophobicContact CG2-CD2 4.38Å; T1511-L1514 HydrophobicContact CG2-CG 4.23Å |
| 1512 | R | 75.9 | Confident | 66.1 | Low | 9 Ų | 9 | 45.8 Ų | 45.8 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -2.7 | 163.3 | -68.9 | -173.8 | -164.8 | -78.3 | -31.4 | 112 | L1450 F1451 L1454 T1479 T1480 D1542 L1544 F1546 | L1450-R1512 CarbonylContact C-O 3.58Å; L1450-R1512 WeakPolarHBondContact CA-O 3.4Å; F1451-R1512 PolarHBondContact N-O 2.86Å; L1454-R1512 HydrophobicContact CD1-CG 4.16Å; T1479-R1512 PolarHBondContact O-N 3.05Å; T1480-R1512 WeakPolarHBondContact O-CD 3.34Å; T1480-R1512 PolarHBondContact O-NE 3.44Å; R1512-D1542 IonicContact CZ-OD1 3.31Å; R1512-D1542 IonicContact CZ-OD2 2.65Å; R1512-D1542 VanDerWaalsContact CZ-OD2 3.25Å; R1512-D1542 IonicContact NH1-OD1 2.83Å; R1512-D1542 PolarHBondContact NH1-OD1 3.32Å; R1512-D1542 IonicContact NH1-OD2 2.89Å; R1512-D1542 PolarHBondContact NH1-OD2 3.01Å; R1512-D1542 IonicContact NH2-OD1 3.71Å; R1512-D1542 PolarHBondContact NH2-OD1 2.69Å; R1512-D1542 IonicContact NH2-OD2 3.34Å; R1512-D1542 PolarHBondContact NH2-OD2 3.42Å; R1512-D1542 VanDerWaalsContact NH2-OD2 3.13Å; R1512-L1544 VanDerWaalsContact CZ-CB 3.49Å; R1512-L1544 PolarHBondContact NH1-O 3.47Å; R1512-F1546 HydrophobicContact CB-CE1 4.04Å; R1512-F1546 HydrophobicContact CB-CZ 4.44Å; R1512-F1546 HydrophobicContact CG-CE1 4.23Å |
| 1513 | G | 74 | Confident | 66.5 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -180 | 154.4 | 167 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1449 T1478 T1479 F1485 T1511 | I1449-G1513 CarbonylContact O-C 3.59Å; I1449-G1513 VanDerWaalsContact O-C 3.28Å; I1449-G1513 WeakPolarHBondContact O-CA 3.37Å; T1478-G1513 CarbonylContact C-O 3.59Å; T1478-G1513 WeakPolarHBondContact CA-O 3.19Å; T1478-G1513 PolarHBondContact OG1-O 3.37Å; T1479-G1513 PolarHBondContact N-O 2.74Å; T1479-G1513 PolarHBondContact O-N 2.8Å; F1485-G1513 WeakPolarHBondContact CE1-O 3.41Å; T1511-G1513 WeakPolarHBondContact OG1-CA 3.49Å; T1511-G1513 PolarHBondContact OG1-N 2.76Å; T1511-G1513 PolarHBondContact OG1-O 3.49Å |
| 1514 | L | 76.4 | Confident | 66.4 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.6 | -179.6 | -68 | 166.8 | 0 | 0 | 0 | 109.8 | T1448 I1449 F1451 V1457 I1460 I1476 S1477 I1488 L1509 T1511 F1516 I1534 | T1448-L1514 CarbonylContact C-O 3.6Å; T1448-L1514 WeakPolarHBondContact CA-O 3.3Å; I1449-L1514 PolarHBondContact N-O 2.78Å; I1449-L1514 PolarHBondContact O-N 3.33Å; F1451-L1514 HydrophobicContact CE2-CD1 4.24Å; F1451-L1514 HydrophobicContact CE2-CG 4.3Å; F1451-L1514 HydrophobicContact CZ-CD1 4.31Å; V1457-L1514 HydrophobicContact CG2-CD1 4.17Å; I1460-L1514 HydrophobicContact CD1-CD1 3.99Å; I1460-L1514 HydrophobicContact CD1-CD2 4.28Å; I1476-L1514 HydrophobicContact CG2-CD2 4.31Å; S1477-L1514 CarbonylContact O-C 3.6Å; S1477-L1514 WeakPolarHBondContact O-CA 3.37Å; I1488-L1514 HydrophobicContact CD1-CD2 4.25Å; L1509-L1514 HydrophobicContact CD2-CD2 3.94Å; T1511-L1514 HydrophobicContact CG2-CD1 4.46Å; T1511-L1514 HydrophobicContact CG2-CD2 4.38Å; T1511-L1514 HydrophobicContact CG2-CG 4.23Å; L1514-F1516 HydrophobicContact CB-CD2 4.42Å; L1514-F1516 HydrophobicContact CB-CE2 3.53Å; L1514-F1516 HydrophobicContact CB-CZ 3.84Å; L1514-F1516 HydrophobicContact CD1-CE2 4.48Å; L1514-F1516 HydrophobicContact CD1-CZ 4.16Å; L1514-I1534 HydrophobicContact CD1-CD1 3.65Å; L1514-I1534 HydrophobicContact CD1-CG1 4.16Å; L1514-I1534 HydrophobicContact CD1-CG2 4.01Å |
| 1515 | H | 73 | Confident | 66.3 | Low | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.065 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 111.3 | -174.1 | -174.3 | -153.7 | 0 | 0 | 0 | 108.7 | P1446 I1447 T1448 I1476 S1477 F1485 E1555 | P1446-H1515 VanDerWaalsContact CB-CD2 3.46Å; P1446-H1515 WeakPolarHBondContact CB-CD2 3.13Å; P1446-H1515 WeakPolarHBondContact CB-NE2 3.41Å; P1446-H1515 WeakPolarHBondContact CG-NE2 3.4Å; I1447-H1515 CarbonylContact O-C 3.31Å; I1447-H1515 WeakPolarHBondContact O-CA 3.13Å; T1448-H1515 PolarHBondContact OG1-CD2 2.8Å; T1448-H1515 PolarHBondContact OG1-NE2 2.83Å; I1476-H1515 CarbonylContact C-O 3.53Å; I1476-H1515 WeakPolarHBondContact CA-O 2.95Å; S1477-H1515 PolarHBondContact N-O 2.79Å; S1477-H1515 PolarHBondContact O-N 2.96Å; F1485-H1515 HydrophobicContact CB-CB 4.32Å; F1485-H1515 HydrophobicContact CD1-CB 3.24Å; F1485-H1515 HydrophobicContact CE1-CB 3.53Å; F1485-H1515 HydrophobicContact CG-CB 3.79Å; F1485-H1515 AromaticContact CG-ND1 3.99Å; F1485-H1515 HydrophobicContact CZ-CB 4.33Å; H1515-E1555 IonicContact CE1-OE1 3.36Å |
| 1516 | F | 71.5 | Confident | 65.9 | Low | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.4 | -173.4 | -57.9 | -90.5 | 0 | 0 | 0 | 109.3 | P1446 I1447 I1449 I1460 L1474 N1475 I1476 L1514 F1530 V1532 I1534 | P1446-F1516 CarbonylContact C-O 3.48Å; P1446-F1516 VanDerWaalsContact CA-O 3.32Å; P1446-F1516 WeakPolarHBondContact CA-O 3.49Å; P1446-F1516 WeakPolarHBondContact CB-O 3.5Å; I1447-F1516 HydrophobicContact CB-CB 4.23Å; I1447-F1516 HydrophobicContact CB-CD2 4.46Å; I1447-F1516 PolarHBondContact N-O 3.46Å; I1447-F1516 WeakPolarHBondContact O-CD2 3.13Å; I1447-F1516 PolarHBondContact O-N 2.96Å; I1449-F1516 HydrophobicContact CD1-CE2 4.02Å; I1460-F1516 HydrophobicContact CD1-CE1 4.48Å; I1460-F1516 HydrophobicContact CD1-CZ 4.37Å; I1460-F1516 HydrophobicContact CG2-CE1 3.8Å; I1460-F1516 HydrophobicContact CG2-CZ 4.14Å; L1474-F1516 HydrophobicContact CD1-CB 4.28Å; L1474-F1516 HydrophobicContact CD2-CD1 4.14Å; N1475-F1516 CarbonylContact O-C 3.48Å; N1475-F1516 WeakPolarHBondContact O-CA 3.42Å; I1476-F1516 HydrophobicContact CB-CD1 4.4Å; I1476-F1516 HydrophobicContact CB-CE1 4.42Å; I1476-F1516 HydrophobicContact CD1-CD1 4.24Å; I1476-F1516 HydrophobicContact CD1-CE1 3.92Å; I1476-F1516 HydrophobicContact CG1-CD1 3.83Å; I1476-F1516 HydrophobicContact CG1-CE1 3.95Å; I1476-F1516 HydrophobicContact CG2-CD1 4Å; I1476-F1516 HydrophobicContact CG2-CE1 3.68Å; I1476-F1516 HydrophobicContact CG2-CZ 4.23Å; L1514-F1516 HydrophobicContact CB-CD2 4.42Å; L1514-F1516 HydrophobicContact CB-CE2 3.53Å; L1514-F1516 HydrophobicContact CB-CZ 3.84Å; L1514-F1516 HydrophobicContact CD1-CE2 4.48Å; L1514-F1516 HydrophobicContact CD1-CZ 4.16Å; F1516-F1530 HydrophobicContact CB-CZ 4.5Å; F1516-V1532 HydrophobicContact CD1-CG2 4.31Å; F1516-V1532 HydrophobicContact CE1-CG1 3.85Å; F1516-V1532 HydrophobicContact CE1-CG2 4.44Å; F1516-V1532 HydrophobicContact CE2-CG1 4.43Å; F1516-V1532 HydrophobicContact CG-CG2 4.47Å; F1516-V1532 HydrophobicContact CZ-CG1 3.81Å; F1516-I1534 HydrophobicContact CE2-CD1 4.09Å; F1516-I1534 HydrophobicContact CZ-CD1 4.09Å; F1516-I1534 HydrophobicContact CZ-CG1 4.41Å |
| 1517 | I | 68.3 | Low | 66.2 | Low | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.6 | -179.2 | -60.3 | 151.5 | 0 | 0 | 0 | 107.8 | H1444 P1446 N1475 V1519 | H1444-I1517 HydrophobicContact CB-CG2 4.46Å; P1446-I1517 HydrophobicContact CB-CG1 3.61Å; N1475-I1517 HydrophobicContact CB-CB 4.17Å; N1475-I1517 PolarHBondContact N-O 3.14Å; N1475-I1517 PolarHBondContact O-N 2.59Å; I1517-V1519 PolarHBondContact O-N 2.92Å |
| 1518 | T | 64.8 | Low | 66.3 | Low | 27 Ų | 27 | 41.7 Ų | 41.7 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 116.2 | 168.5 | 39.2 | 0 | 0 | 0 | 0 | 109.5 | I1471 L1474 F1530 | I1471-T1518 HydrophobicContact CB-CG2 4.49Å; I1471-T1518 HydrophobicContact CD1-CG2 3.46Å; I1471-T1518 VanDerWaalsContact CD1-CG2 3.46Å; I1471-T1518 HydrophobicContact CG1-CG2 3.73Å; I1471-T1518 HydrophobicContact CG2-CG2 3.9Å; L1474-T1518 HydrophobicContact CD1-CG2 3.89Å; T1518-F1530 HydrophobicContact CG2-CD1 4.39Å; T1518-F1530 HydrophobicContact CG2-CE1 3.74Å; T1518-F1530 HydrophobicContact CG2-CZ 4.1Å |
| 1519 | V | 67.9 | Low | 66.2 | Low | 60 Ų | 60 | 40.8 Ų | 40.8 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -33.3 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | I1473 N1475 I1517 | I1473-V1519 HydrophobicContact CB-CB 4Å; I1473-V1519 HydrophobicContact CG2-CB 3.73Å; I1473-V1519 HydrophobicContact CG2-CG1 4.33Å; I1473-V1519 HydrophobicContact CG2-CG2 4.03Å; I1473-V1519 PolarHBondContact O-N 2.81Å; N1475-V1519 HydrophobicContact CB-CG2 3.93Å; N1475-V1519 WeakPolarHBondContact ND2-CG2 3.22Å; I1517-V1519 PolarHBondContact O-N 2.92Å |
| 1520 | D | 65.5 | Low | 66.1 | Low | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 148.9 | -178.6 | -166.3 | 32.7 | 0 | 0 | 0 | 112.3 | K1472 I1473 N1524 | K1472-D1520 HydrophobicContact CB-CB 4.22Å; K1472-D1520 WeakPolarHBondContact CD-OD2 3.48Å; K1472-D1520 PolarHBondContact N-O 2.8Å; I1473-D1520 HydrophobicContact CB-CB 4.12Å; I1473-D1520 HydrophobicContact CD1-CB 4.17Å; I1473-D1520 HydrophobicContact CG1-CB 4.09Å; I1473-D1520 PolarHBondContact N-O 2.8Å; I1473-D1520 VanDerWaalsContact N-O 3.11Å; I1473-D1520 PolarHBondContact O-N 2.81Å; D1520-N1524 PolarHBondContact OD1-ND2 3.26Å; D1520-N1524 PolarHBondContact OD1-OD1 2.77Å |
| 1521 | A | 67.1 | Low | 65.6 | Low | 9 Ų | 9 | 38.7 Ų | 38.7 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1470 K1472 N1524 A1528 | K1470-A1521 CarbonylContact O-C 3.59Å; K1470-A1521 WeakPolarHBondContact O-CA 3.19Å; K1472-A1521 PolarHBondContact NZ-O 3.49Å; A1521-N1524 WeakPolarHBondContact CA-OD1 3.35Å; A1521-N1524 WeakPolarHBondContact CB-OD1 3.41Å; A1521-N1524 PolarHBondContact N-OD1 2.92Å; A1521-A1528 HydrophobicContact CB-CB 4.16Å |
| 1522 | E | 71.5 | Confident | 65 | Low | 87 Ų | 87 | 39.1 Ų | 39.1 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -65.9 | -41.5 | 178.4 | -86.2 | 173.3 | 178.2 | 0 | 0 | 112.5 | N1469 K1470 K1472 K1493 | N1469-E1522 PolarHBondContact OD1-N 2.83Å; K1470-E1522 HydrophobicContact CB-CG 4.47Å; K1470-E1522 WeakPolarHBondContact CB-OE2 3.07Å; K1470-E1522 PolarHBondContact N-OE2 3.22Å; K1470-E1522 PolarHBondContact O-N 2.74Å; K1472-E1522 HydrophobicContact CG-CG 4.38Å; K1493-E1522 IonicContact NZ-OE1 3.43Å; K1493-E1522 PolarHBondContact NZ-OE1 3Å |
| 1523 | D | 66.2 | Low | 64.2 | Low | 48 Ų | 48 | 39.4 Ų | 39.4 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | trans | -130.8 | 96.5 | 172.1 | -175.5 | -2.3 | 0 | 0 | 0 | 109.3 | N1469 T1525 Q1526 | N1469-D1523 VanDerWaalsContact CG-O 3.31Å; N1469-D1523 PolarHBondContact ND2-O 2.97Å; N1469-D1523 PolarHBondContact OD1-N 3.11Å; N1469-D1523 PolarHBondContact OD1-O 2.86Å; D1523-T1525 VanDerWaalsContact CG-OG1 3.23Å; D1523-T1525 PolarHBondContact O-N 2.85Å; D1523-T1525 WeakPolarHBondContact OD1-CA 3.37Å; D1523-T1525 VanDerWaalsContact OD1-CB 3.28Å; D1523-T1525 WeakPolarHBondContact OD1-CB 3.39Å; D1523-T1525 PolarHBondContact OD1-N 2.83Å; D1523-T1525 PolarHBondContact OD1-OG1 2.82Å; D1523-T1525 PolarHBondContact OD2-OG1 2.95Å; D1523-Q1526 HydrophobicContact CB-CB 4.48Å; D1523-Q1526 PolarHBondContact O-N 2.83Å; D1523-Q1526 WeakPolarHBondContact OD2-CG 3.18Å; D1523-Q1526 PolarHBondContact OD2-NE2 2.84Å | ||
| 1524 | N | 60.3 | Low | 63.8 | Low | 112 Ų | 112 | 40.3 Ų | 40.3 | 60% | 0.599 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4 | 177.7 | -68.1 | -25.2 | 0 | 0 | 0 | 113.3 | D1520 A1521 | D1520-N1524 PolarHBondContact OD1-ND2 3.26Å; D1520-N1524 PolarHBondContact OD1-OD1 2.77Å; A1521-N1524 WeakPolarHBondContact CA-OD1 3.35Å; A1521-N1524 WeakPolarHBondContact CB-OD1 3.41Å; A1521-N1524 PolarHBondContact N-OD1 2.92Å |
| 1525 | T | 56.8 | Low | 63.1 | Low | 115 Ų | 115 | 43 Ų | 43 | 71% | 0.706 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.9 | 174 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | D1523 | D1523-T1525 VanDerWaalsContact CG-OG1 3.23Å; D1523-T1525 PolarHBondContact O-N 2.85Å; D1523-T1525 WeakPolarHBondContact OD1-CA 3.37Å; D1523-T1525 VanDerWaalsContact OD1-CB 3.28Å; D1523-T1525 WeakPolarHBondContact OD1-CB 3.39Å; D1523-T1525 PolarHBondContact OD1-N 2.83Å; D1523-T1525 PolarHBondContact OD1-OG1 2.82Å; D1523-T1525 PolarHBondContact OD2-OG1 2.95Å |
| 1526 | Q | 50.2 | Low | 62.8 | Low | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -108.2 | 160 | 174.7 | -70.7 | -178.5 | 47.8 | 0 | 0 | 110.7 | N1469 D1523 | N1469-Q1526 HydrophobicContact CB-CB 4.17Å; N1469-Q1526 PolarHBondContact ND2-O 2.79Å; D1523-Q1526 HydrophobicContact CB-CB 4.48Å; D1523-Q1526 PolarHBondContact O-N 2.83Å; D1523-Q1526 WeakPolarHBondContact OD2-CG 3.18Å; D1523-Q1526 PolarHBondContact OD2-NE2 2.84Å |
| 1527 | N | 53.4 | Low | 62.5 | Low | 62 Ų | 62 | 43.7 Ų | 43.7 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | trans | -75 | 133.1 | 175.3 | -65.6 | -38.9 | 0 | 0 | 0 | 110.3 | Q1437 N1469 | Q1437-N1527 PolarHBondContact O-ND2 3.38Å; Q1437-N1527 PolarHBondContact O-OD1 2.73Å; Q1437-N1527 VanDerWaalsContact O-OD1 3.1Å; N1469-N1527 PolarHBondContact ND2-O 2.77Å | ||
| 1528 | A | 56.9 | Low | 62.3 | Low | 21 Ų | 21 | 46.1 Ų | 46.1 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | trans | -101.4 | 104 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1471 A1521 | I1471-A1528 HydrophobicContact CG1-CB 3.96Å; A1521-A1528 HydrophobicContact CB-CB 4.16Å | ||
| 1529 | N | 57.7 | Low | 62.1 | Low | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | trans | -84.7 | 126.8 | 177 | -66 | -26.9 | 0 | 0 | 0 | 110.5 | G1435 L1465 D1466 | G1435-N1529 PolarHBondContact O-OD1 3.36Å; L1465-N1529 HydrophobicContact CB-CB 4.09Å; L1465-N1529 PolarHBondContact N-O 2.78Å; D1466-N1529 HydrophobicContact CB-CB 4.28Å; D1466-N1529 PolarHBondContact N-O 2.9Å | ||
| 1530 | F | 64.4 | Low | 61.8 | Low | 18 Ų | 18 | 47.9 Ų | 47.9 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163 | 173.3 | 77.5 | -70 | 0 | 0 | 0 | 111.5 | I1447 I1463 I1471 L1474 F1516 T1518 V1532 | I1447-F1530 HydrophobicContact CD1-CD1 4.42Å; I1447-F1530 HydrophobicContact CD1-CE1 3.7Å; I1447-F1530 HydrophobicContact CD1-CE2 3.89Å; I1447-F1530 HydrophobicContact CD1-CZ 3.39Å; I1447-F1530 HydrophobicContact CG1-CE1 4.44Å; I1447-F1530 HydrophobicContact CG1-CZ 4.11Å; I1463-F1530 CarbonylContact O-C 3.58Å; I1463-F1530 WeakPolarHBondContact O-CA 3.18Å; I1471-F1530 HydrophobicContact CD1-CB 3.5Å; I1471-F1530 HydrophobicContact CD1-CD1 3.2Å; I1471-F1530 HydrophobicContact CD1-CD2 3.86Å; I1471-F1530 HydrophobicContact CD1-CE1 3.74Å; I1471-F1530 HydrophobicContact CD1-CE2 4.32Å; I1471-F1530 HydrophobicContact CD1-CG 3.24Å; I1471-F1530 HydrophobicContact CD1-CZ 4.26Å; L1474-F1530 HydrophobicContact CD1-CE2 3.92Å; L1474-F1530 HydrophobicContact CD1-CZ 3.89Å; L1474-F1530 HydrophobicContact CD2-CE2 4.3Å; F1516-F1530 HydrophobicContact CB-CZ 4.5Å; T1518-F1530 HydrophobicContact CG2-CD1 4.39Å; T1518-F1530 HydrophobicContact CG2-CE1 3.74Å; T1518-F1530 HydrophobicContact CG2-CZ 4.1Å; F1530-V1532 HydrophobicContact CD2-CG2 3.69Å; F1530-V1532 HydrophobicContact CE2-CG2 3.45Å; F1530-V1532 VanDerWaalsContact CE2-CG2 3.45Å |
| 1531 | S | 60 | Low | 61.3 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 158.9 | 170.3 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | I1432 V1433 P1462 I1463 | I1432-S1531 VanDerWaalsContact CG2-CB 3.49Å; V1433-S1531 WeakPolarHBondContact O-CA 3.4Å; V1433-S1531 WeakPolarHBondContact O-CB 3.35Å; P1462-S1531 CarbonylContact C-O 3.53Å; I1463-S1531 WeakPolarHBondContact CB-OG 3.27Å; I1463-S1531 PolarHBondContact N-O 3.3Å; I1463-S1531 PolarHBondContact O-N 3.24Å; I1463-S1531 PolarHBondContact O-OG 3.38Å |
| 1532 | V | 64 | Low | 61.2 | Low | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | I1460 R1461 F1516 F1530 I1534 | I1460-V1532 HydrophobicContact CG2-CG1 3.6Å; R1461-V1532 CarbonylContact O-C 3.48Å; R1461-V1532 WeakPolarHBondContact O-CA 3.49Å; F1516-V1532 HydrophobicContact CD1-CG2 4.31Å; F1516-V1532 HydrophobicContact CE1-CG1 3.85Å; F1516-V1532 HydrophobicContact CE1-CG2 4.44Å; F1516-V1532 HydrophobicContact CE2-CG1 4.43Å; F1516-V1532 HydrophobicContact CG-CG2 4.47Å; F1516-V1532 HydrophobicContact CZ-CG1 3.81Å; F1530-V1532 HydrophobicContact CD2-CG2 3.69Å; F1530-V1532 HydrophobicContact CE2-CG2 3.45Å; F1530-V1532 VanDerWaalsContact CE2-CG2 3.45Å; V1532-I1534 HydrophobicContact CG1-CG1 4.13Å |
| 1533 | A | 59 | Low | 60.6 | Low | 16 Ų | 16 | 55.7 Ų | 55.7 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1461 I1463 Y1535 | R1461-A1533 HydrophobicContact CB-CB 4.2Å; R1461-A1533 PolarHBondContact N-O 3.03Å; R1461-A1533 PolarHBondContact O-N 2.77Å; I1463-A1533 HydrophobicContact CD1-CB 4.47Å; A1533-Y1535 HydrophobicContact CB-CE2 3.85Å |
| 1534 | I | 64.1 | Low | 60.3 | Low | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.9 | -179.4 | -60.3 | 161.6 | 0 | 0 | 0 | 108.4 | I1429 I1449 V1457 I1460 L1514 F1516 V1532 | I1429-I1534 WeakPolarHBondContact CG2-O 3.31Å; I1449-I1534 HydrophobicContact CD1-CD1 3.4Å; V1457-I1534 HydrophobicContact CB-CG2 4.33Å; V1457-I1534 HydrophobicContact CG1-CG2 3.71Å; V1457-I1534 HydrophobicContact CG2-CG2 3.67Å; I1460-I1534 HydrophobicContact CG1-CG1 4.41Å; L1514-I1534 HydrophobicContact CD1-CD1 3.65Å; L1514-I1534 HydrophobicContact CD1-CG1 4.16Å; L1514-I1534 HydrophobicContact CD1-CG2 4.01Å; F1516-I1534 HydrophobicContact CE2-CD1 4.09Å; F1516-I1534 HydrophobicContact CZ-CD1 4.09Å; F1516-I1534 HydrophobicContact CZ-CG1 4.41Å; V1532-I1534 HydrophobicContact CG1-CG1 4.13Å |
| 1535 | Y | 62.5 | Low | 60.5 | Low | 56 Ų | 56 | 58.5 Ų | 58.5 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.5 | 177.7 | -56 | -95.2 | 0 | 0 | 0 | 109.8 | I1429 V1457 S1458 Q1459 R1461 A1533 | I1429-Y1535 HydrophobicContact CG2-CD1 4.01Å; I1429-Y1535 HydrophobicContact CG2-CG 4.43Å; V1457-Y1535 CarbonylContact C-O 3.47Å; V1457-Y1535 WeakPolarHBondContact CA-O 3.42Å; V1457-Y1535 WeakPolarHBondContact CG1-O 3.22Å; S1458-Y1535 PolarHBondContact N-O 2.75Å; S1458-Y1535 PolarHBondContact OG-O 3.26Å; Q1459-Y1535 HydrophobicContact CB-CD2 3.93Å; Q1459-Y1535 HydrophobicContact CB-CG 4.28Å; Q1459-Y1535 HydrophobicContact CG-CD2 3.68Å; Q1459-Y1535 HydrophobicContact CG-CE2 4.26Å; Q1459-Y1535 HydrophobicContact CG-CG 4.45Å; Q1459-Y1535 PolarHBondContact N-O 2.78Å; Q1459-Y1535 VanDerWaalsContact N-O 3.14Å; Q1459-Y1535 PolarHBondContact O-N 2.84Å; R1461-Y1535 HydrophobicContact CB-CE2 4.09Å; A1533-Y1535 HydrophobicContact CB-CE2 3.85Å |
| 1536 | G | 67.4 | Low | 60.8 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -162.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1429 Y1456 | I1429-G1536 WeakPolarHBondContact CD1-O 3.46Å; Y1456-G1536 CarbonylContact O-C 3.6Å; Y1456-G1536 VanDerWaalsContact O-C 3.29Å; Y1456-G1536 WeakPolarHBondContact O-CA 3.35Å |
| 1537 | C | 64.9 | Low | 61.5 | Low | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.4 | 173.4 | 80.2 | 0 | 0 | 0 | 0 | 109.4 | C1404 V1455 Y1456 | C1404-C1537 HydrophobicContact CB-CB 3.77Å; C1404-C1537 WeakPolarHBondContact CB-SG 2.99Å; C1404-C1537 WeakPolarHBondContact SG-CB 3.39Å; C1404-C1537 CovalentContact SG-SG 2.05Å; C1404-C1537 PolarHBondContact SG-SG 3.32Å; V1455-C1537 WeakPolarHBondContact CG1-O 3.35Å; Y1456-C1537 VanDerWaalsContact CD2-SG 3.58Å; Y1456-C1537 PolarHBondContact N-O 3.19Å; Y1456-C1537 PolarHBondContact O-N 3.25Å |
| 1538 | K | 63.4 | Low | 61.8 | Low | 87 Ų | 87 | 51.3 Ų | 51.3 | 38% | 0.378 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 148.2 | 175.1 | -72.9 | 178.2 | 177 | -177.4 | 0 | 110.8 | Q1453 V1455 | Q1453-K1538 HydrophobicContact CG-CD 4.47Å; V1455-K1538 HydrophobicContact CG2-CG 4.46Å |
| 1539 | A | 61.6 | Low | 62 | Low | 8 Ų | 8 | 53.6 Ų | 53.6 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | trans | -66.5 | 137.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1454 Y1456 W1541 | L1454-A1539 HydrophobicContact CB-CB 3.95Å; L1454-A1539 HydrophobicContact CD2-CB 4.2Å; L1454-A1539 HydrophobicContact CG-CB 4.31Å; L1454-A1539 VanDerWaalsContact O-CB 3.3Å; L1454-A1539 WeakPolarHBondContact O-CB 3.47Å; L1454-A1539 PolarHBondContact O-N 2.71Å; Y1456-A1539 HydrophobicContact CD2-CB 4.32Å; Y1456-A1539 HydrophobicContact CE1-CB 4.49Å; Y1456-A1539 VanDerWaalsContact CE2-CA 3.46Å; Y1456-A1539 HydrophobicContact CE2-CB 3.64Å; A1539-W1541 PolarHBondContact O-N 3.46Å | ||
| 1540 | I | 61.4 | Low | 61.9 | Low | 115 Ų | 115 | 55.4 Ų | 55.4 | 59% | 0.59 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -60.3 | -32.5 | -179 | -63.8 | 173.3 | 0 | 0 | 0 | 111.3 | K1403 | K1403-I1540 HydrophobicContact CB-CD1 4.42Å; K1403-I1540 WeakPolarHBondContact O-CD1 3.49Å |
| 1541 | W | 55.4 | Low | 61.1 | Low | 201 Ų | 201 | 57.4 Ų | 57.4 | 76% | 0.761 | 30% | 0.297 | S | S | * | . | trans | -144.7 | 134.8 | 179 | -178.2 | 73.7 | 0 | 0 | 0 | 110 | A1539 P1543 | A1539-W1541 PolarHBondContact O-N 3.46Å; W1541-P1543 HydrophobicContact CE3-CG 4.42Å; W1541-P1543 HydrophobicContact CH2-CB 3.77Å; W1541-P1543 HydrophobicContact CH2-CG 3.7Å; W1541-P1543 HydrophobicContact CZ2-CB 3.82Å; W1541-P1543 HydrophobicContact CZ2-CG 4.19Å; W1541-P1543 HydrophobicContact CZ3-CB 4.37Å; W1541-P1543 HydrophobicContact CZ3-CG 3.83Å | ||
| 1542 | D | 64 | Low | 60.4 | Low | 19 Ų | 19 | 66.6 Ų | 66.6 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | trans | -142.3 | 109 | 177.9 | 179.9 | 9.2 | 0 | 0 | 0 | 111.1 | Q1453 L1454 R1512 L1544 | Q1453-D1542 WeakPolarHBondContact CA-OD2 3.42Å; Q1453-D1542 HydrophobicContact CB-CB 4.32Å; Q1453-D1542 WeakPolarHBondContact CB-OD2 3.29Å; L1454-D1542 HydrophobicContact CB-CB 4.37Å; L1454-D1542 PolarHBondContact N-OD2 2.77Å; R1512-D1542 IonicContact CZ-OD1 3.31Å; R1512-D1542 IonicContact CZ-OD2 2.65Å; R1512-D1542 VanDerWaalsContact CZ-OD2 3.25Å; R1512-D1542 IonicContact NH1-OD1 2.83Å; R1512-D1542 PolarHBondContact NH1-OD1 3.32Å; R1512-D1542 IonicContact NH1-OD2 2.89Å; R1512-D1542 PolarHBondContact NH1-OD2 3.01Å; R1512-D1542 IonicContact NH2-OD1 3.71Å; R1512-D1542 PolarHBondContact NH2-OD1 2.69Å; R1512-D1542 IonicContact NH2-OD2 3.34Å; R1512-D1542 PolarHBondContact NH2-OD2 3.42Å; R1512-D1542 VanDerWaalsContact NH2-OD2 3.13Å; D1542-L1544 VanDerWaalsContact C-N 3.26Å; D1542-L1544 PolarHBondContact O-N 3.43Å; D1542-L1544 PolarHBondContact OD1-N 3.07Å | ||
| 1543 | P | 58.6 | Low | 59.6 | Low | 87 Ų | 87 | 70.5 Ų | 70.5 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -9.7 | -179.7 | 29.1 | -32.8 | 0 | 0 | 0 | 114.3 | W1541 | W1541-P1543 HydrophobicContact CE3-CG 4.42Å; W1541-P1543 HydrophobicContact CH2-CB 3.77Å; W1541-P1543 HydrophobicContact CH2-CG 3.7Å; W1541-P1543 HydrophobicContact CZ2-CB 3.82Å; W1541-P1543 HydrophobicContact CZ2-CG 4.19Å; W1541-P1543 HydrophobicContact CZ3-CB 4.37Å; W1541-P1543 HydrophobicContact CZ3-CG 3.83Å |
| 1544 | L | 61.5 | Low | 58.6 | Low | 96 Ų | 96 | 75.9 Ų | 75.9 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 25 | -172.9 | -62.1 | 167.7 | 0 | 0 | 0 | 112.7 | R1512 D1542 F1546 | R1512-L1544 VanDerWaalsContact CZ-CB 3.49Å; R1512-L1544 PolarHBondContact NH1-O 3.47Å; D1542-L1544 VanDerWaalsContact C-N 3.26Å; D1542-L1544 PolarHBondContact O-N 3.43Å; D1542-L1544 PolarHBondContact OD1-N 3.07Å; L1544-F1546 PolarHBondContact O-N 3.23Å |
| 1545 | K | 63 | Low | 57.2 | Low | 124 Ų | 124 | 81.6 Ų | 81.6 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | trans | -47.7 | 132.8 | 172.9 | -95.4 | -176.1 | 171.9 | 179.4 | 0 | 110.8 | D1452 Q1453 | D1452-K1545 VanDerWaalsContact O-CA 3.3Å; D1452-K1545 WeakPolarHBondContact O-CA 3.22Å; Q1453-K1545 HydrophobicContact CB-CD 4.3Å; Q1453-K1545 HydrophobicContact CB-CG 3.7Å | ||
| 1546 | F | 64.1 | Low | 55.7 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 13% | 0.132 | 43% | 0.431 | C | S | . | . | trans | -140.6 | 156.2 | -177.3 | 70.4 | -76 | 0 | 0 | 0 | 110.3 | L1450 F1451 D1452 R1512 L1544 P1548 K1551 | L1450-F1546 HydrophobicContact CB-CZ 4.49Å; L1450-F1546 HydrophobicContact CD1-CE2 4.24Å; L1450-F1546 HydrophobicContact CD2-CZ 4.26Å; F1451-F1546 WeakPolarHBondContact O-CE1 3.15Å; F1451-F1546 VanDerWaalsContact O-CZ 3.25Å; F1451-F1546 WeakPolarHBondContact O-CZ 3.41Å; D1452-F1546 WeakPolarHBondContact CA-O 3.48Å; D1452-F1546 PolarHBondContact O-N 3.48Å; R1512-F1546 HydrophobicContact CB-CE1 4.04Å; R1512-F1546 HydrophobicContact CB-CZ 4.44Å; R1512-F1546 HydrophobicContact CG-CE1 4.23Å; L1544-F1546 PolarHBondContact O-N 3.23Å; F1546-P1548 HydrophobicContact CE2-CB 4.27Å; F1546-P1548 VanDerWaalsContact O-CD 3.32Å; F1546-P1548 WeakPolarHBondContact O-CD 3.36Å; F1546-K1551 HydrophobicContact CD2-CD 4.1Å; F1546-K1551 HydrophobicContact CD2-CG 3.95Å; F1546-K1551 HydrophobicContact CE2-CD 4.38Å; F1546-K1551 HydrophobicContact CE2-CG 4.31Å | ||
| 1547 | D | 63.8 | Low | 53.7 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -77.1 | 115.3 | 170.9 | 177.9 | 5.8 | 0 | 0 | 0 | 109.2 | C1549 S1550 | D1547-C1549 PolarHBondContact O-N 2.93Å; D1547-C1549 PolarHBondContact OD1-N 3.38Å; D1547-S1550 PolarHBondContact O-N 3.19Å; D1547-S1550 VanDerWaalsContact O-N 3.15Å; D1547-S1550 PolarHBondContact O-OG 2.94Å | ||
| 1548 | P | 59.8 | Low | 52 | Low | 6 Ų | 6 | 101.3 Ų | 101.3 | 4% | 0.039 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -66.8 | -25 | 179.9 | -11.3 | 25.5 | 0 | 0 | 0 | 113 | S1423 L1450 D1452 F1546 S1550 | S1423-P1548 WeakPolarHBondContact OG-CB 3.06Å; L1450-P1548 HydrophobicContact CB-CB 3.78Å; L1450-P1548 HydrophobicContact CD1-CB 4.28Å; D1452-P1548 HydrophobicContact CB-CG 4.02Å; F1546-P1548 HydrophobicContact CE2-CB 4.27Å; F1546-P1548 VanDerWaalsContact O-CD 3.32Å; F1546-P1548 WeakPolarHBondContact O-CD 3.36Å; P1548-S1550 VanDerWaalsContact C-N 3.28Å; P1548-S1550 PolarHBondContact O-N 3.38Å |
| 1549 | C | 60.5 | Low | 50.3 | Low | 70 Ų | 70 | 104.3 Ų | 104.3 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -75.9 | -14 | 175.9 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | C1419 S1423 D1547 | C1419-C1549 WeakPolarHBondContact CB-SG 3.26Å; C1419-C1549 WeakPolarHBondContact SG-CB 3.43Å; C1419-C1549 CovalentContact SG-SG 2.08Å; C1419-C1549 PolarHBondContact SG-SG 3.13Å; S1423-C1549 PolarHBondContact OG-N 2.85Å; S1423-C1549 PolarHBondContact OG-SG 3.34Å; D1547-C1549 PolarHBondContact O-N 2.93Å; D1547-C1549 PolarHBondContact OD1-N 3.38Å |
| 1550 | S | 56.1 | Low | 48.7 | Very low | 82 Ų | 82 | 109.8 Ų | 109.8 | 57% | 0.573 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -90.9 | -8.6 | -178.6 | 82.3 | 0 | 0 | 0 | 0 | 114.2 | D1547 P1548 | D1547-S1550 PolarHBondContact O-N 3.19Å; D1547-S1550 VanDerWaalsContact O-N 3.15Å; D1547-S1550 PolarHBondContact O-OG 2.94Å; P1548-S1550 VanDerWaalsContact C-N 3.28Å; P1548-S1550 PolarHBondContact O-N 3.38Å |
| 1551 | K | 47.4 | Very low | 47.5 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 27% | 0.265 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 118.4 | -175.8 | -69.3 | -135.3 | -176.4 | 175.1 | 0 | 111.7 | D1481 I1483 F1546 | D1481-K1551 PolarHBondContact O-NZ 2.7Å; I1483-K1551 HydrophobicContact CD1-CD 3.84Å; I1483-K1551 VanDerWaalsContact CD1-NZ 3.3Å; I1483-K1551 HydrophobicContact CG1-CD 3.41Å; I1483-K1551 VanDerWaalsContact CG1-CD 3.41Å; F1546-K1551 HydrophobicContact CD2-CD 4.1Å; F1546-K1551 HydrophobicContact CD2-CG 3.95Å; F1546-K1551 HydrophobicContact CE2-CD 4.38Å; F1546-K1551 HydrophobicContact CE2-CG 4.31Å |
| 1552 | K | 46.9 | Very low | 46.7 | Very low | 194 Ų | 194 | 107.8 Ų | 107.8 | 84% | 0.843 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 124.2 | 167.2 | -74.3 | -175.4 | 176.9 | -178.1 | 0 | 109.4 | ||
| 1553 | F | 45.7 | Very low | 46.1 | Very low | 90 Ų | 90 | 112.9 Ų | 112.9 | 40% | 0.395 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -67 | 134.7 | 174.9 | -55.4 | -79.8 | 0 | 0 | 0 | 110.2 | T1448 L1450 F1485 | T1448-F1553 HydrophobicContact CG2-CD1 4.48Å; T1448-F1553 HydrophobicContact CG2-CE1 3.63Å; T1448-F1553 HydrophobicContact CG2-CZ 3.7Å; L1450-F1553 HydrophobicContact CD1-CE1 3.38Å; L1450-F1553 HydrophobicContact CD1-CE2 4.4Å; L1450-F1553 HydrophobicContact CD1-CZ 3.27Å; L1450-F1553 HydrophobicContact CD2-CE1 4.08Å; L1450-F1553 HydrophobicContact CG-CE1 3.73Å; L1450-F1553 HydrophobicContact CG-CZ 3.75Å; F1485-F1553 HydrophobicContact CD2-CD1 4.45Å; F1485-F1553 AromaticContact CE2-CD1 3.71Å; F1485-F1553 HydrophobicContact CE2-CD1 3.71Å; F1485-F1553 AromaticContact CE2-CE1 3.58Å; F1485-F1553 HydrophobicContact CE2-CE1 3.58Å; F1485-F1553 HydrophobicContact CZ-CE1 4.07Å |
| 1554 | I | 39.5 | Very low | 46.1 | Very low | 129 Ų | 129 | 111.1 Ų | 111.1 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | trans | -109.6 | 97.2 | 167 | -58.1 | 173.7 | 0 | 0 | 0 | 105.4 | K1556 | I1554-K1556 PolarHBondContact O-N 3.45Š| ||
| 1555 | E | 33.9 | Very low | 46.2 | Very low | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | trans | -66.5 | 116.4 | 156.1 | -84.9 | -174.7 | 154.4 | 0 | 0 | 105.9 | H1515 E1557 | H1515-E1555 IonicContact CE1-OE1 3.36Å; E1555-E1557 VanDerWaalsContact C-N 3.3Å; E1555-E1557 PolarHBondContact O-N 2.86Å | ||
| 1556 | K | 30.6 | Very low | 46.7 | Very low | 178 Ų | 178 | 100.9 Ų | 100.9 | 77% | 0.774 | 49% | 0.493 | S | S | * | . | trans | -60.3 | 101.9 | 169.3 | -100.6 | -178.2 | 170.5 | -179.5 | 0 | 106.4 | I1554 N1558 | I1554-K1556 PolarHBondContact O-N 3.45Å; K1556-N1558 PolarHBondContact O-N 2.74Å | ||
| 1557 | E | 26.3 | Very low | 47.4 | Very low | 171 Ų | 171 | 99.5 Ų | 99.5 | 80% | 0.799 | 49% | 0.487 | S | S | * | . | trans | -45.5 | 131.4 | 149.1 | -76.7 | -173.2 | 161.9 | 0 | 0 | 105.4 | E1555 E1559 | E1555-E1557 VanDerWaalsContact C-N 3.3Å; E1555-E1557 PolarHBondContact O-N 2.86Å; E1557-E1559 PolarHBondContact O-N 3.25Å | ||
| 1558 | N | 28.6 | Very low | 47.8 | Very low | 153 Ų | 153 | 98.2 Ų | 98.2 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | trans | -60 | 81.7 | 171.6 | -82.1 | -31.7 | 0 | 0 | 0 | 106.8 | K1556 N1560 | K1556-N1558 PolarHBondContact O-N 2.74Å; N1558-N1560 VanDerWaalsContact C-N 3.29Å; N1558-N1560 PolarHBondContact O-N 2.8Å | ||
| 1559 | E | 27 | Very low | 48.4 | Very low | 150 Ų | 150 | 98.9 Ų | 98.9 | 70% | 0.701 | 48% | 0.483 | S | S | * | . | trans | -53.8 | 106.4 | 166.8 | -80.7 | -174.4 | 167.1 | 0 | 0 | 103.7 | E1557 K1561 | E1557-E1559 PolarHBondContact O-N 3.25Å; E1559-K1561 PolarHBondContact O-N 3.26Å | ||
| 1560 | N | 29.8 | Very low | 48.9 | Very low | 122 Ų | 122 | 103.2 Ų | 103.2 | 65% | 0.652 | 49% | 0.493 | S | S | * | . | trans | -59.1 | 71.7 | 167.3 | -80.9 | -31.4 | 0 | 0 | 0 | 107.2 | N1558 F1562 | N1558-N1560 VanDerWaalsContact C-N 3.29Å; N1558-N1560 PolarHBondContact O-N 2.8Å; N1560-F1562 VanDerWaalsContact C-N 3.31Å; N1560-F1562 PolarHBondContact O-N 2.89Å | ||
| 1561 | K | 35 | Very low | 49.8 | Very low | 156 Ų | 156 | 104.1 Ų | 104.1 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | trans | -66.8 | 98.9 | 168.5 | -87.4 | -171.3 | 175.2 | -174 | 0 | 105.2 | E1559 L1563 | E1559-K1561 PolarHBondContact O-N 3.26Å; K1561-L1563 PolarHBondContact O-N 3.47Å; K1561-L1563 VanDerWaalsContact O-N 3.14Å | ||
| 1562 | F | 38.4 | Very low | 51.2 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | trans | -39 | 118.5 | 178.4 | -57.8 | -76.9 | 0 | 0 | 0 | 109.9 | N1560 K1564 K1590 | N1560-F1562 VanDerWaalsContact C-N 3.31Å; N1560-F1562 PolarHBondContact O-N 2.89Å; F1562-K1564 VanDerWaalsContact C-N 3.32Å; F1562-K1564 PolarHBondContact O-N 3.41Å; F1562-K1590 PolarHBondContact O-NZ 3.48Å | ||
| 1563 | L | 51.5 | Low | 52.7 | Low | 125 Ų | 125 | 93.6 Ų | 93.6 | 65% | 0.654 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -72.9 | -18.8 | -160.6 | -78.7 | 157.6 | 0 | 0 | 0 | 114 | K1561 K1590 | K1561-L1563 PolarHBondContact O-N 3.47Å; K1561-L1563 VanDerWaalsContact O-N 3.14Å; L1563-K1590 WeakPolarHBondContact O-CE 3.19Å |
| 1564 | K | 58.6 | Low | 54.4 | Low | 51 Ų | 51 | 89.3 Ų | 89.3 | 22% | 0.222 | 42% | 0.424 | C | S | . | . | trans | -148.5 | 131.8 | -172.4 | -54.9 | -177.5 | -177.3 | -164 | 0 | 113 | F1562 C1576 E1577 T1667 W1709 | F1562-K1564 VanDerWaalsContact C-N 3.32Å; F1562-K1564 PolarHBondContact O-N 3.41Å; K1564-C1576 WeakPolarHBondContact CA-O 3.28Å; K1564-E1577 HydrophobicContact CD-CG 4.42Å; K1564-E1577 VanDerWaalsContact CE-CD 3.47Å; K1564-E1577 WeakPolarHBondContact CE-OE1 3.48Å; K1564-E1577 HydrophobicContact CG-CG 4.42Å; K1564-E1577 VanDerWaalsContact NZ-CD 3.3Å; K1564-E1577 IonicContact NZ-OE1 2.67Å; K1564-E1577 PolarHBondContact NZ-OE1 2.79Å; K1564-E1577 IonicContact NZ-OE2 3.89Å; K1564-T1667 PolarHBondContact O-OG1 3.1Å; K1564-W1709 HydrophobicContact CD-CZ3 4.3Å | ||
| 1565 | T | 64.6 | Low | 56.3 | Low | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.7 | 172.8 | 35.2 | 0 | 0 | 0 | 0 | 111.1 | C1576 E1612 D1666 | T1565-C1576 PolarHBondContact N-O 3.43Å; T1565-C1576 PolarHBondContact O-N 3.2Å; T1565-C1576 WeakPolarHBondContact OG1-CB 3.48Å; T1565-E1612 HydrophobicContact CG2-CG 4.4Å; T1565-D1666 VanDerWaalsContact CG2-OD1 3.26Å; T1565-D1666 WeakPolarHBondContact CG2-OD1 3.29Å |
| 1566 | I | 71.8 | Confident | 58 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.9 | -177.6 | -54.3 | -174.4 | 0 | 0 | 0 | 110.2 | M1568 F1574 S1664 Y1665 T1667 F1694 | I1566-M1568 HydrophobicContact CG2-CG 3.98Å; I1566-F1574 CarbonylContact C-O 3.53Å; I1566-F1574 WeakPolarHBondContact CA-O 3.46Å; I1566-S1664 CarbonylContact O-C 3.59Å; I1566-S1664 VanDerWaalsContact O-CA 3.28Å; I1566-S1664 WeakPolarHBondContact O-CA 3.34Å; I1566-Y1665 HydrophobicContact CB-CE2 4.19Å; I1566-Y1665 PolarHBondContact N-O 2.75Å; I1566-Y1665 VanDerWaalsContact N-O 3.11Å; I1566-Y1665 PolarHBondContact O-N 3.35Å; I1566-T1667 HydrophobicContact CD1-CG2 3.39Å; I1566-T1667 HydrophobicContact CG1-CG2 3.93Å; I1566-F1694 HydrophobicContact CD1-CD1 4.16Å; I1566-F1694 HydrophobicContact CD1-CE1 3.51Å; I1566-F1694 HydrophobicContact CD1-CZ 4.21Å; I1566-F1694 HydrophobicContact CG2-CE1 4.23Å; I1566-F1694 HydrophobicContact CG2-CZ 3.88Å |
| 1567 | L | 79.3 | Confident | 59.5 | Low | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.6 | 171.3 | -171.3 | 158.9 | 0 | 0 | 0 | 108.8 | T1569 F1574 I1613 L1616 I1662 | L1567-T1569 HydrophobicContact CD2-CG2 4.25Å; L1567-F1574 HydrophobicContact CB-CB 4.18Å; L1567-F1574 HydrophobicContact CB-CD2 4.32Å; L1567-F1574 HydrophobicContact CD2-CD2 3.73Å; L1567-F1574 HydrophobicContact CD2-CE2 4.18Å; L1567-F1574 PolarHBondContact N-O 2.79Å; L1567-F1574 PolarHBondContact O-N 2.9Å; L1567-I1613 HydrophobicContact CD1-CG2 4.05Å; L1567-L1616 HydrophobicContact CD1-CB 4.05Å; L1567-L1616 HydrophobicContact CD2-CB 3.88Å; L1567-L1616 HydrophobicContact CD2-CD2 4.35Å; L1567-I1662 WeakPolarHBondContact CD1-O 3.16Å; L1567-I1662 HydrophobicContact CD2-CB 4.49Å; L1567-I1662 HydrophobicContact CD2-CG2 3.92Å; L1567-I1662 HydrophobicContact CG-CG2 4.12Å |
| 1568 | M | 72.9 | Confident | 60.9 | Low | 62 Ų | 62 | 65.9 Ų | 65.9 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.7 | -175.6 | -62.2 | -173.5 | -53.3 | 0 | 0 | 112.5 | I1566 I1573 Y1665 F1694 | I1566-M1568 HydrophobicContact CG2-CG 3.98Å; M1568-I1573 HydrophobicContact CG-CD1 4.39Å; M1568-I1573 HydrophobicContact CG-CG1 3.91Å; M1568-Y1665 HydrophobicContact CE-CE1 3.96Å; M1568-Y1665 WeakPolarHBondContact CE-OH 3.26Å; M1568-Y1665 HydrophobicContact CG-CE1 4.27Å; M1568-Y1665 WeakPolarHBondContact CG-OH 3.42Å; M1568-Y1665 PolarHBondContact SD-OH 3.07Å; M1568-F1694 HydrophobicContact CG-CE2 4.22Å; M1568-F1694 HydrophobicContact CG-CZ 4.35Å; M1568-F1694 HydrophobicContact SD-CD2 4Å; M1568-F1694 HydrophobicContact SD-CE2 3.19Å; M1568-F1694 WeakPolarHBondContact SD-CE2 3.32Å; M1568-F1694 HydrophobicContact SD-CZ 3.84Å |
| 1569 | T | 72.8 | Confident | 61.6 | Low | 20 Ų | 20 | 60 Ų | 60 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -137.8 | 171.1 | 164.6 | 68.4 | 0 | 0 | 0 | 0 | 108.8 | L1567 E1571 F1572 L1616 I1662 W1692 | L1567-T1569 HydrophobicContact CD2-CG2 4.25Å; T1569-E1571 PolarHBondContact O-N 2.84Å; T1569-E1571 PolarHBondContact OG1-N 3.37Å; T1569-F1572 PolarHBondContact N-O 2.88Å; T1569-F1572 WeakPolarHBondContact OG1-CA 3.24Å; T1569-F1572 WeakPolarHBondContact OG1-CB 3.45Å; T1569-F1572 WeakPolarHBondContact OG1-CD2 3.46Å; T1569-F1572 PolarHBondContact OG1-N 2.78Å; T1569-F1572 PolarHBondContact OG1-O 3.38Å; T1569-L1616 HydrophobicContact CG2-CD2 3.63Å; T1569-I1662 HydrophobicContact CG2-CD1 3.54Å; T1569-W1692 PolarHBondContact O-NE1 3.26Å | ||
| 1570 | K | 71.4 | Confident | 62.3 | Low | 160 Ų | 160 | 57.5 Ų | 57.5 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -59.1 | -24.8 | 172.1 | -71 | -174.2 | 177.7 | -178.5 | 0 | 113.4 | W1701 | K1570-W1701 WeakPolarHBondContact O-CH2 3.19Š|
| 1571 | E | 75 | Confident | 62.5 | Low | 102 Ų | 102 | 56.9 Ų | 56.9 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -105.3 | -30.1 | -173.6 | -65.2 | 171 | 160.4 | 0 | 0 | 113.1 | T1569 T1596 G1597 K1618 | T1569-E1571 PolarHBondContact O-N 2.84Å; T1569-E1571 PolarHBondContact OG1-N 3.37Å; E1571-T1596 WeakPolarHBondContact O-CA 3.35Å; E1571-G1597 PolarHBondContact O-N 2.98Å; E1571-K1618 IonicContact OE2-NZ 3.27Å; E1571-K1618 PolarHBondContact OE2-NZ 3.12Å |
| 1572 | F | 76.7 | Confident | 62.5 | Low | 32 Ų | 32 | 56 Ų | 56 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.4 | -168.6 | -47.7 | -74.8 | 0 | 0 | 0 | 111.7 | T1569 F1574 M1594 V1595 T1596 M1639 | T1569-F1572 PolarHBondContact N-O 2.88Å; T1569-F1572 WeakPolarHBondContact OG1-CA 3.24Å; T1569-F1572 WeakPolarHBondContact OG1-CB 3.45Å; T1569-F1572 WeakPolarHBondContact OG1-CD2 3.46Å; T1569-F1572 PolarHBondContact OG1-N 2.78Å; T1569-F1572 PolarHBondContact OG1-O 3.38Å; F1572-F1574 HydrophobicContact CB-CD2 4.44Å; F1572-F1574 HydrophobicContact CB-CE2 3.78Å; F1572-F1574 HydrophobicContact CB-CZ 4.23Å; F1572-F1574 HydrophobicContact CG-CE2 4.49Å; F1572-M1594 HydrophobicContact CD1-CG 4.33Å; F1572-M1594 HydrophobicContact CD1-SD 3.91Å; F1572-M1594 HydrophobicContact CE1-SD 4.45Å; F1572-V1595 CarbonylContact C-O 3.54Å; F1572-V1595 WeakPolarHBondContact CA-O 3.06Å; F1572-T1596 HydrophobicContact CD1-CG2 3.97Å; F1572-T1596 HydrophobicContact CE1-CG2 4.05Å; F1572-M1639 HydrophobicContact CD1-CE 3.75Å; F1572-M1639 HydrophobicContact CD2-CE 3.8Å; F1572-M1639 HydrophobicContact CE1-CE 3.62Å; F1572-M1639 HydrophobicContact CE2-CE 3.67Å; F1572-M1639 HydrophobicContact CG-CE 3.86Å; F1572-M1639 HydrophobicContact CZ-CE 3.59Å |
| 1573 | I | 78.1 | Confident | 62.7 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.3 | 158.6 | -103.7 | 177.7 | 0 | 0 | 0 | 108.5 | M1568 Y1575 M1594 V1595 W1692 F1694 I1699 | M1568-I1573 HydrophobicContact CG-CD1 4.39Å; M1568-I1573 HydrophobicContact CG-CG1 3.91Å; I1573-Y1575 HydrophobicContact CG2-CD1 4.48Å; I1573-M1594 CarbonylContact O-C 3.46Å; I1573-M1594 VanDerWaalsContact O-CA 3.24Å; I1573-M1594 WeakPolarHBondContact O-CA 3.49Å; I1573-V1595 HydrophobicContact CB-CB 4.28Å; I1573-V1595 HydrophobicContact CG2-CB 4.04Å; I1573-V1595 HydrophobicContact CG2-CG2 3.99Å; I1573-V1595 PolarHBondContact N-O 2.76Å; I1573-V1595 PolarHBondContact O-N 3.26Å; I1573-W1692 HydrophobicContact CB-CD2 4.45Å; I1573-W1692 HydrophobicContact CB-CH2 4.42Å; I1573-W1692 HydrophobicContact CB-CZ2 4.12Å; I1573-W1692 HydrophobicContact CD1-CB 3.99Å; I1573-W1692 HydrophobicContact CD1-CD2 3.25Å; I1573-W1692 HydrophobicContact CD1-CE3 3.39Å; I1573-W1692 HydrophobicContact CD1-CG 3.56Å; I1573-W1692 HydrophobicContact CD1-CH2 4.47Å; I1573-W1692 HydrophobicContact CD1-CZ2 4.38Å; I1573-W1692 HydrophobicContact CD1-CZ3 3.98Å; I1573-W1692 HydrophobicContact CG1-CD2 3.82Å; I1573-W1692 HydrophobicContact CG1-CE3 4.32Å; I1573-W1692 HydrophobicContact CG1-CG 4.06Å; I1573-W1692 HydrophobicContact CG1-CZ2 4.34Å; I1573-F1694 HydrophobicContact CD1-CE1 4.5Å; I1573-F1694 HydrophobicContact CD1-CE2 3.75Å; I1573-F1694 HydrophobicContact CD1-CZ 3.43Å; I1573-F1694 VanDerWaalsContact CD1-CZ 3.43Å; I1573-F1694 HydrophobicContact CG1-CZ 4.35Å; I1573-I1699 HydrophobicContact CD1-CG2 3.74Å |
| 1574 | F | 81.2 | Confident | 62.1 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.4 | 162.5 | -57.2 | -92.4 | 0 | 0 | 0 | 107.9 | I1566 L1567 F1572 F1593 M1594 M1606 I1613 L1616 I1623 M1639 | I1566-F1574 CarbonylContact C-O 3.53Å; I1566-F1574 WeakPolarHBondContact CA-O 3.46Å; L1567-F1574 HydrophobicContact CB-CB 4.18Å; L1567-F1574 HydrophobicContact CB-CD2 4.32Å; L1567-F1574 HydrophobicContact CD2-CD2 3.73Å; L1567-F1574 HydrophobicContact CD2-CE2 4.18Å; L1567-F1574 PolarHBondContact N-O 2.79Å; L1567-F1574 PolarHBondContact O-N 2.9Å; F1572-F1574 HydrophobicContact CB-CD2 4.44Å; F1572-F1574 HydrophobicContact CB-CE2 3.78Å; F1572-F1574 HydrophobicContact CB-CZ 4.23Å; F1572-F1574 HydrophobicContact CG-CE2 4.49Å; F1574-F1593 CarbonylContact C-O 3.57Å; F1574-F1593 VanDerWaalsContact CA-O 3.29Å; F1574-F1593 WeakPolarHBondContact CA-O 2.81Å; F1574-M1594 HydrophobicContact CD1-CB 3.65Å; F1574-M1594 HydrophobicContact CD1-CG 3.86Å; F1574-M1594 HydrophobicContact CE1-CB 3.5Å; F1574-M1594 VanDerWaalsContact CE1-CB 3.5Å; F1574-M1594 HydrophobicContact CE1-CG 3.35Å; F1574-M1594 HydrophobicContact CE1-SD 3.55Å; F1574-M1594 VanDerWaalsContact CE1-SD 3.55Å; F1574-M1594 HydrophobicContact CZ-CB 4.38Å; F1574-M1594 HydrophobicContact CZ-CG 3.74Å; F1574-M1594 HydrophobicContact CZ-SD 3.67Å; F1574-M1606 HydrophobicContact CD1-CE 3.86Å; F1574-M1606 HydrophobicContact CD1-SD 4.19Å; F1574-M1606 HydrophobicContact CE1-CE 3.55Å; F1574-M1606 HydrophobicContact CE1-SD 4.08Å; F1574-I1613 HydrophobicContact CB-CB 4.34Å; F1574-I1613 HydrophobicContact CB-CG1 4.18Å; F1574-I1613 HydrophobicContact CB-CG2 4.3Å; F1574-I1613 HydrophobicContact CD1-CG1 4.37Å; F1574-I1613 HydrophobicContact CG-CG2 4.35Å; F1574-L1616 HydrophobicContact CE2-CD2 4.38Å; F1574-I1623 HydrophobicContact CD1-CD1 4.43Å; F1574-I1623 HydrophobicContact CE1-CD1 3.38Å; F1574-I1623 HydrophobicContact CE1-CG1 4.36Å; F1574-I1623 HydrophobicContact CZ-CD1 3.52Å; F1574-I1623 HydrophobicContact CZ-CG1 4.17Å; F1574-M1639 HydrophobicContact CZ-CE 3.92Å |
| 1575 | Y | 78.3 | Confident | 60.7 | Low | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.7 | 174.6 | 85.9 | -90.9 | 0 | 0 | 0 | 109.8 | I1573 E1577 C1592 F1593 V1595 | I1573-Y1575 HydrophobicContact CG2-CD1 4.48Å; Y1575-E1577 HydrophobicContact CD2-CB 4.24Å; Y1575-E1577 HydrophobicContact CE2-CB 4.17Å; Y1575-C1592 CarbonylContact O-C 3.58Å; Y1575-C1592 WeakPolarHBondContact O-CA 3.38Å; Y1575-F1593 HydrophobicContact CD1-CB 3.91Å; Y1575-F1593 HydrophobicContact CD2-CD2 4.46Å; Y1575-F1593 HydrophobicContact CE1-CB 3.44Å; Y1575-F1593 VanDerWaalsContact CE1-CB 3.44Å; Y1575-F1593 AromaticContact CE1-CD2 3.85Å; Y1575-F1593 HydrophobicContact CE1-CD2 3.85Å; Y1575-F1593 AromaticContact CE1-CG 3.93Å; Y1575-F1593 HydrophobicContact CE1-CG 3.93Å; Y1575-F1593 AromaticContact CE2-CD2 3.71Å; Y1575-F1593 HydrophobicContact CE2-CD2 3.71Å; Y1575-F1593 HydrophobicContact CE2-CE2 4.32Å; Y1575-F1593 AromaticContact CZ-CD2 3.33Å; Y1575-F1593 AromaticContact CZ-CG 3.85Å; Y1575-F1593 PolarHBondContact N-O 3.27Å; Y1575-F1593 PolarHBondContact O-N 2.84Å; Y1575-F1593 VanDerWaalsContact OH-CD2 3.25Å; Y1575-F1593 WeakPolarHBondContact OH-CD2 3.46Å; Y1575-V1595 HydrophobicContact CD1-CG2 4.27Å; Y1575-V1595 HydrophobicContact CE1-CG2 4.29Å |
| 1576 | C | 71.2 | Confident | 59.4 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.8 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | K1564 T1565 H1591 C1592 I1613 | K1564-C1576 WeakPolarHBondContact CA-O 3.28Å; T1565-C1576 PolarHBondContact N-O 3.43Å; T1565-C1576 PolarHBondContact O-N 3.2Å; T1565-C1576 WeakPolarHBondContact OG1-CB 3.48Å; C1576-H1591 WeakPolarHBondContact CA-O 3.21Å; C1576-C1592 HydrophobicContact CB-CB 4.11Å; C1576-C1592 WeakPolarHBondContact CB-SG 3.47Å; C1576-C1592 WeakPolarHBondContact SG-CB 3.43Å; C1576-C1592 CovalentContact SG-SG 2.03Å; C1576-C1592 PolarHBondContact SG-SG 2.79Å; C1576-I1613 PolarHBondContact SG-N 3.29Å; C1576-I1613 VanDerWaalsContact SG-N 3.36Å |
| 1577 | E | 61.8 | Low | 57.8 | Low | 33 Ų | 33 | 66.6 Ų | 66.6 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.3 | -176.5 | -175.2 | 164 | -165.4 | 0 | 0 | 110.8 | K1564 Y1575 S1579 K1590 H1591 | K1564-E1577 HydrophobicContact CD-CG 4.42Å; K1564-E1577 VanDerWaalsContact CE-CD 3.47Å; K1564-E1577 WeakPolarHBondContact CE-OE1 3.48Å; K1564-E1577 HydrophobicContact CG-CG 4.42Å; K1564-E1577 VanDerWaalsContact NZ-CD 3.3Å; K1564-E1577 IonicContact NZ-OE1 2.67Å; K1564-E1577 PolarHBondContact NZ-OE1 2.79Å; K1564-E1577 IonicContact NZ-OE2 3.89Å; Y1575-E1577 HydrophobicContact CD2-CB 4.24Å; Y1575-E1577 HydrophobicContact CE2-CB 4.17Å; E1577-S1579 PolarHBondContact O-N 3.48Å; E1577-K1590 CarbonylContact O-C 3.41Å; E1577-K1590 WeakPolarHBondContact O-CA 3.43Å; E1577-H1591 PolarHBondContact N-O 2.77Å; E1577-H1591 PolarHBondContact O-N 3.37Å |
| 1578 | V | 54.6 | Low | 56 | Low | 53 Ų | 53 | 73.6 Ų | 73.6 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 107.3 | 171.3 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | P1580 N1588 K1590 | V1578-P1580 WeakPolarHBondContact O-CD 3.47Å; V1578-N1588 HydrophobicContact CG1-CB 4.07Å; V1578-K1590 HydrophobicContact CG2-CG 4.3Å |
| 1579 | S | 43.1 | Very low | 54.8 | Low | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | trans | -75.4 | 123.8 | 179 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | E1577 L1581 H1591 | E1577-S1579 PolarHBondContact O-N 3.48Å; S1579-L1581 PolarHBondContact O-N 3.24Å; S1579-L1581 PolarHBondContact OG-N 2.57Å; S1579-L1581 VanDerWaalsContact OG-N 3.12Å; S1579-H1591 VanDerWaalsContact CB-CB 3.48Å | ||
| 1580 | P | 41.8 | Very low | 54.1 | Low | 98 Ų | 98 | 73.8 Ų | 73.8 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | trans | -72 | -7.5 | 170.5 | 27.3 | -30.8 | 0 | 0 | 0 | 112.5 | V1578 | V1578-P1580 WeakPolarHBondContact O-CD 3.47Š| ||
| 1581 | L | 34.4 | Very low | 53.8 | Low | 109 Ų | 109 | 67 Ų | 67 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | trans | -103.3 | 87.4 | -169.2 | -80.3 | 158.7 | 0 | 0 | 0 | 113 | S1579 | S1579-L1581 PolarHBondContact O-N 3.24Å; S1579-L1581 PolarHBondContact OG-N 2.57Å; S1579-L1581 VanDerWaalsContact OG-N 3.12Å | ||
| 1582 | K | 35.8 | Very low | 53.6 | Low | 137 Ų | 137 | 62.1 Ų | 62.1 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | trans | 162 | 95.2 | 132.5 | -92.4 | 174.2 | 176.9 | 171.3 | 0 | 108.6 | R1584 | K1582-R1584 VanDerWaalsContact C-N 3.27Å; K1582-R1584 PolarHBondContact O-N 2.93Å; K1582-R1584 VanDerWaalsContact O-N 3.13Å | ||
| 1583 | I | 42.3 | Very low | 53.6 | Low | 60 Ų | 60 | 62.4 Ų | 62.4 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | 43.6 | 50.2 | 80.3 | -41.1 | 172.3 | 0 | 0 | 0 | 112.1 | Y1290 V1362 | Y1290-I1583 HydrophobicContact CG-CD1 4.16Å; V1362-I1583 HydrophobicContact CB-CD1 4.3Å; V1362-I1583 HydrophobicContact CG2-CD1 4.22Å; V1362-I1583 HydrophobicContact CG2-CG1 4.48Å | |
| 1584 | R | 37.3 | Very low | 53.6 | Low | 155 Ų | 155 | 63 Ų | 63 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -172.8 | -18.2 | 146.8 | -105.4 | 162.1 | -165.8 | -141.3 | 2.3 | 117.2 | V1293 K1582 | V1293-R1584 HydrophobicContact CG2-CG 3.56Å; K1582-R1584 VanDerWaalsContact C-N 3.27Å; K1582-R1584 PolarHBondContact O-N 2.93Å; K1582-R1584 VanDerWaalsContact O-N 3.13Å |
| 1585 | N | 30.7 | Very low | 53.2 | Low | 136 Ų | 136 | 63.2 Ų | 63.2 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -150.8 | 133 | 172.7 | -93.5 | -28.1 | 0 | 0 | 0 | 110.9 | T1587 | N1585-T1587 PolarHBondContact O-N 2.78Š|
| 1586 | I | 37 | Very low | 52.7 | Low | 90 Ų | 90 | 62.3 Ų | 62.3 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | trans | -75.8 | 87.6 | -176.9 | -55.6 | 162.3 | 0 | 0 | 0 | 109.1 | A1357 K1358 | A1357-I1586 HydrophobicContact CB-CD1 4.21Å; K1358-I1586 HydrophobicContact CB-CD1 4.45Å; K1358-I1586 WeakPolarHBondContact O-CD1 3.36Å | ||
| 1587 | T | 37.8 | Very low | 52 | Low | 82 Ų | 82 | 62.4 Ų | 62.4 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -141.9 | 124 | 157.1 | 35.1 | 0 | 0 | 0 | 0 | 106.8 | N1585 E1589 | N1585-T1587 PolarHBondContact O-N 2.78Å; T1587-E1589 PolarHBondContact O-N 3.43Å; T1587-E1589 PolarHBondContact OG1-OE1 2.98Å | ||
| 1588 | N | 41.4 | Very low | 51.5 | Low | 149 Ų | 149 | 65.3 Ų | 65.3 | 80% | 0.797 | 34% | 0.344 | S | S | * | . | trans | -66.4 | 80.9 | 171.7 | -71.8 | -12.3 | 0 | 0 | 0 | 107.9 | V1578 | V1578-N1588 HydrophobicContact CG1-CB 4.07Š| ||
| 1589 | E | 48 | Very low | 51.1 | Low | 41 Ų | 41 | 67.5 Ų | 67.5 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | trans | -88.4 | 123 | 178.1 | -68.1 | -174.1 | -153 | 0 | 0 | 108.4 | T1587 S1628 H1629 | T1587-E1589 PolarHBondContact O-N 3.43Å; T1587-E1589 PolarHBondContact OG1-OE1 2.98Å; E1589-S1628 WeakPolarHBondContact OE2-CB 3.5Å; E1589-S1628 PolarHBondContact OE2-OG 2.84Å; E1589-H1629 IonicContact OE1-CE1 3.48Å; E1589-H1629 PolarHBondContact OE1-CE1 2.72Å; E1589-H1629 IonicContact OE1-ND1 3.41Å | ||
| 1590 | K | 57.4 | Low | 51.4 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 19% | 0.191 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 139.6 | 168.4 | -70.3 | -179.2 | 177.4 | -176.8 | 0 | 108 | F1562 L1563 E1577 V1578 T1611 | F1562-K1590 PolarHBondContact O-NZ 3.48Å; L1563-K1590 WeakPolarHBondContact O-CE 3.19Å; E1577-K1590 CarbonylContact O-C 3.41Å; E1577-K1590 WeakPolarHBondContact O-CA 3.43Å; V1578-K1590 HydrophobicContact CG2-CG 4.3Å; K1590-T1611 HydrophobicContact CB-CG2 4.24Å; K1590-T1611 WeakPolarHBondContact CB-O 3.29Å; K1590-T1611 VanDerWaalsContact O-CA 3.31Å; K1590-T1611 WeakPolarHBondContact O-CA 3.48Å; K1590-T1611 WeakPolarHBondContact O-CG2 3.37Å |
| 1591 | H | 66.1 | Low | 51.9 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.4 | -180 | -134.5 | -96 | 0 | 0 | 0 | 107.3 | C1576 E1577 S1579 F1593 D1605 Q1608 | C1576-H1591 WeakPolarHBondContact CA-O 3.21Å; E1577-H1591 PolarHBondContact N-O 2.77Å; E1577-H1591 PolarHBondContact O-N 3.37Å; S1579-H1591 VanDerWaalsContact CB-CB 3.48Å; H1591-F1593 HydrophobicContact CB-CE2 4.08Å; H1591-F1593 HydrophobicContact CB-CZ 4.25Å; H1591-F1593 AromaticContact ND1-CZ 3.9Å; H1591-D1605 VanDerWaalsContact CE1-CG 3.44Å; H1591-D1605 IonicContact CE1-OD1 3.33Å; H1591-D1605 PolarHBondContact CE1-OD1 2.79Å; H1591-D1605 IonicContact CE1-OD2 3.76Å; H1591-D1605 PolarHBondContact CE1-OD2 2.89Å; H1591-D1605 IonicContact ND1-OD1 2.91Å; H1591-D1605 PolarHBondContact ND1-OD1 2.71Å; H1591-D1605 IonicContact ND1-OD2 3.22Å; H1591-Q1608 WeakPolarHBondContact NE2-CA 3.04Å |
| 1592 | C | 70.8 | Confident | 53 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.5 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | Y1575 C1576 M1606 I1610 T1611 E1612 I1613 | Y1575-C1592 CarbonylContact O-C 3.58Å; Y1575-C1592 WeakPolarHBondContact O-CA 3.38Å; C1576-C1592 HydrophobicContact CB-CB 4.11Å; C1576-C1592 WeakPolarHBondContact CB-SG 3.47Å; C1576-C1592 WeakPolarHBondContact SG-CB 3.43Å; C1576-C1592 CovalentContact SG-SG 2.03Å; C1576-C1592 PolarHBondContact SG-SG 2.79Å; C1592-M1606 HydrophobicContact CB-CB 3.96Å; C1592-M1606 HydrophobicContact CB-CG 4.03Å; C1592-M1606 VanDerWaalsContact O-CB 3.22Å; C1592-M1606 WeakPolarHBondContact O-CB 3.32Å; C1592-M1606 VanDerWaalsContact O-CG 3.29Å; C1592-M1606 WeakPolarHBondContact O-CG 3.19Å; C1592-M1606 PolarHBondContact O-N 2.78Å; C1592-I1610 HydrophobicContact CB-CG2 4.17Å; C1592-I1610 PolarHBondContact N-O 3.37Å; C1592-I1610 PolarHBondContact SG-O 2.65Å; C1592-I1610 VanDerWaalsContact SG-O 3.38Å; C1592-T1611 VanDerWaalsContact SG-C 3.52Å; C1592-E1612 PolarHBondContact SG-N 3.28Å; C1592-I1613 HydrophobicContact CB-CD1 4.16Å; C1592-I1613 HydrophobicContact CB-CG1 3.85Å |
| 1593 | F | 76.5 | Confident | 54.2 | Low | 38 Ų | 38 | 64.6 Ų | 64.6 | 17% | 0.167 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.2 | 177.1 | -57.5 | -87.3 | 0 | 0 | 0 | 110 | F1574 Y1575 H1591 I1603 T1604 D1605 | F1574-F1593 CarbonylContact C-O 3.57Å; F1574-F1593 VanDerWaalsContact CA-O 3.29Å; F1574-F1593 WeakPolarHBondContact CA-O 2.81Å; Y1575-F1593 HydrophobicContact CD1-CB 3.91Å; Y1575-F1593 HydrophobicContact CD2-CD2 4.46Å; Y1575-F1593 HydrophobicContact CE1-CB 3.44Å; Y1575-F1593 VanDerWaalsContact CE1-CB 3.44Å; Y1575-F1593 AromaticContact CE1-CD2 3.85Å; Y1575-F1593 HydrophobicContact CE1-CD2 3.85Å; Y1575-F1593 AromaticContact CE1-CG 3.93Å; Y1575-F1593 HydrophobicContact CE1-CG 3.93Å; Y1575-F1593 AromaticContact CE2-CD2 3.71Å; Y1575-F1593 HydrophobicContact CE2-CD2 3.71Å; Y1575-F1593 HydrophobicContact CE2-CE2 4.32Å; Y1575-F1593 AromaticContact CZ-CD2 3.33Å; Y1575-F1593 AromaticContact CZ-CG 3.85Å; Y1575-F1593 PolarHBondContact N-O 3.27Å; Y1575-F1593 PolarHBondContact O-N 2.84Å; Y1575-F1593 VanDerWaalsContact OH-CD2 3.25Å; Y1575-F1593 WeakPolarHBondContact OH-CD2 3.46Å; H1591-F1593 HydrophobicContact CB-CE2 4.08Å; H1591-F1593 HydrophobicContact CB-CZ 4.25Å; H1591-F1593 AromaticContact ND1-CZ 3.9Å; F1593-I1603 HydrophobicContact CB-CG2 4.22Å; F1593-I1603 HydrophobicContact CD1-CG2 4.24Å; F1593-T1604 CarbonylContact C-O 3.58Å; F1593-T1604 WeakPolarHBondContact CA-O 3.48Å; F1593-D1605 HydrophobicContact CD1-CB 4.23Å; F1593-D1605 HydrophobicContact CE1-CB 4.22Å |
| 1594 | M | 77.8 | Confident | 55.3 | Low | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.064 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.3 | 169.4 | -177.9 | -174.8 | 71.9 | 0 | 0 | 110.2 | F1572 I1573 F1574 T1596 I1603 T1604 M1606 M1639 | F1572-M1594 HydrophobicContact CD1-CG 4.33Å; F1572-M1594 HydrophobicContact CD1-SD 3.91Å; F1572-M1594 HydrophobicContact CE1-SD 4.45Å; I1573-M1594 CarbonylContact O-C 3.46Å; I1573-M1594 VanDerWaalsContact O-CA 3.24Å; I1573-M1594 WeakPolarHBondContact O-CA 3.49Å; F1574-M1594 HydrophobicContact CD1-CB 3.65Å; F1574-M1594 HydrophobicContact CD1-CG 3.86Å; F1574-M1594 HydrophobicContact CE1-CB 3.5Å; F1574-M1594 VanDerWaalsContact CE1-CB 3.5Å; F1574-M1594 HydrophobicContact CE1-CG 3.35Å; F1574-M1594 HydrophobicContact CE1-SD 3.55Å; F1574-M1594 VanDerWaalsContact CE1-SD 3.55Å; F1574-M1594 HydrophobicContact CZ-CB 4.38Å; F1574-M1594 HydrophobicContact CZ-CG 3.74Å; F1574-M1594 HydrophobicContact CZ-SD 3.67Å; M1594-T1596 HydrophobicContact CE-CG2 4.14Å; M1594-I1603 CarbonylContact O-C 3.54Å; M1594-I1603 WeakPolarHBondContact O-CA 3.17Å; M1594-T1604 PolarHBondContact N-O 2.75Å; M1594-T1604 PolarHBondContact O-N 2.78Å; M1594-M1606 HydrophobicContact CB-CG 4.46Å; M1594-M1606 HydrophobicContact CB-SD 3.53Å; M1594-M1606 VanDerWaalsContact CB-SD 3.53Å; M1594-M1639 HydrophobicContact SD-CB 4.32Å; M1594-M1639 HydrophobicContact SD-CE 3.71Å |
| 1595 | V | 72.1 | Confident | 56.8 | Low | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.1 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | F1572 I1573 Y1575 I1601 T1602 I1603 W1692 I1706 | F1572-V1595 CarbonylContact C-O 3.54Å; F1572-V1595 WeakPolarHBondContact CA-O 3.06Å; I1573-V1595 HydrophobicContact CB-CB 4.28Å; I1573-V1595 HydrophobicContact CG2-CB 4.04Å; I1573-V1595 HydrophobicContact CG2-CG2 3.99Å; I1573-V1595 PolarHBondContact N-O 2.76Å; I1573-V1595 PolarHBondContact O-N 3.26Å; Y1575-V1595 HydrophobicContact CD1-CG2 4.27Å; Y1575-V1595 HydrophobicContact CE1-CG2 4.29Å; V1595-I1601 HydrophobicContact CG1-CG2 3.61Å; V1595-T1602 WeakPolarHBondContact CA-O 3.15Å; V1595-I1603 HydrophobicContact CG1-CG1 4.29Å; V1595-I1603 HydrophobicContact CG2-CG1 4.25Å; V1595-W1692 HydrophobicContact CB-CH2 4.17Å; V1595-W1692 HydrophobicContact CG1-CH2 3.69Å; V1595-W1692 HydrophobicContact CG1-CZ3 4.36Å; V1595-I1706 HydrophobicContact CG1-CG2 3.96Å |
| 1596 | T | 69.2 | Low | 58.9 | Low | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.2 | 179.3 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | E1571 F1572 M1594 T1602 | E1571-T1596 WeakPolarHBondContact O-CA 3.35Å; F1572-T1596 HydrophobicContact CD1-CG2 3.97Å; F1572-T1596 HydrophobicContact CE1-CG2 4.05Å; M1594-T1596 HydrophobicContact CE-CG2 4.14Å; T1596-T1602 PolarHBondContact N-O 2.74Å; T1596-T1602 PolarHBondContact OG1-N 3.13Å; T1596-T1602 VanDerWaalsContact OG1-N 3.15Å; T1596-T1602 PolarHBondContact OG1-O 2.81Å; T1596-T1602 PolarHBondContact OG1-OG1 3.34Å |
| 1597 | G | 57 | Low | 60.3 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -80.2 | -12.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1571 W1701 | E1571-G1597 PolarHBondContact O-N 2.98Å; G1597-W1701 WeakPolarHBondContact O-CZ2 3.5Å; G1597-W1701 PolarHBondContact O-NE1 2.88Å | ||
| 1598 | S | 50.9 | Low | 61.3 | Low | 93 Ų | 93 | 51.6 Ų | 51.6 | 65% | 0.65 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -90.2 | 125.6 | 177.2 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | P1600 | S1598-P1600 CarbonylContact O-C 3.56Å; S1598-P1600 VanDerWaalsContact O-C 3.27Å |
| 1599 | F | 45.9 | Very low | 62.3 | Low | 100 Ų | 100 | 50.4 Ų | 50.4 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -60.8 | 131.1 | -177.3 | -129.6 | -85.8 | 0 | 0 | 0 | 111.9 | Y1379 I1601 | Y1379-F1599 AromaticContact CE1-CE1 3.4Å; Y1379-F1599 HydrophobicContact CE1-CE1 3.4Å; Y1379-F1599 AromaticContact CE1-CZ 3.54Å; Y1379-F1599 HydrophobicContact CE1-CZ 3.54Å; Y1379-F1599 AromaticContact CZ-CE1 3.51Å; Y1379-F1599 AromaticContact CZ-CZ 3.8Å; Y1379-F1599 WeakPolarHBondContact OH-CE1 3.04Å; Y1379-F1599 WeakPolarHBondContact OH-CZ 3.26Å; F1599-I1601 HydrophobicContact CD2-CD1 4.12Å; F1599-I1601 HydrophobicContact CD2-CG1 4.41Å; F1599-I1601 HydrophobicContact CE2-CD1 3.65Å; F1599-I1601 HydrophobicContact CE2-CG1 4.4Å; F1599-I1601 HydrophobicContact CZ-CD1 4.26Å |
| 1600 | P | 48.1 | Very low | 63.6 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 63% | 0.63 | 27% | 0.265 | S | S | * | . | S | Bend | cis | -75.2 | 134.7 | 1.6 | 30.3 | -33.5 | 0 | 0 | 0 | 113.3 | S1598 T1602 | S1598-P1600 CarbonylContact O-C 3.56Å; S1598-P1600 VanDerWaalsContact O-C 3.27Å; P1600-T1602 PolarHBondContact O-N 2.67Å |
| 1601 | I | 53.2 | Low | 64.3 | Low | 45 Ų | 45 | 47.3 Ų | 47.3 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 122.6 | 173.6 | -64.2 | 140.6 | 0 | 0 | 0 | 109 | V1595 F1599 I1706 | V1595-I1601 HydrophobicContact CG1-CG2 3.61Å; F1599-I1601 HydrophobicContact CD2-CD1 4.12Å; F1599-I1601 HydrophobicContact CD2-CG1 4.41Å; F1599-I1601 HydrophobicContact CE2-CD1 3.65Å; F1599-I1601 HydrophobicContact CE2-CG1 4.4Å; F1599-I1601 HydrophobicContact CZ-CD1 4.26Å; I1601-I1706 HydrophobicContact CD1-CD1 3.25Å; I1601-I1706 HydrophobicContact CG1-CD1 4.05Å; I1601-I1706 HydrophobicContact CG2-CG2 4.36Å |
| 1602 | T | 58.3 | Low | 65 | Low | 68 Ų | 68 | 48.6 Ų | 48.6 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | trans | -111 | 130 | 173.1 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | V1595 T1596 P1600 | V1595-T1602 WeakPolarHBondContact CA-O 3.15Å; T1596-T1602 PolarHBondContact N-O 2.74Å; T1596-T1602 PolarHBondContact OG1-N 3.13Å; T1596-T1602 VanDerWaalsContact OG1-N 3.15Å; T1596-T1602 PolarHBondContact OG1-O 2.81Å; T1596-T1602 PolarHBondContact OG1-OG1 3.34Å; P1600-T1602 PolarHBondContact O-N 2.67Å | ||
| 1603 | I | 60.8 | Low | 65.7 | Low | 102 Ų | 102 | 48.7 Ų | 48.7 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.1 | 172.4 | -56.6 | 177 | 0 | 0 | 0 | 106.9 | F1593 M1594 V1595 | F1593-I1603 HydrophobicContact CB-CG2 4.22Å; F1593-I1603 HydrophobicContact CD1-CG2 4.24Å; M1594-I1603 CarbonylContact O-C 3.54Å; M1594-I1603 WeakPolarHBondContact O-CA 3.17Å; V1595-I1603 HydrophobicContact CG1-CG1 4.29Å; V1595-I1603 HydrophobicContact CG2-CG1 4.25Å |
| 1604 | T | 65.6 | Low | 66.1 | Low | 45 Ų | 45 | 48.1 Ų | 48.1 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.6 | 179.5 | -50.9 | 0 | 0 | 0 | 0 | 108.8 | F1593 M1594 M1606 | F1593-T1604 CarbonylContact C-O 3.58Å; F1593-T1604 WeakPolarHBondContact CA-O 3.48Å; M1594-T1604 PolarHBondContact N-O 2.75Å; M1594-T1604 PolarHBondContact O-N 2.78Å; T1604-M1606 PolarHBondContact O-N 2.92Å |
| 1605 | D | 67.2 | Low | 66.6 | Low | 71 Ų | 71 | 48.6 Ų | 48.6 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 126.5 | 170.8 | -177 | -6.2 | 0 | 0 | 0 | 109.4 | H1591 F1593 G1607 | H1591-D1605 VanDerWaalsContact CE1-CG 3.44Å; H1591-D1605 IonicContact CE1-OD1 3.33Å; H1591-D1605 PolarHBondContact CE1-OD1 2.79Å; H1591-D1605 IonicContact CE1-OD2 3.76Å; H1591-D1605 PolarHBondContact CE1-OD2 2.89Å; H1591-D1605 IonicContact ND1-OD1 2.91Å; H1591-D1605 PolarHBondContact ND1-OD1 2.71Å; H1591-D1605 IonicContact ND1-OD2 3.22Å; F1593-D1605 HydrophobicContact CD1-CB 4.23Å; F1593-D1605 HydrophobicContact CE1-CB 4.22Å; D1605-G1607 PolarHBondContact O-N 3.25Å; D1605-G1607 PolarHBondContact OD1-N 3.43Å |
| 1606 | M | 75.1 | Confident | 67.3 | Low | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -79.1 | -1.8 | -178.6 | -58 | -57.6 | -78.1 | 0 | 0 | 112.7 | F1574 C1592 M1594 T1604 I1613 I1623 W1643 | F1574-M1606 HydrophobicContact CD1-CE 3.86Å; F1574-M1606 HydrophobicContact CD1-SD 4.19Å; F1574-M1606 HydrophobicContact CE1-CE 3.55Å; F1574-M1606 HydrophobicContact CE1-SD 4.08Å; C1592-M1606 HydrophobicContact CB-CB 3.96Å; C1592-M1606 HydrophobicContact CB-CG 4.03Å; C1592-M1606 VanDerWaalsContact O-CB 3.22Å; C1592-M1606 WeakPolarHBondContact O-CB 3.32Å; C1592-M1606 VanDerWaalsContact O-CG 3.29Å; C1592-M1606 WeakPolarHBondContact O-CG 3.19Å; C1592-M1606 PolarHBondContact O-N 2.78Å; M1594-M1606 HydrophobicContact CB-CG 4.46Å; M1594-M1606 HydrophobicContact CB-SD 3.53Å; M1594-M1606 VanDerWaalsContact CB-SD 3.53Å; T1604-M1606 PolarHBondContact O-N 2.92Å; M1606-I1613 HydrophobicContact CE-CD1 4.29Å; M1606-I1623 HydrophobicContact CE-CD1 3.34Å; M1606-I1623 HydrophobicContact CE-CG2 4.36Å; M1606-W1643 HydrophobicContact CB-CZ2 4.24Å; M1606-W1643 HydrophobicContact CE-CZ2 3.92Å; M1606-W1643 PolarHBondContact O-NE1 3.03Å | ||
| 1607 | G | 66.3 | Low | 68.2 | Low | 25 Ų | 25 | 47.6 Ų | 47.6 | 26% | 0.258 | 26% | 0.263 | S | S | . | . | trans | 104.6 | 153.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1605 E1609 I1610 | D1605-G1607 PolarHBondContact O-N 3.25Å; D1605-G1607 PolarHBondContact OD1-N 3.43Å; G1607-E1609 VanDerWaalsContact C-N 3.28Å; G1607-E1609 PolarHBondContact O-N 2.73Å; G1607-I1610 PolarHBondContact O-N 2.93Å | ||
| 1608 | Q | 59.4 | Low | 69.3 | Low | 109 Ų | 109 | 49.1 Ų | 49.1 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.4 | -165.4 | -63.9 | -168.6 | -56.4 | 0 | 0 | 115.5 | H1591 | H1591-Q1608 WeakPolarHBondContact NE2-CA 3.04Š|
| 1609 | E | 63.2 | Low | 70.5 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.4 | -175.8 | -63.1 | -171.6 | -178.8 | 0 | 0 | 112.7 | G1607 T1611 N1627 S1628 | G1607-E1609 VanDerWaalsContact C-N 3.28Å; G1607-E1609 PolarHBondContact O-N 2.73Å; E1609-T1611 PolarHBondContact O-N 3.19Å; E1609-N1627 HydrophobicContact CB-CB 4.34Å; E1609-N1627 WeakPolarHBondContact O-CA 3.5Å; E1609-N1627 WeakPolarHBondContact O-CB 3.09Å; E1609-S1628 PolarHBondContact O-N 2.97Å |
| 1610 | I | 74.6 | Confident | 72.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.6 | -171.6 | -56.1 | -65.7 | 0 | 0 | 0 | 110.7 | C1592 G1607 I1613 R1626 L1634 W1643 | C1592-I1610 HydrophobicContact CB-CG2 4.17Å; C1592-I1610 PolarHBondContact N-O 3.37Å; C1592-I1610 PolarHBondContact SG-O 2.65Å; C1592-I1610 VanDerWaalsContact SG-O 3.38Å; G1607-I1610 PolarHBondContact O-N 2.93Å; I1610-I1613 HydrophobicContact CG2-CD1 3.6Å; I1610-R1626 WeakPolarHBondContact CA-O 3.45Å; I1610-L1634 HydrophobicContact CD1-CB 4.29Å; I1610-L1634 HydrophobicContact CD1-CD1 3.86Å; I1610-W1643 HydrophobicContact CB-CZ2 4.32Å; I1610-W1643 HydrophobicContact CD1-CB 4.48Å; I1610-W1643 HydrophobicContact CD1-CD2 3.41Å; I1610-W1643 VanDerWaalsContact CD1-CD2 3.41Å; I1610-W1643 HydrophobicContact CD1-CE3 3.65Å; I1610-W1643 HydrophobicContact CD1-CG 3.8Å; I1610-W1643 HydrophobicContact CD1-CH2 4.11Å; I1610-W1643 HydrophobicContact CD1-CZ2 3.93Å; I1610-W1643 HydrophobicContact CD1-CZ3 4Å; I1610-W1643 HydrophobicContact CG1-CD2 3.8Å; I1610-W1643 VanDerWaalsContact CG1-CE2 3.43Å; I1610-W1643 HydrophobicContact CG1-CE3 4.41Å; I1610-W1643 HydrophobicContact CG1-CG 4.11Å; I1610-W1643 HydrophobicContact CG1-CH2 4.29Å; I1610-W1643 HydrophobicContact CG1-CZ2 3.69Å; I1610-W1643 HydrophobicContact CG2-CH2 4.02Å; I1610-W1643 HydrophobicContact CG2-CZ2 3.89Å |
| 1611 | T | 72.7 | Confident | 73.9 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.117 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -20.6 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | K1590 C1592 E1609 R1626 | K1590-T1611 HydrophobicContact CB-CG2 4.24Å; K1590-T1611 WeakPolarHBondContact CB-O 3.29Å; K1590-T1611 VanDerWaalsContact O-CA 3.31Å; K1590-T1611 WeakPolarHBondContact O-CA 3.48Å; K1590-T1611 WeakPolarHBondContact O-CG2 3.37Å; C1592-T1611 VanDerWaalsContact SG-C 3.52Å; E1609-T1611 PolarHBondContact O-N 3.19Å; T1611-R1626 PolarHBondContact N-O 2.03Å; T1611-R1626 PolarHBondContact OG1-O 2.85Å; T1611-R1626 VanDerWaalsContact OG1-O 3.12Å |
| 1612 | E | 79.4 | Confident | 75.5 | Confident | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 131.4 | -176.8 | 179 | 177.9 | -135.2 | 0 | 0 | 108.6 | T1565 C1592 I1614 G1625 R1626 | T1565-E1612 HydrophobicContact CG2-CG 4.4Å; C1592-E1612 PolarHBondContact SG-N 3.28Å; E1612-I1614 HydrophobicContact CG-CG1 4.21Å; E1612-G1625 CarbonylContact O-C 3.55Å; E1612-G1625 WeakPolarHBondContact O-CA 3.49Å; E1612-R1626 HydrophobicContact CB-CB 4.39Å; E1612-R1626 PolarHBondContact O-N 3.14Å; E1612-R1626 WeakPolarHBondContact OE2-CD 3.04Å; E1612-R1626 IonicContact OE2-CZ 3.96Å; E1612-R1626 IonicContact OE2-NH1 3.03Å; E1612-R1626 PolarHBondContact OE2-NH1 2.67Å |
| 1613 | I | 86.2 | Confident | 77 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.2 | 162.4 | -58.4 | -55.6 | 0 | 0 | 0 | 106.2 | L1567 F1574 C1576 C1592 M1606 I1610 I1623 W1643 S1664 | L1567-I1613 HydrophobicContact CD1-CG2 4.05Å; F1574-I1613 HydrophobicContact CB-CB 4.34Å; F1574-I1613 HydrophobicContact CB-CG1 4.18Å; F1574-I1613 HydrophobicContact CB-CG2 4.3Å; F1574-I1613 HydrophobicContact CD1-CG1 4.37Å; F1574-I1613 HydrophobicContact CG-CG2 4.35Å; C1576-I1613 PolarHBondContact SG-N 3.29Å; C1576-I1613 VanDerWaalsContact SG-N 3.36Å; C1592-I1613 HydrophobicContact CB-CD1 4.16Å; C1592-I1613 HydrophobicContact CB-CG1 3.85Å; M1606-I1613 HydrophobicContact CE-CD1 4.29Å; I1610-I1613 HydrophobicContact CG2-CD1 3.6Å; I1613-I1623 HydrophobicContact CD1-CG2 3.86Å; I1613-I1623 HydrophobicContact CG2-CG2 3.68Å; I1613-W1643 HydrophobicContact CD1-CH2 3.57Å; I1613-W1643 HydrophobicContact CD1-CZ2 3.96Å; I1613-S1664 WeakPolarHBondContact O-CB 3.33Å; I1613-S1664 PolarHBondContact O-OG 3.38Å; I1613-S1664 VanDerWaalsContact O-OG 3.13Å |
| 1614 | I | 84.5 | Confident | 78.4 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -44 | -174.5 | -55.5 | 160.9 | 0 | 0 | 0 | 110.6 | E1612 V1624 R1626 T1633 S1664 | E1612-I1614 HydrophobicContact CG-CG1 4.21Å; I1614-V1624 HydrophobicContact CD1-CG1 4.16Å; I1614-V1624 PolarHBondContact N-O 3.47Å; I1614-R1626 HydrophobicContact CD1-CB 4.49Å; I1614-R1626 HydrophobicContact CD1-CG 3.64Å; I1614-R1626 HydrophobicContact CG1-CG 4.38Å; I1614-T1633 HydrophobicContact CD1-CG2 4.44Å; I1614-S1664 PolarHBondContact O-N 3.04Å; I1614-S1664 PolarHBondContact O-OG 2.68Å; I1614-S1664 VanDerWaalsContact O-OG 3.06Å |
| 1615 | M | 88.2 | Confident | 79.4 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 159.7 | -173.4 | 59.7 | -176.1 | 82.3 | 0 | 0 | 112.2 | L1617 V1624 L1655 I1661 I1662 | M1615-L1617 HydrophobicContact SD-CD2 4.2Å; M1615-V1624 HydrophobicContact CG-CB 3.53Å; M1615-V1624 HydrophobicContact CG-CG1 4.32Å; M1615-V1624 HydrophobicContact CG-CG2 3.55Å; M1615-V1624 PolarHBondContact N-O 3.36Å; M1615-V1624 PolarHBondContact O-N 3.46Å; M1615-V1624 HydrophobicContact SD-CB 4.35Å; M1615-V1624 HydrophobicContact SD-CG2 4.03Å; M1615-L1655 HydrophobicContact SD-CD2 3.68Å; M1615-I1661 HydrophobicContact CB-CG2 4.45Å; M1615-I1661 HydrophobicContact SD-CG2 4.35Å; M1615-I1662 CarbonylContact C-O 3.48Å; M1615-I1662 WeakPolarHBondContact CA-O 3.28Å; M1615-I1662 WeakPolarHBondContact CB-O 3.32Å |
| 1616 | L | 88.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.7 | 172.5 | 177.2 | 72.9 | 0 | 0 | 0 | 108.7 | L1567 T1569 F1574 I1623 M1639 I1662 | L1567-L1616 HydrophobicContact CD1-CB 4.05Å; L1567-L1616 HydrophobicContact CD2-CB 3.88Å; L1567-L1616 HydrophobicContact CD2-CD2 4.35Å; T1569-L1616 HydrophobicContact CG2-CD2 3.63Å; F1574-L1616 HydrophobicContact CE2-CD2 4.38Å; L1616-I1623 HydrophobicContact CD1-CG1 3.72Å; L1616-M1639 HydrophobicContact CD1-SD 4.27Å; L1616-I1662 HydrophobicContact CB-CB 4.42Å; L1616-I1662 PolarHBondContact N-O 3.48Å; L1616-I1662 PolarHBondContact O-N 2.87Å |
| 1617 | L | 86.8 | Confident | 80 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.5 | 179.5 | -56.4 | 179.3 | 0 | 0 | 0 | 109.5 | M1615 N1621 I1622 V1624 M1654 L1655 S1658 I1661 | M1615-L1617 HydrophobicContact SD-CD2 4.2Å; L1617-N1621 VanDerWaalsContact O-CA 3.28Å; L1617-N1621 WeakPolarHBondContact O-CA 3.47Å; L1617-N1621 PolarHBondContact O-N 3.11Å; L1617-I1622 HydrophobicContact CB-CB 4.22Å; L1617-I1622 HydrophobicContact CD1-CB 4.34Å; L1617-I1622 HydrophobicContact CD1-CG2 4.43Å; L1617-I1622 PolarHBondContact N-O 2.87Å; L1617-I1622 PolarHBondContact O-N 3.47Å; L1617-I1622 VanDerWaalsContact O-N 3.15Å; L1617-V1624 HydrophobicContact CD1-CG2 4.17Å; L1617-V1624 HydrophobicContact CG-CG2 4.35Å; L1617-M1654 HydrophobicContact CD1-CB 4.01Å; L1617-L1655 HydrophobicContact CD2-CD2 3.81Å; L1617-S1658 WeakPolarHBondContact CA-OG 3.16Å; L1617-S1658 WeakPolarHBondContact CB-OG 2.92Å; L1617-I1661 HydrophobicContact CD2-CB 4.38Å; L1617-I1661 HydrophobicContact CD2-CG1 3.87Å; L1617-I1661 HydrophobicContact CD2-CG2 4.02Å |
| 1618 | K | 80.5 | Confident | 79.8 | Confident | 35 Ų | 35 | 35.8 Ų | 35.8 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145 | 176.5 | -79.9 | -104.6 | -174.4 | -178.6 | 0 | 110.3 | E1571 N1621 S1658 S1659 E1660 | E1571-K1618 IonicContact OE2-NZ 3.27Å; E1571-K1618 PolarHBondContact OE2-NZ 3.12Å; K1618-N1621 VanDerWaalsContact CD-OD1 3.28Å; K1618-N1621 WeakPolarHBondContact CD-OD1 3.34Å; K1618-N1621 WeakPolarHBondContact CE-OD1 3.49Å; K1618-N1621 PolarHBondContact NZ-OD1 3.48Å; K1618-S1658 PolarHBondContact N-OG 3.45Å; K1618-S1658 PolarHBondContact O-OG 3.36Å; K1618-S1659 PolarHBondContact O-N 2.86Å; K1618-S1659 VanDerWaalsContact O-N 3.14Å; K1618-S1659 PolarHBondContact O-OG 2.86Å; K1618-E1660 HydrophobicContact CB-CB 4.03Å; K1618-E1660 PolarHBondContact N-O 3.15Å; K1618-E1660 PolarHBondContact O-N 3.34Å |
| 1619 | P | 75.3 | Confident | 79.6 | Confident | 96 Ų | 96 | 37.4 Ų | 37.4 | 62% | 0.623 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.3 | -3.3 | 10.9 | 36.5 | -35.5 | 0 | 0 | 0 | 114.5 | N1621 S1659 | P1619-N1621 PolarHBondContact O-N 2.96Å; P1619-N1621 VanDerWaalsContact O-N 3.14Å; P1619-S1659 WeakPolarHBondContact CD-OG 3.42Å |
| 1620 | S | 80.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 38 Ų | 38 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.5 | -175.1 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | I1622 | S1620-I1622 PolarHBondContact O-N 2.88Š|
| 1621 | N | 85.4 | Confident | 78.2 | Confident | 49 Ų | 49 | 43.1 Ų | 43.1 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 40.7 | -178.6 | -67.2 | -31.2 | 0 | 0 | 0 | 112.4 | L1617 K1618 P1619 M1639 | L1617-N1621 VanDerWaalsContact O-CA 3.28Å; L1617-N1621 WeakPolarHBondContact O-CA 3.47Å; L1617-N1621 PolarHBondContact O-N 3.11Å; K1618-N1621 VanDerWaalsContact CD-OD1 3.28Å; K1618-N1621 WeakPolarHBondContact CD-OD1 3.34Å; K1618-N1621 WeakPolarHBondContact CE-OD1 3.49Å; K1618-N1621 PolarHBondContact NZ-OD1 3.48Å; P1619-N1621 PolarHBondContact O-N 2.96Å; P1619-N1621 VanDerWaalsContact O-N 3.14Å; N1621-M1639 HydrophobicContact CB-CG 4.42Å; N1621-M1639 HydrophobicContact CB-SD 3.8Å |
| 1622 | I | 88.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.8 | 177.4 | -57.3 | 178.1 | 0 | 0 | 0 | 108.5 | L1617 S1620 I1635 S1636 E1637 M1654 | L1617-I1622 HydrophobicContact CB-CB 4.22Å; L1617-I1622 HydrophobicContact CD1-CB 4.34Å; L1617-I1622 HydrophobicContact CD1-CG2 4.43Å; L1617-I1622 PolarHBondContact N-O 2.87Å; L1617-I1622 PolarHBondContact O-N 3.47Å; L1617-I1622 VanDerWaalsContact O-N 3.15Å; S1620-I1622 PolarHBondContact O-N 2.88Å; I1622-I1635 HydrophobicContact CG2-CB 4.19Å; I1622-S1636 WeakPolarHBondContact CA-O 3.1Å; I1622-E1637 HydrophobicContact CD1-CG 4.19Å; I1622-E1637 HydrophobicContact CG1-CG 4.21Å; I1622-E1637 HydrophobicContact CG2-CG 4.41Å; I1622-M1654 HydrophobicContact CD1-CE 3.49Å; I1622-M1654 VanDerWaalsContact CD1-CE 3.49Å; I1622-M1654 HydrophobicContact CG2-CE 4.21Å |
| 1623 | I | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.7 | 178.7 | -54.5 | 175.1 | 0 | 0 | 0 | 108.4 | F1574 M1606 I1613 L1616 I1635 S1636 M1639 W1643 | F1574-I1623 HydrophobicContact CD1-CD1 4.43Å; F1574-I1623 HydrophobicContact CE1-CD1 3.38Å; F1574-I1623 HydrophobicContact CE1-CG1 4.36Å; F1574-I1623 HydrophobicContact CZ-CD1 3.52Å; F1574-I1623 HydrophobicContact CZ-CG1 4.17Å; M1606-I1623 HydrophobicContact CE-CD1 3.34Å; M1606-I1623 HydrophobicContact CE-CG2 4.36Å; I1613-I1623 HydrophobicContact CD1-CG2 3.86Å; I1613-I1623 HydrophobicContact CG2-CG2 3.68Å; L1616-I1623 HydrophobicContact CD1-CG1 3.72Å; I1623-I1635 CarbonylContact O-C 3.49Å; I1623-I1635 VanDerWaalsContact O-CA 3.26Å; I1623-I1635 WeakPolarHBondContact O-CA 3.46Å; I1623-S1636 PolarHBondContact N-O 3.35Å; I1623-S1636 PolarHBondContact O-N 3.29Å; I1623-M1639 HydrophobicContact CD1-CB 4.34Å; I1623-M1639 HydrophobicContact CD1-SD 3.8Å; I1623-M1639 HydrophobicContact CG1-SD 3.97Å; I1623-W1643 HydrophobicContact CB-CH2 4.31Å; I1623-W1643 HydrophobicContact CG2-CH2 3.75Å; I1623-W1643 HydrophobicContact CG2-CZ3 4.41Å |
| 1624 | V | 88.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.4 | 173.4 | -171 | 0 | 0 | 0 | 0 | 108.4 | I1614 M1615 L1617 T1633 L1634 I1635 L1651 | I1614-V1624 HydrophobicContact CD1-CG1 4.16Å; I1614-V1624 PolarHBondContact N-O 3.47Å; M1615-V1624 HydrophobicContact CG-CB 3.53Å; M1615-V1624 HydrophobicContact CG-CG1 4.32Å; M1615-V1624 HydrophobicContact CG-CG2 3.55Å; M1615-V1624 PolarHBondContact N-O 3.36Å; M1615-V1624 PolarHBondContact O-N 3.46Å; M1615-V1624 HydrophobicContact SD-CB 4.35Å; M1615-V1624 HydrophobicContact SD-CG2 4.03Å; L1617-V1624 HydrophobicContact CD1-CG2 4.17Å; L1617-V1624 HydrophobicContact CG-CG2 4.35Å; V1624-T1633 HydrophobicContact CG1-CG2 3.38Å; V1624-L1634 CarbonylContact C-O 3.53Å; V1624-L1634 WeakPolarHBondContact CA-O 3.46Å; V1624-I1635 HydrophobicContact CG1-CG2 4.37Å; V1624-I1635 HydrophobicContact CG2-CG2 4.15Å; V1624-L1651 HydrophobicContact CG1-CD1 3.88Å; V1624-L1651 HydrophobicContact CG2-CD1 3.91Å |
| 1625 | G | 87.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1612 T1633 L1634 | E1612-G1625 CarbonylContact O-C 3.55Å; E1612-G1625 WeakPolarHBondContact O-CA 3.49Å; G1625-T1633 WeakPolarHBondContact O-CA 3.22Å; G1625-L1634 PolarHBondContact N-O 2.81Å; G1625-L1634 PolarHBondContact O-N 2.94Å |
| 1626 | R | 82.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 41 Ų | 41 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.4 | 177.6 | -88.1 | 171.9 | -175.4 | 153.5 | 1 | 111.7 | I1610 T1611 E1612 I1614 S1632 | I1610-R1626 WeakPolarHBondContact CA-O 3.45Å; T1611-R1626 PolarHBondContact N-O 2.03Å; T1611-R1626 PolarHBondContact OG1-O 2.85Å; T1611-R1626 VanDerWaalsContact OG1-O 3.12Å; E1612-R1626 HydrophobicContact CB-CB 4.39Å; E1612-R1626 PolarHBondContact O-N 3.14Å; E1612-R1626 WeakPolarHBondContact OE2-CD 3.04Å; E1612-R1626 IonicContact OE2-CZ 3.96Å; E1612-R1626 IonicContact OE2-NH1 3.03Å; E1612-R1626 PolarHBondContact OE2-NH1 2.67Å; I1614-R1626 HydrophobicContact CD1-CB 4.49Å; I1614-R1626 HydrophobicContact CD1-CG 3.64Å; I1614-R1626 HydrophobicContact CG1-CG 4.38Å; R1626-S1632 WeakPolarHBondContact CA-O 3.28Å |
| 1627 | N | 73.6 | Confident | 78 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 160.7 | 174.4 | 70.9 | 4.2 | 0 | 0 | 0 | 116 | E1609 N1630 N1631 S1632 L1634 | E1609-N1627 HydrophobicContact CB-CB 4.34Å; E1609-N1627 WeakPolarHBondContact O-CA 3.5Å; E1609-N1627 WeakPolarHBondContact O-CB 3.09Å; N1627-N1630 PolarHBondContact OD1-N 2.82Å; N1627-N1631 PolarHBondContact O-N 2.9Å; N1627-N1631 PolarHBondContact OD1-N 3.17Å; N1627-N1631 VanDerWaalsContact OD1-N 3.16Å; N1627-S1632 PolarHBondContact N-O 2.89Å; N1627-S1632 PolarHBondContact OD1-N 2.86Å; N1627-S1632 PolarHBondContact OD1-OG 3.49Å; N1627-L1634 HydrophobicContact CB-CD1 3.66Å |
| 1628 | S | 61.1 | Low | 77.7 | Confident | 44 Ų | 44 | 49 Ų | 49 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.7 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | E1589 E1609 | E1589-S1628 WeakPolarHBondContact OE2-CB 3.5Å; E1589-S1628 PolarHBondContact OE2-OG 2.84Å; E1609-S1628 PolarHBondContact O-N 2.97Å |
| 1629 | H | 54.9 | Low | 77.8 | Confident | 143 Ų | 143 | 48.8 Ų | 48.8 | 66% | 0.662 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -35 | -164.2 | -84.7 | 67.7 | 0 | 0 | 0 | 114.7 | E1589 | E1589-H1629 IonicContact OE1-CE1 3.48Å; E1589-H1629 PolarHBondContact OE1-CE1 2.72Å; E1589-H1629 IonicContact OE1-ND1 3.41Å |
| 1630 | N | 53.4 | Low | 77.8 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 5.7 | -173.7 | -83.7 | -10.2 | 0 | 0 | 0 | 113.9 | N1627 S1632 | N1627-N1630 PolarHBondContact OD1-N 2.82Å; N1630-S1632 WeakPolarHBondContact CB-OG 3.37Å; N1630-S1632 PolarHBondContact O-N 3.03Å |
| 1631 | N | 56.7 | Low | 77.4 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | trans | 52.5 | 26.1 | -171 | -132.1 | 20.9 | 0 | 0 | 0 | 112.5 | N1627 T1633 | N1627-N1631 PolarHBondContact O-N 2.9Å; N1627-N1631 PolarHBondContact OD1-N 3.17Å; N1627-N1631 VanDerWaalsContact OD1-N 3.16Å; N1631-T1633 PolarHBondContact O-N 3.38Å | ||
| 1632 | S | 69.3 | Low | 77 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | trans | -69.5 | 129.5 | -175.5 | -45.4 | 0 | 0 | 0 | 0 | 108.7 | R1626 N1627 N1630 L1634 | R1626-S1632 WeakPolarHBondContact CA-O 3.28Å; N1627-S1632 PolarHBondContact N-O 2.89Å; N1627-S1632 PolarHBondContact OD1-N 2.86Å; N1627-S1632 PolarHBondContact OD1-OG 3.49Å; N1630-S1632 WeakPolarHBondContact CB-OG 3.37Å; N1630-S1632 PolarHBondContact O-N 3.03Å; S1632-L1634 VanDerWaalsContact O-CD1 3.27Å; S1632-L1634 WeakPolarHBondContact O-CD1 2.91Å; S1632-L1634 PolarHBondContact O-N 3.36Å | ||
| 1633 | T | 79.7 | Confident | 76.7 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.4 | 172.2 | -50.2 | 0 | 0 | 0 | 0 | 109 | I1614 V1624 G1625 N1631 T1646 L1651 | I1614-T1633 HydrophobicContact CD1-CG2 4.44Å; V1624-T1633 HydrophobicContact CG1-CG2 3.38Å; G1625-T1633 WeakPolarHBondContact O-CA 3.22Å; N1631-T1633 PolarHBondContact O-N 3.38Å; T1633-T1646 HydrophobicContact CG2-CG2 3.87Å; T1633-T1646 WeakPolarHBondContact O-CG2 2.89Å; T1633-T1646 PolarHBondContact O-N 3.28Å; T1633-L1651 HydrophobicContact CG2-CD2 4.05Å |
| 1634 | L | 85.5 | Confident | 76.3 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 148.6 | 175.6 | -60.1 | 116.6 | 0 | 0 | 0 | 109.4 | I1610 V1624 G1625 N1627 S1632 W1643 I1644 V1645 | I1610-L1634 HydrophobicContact CD1-CB 4.29Å; I1610-L1634 HydrophobicContact CD1-CD1 3.86Å; V1624-L1634 CarbonylContact C-O 3.53Å; V1624-L1634 WeakPolarHBondContact CA-O 3.46Å; G1625-L1634 PolarHBondContact N-O 2.81Å; G1625-L1634 PolarHBondContact O-N 2.94Å; N1627-L1634 HydrophobicContact CB-CD1 3.66Å; S1632-L1634 VanDerWaalsContact O-CD1 3.27Å; S1632-L1634 WeakPolarHBondContact O-CD1 2.91Å; S1632-L1634 PolarHBondContact O-N 3.36Å; L1634-W1643 HydrophobicContact CB-CB 4.35Å; L1634-W1643 HydrophobicContact CB-CD2 4.45Å; L1634-W1643 HydrophobicContact CB-CE3 3.62Å; L1634-W1643 HydrophobicContact CB-CZ3 4.3Å; L1634-W1643 HydrophobicContact CD2-CB 4.08Å; L1634-I1644 CarbonylContact C-O 3.59Å; L1634-I1644 WeakPolarHBondContact CA-O 3.13Å; L1634-V1645 HydrophobicContact CD2-CG2 3.67Å; L1634-V1645 HydrophobicContact CG-CG2 4.38Å |
| 1635 | I | 87.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.3 | 173.6 | 57.7 | 173.1 | 0 | 0 | 0 | 110.4 | I1622 I1623 V1624 W1643 I1644 T1646 L1651 M1654 | I1622-I1635 HydrophobicContact CG2-CB 4.19Å; I1623-I1635 CarbonylContact O-C 3.49Å; I1623-I1635 VanDerWaalsContact O-CA 3.26Å; I1623-I1635 WeakPolarHBondContact O-CA 3.46Å; V1624-I1635 HydrophobicContact CG1-CG2 4.37Å; V1624-I1635 HydrophobicContact CG2-CG2 4.15Å; I1635-W1643 WeakPolarHBondContact O-CA 3.41Å; I1635-I1644 HydrophobicContact CG1-CB 4.32Å; I1635-I1644 PolarHBondContact N-O 3.45Å; I1635-I1644 PolarHBondContact O-N 2.86Å; I1635-T1646 HydrophobicContact CG2-CG2 3.76Å; I1635-L1651 HydrophobicContact CG2-CD1 4.47Å; I1635-M1654 HydrophobicContact CD1-CE 3.7Å; I1635-M1654 HydrophobicContact CD1-SD 3.79Å; I1635-M1654 HydrophobicContact CG2-SD 4.48Å |
| 1636 | S | 88.1 | Confident | 75.3 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.4 | 172.4 | 149.9 | 0 | 0 | 0 | 0 | 108.9 | I1622 I1623 N1638 M1639 G1640 S1642 | I1622-S1636 WeakPolarHBondContact CA-O 3.1Å; I1623-S1636 PolarHBondContact N-O 3.35Å; I1623-S1636 PolarHBondContact O-N 3.29Å; S1636-N1638 VanDerWaalsContact C-N 3.31Å; S1636-N1638 PolarHBondContact OG-N 2.89Å; S1636-N1638 PolarHBondContact OG-OD1 2.89Å; S1636-M1639 PolarHBondContact OG-N 3.21Å; S1636-G1640 WeakPolarHBondContact OG-CA 3.25Å; S1636-G1640 PolarHBondContact OG-N 3.05Å; S1636-S1642 WeakPolarHBondContact CA-O 3.3Å; S1636-S1642 WeakPolarHBondContact CB-O 3.31Å |
| 1637 | E | 83.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.9 | 176.4 | -62.1 | 176.3 | 178 | 0 | 0 | 112.6 | I1622 | I1622-E1637 HydrophobicContact CD1-CG 4.19Å; I1622-E1637 HydrophobicContact CG1-CG 4.21Å; I1622-E1637 HydrophobicContact CG2-CG 4.41Å |
| 1638 | N | 82 | Confident | 75 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 34.8 | -175.6 | 63.6 | 5.3 | 0 | 0 | 0 | 113.1 | S1636 G1640 K1641 S1642 | S1636-N1638 VanDerWaalsContact C-N 3.31Å; S1636-N1638 PolarHBondContact OG-N 2.89Å; S1636-N1638 PolarHBondContact OG-OD1 2.89Å; N1638-G1640 PolarHBondContact O-N 3.31Å; N1638-K1641 HydrophobicContact CB-CB 4.43Å; N1638-K1641 PolarHBondContact OD1-N 3.17Å; N1638-S1642 PolarHBondContact ND2-N 3.42Å; N1638-S1642 PolarHBondContact ND2-OG 3.13Å; N1638-S1642 PolarHBondContact OD1-N 3.15Å; N1638-S1642 PolarHBondContact OD1-O 3.47Å; N1638-S1642 PolarHBondContact OD1-OG 3.27Å |
| 1639 | M | 81.5 | Confident | 75.8 | Confident | 31 Ų | 31 | 76.1 Ų | 76.1 | 15% | 0.153 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 40.5 | 174.9 | -62.9 | -68.8 | -80.3 | 0 | 0 | 115 | F1572 F1574 M1594 L1616 N1621 I1623 S1636 | F1572-M1639 HydrophobicContact CD1-CE 3.75Å; F1572-M1639 HydrophobicContact CD2-CE 3.8Å; F1572-M1639 HydrophobicContact CE1-CE 3.62Å; F1572-M1639 HydrophobicContact CE2-CE 3.67Å; F1572-M1639 HydrophobicContact CG-CE 3.86Å; F1572-M1639 HydrophobicContact CZ-CE 3.59Å; F1574-M1639 HydrophobicContact CZ-CE 3.92Å; M1594-M1639 HydrophobicContact SD-CB 4.32Å; M1594-M1639 HydrophobicContact SD-CE 3.71Å; L1616-M1639 HydrophobicContact CD1-SD 4.27Å; N1621-M1639 HydrophobicContact CB-CG 4.42Å; N1621-M1639 HydrophobicContact CB-SD 3.8Å; I1623-M1639 HydrophobicContact CD1-CB 4.34Å; I1623-M1639 HydrophobicContact CD1-SD 3.8Å; I1623-M1639 HydrophobicContact CG1-SD 3.97Å; S1636-M1639 PolarHBondContact OG-N 3.21Å |
| 1640 | G | 75.6 | Confident | 77 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 6% | 0.062 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -6.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1636 N1638 S1642 W1643 | S1636-G1640 WeakPolarHBondContact OG-CA 3.25Å; S1636-G1640 PolarHBondContact OG-N 3.05Å; N1638-G1640 PolarHBondContact O-N 3.31Å; G1640-S1642 VanDerWaalsContact C-N 3.31Å; G1640-S1642 PolarHBondContact O-N 2.97Å; G1640-W1643 PolarHBondContact O-NE1 3.34Å |
| 1641 | K | 72.1 | Confident | 78.2 | Confident | 183 Ų | 183 | 68 Ų | 68 | 80% | 0.796 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67.9 | -29.7 | -179.2 | -71.5 | 179.3 | 179.6 | 177.3 | 0 | 113 | N1638 | N1638-K1641 HydrophobicContact CB-CB 4.43Å; N1638-K1641 PolarHBondContact OD1-N 3.17Å |
| 1642 | S | 77.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | trans | -149.7 | 143.3 | 174.4 | 64 | 0 | 0 | 0 | 0 | 111.8 | S1636 N1638 G1640 | S1636-S1642 WeakPolarHBondContact CA-O 3.3Å; S1636-S1642 WeakPolarHBondContact CB-O 3.31Å; N1638-S1642 PolarHBondContact ND2-N 3.42Å; N1638-S1642 PolarHBondContact ND2-OG 3.13Å; N1638-S1642 PolarHBondContact OD1-N 3.15Å; N1638-S1642 PolarHBondContact OD1-O 3.47Å; N1638-S1642 PolarHBondContact OD1-OG 3.27Å; G1640-S1642 VanDerWaalsContact C-N 3.31Å; G1640-S1642 PolarHBondContact O-N 2.97Å | ||
| 1643 | W | 82 | Confident | 79.8 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | trans | -115.5 | 136.5 | -179 | -67.1 | 90.4 | 0 | 0 | 0 | 111.5 | M1606 I1610 I1613 I1623 L1634 I1635 G1640 | M1606-W1643 HydrophobicContact CB-CZ2 4.24Å; M1606-W1643 HydrophobicContact CE-CZ2 3.92Å; M1606-W1643 PolarHBondContact O-NE1 3.03Å; I1610-W1643 HydrophobicContact CB-CZ2 4.32Å; I1610-W1643 HydrophobicContact CD1-CB 4.48Å; I1610-W1643 HydrophobicContact CD1-CD2 3.41Å; I1610-W1643 VanDerWaalsContact CD1-CD2 3.41Å; I1610-W1643 HydrophobicContact CD1-CE3 3.65Å; I1610-W1643 HydrophobicContact CD1-CG 3.8Å; I1610-W1643 HydrophobicContact CD1-CH2 4.11Å; I1610-W1643 HydrophobicContact CD1-CZ2 3.93Å; I1610-W1643 HydrophobicContact CD1-CZ3 4Å; I1610-W1643 HydrophobicContact CG1-CD2 3.8Å; I1610-W1643 VanDerWaalsContact CG1-CE2 3.43Å; I1610-W1643 HydrophobicContact CG1-CE3 4.41Å; I1610-W1643 HydrophobicContact CG1-CG 4.11Å; I1610-W1643 HydrophobicContact CG1-CH2 4.29Å; I1610-W1643 HydrophobicContact CG1-CZ2 3.69Å; I1610-W1643 HydrophobicContact CG2-CH2 4.02Å; I1610-W1643 HydrophobicContact CG2-CZ2 3.89Å; I1613-W1643 HydrophobicContact CD1-CH2 3.57Å; I1613-W1643 HydrophobicContact CD1-CZ2 3.96Å; I1623-W1643 HydrophobicContact CB-CH2 4.31Å; I1623-W1643 HydrophobicContact CG2-CH2 3.75Å; I1623-W1643 HydrophobicContact CG2-CZ3 4.41Å; L1634-W1643 HydrophobicContact CB-CB 4.35Å; L1634-W1643 HydrophobicContact CB-CD2 4.45Å; L1634-W1643 HydrophobicContact CB-CE3 3.62Å; L1634-W1643 HydrophobicContact CB-CZ3 4.3Å; L1634-W1643 HydrophobicContact CD2-CB 4.08Å; I1635-W1643 WeakPolarHBondContact O-CA 3.41Å; G1640-W1643 PolarHBondContact O-NE1 3.34Å | ||
| 1644 | I | 80.3 | Confident | 79.8 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.9 | 177.7 | -53.5 | 173.1 | 0 | 0 | 0 | 107.5 | L1634 I1635 T1646 | L1634-I1644 CarbonylContact C-O 3.59Å; L1634-I1644 WeakPolarHBondContact CA-O 3.13Å; I1635-I1644 HydrophobicContact CG1-CB 4.32Å; I1635-I1644 PolarHBondContact N-O 3.45Å; I1635-I1644 PolarHBondContact O-N 2.86Å; I1644-T1646 PolarHBondContact O-N 3.26Å |
| 1645 | V | 76.7 | Confident | 79.6 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 127.8 | 173.1 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L1634 | L1634-V1645 HydrophobicContact CD2-CG2 3.67Å; L1634-V1645 HydrophobicContact CG-CG2 4.38Å |
| 1646 | T | 77.7 | Confident | 79.2 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | trans | -114.1 | 158.8 | 178.6 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | T1633 I1635 I1644 L1651 | T1633-T1646 HydrophobicContact CG2-CG2 3.87Å; T1633-T1646 WeakPolarHBondContact O-CG2 2.89Å; T1633-T1646 PolarHBondContact O-N 3.28Å; I1635-T1646 HydrophobicContact CG2-CG2 3.76Å; I1644-T1646 PolarHBondContact O-N 3.26Å; T1646-L1651 HydrophobicContact CG2-CB 4.39Å | ||
| 1647 | N | 78.4 | Confident | 78.9 | Confident | 98 Ų | 98 | 85.5 Ų | 85.5 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | trans | -103.6 | 164.8 | 171.6 | 66.7 | 21.3 | 0 | 0 | 0 | 110.9 | W1649 K1650 L1651 | N1647-W1649 PolarHBondContact O-N 3.28Å; N1647-W1649 PolarHBondContact OD1-N 2.82Å; N1647-K1650 PolarHBondContact O-N 2.85Å; N1647-K1650 WeakPolarHBondContact OD1-CB 3.1Å; N1647-K1650 PolarHBondContact OD1-N 3.04Å; N1647-L1651 PolarHBondContact O-N 2.9Å; N1647-L1651 VanDerWaalsContact O-N 3.1Å | ||
| 1648 | E | 71 | Confident | 78.8 | Confident | 167 Ų | 167 | 81.3 Ų | 81.3 | 78% | 0.78 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58 | -34.8 | -178.4 | -74.3 | -169.3 | 149.9 | 0 | 0 | 113.3 | K1652 | E1648-K1652 WeakPolarHBondContact O-CB 3.26Å; E1648-K1652 PolarHBondContact O-N 2.62Å |
| 1649 | W | 79.3 | Confident | 78.9 | Confident | 181 Ų | 181 | 83.2 Ų | 83.2 | 69% | 0.686 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.4 | -48 | -179.6 | -177.3 | 85.7 | 0 | 0 | 0 | 112.1 | N1647 L1651 K1652 N1653 | N1647-W1649 PolarHBondContact O-N 3.28Å; N1647-W1649 PolarHBondContact OD1-N 2.82Å; W1649-L1651 VanDerWaalsContact C-N 3.32Å; W1649-L1651 PolarHBondContact O-N 3.16Å; W1649-K1652 PolarHBondContact O-N 2.64Å; W1649-N1653 WeakPolarHBondContact CH2-ND2 3.47Å; W1649-N1653 WeakPolarHBondContact CZ2-ND2 3.49Å; W1649-N1653 PolarHBondContact O-N 2.94Å; W1649-N1653 VanDerWaalsContact O-N 3.09Å |
| 1650 | K | 78.5 | Confident | 79 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 36% | 0.361 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.4 | -174.2 | 175.4 | 179.6 | -175 | 0 | 110.8 | N1647 N1653 M1654 | N1647-K1650 PolarHBondContact O-N 2.85Å; N1647-K1650 WeakPolarHBondContact OD1-CB 3.1Å; N1647-K1650 PolarHBondContact OD1-N 3.04Å; K1650-N1653 PolarHBondContact O-N 2.96Å; K1650-M1654 HydrophobicContact CG-SD 4.35Å; K1650-M1654 VanDerWaalsContact O-CG 3.29Å; K1650-M1654 WeakPolarHBondContact O-CG 3.27Å; K1650-M1654 PolarHBondContact O-N 3.23Å |
| 1651 | L | 79.8 | Confident | 79.5 | Confident | 25 Ų | 25 | 89.9 Ų | 89.9 | 13% | 0.131 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.8 | -171.8 | 69.5 | 0 | 0 | 0 | 112.1 | V1624 T1633 I1635 T1646 N1647 W1649 N1653 M1654 L1655 | V1624-L1651 HydrophobicContact CG1-CD1 3.88Å; V1624-L1651 HydrophobicContact CG2-CD1 3.91Å; T1633-L1651 HydrophobicContact CG2-CD2 4.05Å; I1635-L1651 HydrophobicContact CG2-CD1 4.47Å; T1646-L1651 HydrophobicContact CG2-CB 4.39Å; N1647-L1651 PolarHBondContact O-N 2.9Å; N1647-L1651 VanDerWaalsContact O-N 3.1Å; W1649-L1651 VanDerWaalsContact C-N 3.32Å; W1649-L1651 PolarHBondContact O-N 3.16Å; L1651-N1653 PolarHBondContact O-N 3.06Å; L1651-M1654 PolarHBondContact O-N 3.03Å; L1651-L1655 HydrophobicContact CG-CD1 4.1Å; L1651-L1655 WeakPolarHBondContact O-CB 3.46Å; L1651-L1655 VanDerWaalsContact O-CG 3.29Å; L1651-L1655 WeakPolarHBondContact O-CG 3.12Å; L1651-L1655 PolarHBondContact O-N 3.48Å |
| 1652 | K | 78.9 | Confident | 80 | Confident | 153 Ų | 153 | 82.8 Ų | 82.8 | 67% | 0.665 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 174.2 | -92.4 | -175.8 | 175.9 | 176.1 | 0 | 112.5 | E1648 W1649 L1655 S1656 | E1648-K1652 WeakPolarHBondContact O-CB 3.26Å; E1648-K1652 PolarHBondContact O-N 2.62Å; W1649-K1652 PolarHBondContact O-N 2.64Å; K1652-L1655 PolarHBondContact O-N 3.46Å; K1652-S1656 PolarHBondContact O-N 3.34Å |
| 1653 | N | 79.4 | Confident | 80.2 | Confident | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.332 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.3 | -79.6 | -9.7 | 0 | 0 | 0 | 111.6 | W1649 K1650 L1651 L1655 S1656 Q1657 | W1649-N1653 WeakPolarHBondContact CH2-ND2 3.47Å; W1649-N1653 WeakPolarHBondContact CZ2-ND2 3.49Å; W1649-N1653 PolarHBondContact O-N 2.94Å; W1649-N1653 VanDerWaalsContact O-N 3.09Å; K1650-N1653 PolarHBondContact O-N 2.96Å; L1651-N1653 PolarHBondContact O-N 3.06Å; N1653-L1655 PolarHBondContact O-N 2.82Å; N1653-S1656 PolarHBondContact O-N 2.83Å; N1653-S1656 PolarHBondContact O-OG 3.13Å; N1653-Q1657 WeakPolarHBondContact O-CG 3.37Å; N1653-Q1657 PolarHBondContact O-N 2.83Å |
| 1654 | M | 81.1 | Confident | 79.9 | Confident | 25 Ų | 25 | 83.5 Ų | 83.5 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.9 | -70.7 | 177.4 | 127.3 | 0 | 0 | 112.2 | L1617 I1622 I1635 K1650 L1651 S1656 Q1657 S1658 | L1617-M1654 HydrophobicContact CD1-CB 4.01Å; I1622-M1654 HydrophobicContact CD1-CE 3.49Å; I1622-M1654 VanDerWaalsContact CD1-CE 3.49Å; I1622-M1654 HydrophobicContact CG2-CE 4.21Å; I1635-M1654 HydrophobicContact CD1-CE 3.7Å; I1635-M1654 HydrophobicContact CD1-SD 3.79Å; I1635-M1654 HydrophobicContact CG2-SD 4.48Å; K1650-M1654 HydrophobicContact CG-SD 4.35Å; K1650-M1654 VanDerWaalsContact O-CG 3.29Å; K1650-M1654 WeakPolarHBondContact O-CG 3.27Å; K1650-M1654 PolarHBondContact O-N 3.23Å; L1651-M1654 PolarHBondContact O-N 3.03Å; M1654-S1656 VanDerWaalsContact C-N 3.32Å; M1654-S1656 PolarHBondContact O-N 3.37Å; M1654-Q1657 PolarHBondContact O-N 2.89Å; M1654-S1658 PolarHBondContact O-N 2.84Å |
| 1655 | L | 80.1 | Confident | 79.3 | Confident | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.6 | -73.5 | 165.3 | 0 | 0 | 0 | 111.9 | M1615 L1617 L1651 K1652 N1653 Q1657 S1658 I1661 | M1615-L1655 HydrophobicContact SD-CD2 3.68Å; L1617-L1655 HydrophobicContact CD2-CD2 3.81Å; L1651-L1655 HydrophobicContact CG-CD1 4.1Å; L1651-L1655 WeakPolarHBondContact O-CB 3.46Å; L1651-L1655 VanDerWaalsContact O-CG 3.29Å; L1651-L1655 WeakPolarHBondContact O-CG 3.12Å; L1651-L1655 PolarHBondContact O-N 3.48Å; K1652-L1655 PolarHBondContact O-N 3.46Å; N1653-L1655 PolarHBondContact O-N 2.82Å; L1655-Q1657 VanDerWaalsContact C-N 3.27Å; L1655-Q1657 PolarHBondContact O-N 2.81Å; L1655-S1658 PolarHBondContact O-N 2.97Å; L1655-I1661 HydrophobicContact CD2-CD1 3.68Å; L1655-I1661 HydrophobicContact CD2-CG1 4.27Å; L1655-I1661 HydrophobicContact CD2-CG2 4.26Å |
| 1656 | S | 79.8 | Confident | 78.5 | Confident | 94 Ų | 94 | 83 Ų | 83 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.6 | -23.3 | 178.8 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | K1652 N1653 M1654 | K1652-S1656 PolarHBondContact O-N 3.34Å; N1653-S1656 PolarHBondContact O-N 2.83Å; N1653-S1656 PolarHBondContact O-OG 3.13Å; M1654-S1656 VanDerWaalsContact C-N 3.32Å; M1654-S1656 PolarHBondContact O-N 3.37Å |
| 1657 | Q | 81 | Confident | 77.5 | Confident | 162 Ų | 162 | 84.1 Ų | 84.1 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -93.5 | -13.1 | -179.9 | -69.6 | 177 | -5 | 0 | 0 | 113.3 | N1653 M1654 L1655 | N1653-Q1657 WeakPolarHBondContact O-CG 3.37Å; N1653-Q1657 PolarHBondContact O-N 2.83Å; M1654-Q1657 PolarHBondContact O-N 2.89Å; L1655-Q1657 VanDerWaalsContact C-N 3.27Å; L1655-Q1657 PolarHBondContact O-N 2.81Å |
| 1658 | S | 81.6 | Confident | 75.7 | Confident | 18 Ų | 18 | 84.9 Ų | 84.9 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | trans | -79.3 | 129.7 | -176.8 | -151.3 | 0 | 0 | 0 | 0 | 110.3 | L1617 K1618 M1654 L1655 E1660 | L1617-S1658 WeakPolarHBondContact CA-OG 3.16Å; L1617-S1658 WeakPolarHBondContact CB-OG 2.92Å; K1618-S1658 PolarHBondContact N-OG 3.45Å; K1618-S1658 PolarHBondContact O-OG 3.36Å; M1654-S1658 PolarHBondContact O-N 2.84Å; L1655-S1658 PolarHBondContact O-N 2.97Å; S1658-E1660 VanDerWaalsContact C-N 3.33Å; S1658-E1660 PolarHBondContact OG-O 3.14Å | ||
| 1659 | S | 83.5 | Confident | 74.4 | Confident | 102 Ų | 102 | 84.8 Ų | 84.8 | 71% | 0.713 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -76.9 | -25.3 | 175.9 | 64 | 0 | 0 | 0 | 0 | 112.2 | K1618 P1619 | K1618-S1659 PolarHBondContact O-N 2.86Å; K1618-S1659 VanDerWaalsContact O-N 3.14Å; K1618-S1659 PolarHBondContact O-OG 2.86Å; P1619-S1659 WeakPolarHBondContact CD-OG 3.42Å |
| 1660 | E | 83.8 | Confident | 72.1 | Confident | 107 Ų | 107 | 83.9 Ų | 83.9 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 135.2 | 179.7 | -179.1 | -179.2 | -163.6 | 0 | 0 | 109.2 | K1618 S1658 I1662 | K1618-E1660 HydrophobicContact CB-CB 4.03Å; K1618-E1660 PolarHBondContact N-O 3.15Å; K1618-E1660 PolarHBondContact O-N 3.34Å; S1658-E1660 VanDerWaalsContact C-N 3.33Å; S1658-E1660 PolarHBondContact OG-O 3.14Å; E1660-I1662 HydrophobicContact CG-CG1 4.1Å |
| 1661 | I | 86 | Confident | 69.7 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 36% | 0.359 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.3 | 179.9 | -58.3 | 165.9 | 0 | 0 | 0 | 107 | M1615 L1617 L1655 | M1615-I1661 HydrophobicContact CB-CG2 4.45Å; M1615-I1661 HydrophobicContact SD-CG2 4.35Å; L1617-I1661 HydrophobicContact CD2-CB 4.38Å; L1617-I1661 HydrophobicContact CD2-CG1 3.87Å; L1617-I1661 HydrophobicContact CD2-CG2 4.02Å; L1655-I1661 HydrophobicContact CD2-CD1 3.68Å; L1655-I1661 HydrophobicContact CD2-CG1 4.27Å; L1655-I1661 HydrophobicContact CD2-CG2 4.26Å |
| 1662 | I | 82.4 | Confident | 67.4 | Low | 34 Ų | 34 | 91.7 Ų | 91.7 | 17% | 0.174 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.3 | -179.8 | -54.2 | 178.2 | 0 | 0 | 0 | 106.8 | L1567 T1569 M1615 L1616 E1660 | L1567-I1662 WeakPolarHBondContact CD1-O 3.16Å; L1567-I1662 HydrophobicContact CD2-CB 4.49Å; L1567-I1662 HydrophobicContact CD2-CG2 3.92Å; L1567-I1662 HydrophobicContact CG-CG2 4.12Å; T1569-I1662 HydrophobicContact CG2-CD1 3.54Å; M1615-I1662 CarbonylContact C-O 3.48Å; M1615-I1662 WeakPolarHBondContact CA-O 3.28Å; M1615-I1662 WeakPolarHBondContact CB-O 3.32Å; L1616-I1662 HydrophobicContact CB-CB 4.42Å; L1616-I1662 PolarHBondContact N-O 3.48Å; L1616-I1662 PolarHBondContact O-N 2.87Å; E1660-I1662 HydrophobicContact CG-CG1 4.1Å |
| 1663 | N | 82.4 | Confident | 65.1 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 150.1 | 179.1 | -66.3 | -36.3 | 0 | 0 | 0 | 110.9 | ||
| 1664 | S | 76.5 | Confident | 62.8 | Low | 27 Ų | 27 | 97.2 Ų | 97.2 | 19% | 0.189 | 51% | 0.509 | C | S | . | . | trans | -68.3 | 150.4 | 165.8 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | I1566 I1613 I1614 | I1566-S1664 CarbonylContact O-C 3.59Å; I1566-S1664 VanDerWaalsContact O-CA 3.28Å; I1566-S1664 WeakPolarHBondContact O-CA 3.34Å; I1613-S1664 WeakPolarHBondContact O-CB 3.33Å; I1613-S1664 PolarHBondContact O-OG 3.38Å; I1613-S1664 VanDerWaalsContact O-OG 3.13Å; I1614-S1664 PolarHBondContact O-N 3.04Å; I1614-S1664 PolarHBondContact O-OG 2.68Å; I1614-S1664 VanDerWaalsContact O-OG 3.06Å | ||
| 1665 | Y | 67.2 | Low | 60.3 | Low | 92 Ų | 92 | 104.8 Ų | 104.8 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152 | 172.4 | 56.7 | -91.7 | 0 | 0 | 0 | 110.3 | I1566 M1568 | I1566-Y1665 HydrophobicContact CB-CE2 4.19Å; I1566-Y1665 PolarHBondContact N-O 2.75Å; I1566-Y1665 VanDerWaalsContact N-O 3.11Å; I1566-Y1665 PolarHBondContact O-N 3.35Å; M1568-Y1665 HydrophobicContact CE-CE1 3.96Å; M1568-Y1665 WeakPolarHBondContact CE-OH 3.26Å; M1568-Y1665 HydrophobicContact CG-CE1 4.27Å; M1568-Y1665 WeakPolarHBondContact CG-OH 3.42Å; M1568-Y1665 PolarHBondContact SD-OH 3.07Å |
| 1666 | D | 59.6 | Low | 58.1 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 42% | 0.417 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 143 | 177.8 | -64.9 | -43.2 | 0 | 0 | 0 | 110.3 | T1565 P1668 | T1565-D1666 VanDerWaalsContact CG2-OD1 3.26Å; T1565-D1666 WeakPolarHBondContact CG2-OD1 3.29Å; D1666-P1668 VanDerWaalsContact O-CD 3.31Å; D1666-P1668 WeakPolarHBondContact O-CD 3.49Å |
| 1667 | T | 56.2 | Low | 56 | Low | 39 Ų | 39 | 106.2 Ų | 106.2 | 24% | 0.239 | 56% | 0.555 | C | S | . | * | trans | -76.7 | 118 | 178.4 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | K1564 I1566 W1669 | K1564-T1667 PolarHBondContact O-OG1 3.1Å; I1566-T1667 HydrophobicContact CD1-CG2 3.39Å; I1566-T1667 HydrophobicContact CG1-CG2 3.93Å; T1667-W1669 PolarHBondContact O-N 2.97Å | ||
| 1668 | P | 42.3 | Very low | 54.1 | Low | 114 Ų | 114 | 105.7 Ų | 105.7 | 74% | 0.74 | 56% | 0.558 | S | S | * | * | trans | -83.1 | 83.4 | -179.2 | 32.6 | -32 | 0 | 0 | 0 | 110.4 | D1666 | D1666-P1668 VanDerWaalsContact O-CD 3.31Å; D1666-P1668 WeakPolarHBondContact O-CD 3.49Å | ||
| 1669 | W | 42.6 | Very low | 52.2 | Low | 166 Ų | 166 | 111.1 Ų | 111.1 | 63% | 0.629 | 59% | 0.586 | S | S | * | * | trans | -108.4 | 74.2 | 165.3 | -65.4 | 84.8 | 0 | 0 | 0 | 109.5 | T1667 Y1696 | T1667-W1669 PolarHBondContact O-N 2.97Å; W1669-Y1696 AromaticContact CH2-CD2 3.64Å; W1669-Y1696 HydrophobicContact CH2-CD2 3.64Å; W1669-Y1696 HydrophobicContact CH2-CE2 4.48Å; W1669-Y1696 HydrophobicContact CH2-CG 4.43Å; W1669-Y1696 AromaticContact CZ3-CD2 3.52Å; W1669-Y1696 HydrophobicContact CZ3-CD2 3.52Å; W1669-Y1696 AromaticContact CZ3-CE2 4Å; W1669-Y1696 HydrophobicContact CZ3-CE2 4Å | ||
| 1670 | F | 31 | Very low | 50 | Low | 162 Ų | 162 | 113.1 Ų | 113.1 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | trans | -99.7 | 105.8 | 166.5 | -92.7 | -82.6 | 0 | 0 | 0 | 110.5 | ||||
| 1671 | N | 29.1 | Very low | 48.1 | Very low | 140 Ų | 140 | 111.1 Ų | 111.1 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | trans | 54.5 | 74.9 | 145.2 | -123.5 | 4.9 | 0 | 0 | 0 | 118.1 | Q1673 | N1671-Q1673 PolarHBondContact O-N 3.41Š| ||
| 1672 | V | 30.3 | Very low | 46.3 | Very low | 131 Ų | 131 | 112 Ų | 112 | 79% | 0.794 | 58% | 0.582 | S | S | * | * | trans | -83.1 | 98.2 | 160.3 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | N1674 | V1672-N1674 PolarHBondContact O-N 2.92Š| ||
| 1673 | Q | 30.6 | Very low | 44.7 | Very low | 166 Ų | 166 | 115 Ų | 115 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -53.5 | 119.6 | 172 | -73.1 | -175.2 | -22.7 | 0 | 0 | 110.6 | N1671 K1675 | N1671-Q1673 PolarHBondContact O-N 3.41Å; Q1673-K1675 PolarHBondContact O-N 2.94Å | ||
| 1674 | N | 32.4 | Very low | 43 | Very low | 165 Ų | 165 | 116.1 Ų | 116.1 | 88% | 0.882 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 61.8 | 30.5 | 151.9 | -74.8 | -7.7 | 0 | 0 | 0 | 121.1 | V1672 | V1672-N1674 PolarHBondContact O-N 2.92Š|
| 1675 | K | 27.8 | Very low | 41.9 | Very low | 184 Ų | 184 | 116.3 Ų | 116.3 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | trans | -141.1 | 101.9 | 157.8 | -75.8 | -168.1 | 178.8 | 178.5 | 0 | 113.1 | Q1673 S1677 | Q1673-K1675 PolarHBondContact O-N 2.94Å; K1675-S1677 PolarHBondContact O-N 3.48Å | ||
| 1676 | S | 33.7 | Very low | 40.9 | Very low | 127 Ų | 127 | 116 Ų | 116 | 89% | 0.888 | 62% | 0.616 | S | S | * | * | trans | -80.5 | 100.4 | 157.4 | 54.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1677 | S | 35.7 | Very low | 40.2 | Very low | 49 Ų | 49 | 117.2 Ų | 117.2 | 34% | 0.343 | 63% | 0.631 | S | S | . | * | trans | -118.3 | 122.7 | 165.9 | 65.9 | 0 | 0 | 0 | 0 | 109 | K1675 D1679 | K1675-S1677 PolarHBondContact O-N 3.48Å; S1677-D1679 PolarHBondContact O-N 3.33Å | ||
| 1678 | D | 41.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -7.4 | 175.5 | -72.2 | -34.9 | 0 | 0 | 0 | 113.3 | F1680 T1681 | D1678-F1680 PolarHBondContact O-N 3.46Å; D1678-F1680 VanDerWaalsContact O-N 3.15Å; D1678-T1681 VanDerWaalsContact O-CG2 3.26Å; D1678-T1681 WeakPolarHBondContact O-CG2 3.28Å; D1678-T1681 PolarHBondContact O-OG1 3.05Å |
| 1679 | D | 41.3 | Very low | 40.4 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9.1 | 179.7 | -66.6 | -29.1 | 0 | 0 | 0 | 115 | S1677 T1681 | S1677-D1679 PolarHBondContact O-N 3.33Å; D1679-T1681 PolarHBondContact O-N 3.01Å; D1679-T1681 VanDerWaalsContact O-N 3.1Å |
| 1680 | F | 38.7 | Very low | 41.3 | Very low | 143 Ų | 143 | 114.7 Ų | 114.7 | 63% | 0.627 | 65% | 0.647 | S | S | * | * | trans | -83 | 34.7 | 175.6 | -80.1 | -82.9 | 0 | 0 | 0 | 113.3 | D1678 | D1678-F1680 PolarHBondContact O-N 3.46Å; D1678-F1680 VanDerWaalsContact O-N 3.15Å | ||
| 1681 | T | 44.1 | Very low | 42.9 | Very low | 66 Ų | 66 | 108.7 Ų | 108.7 | 41% | 0.405 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -99.4 | 113.1 | -177.4 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | D1678 D1679 S1683 | D1678-T1681 VanDerWaalsContact O-CG2 3.26Å; D1678-T1681 WeakPolarHBondContact O-CG2 3.28Å; D1678-T1681 PolarHBondContact O-OG1 3.05Å; D1679-T1681 PolarHBondContact O-N 3.01Å; D1679-T1681 VanDerWaalsContact O-N 3.1Å; T1681-S1683 VanDerWaalsContact C-N 3.25Å; T1681-S1683 PolarHBondContact O-N 3.15Å |
| 1682 | I | 47.2 | Very low | 44.6 | Very low | 89 Ų | 89 | 102.6 Ų | 102.6 | 46% | 0.456 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 65.9 | -46.9 | 159.5 | -52.5 | 174.1 | 0 | 0 | 0 | 116.3 | L1684 C1685 | I1682-L1684 PolarHBondContact O-N 2.93Å; I1682-C1685 PolarHBondContact O-N 3.1Å |
| 1683 | S | 49.2 | Very low | 46.2 | Very low | 95 Ų | 95 | 96.9 Ų | 96.9 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -34.1 | -172.3 | 62.1 | 0 | 0 | 0 | 0 | 114 | T1681 | T1681-S1683 VanDerWaalsContact C-N 3.25Å; T1681-S1683 PolarHBondContact O-N 3.15Å |
| 1684 | L | 47.5 | Very low | 47.6 | Very low | 122 Ų | 122 | 92.2 Ų | 92.2 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.5 | 178.3 | -90.3 | 137.3 | 0 | 0 | 0 | 114.1 | I1682 N1686 | I1682-L1684 PolarHBondContact O-N 2.93Å; L1684-N1686 VanDerWaalsContact C-N 3.31Å; L1684-N1686 PolarHBondContact O-N 2.9Å |
| 1685 | C | 51.8 | Low | 49 | Very low | 31 Ų | 31 | 84.8 Ų | 84.8 | 21% | 0.209 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -76.4 | -15.5 | 178.9 | -84.8 | 0 | 0 | 0 | 0 | 113.5 | I1682 S1687 N1693 C1695 | I1682-C1685 PolarHBondContact O-N 3.1Å; C1685-S1687 PolarHBondContact O-N 3.33Å; C1685-S1687 VanDerWaalsContact O-N 3.07Å; C1685-N1693 PolarHBondContact O-OD1 3.24Å; C1685-C1695 WeakPolarHBondContact CB-SG 3.32Å; C1685-C1695 VanDerWaalsContact SG-CA 3.59Å; C1685-C1695 WeakPolarHBondContact SG-CB 3.47Å; C1685-C1695 CovalentContact SG-SG 2.04Å; C1685-C1695 PolarHBondContact SG-SG 3.47Å |
| 1686 | N | 47.9 | Very low | 50.3 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -76 | 12.8 | -173.3 | -86.6 | 6.3 | 0 | 0 | 0 | 114.9 | L1684 D1703 | L1684-N1686 VanDerWaalsContact C-N 3.31Å; L1684-N1686 PolarHBondContact O-N 2.9Å; N1686-D1703 PolarHBondContact ND2-OD1 3.45Å |
| 1687 | S | 44.9 | Very low | 51.4 | Low | 105 Ų | 105 | 79.8 Ų | 79.8 | 73% | 0.734 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -90.5 | -7 | -168.5 | 65 | 0 | 0 | 0 | 0 | 116.6 | C1685 | C1685-S1687 PolarHBondContact O-N 3.33Å; C1685-S1687 VanDerWaalsContact O-N 3.07Å |
| 1688 | T | 47.6 | Very low | 52.7 | Low | 81 Ų | 81 | 77.5 Ų | 77.5 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -108.2 | 116.9 | 176.7 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | D1690 | T1688-D1690 PolarHBondContact O-N 2.93Š|
| 1689 | G | 54.3 | Low | 53.7 | Low | 95 Ų | 95 | 70.4 Ų | 70.4 | 98% | 0.979 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -63.4 | 22.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1690 | D | 60.4 | Low | 54.7 | Low | 89 Ų | 89 | 64.4 Ų | 64.4 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -89.6 | 146.7 | 168.7 | -93.4 | -40.3 | 0 | 0 | 0 | 110.5 | T1688 W1692 | T1688-D1690 PolarHBondContact O-N 2.93Å; D1690-W1692 PolarHBondContact O-N 3.19Å |
| 1691 | P | 66.4 | Low | 55.8 | Low | 37 Ų | 37 | 60.5 Ų | 60.5 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -73.4 | -11.1 | -175.6 | 30.5 | -36.1 | 0 | 0 | 0 | 113.6 | W1701 G1702 | P1691-W1701 HydrophobicContact CB-CD2 4.02Å; P1691-W1701 HydrophobicContact CB-CE3 3.71Å; P1691-W1701 HydrophobicContact CB-CH2 3.45Å; P1691-W1701 VanDerWaalsContact CB-CH2 3.45Å; P1691-W1701 HydrophobicContact CB-CZ2 3.71Å; P1691-W1701 HydrophobicContact CB-CZ3 3.44Å; P1691-W1701 VanDerWaalsContact CB-CZ3 3.44Å; P1691-W1701 HydrophobicContact CG-CE3 4.14Å; P1691-W1701 HydrophobicContact CG-CH2 3.48Å; P1691-W1701 VanDerWaalsContact CG-CH2 3.48Å; P1691-W1701 HydrophobicContact CG-CZ2 4.22Å; P1691-W1701 HydrophobicContact CG-CZ3 3.41Å; P1691-W1701 VanDerWaalsContact CG-CZ3 3.41Å; P1691-W1701 CarbonylContact O-C 3.28Å; P1691-W1701 WeakPolarHBondContact O-CA 3.16Å; P1691-G1702 PolarHBondContact O-N 3.09Å |
| 1692 | W | 63.7 | Low | 56.9 | Low | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.2 | 175.7 | -65.3 | 109.2 | 0 | 0 | 0 | 111.4 | T1569 I1573 V1595 D1690 F1694 I1699 L1700 W1701 I1706 | T1569-W1692 PolarHBondContact O-NE1 3.26Å; I1573-W1692 HydrophobicContact CB-CD2 4.45Å; I1573-W1692 HydrophobicContact CB-CH2 4.42Å; I1573-W1692 HydrophobicContact CB-CZ2 4.12Å; I1573-W1692 HydrophobicContact CD1-CB 3.99Å; I1573-W1692 HydrophobicContact CD1-CD2 3.25Å; I1573-W1692 HydrophobicContact CD1-CE3 3.39Å; I1573-W1692 HydrophobicContact CD1-CG 3.56Å; I1573-W1692 HydrophobicContact CD1-CH2 4.47Å; I1573-W1692 HydrophobicContact CD1-CZ2 4.38Å; I1573-W1692 HydrophobicContact CD1-CZ3 3.98Å; I1573-W1692 HydrophobicContact CG1-CD2 3.82Å; I1573-W1692 HydrophobicContact CG1-CE3 4.32Å; I1573-W1692 HydrophobicContact CG1-CG 4.06Å; I1573-W1692 HydrophobicContact CG1-CZ2 4.34Å; V1595-W1692 HydrophobicContact CB-CH2 4.17Å; V1595-W1692 HydrophobicContact CG1-CH2 3.69Å; V1595-W1692 HydrophobicContact CG1-CZ3 4.36Å; D1690-W1692 PolarHBondContact O-N 3.19Å; W1692-F1694 HydrophobicContact CB-CE2 4.27Å; W1692-I1699 HydrophobicContact CE3-CG2 3.96Å; W1692-I1699 HydrophobicContact CZ3-CG2 4.43Å; W1692-L1700 CarbonylContact C-O 3.55Å; W1692-L1700 WeakPolarHBondContact CA-O 3.42Å; W1692-W1701 AromaticContact CD1-CE3 3.91Å; W1692-W1701 AromaticContact CD1-CZ3 3.66Å; W1692-W1701 HydrophobicContact CD2-CD2 4.49Å; W1692-W1701 AromaticContact CD2-CE3 3.35Å; W1692-W1701 HydrophobicContact CD2-CE3 3.35Å; W1692-W1701 AromaticContact CD2-CZ3 3.86Å; W1692-W1701 HydrophobicContact CD2-CZ3 3.86Å; W1692-W1701 AromaticContact CE2-CE3 3.23Å; W1692-W1701 AromaticContact CE2-CZ3 3.35Å; W1692-W1701 HydrophobicContact CE3-CB 4.08Å; W1692-W1701 AromaticContact CE3-CE3 3.77Å; W1692-W1701 HydrophobicContact CE3-CE3 3.77Å; W1692-W1701 AromaticContact CG-CE3 3.8Å; W1692-W1701 HydrophobicContact CG-CE3 3.8Å; W1692-W1701 HydrophobicContact CG-CZ3 4.04Å; W1692-W1701 AromaticContact CH2-CE3 3.94Å; W1692-W1701 HydrophobicContact CH2-CE3 3.94Å; W1692-W1701 AromaticContact CZ2-CE3 3.54Å; W1692-W1701 HydrophobicContact CZ2-CE3 3.54Å; W1692-W1701 AromaticContact CZ2-CZ3 3.76Å; W1692-W1701 HydrophobicContact CZ2-CZ3 3.76Å; W1692-W1701 HydrophobicContact CZ3-CB 4.02Å; W1692-W1701 HydrophobicContact CZ3-CE3 4.08Å; W1692-W1701 AromaticContact NE1-CE3 3.64Å; W1692-W1701 AromaticContact NE1-CZ3 3.27Å; W1692-W1701 VanDerWaalsContact NE1-CZ3 3.27Å; W1692-I1706 HydrophobicContact CZ3-CB 4.4Å; W1692-I1706 HydrophobicContact CZ3-CG1 3.94Å; W1692-I1706 HydrophobicContact CZ3-CG2 4.24Å |
| 1693 | N | 64.9 | Low | 57.6 | Low | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.4 | 177.4 | -70.8 | -34 | 0 | 0 | 0 | 111.1 | C1685 L1700 G1702 | C1685-N1693 PolarHBondContact O-OD1 3.24Å; N1693-L1700 HydrophobicContact CB-CB 4.25Å; N1693-L1700 HydrophobicContact CB-CD1 4.5Å; N1693-L1700 PolarHBondContact N-O 3.47Å; N1693-L1700 PolarHBondContact O-N 2.93Å; N1693-G1702 PolarHBondContact ND2-O 3.32Å |
| 1694 | F | 59.9 | Low | 58 | Low | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112 | 179.2 | -74.8 | -100.4 | 0 | 0 | 0 | 110.3 | I1566 M1568 I1573 W1692 I1699 W1709 | I1566-F1694 HydrophobicContact CD1-CD1 4.16Å; I1566-F1694 HydrophobicContact CD1-CE1 3.51Å; I1566-F1694 HydrophobicContact CD1-CZ 4.21Å; I1566-F1694 HydrophobicContact CG2-CE1 4.23Å; I1566-F1694 HydrophobicContact CG2-CZ 3.88Å; M1568-F1694 HydrophobicContact CG-CE2 4.22Å; M1568-F1694 HydrophobicContact CG-CZ 4.35Å; M1568-F1694 HydrophobicContact SD-CD2 4Å; M1568-F1694 HydrophobicContact SD-CE2 3.19Å; M1568-F1694 WeakPolarHBondContact SD-CE2 3.32Å; M1568-F1694 HydrophobicContact SD-CZ 3.84Å; I1573-F1694 HydrophobicContact CD1-CE1 4.5Å; I1573-F1694 HydrophobicContact CD1-CE2 3.75Å; I1573-F1694 HydrophobicContact CD1-CZ 3.43Å; I1573-F1694 VanDerWaalsContact CD1-CZ 3.43Å; I1573-F1694 HydrophobicContact CG1-CZ 4.35Å; W1692-F1694 HydrophobicContact CB-CE2 4.27Å; F1694-I1699 HydrophobicContact CD1-CB 4.49Å; F1694-I1699 HydrophobicContact CD1-CD1 4.29Å; F1694-I1699 HydrophobicContact CD1-CG1 3.78Å; F1694-I1699 HydrophobicContact CD1-CG2 4.3Å; F1694-I1699 HydrophobicContact CD2-CG2 4.46Å; F1694-I1699 HydrophobicContact CE1-CB 4.28Å; F1694-I1699 HydrophobicContact CE1-CD1 3.49Å; F1694-I1699 VanDerWaalsContact CE1-CD1 3.49Å; F1694-I1699 HydrophobicContact CE1-CG1 3.48Å; F1694-I1699 VanDerWaalsContact CE1-CG1 3.48Å; F1694-I1699 HydrophobicContact CE1-CG2 3.9Å; F1694-I1699 HydrophobicContact CE2-CG2 4.04Å; F1694-I1699 HydrophobicContact CZ-CD1 4.06Å; F1694-I1699 HydrophobicContact CZ-CG1 4.22Å; F1694-I1699 HydrophobicContact CZ-CG2 3.81Å; F1694-W1709 HydrophobicContact CD1-CZ2 4.12Å; F1694-W1709 HydrophobicContact CE1-CZ2 4.42Å |
| 1695 | C | 60.3 | Low | 58.6 | Low | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 166.1 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | C1685 N1697 G1698 L1700 W1709 | C1685-C1695 WeakPolarHBondContact CB-SG 3.32Å; C1685-C1695 VanDerWaalsContact SG-CA 3.59Å; C1685-C1695 WeakPolarHBondContact SG-CB 3.47Å; C1685-C1695 CovalentContact SG-SG 2.04Å; C1685-C1695 PolarHBondContact SG-SG 3.47Å; C1695-N1697 PolarHBondContact O-N 2.08Å; C1695-N1697 VanDerWaalsContact O-N 3.14Å; C1695-G1698 PolarHBondContact N-O 3.1Å; C1695-G1698 PolarHBondContact O-N 3.14Å; C1695-L1700 HydrophobicContact CB-CD1 3.82Å; C1695-L1700 WeakPolarHBondContact SG-CD1 3.31Å; C1695-W1709 PolarHBondContact O-NE1 3.01Å |
| 1696 | Y | 56.9 | Low | 58.9 | Low | 144 Ų | 144 | 58.3 Ų | 58.3 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.9 | 175.3 | -170 | -97.4 | 0 | 0 | 0 | 113.2 | W1669 W1709 | W1669-Y1696 AromaticContact CH2-CD2 3.64Å; W1669-Y1696 HydrophobicContact CH2-CD2 3.64Å; W1669-Y1696 HydrophobicContact CH2-CE2 4.48Å; W1669-Y1696 HydrophobicContact CH2-CG 4.43Å; W1669-Y1696 AromaticContact CZ3-CD2 3.52Å; W1669-Y1696 HydrophobicContact CZ3-CD2 3.52Å; W1669-Y1696 AromaticContact CZ3-CE2 4Å; W1669-Y1696 HydrophobicContact CZ3-CE2 4Å; Y1696-W1709 VanDerWaalsContact O-CD1 3.31Å |
| 1697 | N | 56.3 | Low | 59.2 | Low | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -22.2 | 178.3 | -70.5 | -0.9 | 0 | 0 | 0 | 113.4 | C1695 N1708 W1709 | C1695-N1697 PolarHBondContact O-N 2.08Å; C1695-N1697 VanDerWaalsContact O-N 3.14Å; N1697-N1708 CarbonylContact O-C 3.54Å; N1697-N1708 WeakPolarHBondContact O-CA 3.38Å; N1697-N1708 PolarHBondContact O-OD1 3.25Å; N1697-W1709 VanDerWaalsContact C-CD1 3.45Å; N1697-W1709 PolarHBondContact O-N 3.42Å |
| 1698 | G | 62.3 | Low | 59.7 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | -172.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1695 T1707 | C1695-G1698 PolarHBondContact N-O 3.1Å; C1695-G1698 PolarHBondContact O-N 3.14Å; G1698-T1707 CarbonylContact C-O 3.54Å; G1698-T1707 WeakPolarHBondContact CA-O 3.41Å |
| 1699 | I | 63 | Low | 59.8 | Low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131 | 169.6 | -46.3 | 175.5 | 0 | 0 | 0 | 107.8 | I1573 W1692 F1694 I1706 T1707 W1709 | I1573-I1699 HydrophobicContact CD1-CG2 3.74Å; W1692-I1699 HydrophobicContact CE3-CG2 3.96Å; W1692-I1699 HydrophobicContact CZ3-CG2 4.43Å; F1694-I1699 HydrophobicContact CD1-CB 4.49Å; F1694-I1699 HydrophobicContact CD1-CD1 4.29Å; F1694-I1699 HydrophobicContact CD1-CG1 3.78Å; F1694-I1699 HydrophobicContact CD1-CG2 4.3Å; F1694-I1699 HydrophobicContact CD2-CG2 4.46Å; F1694-I1699 HydrophobicContact CE1-CB 4.28Å; F1694-I1699 HydrophobicContact CE1-CD1 3.49Å; F1694-I1699 VanDerWaalsContact CE1-CD1 3.49Å; F1694-I1699 HydrophobicContact CE1-CG1 3.48Å; F1694-I1699 VanDerWaalsContact CE1-CG1 3.48Å; F1694-I1699 HydrophobicContact CE1-CG2 3.9Å; F1694-I1699 HydrophobicContact CE2-CG2 4.04Å; F1694-I1699 HydrophobicContact CZ-CD1 4.06Å; F1694-I1699 HydrophobicContact CZ-CG1 4.22Å; F1694-I1699 HydrophobicContact CZ-CG2 3.81Å; I1699-I1706 WeakPolarHBondContact O-CA 3.2Å; I1699-I1706 WeakPolarHBondContact O-CB 3.23Å; I1699-I1706 PolarHBondContact O-N 3.38Å; I1699-T1707 HydrophobicContact CB-CG2 3.67Å; I1699-T1707 HydrophobicContact CD1-CG2 3.53Å; I1699-T1707 HydrophobicContact CG1-CG2 3.4Å; I1699-T1707 VanDerWaalsContact CG1-CG2 3.4Å; I1699-T1707 PolarHBondContact N-O 3Å; I1699-T1707 PolarHBondContact O-N 2.9Å; I1699-W1709 HydrophobicContact CD1-CH2 3.96Å; I1699-W1709 HydrophobicContact CD1-CZ2 4.1Å; I1699-W1709 HydrophobicContact CG1-CH2 3.96Å; I1699-W1709 HydrophobicContact CG1-CZ2 3.57Å |
| 1700 | L | 61 | Low | 59.4 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.9 | 174.3 | -56.2 | 97.9 | 0 | 0 | 0 | 111.1 | W1692 N1693 C1695 Q1704 L1705 | W1692-L1700 CarbonylContact C-O 3.55Å; W1692-L1700 WeakPolarHBondContact CA-O 3.42Å; N1693-L1700 HydrophobicContact CB-CB 4.25Å; N1693-L1700 HydrophobicContact CB-CD1 4.5Å; N1693-L1700 PolarHBondContact N-O 3.47Å; N1693-L1700 PolarHBondContact O-N 2.93Å; C1695-L1700 HydrophobicContact CB-CD1 3.82Å; C1695-L1700 WeakPolarHBondContact SG-CD1 3.31Å; L1700-Q1704 CarbonylContact C-O 3.57Å; L1700-Q1704 WeakPolarHBondContact CA-O 3.29Å; L1700-Q1704 WeakPolarHBondContact CB-O 3.49Å; L1700-L1705 HydrophobicContact CD1-CD1 4.26Å; L1700-L1705 HydrophobicContact CD2-CB 4.36Å; L1700-L1705 HydrophobicContact CD2-CD1 4.4Å; L1700-L1705 HydrophobicContact CG-CB 4.42Å; L1700-L1705 HydrophobicContact CG-CD1 3.91Å |
| 1701 | W | 62.7 | Low | 58.4 | Low | 61 Ų | 61 | 49.4 Ų | 49.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.5 | 164 | 175.6 | -91.3 | 0 | 0 | 0 | 108.4 | K1570 G1597 P1691 W1692 D1703 Q1704 I1706 | K1570-W1701 WeakPolarHBondContact O-CH2 3.19Å; G1597-W1701 WeakPolarHBondContact O-CZ2 3.5Å; G1597-W1701 PolarHBondContact O-NE1 2.88Å; P1691-W1701 HydrophobicContact CB-CD2 4.02Å; P1691-W1701 HydrophobicContact CB-CE3 3.71Å; P1691-W1701 HydrophobicContact CB-CH2 3.45Å; P1691-W1701 VanDerWaalsContact CB-CH2 3.45Å; P1691-W1701 HydrophobicContact CB-CZ2 3.71Å; P1691-W1701 HydrophobicContact CB-CZ3 3.44Å; P1691-W1701 VanDerWaalsContact CB-CZ3 3.44Å; P1691-W1701 HydrophobicContact CG-CE3 4.14Å; P1691-W1701 HydrophobicContact CG-CH2 3.48Å; P1691-W1701 VanDerWaalsContact CG-CH2 3.48Å; P1691-W1701 HydrophobicContact CG-CZ2 4.22Å; P1691-W1701 HydrophobicContact CG-CZ3 3.41Å; P1691-W1701 VanDerWaalsContact CG-CZ3 3.41Å; P1691-W1701 CarbonylContact O-C 3.28Å; P1691-W1701 WeakPolarHBondContact O-CA 3.16Å; W1692-W1701 AromaticContact CD1-CE3 3.91Å; W1692-W1701 AromaticContact CD1-CZ3 3.66Å; W1692-W1701 HydrophobicContact CD2-CD2 4.49Å; W1692-W1701 AromaticContact CD2-CE3 3.35Å; W1692-W1701 HydrophobicContact CD2-CE3 3.35Å; W1692-W1701 AromaticContact CD2-CZ3 3.86Å; W1692-W1701 HydrophobicContact CD2-CZ3 3.86Å; W1692-W1701 AromaticContact CE2-CE3 3.23Å; W1692-W1701 AromaticContact CE2-CZ3 3.35Å; W1692-W1701 HydrophobicContact CE3-CB 4.08Å; W1692-W1701 AromaticContact CE3-CE3 3.77Å; W1692-W1701 HydrophobicContact CE3-CE3 3.77Å; W1692-W1701 AromaticContact CG-CE3 3.8Å; W1692-W1701 HydrophobicContact CG-CE3 3.8Å; W1692-W1701 HydrophobicContact CG-CZ3 4.04Å; W1692-W1701 AromaticContact CH2-CE3 3.94Å; W1692-W1701 HydrophobicContact CH2-CE3 3.94Å; W1692-W1701 AromaticContact CZ2-CE3 3.54Å; W1692-W1701 HydrophobicContact CZ2-CE3 3.54Å; W1692-W1701 AromaticContact CZ2-CZ3 3.76Å; W1692-W1701 HydrophobicContact CZ2-CZ3 3.76Å; W1692-W1701 HydrophobicContact CZ3-CB 4.02Å; W1692-W1701 HydrophobicContact CZ3-CE3 4.08Å; W1692-W1701 AromaticContact NE1-CE3 3.64Å; W1692-W1701 AromaticContact NE1-CZ3 3.27Å; W1692-W1701 VanDerWaalsContact NE1-CZ3 3.27Å; W1701-D1703 PolarHBondContact O-N 3.42Å; W1701-Q1704 PolarHBondContact N-O 3.01Å; W1701-Q1704 WeakPolarHBondContact O-CB 3.49Å; W1701-Q1704 PolarHBondContact O-N 3.35Å; W1701-I1706 HydrophobicContact CB-CD1 3.78Å; W1701-I1706 HydrophobicContact CB-CG1 3.74Å |
| 1702 | G | 66.2 | Low | 57 | Low | 31 Ų | 31 | 53.3 Ų | 53.3 | 32% | 0.32 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -121.9 | -161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1691 N1693 | P1691-G1702 PolarHBondContact O-N 3.09Å; N1693-G1702 PolarHBondContact ND2-O 3.32Å |
| 1703 | D | 62.1 | Low | 55.4 | Low | 120 Ų | 120 | 59.4 Ų | 59.4 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2 | 177.7 | -53.9 | -35.6 | 0 | 0 | 0 | 113.4 | N1686 W1701 | N1686-D1703 PolarHBondContact ND2-OD1 3.45Å; W1701-D1703 PolarHBondContact O-N 3.42Å |
| 1704 | Q | 58.1 | Low | 53.5 | Low | 87 Ų | 87 | 67.9 Ų | 67.9 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115.7 | -169.7 | -168.6 | 173.1 | -1.7 | 0 | 0 | 111.8 | L1700 W1701 I1706 | L1700-Q1704 CarbonylContact C-O 3.57Å; L1700-Q1704 WeakPolarHBondContact CA-O 3.29Å; L1700-Q1704 WeakPolarHBondContact CB-O 3.49Å; W1701-Q1704 PolarHBondContact N-O 3.01Å; W1701-Q1704 WeakPolarHBondContact O-CB 3.49Å; W1701-Q1704 PolarHBondContact O-N 3.35Å; Q1704-I1706 WeakPolarHBondContact O-CG1 3.29Å; Q1704-I1706 PolarHBondContact O-N 3.25Å |
| 1705 | L | 60.1 | Low | 52 | Low | 87 Ų | 87 | 72.4 Ų | 72.4 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 117.6 | 175.6 | -168.7 | 72.3 | 0 | 0 | 0 | 111.2 | L1700 N1708 | L1700-L1705 HydrophobicContact CD1-CD1 4.26Å; L1700-L1705 HydrophobicContact CD2-CB 4.36Å; L1700-L1705 HydrophobicContact CD2-CD1 4.4Å; L1700-L1705 HydrophobicContact CG-CB 4.42Å; L1700-L1705 HydrophobicContact CG-CD1 3.91Å; L1705-N1708 HydrophobicContact CD2-CB 4.14Å |
| 1706 | I | 57.1 | Low | 51.6 | Low | 32 Ų | 32 | 75.7 Ų | 75.7 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -39.5 | -176.1 | -56.7 | -68.2 | 0 | 0 | 0 | 111.4 | V1595 I1601 W1692 I1699 W1701 Q1704 | V1595-I1706 HydrophobicContact CG1-CG2 3.96Å; I1601-I1706 HydrophobicContact CD1-CD1 3.25Å; I1601-I1706 HydrophobicContact CG1-CD1 4.05Å; I1601-I1706 HydrophobicContact CG2-CG2 4.36Å; W1692-I1706 HydrophobicContact CZ3-CB 4.4Å; W1692-I1706 HydrophobicContact CZ3-CG1 3.94Å; W1692-I1706 HydrophobicContact CZ3-CG2 4.24Å; I1699-I1706 WeakPolarHBondContact O-CA 3.2Å; I1699-I1706 WeakPolarHBondContact O-CB 3.23Å; I1699-I1706 PolarHBondContact O-N 3.38Å; W1701-I1706 HydrophobicContact CB-CD1 3.78Å; W1701-I1706 HydrophobicContact CB-CG1 3.74Å; Q1704-I1706 WeakPolarHBondContact O-CG1 3.29Å; Q1704-I1706 PolarHBondContact O-N 3.25Å |
| 1707 | T | 55.3 | Low | 51.4 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.5 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | G1698 I1699 | G1698-T1707 CarbonylContact C-O 3.54Å; G1698-T1707 WeakPolarHBondContact CA-O 3.41Å; I1699-T1707 HydrophobicContact CB-CG2 3.67Å; I1699-T1707 HydrophobicContact CD1-CG2 3.53Å; I1699-T1707 HydrophobicContact CG1-CG2 3.4Å; I1699-T1707 VanDerWaalsContact CG1-CG2 3.4Å; I1699-T1707 PolarHBondContact N-O 3Å; I1699-T1707 PolarHBondContact O-N 2.9Å |
| 1708 | N | 55 | Low | 51.1 | Low | 45 Ų | 45 | 72.6 Ų | 72.6 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.4 | 178.4 | 179.1 | -3.5 | 0 | 0 | 0 | 109.5 | N1697 L1705 N1710 D1711 | N1697-N1708 CarbonylContact O-C 3.54Å; N1697-N1708 WeakPolarHBondContact O-CA 3.38Å; N1697-N1708 PolarHBondContact O-OD1 3.25Å; L1705-N1708 HydrophobicContact CD2-CB 4.14Å; N1708-N1710 VanDerWaalsContact C-N 3.26Å; N1708-N1710 PolarHBondContact O-N 3.37Å; N1708-N1710 PolarHBondContact OD1-N 3.49Å; N1708-D1711 HydrophobicContact CB-CB 4.29Å; N1708-D1711 PolarHBondContact ND2-OD2 3.44Å |
| 1709 | W | 49.7 | Very low | 50.4 | Low | 37 Ų | 37 | 76.8 Ų | 76.8 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -64.9 | -30.4 | -179 | -57.3 | 118.9 | 0 | 0 | 0 | 112.6 | K1564 F1694 C1695 Y1696 N1697 I1699 | K1564-W1709 HydrophobicContact CD-CZ3 4.3Å; F1694-W1709 HydrophobicContact CD1-CZ2 4.12Å; F1694-W1709 HydrophobicContact CE1-CZ2 4.42Å; C1695-W1709 PolarHBondContact O-NE1 3.01Å; Y1696-W1709 VanDerWaalsContact O-CD1 3.31Å; N1697-W1709 VanDerWaalsContact C-CD1 3.45Å; N1697-W1709 PolarHBondContact O-N 3.42Å; I1699-W1709 HydrophobicContact CD1-CH2 3.96Å; I1699-W1709 HydrophobicContact CD1-CZ2 4.1Å; I1699-W1709 HydrophobicContact CG1-CH2 3.96Å; I1699-W1709 HydrophobicContact CG1-CZ2 3.57Å |
| 1710 | N | 45 | Very low | 49.6 | Very low | 60 Ų | 60 | 81.4 Ų | 81.4 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -92.8 | -12.5 | -170.8 | -74.7 | -27.6 | 0 | 0 | 0 | 114.6 | N1708 H1712 H1713 K1714 | N1708-N1710 VanDerWaalsContact C-N 3.26Å; N1708-N1710 PolarHBondContact O-N 3.37Å; N1708-N1710 PolarHBondContact OD1-N 3.49Å; N1710-H1712 PolarHBondContact O-N 2.7Å; N1710-H1712 VanDerWaalsContact O-N 3.15Å; N1710-H1713 PolarHBondContact O-N 3.21Å; N1710-K1714 PolarHBondContact O-N 3.19Å |
| 1711 | D | 41.4 | Very low | 48.9 | Very low | 89 Ų | 89 | 86.4 Ų | 86.4 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -68.1 | -8.4 | 174.7 | -93.9 | -46.2 | 0 | 0 | 0 | 112.6 | R1387 N1708 | R1387-D1711 IonicContact NH1-OD1 3.29Å; R1387-D1711 PolarHBondContact NH1-OD1 3.46Å; R1387-D1711 VanDerWaalsContact NH1-OD1 3.07Å; N1708-D1711 HydrophobicContact CB-CB 4.29Å; N1708-D1711 PolarHBondContact ND2-OD2 3.44Å |
| 1712 | H | 36.4 | Very low | 47.9 | Very low | 120 Ų | 120 | 88.2 Ų | 88.2 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -105.3 | -11 | 176.8 | -71.7 | -32.8 | 0 | 0 | 0 | 115.3 | N1710 | N1710-H1712 PolarHBondContact O-N 2.7Å; N1710-H1712 VanDerWaalsContact O-N 3.15Å |
| 1713 | H | 29.3 | Very low | 46.5 | Very low | 140 Ų | 140 | 92.6 Ų | 92.6 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 3.5 | -175.5 | -81.3 | -58.9 | 0 | 0 | 0 | 115.5 | N1710 T1715 | N1710-H1713 PolarHBondContact O-N 3.21Å; H1713-T1715 PolarHBondContact O-N 3.23Å |
| 1714 | K | 25.4 | Very low | 45.2 | Very low | 189 Ų | 189 | 90.3 Ų | 90.3 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | trans | -82.2 | 70.6 | 163.5 | -81.8 | -171.5 | 174.8 | -178.9 | 0 | 110.7 | N1710 | N1710-K1714 PolarHBondContact O-N 3.19Š| ||
| 1715 | T | 29.2 | Very low | 44 | Very low | 163 Ų | 163 | 90.6 Ų | 90.6 | 100% | 1 | 46% | 0.458 | S | S | * | . | trans | -145.3 | 0 | 157.9 | 45.4 | 0 | 0 | 0 | 0 | 105.6 | H1713 | H1713-T1715 PolarHBondContact O-N 3.23Š|
Retrieved 1,715 of 1,715 residues in 445.2 ms
(Link to these results)