| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 68.4 | Low | 239 Ų | 239 | 118.4 Ų | 118.4 | 100% | 1.177 | 64% | 0.64 | S | S | * | * | 0 | 114.4 | 0 | -66.4 | -169.7 | -177.6 | 0 | 0 | 107.5 | T3 | M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | S | 31.2 | Very low | 70.9 | Confident | 127 Ų | 127 | 109.7 Ų | 109.7 | 89% | 0.888 | 59% | 0.594 | S | S | * | * | trans | -72.9 | 105.5 | -173.6 | -160.9 | 0 | 0 | 0 | 0 | 108.8 | A4 | S2-A4 PolarHBondContact O-N 2.96Š| ||
| 3 | T | 41 | Very low | 72.9 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 77% | 0.767 | 59% | 0.586 | S | S | * | * | trans | -63 | 102.1 | 169.8 | 51.3 | 0 | 0 | 0 | 0 | 106.9 | M1 R5 | M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-R5 PolarHBondContact O-N 2.98Å | ||
| 4 | A | 48.3 | Very low | 74.7 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 80% | 0.802 | 55% | 0.545 | S | S | * | . | trans | -50.9 | 114.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | S2 E6 | S2-A4 PolarHBondContact O-N 2.96Å; A4-E6 PolarHBondContact O-N 3.25Å | ||
| 5 | R | 62.1 | Low | 76.3 | Confident | 227 Ų | 227 | 102.3 Ų | 102.3 | 86% | 0.857 | 54% | 0.535 | S | S | * | . | trans | -56.2 | 126.1 | 178.3 | -69.4 | 175.1 | 175.2 | 165.9 | -2 | 107.3 | T3 Q7 | T3-R5 PolarHBondContact O-N 2.98Å; R5-Q7 PolarHBondContact O-N 3.3Å | ||
| 6 | E | 72.6 | Confident | 77.6 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | trans | -46 | 117.1 | 172.7 | -82.6 | 179.1 | -168.3 | 0 | 0 | 108.4 | A4 F40 D42 R49 | A4-E6 PolarHBondContact O-N 3.25Å; E6-F40 HydrophobicContact CB-CD1 4.08Å; E6-F40 WeakPolarHBondContact O-CE1 3.43Å; E6-D42 WeakPolarHBondContact OE1-CA 3.41Å; E6-R49 IonicContact OE1-NH2 3.43Å; E6-R49 PolarHBondContact OE1-NH2 3.36Å; E6-R49 IonicContact OE2-CZ 3.93Å; E6-R49 IonicContact OE2-NH2 2.81Å; E6-R49 PolarHBondContact OE2-NH2 3.33Å | ||
| 7 | Q | 84 | Confident | 78.7 | Confident | 166 Ų | 166 | 93.5 Ų | 93.5 | 78% | 0.776 | 49% | 0.487 | S | S | * | . | trans | -85.6 | 141 | 177.5 | -68.7 | -168.6 | 9 | 0 | 0 | 109.5 | R5 | R5-Q7 PolarHBondContact O-N 3.3Š| ||
| 8 | P | 91.5 | Very high | 79.7 | Confident | 59 Ų | 59 | 91.3 Ų | 91.3 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.5 | 176.6 | 28.5 | -32.7 | 0 | 0 | 0 | 110.3 | F10 S11 Y39 F40 | P8-F10 VanDerWaalsContact C-N 3.34Å; P8-S11 WeakPolarHBondContact CB-OG 3.39Å; P8-Y39 CarbonylContact C-O 3.47Å; P8-Y39 WeakPolarHBondContact CA-O 3.37Å; P8-F40 HydrophobicContact CB-CD1 4.25Å; P8-F40 HydrophobicContact CB-CE1 3.73Å; P8-F40 HydrophobicContact CB-CE2 4.23Å; P8-F40 HydrophobicContact CB-CZ 3.73Å; P8-F40 HydrophobicContact CG-CE1 4.25Å; P8-F40 HydrophobicContact CG-CZ 4.31Å |
| 9 | I | 94.4 | Very high | 80.4 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -39.4 | 173.6 | -62 | 162.7 | 0 | 0 | 0 | 110.2 | Y39 Y48 | I9-Y39 PolarHBondContact N-O 2.98Å; I9-Y48 HydrophobicContact CD1-CD1 3.76Å; I9-Y48 HydrophobicContact CD1-CE1 3.74Å |
| 10 | F | 96.6 | Very high | 80.9 | Confident | 35 Ų | 35 | 84.7 Ų | 84.7 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144.2 | 179.8 | 172.5 | -92.2 | 0 | 0 | 0 | 108.6 | P8 T12 S38 Y39 Q101 F102 K105 | P8-F10 VanDerWaalsContact C-N 3.34Å; F10-T12 HydrophobicContact CE1-CG2 3.76Å; F10-T12 HydrophobicContact CZ-CG2 4.4Å; F10-S38 CarbonylContact O-C 3.57Å; F10-S38 WeakPolarHBondContact O-CA 3.45Å; F10-S38 WeakPolarHBondContact O-CB 3.37Å; F10-Y39 HydrophobicContact CB-CD2 4.11Å; F10-Y39 AromaticContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CE2 4.04Å; F10-Y39 HydrophobicContact CG-CD2 4.36Å; F10-Y39 PolarHBondContact O-N 3.49Å; F10-Q101 HydrophobicContact CZ-CB 4.4Å; F10-F102 HydrophobicContact CE1-CD2 4.14Å; F10-K105 HydrophobicContact CB-CD 4.36Å; F10-K105 HydrophobicContact CB-CG 4.38Å; F10-K105 HydrophobicContact CD1-CB 4.49Å; F10-K105 HydrophobicContact CD1-CG 4.29Å; F10-K105 HydrophobicContact CD2-CD 4.3Å; F10-K105 HydrophobicContact CD2-CG 3.9Å; F10-K105 HydrophobicContact CE2-CG 4.2Å; F10-K105 HydrophobicContact CG-CD 4.37Å; F10-K105 HydrophobicContact CG-CG 3.93Å |
| 11 | S | 97.2 | Very high | 81.2 | Confident | 58 Ų | 58 | 85 Ų | 85 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.7 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | P8 V37 S38 | P8-S11 WeakPolarHBondContact CB-OG 3.39Å; S11-V37 WeakPolarHBondContact CA-O 3.33Å; S11-S38 WeakPolarHBondContact CB-OG 3.36Å; S11-S38 WeakPolarHBondContact OG-CB 3.21Å; S11-S38 PolarHBondContact OG-OG 2.86Å |
| 12 | T | 97.7 | Very high | 83.7 | Confident | 14 Ų | 14 | 79.4 Ų | 79.4 | 9% | 0.086 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 169.6 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | F10 T36 V37 F93 F102 | F10-T12 HydrophobicContact CE1-CG2 3.76Å; F10-T12 HydrophobicContact CZ-CG2 4.4Å; T12-T36 CarbonylContact O-C 3.57Å; T12-T36 WeakPolarHBondContact O-CA 3.48Å; T12-V37 PolarHBondContact N-O 3.17Å; T12-V37 PolarHBondContact O-N 3.35Å; T12-F93 HydrophobicContact CG2-CD1 4.5Å; T12-F93 HydrophobicContact CG2-CE1 3.8Å; T12-F102 HydrophobicContact CG2-CD2 3.7Å; T12-F102 HydrophobicContact CG2-CE2 4.34Å |
| 13 | R | 97.6 | Very high | 86.4 | Confident | 131 Ų | 131 | 76.3 Ų | 76.3 | 49% | 0.494 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.6 | 179.5 | -69.9 | -75.4 | -69.7 | -159.8 | -5 | 110.2 | A34 L35 T36 | R13-A34 PolarHBondContact NH2-O 3.03Å; R13-L35 WeakPolarHBondContact CA-O 3.44Å; R13-T36 WeakPolarHBondContact CD-OG1 3.48Å; R13-T36 PolarHBondContact NH1-OG1 2.96Å |
| 14 | A | 98 | Very high | 88.5 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A34 L35 V37 L91 G92 F93 | A14-A34 CarbonylContact O-C 3.55Å; A14-A34 WeakPolarHBondContact O-CA 3.36Å; A14-L35 PolarHBondContact N-O 2.99Å; A14-L35 PolarHBondContact O-N 3.41Å; A14-V37 HydrophobicContact CB-CG2 4.35Å; A14-L91 HydrophobicContact CB-CB 4.12Å; A14-L91 HydrophobicContact CB-CD2 4.15Å; A14-G92 CarbonylContact C-O 3.6Å; A14-G92 WeakPolarHBondContact CA-O 3.46Å; A14-F93 HydrophobicContact CB-CD1 3.81Å; A14-F93 HydrophobicContact CB-CE1 3.79Å; A14-F93 HydrophobicContact CB-CG 4.4Å; A14-F93 HydrophobicContact CB-CZ 4.36Å |
| 15 | H | 98.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.1 | 164.9 | -68.4 | 89.8 | 0 | 0 | 0 | 108.8 | F17 A34 L91 G92 | H15-F17 HydrophobicContact CB-CE2 3.61Å; H15-F17 HydrophobicContact CB-CZ 4.09Å; H15-F17 WeakPolarHBondContact O-CD2 3.3Å; H15-F17 WeakPolarHBondContact O-CE2 3.42Å; H15-A34 PolarHBondContact CD2-N 3.41Å; H15-A34 PolarHBondContact NE2-N 3.47Å; H15-L91 WeakPolarHBondContact O-CA 3.39Å; H15-G92 PolarHBondContact N-O 3.49Å; H15-G92 PolarHBondContact O-N 3.44Å |
| 16 | V | 97.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.6 | -175.4 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | A30 L35 V37 I59 I60 L91 | V16-A30 HydrophobicContact CB-CB 4.26Å; V16-A30 HydrophobicContact CG1-CB 3.96Å; V16-A30 PolarHBondContact O-N 2.81Å; V16-L35 HydrophobicContact CG2-CB 4.42Å; V16-L35 HydrophobicContact CG2-CD1 4.39Å; V16-V37 HydrophobicContact CG2-CG2 4.05Å; V16-I59 HydrophobicContact CG1-CG2 3.96Å; V16-I60 HydrophobicContact CB-CD1 4.46Å; V16-I60 HydrophobicContact CG1-CD1 3.53Å; V16-I60 HydrophobicContact CG1-CG1 3.85Å; V16-I60 HydrophobicContact CG2-CD1 4.05Å; V16-L91 HydrophobicContact CB-CD2 4.34Å; V16-L91 HydrophobicContact CG1-CD2 4.35Å; V16-L91 HydrophobicContact CG2-CD2 3.81Å |
| 17 | F | 97.1 | Very high | 92.9 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 23% | 0.228 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.5 | 177 | -58.2 | -96.3 | 0 | 0 | 0 | 110.2 | H15 W27 I28 P29 F77 G90 | H15-F17 HydrophobicContact CB-CE2 3.61Å; H15-F17 HydrophobicContact CB-CZ 4.09Å; H15-F17 WeakPolarHBondContact O-CD2 3.3Å; H15-F17 WeakPolarHBondContact O-CE2 3.42Å; F17-W27 HydrophobicContact CB-CD2 4.43Å; F17-W27 HydrophobicContact CB-CE3 3.65Å; F17-W27 HydrophobicContact CB-CZ3 4.23Å; F17-W27 HydrophobicContact CD1-CB 4.49Å; F17-I28 CarbonylContact C-O 3.57Å; F17-I28 VanDerWaalsContact CA-O 3.3Å; F17-I28 WeakPolarHBondContact CA-O 3.39Å; F17-P29 HydrophobicContact CD1-CB 4.09Å; F17-P29 HydrophobicContact CE1-CB 4Å; F17-F77 AromaticContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CE2-CE2 4.11Å; F17-F77 HydrophobicContact CG-CE2 4.22Å; F17-G90 PolarHBondContact N-O 3.5Å; F17-G90 PolarHBondContact O-N 3.29Å |
| 18 | Q | 95.7 | Very high | 93.4 | Very high | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.8 | 170.5 | -68.5 | -178.4 | 43 | 0 | 0 | 109.2 | I28 A30 I59 V88 Y89 | Q18-I28 PolarHBondContact N-O 3.19Å; Q18-I28 PolarHBondContact O-N 3.15Å; Q18-A30 HydrophobicContact CG-CB 4.49Å; Q18-I59 PolarHBondContact NE2-O 3.3Å; Q18-V88 WeakPolarHBondContact CA-O 3.5Å; Q18-Y89 HydrophobicContact CG-CD1 3.66Å; Q18-Y89 HydrophobicContact CG-CE1 3.86Å |
| 19 | I | 93.3 | Very high | 93.6 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.3 | 172.2 | -152.7 | 166.6 | 0 | 0 | 0 | 109.6 | K24 N26 V88 | I19-K24 WeakPolarHBondContact CD1-O 3.33Å; I19-N26 WeakPolarHBondContact CA-O 2.92Å; I19-V88 HydrophobicContact CB-CB 4.07Å; I19-V88 HydrophobicContact CG2-CB 3.76Å; I19-V88 HydrophobicContact CG2-CG2 3.94Å; I19-V88 PolarHBondContact N-O 3.22Å |
| 20 | D | 90 | Very high | 93.4 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | trans | -56.3 | 122.1 | 174.3 | 177.4 | -1.3 | 0 | 0 | 0 | 110 | T22 T23 K24 N26 I28 | D20-T22 PolarHBondContact O-N 3.31Å; D20-T22 WeakPolarHBondContact OD1-CB 3.32Å; D20-T22 PolarHBondContact OD1-N 3.07Å; D20-T22 PolarHBondContact OD1-OG1 2.74Å; D20-T23 VanDerWaalsContact CB-OG1 3.28Å; D20-T23 WeakPolarHBondContact CB-OG1 3.21Å; D20-T23 VanDerWaalsContact CG-OG1 3.25Å; D20-T23 WeakPolarHBondContact OD2-CB 3.3Å; D20-T23 VanDerWaalsContact OD2-CG2 3.26Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.39Å; D20-T23 PolarHBondContact OD2-N 3.17Å; D20-T23 PolarHBondContact OD2-OG1 3.01Å; D20-K24 WeakPolarHBondContact O-CA 3.35Å; D20-K24 PolarHBondContact O-N 3.04Å; D20-N26 HydrophobicContact CB-CB 4.35Å; D20-N26 PolarHBondContact N-O 2.76Å; D20-I28 HydrophobicContact CB-CD1 3.59Å; D20-I28 HydrophobicContact CB-CG1 3.99Å | ||
| 21 | P | 86.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 69 Ų | 69 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.9 | -179.7 | 26.4 | -35.1 | 0 | 0 | 0 | 112.8 | K24 | P21-K24 VanDerWaalsContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CE 3.44Å |
| 22 | T | 86.1 | Confident | 92.4 | Very high | 123 Ų | 123 | 75.5 Ų | 75.5 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -54 | -177.6 | -42.3 | 0 | 0 | 0 | 0 | 111.1 | D20 | D20-T22 PolarHBondContact O-N 3.31Å; D20-T22 WeakPolarHBondContact OD1-CB 3.32Å; D20-T22 PolarHBondContact OD1-N 3.07Å; D20-T22 PolarHBondContact OD1-OG1 2.74Å |
| 23 | T | 88.2 | Confident | 92.1 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -19.6 | -173.7 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | D20 R25 N26 | D20-T23 VanDerWaalsContact CB-OG1 3.28Å; D20-T23 WeakPolarHBondContact CB-OG1 3.21Å; D20-T23 VanDerWaalsContact CG-OG1 3.25Å; D20-T23 WeakPolarHBondContact OD2-CB 3.3Å; D20-T23 VanDerWaalsContact OD2-CG2 3.26Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.39Å; D20-T23 PolarHBondContact OD2-N 3.17Å; D20-T23 PolarHBondContact OD2-OG1 3.01Å; T23-R25 WeakPolarHBondContact O-CG 3.42Å; T23-R25 PolarHBondContact O-N 2.7Å; T23-N26 PolarHBondContact OG1-ND2 2.91Å |
| 24 | K | 86.8 | Confident | 92 | Very high | 98 Ų | 98 | 76.2 Ų | 76.2 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 49.4 | 23.8 | -176.6 | -60.3 | -66.3 | -170.9 | 178.1 | 0 | 113.9 | I19 D20 P21 N86 | I19-K24 WeakPolarHBondContact CD1-O 3.33Å; D20-K24 WeakPolarHBondContact O-CA 3.35Å; D20-K24 PolarHBondContact O-N 3.04Å; P21-K24 VanDerWaalsContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CE 3.44Å; K24-N86 PolarHBondContact NZ-O 3.21Å |
| 25 | R | 86.8 | Confident | 91.9 | Very high | 218 Ų | 218 | 77.5 Ų | 77.5 | 82% | 0.823 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -134.9 | -31.9 | -177.5 | -71.8 | -174.5 | -177.8 | -127.5 | 1.7 | 113.3 | T23 | T23-R25 WeakPolarHBondContact O-CG 3.42Å; T23-R25 PolarHBondContact O-N 2.7Å |
| 26 | N | 92.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | trans | -93.2 | 139.3 | -176.1 | -63.9 | -38.8 | 0 | 0 | 0 | 111.8 | I19 D20 T23 | I19-N26 WeakPolarHBondContact CA-O 2.92Å; D20-N26 HydrophobicContact CB-CB 4.35Å; D20-N26 PolarHBondContact N-O 2.76Å; T23-N26 PolarHBondContact OG1-ND2 2.91Å | ||
| 27 | W | 95.3 | Very high | 91.9 | Very high | 91 Ų | 91 | 76.3 Ų | 76.3 | 35% | 0.345 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.1 | 171.8 | -72.3 | 104.5 | 0 | 0 | 0 | 110.8 | F17 F77 Q79 V88 | F17-W27 HydrophobicContact CB-CD2 4.43Å; F17-W27 HydrophobicContact CB-CE3 3.65Å; F17-W27 HydrophobicContact CB-CZ3 4.23Å; F17-W27 HydrophobicContact CD1-CB 4.49Å; W27-F77 HydrophobicContact CD2-CZ 4.06Å; W27-F77 AromaticContact CE2-CZ 3.91Å; W27-F77 HydrophobicContact CE3-CZ 4.23Å; W27-F77 HydrophobicContact CH2-CE1 4.23Å; W27-F77 HydrophobicContact CH2-CZ 4.09Å; W27-F77 AromaticContact CZ2-CE1 3.82Å; W27-F77 HydrophobicContact CZ2-CE1 3.82Å; W27-F77 AromaticContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ3-CZ 4.25Å; W27-Q79 HydrophobicContact CH2-CB 3.79Å; W27-Q79 HydrophobicContact CZ2-CB 4.18Å; W27-V88 HydrophobicContact CH2-CG1 3.91Å |
| 28 | I | 95.2 | Very high | 91.9 | Very high | 77 Ų | 77 | 74.2 Ų | 74.2 | 40% | 0.395 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.5 | 175.8 | -54.2 | -179.9 | 0 | 0 | 0 | 108.7 | F17 Q18 D20 A30 | F17-I28 CarbonylContact C-O 3.57Å; F17-I28 VanDerWaalsContact CA-O 3.3Å; F17-I28 WeakPolarHBondContact CA-O 3.39Å; Q18-I28 PolarHBondContact N-O 3.19Å; Q18-I28 PolarHBondContact O-N 3.15Å; D20-I28 HydrophobicContact CB-CD1 3.59Å; D20-I28 HydrophobicContact CB-CG1 3.99Å; I28-A30 PolarHBondContact O-N 3.43Å |
| 29 | P | 95.1 | Very high | 92 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.5 | 174.9 | 27 | -32.4 | 0 | 0 | 0 | 110.4 | F17 | F17-P29 HydrophobicContact CD1-CB 4.09Å; F17-P29 HydrophobicContact CE1-CB 4Å |
| 30 | A | 90.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 72.1 Ų | 72.1 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -91.9 | -3.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V16 Q18 I28 I59 | V16-A30 HydrophobicContact CB-CB 4.26Å; V16-A30 HydrophobicContact CG1-CB 3.96Å; V16-A30 PolarHBondContact O-N 2.81Å; Q18-A30 HydrophobicContact CG-CB 4.49Å; I28-A30 PolarHBondContact O-N 3.43Å; A30-I59 HydrophobicContact CB-CG2 3.47Å; A30-I59 VanDerWaalsContact CB-CG2 3.47Å; A30-I59 WeakPolarHBondContact O-CD1 3.25Å |
| 31 | G | 85.4 | Confident | 92.4 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | trans | -159.4 | 157.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | K | 86.3 | Confident | 92.7 | Very high | 195 Ų | 195 | 70.7 Ų | 70.7 | 85% | 0.848 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.9 | -21.6 | -179.4 | -67.4 | -172.9 | 179.2 | -176.6 | 0 | 114.1 | ||
| 33 | H | 92.7 | Very high | 92.9 | Very high | 137 Ų | 137 | 68.2 Ų | 68.2 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -134.8 | 166.1 | -175.9 | -53.4 | -60.5 | 0 | 0 | 0 | 109.8 | L35 | H33-L35 PolarHBondContact O-N 2.58Š|
| 34 | A | 94.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -57 | 133.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R13 A14 H15 | R13-A34 PolarHBondContact NH2-O 3.03Å; A14-A34 CarbonylContact O-C 3.55Å; A14-A34 WeakPolarHBondContact O-CA 3.36Å; H15-A34 PolarHBondContact CD2-N 3.41Å; H15-A34 PolarHBondContact NE2-N 3.47Å | ||
| 35 | L | 96.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.5 | 179.7 | -62 | 176.1 | 0 | 0 | 0 | 110.1 | R13 A14 V16 H33 C52 I59 | R13-L35 WeakPolarHBondContact CA-O 3.44Å; A14-L35 PolarHBondContact N-O 2.99Å; A14-L35 PolarHBondContact O-N 3.41Å; V16-L35 HydrophobicContact CG2-CB 4.42Å; V16-L35 HydrophobicContact CG2-CD1 4.39Å; H33-L35 PolarHBondContact O-N 2.58Å; L35-C52 WeakPolarHBondContact CB-SG 3.37Å; L35-I59 HydrophobicContact CD1-CD1 3.38Å |
| 36 | T | 96.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121 | 173.6 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | T12 R13 C52 | T12-T36 CarbonylContact O-C 3.57Å; T12-T36 WeakPolarHBondContact O-CA 3.48Å; R13-T36 WeakPolarHBondContact CD-OG1 3.48Å; R13-T36 PolarHBondContact NH1-OG1 2.96Å; T36-C52 PolarHBondContact O-SG 3Å |
| 37 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.5 | 176.1 | -173 | 0 | 0 | 0 | 0 | 107.7 | S11 T12 A14 V16 I50 C52 I60 L91 F102 | S11-V37 WeakPolarHBondContact CA-O 3.33Å; T12-V37 PolarHBondContact N-O 3.17Å; T12-V37 PolarHBondContact O-N 3.35Å; A14-V37 HydrophobicContact CB-CG2 4.35Å; V16-V37 HydrophobicContact CG2-CG2 4.05Å; V37-I50 HydrophobicContact CG1-CG2 3.67Å; V37-C52 HydrophobicContact CG2-CB 4.12Å; V37-I60 HydrophobicContact CG1-CD1 4.41Å; V37-L91 HydrophobicContact CG1-CD1 4.14Å; V37-L91 HydrophobicContact CG2-CD2 3.91Å; V37-F102 HydrophobicContact CG1-CE2 3.94Å; V37-F102 HydrophobicContact CG1-CZ 4.3Å |
| 38 | S | 97.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.8 | -171.4 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | F10 S11 F40 I50 I51 | F10-S38 CarbonylContact O-C 3.57Å; F10-S38 WeakPolarHBondContact O-CA 3.45Å; F10-S38 WeakPolarHBondContact O-CB 3.37Å; S11-S38 WeakPolarHBondContact CB-OG 3.36Å; S11-S38 WeakPolarHBondContact OG-CB 3.21Å; S11-S38 PolarHBondContact OG-OG 2.86Å; S38-F40 VanDerWaalsContact CB-CE2 3.44Å; S38-I50 WeakPolarHBondContact O-CA 3.37Å; S38-I51 PolarHBondContact N-O 3.44Å; S38-I51 PolarHBondContact O-N 3.23Å |
| 39 | Y | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.8 | 166.9 | -67.4 | -85.5 | 0 | 0 | 0 | 109.6 | P8 I9 F10 R49 I50 F102 K105 F106 V109 | P8-Y39 CarbonylContact C-O 3.47Å; P8-Y39 WeakPolarHBondContact CA-O 3.37Å; I9-Y39 PolarHBondContact N-O 2.98Å; F10-Y39 HydrophobicContact CB-CD2 4.11Å; F10-Y39 AromaticContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CE2 4.04Å; F10-Y39 HydrophobicContact CG-CD2 4.36Å; F10-Y39 PolarHBondContact O-N 3.49Å; Y39-R49 CarbonylContact C-O 3.54Å; Y39-R49 WeakPolarHBondContact CA-O 3.36Å; Y39-I50 HydrophobicContact CD1-CD1 4.44Å; Y39-I50 HydrophobicContact CD1-CG1 3.68Å; Y39-I50 HydrophobicContact CE1-CD1 3.69Å; Y39-I50 HydrophobicContact CE1-CG1 3.43Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.43Å; Y39-F102 HydrophobicContact CD2-CE2 4.47Å; Y39-F102 AromaticContact CE2-CD2 3.83Å; Y39-F102 HydrophobicContact CE2-CD2 3.83Å; Y39-F102 AromaticContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CZ 4.02Å; Y39-F102 AromaticContact CZ-CE2 3.79Å; Y39-F102 AromaticContact CZ-CZ 3.74Å; Y39-F102 VanDerWaalsContact OH-CE1 3.27Å; Y39-F102 WeakPolarHBondContact OH-CE1 3.29Å; Y39-F102 WeakPolarHBondContact OH-CZ 3.37Å; Y39-F102 PolarHBondContact OH-O 3.1Å; Y39-K105 HydrophobicContact CD2-CB 4.25Å; Y39-K105 HydrophobicContact CE2-CB 3.8Å; Y39-F106 HydrophobicContact CE1-CD2 4.33Å; Y39-F106 VanDerWaalsContact OH-CA 3.31Å; Y39-F106 WeakPolarHBondContact OH-CA 3.44Å; Y39-F106 VanDerWaalsContact OH-CB 3.26Å; Y39-F106 WeakPolarHBondContact OH-CB 3.28Å; Y39-F106 VanDerWaalsContact OH-CD2 3.31Å; Y39-F106 WeakPolarHBondContact OH-CD2 3.47Å; Y39-F106 PolarHBondContact OH-N 3.16Å; Y39-V109 HydrophobicContact CD1-CB 4.15Å; Y39-V109 HydrophobicContact CD1-CG1 4Å; Y39-V109 HydrophobicContact CD1-CG2 3.82Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 4.4Å; Y39-V109 HydrophobicContact CE1-CG2 4.29Å; Y39-V109 HydrophobicContact CG-CG2 4.06Å |
| 40 | F | 96.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148 | 176.1 | -71.4 | -91.5 | 0 | 0 | 0 | 109.9 | E6 P8 S38 Y48 R49 I51 | E6-F40 HydrophobicContact CB-CD1 4.08Å; E6-F40 WeakPolarHBondContact O-CE1 3.43Å; P8-F40 HydrophobicContact CB-CD1 4.25Å; P8-F40 HydrophobicContact CB-CE1 3.73Å; P8-F40 HydrophobicContact CB-CE2 4.23Å; P8-F40 HydrophobicContact CB-CZ 3.73Å; P8-F40 HydrophobicContact CG-CE1 4.25Å; P8-F40 HydrophobicContact CG-CZ 4.31Å; S38-F40 VanDerWaalsContact CB-CE2 3.44Å; F40-Y48 CarbonylContact O-C 3.59Å; F40-Y48 WeakPolarHBondContact O-CA 3.33Å; F40-R49 PolarHBondContact N-O 3.18Å; F40-R49 PolarHBondContact O-N 3.33Å; F40-I51 HydrophobicContact CB-CD1 4.2Å; F40-I51 HydrophobicContact CD2-CB 3.73Å; F40-I51 HydrophobicContact CD2-CD1 3.67Å; F40-I51 HydrophobicContact CD2-CG1 3.81Å; F40-I51 HydrophobicContact CE2-CB 3.81Å; F40-I51 HydrophobicContact CE2-CD1 4.24Å; F40-I51 HydrophobicContact CE2-CG1 4.36Å; F40-I51 HydrophobicContact CE2-CG2 4.41Å; F40-I51 HydrophobicContact CG-CD1 4.06Å |
| 41 | Y | 95.1 | Very high | 94 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.9 | 165.3 | 174.1 | -114.5 | 0 | 0 | 0 | 109 | A43 N46 Y48 | Y41-A43 HydrophobicContact CD1-CB 4.34Å; Y41-A43 HydrophobicContact CE1-CB 3.89Å; Y41-N46 PolarHBondContact OH-OD1 2.82Å; Y41-Y48 AromaticContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 4.03Å; Y41-Y48 AromaticContact CD2-CE1 3.6Å; Y41-Y48 HydrophobicContact CD2-CE1 3.6Å; Y41-Y48 AromaticContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CG 4.13Å; Y41-Y48 AromaticContact CD2-CZ 3.46Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.46Å; Y41-Y48 HydrophobicContact CE2-CD2 4.49Å; Y41-Y48 AromaticContact CE2-CE2 3.93Å; Y41-Y48 HydrophobicContact CE2-CE2 3.93Å; Y41-Y48 AromaticContact CE2-CZ 3.94Å; Y41-Y48 HydrophobicContact CG-CD1 4.38Å; Y41-Y48 AromaticContact CG-CE1 3.97Å; Y41-Y48 HydrophobicContact CG-CE1 3.97Å |
| 42 | D | 92.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 100 | 174.2 | -177.4 | -28.5 | 0 | 0 | 0 | 108.3 | E6 T44 R45 N46 V47 R49 | E6-D42 WeakPolarHBondContact OE1-CA 3.41Å; D42-T44 PolarHBondContact O-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CB 3.32Å; D42-T44 PolarHBondContact OD1-N 3.03Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å; D42-R45 PolarHBondContact O-N 2.75Å; D42-R45 PolarHBondContact OD1-N 3.47Å; D42-R45 IonicContact OD2-CZ 3.17Å; D42-R45 IonicContact OD2-NE 2.76Å; D42-R45 PolarHBondContact OD2-NE 3.43Å; D42-R45 IonicContact OD2-NH2 2.7Å; D42-R45 PolarHBondContact OD2-NH2 3.04Å; D42-N46 VanDerWaalsContact O-CA 3.3Å; D42-N46 WeakPolarHBondContact O-CA 3.37Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-V47 HydrophobicContact CB-CG2 4.12Å; D42-V47 PolarHBondContact N-O 2.88Å; D42-V47 PolarHBondContact O-N 2.91Å; D42-R49 IonicContact OD2-CZ 3.43Å; D42-R49 IonicContact OD2-NE 3.81Å; D42-R49 IonicContact OD2-NH2 3.19Å; D42-R49 PolarHBondContact OD2-NH2 3.25Å |
| 43 | A | 89.4 | Confident | 94.8 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 59% | 0.587 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y41 | Y41-A43 HydrophobicContact CD1-CB 4.34Å; Y41-A43 HydrophobicContact CE1-CB 3.89Å |
| 44 | T | 89.5 | Confident | 94.6 | Very high | 126 Ų | 126 | 40.5 Ų | 40.5 | 77% | 0.773 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -36.5 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 112 | D42 | D42-T44 PolarHBondContact O-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CB 3.32Å; D42-T44 PolarHBondContact OD1-N 3.03Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å |
| 45 | R | 89.9 | Confident | 94 | Very high | 128 Ų | 128 | 43.1 Ų | 43.1 | 48% | 0.483 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -3.1 | 178.5 | -69.6 | -175 | -66.5 | 177.5 | -1.8 | 113.3 | D42 V47 | D42-R45 PolarHBondContact O-N 2.75Å; D42-R45 PolarHBondContact OD1-N 3.47Å; D42-R45 IonicContact OD2-CZ 3.17Å; D42-R45 IonicContact OD2-NE 2.76Å; D42-R45 PolarHBondContact OD2-NE 3.43Å; D42-R45 IonicContact OD2-NH2 2.7Å; D42-R45 PolarHBondContact OD2-NH2 3.04Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 HydrophobicContact CB-CG2 3.75Å; R45-V47 WeakPolarHBondContact O-CG1 3.48Å; R45-V47 PolarHBondContact O-N 3.18Å |
| 46 | N | 92.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 47.1 | -173.4 | -167.5 | 29.5 | 0 | 0 | 0 | 112.4 | Y41 D42 A116 S120 | Y41-N46 PolarHBondContact OH-OD1 2.82Å; D42-N46 VanDerWaalsContact O-CA 3.3Å; D42-N46 WeakPolarHBondContact O-CA 3.37Å; D42-N46 PolarHBondContact O-N 3.1Å; N46-A116 PolarHBondContact ND2-O 3.35Å; N46-S120 PolarHBondContact ND2-OG 2.88Å |
| 47 | V | 94.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153 | -179 | -66.6 | 0 | 0 | 0 | 0 | 112 | D42 R45 R49 T63 | D42-V47 HydrophobicContact CB-CG2 4.12Å; D42-V47 PolarHBondContact N-O 2.88Å; D42-V47 PolarHBondContact O-N 2.91Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 HydrophobicContact CB-CG2 3.75Å; R45-V47 WeakPolarHBondContact O-CG1 3.48Å; R45-V47 PolarHBondContact O-N 3.18Å; V47-R49 HydrophobicContact CG2-CG 4.31Å; V47-T63 HydrophobicContact CB-CG2 3.97Å; V47-T63 HydrophobicContact CG1-CG2 4.21Å; V47-T63 HydrophobicContact CG2-CG2 4.26Å |
| 48 | Y | 96.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 54 Ų | 54 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 143 | 172.2 | -64.2 | -95.7 | 0 | 0 | 0 | 110.9 | I9 F40 Y41 V64 V109 A112 A113 A116 | I9-Y48 HydrophobicContact CD1-CD1 3.76Å; I9-Y48 HydrophobicContact CD1-CE1 3.74Å; F40-Y48 CarbonylContact O-C 3.59Å; F40-Y48 WeakPolarHBondContact O-CA 3.33Å; Y41-Y48 AromaticContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 4.03Å; Y41-Y48 AromaticContact CD2-CE1 3.6Å; Y41-Y48 HydrophobicContact CD2-CE1 3.6Å; Y41-Y48 AromaticContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CG 4.13Å; Y41-Y48 AromaticContact CD2-CZ 3.46Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.46Å; Y41-Y48 HydrophobicContact CE2-CD2 4.49Å; Y41-Y48 AromaticContact CE2-CE2 3.93Å; Y41-Y48 HydrophobicContact CE2-CE2 3.93Å; Y41-Y48 AromaticContact CE2-CZ 3.94Å; Y41-Y48 HydrophobicContact CG-CD1 4.38Å; Y41-Y48 AromaticContact CG-CE1 3.97Å; Y41-Y48 HydrophobicContact CG-CE1 3.97Å; Y48-V64 PolarHBondContact O-N 3.47Å; Y48-V109 HydrophobicContact CD1-CG1 3.89Å; Y48-V109 HydrophobicContact CG-CG1 3.71Å; Y48-A112 HydrophobicContact CD2-CB 4.3Å; Y48-A112 HydrophobicContact CE1-CB 4.17Å; Y48-A112 HydrophobicContact CE2-CB 3.62Å; Y48-A113 HydrophobicContact CD2-CB 4.01Å; Y48-A116 HydrophobicContact CE2-CB 4.31Å |
| 49 | R | 96.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.6 | -175.4 | -60.7 | -175 | -71.5 | 165.7 | -10.2 | 111.8 | E6 Y39 F40 D42 V47 I51 S62 | E6-R49 IonicContact OE1-NH2 3.43Å; E6-R49 PolarHBondContact OE1-NH2 3.36Å; E6-R49 IonicContact OE2-CZ 3.93Å; E6-R49 IonicContact OE2-NH2 2.81Å; E6-R49 PolarHBondContact OE2-NH2 3.33Å; Y39-R49 CarbonylContact C-O 3.54Å; Y39-R49 WeakPolarHBondContact CA-O 3.36Å; F40-R49 PolarHBondContact N-O 3.18Å; F40-R49 PolarHBondContact O-N 3.33Å; D42-R49 IonicContact OD2-CZ 3.43Å; D42-R49 IonicContact OD2-NE 3.81Å; D42-R49 IonicContact OD2-NH2 3.19Å; D42-R49 PolarHBondContact OD2-NH2 3.25Å; V47-R49 HydrophobicContact CG2-CG 4.31Å; R49-I51 HydrophobicContact CB-CD1 4.27Å; R49-I51 HydrophobicContact CB-CG1 4.04Å; R49-S62 CarbonylContact C-O 3.53Å; R49-S62 WeakPolarHBondContact CA-O 3.11Å |
| 50 | I | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.2 | 164.9 | -53.7 | 174.8 | 0 | 0 | 0 | 107 | V37 S38 Y39 I60 N61 S62 V64 W80 F102 F106 | V37-I50 HydrophobicContact CG1-CG2 3.67Å; S38-I50 WeakPolarHBondContact O-CA 3.37Å; Y39-I50 HydrophobicContact CD1-CD1 4.44Å; Y39-I50 HydrophobicContact CD1-CG1 3.68Å; Y39-I50 HydrophobicContact CE1-CD1 3.69Å; Y39-I50 HydrophobicContact CE1-CG1 3.43Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.43Å; I50-I60 HydrophobicContact CB-CG2 4.32Å; I50-I60 HydrophobicContact CG2-CG2 4.07Å; I50-I60 WeakPolarHBondContact O-CG2 3.3Å; I50-N61 WeakPolarHBondContact O-CA 3.32Å; I50-S62 PolarHBondContact N-O 3.31Å; I50-S62 PolarHBondContact O-N 3.5Å; I50-V64 HydrophobicContact CD1-CG2 4.1Å; I50-V64 HydrophobicContact CG1-CG2 3.8Å; I50-W80 HydrophobicContact CB-CZ2 4.38Å; I50-W80 HydrophobicContact CD1-CD2 4.5Å; I50-W80 HydrophobicContact CD1-CH2 4.31Å; I50-W80 HydrophobicContact CD1-CZ2 3.86Å; I50-W80 HydrophobicContact CG2-CH2 4.16Å; I50-W80 HydrophobicContact CG2-CZ2 4.14Å; I50-F102 HydrophobicContact CD1-CZ 4.37Å; I50-F102 HydrophobicContact CG2-CZ 4.37Å; I50-F106 HydrophobicContact CD1-CD2 3.87Å; I50-F106 HydrophobicContact CD1-CE2 3.6Å |
| 51 | I | 96.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | -178.2 | -55 | -178.6 | 0 | 0 | 0 | 109.5 | S38 F40 R49 I53 I60 | S38-I51 PolarHBondContact N-O 3.44Å; S38-I51 PolarHBondContact O-N 3.23Å; F40-I51 HydrophobicContact CB-CD1 4.2Å; F40-I51 HydrophobicContact CD2-CB 3.73Å; F40-I51 HydrophobicContact CD2-CD1 3.67Å; F40-I51 HydrophobicContact CD2-CG1 3.81Å; F40-I51 HydrophobicContact CE2-CB 3.81Å; F40-I51 HydrophobicContact CE2-CD1 4.24Å; F40-I51 HydrophobicContact CE2-CG1 4.36Å; F40-I51 HydrophobicContact CE2-CG2 4.41Å; F40-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CB-CD1 4.27Å; R49-I51 HydrophobicContact CB-CG1 4.04Å; I51-I53 HydrophobicContact CG2-CD1 3.74Å; I51-I53 HydrophobicContact CG2-CG1 4.21Å; I51-I60 WeakPolarHBondContact CA-O 3.15Å |
| 52 | C | 96.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.6 | 169.8 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | L35 T36 V37 I59 I60 | L35-C52 WeakPolarHBondContact CB-SG 3.37Å; T36-C52 PolarHBondContact O-SG 3Å; V37-C52 HydrophobicContact CG2-CB 4.12Å; C52-I59 PolarHBondContact O-N 2.85Å; C52-I60 HydrophobicContact CB-CB 3.77Å; C52-I60 HydrophobicContact CB-CD1 3.7Å; C52-I60 HydrophobicContact CB-CG1 3.83Å; C52-I60 PolarHBondContact N-O 2.99Å; C52-I60 PolarHBondContact O-N 2.65Å |
| 53 | I | 93.1 | Very high | 92.8 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 45% | 0.451 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.3 | 178.6 | -51.9 | -57 | 0 | 0 | 0 | 109 | I51 G55 A58 | I51-I53 HydrophobicContact CG2-CD1 3.74Å; I51-I53 HydrophobicContact CG2-CG1 4.21Å; I53-G55 WeakPolarHBondContact CG2-O 3.4Å; I53-A58 HydrophobicContact CD1-CB 3.75Å |
| 54 | G | 87.9 | Confident | 93.1 | Very high | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 113.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | A56 K57 | G54-A56 PolarHBondContact O-N 2.84Å; G54-K57 PolarHBondContact N-O 2.82Å; G54-K57 PolarHBondContact O-N 2.8Å; G54-K57 VanDerWaalsContact O-N 3.17Å |
| 55 | G | 84 | Confident | 93.4 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -123.3 | -171 | 0 | 0 | 0 | 0 | 0 | 110.6 | I53 | I53-G55 WeakPolarHBondContact CG2-O 3.4Š|
| 56 | A | 83.4 | Confident | 93.5 | Very high | 114 Ų | 114 | 43.1 Ų | 43.1 | 94% | 0.942 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G54 | G54-A56 PolarHBondContact O-N 2.84Š|
| 57 | K | 88.8 | Confident | 93.5 | Very high | 159 Ų | 159 | 48.6 Ų | 48.6 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.2 | -172.5 | -171.7 | 176.6 | 177 | -178.4 | 0 | 111.8 | G54 I59 | G54-K57 PolarHBondContact N-O 2.82Å; G54-K57 PolarHBondContact O-N 2.8Å; G54-K57 VanDerWaalsContact O-N 3.17Å; K57-I59 PolarHBondContact O-N 2.9Å |
| 58 | A | 91.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 117 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I53 | I53-A58 HydrophobicContact CD1-CB 3.75Å |
| 59 | I | 94.2 | Very high | 93.5 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -40.7 | 177.6 | -67.3 | 169.6 | 0 | 0 | 0 | 110.3 | V16 Q18 A30 L35 C52 K57 | V16-I59 HydrophobicContact CG1-CG2 3.96Å; Q18-I59 PolarHBondContact NE2-O 3.3Å; A30-I59 HydrophobicContact CB-CG2 3.47Å; A30-I59 VanDerWaalsContact CB-CG2 3.47Å; A30-I59 WeakPolarHBondContact O-CD1 3.25Å; L35-I59 HydrophobicContact CD1-CD1 3.38Å; C52-I59 PolarHBondContact O-N 2.85Å; K57-I59 PolarHBondContact O-N 2.9Å |
| 60 | I | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.4 | 171.1 | -54.6 | 168.2 | 0 | 0 | 0 | 107.1 | V16 V37 I50 I51 C52 W80 Y89 L91 | V16-I60 HydrophobicContact CB-CD1 4.46Å; V16-I60 HydrophobicContact CG1-CD1 3.53Å; V16-I60 HydrophobicContact CG1-CG1 3.85Å; V16-I60 HydrophobicContact CG2-CD1 4.05Å; V37-I60 HydrophobicContact CG1-CD1 4.41Å; I50-I60 HydrophobicContact CB-CG2 4.32Å; I50-I60 HydrophobicContact CG2-CG2 4.07Å; I50-I60 WeakPolarHBondContact O-CG2 3.3Å; I51-I60 WeakPolarHBondContact CA-O 3.15Å; C52-I60 HydrophobicContact CB-CB 3.77Å; C52-I60 HydrophobicContact CB-CD1 3.7Å; C52-I60 HydrophobicContact CB-CG1 3.83Å; C52-I60 PolarHBondContact N-O 2.99Å; C52-I60 PolarHBondContact O-N 2.65Å; I60-W80 HydrophobicContact CD1-CH2 4.05Å; I60-W80 HydrophobicContact CG2-CH2 4.33Å; I60-W80 HydrophobicContact CG2-CZ2 3.88Å; I60-Y89 HydrophobicContact CB-CE1 4.41Å; I60-Y89 HydrophobicContact CD1-CD1 4.48Å; I60-Y89 HydrophobicContact CG1-CD1 3.84Å; I60-Y89 HydrophobicContact CG1-CE1 3.97Å; I60-Y89 HydrophobicContact CG2-CD1 4.42Å; I60-Y89 HydrophobicContact CG2-CE1 4.31Å; I60-Y89 HydrophobicContact CG2-CE2 4.43Å; I60-L91 HydrophobicContact CD1-CD2 4.06Å |
| 61 | N | 95.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 70.3 | 167.3 | -176.6 | 13.4 | 0 | 0 | 0 | 107.3 | I50 | I50-N61 WeakPolarHBondContact O-CA 3.32Å |
| 62 | S | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.7 | -171.7 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | R49 I50 W80 D82 | R49-S62 CarbonylContact C-O 3.53Å; R49-S62 WeakPolarHBondContact CA-O 3.11Å; I50-S62 PolarHBondContact N-O 3.31Å; I50-S62 PolarHBondContact O-N 3.5Å; S62-W80 PolarHBondContact OG-NE1 2.94Å; S62-D82 VanDerWaalsContact CA-OD2 3.28Å; S62-D82 WeakPolarHBondContact CA-OD2 3.34Å; S62-D82 WeakPolarHBondContact CB-OD2 3.44Å; S62-D82 PolarHBondContact OG-OD2 3.39Å |
| 63 | T | 96.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.3 | 174.8 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | V47 T65 M68 | V47-T63 HydrophobicContact CB-CG2 3.97Å; V47-T63 HydrophobicContact CG1-CG2 4.21Å; V47-T63 HydrophobicContact CG2-CG2 4.26Å; T63-T65 PolarHBondContact O-N 2.94Å; T63-M68 WeakPolarHBondContact O-CE 3.25Å; T63-M68 VanDerWaalsContact O-SD 3.37Å |
| 64 | V | 97 | Very high | 93.8 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 123.3 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 109 | Y48 I50 V109 K110 | Y48-V64 PolarHBondContact O-N 3.47Å; I50-V64 HydrophobicContact CD1-CG2 4.1Å; I50-V64 HydrophobicContact CG1-CG2 3.8Å; V64-V109 HydrophobicContact CB-CG1 4.09Å; V64-V109 HydrophobicContact CG1-CG1 4.16Å; V64-V109 HydrophobicContact CG2-CG1 3.91Å; V64-K110 HydrophobicContact CG1-CB 4.29Å |
| 65 | T | 94.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | trans | -112.7 | 156.3 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | T63 N67 M68 | T63-T65 PolarHBondContact O-N 2.94Å; T65-N67 PolarHBondContact O-N 3.5Å; T65-N67 VanDerWaalsContact O-N 3.07Å; T65-M68 HydrophobicContact CG2-CE 4.29Å; T65-M68 PolarHBondContact N-SD 3.46Å; T65-M68 WeakPolarHBondContact O-CB 3.37Å; T65-M68 PolarHBondContact O-N 3.31Å; T65-M68 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 66 | P | 92.5 | Very high | 94.8 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.2 | -176.9 | -27.1 | 36.5 | 0 | 0 | 0 | 114.6 | K110 R114 | P66-K110 WeakPolarHBondContact O-CD 3.13Å; P66-R114 HydrophobicContact CB-CB 4.3Å; P66-R114 HydrophobicContact CB-CG 4.42Å; P66-R114 HydrophobicContact CG-CB 4.15Å; P66-R114 HydrophobicContact CG-CG 4.45Å |
| 67 | N | 91.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 60.1 Ų | 60.1 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1 | -178.2 | -61.3 | -6.7 | 0 | 0 | 0 | 112.9 | T65 | T65-N67 PolarHBondContact O-N 3.5Å; T65-N67 VanDerWaalsContact O-N 3.07Å |
| 68 | M | 95.6 | Very high | 96 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | trans | -75.2 | 144.2 | 174.3 | -79.6 | 178.5 | 176.9 | 0 | 0 | 111 | T63 T65 D82 F106 K110 | T63-M68 WeakPolarHBondContact O-CE 3.25Å; T63-M68 VanDerWaalsContact O-SD 3.37Å; T65-M68 HydrophobicContact CG2-CE 4.29Å; T65-M68 PolarHBondContact N-SD 3.46Å; T65-M68 WeakPolarHBondContact O-CB 3.37Å; T65-M68 PolarHBondContact O-N 3.31Å; T65-M68 WeakPolarHBondContact OG1-CG 3.47Å; M68-D82 HydrophobicContact CE-CB 4.11Å; M68-F106 HydrophobicContact CB-CE1 4.15Å; M68-F106 HydrophobicContact CB-CZ 3.91Å; M68-K110 VanDerWaalsContact O-CD 3.28Å; M68-K110 WeakPolarHBondContact O-CD 3.45Å | ||
| 69 | T | 96.8 | Very high | 96.3 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | trans | -127.4 | 132 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | W80 | T69-W80 VanDerWaalsContact O-CB 3.27Å; T69-W80 WeakPolarHBondContact O-CB 3.45Å | ||
| 70 | F | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.8 | 168 | -176.9 | -95.2 | 0 | 0 | 0 | 109.5 | K72 Q79 W80 F93 L99 F102 A103 F106 | F70-K72 HydrophobicContact CE1-CG 4.36Å; F70-Q79 CarbonylContact C-O 3.49Å; F70-Q79 WeakPolarHBondContact CA-O 3.44Å; F70-W80 HydrophobicContact CD2-CB 4.37Å; F70-W80 AromaticContact CD2-CE3 3.82Å; F70-W80 HydrophobicContact CD2-CE3 3.82Å; F70-W80 AromaticContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CZ3 4.32Å; F70-F93 HydrophobicContact CZ-CE2 4.35Å; F70-L99 HydrophobicContact CE1-CD1 3.79Å; F70-L99 HydrophobicContact CZ-CD1 3.83Å; F70-F102 HydrophobicContact CD2-CD1 4.24Å; F70-F102 AromaticContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CE1-CD1 4.18Å; F70-F102 AromaticContact CE2-CD1 3.73Å; F70-F102 HydrophobicContact CE2-CD1 3.73Å; F70-F102 AromaticContact CE2-CE1 3.59Å; F70-F102 HydrophobicContact CE2-CE1 3.59Å; F70-F102 AromaticContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CE1 4.06Å; F70-A103 HydrophobicContact CD1-CB 3.68Å; F70-A103 HydrophobicContact CE1-CB 3.82Å; F70-F106 HydrophobicContact CB-CB 4.09Å; F70-F106 HydrophobicContact CB-CD1 3.66Å; F70-F106 HydrophobicContact CB-CD2 3.72Å; F70-F106 HydrophobicContact CB-CE1 3.95Å; F70-F106 HydrophobicContact CB-CE2 4Å; F70-F106 HydrophobicContact CB-CG 3.55Å; F70-F106 HydrophobicContact CB-CZ 4.11Å; F70-F106 HydrophobicContact CD2-CD2 4.22Å; F70-F106 HydrophobicContact CD2-CE2 4.47Å; F70-F106 HydrophobicContact CG-CD2 4.22Å; F70-F106 HydrophobicContact CG-CG 4.3Å |
| 71 | T | 97.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 54 Ų | 54 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.8 | -176.8 | -54 | 0 | 0 | 0 | 0 | 109.8 | T73 G78 Q79 | T71-T73 HydrophobicContact CG2-CG2 4.05Å; T71-G78 CarbonylContact O-C 3.57Å; T71-G78 WeakPolarHBondContact O-CA 3.09Å; T71-Q79 PolarHBondContact N-O 3.45Å; T71-Q79 PolarHBondContact O-N 3.37Å |
| 72 | K | 98.1 | Very high | 96.5 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.2 | 170.1 | -58 | -178.2 | -173.6 | 179.6 | 0 | 108.2 | F70 L99 T100 A103 | F70-K72 HydrophobicContact CE1-CG 4.36Å; K72-L99 HydrophobicContact CB-CD2 4.31Å; K72-L99 HydrophobicContact CD-CD2 4.15Å; K72-L99 HydrophobicContact CD-CG 4.24Å; K72-L99 HydrophobicContact CG-CD1 4.28Å; K72-L99 HydrophobicContact CG-CD2 4.13Å; K72-L99 HydrophobicContact CG-CG 4.2Å; K72-T100 PolarHBondContact NZ-OG1 3.41Å; K72-A103 VanDerWaalsContact CE-CB 3.47Å |
| 73 | T | 96.2 | Very high | 96.3 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -6.1 | -178.4 | 53 | 0 | 0 | 0 | 0 | 113.3 | T71 F77 Q79 | T71-T73 HydrophobicContact CG2-CG2 4.05Å; T73-F77 PolarHBondContact N-O 2.97Å; T73-F77 VanDerWaalsContact OG1-CD1 3.29Å; T73-F77 WeakPolarHBondContact OG1-CD1 3.19Å; T73-Q79 HydrophobicContact CG2-CG 4.11Å; T73-Q79 PolarHBondContact OG1-OE1 3.27Å |
| 74 | S | 96.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | -178.8 | 163.3 | 82.7 | 0 | 0 | 0 | 0 | 110.7 | K76 F77 L99 | S74-K76 PolarHBondContact O-N 2.83Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 3.45Å; S74-F77 PolarHBondContact N-O 3.49Å; S74-F77 VanDerWaalsContact N-O 3.15Å; S74-F77 WeakPolarHBondContact OG-CB 3.37Å; S74-F77 PolarHBondContact OG-N 2.92Å; S74-L99 WeakPolarHBondContact O-CD2 3.44Å |
| 75 | Q | 94.2 | Very high | 95.8 | Very high | 126 Ų | 126 | 66.4 Ų | 66.4 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30 | 178.9 | -170.8 | 176.1 | 32.4 | 0 | 0 | 113.6 | E96 L99 | Q75-E96 HydrophobicContact CG-CB 4.01Å; Q75-E96 HydrophobicContact CG-CG 4.13Å; Q75-E96 WeakPolarHBondContact CG-OE2 3.47Å; Q75-E96 PolarHBondContact NE2-OE2 3.28Å; Q75-E96 WeakPolarHBondContact O-CA 3.48Å; Q75-E96 WeakPolarHBondContact O-CB 3.21Å; Q75-L99 WeakPolarHBondContact O-CD2 3.41Å |
| 76 | K | 97.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 69.4 Ų | 69.4 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 11.8 | -176 | -61.2 | -169.4 | -64.7 | -177.7 | 0 | 113.4 | S74 G92 F93 A94 | S74-K76 PolarHBondContact O-N 2.83Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 3.45Å; K76-G92 CarbonylContact O-C 3.53Å; K76-G92 WeakPolarHBondContact O-CA 3.35Å; K76-F93 PolarHBondContact O-N 2.93Å; K76-A94 WeakPolarHBondContact CD-O 3.38Å |
| 77 | F | 98.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 68.8 Ų | 68.8 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.5 | -177.2 | -170 | -88.8 | 0 | 0 | 0 | 111.5 | F17 W27 T73 S74 Q79 L91 | F17-F77 AromaticContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CE2-CE2 4.11Å; F17-F77 HydrophobicContact CG-CE2 4.22Å; W27-F77 HydrophobicContact CD2-CZ 4.06Å; W27-F77 AromaticContact CE2-CZ 3.91Å; W27-F77 HydrophobicContact CE3-CZ 4.23Å; W27-F77 HydrophobicContact CH2-CE1 4.23Å; W27-F77 HydrophobicContact CH2-CZ 4.09Å; W27-F77 AromaticContact CZ2-CE1 3.82Å; W27-F77 HydrophobicContact CZ2-CE1 3.82Å; W27-F77 AromaticContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ3-CZ 4.25Å; T73-F77 PolarHBondContact N-O 2.97Å; T73-F77 VanDerWaalsContact OG1-CD1 3.29Å; T73-F77 WeakPolarHBondContact OG1-CD1 3.19Å; S74-F77 PolarHBondContact N-O 3.49Å; S74-F77 VanDerWaalsContact N-O 3.15Å; S74-F77 WeakPolarHBondContact OG-CB 3.37Å; S74-F77 PolarHBondContact OG-N 2.92Å; F77-Q79 HydrophobicContact CE1-CB 4.49Å; F77-L91 WeakPolarHBondContact CA-O 3.38Å; F77-L91 WeakPolarHBondContact CD2-O 3.28Å |
| 78 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T71 G90 L91 | T71-G78 CarbonylContact O-C 3.57Å; T71-G78 WeakPolarHBondContact O-CA 3.09Å; G78-G90 CarbonylContact O-C 3.56Å; G78-G90 WeakPolarHBondContact O-CA 3.5Å; G78-L91 PolarHBondContact N-O 3.44Å; G78-L91 VanDerWaalsContact N-O 3.12Å; G78-L91 PolarHBondContact O-N 2.85Å |
| 79 | Q | 98.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.7 | -171.2 | 62.8 | -175.2 | 77.1 | 0 | 0 | 112.5 | W27 F70 T71 T73 F77 V88 Y89 | W27-Q79 HydrophobicContact CH2-CB 3.79Å; W27-Q79 HydrophobicContact CZ2-CB 4.18Å; F70-Q79 CarbonylContact C-O 3.49Å; F70-Q79 WeakPolarHBondContact CA-O 3.44Å; T71-Q79 PolarHBondContact N-O 3.45Å; T71-Q79 PolarHBondContact O-N 3.37Å; T73-Q79 HydrophobicContact CG2-CG 4.11Å; T73-Q79 PolarHBondContact OG1-OE1 3.27Å; F77-Q79 HydrophobicContact CE1-CB 4.49Å; Q79-V88 HydrophobicContact CB-CG1 4.37Å; Q79-Y89 CarbonylContact C-O 3.58Å; Q79-Y89 WeakPolarHBondContact CA-O 3.48Å; Q79-Y89 VanDerWaalsContact CB-O 3.29Å; Q79-Y89 WeakPolarHBondContact CB-O 3.45Å |
| 80 | W | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.011 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.4 | 166.6 | 73.5 | 102 | 0 | 0 | 0 | 110.5 | I50 I60 S62 T69 F70 V88 Y89 L91 F102 F106 | I50-W80 HydrophobicContact CB-CZ2 4.38Å; I50-W80 HydrophobicContact CD1-CD2 4.5Å; I50-W80 HydrophobicContact CD1-CH2 4.31Å; I50-W80 HydrophobicContact CD1-CZ2 3.86Å; I50-W80 HydrophobicContact CG2-CH2 4.16Å; I50-W80 HydrophobicContact CG2-CZ2 4.14Å; I60-W80 HydrophobicContact CD1-CH2 4.05Å; I60-W80 HydrophobicContact CG2-CH2 4.33Å; I60-W80 HydrophobicContact CG2-CZ2 3.88Å; S62-W80 PolarHBondContact OG-NE1 2.94Å; T69-W80 VanDerWaalsContact O-CB 3.27Å; T69-W80 WeakPolarHBondContact O-CB 3.45Å; F70-W80 HydrophobicContact CD2-CB 4.37Å; F70-W80 AromaticContact CD2-CE3 3.82Å; F70-W80 HydrophobicContact CD2-CE3 3.82Å; F70-W80 AromaticContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CZ3 4.32Å; W80-V88 WeakPolarHBondContact O-CA 3.49Å; W80-V88 WeakPolarHBondContact O-CG1 3.35Å; W80-Y89 AromaticContact CE2-CD2 3.65Å; W80-Y89 VanDerWaalsContact CH2-CB 3.48Å; W80-Y89 HydrophobicContact CH2-CD2 4.47Å; W80-Y89 HydrophobicContact CH2-CG 4.12Å; W80-Y89 VanDerWaalsContact CZ2-CB 3.46Å; W80-Y89 AromaticContact CZ2-CD2 3.62Å; W80-Y89 HydrophobicContact CZ2-CD2 3.62Å; W80-Y89 AromaticContact CZ2-CG 3.7Å; W80-Y89 HydrophobicContact CZ2-CG 3.7Å; W80-Y89 PolarHBondContact N-O 3.49Å; W80-Y89 AromaticContact NE1-CD2 3.68Å; W80-Y89 PolarHBondContact O-N 2.8Å; W80-L91 HydrophobicContact CH2-CD1 4.07Å; W80-L91 HydrophobicContact CH2-CG 4.28Å; W80-L91 HydrophobicContact CZ3-CD1 3.64Å; W80-L91 HydrophobicContact CZ3-CG 3.78Å; W80-F102 HydrophobicContact CZ3-CE1 4.43Å; W80-F106 HydrophobicContact CB-CE2 4.22Å; W80-F106 HydrophobicContact CB-CZ 4.19Å; W80-F106 HydrophobicContact CD2-CE2 4.32Å; W80-F106 HydrophobicContact CG-CE2 4.04Å; W80-F106 HydrophobicContact CG-CZ 4.32Å |
| 81 | A | 96.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V88 | A81-V88 HydrophobicContact CB-CG2 4.18Å |
| 82 | D | 96.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 98.9 | 171.4 | -172.7 | -24.5 | 0 | 0 | 0 | 109.7 | S62 M68 R84 A85 N86 T87 Y89 | S62-D82 VanDerWaalsContact CA-OD2 3.28Å; S62-D82 WeakPolarHBondContact CA-OD2 3.34Å; S62-D82 WeakPolarHBondContact CB-OD2 3.44Å; S62-D82 PolarHBondContact OG-OD2 3.39Å; M68-D82 HydrophobicContact CE-CB 4.11Å; D82-R84 PolarHBondContact O-N 2.85Å; D82-R84 WeakPolarHBondContact OD1-CA 3.34Å; D82-R84 WeakPolarHBondContact OD1-CB 3.32Å; D82-R84 PolarHBondContact OD1-N 2.83Å; D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 CarbonylContact O-C 3.55Å; D82-A85 PolarHBondContact O-N 2.92Å; D82-A85 PolarHBondContact OD1-N 2.72Å; D82-N86 WeakPolarHBondContact O-CA 3.5Å; D82-N86 PolarHBondContact O-N 2.9Å; D82-T87 PolarHBondContact N-O 3.39Å; D82-T87 PolarHBondContact O-N 3.08Å; D82-Y89 HydrophobicContact CB-CD2 4.15Å; D82-Y89 HydrophobicContact CB-CE2 3.83Å |
| 83 | S | 92.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 51.4 Ų | 51.4 | 79% | 0.79 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.2 | 179.3 | -50 | 0 | 0 | 0 | 0 | 112.9 | N86 | S83-N86 PolarHBondContact O-N 2.83Š|
| 84 | R | 92.5 | Very high | 96.4 | Very high | 203 Ų | 203 | 51.5 Ų | 51.5 | 77% | 0.766 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -40.4 | 178.3 | 175 | -177.5 | -78.4 | -130.4 | -1.2 | 110.7 | D82 N86 | D82-R84 PolarHBondContact O-N 2.85Å; D82-R84 WeakPolarHBondContact OD1-CA 3.34Å; D82-R84 WeakPolarHBondContact OD1-CB 3.32Å; D82-R84 PolarHBondContact OD1-N 2.83Å; R84-N86 VanDerWaalsContact C-N 3.3Å |
| 85 | A | 91.6 | Very high | 96.4 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D82 T87 Y89 | D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 CarbonylContact O-C 3.55Å; D82-A85 PolarHBondContact O-N 2.92Å; D82-A85 PolarHBondContact OD1-N 2.72Å; A85-T87 HydrophobicContact CB-CG2 3.83Å; A85-T87 PolarHBondContact O-N 2.79Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å |
| 86 | N | 93.3 | Very high | 96.6 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 40 | -175.4 | -168.4 | 19.5 | 0 | 0 | 0 | 113.5 | K24 D82 S83 R84 | K24-N86 PolarHBondContact NZ-O 3.21Å; D82-N86 WeakPolarHBondContact O-CA 3.5Å; D82-N86 PolarHBondContact O-N 2.9Å; S83-N86 PolarHBondContact O-N 2.83Å; R84-N86 VanDerWaalsContact C-N 3.3Å |
| 87 | T | 95 | Very high | 96.5 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163 | -176.8 | -166.5 | 0 | 0 | 0 | 0 | 111 | D82 A85 Y89 | D82-T87 PolarHBondContact N-O 3.39Å; D82-T87 PolarHBondContact O-N 3.08Å; A85-T87 HydrophobicContact CB-CG2 3.83Å; A85-T87 PolarHBondContact O-N 2.79Å; T87-Y89 HydrophobicContact CG2-CD1 4.43Å; T87-Y89 HydrophobicContact CG2-CD2 4.05Å; T87-Y89 HydrophobicContact CG2-CE1 3.88Å; T87-Y89 HydrophobicContact CG2-CE2 3.46Å; T87-Y89 VanDerWaalsContact CG2-CE2 3.46Å |
| 88 | V | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.8 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | Q18 I19 W27 Q79 W80 A81 | Q18-V88 WeakPolarHBondContact CA-O 3.5Å; I19-V88 HydrophobicContact CB-CB 4.07Å; I19-V88 HydrophobicContact CG2-CB 3.76Å; I19-V88 HydrophobicContact CG2-CG2 3.94Å; I19-V88 PolarHBondContact N-O 3.22Å; W27-V88 HydrophobicContact CH2-CG1 3.91Å; Q79-V88 HydrophobicContact CB-CG1 4.37Å; W80-V88 WeakPolarHBondContact O-CA 3.49Å; W80-V88 WeakPolarHBondContact O-CG1 3.35Å; A81-V88 HydrophobicContact CB-CG2 4.18Å |
| 89 | Y | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.7 | 177.2 | -63.9 | -75.5 | 0 | 0 | 0 | 109.9 | Q18 I60 Q79 W80 D82 A85 T87 | Q18-Y89 HydrophobicContact CG-CD1 3.66Å; Q18-Y89 HydrophobicContact CG-CE1 3.86Å; I60-Y89 HydrophobicContact CB-CE1 4.41Å; I60-Y89 HydrophobicContact CD1-CD1 4.48Å; I60-Y89 HydrophobicContact CG1-CD1 3.84Å; I60-Y89 HydrophobicContact CG1-CE1 3.97Å; I60-Y89 HydrophobicContact CG2-CD1 4.42Å; I60-Y89 HydrophobicContact CG2-CE1 4.31Å; I60-Y89 HydrophobicContact CG2-CE2 4.43Å; Q79-Y89 CarbonylContact C-O 3.58Å; Q79-Y89 WeakPolarHBondContact CA-O 3.48Å; Q79-Y89 VanDerWaalsContact CB-O 3.29Å; Q79-Y89 WeakPolarHBondContact CB-O 3.45Å; W80-Y89 AromaticContact CE2-CD2 3.65Å; W80-Y89 VanDerWaalsContact CH2-CB 3.48Å; W80-Y89 HydrophobicContact CH2-CD2 4.47Å; W80-Y89 HydrophobicContact CH2-CG 4.12Å; W80-Y89 VanDerWaalsContact CZ2-CB 3.46Å; W80-Y89 AromaticContact CZ2-CD2 3.62Å; W80-Y89 HydrophobicContact CZ2-CD2 3.62Å; W80-Y89 AromaticContact CZ2-CG 3.7Å; W80-Y89 HydrophobicContact CZ2-CG 3.7Å; W80-Y89 PolarHBondContact N-O 3.49Å; W80-Y89 AromaticContact NE1-CD2 3.68Å; W80-Y89 PolarHBondContact O-N 2.8Å; D82-Y89 HydrophobicContact CB-CD2 4.15Å; D82-Y89 HydrophobicContact CB-CE2 3.83Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å; T87-Y89 HydrophobicContact CG2-CD1 4.43Å; T87-Y89 HydrophobicContact CG2-CD2 4.05Å; T87-Y89 HydrophobicContact CG2-CE1 3.88Å; T87-Y89 HydrophobicContact CG2-CE2 3.46Å; T87-Y89 VanDerWaalsContact CG2-CE2 3.46Å |
| 90 | G | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F17 G78 | F17-G90 PolarHBondContact N-O 3.5Å; F17-G90 PolarHBondContact O-N 3.29Å; G78-G90 CarbonylContact O-C 3.56Å; G78-G90 WeakPolarHBondContact O-CA 3.5Å |
| 91 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123 | 179.8 | -64.3 | 178 | 0 | 0 | 0 | 110.3 | A14 H15 V16 V37 I60 F77 G78 W80 F93 F102 | A14-L91 HydrophobicContact CB-CB 4.12Å; A14-L91 HydrophobicContact CB-CD2 4.15Å; H15-L91 WeakPolarHBondContact O-CA 3.39Å; V16-L91 HydrophobicContact CB-CD2 4.34Å; V16-L91 HydrophobicContact CG1-CD2 4.35Å; V16-L91 HydrophobicContact CG2-CD2 3.81Å; V37-L91 HydrophobicContact CG1-CD1 4.14Å; V37-L91 HydrophobicContact CG2-CD2 3.91Å; I60-L91 HydrophobicContact CD1-CD2 4.06Å; F77-L91 WeakPolarHBondContact CA-O 3.38Å; F77-L91 WeakPolarHBondContact CD2-O 3.28Å; G78-L91 PolarHBondContact N-O 3.44Å; G78-L91 VanDerWaalsContact N-O 3.12Å; G78-L91 PolarHBondContact O-N 2.85Å; W80-L91 HydrophobicContact CH2-CD1 4.07Å; W80-L91 HydrophobicContact CH2-CG 4.28Å; W80-L91 HydrophobicContact CZ3-CD1 3.64Å; W80-L91 HydrophobicContact CZ3-CG 3.78Å; L91-F93 HydrophobicContact CB-CD2 4.37Å; L91-F93 HydrophobicContact CB-CE1 4.45Å; L91-F93 HydrophobicContact CB-CE2 3.55Å; L91-F93 HydrophobicContact CB-CZ 3.61Å; L91-F93 HydrophobicContact CD1-CE2 4.47Å; L91-F93 HydrophobicContact CD1-CZ 3.77Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; L91-F102 HydrophobicContact CD1-CD1 4.19Å; L91-F102 HydrophobicContact CD1-CD2 4.45Å; L91-F102 HydrophobicContact CD1-CE1 3.59Å; L91-F102 HydrophobicContact CD1-CE2 3.88Å; L91-F102 HydrophobicContact CD1-CZ 3.41Å; L91-F102 VanDerWaalsContact CD1-CZ 3.41Å |
| 92 | G | 98.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | A14 H15 K76 | A14-G92 CarbonylContact C-O 3.6Å; A14-G92 WeakPolarHBondContact CA-O 3.46Å; H15-G92 PolarHBondContact N-O 3.49Å; H15-G92 PolarHBondContact O-N 3.44Å; K76-G92 CarbonylContact O-C 3.53Å; K76-G92 WeakPolarHBondContact O-CA 3.35Å |
| 93 | F | 98.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 162.1 | -176.1 | -60.8 | -86.5 | 0 | 0 | 0 | 112.6 | T12 A14 F70 K76 L91 Q98 L99 F102 | T12-F93 HydrophobicContact CG2-CD1 4.5Å; T12-F93 HydrophobicContact CG2-CE1 3.8Å; A14-F93 HydrophobicContact CB-CD1 3.81Å; A14-F93 HydrophobicContact CB-CE1 3.79Å; A14-F93 HydrophobicContact CB-CG 4.4Å; A14-F93 HydrophobicContact CB-CZ 4.36Å; F70-F93 HydrophobicContact CZ-CE2 4.35Å; K76-F93 PolarHBondContact O-N 2.93Å; L91-F93 HydrophobicContact CB-CD2 4.37Å; L91-F93 HydrophobicContact CB-CE1 4.45Å; L91-F93 HydrophobicContact CB-CE2 3.55Å; L91-F93 HydrophobicContact CB-CZ 3.61Å; L91-F93 HydrophobicContact CD1-CE2 4.47Å; L91-F93 HydrophobicContact CD1-CZ 3.77Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; F93-Q98 HydrophobicContact CB-CB 3.99Å; F93-Q98 HydrophobicContact CD1-CB 3.96Å; F93-Q98 HydrophobicContact CG-CB 4.25Å; F93-L99 HydrophobicContact CB-CB 4.44Å; F93-L99 HydrophobicContact CD2-CB 3.71Å; F93-L99 HydrophobicContact CD2-CD1 3.64Å; F93-L99 HydrophobicContact CD2-CG 4.28Å; F93-L99 HydrophobicContact CE2-CB 4.26Å; F93-L99 HydrophobicContact CE2-CD1 3.51Å; F93-L99 HydrophobicContact CG-CB 4.2Å; F93-F102 HydrophobicContact CE1-CB 3.87Å; F93-F102 HydrophobicContact CE1-CD2 4.22Å; F93-F102 HydrophobicContact CE1-CG 4.02Å; F93-F102 HydrophobicContact CE2-CB 4.49Å; F93-F102 HydrophobicContact CZ-CB 3.63Å; F93-F102 AromaticContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD2 4.09Å; F93-F102 AromaticContact CZ-CG 3.57Å; F93-F102 HydrophobicContact CZ-CG 3.57Å |
| 94 | A | 97.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 63% | 0.628 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -73.4 | -32.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | K76 | K76-A94 WeakPolarHBondContact CD-O 3.38Š|
| 95 | S | 97.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -137.7 | 159.1 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | Q97 Q98 L99 | S95-Q97 PolarHBondContact O-N 3.32Å; S95-Q98 PolarHBondContact O-N 3.03Å; S95-Q98 PolarHBondContact OG-N 3.01Å; S95-L99 PolarHBondContact O-N 3.28Å |
| 96 | E | 97.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.3 | -36.1 | 173 | -178.2 | 173.8 | 176.8 | 0 | 0 | 111.9 | Q75 Q98 L99 T100 | Q75-E96 HydrophobicContact CG-CB 4.01Å; Q75-E96 HydrophobicContact CG-CG 4.13Å; Q75-E96 WeakPolarHBondContact CG-OE2 3.47Å; Q75-E96 PolarHBondContact NE2-OE2 3.28Å; Q75-E96 WeakPolarHBondContact O-CA 3.48Å; Q75-E96 WeakPolarHBondContact O-CB 3.21Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.04Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.93Å; E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 PolarHBondContact O-OG1 2.87Å |
| 97 | Q | 97.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.3 | -42.8 | 177 | -168.9 | -173.3 | 11.5 | 0 | 0 | 111.8 | S95 T100 Q101 | S95-Q97 PolarHBondContact O-N 3.32Å; Q97-T100 PolarHBondContact O-N 3.34Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 2.83Å |
| 98 | Q | 97.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 177.1 | -74.2 | 177 | -9.3 | 0 | 0 | 112.3 | F93 S95 E96 F102 | F93-Q98 HydrophobicContact CB-CB 3.99Å; F93-Q98 HydrophobicContact CD1-CB 3.96Å; F93-Q98 HydrophobicContact CG-CB 4.25Å; S95-Q98 PolarHBondContact O-N 3.03Å; S95-Q98 PolarHBondContact OG-N 3.01Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.04Å; Q98-F102 WeakPolarHBondContact O-CB 3.42Å; Q98-F102 PolarHBondContact O-N 3.06Å |
| 99 | L | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 173.5 | 171.8 | 66.8 | 0 | 0 | 0 | 110.8 | F70 K72 S74 Q75 F93 S95 E96 F102 A103 | F70-L99 HydrophobicContact CE1-CD1 3.79Å; F70-L99 HydrophobicContact CZ-CD1 3.83Å; K72-L99 HydrophobicContact CB-CD2 4.31Å; K72-L99 HydrophobicContact CD-CD2 4.15Å; K72-L99 HydrophobicContact CD-CG 4.24Å; K72-L99 HydrophobicContact CG-CD1 4.28Å; K72-L99 HydrophobicContact CG-CD2 4.13Å; K72-L99 HydrophobicContact CG-CG 4.2Å; S74-L99 WeakPolarHBondContact O-CD2 3.44Å; Q75-L99 WeakPolarHBondContact O-CD2 3.41Å; F93-L99 HydrophobicContact CB-CB 4.44Å; F93-L99 HydrophobicContact CD2-CB 3.71Å; F93-L99 HydrophobicContact CD2-CD1 3.64Å; F93-L99 HydrophobicContact CD2-CG 4.28Å; F93-L99 HydrophobicContact CE2-CB 4.26Å; F93-L99 HydrophobicContact CE2-CD1 3.51Å; F93-L99 HydrophobicContact CG-CB 4.2Å; S95-L99 PolarHBondContact O-N 3.28Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.93Å; L99-F102 PolarHBondContact O-N 2.92Å; L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.09Å |
| 100 | T | 97.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.233 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | -179.7 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | K72 E96 Q97 F102 A103 E104 | K72-T100 PolarHBondContact NZ-OG1 3.41Å; E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 PolarHBondContact O-OG1 2.87Å; Q97-T100 PolarHBondContact O-N 3.34Å; T100-F102 VanDerWaalsContact C-N 3.31Å; T100-F102 PolarHBondContact O-N 3.37Å; T100-A103 PolarHBondContact O-N 3.48Å; T100-A103 VanDerWaalsContact O-N 3.14Å; T100-E104 WeakPolarHBondContact CG2-OE1 3.26Å; T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 2.79Å |
| 101 | Q | 98 | Very high | 97.6 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.6 | -72.8 | 174.8 | 15.8 | 0 | 0 | 112.4 | F10 Q97 A103 E104 K105 | F10-Q101 HydrophobicContact CZ-CB 4.4Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 2.83Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.31Å; Q101-E104 PolarHBondContact O-N 2.56Å; Q101-K105 WeakPolarHBondContact O-CB 3.37Å; Q101-K105 WeakPolarHBondContact O-CG 3.26Å; Q101-K105 PolarHBondContact O-N 2.89Å |
| 102 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.7 | -173.6 | -90.2 | 0 | 0 | 0 | 112 | F10 T12 V37 Y39 I50 F70 W80 L91 F93 Q98 L99 T100 F106 | F10-F102 HydrophobicContact CE1-CD2 4.14Å; T12-F102 HydrophobicContact CG2-CD2 3.7Å; T12-F102 HydrophobicContact CG2-CE2 4.34Å; V37-F102 HydrophobicContact CG1-CE2 3.94Å; V37-F102 HydrophobicContact CG1-CZ 4.3Å; Y39-F102 HydrophobicContact CD2-CE2 4.47Å; Y39-F102 AromaticContact CE2-CD2 3.83Å; Y39-F102 HydrophobicContact CE2-CD2 3.83Å; Y39-F102 AromaticContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CZ 4.02Å; Y39-F102 AromaticContact CZ-CE2 3.79Å; Y39-F102 AromaticContact CZ-CZ 3.74Å; Y39-F102 VanDerWaalsContact OH-CE1 3.27Å; Y39-F102 WeakPolarHBondContact OH-CE1 3.29Å; Y39-F102 WeakPolarHBondContact OH-CZ 3.37Å; Y39-F102 PolarHBondContact OH-O 3.1Å; I50-F102 HydrophobicContact CD1-CZ 4.37Å; I50-F102 HydrophobicContact CG2-CZ 4.37Å; F70-F102 HydrophobicContact CD2-CD1 4.24Å; F70-F102 AromaticContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CE1-CD1 4.18Å; F70-F102 AromaticContact CE2-CD1 3.73Å; F70-F102 HydrophobicContact CE2-CD1 3.73Å; F70-F102 AromaticContact CE2-CE1 3.59Å; F70-F102 HydrophobicContact CE2-CE1 3.59Å; F70-F102 AromaticContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CE1 4.06Å; W80-F102 HydrophobicContact CZ3-CE1 4.43Å; L91-F102 HydrophobicContact CD1-CD1 4.19Å; L91-F102 HydrophobicContact CD1-CD2 4.45Å; L91-F102 HydrophobicContact CD1-CE1 3.59Å; L91-F102 HydrophobicContact CD1-CE2 3.88Å; L91-F102 HydrophobicContact CD1-CZ 3.41Å; L91-F102 VanDerWaalsContact CD1-CZ 3.41Å; F93-F102 HydrophobicContact CE1-CB 3.87Å; F93-F102 HydrophobicContact CE1-CD2 4.22Å; F93-F102 HydrophobicContact CE1-CG 4.02Å; F93-F102 HydrophobicContact CE2-CB 4.49Å; F93-F102 HydrophobicContact CZ-CB 3.63Å; F93-F102 AromaticContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD2 4.09Å; F93-F102 AromaticContact CZ-CG 3.57Å; F93-F102 HydrophobicContact CZ-CG 3.57Å; Q98-F102 WeakPolarHBondContact O-CB 3.42Å; Q98-F102 PolarHBondContact O-N 3.06Å; L99-F102 PolarHBondContact O-N 2.92Å; T100-F102 VanDerWaalsContact C-N 3.31Å; T100-F102 PolarHBondContact O-N 3.37Å; F102-F106 HydrophobicContact CE1-CD2 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.27Å; F102-F106 PolarHBondContact O-N 3.35Å |
| 103 | A | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F70 K72 L99 T100 Q101 F106 Q107 | F70-A103 HydrophobicContact CD1-CB 3.68Å; F70-A103 HydrophobicContact CE1-CB 3.82Å; K72-A103 VanDerWaalsContact CE-CB 3.47Å; L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.09Å; T100-A103 PolarHBondContact O-N 3.48Å; T100-A103 VanDerWaalsContact O-N 3.14Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.31Å; A103-F106 VanDerWaalsContact O-CB 3.32Å; A103-F106 WeakPolarHBondContact O-CB 3.35Å; A103-F106 PolarHBondContact O-N 3.06Å; A103-Q107 PolarHBondContact O-N 3.09Å |
| 104 | E | 97.9 | Very high | 97 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 174 | -71.9 | 167.6 | 177.6 | 0 | 0 | 110.7 | T100 Q101 F106 Q107 E108 | T100-E104 WeakPolarHBondContact CG2-OE1 3.26Å; T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 2.79Å; Q101-E104 PolarHBondContact O-N 2.56Å; E104-F106 PolarHBondContact O-N 3.48Å; E104-Q107 PolarHBondContact O-N 3.28Å; E104-E108 PolarHBondContact O-N 3.46Å |
| 105 | K | 97.9 | Very high | 96.8 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 26% | 0.261 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -33.2 | 175.2 | -70.6 | -68.2 | 167.6 | -139 | 0 | 112.8 | F10 Y39 Q101 Q107 E108 V109 | F10-K105 HydrophobicContact CB-CD 4.36Å; F10-K105 HydrophobicContact CB-CG 4.38Å; F10-K105 HydrophobicContact CD1-CB 4.49Å; F10-K105 HydrophobicContact CD1-CG 4.29Å; F10-K105 HydrophobicContact CD2-CD 4.3Å; F10-K105 HydrophobicContact CD2-CG 3.9Å; F10-K105 HydrophobicContact CE2-CG 4.2Å; F10-K105 HydrophobicContact CG-CD 4.37Å; F10-K105 HydrophobicContact CG-CG 3.93Å; Y39-K105 HydrophobicContact CD2-CB 4.25Å; Y39-K105 HydrophobicContact CE2-CB 3.8Å; Q101-K105 WeakPolarHBondContact O-CB 3.37Å; Q101-K105 WeakPolarHBondContact O-CG 3.26Å; Q101-K105 PolarHBondContact O-N 2.89Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; K105-E108 IonicContact NZ-OE1 3.16Å; K105-E108 PolarHBondContact NZ-OE1 3Å; K105-E108 IonicContact NZ-OE2 3.69Å; K105-E108 PolarHBondContact NZ-OE2 3.37Å; K105-E108 PolarHBondContact O-N 2.89Å; K105-V109 WeakPolarHBondContact O-CB 3.48Å; K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.5Å |
| 106 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 173.4 | -163.7 | -80.5 | 0 | 0 | 0 | 111.3 | Y39 I50 M68 F70 W80 F102 A103 E104 K110 | Y39-F106 HydrophobicContact CE1-CD2 4.33Å; Y39-F106 VanDerWaalsContact OH-CA 3.31Å; Y39-F106 WeakPolarHBondContact OH-CA 3.44Å; Y39-F106 VanDerWaalsContact OH-CB 3.26Å; Y39-F106 WeakPolarHBondContact OH-CB 3.28Å; Y39-F106 VanDerWaalsContact OH-CD2 3.31Å; Y39-F106 WeakPolarHBondContact OH-CD2 3.47Å; Y39-F106 PolarHBondContact OH-N 3.16Å; I50-F106 HydrophobicContact CD1-CD2 3.87Å; I50-F106 HydrophobicContact CD1-CE2 3.6Å; M68-F106 HydrophobicContact CB-CE1 4.15Å; M68-F106 HydrophobicContact CB-CZ 3.91Å; F70-F106 HydrophobicContact CB-CB 4.09Å; F70-F106 HydrophobicContact CB-CD1 3.66Å; F70-F106 HydrophobicContact CB-CD2 3.72Å; F70-F106 HydrophobicContact CB-CE1 3.95Å; F70-F106 HydrophobicContact CB-CE2 4Å; F70-F106 HydrophobicContact CB-CG 3.55Å; F70-F106 HydrophobicContact CB-CZ 4.11Å; F70-F106 HydrophobicContact CD2-CD2 4.22Å; F70-F106 HydrophobicContact CD2-CE2 4.47Å; F70-F106 HydrophobicContact CG-CD2 4.22Å; F70-F106 HydrophobicContact CG-CG 4.3Å; W80-F106 HydrophobicContact CB-CE2 4.22Å; W80-F106 HydrophobicContact CB-CZ 4.19Å; W80-F106 HydrophobicContact CD2-CE2 4.32Å; W80-F106 HydrophobicContact CG-CE2 4.04Å; W80-F106 HydrophobicContact CG-CZ 4.32Å; F102-F106 HydrophobicContact CE1-CD2 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.27Å; F102-F106 PolarHBondContact O-N 3.35Å; A103-F106 VanDerWaalsContact O-CB 3.32Å; A103-F106 WeakPolarHBondContact O-CB 3.35Å; A103-F106 PolarHBondContact O-N 3.06Å; E104-F106 PolarHBondContact O-N 3.48Å; F106-K110 VanDerWaalsContact O-CB 3.26Å; F106-K110 WeakPolarHBondContact O-CB 3.35Å; F106-K110 PolarHBondContact O-N 2.95Å |
| 107 | Q | 97.6 | Very high | 95.8 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 178.6 | -63.1 | -55.9 | -37.9 | 0 | 0 | 112 | A103 E104 K105 V109 K110 E111 | A103-Q107 PolarHBondContact O-N 3.09Å; E104-Q107 PolarHBondContact O-N 3.28Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.29Å; Q107-K110 WeakPolarHBondContact O-CB 3.29Å; Q107-K110 PolarHBondContact O-N 3.45Å; Q107-E111 PolarHBondContact O-N 3.17Å |
| 108 | E | 97 | Very high | 95.2 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57 | -47.2 | 175.9 | -69 | 175.4 | -147.5 | 0 | 0 | 111.7 | E104 K105 K110 E111 A112 | E104-E108 PolarHBondContact O-N 3.46Å; K105-E108 IonicContact NZ-OE1 3.16Å; K105-E108 PolarHBondContact NZ-OE1 3Å; K105-E108 IonicContact NZ-OE2 3.69Å; K105-E108 PolarHBondContact NZ-OE2 3.37Å; K105-E108 PolarHBondContact O-N 2.89Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3Å; E108-E111 PolarHBondContact O-N 2.97Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.19Å |
| 109 | V | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -34.1 | -180 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | Y39 Y48 V64 K105 Q107 A112 A113 | Y39-V109 HydrophobicContact CD1-CB 4.15Å; Y39-V109 HydrophobicContact CD1-CG1 4Å; Y39-V109 HydrophobicContact CD1-CG2 3.82Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 4.4Å; Y39-V109 HydrophobicContact CE1-CG2 4.29Å; Y39-V109 HydrophobicContact CG-CG2 4.06Å; Y48-V109 HydrophobicContact CD1-CG1 3.89Å; Y48-V109 HydrophobicContact CG-CG1 3.71Å; V64-V109 HydrophobicContact CB-CG1 4.09Å; V64-V109 HydrophobicContact CG1-CG1 4.16Å; V64-V109 HydrophobicContact CG2-CG1 3.91Å; K105-V109 WeakPolarHBondContact O-CB 3.48Å; K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.5Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.29Å; V109-A112 PolarHBondContact O-N 2.99Å; V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.34Å |
| 110 | K | 96.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 174.7 | -170.2 | -167.5 | 77.7 | -178.2 | 0 | 111.5 | V64 P66 M68 F106 Q107 E108 A113 R114 | V64-K110 HydrophobicContact CG1-CB 4.29Å; P66-K110 WeakPolarHBondContact O-CD 3.13Å; M68-K110 VanDerWaalsContact O-CD 3.28Å; M68-K110 WeakPolarHBondContact O-CD 3.45Å; F106-K110 VanDerWaalsContact O-CB 3.26Å; F106-K110 WeakPolarHBondContact O-CB 3.35Å; F106-K110 PolarHBondContact O-N 2.95Å; Q107-K110 WeakPolarHBondContact O-CB 3.29Å; Q107-K110 PolarHBondContact O-N 3.45Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3Å; K110-A113 PolarHBondContact O-N 3.48Å; K110-R114 PolarHBondContact O-N 3.03Å |
| 111 | E | 96.2 | Very high | 90.9 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 174.9 | -69.8 | -49.3 | 125.5 | 0 | 0 | 111.9 | Q107 E108 A113 R114 L115 | Q107-E111 PolarHBondContact O-N 3.17Å; E108-E111 PolarHBondContact O-N 2.97Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.93Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-R114 IonicContact OE2-NE 3.69Å; E111-R114 PolarHBondContact OE2-NE 3.22Å; E111-L115 PolarHBondContact O-N 3.39Å |
| 112 | A | 94.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y48 E108 V109 R114 L115 A116 | Y48-A112 HydrophobicContact CD2-CB 4.3Å; Y48-A112 HydrophobicContact CE1-CB 4.17Å; Y48-A112 HydrophobicContact CE2-CB 3.62Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.19Å; V109-A112 PolarHBondContact O-N 2.99Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-L115 PolarHBondContact O-N 2.83Å; A112-A116 WeakPolarHBondContact O-CB 3.5Å; A112-A116 PolarHBondContact O-N 2.89Å |
| 113 | A | 93.6 | Very high | 85.8 | Confident | 6 Ų | 6 | 76.5 Ų | 76.5 | 5% | 0.05 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y48 V109 K110 E111 R117 | Y48-A113 HydrophobicContact CD2-CB 4.01Å; V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.34Å; K110-A113 PolarHBondContact O-N 3.48Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.93Å; A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3.4Å; A113-R117 VanDerWaalsContact O-N 3.16Å |
| 114 | R | 94.1 | Very high | 83.1 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -51 | 172.8 | -168.4 | -169.7 | 69.6 | 69.9 | 0.2 | 110.7 | P66 K110 E111 A112 A116 R117 E118 | P66-R114 HydrophobicContact CB-CB 4.3Å; P66-R114 HydrophobicContact CB-CG 4.42Å; P66-R114 HydrophobicContact CG-CB 4.15Å; P66-R114 HydrophobicContact CG-CG 4.45Å; K110-R114 PolarHBondContact O-N 3.03Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-R114 IonicContact OE2-NE 3.69Å; E111-R114 PolarHBondContact OE2-NE 3.22Å; A112-R114 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 2.91Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-E118 IonicContact CZ-OE2 3.73Å; R114-E118 IonicContact NH1-OE2 3.72Å; R114-E118 PolarHBondContact NH1-OE2 3.26Å; R114-E118 PolarHBondContact O-N 2.82Å |
| 115 | L | 92.4 | Very high | 80.1 | Confident | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.7 | -66.3 | 173 | 0 | 0 | 0 | 112.5 | E111 A112 R117 E118 K119 | E111-L115 PolarHBondContact O-N 3.39Å; A112-L115 PolarHBondContact O-N 2.83Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.95Å; L115-E118 PolarHBondContact O-N 2.84Å; L115-K119 WeakPolarHBondContact O-CG 3.35Å; L115-K119 PolarHBondContact O-N 2.98Å |
| 116 | A | 88.4 | Confident | 77.3 | Confident | 7 Ų | 7 | 88.8 Ų | 88.8 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N46 Y48 A112 R114 S120 | N46-A116 PolarHBondContact ND2-O 3.35Å; Y48-A116 HydrophobicContact CE2-CB 4.31Å; A112-A116 WeakPolarHBondContact O-CB 3.5Å; A112-A116 PolarHBondContact O-N 2.89Å; R114-A116 PolarHBondContact O-N 2.91Å; A116-S120 PolarHBondContact O-N 3.38Å; A116-S120 PolarHBondContact O-OG 3.41Å |
| 117 | R | 85.5 | Confident | 74.2 | Confident | 166 Ų | 166 | 95 Ų | 95 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.6 | -41.1 | 175.6 | -71.2 | -172.4 | 82.4 | -143 | 3 | 112.5 | A113 R114 L115 S120 Q121 | A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3.4Å; A113-R117 VanDerWaalsContact O-N 3.16Å; R114-R117 PolarHBondContact O-N 2.85Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.95Å; R117-S120 PolarHBondContact O-N 3.46Å; R117-Q121 PolarHBondContact O-N 3.37Å; R117-Q121 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 84.1 | Confident | 71.1 | Confident | 107 Ų | 107 | 96.7 Ų | 96.7 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 178 | -168.4 | 171.7 | -179.9 | 0 | 0 | 111 | R114 L115 S120 Q121 D122 | R114-E118 IonicContact CZ-OE2 3.73Å; R114-E118 IonicContact NH1-OE2 3.72Å; R114-E118 PolarHBondContact NH1-OE2 3.26Å; R114-E118 PolarHBondContact O-N 2.82Å; L115-E118 PolarHBondContact O-N 2.84Å; E118-S120 VanDerWaalsContact C-N 3.34Å; E118-S120 PolarHBondContact O-N 3.15Å; E118-Q121 PolarHBondContact O-N 3.01Å; E118-Q121 VanDerWaalsContact O-N 3.09Å; E118-D122 PolarHBondContact O-N 3.28Å; E118-D122 VanDerWaalsContact O-N 3.09Å |
| 119 | K | 77.3 | Confident | 68.2 | Low | 165 Ų | 165 | 97.8 Ų | 97.8 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.7 | -37.9 | 175.2 | -73.8 | -178 | 178.8 | -175.6 | 0 | 113.9 | L115 Q121 | L115-K119 WeakPolarHBondContact O-CG 3.35Å; L115-K119 PolarHBondContact O-N 2.98Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.01Å |
| 120 | S | 66 | Low | 65.2 | Low | 79 Ų | 79 | 101.5 Ų | 101.5 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.2 | -19.5 | 177.2 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | N46 A116 R117 E118 | N46-S120 PolarHBondContact ND2-OG 2.88Å; A116-S120 PolarHBondContact O-N 3.38Å; A116-S120 PolarHBondContact O-OG 3.41Å; R117-S120 PolarHBondContact O-N 3.46Å; E118-S120 VanDerWaalsContact C-N 3.34Å; E118-S120 PolarHBondContact O-N 3.15Å |
| 121 | Q | 59.9 | Low | 62.7 | Low | 164 Ų | 164 | 107.8 Ų | 107.8 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88.7 | -27.3 | 177.5 | -166.1 | 172.3 | -13.1 | 0 | 0 | 112.2 | R117 E118 K119 | R117-Q121 PolarHBondContact O-N 3.37Å; R117-Q121 VanDerWaalsContact O-N 3.1Å; E118-Q121 PolarHBondContact O-N 3.01Å; E118-Q121 VanDerWaalsContact O-N 3.09Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.01Å |
| 122 | D | 49 | Very low | 59.5 | Low | 149 Ų | 149 | 108.7 Ų | 108.7 | 80% | 0.797 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.5 | -15.4 | 179.4 | -151.3 | 35.2 | 0 | 0 | 0 | 113.6 | E118 G124 | E118-D122 PolarHBondContact O-N 3.28Å; E118-D122 VanDerWaalsContact O-N 3.09Å; D122-G124 VanDerWaalsContact C-N 3.26Å; D122-G124 PolarHBondContact O-N 2.69Å |
| 123 | G | 41.3 | Very low | 56.7 | Low | 65 Ų | 65 | 115.2 Ų | 115.2 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 7.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E125 | G123-E125 PolarHBondContact O-N 3.46Š|
| 124 | G | 41.2 | Very low | 53.9 | Low | 62 Ų | 62 | 121.4 Ų | 121.4 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | trans | -83.7 | 87.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D122 F126 | D122-G124 VanDerWaalsContact C-N 3.26Å; D122-G124 PolarHBondContact O-N 2.69Å; G124-F126 PolarHBondContact O-N 2.85Å | ||
| 125 | E | 34.2 | Very low | 50.9 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | -53.8 | 122.8 | 168.8 | -84 | -178 | 146 | 0 | 0 | 111.5 | G123 T127 | G123-E125 PolarHBondContact O-N 3.46Å; E125-T127 PolarHBondContact O-N 3.21Å | ||
| 126 | F | 39.9 | Very low | 48.3 | Very low | 203 Ų | 203 | 125.8 Ų | 125.8 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -10.7 | 96.1 | 142.9 | -82.7 | -98.4 | 0 | 0 | 0 | 114.7 | G124 | G124-F126 PolarHBondContact O-N 2.85Š| ||
| 127 | T | 33.1 | Very low | 45.6 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 91.3 | 146.2 | 40.5 | 0 | 0 | 0 | 0 | 108.5 | E125 | E125-T127 PolarHBondContact O-N 3.21Š| ||
| 128 | S | 31.2 | Very low | 43.3 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -68.5 | 141.3 | 153.8 | -68.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 129 | P | 37.2 | Very low | 41.2 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -118.5 | 111.6 | 119.3 | 24 | -12.5 | 0 | 0 | 0 | 108.1 | L131 | P129-L131 PolarHBondContact O-N 2.91Š| |||
| 130 | A | 34.3 | Very low | 39.4 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 128.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 131 | L | 42.8 | Very low | 37.8 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 150.6 | 84 | 140.7 | -77.5 | -179.6 | 0 | 0 | 0 | 110 | P129 | P129-L131 PolarHBondContact O-N 2.91Š| ||
| 132 | A | 28.7 | Very low | 36.9 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -152.9 | 79.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 133 | L | 35.7 | Very low | 36 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -67.2 | 150.8 | 158.5 | -92.3 | 157.1 | 0 | 0 | 0 | 108.9 | ||||
| 134 | V | 36 | Very low | 35.6 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 87.7 | 95.2 | 169.2 | -160.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 135 | S | 29.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | -175.4 | 139.8 | 103.4 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 136 | H | 38 | Very low | 35.1 | Very low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -26.4 | 131.4 | 170.7 | -62.8 | -71.2 | 0 | 0 | 0 | 117.4 | ||||
| 137 | Q | 31.4 | Very low | 34.8 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -168.5 | 119.8 | 120.9 | -107.2 | 168.5 | 10.2 | 0 | 0 | 111.8 | |||||
| 138 | V | 37.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 139.5 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 139 | P | 41.2 | Very low | 35.2 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 138.1 | 170.3 | 32 | -30.1 | 0 | 0 | 0 | 110.3 | ||
| 140 | P | 38.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 122.8 | 171.6 | 32.9 | -25.9 | 0 | 0 | 0 | 110.8 | ||
| 141 | S | 32.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 173.3 | 158.2 | -44 | 0 | 0 | 0 | 0 | 109.6 | ||
| 142 | P | 42 | Very low | 34.4 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 144.7 | -136 | 29 | -11 | 0 | 0 | 0 | 113.8 | V144 | P142-V144 PolarHBondContact O-N 3.43Š|
| 143 | L | 30.5 | Very low | 34.8 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -84.4 | 112.7 | 171.5 | -72.5 | 173 | 0 | 0 | 0 | 110.8 | ||||
| 144 | V | 33.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -56.3 | 130.4 | 147 | 168 | 0 | 0 | 0 | 0 | 108.2 | P142 T146 | P142-V144 PolarHBondContact O-N 3.43Å; V144-T146 HydrophobicContact CG1-CG2 4.24Å | ||
| 145 | S | 30.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -135.9 | 111.4 | 159.3 | -97.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 146 | T | 32.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | trans | -79.9 | 132.2 | 170.7 | 44.9 | 0 | 0 | 0 | 0 | 111 | V144 | V144-T146 HydrophobicContact CG1-CG2 4.24Š| ||
| 147 | N | 34.3 | Very low | 34.1 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | 71 | 122.1 | 143.5 | -58.8 | -23.7 | 0 | 0 | 0 | 121.8 | ||||
| 148 | G | 27 | Very low | 34.2 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -169.9 | 118.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 149 | P | 45.1 | Very low | 34 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | -90.8 | 150 | -158.6 | 36.5 | -33.8 | 0 | 0 | 0 | 112.8 | ||||
| 150 | G | 29.3 | Very low | 33.7 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 174.6 | 93.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 151 | E | 32.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 67.5 | 106.1 | 150.1 | -57.6 | -158.1 | 150.7 | 0 | 0 | 120.5 | K153 | E151-K153 PolarHBondContact O-N 3.38Š| ||
| 152 | E | 35.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -35.3 | 117.5 | 147.3 | -65.2 | 171.8 | 111.4 | 0 | 0 | 113.5 | ||||
| 153 | K | 36.9 | Very low | 34.7 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -128.3 | 88.2 | 141.8 | -73.1 | -166.9 | 179.7 | 176.5 | 0 | 109.7 | E151 F155 | E151-K153 PolarHBondContact O-N 3.38Å; K153-F155 PolarHBondContact O-N 2.85Å | ||
| 154 | L | 32.4 | Very low | 35.5 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | -32.5 | 110.4 | 152.2 | -67.5 | 152.2 | 0 | 0 | 0 | 111.3 | ||||
| 155 | F | 30.9 | Very low | 36.6 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -97.4 | 78.9 | 147.6 | -91.8 | -82.4 | 0 | 0 | 0 | 108.4 | K153 | K153-F155 PolarHBondContact O-N 2.85Š| ||
| 156 | R | 31.1 | Very low | 37.8 | Very low | 212 Ų | 212 | 128.1 Ų | 128.1 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -81 | 116.3 | 153.1 | 173.5 | -171.4 | -74.6 | -171.8 | -2.8 | 106.9 | ||||
| 157 | S | 30 | Very low | 39 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | -161.1 | 98.2 | 151 | -78.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 158 | Q | 33.6 | Very low | 40.4 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | 106.8 | 87.2 | 84.8 | -93.1 | -172.7 | 71.4 | 0 | 0 | 109.3 | |||||
| 159 | S | 34.1 | Very low | 42.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | -150.2 | 85.5 | 147.2 | 56.2 | 0 | 0 | 0 | 0 | 106.5 | D161 | S159-D161 PolarHBondContact O-N 2.8Š| ||
| 160 | A | 33.5 | Very low | 43.3 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -78.9 | 100.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 161 | D | 39.4 | Very low | 44.6 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -118.5 | 120.9 | 147.6 | -87.5 | -38.2 | 0 | 0 | 0 | 106 | S159 | S159-D161 PolarHBondContact O-N 2.8Š| ||
| 162 | A | 47.9 | Very low | 46.3 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G164 | A162-G164 PolarHBondContact O-N 2.98Š|
| 163 | P | 48.2 | Very low | 47.6 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 50% | 0.5 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 118.5 | 176.8 | 22.7 | -30.7 | 0 | 0 | 0 | 108.2 | E167 | P163-E167 VanDerWaalsContact CA-OE2 3.29Å; P163-E167 WeakPolarHBondContact CA-OE2 3.41Å; P163-E167 HydrophobicContact CB-CB 3.92Å; P163-E167 HydrophobicContact CB-CG 3.96Å; P163-E167 VanDerWaalsContact CB-OE2 3.26Å; P163-E167 WeakPolarHBondContact CB-OE2 3.41Å |
| 164 | G | 45.6 | Very low | 48.5 | Very low | 28 Ų | 28 | 128.3 Ų | 128.3 | 29% | 0.289 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 161.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A162 T166 E167 R168 | A162-G164 PolarHBondContact O-N 2.98Å; G164-T166 PolarHBondContact O-N 2.86Å; G164-E167 PolarHBondContact O-N 3Å; G164-R168 PolarHBondContact O-N 3.21Å |
| 165 | P | 57.1 | Low | 49.6 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -52.4 | -28.9 | 178.6 | 20.1 | -31.4 | 0 | 0 | 0 | 112.9 | E169 | P165-E169 WeakPolarHBondContact O-CB 3.42Å; P165-E169 PolarHBondContact O-N 2.89Å |
| 166 | T | 55.5 | Low | 50.8 | Low | 84 Ų | 84 | 123.5 Ų | 123.5 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.5 | -32.7 | 175.2 | 44.5 | 0 | 0 | 0 | 0 | 114.7 | G164 R170 | G164-T166 PolarHBondContact O-N 2.86Å; T166-R170 WeakPolarHBondContact O-CB 3.31Å; T166-R170 VanDerWaalsContact O-CG 3.28Å; T166-R170 WeakPolarHBondContact O-CG 3.27Å; T166-R170 PolarHBondContact O-N 2.86Å |
| 167 | E | 58 | Low | 52 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 47% | 0.467 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79 | -34.9 | 176.5 | -170.7 | 168.1 | -161.9 | 0 | 0 | 111 | P163 G164 R170 L171 | P163-E167 VanDerWaalsContact CA-OE2 3.29Å; P163-E167 WeakPolarHBondContact CA-OE2 3.41Å; P163-E167 HydrophobicContact CB-CB 3.92Å; P163-E167 HydrophobicContact CB-CG 3.96Å; P163-E167 VanDerWaalsContact CB-OE2 3.26Å; P163-E167 WeakPolarHBondContact CB-OE2 3.41Å; G164-E167 PolarHBondContact O-N 3Å; E167-R170 PolarHBondContact O-N 2.93Å; E167-L171 HydrophobicContact CG-CD1 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.45Å; E167-L171 WeakPolarHBondContact O-CG 3.5Å; E167-L171 PolarHBondContact O-N 3.49Å |
| 168 | R | 64.1 | Low | 52.9 | Low | 200 Ų | 200 | 116.8 Ų | 116.8 | 76% | 0.755 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.7 | -38 | 171.3 | -148.2 | 174.8 | -174 | 166.9 | 1 | 111.8 | G164 K172 | G164-R168 PolarHBondContact O-N 3.21Å; R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.26Å; R168-K172 PolarHBondContact O-N 3.46Å |
| 169 | E | 65.3 | Low | 53.7 | Low | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.9 | -38.4 | 171 | -89.9 | 178.1 | 154.2 | 0 | 0 | 113.1 | P165 K172 K173 | P165-E169 WeakPolarHBondContact O-CB 3.42Å; P165-E169 PolarHBondContact O-N 2.89Å; E169-K172 PolarHBondContact O-N 2.99Å; E169-K173 VanDerWaalsContact O-CB 3.28Å; E169-K173 WeakPolarHBondContact O-CB 3.32Å; E169-K173 PolarHBondContact O-N 3.24Å |
| 170 | R | 66.8 | Low | 54.4 | Low | 173 Ų | 173 | 110.4 Ų | 110.4 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -43.9 | 174.2 | -81.1 | 175.5 | -177.7 | 145.4 | 1 | 112.5 | T166 E167 K173 M174 | T166-R170 WeakPolarHBondContact O-CB 3.31Å; T166-R170 VanDerWaalsContact O-CG 3.28Å; T166-R170 WeakPolarHBondContact O-CG 3.27Å; T166-R170 PolarHBondContact O-N 2.86Å; E167-R170 PolarHBondContact O-N 2.93Å; R170-K173 PolarHBondContact O-N 2.87Å; R170-M174 WeakPolarHBondContact O-CB 3.46Å; R170-M174 WeakPolarHBondContact O-CG 3.32Å; R170-M174 PolarHBondContact O-N 3.11Å |
| 171 | L | 58.3 | Low | 55.5 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 175.7 | -76.8 | 164.9 | 0 | 0 | 0 | 111.4 | E167 K173 M174 L175 | E167-L171 HydrophobicContact CG-CD1 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.45Å; E167-L171 WeakPolarHBondContact O-CG 3.5Å; E167-L171 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.35Å; L171-M174 PolarHBondContact O-N 3.29Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 2.84Å |
| 172 | K | 67.1 | Low | 56.2 | Low | 150 Ų | 150 | 105.9 Ų | 105.9 | 65% | 0.652 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 174.2 | -167.6 | 176.6 | -179.3 | -176.4 | 0 | 111.9 | R168 E169 L175 S176 | R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.26Å; R168-K172 PolarHBondContact O-N 3.46Å; E169-K172 PolarHBondContact O-N 2.99Å; K172-L175 PolarHBondContact O-N 3.4Å; K172-S176 PolarHBondContact O-N 2.81Å; K172-S176 PolarHBondContact O-OG 2.96Å |
| 173 | K | 63.2 | Low | 56.7 | Low | 131 Ų | 131 | 105.7 Ų | 105.7 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -43 | 175.7 | -168.3 | 176.1 | 179.5 | -176.5 | 0 | 112 | E169 R170 L171 L175 S176 E177 | E169-K173 VanDerWaalsContact O-CB 3.28Å; E169-K173 WeakPolarHBondContact O-CB 3.32Å; E169-K173 PolarHBondContact O-N 3.24Å; R170-K173 PolarHBondContact O-N 2.87Å; L171-K173 VanDerWaalsContact C-N 3.35Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; K173-S176 PolarHBondContact O-N 3.32Å; K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3Å |
| 174 | M | 56.7 | Low | 57.6 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 61% | 0.606 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.5 | -38 | 173.9 | -77 | 177.7 | 48.9 | 0 | 0 | 112.8 | R170 L171 E177 G178 | R170-M174 WeakPolarHBondContact O-CB 3.46Å; R170-M174 WeakPolarHBondContact O-CG 3.32Å; R170-M174 PolarHBondContact O-N 3.11Å; L171-M174 PolarHBondContact O-N 3.29Å; M174-E177 PolarHBondContact O-N 3.04Å; M174-G178 PolarHBondContact O-N 3.45Å |
| 175 | L | 55.5 | Low | 58.9 | Low | 143 Ų | 143 | 115 Ų | 115 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.1 | -33.2 | 176.5 | -73.1 | 166.4 | 0 | 0 | 0 | 112.2 | L171 K172 K173 G178 | L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 2.84Å; K172-L175 PolarHBondContact O-N 3.4Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; L175-G178 PolarHBondContact O-N 3.4Å |
| 176 | S | 56.8 | Low | 60 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.6 | -26.5 | 172.4 | -71.4 | 0 | 0 | 0 | 0 | 113.6 | K172 K173 | K172-S176 PolarHBondContact O-N 2.81Å; K172-S176 PolarHBondContact O-OG 2.96Å; K173-S176 PolarHBondContact O-N 3.32Å |
| 177 | E | 54.8 | Low | 61.2 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 56% | 0.556 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -86 | -13.6 | 173.7 | -70.8 | 169.5 | -175.4 | 0 | 0 | 112.8 | K173 M174 S179 | K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3Å; M174-E177 PolarHBondContact O-N 3.04Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.42Å |
| 178 | G | 49.9 | Very low | 62.6 | Low | 46 Ų | 46 | 113.9 Ų | 113.9 | 47% | 0.474 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | M174 L175 V180 | M174-G178 PolarHBondContact O-N 3.45Å; L175-G178 PolarHBondContact O-N 3.4Å; G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 3.49Å |
| 179 | S | 49.4 | Very low | 64 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 58% | 0.58 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.9 | -20 | 177.6 | -180 | 0 | 0 | 0 | 0 | 113.3 | E177 | E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.42Å |
| 180 | V | 50 | Low | 65.3 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.3 | -29.9 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | G178 Q184 | G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 3.49Å; V180-Q184 HydrophobicContact CG1-CG 4.27Å; V180-Q184 WeakPolarHBondContact O-CB 3.31Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 2.83Å; V180-Q184 VanDerWaalsContact O-N 3.08Å |
| 181 | G | 55.3 | Low | 66.4 | Low | 25 Ų | 25 | 104.9 Ų | 104.9 | 26% | 0.258 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.5 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q184 W185 | G181-Q184 PolarHBondContact O-N 2.95Å; G181-W185 PolarHBondContact O-N 2.96Å |
| 182 | E | 54.8 | Low | 68 | Low | 134 Ų | 134 | 106.4 Ų | 106.4 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -45.9 | 179.9 | -165.8 | 168.1 | -164.2 | 0 | 0 | 111.7 | Q184 W185 E186 | E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.39Å; E182-W185 PolarHBondContact O-N 2.93Å; E182-E186 WeakPolarHBondContact O-CB 3.26Å; E182-E186 VanDerWaalsContact O-CG 3.32Å; E182-E186 WeakPolarHBondContact O-CG 3.32Å; E182-E186 PolarHBondContact O-N 3.39Å |
| 183 | V | 58.8 | Low | 69.3 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -32.4 | 177 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | A187 | V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.33Å; V183-A187 PolarHBondContact O-N 3.28Å |
| 184 | Q | 67 | Low | 70.7 | Confident | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 174.3 | -78 | 176 | -20.8 | 0 | 0 | 112.2 | V180 G181 E182 A187 E188 | V180-Q184 HydrophobicContact CG1-CG 4.27Å; V180-Q184 WeakPolarHBondContact O-CB 3.31Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 2.83Å; V180-Q184 VanDerWaalsContact O-N 3.08Å; G181-Q184 PolarHBondContact O-N 2.95Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.39Å; Q184-A187 PolarHBondContact O-N 3.22Å; Q184-E188 WeakPolarHBondContact O-CB 3.46Å; Q184-E188 WeakPolarHBondContact O-CG 3.4Å; Q184-E188 PolarHBondContact O-N 3.21Å |
| 185 | W | 72.1 | Confident | 72.5 | Confident | 186 Ų | 186 | 97.7 Ų | 97.7 | 71% | 0.705 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | 176 | -73.7 | 112 | 0 | 0 | 0 | 112.3 | G181 E182 E188 F189 | G181-W185 PolarHBondContact O-N 2.96Å; E182-W185 PolarHBondContact O-N 2.93Å; W185-E188 PolarHBondContact O-N 3.12Å; W185-F189 VanDerWaalsContact O-CB 3.24Å; W185-F189 WeakPolarHBondContact O-CB 3.35Å; W185-F189 PolarHBondContact O-N 2.92Å |
| 186 | E | 79.6 | Confident | 74.3 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.2 | -74.9 | 178.6 | 169.7 | 0 | 0 | 111.4 | E182 E188 F189 F190 | E182-E186 WeakPolarHBondContact O-CB 3.26Å; E182-E186 VanDerWaalsContact O-CG 3.32Å; E182-E186 WeakPolarHBondContact O-CG 3.32Å; E182-E186 PolarHBondContact O-N 3.39Å; E186-E188 PolarHBondContact O-N 2.92Å; E186-F189 WeakPolarHBondContact O-CB 3.44Å; E186-F189 PolarHBondContact O-N 3.41Å; E186-F190 WeakPolarHBondContact O-CD2 3.47Å; E186-F190 PolarHBondContact O-N 3.26Å |
| 187 | A | 81.7 | Confident | 76.2 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V183 Q184 F190 A191 | V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.33Å; V183-A187 PolarHBondContact O-N 3.28Å; Q184-A187 PolarHBondContact O-N 3.22Å; A187-F190 PolarHBondContact O-N 2.98Å; A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 3.49Å |
| 188 | E | 88.2 | Confident | 78.1 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.3 | -74.9 | -175.8 | -171.9 | 0 | 0 | 112.1 | Q184 W185 E186 A191 L192 | Q184-E188 WeakPolarHBondContact O-CB 3.46Å; Q184-E188 WeakPolarHBondContact O-CG 3.4Å; Q184-E188 PolarHBondContact O-N 3.21Å; W185-E188 PolarHBondContact O-N 3.12Å; E186-E188 PolarHBondContact O-N 2.92Å; E188-A191 PolarHBondContact O-N 3.49Å; E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 2.99Å |
| 189 | F | 91.8 | Very high | 80.4 | Confident | 130 Ų | 130 | 103.8 Ų | 103.8 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 175.2 | 178.5 | -94 | 0 | 0 | 0 | 111.5 | W185 E186 L192 Q193 | W185-F189 VanDerWaalsContact O-CB 3.24Å; W185-F189 WeakPolarHBondContact O-CB 3.35Å; W185-F189 PolarHBondContact O-N 2.92Å; E186-F189 WeakPolarHBondContact O-CB 3.44Å; E186-F189 PolarHBondContact O-N 3.41Å; F189-L192 PolarHBondContact O-N 3.43Å; F189-Q193 WeakPolarHBondContact O-CB 3.42Å; F189-Q193 PolarHBondContact O-N 3.38Å |
| 190 | F | 93.1 | Very high | 82.6 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 176.2 | -76 | -64.3 | 0 | 0 | 0 | 112.3 | E186 A187 L192 Q193 D194 | E186-F190 WeakPolarHBondContact O-CD2 3.47Å; E186-F190 PolarHBondContact O-N 3.26Å; A187-F190 PolarHBondContact O-N 2.98Å; F190-L192 PolarHBondContact O-N 2.94Å; F190-Q193 PolarHBondContact O-N 3Å; F190-D194 WeakPolarHBondContact O-CB 3.47Å; F190-D194 PolarHBondContact O-N 3.36Å |
| 191 | A | 90.2 | Very high | 84.8 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A187 E188 S195 | A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 3.49Å; E188-A191 PolarHBondContact O-N 3.49Å; A191-S195 VanDerWaalsContact O-CB 3.31Å; A191-S195 WeakPolarHBondContact O-CB 3.18Å; A191-S195 PolarHBondContact O-N 3.04Å |
| 192 | L | 92.4 | Very high | 86.8 | Confident | 119 Ų | 119 | 99.6 Ų | 99.6 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.2 | -39.9 | 174.4 | -74.6 | 171.5 | 0 | 0 | 0 | 112 | E188 F189 F190 S195 N196 | E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 2.99Å; F189-L192 PolarHBondContact O-N 3.43Å; F190-L192 PolarHBondContact O-N 2.94Å; L192-S195 PolarHBondContact O-N 2.65Å; L192-N196 VanDerWaalsContact O-CB 3.31Å; L192-N196 WeakPolarHBondContact O-CB 3.4Å; L192-N196 PolarHBondContact O-N 3.08Å |
| 193 | Q | 94.5 | Very high | 88.8 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 176.2 | -175.5 | 178.3 | 0.9 | 0 | 0 | 111.2 | F189 F190 N196 Q197 | F189-Q193 WeakPolarHBondContact O-CB 3.42Å; F189-Q193 PolarHBondContact O-N 3.38Å; F190-Q193 PolarHBondContact O-N 3Å; Q193-N196 WeakPolarHBondContact O-CB 3.28Å; Q193-N196 PolarHBondContact O-N 3.29Å; Q193-Q197 WeakPolarHBondContact O-CB 3.19Å; Q193-Q197 PolarHBondContact O-N 3.38Å |
| 194 | D | 92.1 | Very high | 90.6 | Very high | 72 Ų | 72 | 103 Ų | 103 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.7 | -179.5 | 72.2 | 0 | 0 | 0 | 111.7 | F190 N196 Q197 R198 | F190-D194 WeakPolarHBondContact O-CB 3.47Å; F190-D194 PolarHBondContact O-N 3.36Å; D194-N196 VanDerWaalsContact C-N 3.33Å; D194-N196 PolarHBondContact O-N 3.28Å; D194-Q197 PolarHBondContact O-N 3Å; D194-R198 WeakPolarHBondContact O-CG 3.29Å; D194-R198 PolarHBondContact O-N 3.48Å; D194-R198 IonicContact OD2-CZ 3.85Å; D194-R198 IonicContact OD2-NE 3.78Å; D194-R198 PolarHBondContact OD2-NE 3.09Å; D194-R198 IonicContact OD2-NH2 2.83Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å |
| 195 | S | 93.8 | Very high | 92 | Very high | 53 Ų | 53 | 104.2 Ų | 104.2 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 173 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | A191 L192 R198 L199 | A191-S195 VanDerWaalsContact O-CB 3.31Å; A191-S195 WeakPolarHBondContact O-CB 3.18Å; A191-S195 PolarHBondContact O-N 3.04Å; L192-S195 PolarHBondContact O-N 2.65Å; S195-R198 PolarHBondContact O-N 2.78Å; S195-L199 WeakPolarHBondContact O-CG 3.4Å; S195-L199 PolarHBondContact O-N 2.79Å |
| 196 | N | 94.5 | Very high | 93 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 176.7 | -165.8 | -57.2 | 0 | 0 | 0 | 111.4 | L192 Q193 D194 R198 L199 A200 | L192-N196 VanDerWaalsContact O-CB 3.31Å; L192-N196 WeakPolarHBondContact O-CB 3.4Å; L192-N196 PolarHBondContact O-N 3.08Å; Q193-N196 WeakPolarHBondContact O-CB 3.28Å; Q193-N196 PolarHBondContact O-N 3.29Å; D194-N196 VanDerWaalsContact C-N 3.33Å; D194-N196 PolarHBondContact O-N 3.28Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 3.07Å; N196-L199 PolarHBondContact O-N 3.03Å; N196-A200 WeakPolarHBondContact O-CB 3.5Å; N196-A200 PolarHBondContact O-N 3.46Å |
| 197 | Q | 95.9 | Very high | 93.7 | Very high | 135 Ų | 135 | 98 Ų | 98 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 177 | -167.8 | 165.4 | 6.3 | 0 | 0 | 111.9 | Q193 D194 A200 G201 | Q193-Q197 WeakPolarHBondContact O-CB 3.19Å; Q193-Q197 PolarHBondContact O-N 3.38Å; D194-Q197 PolarHBondContact O-N 3Å; Q197-A200 PolarHBondContact O-N 3.01Å; Q197-G201 PolarHBondContact O-N 3.07Å |
| 198 | R | 95.8 | Very high | 94.5 | Very high | 173 Ų | 173 | 97.5 Ų | 97.5 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 172.5 | -75.9 | -168.7 | -99.4 | 170.8 | -6.7 | 112.2 | D194 S195 N196 G201 A202 | D194-R198 WeakPolarHBondContact O-CG 3.29Å; D194-R198 PolarHBondContact O-N 3.48Å; D194-R198 IonicContact OD2-CZ 3.85Å; D194-R198 IonicContact OD2-NE 3.78Å; D194-R198 PolarHBondContact OD2-NE 3.09Å; D194-R198 IonicContact OD2-NH2 2.83Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å; S195-R198 PolarHBondContact O-N 2.78Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.35Å; R198-A202 PolarHBondContact O-N 3.37Å |
| 199 | L | 96.7 | Very high | 94.9 | Very high | 116 Ų | 116 | 94 Ų | 94 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 175.6 | -73.8 | 171.9 | 0 | 0 | 0 | 112.3 | S195 N196 G201 A202 L203 | S195-L199 WeakPolarHBondContact O-CG 3.4Å; S195-L199 PolarHBondContact O-N 2.79Å; N196-L199 PolarHBondContact O-N 3.03Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.88Å; L199-A202 PolarHBondContact O-N 3.36Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 PolarHBondContact O-N 2.94Å |
| 200 | A | 96.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 89.8 Ų | 89.8 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N196 Q197 R204 | N196-A200 WeakPolarHBondContact O-CB 3.5Å; N196-A200 PolarHBondContact O-N 3.46Å; Q197-A200 PolarHBondContact O-N 3.01Å; A200-R204 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-N 3.15Å |
| 201 | G | 96.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 85.6 Ų | 85.6 | 13% | 0.134 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.6 | -56.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q197 R198 L199 L203 R204 E205 | Q197-G201 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.35Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.88Å; G201-L203 VanDerWaalsContact C-N 3.27Å; G201-L203 PolarHBondContact O-N 3.08Å; G201-R204 WeakPolarHBondContact O-CB 3.5Å; G201-R204 PolarHBondContact O-N 3.03Å; G201-E205 PolarHBondContact O-N 3.1Å |
| 202 | A | 95.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 88.7 Ų | 88.7 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R198 L199 E205 A206 | R198-A202 PolarHBondContact O-N 3.37Å; L199-A202 PolarHBondContact O-N 3.36Å; A202-E205 PolarHBondContact O-N 3.18Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.12Å |
| 203 | L | 97 | Very high | 95.8 | Very high | 128 Ų | 128 | 92.2 Ų | 92.2 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.6 | -38.2 | 176.9 | -170.4 | 140.1 | 0 | 0 | 0 | 112.2 | L199 G201 N207 | L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 PolarHBondContact O-N 2.94Å; G201-L203 VanDerWaalsContact C-N 3.27Å; G201-L203 PolarHBondContact O-N 3.08Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.24Å |
| 204 | R | 96.9 | Very high | 95.9 | Very high | 166 Ų | 166 | 94.3 Ų | 94.3 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 175.5 | -164.7 | -174.4 | -55.5 | 101.2 | 3 | 111.2 | A200 G201 N207 A208 | A200-R204 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-N 3.15Å; G201-R204 WeakPolarHBondContact O-CB 3.5Å; G201-R204 PolarHBondContact O-N 3.03Å; R204-N207 PolarHBondContact O-N 3.34Å; R204-A208 PolarHBondContact O-N 2.88Å |
| 205 | E | 96 | Very high | 96.2 | Very high | 138 Ų | 138 | 97 Ų | 97 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | 176.4 | -72.2 | 170.5 | -163.4 | 0 | 0 | 111.7 | G201 A202 N207 A208 A209 | G201-E205 PolarHBondContact O-N 3.1Å; A202-E205 PolarHBondContact O-N 3.18Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.35Å; E205-A208 PolarHBondContact O-N 3.16Å; E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.33Å |
| 206 | A | 94.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 100.3 Ų | 100.3 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A202 A209 A210 | A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.12Å; A206-A209 PolarHBondContact O-N 2.82Å; A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 2.89Å |
| 207 | N | 94.7 | Very high | 96.4 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -36.8 | 177.6 | -162.2 | 17.4 | 0 | 0 | 0 | 112.5 | L203 R204 E205 S211 | L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.24Å; R204-N207 PolarHBondContact O-N 3.34Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.35Å; N207-S211 PolarHBondContact O-N 3.18Å; N207-S211 VanDerWaalsContact O-N 3.08Å; N207-S211 PolarHBondContact O-OG 3.04Å |
| 208 | A | 97.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R204 E205 A210 S211 Q212 | R204-A208 PolarHBondContact O-N 2.88Å; E205-A208 PolarHBondContact O-N 3.16Å; A208-A210 PolarHBondContact O-N 2.87Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.14Å; A208-S211 VanDerWaalsContact O-N 3.12Å; A208-Q212 WeakPolarHBondContact O-CG 3.17Å; A208-Q212 PolarHBondContact O-N 3.15Å |
| 209 | A | 96.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 93.8 Ų | 93.8 | 30% | 0.298 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E205 A206 S211 Q212 W213 | E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.33Å; A206-A209 PolarHBondContact O-N 2.82Å; A209-S211 PolarHBondContact O-N 3.49Å; A209-Q212 WeakPolarHBondContact O-CB 3.42Å; A209-Q212 PolarHBondContact O-N 3.19Å; A209-Q212 VanDerWaalsContact O-N 3.16Å; A209-W213 PolarHBondContact O-N 3.33Å |
| 210 | A | 97.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 93.6 Ų | 93.6 | 34% | 0.339 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -30.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A206 A208 R214 | A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 2.89Å; A208-A210 PolarHBondContact O-N 2.87Å; A210-R214 WeakPolarHBondContact O-CG 3.41Å; A210-R214 PolarHBondContact O-N 3.19Å; A210-R214 PolarHBondContact O-NE 2.92Å; A210-R214 VanDerWaalsContact O-NE 3.1Å |
| 211 | S | 96.7 | Very high | 96.3 | Very high | 43 Ų | 43 | 99.1 Ų | 99.1 | 30% | 0.301 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.7 | -40.2 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | N207 A208 A209 R214 Q215 | N207-S211 PolarHBondContact O-N 3.18Å; N207-S211 VanDerWaalsContact O-N 3.08Å; N207-S211 PolarHBondContact O-OG 3.04Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.14Å; A208-S211 VanDerWaalsContact O-N 3.12Å; A209-S211 PolarHBondContact O-N 3.49Å; S211-R214 PolarHBondContact O-N 2.99Å; S211-R214 PolarHBondContact OG-NH2 3.32Å; S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.94Å |
| 212 | Q | 97.6 | Very high | 96.3 | Very high | 124 Ų | 124 | 101.2 Ų | 101.2 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -46.1 | 173.1 | -69.8 | 171.9 | -7.2 | 0 | 0 | 111.6 | A208 A209 R214 Q215 Q216 | A208-Q212 WeakPolarHBondContact O-CG 3.17Å; A208-Q212 PolarHBondContact O-N 3.15Å; A209-Q212 WeakPolarHBondContact O-CB 3.42Å; A209-Q212 PolarHBondContact O-N 3.19Å; A209-Q212 VanDerWaalsContact O-N 3.16Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 3.34Å; Q212-Q215 PolarHBondContact O-N 3.34Å; Q212-Q216 WeakPolarHBondContact O-CB 3.21Å; Q212-Q216 PolarHBondContact O-N 2.83Å |
| 213 | W | 95.6 | Very high | 96.3 | Very high | 193 Ų | 193 | 102.9 Ų | 102.9 | 73% | 0.731 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 176.4 | -79.8 | 110.9 | 0 | 0 | 0 | 112.6 | A209 Q216 L217 | A209-W213 PolarHBondContact O-N 3.33Å; W213-Q216 PolarHBondContact O-N 3.39Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å |
| 214 | R | 97.1 | Very high | 96.1 | Very high | 140 Ų | 140 | 99 Ų | 99 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 174.3 | -80.6 | -178.2 | -79.5 | 171 | -3.7 | 111.9 | A210 S211 Q212 Q216 L217 E218 | A210-R214 WeakPolarHBondContact O-CG 3.41Å; A210-R214 PolarHBondContact O-N 3.19Å; A210-R214 PolarHBondContact O-NE 2.92Å; A210-R214 VanDerWaalsContact O-NE 3.1Å; S211-R214 PolarHBondContact O-N 2.99Å; S211-R214 PolarHBondContact OG-NH2 3.32Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 3.34Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 2.91Å; R214-L217 PolarHBondContact O-N 3.28Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.41Å |
| 215 | Q | 97.8 | Very high | 96 | Very high | 130 Ų | 130 | 96.5 Ų | 96.5 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 175.5 | -71.9 | 175.3 | -5 | 0 | 0 | 112 | S211 Q212 L217 E218 A219 | S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.94Å; Q212-Q215 PolarHBondContact O-N 3.34Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; Q215-L217 PolarHBondContact O-N 3.37Å; Q215-E218 PolarHBondContact O-N 3.32Å; Q215-A219 WeakPolarHBondContact O-CB 3.35Å; Q215-A219 PolarHBondContact O-N 2.98Å |
| 216 | Q | 96.5 | Very high | 96.1 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 176.4 | -158.6 | 93.1 | 8.9 | 0 | 0 | 111.3 | Q212 W213 R214 A219 Q220 | Q212-Q216 WeakPolarHBondContact O-CB 3.21Å; Q212-Q216 PolarHBondContact O-N 2.83Å; W213-Q216 PolarHBondContact O-N 3.39Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 2.91Å; Q216-A219 PolarHBondContact O-N 3.38Å; Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.37Å; Q216-Q220 PolarHBondContact O-N 2.92Å |
| 217 | L | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 99 Ų | 99 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 178.3 | -172.1 | 71.9 | 0 | 0 | 0 | 111.6 | W213 R214 Q215 Q220 R221 | W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å; R214-L217 PolarHBondContact O-N 3.28Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; Q215-L217 PolarHBondContact O-N 3.37Å; L217-Q220 PolarHBondContact O-N 3.02Å; L217-R221 WeakPolarHBondContact O-CB 3.44Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 3.36Å |
| 218 | E | 95.8 | Very high | 96.2 | Very high | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 174.8 | -74 | 174.4 | -177.7 | 0 | 0 | 111.7 | R214 Q215 Q220 R221 A222 | R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.41Å; Q215-E218 PolarHBondContact O-N 3.32Å; E218-Q220 PolarHBondContact O-N 2.96Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 2.96Å |
| 219 | A | 95.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q215 Q216 R221 A222 E223 | Q215-A219 WeakPolarHBondContact O-CB 3.35Å; Q215-A219 PolarHBondContact O-N 2.98Å; Q216-A219 PolarHBondContact O-N 3.38Å; A219-R221 PolarHBondContact O-N 2.89Å; A219-A222 PolarHBondContact O-N 3.46Å; A219-E223 PolarHBondContact O-N 2.99Å |
| 220 | Q | 93.7 | Very high | 96 | Very high | 111 Ų | 111 | 108.9 Ų | 108.9 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.8 | -74.3 | -64.9 | -51.4 | 0 | 0 | 112.4 | Q216 L217 E218 E223 A224 | Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.37Å; Q216-Q220 PolarHBondContact O-N 2.92Å; L217-Q220 PolarHBondContact O-N 3.02Å; E218-Q220 PolarHBondContact O-N 2.96Å; Q220-E223 PolarHBondContact O-N 3.2Å; Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.37Å |
| 221 | R | 96.9 | Very high | 95.7 | Very high | 158 Ų | 158 | 110.5 Ų | 110.5 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 173.4 | -76.9 | 176.7 | 178.5 | -176.2 | -0.4 | 111.8 | L217 E218 A219 E223 A224 E225 | L217-R221 WeakPolarHBondContact O-CB 3.44Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 3.36Å; E218-R221 PolarHBondContact O-N 3.47Å; A219-R221 PolarHBondContact O-N 2.89Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 2.83Å; R221-A224 WeakPolarHBondContact O-CB 3.48Å; R221-A224 PolarHBondContact O-N 2.86Å; R221-E225 WeakPolarHBondContact O-CG 3.33Å; R221-E225 PolarHBondContact O-N 2.97Å |
| 222 | A | 96.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E218 A219 E225 R226 | E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 2.96Å; A219-A222 PolarHBondContact O-N 3.46Å; A222-E225 PolarHBondContact O-N 2.99Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 2.98Å |
| 223 | E | 96.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 109.6 Ų | 109.6 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.6 | -172.9 | 172.4 | -167.8 | 0 | 0 | 112.1 | A219 Q220 R221 R226 L227 | A219-E223 PolarHBondContact O-N 2.99Å; Q220-E223 PolarHBondContact O-N 3.2Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 2.83Å; E223-R226 WeakPolarHBondContact O-CB 3.17Å; E223-R226 PolarHBondContact O-N 2.81Å; E223-L227 HydrophobicContact CG-CD1 4.48Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.86Å |
| 224 | A | 92 | Very high | 94.7 | Very high | 46 Ų | 46 | 104.3 Ų | 104.3 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q220 R221 R226 L227 Q228 | Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.37Å; R221-A224 WeakPolarHBondContact O-CB 3.48Å; R221-A224 PolarHBondContact O-N 2.86Å; A224-R226 PolarHBondContact O-N 3.42Å; A224-L227 PolarHBondContact O-N 3.15Å; A224-Q228 WeakPolarHBondContact O-CG 3.22Å; A224-Q228 PolarHBondContact O-N 2.87Å |
| 225 | E | 95.9 | Very high | 94.2 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.2 | -72.6 | 175.9 | -172.6 | 0 | 0 | 111.7 | R221 A222 L227 Q228 Q229 | R221-E225 WeakPolarHBondContact O-CG 3.33Å; R221-E225 PolarHBondContact O-N 2.97Å; A222-E225 PolarHBondContact O-N 2.99Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.42Å; E225-Q228 PolarHBondContact O-N 3.15Å; E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.15Å |
| 226 | R | 97.6 | Very high | 93.5 | Very high | 162 Ų | 162 | 100.5 Ų | 100.5 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 176.1 | -168 | -172.4 | 77.4 | 122.5 | -1.4 | 111.9 | A222 E223 A224 Q229 R230 | A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 2.98Å; E223-R226 WeakPolarHBondContact O-CB 3.17Å; E223-R226 PolarHBondContact O-N 2.81Å; A224-R226 PolarHBondContact O-N 3.42Å; R226-Q229 PolarHBondContact O-N 3.38Å; R226-R230 PolarHBondContact O-N 3.48Å |
| 227 | L | 95 | Very high | 92.7 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.8 | -71.5 | 174 | 0 | 0 | 0 | 111.5 | E223 A224 E225 Q229 R230 V231 | E223-L227 HydrophobicContact CG-CD1 4.48Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.86Å; A224-L227 PolarHBondContact O-N 3.15Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.42Å; L227-Q229 PolarHBondContact O-N 3.45Å; L227-R230 PolarHBondContact O-N 3.36Å; L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.81Å |
| 228 | Q | 95.4 | Very high | 91.6 | Very high | 137 Ų | 137 | 98.8 Ų | 98.8 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 174.9 | -75.5 | 177.6 | -13.4 | 0 | 0 | 112.1 | A224 E225 R230 V231 A232 | A224-Q228 WeakPolarHBondContact O-CG 3.22Å; A224-Q228 PolarHBondContact O-N 2.87Å; E225-Q228 PolarHBondContact O-N 3.15Å; Q228-R230 VanDerWaalsContact C-N 3.32Å; Q228-R230 PolarHBondContact O-N 3.44Å; Q228-V231 PolarHBondContact O-N 2.83Å; Q228-A232 PolarHBondContact O-N 3.46Å |
| 229 | Q | 95.5 | Very high | 90.4 | Very high | 124 Ų | 124 | 97 Ų | 97 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 174.1 | -71.7 | 172.2 | 6.5 | 0 | 0 | 111.2 | E225 R226 L227 V231 A232 E233 | E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.15Å; R226-Q229 PolarHBondContact O-N 3.38Å; L227-Q229 PolarHBondContact O-N 3.45Å; Q229-V231 VanDerWaalsContact C-N 3.35Å; Q229-V231 PolarHBondContact O-N 3.09Å; Q229-A232 PolarHBondContact O-N 2.95Å; Q229-E233 WeakPolarHBondContact O-CG 3.43Å; Q229-E233 PolarHBondContact O-N 3.45Å |
| 230 | R | 94.8 | Very high | 88.9 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 48% | 0.475 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 178.6 | -174.5 | 55.9 | 178.4 | 173.9 | 3.5 | 112.8 | R226 L227 Q228 E233 L234 | R226-R230 PolarHBondContact O-N 3.48Å; L227-R230 PolarHBondContact O-N 3.36Å; Q228-R230 VanDerWaalsContact C-N 3.32Å; Q228-R230 PolarHBondContact O-N 3.44Å; R230-E233 WeakPolarHBondContact CD-OE2 3.33Å; R230-E233 IonicContact CZ-OE2 2.67Å; R230-E233 IonicContact NH1-OE2 2.72Å; R230-E233 PolarHBondContact NH1-OE2 3.41Å; R230-E233 PolarHBondContact O-N 3.35Å; R230-L234 HydrophobicContact CG-CD1 4.36Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å; R230-L234 VanDerWaalsContact O-N 3.08Å |
| 231 | V | 90.9 | Very high | 86.8 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L227 Q228 Q229 E233 L234 E235 | L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.81Å; Q228-V231 PolarHBondContact O-N 2.83Å; Q229-V231 VanDerWaalsContact C-N 3.35Å; Q229-V231 PolarHBondContact O-N 3.09Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.92Å; V231-L234 PolarHBondContact O-N 3.36Å; V231-L234 VanDerWaalsContact O-N 3.1Å; V231-E235 HydrophobicContact CG1-CG 4.33Å; V231-E235 WeakPolarHBondContact O-CG 3.31Å; V231-E235 PolarHBondContact O-N 2.91Å |
| 232 | A | 91 | Very high | 84.9 | Confident | 54 Ų | 54 | 96.7 Ų | 96.7 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q228 Q229 E235 A236 | Q228-A232 PolarHBondContact O-N 3.46Å; Q229-A232 PolarHBondContact O-N 2.95Å; A232-E235 PolarHBondContact O-N 3.32Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.65Å |
| 233 | E | 90.6 | Very high | 82.9 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 173.3 | -75.6 | 175.9 | -177.7 | 0 | 0 | 112.6 | Q229 R230 V231 Q237 | Q229-E233 WeakPolarHBondContact O-CG 3.43Å; Q229-E233 PolarHBondContact O-N 3.45Å; R230-E233 WeakPolarHBondContact CD-OE2 3.33Å; R230-E233 IonicContact CZ-OE2 2.67Å; R230-E233 IonicContact NH1-OE2 2.72Å; R230-E233 PolarHBondContact NH1-OE2 3.41Å; R230-E233 PolarHBondContact O-N 3.35Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.92Å; E233-Q237 WeakPolarHBondContact O-CG 3.37Å; E233-Q237 PolarHBondContact O-N 3.26Å; E233-Q237 PolarHBondContact O-NE2 2.83Å |
| 234 | L | 87.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.435 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.2 | -38.4 | 179.3 | -72.2 | 172.8 | 0 | 0 | 0 | 111.5 | R230 V231 Q237 A238 | R230-L234 HydrophobicContact CG-CD1 4.36Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å; R230-L234 VanDerWaalsContact O-N 3.08Å; V231-L234 PolarHBondContact O-N 3.36Å; V231-L234 VanDerWaalsContact O-N 3.1Å; L234-Q237 PolarHBondContact O-N 3.46Å; L234-A238 WeakPolarHBondContact O-CB 3.35Å; L234-A238 PolarHBondContact O-N 3.04Å |
| 235 | E | 85.1 | Confident | 78.7 | Confident | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -40.4 | 173.4 | -72.5 | 177.8 | 169.4 | 0 | 0 | 111.7 | V231 A232 A238 A239 | V231-E235 HydrophobicContact CG1-CG 4.33Å; V231-E235 WeakPolarHBondContact O-CG 3.31Å; V231-E235 PolarHBondContact O-N 2.91Å; A232-E235 PolarHBondContact O-N 3.32Å; E235-A238 PolarHBondContact O-N 3.47Å; E235-A239 WeakPolarHBondContact O-CB 3.45Å; E235-A239 PolarHBondContact O-N 3.15Å |
| 236 | A | 83.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A232 A239 A240 | A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.65Å; A236-A239 PolarHBondContact O-N 3.26Å; A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 2.93Å |
| 237 | Q | 79.8 | Confident | 74.6 | Confident | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.8 | -43.3 | 173.9 | -78.4 | 164.1 | 70.6 | 0 | 0 | 111.7 | E233 L234 A239 A240 E241 | E233-Q237 WeakPolarHBondContact O-CG 3.37Å; E233-Q237 PolarHBondContact O-N 3.26Å; E233-Q237 PolarHBondContact O-NE2 2.83Å; L234-Q237 PolarHBondContact O-N 3.46Å; Q237-A239 VanDerWaalsContact C-N 3.31Å; Q237-A239 PolarHBondContact O-N 2.97Å; Q237-A240 PolarHBondContact O-N 3.24Å; Q237-A240 VanDerWaalsContact O-N 3.15Å; Q237-E241 PolarHBondContact O-N 3.44Å |
| 238 | A | 74.4 | Confident | 72.6 | Confident | 70 Ų | 70 | 105.5 Ų | 105.5 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -33.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L234 E235 A240 | L234-A238 WeakPolarHBondContact O-CB 3.35Å; L234-A238 PolarHBondContact O-N 3.04Å; E235-A238 PolarHBondContact O-N 3.47Å; A238-A240 VanDerWaalsContact C-N 3.3Å |
| 239 | A | 69.7 | Low | 70.7 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 75% | 0.752 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74 | -18.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E235 A236 Q237 | E235-A239 WeakPolarHBondContact O-CB 3.45Å; E235-A239 PolarHBondContact O-N 3.15Å; A236-A239 PolarHBondContact O-N 3.26Å; Q237-A239 VanDerWaalsContact C-N 3.31Å; Q237-A239 PolarHBondContact O-N 2.97Å |
| 240 | A | 63.9 | Low | 69 | Low | 79 Ų | 79 | 103.4 Ų | 103.4 | 65% | 0.653 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -3.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A236 Q237 A238 P242 | A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 2.93Å; Q237-A240 PolarHBondContact O-N 3.24Å; Q237-A240 VanDerWaalsContact O-N 3.15Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A240-P242 VanDerWaalsContact O-CD 3.3Å; A240-P242 WeakPolarHBondContact O-CD 3.36Å |
| 241 | E | 50.8 | Low | 67.4 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | trans | -88.5 | 111.7 | -175.6 | -140.5 | 170.4 | -164 | 0 | 0 | 110.9 | Q237 | Q237-E241 PolarHBondContact O-N 3.44Š| ||
| 242 | P | 56.1 | Low | 66.4 | Low | 95 Ų | 95 | 99.7 Ų | 99.7 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | trans | -80.9 | 123.2 | 174.3 | 30.9 | -28.4 | 0 | 0 | 0 | 109.9 | A240 L244 | A240-P242 VanDerWaalsContact O-CD 3.3Å; A240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-L244 PolarHBondContact O-N 2.93Å | ||
| 243 | V | 54.9 | Low | 65.6 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 74% | 0.739 | 60% | 0.604 | S | S | * | * | trans | -57.7 | 109.5 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 244 | L | 53.3 | Low | 65.1 | Low | 126 Ų | 126 | 101 Ų | 101 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | trans | -122.7 | 125.5 | 173.4 | -73.1 | 176.6 | 0 | 0 | 0 | 109.8 | P242 G246 E247 | P242-L244 PolarHBondContact O-N 2.93Å; L244-G246 PolarHBondContact O-N 3.5Å; L244-E247 PolarHBondContact N-OE1 3.46Å; L244-E247 WeakPolarHBondContact O-CG 3.31Å; L244-E247 PolarHBondContact O-N 3.45Å | ||
| 245 | V | 47.7 | Very low | 64.7 | Low | 155 Ų | 155 | 100.6 Ų | 100.6 | 94% | 0.939 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 32.9 | -170.4 | -177.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 246 | G | 52.5 | Low | 64.7 | Low | 62 Ų | 62 | 100.6 Ų | 100.6 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L244 K248 | L244-G246 PolarHBondContact O-N 3.5Å; G246-K248 VanDerWaalsContact C-N 3.3Å; G246-K248 PolarHBondContact O-N 3.38Å |
| 247 | E | 54.3 | Low | 64.8 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 43% | 0.425 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.2 | -19.9 | -168.3 | -79.3 | 157.7 | -163.4 | 0 | 0 | 115.7 | L244 E249 A251 | L244-E247 PolarHBondContact N-OE1 3.46Å; L244-E247 WeakPolarHBondContact O-CG 3.31Å; L244-E247 PolarHBondContact O-N 3.45Å; E247-E249 PolarHBondContact O-N 3.26Å; E247-A251 WeakPolarHBondContact O-CA 3.49Å; E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 3.26Å |
| 248 | K | 53.1 | Low | 65.1 | Low | 188 Ų | 188 | 103.3 Ų | 103.3 | 82% | 0.817 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.4 | -37.8 | -170.2 | -132.9 | -178.3 | -175.9 | -176.1 | 0 | 113.8 | G246 S252 | G246-K248 VanDerWaalsContact C-N 3.3Å; G246-K248 PolarHBondContact O-N 3.38Å; K248-S252 VanDerWaalsContact O-CB 3.25Å; K248-S252 WeakPolarHBondContact O-CB 3.44Å; K248-S252 PolarHBondContact O-N 3.1Å |
| 249 | E | 55.7 | Low | 65.7 | Low | 156 Ų | 156 | 105.5 Ų | 105.5 | 73% | 0.729 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.3 | -38.5 | 178.2 | -70.1 | -178.9 | 170.2 | 0 | 0 | 111.8 | E247 S252 Q253 | E247-E249 PolarHBondContact O-N 3.26Å; E249-S252 PolarHBondContact O-N 3.36Å; E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.87Å |
| 250 | A | 59.3 | Low | 66.7 | Low | 60 Ų | 60 | 103.7 Ų | 103.7 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q253 S254 | A250-Q253 PolarHBondContact O-N 3.5Å; A250-S254 VanDerWaalsContact O-CB 3.25Å; A250-S254 WeakPolarHBondContact O-CB 3.42Å; A250-S254 PolarHBondContact O-N 3.34Å |
| 251 | A | 61 | Low | 68 | Low | 49 Ų | 49 | 107.3 Ų | 107.3 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | E247 Q253 S254 V255 | E247-A251 WeakPolarHBondContact O-CA 3.49Å; E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 3.26Å; A251-Q253 PolarHBondContact O-N 3.03Å; A251-S254 PolarHBondContact O-N 3.33Å; A251-V255 WeakPolarHBondContact O-CB 3.16Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 2.94Å |
| 252 | S | 69.3 | Low | 69.7 | Low | 75 Ų | 75 | 104 Ų | 104 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -43.6 | 174.2 | -163.9 | 0 | 0 | 0 | 0 | 111.7 | K248 E249 V255 E256 | K248-S252 VanDerWaalsContact O-CB 3.25Å; K248-S252 WeakPolarHBondContact O-CB 3.44Å; K248-S252 PolarHBondContact O-N 3.1Å; E249-S252 PolarHBondContact O-N 3.36Å; S252-V255 PolarHBondContact O-N 3.38Å; S252-E256 WeakPolarHBondContact O-CB 3.19Å; S252-E256 PolarHBondContact O-N 3.19Å |
| 253 | Q | 74.7 | Confident | 71.5 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68 | -35.6 | 175.4 | -71.5 | 174.2 | 10.4 | 0 | 0 | 112.4 | E249 A250 A251 Q257 | E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.87Å; A250-Q253 PolarHBondContact O-N 3.5Å; A251-Q253 PolarHBondContact O-N 3.03Å; Q253-Q257 WeakPolarHBondContact O-CG 3.24Å; Q253-Q257 PolarHBondContact O-N 3.28Å |
| 254 | S | 80 | Confident | 73.3 | Confident | 58 Ų | 58 | 103.5 Ų | 103.5 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -40.4 | 176 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | A250 A251 Q257 L258 | A250-S254 VanDerWaalsContact O-CB 3.25Å; A250-S254 WeakPolarHBondContact O-CB 3.42Å; A250-S254 PolarHBondContact O-N 3.34Å; A251-S254 PolarHBondContact O-N 3.33Å; S254-Q257 PolarHBondContact O-N 2.85Å; S254-L258 WeakPolarHBondContact O-CB 3.41Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å |
| 255 | V | 79.7 | Confident | 75.1 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -46.2 | 174 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | A251 S252 Q257 L258 E259 | A251-V255 WeakPolarHBondContact O-CB 3.16Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 2.94Å; S252-V255 PolarHBondContact O-N 3.38Å; V255-Q257 VanDerWaalsContact C-N 3.34Å; V255-Q257 PolarHBondContact O-N 3.42Å; V255-L258 PolarHBondContact O-N 3.25Å; V255-L258 VanDerWaalsContact O-N 3.15Å; V255-E259 HydrophobicContact CG1-CG 4.39Å; V255-E259 WeakPolarHBondContact O-CB 3.24Å; V255-E259 WeakPolarHBondContact O-CG 3.5Å; V255-E259 PolarHBondContact O-N 3.31Å |
| 256 | E | 84.5 | Confident | 77 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 177.5 | -168 | 174.4 | -171.3 | 0 | 0 | 112.1 | S252 E259 A260 | S252-E256 WeakPolarHBondContact O-CB 3.19Å; S252-E256 PolarHBondContact O-N 3.19Å; E256-E259 PolarHBondContact O-N 2.84Å; E256-A260 PolarHBondContact O-N 3.42Å |
| 257 | Q | 87 | Confident | 79 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 173.4 | -75.4 | 178.1 | 19 | 0 | 0 | 112.9 | Q253 S254 V255 R261 | Q253-Q257 WeakPolarHBondContact O-CG 3.24Å; Q253-Q257 PolarHBondContact O-N 3.28Å; S254-Q257 PolarHBondContact O-N 2.85Å; V255-Q257 VanDerWaalsContact C-N 3.34Å; V255-Q257 PolarHBondContact O-N 3.42Å; Q257-R261 WeakPolarHBondContact O-CB 3.38Å; Q257-R261 PolarHBondContact O-N 3.23Å; Q257-R261 VanDerWaalsContact O-N 3.09Å |
| 258 | L | 84.5 | Confident | 80.8 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.2 | -74.8 | 171.2 | 0 | 0 | 0 | 111.3 | S254 V255 R261 V262 | S254-L258 WeakPolarHBondContact O-CB 3.41Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å; V255-L258 PolarHBondContact O-N 3.25Å; V255-L258 VanDerWaalsContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 2.89Å; L258-V262 WeakPolarHBondContact O-CB 3.31Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å |
| 259 | E | 88.3 | Confident | 82.4 | Confident | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.6 | -76.6 | 179.3 | 174.8 | 0 | 0 | 111.6 | V255 E256 R261 V262 Q263 | V255-E259 HydrophobicContact CG1-CG 4.39Å; V255-E259 WeakPolarHBondContact O-CB 3.24Å; V255-E259 WeakPolarHBondContact O-CG 3.5Å; V255-E259 PolarHBondContact O-N 3.31Å; E256-E259 PolarHBondContact O-N 2.84Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.95Å; E259-V262 PolarHBondContact O-N 3.02Å; E259-Q263 WeakPolarHBondContact O-CG 3.43Å; E259-Q263 PolarHBondContact O-N 2.92Å |
| 260 | A | 90.5 | Very high | 83.9 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E256 T264 | E256-A260 PolarHBondContact O-N 3.42Å; A260-T264 PolarHBondContact O-N 2.64Å; A260-T264 PolarHBondContact O-OG1 2.8Å |
| 261 | R | 89.9 | Confident | 85.1 | Confident | 156 Ų | 156 | 99 Ų | 99 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.6 | -34.4 | 178.5 | -143.2 | 174 | 69.8 | 177.4 | 1.3 | 112.3 | Q257 L258 E259 K265 | Q257-R261 WeakPolarHBondContact O-CB 3.38Å; Q257-R261 PolarHBondContact O-N 3.23Å; Q257-R261 VanDerWaalsContact O-N 3.09Å; L258-R261 PolarHBondContact O-N 2.89Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.95Å; R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å; R261-K265 PolarHBondContact O-N 3.05Å |
| 262 | V | 88.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -48.5 | 171.7 | 167.9 | 0 | 0 | 0 | 0 | 109.8 | L258 E259 T264 K265 D266 | L258-V262 WeakPolarHBondContact O-CB 3.31Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å; E259-V262 PolarHBondContact O-N 3.02Å; V262-T264 VanDerWaalsContact C-N 3.29Å; V262-T264 PolarHBondContact O-N 3.37Å; V262-K265 CarbonylContact O-C 3.51Å; V262-K265 PolarHBondContact O-N 3.27Å; V262-K265 VanDerWaalsContact O-N 3.08Å; V262-D266 WeakPolarHBondContact CG1-OD2 3.3Å; V262-D266 PolarHBondContact O-N 2.95Å |
| 263 | Q | 91.9 | Very high | 86.8 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.7 | -41.6 | 176.8 | -76.7 | -177.3 | 8.2 | 0 | 0 | 112.6 | E259 D266 Q267 | E259-Q263 WeakPolarHBondContact O-CG 3.43Å; E259-Q263 PolarHBondContact O-N 2.92Å; Q263-D266 PolarHBondContact O-N 3.49Å; Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.21Å; Q263-Q267 PolarHBondContact O-N 3.37Å |
| 264 | T | 93.3 | Very high | 87 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | A260 V262 Q267 E268 | A260-T264 PolarHBondContact O-N 2.64Å; A260-T264 PolarHBondContact O-OG1 2.8Å; V262-T264 VanDerWaalsContact C-N 3.29Å; V262-T264 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact O-N 2.84Å; T264-E268 PolarHBondContact O-N 3.47Å |
| 265 | K | 91.4 | Very high | 86.9 | Confident | 118 Ų | 118 | 106.9 Ų | 106.9 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 175.8 | -81.7 | -175.3 | 155.3 | 171.5 | 0 | 112.7 | R261 V262 E268 I269 | R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å; R261-K265 PolarHBondContact O-N 3.05Å; V262-K265 CarbonylContact O-C 3.51Å; V262-K265 PolarHBondContact O-N 3.27Å; V262-K265 VanDerWaalsContact O-N 3.08Å; K265-E268 PolarHBondContact O-N 3.27Å; K265-I269 WeakPolarHBondContact O-CB 3.48Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.94Å |
| 266 | D | 88.8 | Confident | 85.9 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.1 | -72.4 | -27.5 | 0 | 0 | 0 | 111.2 | V262 Q263 I269 Q270 | V262-D266 WeakPolarHBondContact CG1-OD2 3.3Å; V262-D266 PolarHBondContact O-N 2.95Å; Q263-D266 PolarHBondContact O-N 3.49Å; D266-I269 PolarHBondContact O-N 3.45Å; D266-Q270 WeakPolarHBondContact O-CB 3.33Å; D266-Q270 PolarHBondContact O-N 2.91Å |
| 267 | Q | 93.1 | Very high | 84.8 | Confident | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 172.4 | -71.5 | 173.8 | 12.8 | 0 | 0 | 111.5 | Q263 T264 Q270 T271 | Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.21Å; Q263-Q267 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact O-N 2.84Å; Q267-Q270 PolarHBondContact O-N 2.97Å; Q267-T271 PolarHBondContact O-N 3.34Å; Q267-T271 PolarHBondContact O-OG1 3.1Å |
| 268 | E | 91.8 | Very high | 83.5 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.2 | -171.9 | 177.9 | -170.8 | 0 | 0 | 111.9 | T264 K265 Q270 T271 L272 | T264-E268 PolarHBondContact O-N 3.47Å; K265-E268 PolarHBondContact O-N 3.27Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3Å; E268-T271 PolarHBondContact O-N 2.97Å; E268-T271 VanDerWaalsContact O-N 3.15Å; E268-L272 HydrophobicContact CG-CD1 4.06Å; E268-L272 HydrophobicContact CG-CG 4.46Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.88Å |
| 269 | I | 86.6 | Confident | 82.3 | Confident | 101 Ų | 101 | 100.3 Ų | 100.3 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 174.9 | -72.2 | 165 | 0 | 0 | 0 | 110.5 | K265 D266 T271 L272 K273 | K265-I269 WeakPolarHBondContact O-CB 3.48Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.94Å; D266-I269 PolarHBondContact O-N 3.45Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.89Å; I269-L272 PolarHBondContact O-N 3.2Å; I269-K273 WeakPolarHBondContact O-CB 3.42Å; I269-K273 PolarHBondContact O-N 3.16Å |
| 270 | Q | 87.3 | Confident | 80.9 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -36.9 | 178.8 | -168.3 | 156.5 | 6.1 | 0 | 0 | 111.9 | D266 Q267 E268 N274 | D266-Q270 WeakPolarHBondContact O-CB 3.33Å; D266-Q270 PolarHBondContact O-N 2.91Å; Q267-Q270 PolarHBondContact O-N 2.97Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3Å; Q270-N274 PolarHBondContact O-N 3.37Å; Q270-N274 VanDerWaalsContact O-N 3.09Å; Q270-N274 PolarHBondContact O-ND2 3.05Å; Q270-N274 PolarHBondContact O-OD1 2.87Å |
| 271 | T | 86.3 | Confident | 79.4 | Confident | 73 Ų | 73 | 107.6 Ų | 107.6 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.1 | -45.6 | 177.1 | -42.5 | 0 | 0 | 0 | 0 | 110.9 | Q267 E268 I269 K273 N274 Q275 | Q267-T271 PolarHBondContact O-N 3.34Å; Q267-T271 PolarHBondContact O-OG1 3.1Å; E268-T271 PolarHBondContact O-N 2.97Å; E268-T271 VanDerWaalsContact O-N 3.15Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.89Å; T271-K273 VanDerWaalsContact C-N 3.35Å; T271-K273 PolarHBondContact O-N 3.35Å; T271-N274 PolarHBondContact O-N 3.39Å; T271-Q275 WeakPolarHBondContact O-CG 3.43Å; T271-Q275 PolarHBondContact O-N 3.42Å |
| 272 | L | 82.9 | Confident | 78.1 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 175.6 | -71.7 | 172.9 | 0 | 0 | 0 | 112.2 | E268 I269 Q275 S276 | E268-L272 HydrophobicContact CG-CD1 4.06Å; E268-L272 HydrophobicContact CG-CG 4.46Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.88Å; I269-L272 PolarHBondContact O-N 3.2Å; L272-Q275 PolarHBondContact O-N 3.44Å; L272-S276 VanDerWaalsContact O-CB 3.22Å; L272-S276 WeakPolarHBondContact O-CB 3.26Å; L272-S276 PolarHBondContact O-N 3.06Å |
| 273 | K | 82 | Confident | 76.8 | Confident | 150 Ų | 150 | 102.1 Ų | 102.1 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 176.1 | -170.5 | 175 | -177.7 | 179.7 | 0 | 111.4 | I269 T271 S276 S277 | I269-K273 WeakPolarHBondContact O-CB 3.42Å; I269-K273 PolarHBondContact O-N 3.16Å; T271-K273 VanDerWaalsContact C-N 3.35Å; T271-K273 PolarHBondContact O-N 3.35Å; K273-S276 PolarHBondContact O-N 2.99Å; K273-S277 PolarHBondContact O-N 3.41Å; K273-S277 PolarHBondContact O-OG 3.49Å |
| 274 | N | 79.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -35.8 | 176.6 | -67.8 | -12.7 | 0 | 0 | 0 | 112.4 | Q270 T271 S277 G278 | Q270-N274 PolarHBondContact O-N 3.37Å; Q270-N274 VanDerWaalsContact O-N 3.09Å; Q270-N274 PolarHBondContact O-ND2 3.05Å; Q270-N274 PolarHBondContact O-OD1 2.87Å; T271-N274 PolarHBondContact O-N 3.39Å; N274-S277 PolarHBondContact O-OG 3.21Å; N274-S277 VanDerWaalsContact O-OG 3.1Å; N274-G278 PolarHBondContact O-N 2.96Å |
| 275 | Q | 77.8 | Confident | 74.9 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72 | -41 | 174.9 | -70.3 | 173.3 | 3.2 | 0 | 0 | 111.7 | T271 L272 G278 T279 | T271-Q275 WeakPolarHBondContact O-CG 3.43Å; T271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 PolarHBondContact O-N 3.44Å; Q275-G278 PolarHBondContact O-N 3.38Å; Q275-T279 PolarHBondContact O-N 3.3Å; Q275-T279 PolarHBondContact O-OG1 2.98Å |
| 276 | S | 59.3 | Low | 74.4 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | L272 K273 R280 | L272-S276 VanDerWaalsContact O-CB 3.22Å; L272-S276 WeakPolarHBondContact O-CB 3.26Å; L272-S276 PolarHBondContact O-N 3.06Å; K273-S276 PolarHBondContact O-N 2.99Å; S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 2.96Å |
| 277 | S | 59.6 | Low | 74.2 | Confident | 56 Ų | 56 | 100 Ų | 100 | 39% | 0.392 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 176 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | K273 N274 E281 | K273-S277 PolarHBondContact O-N 3.41Å; K273-S277 PolarHBondContact O-OG 3.49Å; N274-S277 PolarHBondContact O-OG 3.21Å; N274-S277 VanDerWaalsContact O-OG 3.1Å; S277-E281 PolarHBondContact O-N 2.95Å |
| 278 | G | 60.2 | Low | 73.8 | Confident | 51 Ų | 51 | 102.6 Ų | 102.6 | 53% | 0.526 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.8 | -34.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N274 Q275 | N274-G278 PolarHBondContact O-N 2.96Å; Q275-G278 PolarHBondContact O-N 3.38Å |
| 279 | T | 59 | Low | 73.7 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -84.7 | -26.7 | -177.8 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | Q275 P283 | Q275-T279 PolarHBondContact O-N 3.3Å; Q275-T279 PolarHBondContact O-OG1 2.98Å; T279-P283 VanDerWaalsContact O-CD 3.26Å; T279-P283 WeakPolarHBondContact O-CD 3.23Å |
| 280 | R | 59.3 | Low | 74.1 | Confident | 185 Ų | 185 | 105.4 Ų | 105.4 | 70% | 0.698 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -86 | -30.8 | -175.8 | -169.9 | 174.3 | 177.9 | -176.7 | -0.4 | 113.7 | S276 | S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 2.96Å |
| 281 | E | 59.4 | Low | 74.2 | Confident | 136 Ų | 136 | 103.2 Ų | 103.2 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.2 | -36.3 | -176.9 | -69.3 | -177.8 | 172.9 | 0 | 0 | 112.9 | S277 T285 | S277-E281 PolarHBondContact O-N 2.95Å; E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 WeakPolarHBondContact O-CG2 3.44Å; E281-T285 PolarHBondContact O-N 2.98Å; E281-T285 PolarHBondContact O-OG1 3.18Å |
| 282 | A | 61.8 | Low | 74.6 | Confident | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -43.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | T285 T286 | A282-T285 PolarHBondContact O-OG1 2.87Å; A282-T285 VanDerWaalsContact O-OG1 3.05Å; A282-T286 PolarHBondContact O-N 3.3Å; A282-T286 PolarHBondContact O-OG1 2.98Å |
| 283 | P | 62.7 | Low | 75.2 | Confident | 62 Ų | 62 | 106.1 Ų | 106.1 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.9 | -39.3 | 178.3 | 26.7 | -31 | 0 | 0 | 0 | 112.4 | T279 T285 T286 E287 | T279-P283 VanDerWaalsContact O-CD 3.26Å; T279-P283 WeakPolarHBondContact O-CD 3.23Å; P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 3.42Å; P283-T286 WeakPolarHBondContact CA-OG1 3.38Å; P283-T286 PolarHBondContact O-N 2.76Å; P283-T286 PolarHBondContact O-OG1 3.36Å; P283-T286 VanDerWaalsContact O-OG1 3.05Å; P283-E287 PolarHBondContact O-N 3.04Å; P283-E287 VanDerWaalsContact O-N 3.1Å |
| 284 | D | 69.3 | Low | 75.9 | Confident | 101 Ų | 101 | 105.8 Ų | 105.8 | 54% | 0.54 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 178.3 | -81.9 | -4.9 | 0 | 0 | 0 | 111.8 | R288 | D284-R288 WeakPolarHBondContact O-CB 3.22Å; D284-R288 PolarHBondContact O-N 2.88Å |
| 285 | T | 75.4 | Confident | 76.7 | Confident | 68 Ų | 68 | 104.4 Ų | 104.4 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.3 | -38.2 | 176.6 | 54 | 0 | 0 | 0 | 0 | 112.6 | E281 A282 P283 R288 E289 | E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 WeakPolarHBondContact O-CG2 3.44Å; E281-T285 PolarHBondContact O-N 2.98Å; E281-T285 PolarHBondContact O-OG1 3.18Å; A282-T285 PolarHBondContact O-OG1 2.87Å; A282-T285 VanDerWaalsContact O-OG1 3.05Å; P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 3.42Å; T285-R288 PolarHBondContact O-N 2.91Å; T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 2.98Å |
| 286 | T | 81.4 | Confident | 77.6 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -44 | -179.4 | 32.2 | 0 | 0 | 0 | 0 | 111.8 | A282 P283 R288 E289 E290 | A282-T286 PolarHBondContact O-N 3.3Å; A282-T286 PolarHBondContact O-OG1 2.98Å; P283-T286 WeakPolarHBondContact CA-OG1 3.38Å; P283-T286 PolarHBondContact O-N 2.76Å; P283-T286 PolarHBondContact O-OG1 3.36Å; P283-T286 VanDerWaalsContact O-OG1 3.05Å; T286-R288 VanDerWaalsContact C-N 3.27Å; T286-R288 PolarHBondContact O-N 3.29Å; T286-E289 PolarHBondContact O-N 3.49Å; T286-E290 WeakPolarHBondContact O-CG 3.32Å; T286-E290 PolarHBondContact O-N 3.44Å |
| 287 | E | 83.4 | Confident | 79.4 | Confident | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 173.9 | -69.3 | -175.4 | -178.3 | 0 | 0 | 112 | P283 T291 | P283-E287 PolarHBondContact O-N 3.04Å; P283-E287 VanDerWaalsContact O-N 3.1Å; E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 VanDerWaalsContact O-CG2 3.3Å; E287-T291 WeakPolarHBondContact O-CG2 3.43Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 2.86Å |
| 288 | R | 84.9 | Confident | 81.1 | Confident | 180 Ų | 180 | 107.3 Ų | 107.3 | 68% | 0.679 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 174.9 | -174 | 175.9 | 177.6 | 173.8 | -0.5 | 112.4 | D284 T285 T286 T291 Q292 | D284-R288 WeakPolarHBondContact O-CB 3.22Å; D284-R288 PolarHBondContact O-N 2.88Å; T285-R288 PolarHBondContact O-N 2.91Å; T286-R288 VanDerWaalsContact C-N 3.27Å; T286-R288 PolarHBondContact O-N 3.29Å; R288-T291 WeakPolarHBondContact CA-OG1 3.47Å; R288-T291 PolarHBondContact O-OG1 3.41Å; R288-Q292 WeakPolarHBondContact O-CB 3.3Å; R288-Q292 PolarHBondContact O-N 3.25Å |
| 289 | E | 90.4 | Very high | 82.8 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.8 | -43 | 175.4 | -76.3 | 173 | -175.1 | 0 | 0 | 111.7 | T285 T286 Q292 Q293 | T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 2.98Å; T286-E289 PolarHBondContact O-N 3.49Å; E289-Q292 PolarHBondContact O-N 3.47Å; E289-Q293 WeakPolarHBondContact O-CB 3.39Å; E289-Q293 PolarHBondContact O-N 3.31Å |
| 290 | E | 93.4 | Very high | 84.6 | Confident | 144 Ų | 144 | 109.7 Ų | 109.7 | 67% | 0.673 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 176.6 | -73.9 | -175.2 | 176.8 | 0 | 0 | 112.4 | T286 Q292 Q293 K294 | T286-E290 WeakPolarHBondContact O-CG 3.32Å; T286-E290 PolarHBondContact O-N 3.44Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q293 PolarHBondContact O-N 2.97Å; E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 PolarHBondContact O-N 3.08Å |
| 291 | T | 90.3 | Very high | 86.5 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.2 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | E287 R288 K294 V295 | E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 VanDerWaalsContact O-CG2 3.3Å; E287-T291 WeakPolarHBondContact O-CG2 3.43Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 2.86Å; R288-T291 WeakPolarHBondContact CA-OG1 3.47Å; R288-T291 PolarHBondContact O-OG1 3.41Å; T291-K294 PolarHBondContact O-N 3.48Å; T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.44Å |
| 292 | Q | 94.2 | Very high | 88.1 | Confident | 130 Ų | 130 | 105.3 Ų | 105.3 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 176.2 | -173.1 | 166.7 | -3 | 0 | 0 | 112.2 | R288 E289 E290 K294 V295 Q296 | R288-Q292 WeakPolarHBondContact O-CB 3.3Å; R288-Q292 PolarHBondContact O-N 3.25Å; E289-Q292 PolarHBondContact O-N 3.47Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.4Å; Q292-V295 PolarHBondContact O-N 3.25Å; Q292-Q296 PolarHBondContact O-N 3.2Å |
| 293 | Q | 96.5 | Very high | 89.9 | Confident | 97 Ų | 97 | 105 Ų | 105 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.4 | -173.6 | 60.8 | 48.2 | 0 | 0 | 111.2 | E289 E290 V295 Q296 D297 | E289-Q293 WeakPolarHBondContact O-CB 3.39Å; E289-Q293 PolarHBondContact O-N 3.31Å; E290-Q293 PolarHBondContact O-N 2.97Å; Q293-V295 VanDerWaalsContact C-N 3.33Å; Q293-V295 PolarHBondContact O-N 3Å; Q293-Q296 WeakPolarHBondContact O-CB 3.41Å; Q293-Q296 PolarHBondContact O-N 3.36Å; Q293-Q296 VanDerWaalsContact O-N 3.16Å; Q293-D297 PolarHBondContact NE2-OD1 3.33Å; Q293-D297 PolarHBondContact O-N 2.96Å |
| 294 | K | 97.2 | Very high | 91.5 | Very high | 143 Ų | 143 | 106 Ų | 106 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 178.9 | -169.2 | 169.4 | -176.1 | 175.6 | 0 | 112.8 | E290 T291 Q292 L298 | E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 PolarHBondContact O-N 3.08Å; T291-K294 PolarHBondContact O-N 3.48Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.4Å; K294-L298 VanDerWaalsContact O-CG 3.3Å; K294-L298 WeakPolarHBondContact O-CG 3.4Å; K294-L298 PolarHBondContact O-N 2.87Å; K294-L298 VanDerWaalsContact O-N 3.07Å |
| 295 | V | 94.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 104.9 Ų | 104.9 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173 | 169 | 0 | 0 | 0 | 0 | 110.2 | T291 Q292 Q293 D297 L298 E299 | T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.44Å; Q292-V295 PolarHBondContact O-N 3.25Å; Q293-V295 VanDerWaalsContact C-N 3.33Å; Q293-V295 PolarHBondContact O-N 3Å; V295-D297 PolarHBondContact O-N 3.11Å; V295-L298 PolarHBondContact O-N 3.15Å; V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CG 3.49Å; V295-E299 PolarHBondContact O-N 2.88Å |
| 296 | Q | 97.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 178.9 | -167.3 | 172.4 | 32.2 | 0 | 0 | 112.4 | Q292 Q293 L298 E299 T300 | Q292-Q296 PolarHBondContact O-N 3.2Å; Q293-Q296 WeakPolarHBondContact O-CB 3.41Å; Q293-Q296 PolarHBondContact O-N 3.36Å; Q293-Q296 VanDerWaalsContact O-N 3.16Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.41Å; Q296-E299 PolarHBondContact O-N 3.06Å; Q296-T300 WeakPolarHBondContact O-CG2 3.35Å; Q296-T300 PolarHBondContact O-N 3.05Å; Q296-T300 PolarHBondContact O-OG1 3.38Å |
| 297 | D | 97.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 109 Ų | 109 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.2 | -67.9 | -8.1 | 0 | 0 | 0 | 111.6 | Q293 V295 T300 R301 | Q293-D297 PolarHBondContact NE2-OD1 3.33Å; Q293-D297 PolarHBondContact O-N 2.96Å; V295-D297 PolarHBondContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.48Å; D297-R301 WeakPolarHBondContact O-CB 3.48Å; D297-R301 PolarHBondContact O-N 3.32Å |
| 298 | L | 95.3 | Very high | 95.4 | Very high | 113 Ų | 113 | 107.6 Ų | 107.6 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 175.4 | -72.6 | 173.5 | 0 | 0 | 0 | 112.2 | K294 V295 Q296 R301 N302 | K294-L298 VanDerWaalsContact O-CG 3.3Å; K294-L298 WeakPolarHBondContact O-CG 3.4Å; K294-L298 PolarHBondContact O-N 2.87Å; K294-L298 VanDerWaalsContact O-N 3.07Å; V295-L298 PolarHBondContact O-N 3.15Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.41Å; L298-R301 PolarHBondContact O-N 3.48Å; L298-N302 VanDerWaalsContact O-CB 3.28Å; L298-N302 WeakPolarHBondContact O-CB 3.4Å; L298-N302 PolarHBondContact O-N 3.07Å |
| 299 | E | 96.3 | Very high | 96 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 176.4 | -75.1 | 175.7 | 170.3 | 0 | 0 | 111.7 | V295 Q296 N302 A303 | V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CG 3.49Å; V295-E299 PolarHBondContact O-N 2.88Å; Q296-E299 PolarHBondContact O-N 3.06Å; E299-N302 PolarHBondContact O-N 2.88Å; E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 2.98Å |
| 300 | T | 97.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 105.1 Ų | 105.1 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.9 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | Q296 D297 N302 A303 E304 | Q296-T300 WeakPolarHBondContact O-CG2 3.35Å; Q296-T300 PolarHBondContact O-N 3.05Å; Q296-T300 PolarHBondContact O-OG1 3.38Å; D297-T300 PolarHBondContact O-OG1 3.48Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 2.93Å; T300-A303 PolarHBondContact O-N 2.98Å; T300-E304 PolarHBondContact O-N 3Å |
| 301 | R | 97.8 | Very high | 96.6 | Very high | 136 Ų | 136 | 102 Ų | 102 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 177 | -167.5 | 63.7 | 176.6 | 171.6 | -1.2 | 112.3 | D297 L298 E304 L305 | D297-R301 WeakPolarHBondContact O-CB 3.48Å; D297-R301 PolarHBondContact O-N 3.32Å; L298-R301 PolarHBondContact O-N 3.48Å; R301-E304 IonicContact CZ-OE2 3.34Å; R301-E304 IonicContact NH1-OE1 3.03Å; R301-E304 IonicContact NH1-OE2 2.66Å; R301-E304 PolarHBondContact NH1-OE2 2.85Å; R301-E304 PolarHBondContact O-N 3Å; R301-L305 WeakPolarHBondContact O-CG 3.4Å; R301-L305 PolarHBondContact O-N 3.41Å |
| 302 | N | 94.4 | Very high | 96.9 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.6 | -158.1 | 7.4 | 0 | 0 | 0 | 111 | L298 E299 T300 E304 L305 E306 | L298-N302 VanDerWaalsContact O-CB 3.28Å; L298-N302 WeakPolarHBondContact O-CB 3.4Å; L298-N302 PolarHBondContact O-N 3.07Å; E299-N302 PolarHBondContact O-N 2.88Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 2.93Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 3.3Å; N302-L305 PolarHBondContact O-N 3.03Å; N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.31Å |
| 303 | A | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 103.2 Ų | 103.2 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E299 T300 Q307 | E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 2.98Å; T300-A303 PolarHBondContact O-N 2.98Å; A303-Q307 PolarHBondContact O-N 2.67Å |
| 304 | E | 98 | Very high | 97.1 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 175.2 | -169 | -176.3 | -178.2 | 0 | 0 | 111.8 | T300 R301 N302 Q307 Q308 | T300-E304 PolarHBondContact O-N 3Å; R301-E304 IonicContact CZ-OE2 3.34Å; R301-E304 IonicContact NH1-OE1 3.03Å; R301-E304 IonicContact NH1-OE2 2.66Å; R301-E304 PolarHBondContact NH1-OE2 2.85Å; R301-E304 PolarHBondContact O-N 3Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 3.3Å; E304-Q307 PolarHBondContact O-N 3.01Å; E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.93Å |
| 305 | L | 97.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 97.8 Ų | 97.8 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | -72.2 | 172.8 | 0 | 0 | 0 | 112.1 | R301 N302 Q307 Q308 L309 | R301-L305 WeakPolarHBondContact O-CG 3.4Å; R301-L305 PolarHBondContact O-N 3.41Å; N302-L305 PolarHBondContact O-N 3.03Å; L305-Q307 VanDerWaalsContact C-N 3.3Å; L305-Q307 PolarHBondContact O-N 3.29Å; L305-Q308 PolarHBondContact O-N 3.41Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.24Å |
| 306 | E | 96.8 | Very high | 97.3 | Very high | 100 Ų | 100 | 98.1 Ų | 98.1 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 174.2 | -74 | -179.3 | 176.3 | 0 | 0 | 112.3 | N302 R310 | N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.31Å; E306-R310 WeakPolarHBondContact O-CG 3.06Å; E306-R310 PolarHBondContact O-N 2.99Å; E306-R310 VanDerWaalsContact O-N 3.11Å; E306-R310 PolarHBondContact O-NE 3.3Å; E306-R310 VanDerWaalsContact O-NE 3.15Å |
| 307 | Q | 98.4 | Very high | 97.4 | Very high | 125 Ų | 125 | 99.2 Ų | 99.2 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -45.1 | 173.4 | -174.9 | 175.4 | -0.7 | 0 | 0 | 111.3 | A303 E304 L305 L309 R310 T311 | A303-Q307 PolarHBondContact O-N 2.67Å; E304-Q307 PolarHBondContact O-N 3.01Å; L305-Q307 VanDerWaalsContact C-N 3.3Å; L305-Q307 PolarHBondContact O-N 3.29Å; Q307-L309 PolarHBondContact O-N 2.89Å; Q307-R310 PolarHBondContact O-N 2.95Å; Q307-T311 PolarHBondContact O-N 3.24Å; Q307-T311 PolarHBondContact O-OG1 3.49Å; Q307-T311 VanDerWaalsContact O-OG1 3.14Å |
| 308 | Q | 98.1 | Very high | 97.4 | Very high | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.9 | -72.5 | 178.7 | 0.8 | 0 | 0 | 111.9 | E304 L305 T311 M312 | E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.93Å; L305-Q308 PolarHBondContact O-N 3.41Å; Q308-T311 PolarHBondContact O-N 3.48Å; Q308-M312 WeakPolarHBondContact O-CG 3.5Å; Q308-M312 PolarHBondContact O-N 2.91Å |
| 309 | L | 97.6 | Very high | 97.5 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.2 | -49.8 | 175.3 | -79.6 | 169.3 | 0 | 0 | 0 | 111.3 | L305 Q307 T311 M312 E313 | L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.24Å; Q307-L309 PolarHBondContact O-N 2.89Å; L309-T311 VanDerWaalsContact C-N 3.29Å; L309-T311 PolarHBondContact O-N 3.24Å; L309-M312 PolarHBondContact O-N 3.33Å; L309-M312 VanDerWaalsContact O-N 3.13Å; L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 WeakPolarHBondContact O-CG 3.39Å; L309-E313 PolarHBondContact O-N 3.16Å |
| 310 | R | 98.1 | Very high | 97.6 | Very high | 149 Ų | 149 | 100.5 Ų | 100.5 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.8 | -39.7 | 177.5 | -76.3 | -179.8 | -74.1 | -161 | -3.4 | 112.8 | E306 Q307 C314 | E306-R310 WeakPolarHBondContact O-CG 3.06Å; E306-R310 PolarHBondContact O-N 2.99Å; E306-R310 VanDerWaalsContact O-N 3.11Å; E306-R310 PolarHBondContact O-NE 3.3Å; E306-R310 VanDerWaalsContact O-NE 3.15Å; Q307-R310 PolarHBondContact O-N 2.95Å; R310-C314 WeakPolarHBondContact O-CB 3.28Å; R310-C314 PolarHBondContact O-N 2.92Å |
| 311 | T | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 98.7 Ų | 98.7 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Q307 Q308 L309 C314 S315 | Q307-T311 PolarHBondContact O-N 3.24Å; Q307-T311 PolarHBondContact O-OG1 3.49Å; Q307-T311 VanDerWaalsContact O-OG1 3.14Å; Q308-T311 PolarHBondContact O-N 3.48Å; L309-T311 VanDerWaalsContact C-N 3.29Å; L309-T311 PolarHBondContact O-N 3.24Å; T311-C314 PolarHBondContact O-N 3.45Å; T311-S315 WeakPolarHBondContact O-CB 3.34Å; T311-S315 PolarHBondContact O-N 3.43Å |
| 312 | M | 97.4 | Very high | 97.6 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 177.3 | -68.8 | -61.5 | 108.1 | 0 | 0 | 111.9 | Q308 L309 S315 L316 | Q308-M312 WeakPolarHBondContact O-CG 3.5Å; Q308-M312 PolarHBondContact O-N 2.91Å; L309-M312 PolarHBondContact O-N 3.33Å; L309-M312 VanDerWaalsContact O-N 3.13Å; M312-S315 PolarHBondContact O-N 3.03Å; M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.02Å |
| 313 | E | 97.2 | Very high | 97.8 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 175.3 | -74.6 | 174.7 | 155.6 | 0 | 0 | 111.5 | L309 S315 L316 E317 | L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 WeakPolarHBondContact O-CG 3.39Å; L309-E313 PolarHBondContact O-N 3.16Å; E313-S315 PolarHBondContact O-N 3.49Å; E313-L316 PolarHBondContact O-N 2.82Å; E313-L316 VanDerWaalsContact O-N 3.16Å; E313-E317 WeakPolarHBondContact O-CG 3.44Å; E313-E317 PolarHBondContact O-N 3.28Å |
| 314 | C | 97.9 | Very high | 97.8 | Very high | 63 Ų | 63 | 102.4 Ų | 102.4 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 176.9 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | R310 T311 L316 E317 E318 | R310-C314 WeakPolarHBondContact O-CB 3.28Å; R310-C314 PolarHBondContact O-N 2.92Å; T311-C314 PolarHBondContact O-N 3.45Å; C314-L316 VanDerWaalsContact C-N 3.27Å; C314-L316 PolarHBondContact O-N 3.13Å; C314-E317 PolarHBondContact O-N 3.02Å; C314-E318 WeakPolarHBondContact O-CG 3.37Å; C314-E318 PolarHBondContact O-N 2.87Å |
| 315 | S | 98 | Very high | 97.8 | Very high | 63 Ų | 63 | 105.3 Ų | 105.3 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 176.8 | 179 | 0 | 0 | 0 | 0 | 112.4 | T311 M312 E313 A319 | T311-S315 WeakPolarHBondContact O-CB 3.34Å; T311-S315 PolarHBondContact O-N 3.43Å; M312-S315 PolarHBondContact O-N 3.03Å; E313-S315 PolarHBondContact O-N 3.49Å; S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.26Å |
| 316 | L | 97.8 | Very high | 97.8 | Very high | 84 Ų | 84 | 103.7 Ų | 103.7 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 178.9 | -164.8 | 155.7 | 0 | 0 | 0 | 111.4 | M312 E313 C314 A319 R320 | M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.02Å; E313-L316 PolarHBondContact O-N 2.82Å; E313-L316 VanDerWaalsContact O-N 3.16Å; C314-L316 VanDerWaalsContact C-N 3.27Å; C314-L316 PolarHBondContact O-N 3.13Å; L316-A319 PolarHBondContact O-N 2.94Å; L316-R320 HydrophobicContact CD2-CG 4.11Å; L316-R320 VanDerWaalsContact CD2-NH1 3.33Å; L316-R320 VanDerWaalsContact CD2-NH2 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.47Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 3.32Å |
| 317 | E | 97.8 | Very high | 97.9 | Very high | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 172.8 | -72.9 | -177.5 | 172.2 | 0 | 0 | 112.1 | E313 C314 A319 R320 A321 | E313-E317 WeakPolarHBondContact O-CG 3.44Å; E313-E317 PolarHBondContact O-N 3.28Å; C314-E317 PolarHBondContact O-N 3.02Å; E317-A319 PolarHBondContact O-N 3.31Å; E317-R320 PolarHBondContact O-N 3.48Å; E317-A321 WeakPolarHBondContact O-CB 3.39Å; E317-A321 PolarHBondContact O-N 3.45Å |
| 318 | E | 97.9 | Very high | 97.9 | Very high | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 174.3 | -72.3 | 177.2 | 168.2 | 0 | 0 | 111.6 | C314 R320 A321 E322 | C314-E318 WeakPolarHBondContact O-CG 3.37Å; C314-E318 PolarHBondContact O-N 2.87Å; E318-R320 VanDerWaalsContact C-N 3.33Å; E318-R320 PolarHBondContact O-N 3.14Å; E318-A321 PolarHBondContact O-N 3.24Å; E318-E322 WeakPolarHBondContact O-CB 3.34Å; E318-E322 PolarHBondContact O-N 2.94Å |
| 319 | A | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 106.1 Ų | 106.1 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S315 L316 E317 R323 | S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.26Å; L316-A319 PolarHBondContact O-N 2.94Å; E317-A319 PolarHBondContact O-N 3.31Å; A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 2.94Å |
| 320 | R | 97.8 | Very high | 97.9 | Very high | 165 Ų | 165 | 105.9 Ų | 105.9 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -44.8 | 173.5 | -77.1 | 175.6 | 176.4 | 152.9 | 2.5 | 111.4 | L316 E317 E318 E322 R323 E324 | L316-R320 HydrophobicContact CD2-CG 4.11Å; L316-R320 VanDerWaalsContact CD2-NH1 3.33Å; L316-R320 VanDerWaalsContact CD2-NH2 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.47Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 3.32Å; E317-R320 PolarHBondContact O-N 3.48Å; E318-R320 VanDerWaalsContact C-N 3.33Å; E318-R320 PolarHBondContact O-N 3.14Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 3.03Å; R320-R323 PolarHBondContact O-N 3.39Å; R320-E324 PolarHBondContact O-N 2.72Å |
| 321 | A | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 100.3 Ų | 100.3 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E317 E318 E324 R325 | E317-A321 WeakPolarHBondContact O-CB 3.39Å; E317-A321 PolarHBondContact O-N 3.45Å; E318-A321 PolarHBondContact O-N 3.24Å; A321-E324 PolarHBondContact O-N 3.08Å; A321-R325 WeakPolarHBondContact O-CG 3.38Å; A321-R325 PolarHBondContact O-N 2.94Å |
| 322 | E | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 105.9 Ų | 105.9 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.7 | -166.6 | 58.7 | -152.1 | 0 | 0 | 112.1 | E318 R320 E324 R325 A326 | E318-E322 WeakPolarHBondContact O-CB 3.34Å; E318-E322 PolarHBondContact O-N 2.94Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 3.03Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E322-E324 PolarHBondContact O-N 3.42Å; E322-R325 PolarHBondContact O-N 3.46Å; E322-R325 IonicContact OE2-CZ 3.1Å; E322-R325 IonicContact OE2-NE 2.8Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 2.64Å; E322-R325 PolarHBondContact OE2-NH2 3.2Å; E322-A326 PolarHBondContact O-N 2.96Å |
| 323 | R | 97.6 | Very high | 98 | Very high | 160 Ų | 160 | 102.6 Ų | 102.6 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -39 | 175.7 | -174.1 | 178.7 | -177.5 | 172.6 | 2.8 | 112.1 | A319 R320 R327 | A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 2.94Å; R320-R323 PolarHBondContact O-N 3.39Å; R323-R327 WeakPolarHBondContact O-CG 3.46Å; R323-R327 PolarHBondContact O-N 3.38Å |
| 324 | E | 98.1 | Very high | 98 | Very high | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -37.5 | 176.1 | -72.5 | -48.1 | 155.3 | 0 | 0 | 113.3 | R320 A321 E322 A326 R327 V328 | R320-E324 PolarHBondContact O-N 2.72Å; A321-E324 PolarHBondContact O-N 3.08Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E322-E324 PolarHBondContact O-N 3.42Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.45Å; E324-R327 PolarHBondContact O-N 3.22Å; E324-R327 IonicContact OE1-CZ 2.78Å; E324-R327 IonicContact OE1-NH1 2.65Å; E324-R327 PolarHBondContact OE1-NH1 2.98Å; E324-R327 WeakPolarHBondContact OE2-CD 3.34Å; E324-R327 IonicContact OE2-NH1 2.79Å; E324-V328 WeakPolarHBondContact O-CG2 3.44Å; E324-V328 PolarHBondContact O-N 3Å |
| 325 | R | 98.4 | Very high | 98 | Very high | 144 Ų | 144 | 102.5 Ų | 102.5 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 170.7 | -73.2 | -169.6 | -77.4 | -146.7 | -4.9 | 111 | A321 E322 R327 V328 E329 | A321-R325 WeakPolarHBondContact O-CG 3.38Å; A321-R325 PolarHBondContact O-N 2.94Å; E322-R325 PolarHBondContact O-N 3.46Å; E322-R325 IonicContact OE2-CZ 3.1Å; E322-R325 IonicContact OE2-NE 2.8Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 2.64Å; E322-R325 PolarHBondContact OE2-NH2 3.2Å; R325-R327 VanDerWaalsContact C-N 3.33Å; R325-R327 PolarHBondContact O-N 3.37Å; R325-V328 PolarHBondContact O-N 3.46Å; R325-E329 WeakPolarHBondContact O-CG 3.48Å; R325-E329 PolarHBondContact O-N 2.93Å |
| 326 | A | 97.9 | Very high | 98 | Very high | 43 Ų | 43 | 104.3 Ų | 104.3 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E322 E324 E329 V330 | E322-A326 PolarHBondContact O-N 2.96Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.45Å; A326-E329 PolarHBondContact O-N 2.98Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.38Å; A326-V330 PolarHBondContact O-N 3.24Å |
| 327 | R | 98.2 | Very high | 98 | Very high | 127 Ų | 127 | 105.7 Ų | 105.7 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.5 | -81.2 | 172.1 | 166.1 | 179.3 | -3.6 | 112.4 | R323 E324 R325 V330 G331 | R323-R327 WeakPolarHBondContact O-CG 3.46Å; R323-R327 PolarHBondContact O-N 3.38Å; E324-R327 PolarHBondContact O-N 3.22Å; E324-R327 IonicContact OE1-CZ 2.78Å; E324-R327 IonicContact OE1-NH1 2.65Å; E324-R327 PolarHBondContact OE1-NH1 2.98Å; E324-R327 WeakPolarHBondContact OE2-CD 3.34Å; E324-R327 IonicContact OE2-NH1 2.79Å; R325-R327 VanDerWaalsContact C-N 3.33Å; R325-R327 PolarHBondContact O-N 3.37Å; R327-V330 PolarHBondContact O-N 3.26Å; R327-G331 PolarHBondContact O-N 2.88Å |
| 328 | V | 98.4 | Very high | 98 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 177.1 | 172 | 0 | 0 | 0 | 0 | 110.8 | E324 R325 G331 R332 | E324-V328 WeakPolarHBondContact O-CG2 3.44Å; E324-V328 PolarHBondContact O-N 3Å; R325-V328 PolarHBondContact O-N 3.46Å; V328-G331 PolarHBondContact O-N 3.42Å; V328-R332 PolarHBondContact O-N 3.27Å |
| 329 | E | 98.2 | Very high | 98.1 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 176.8 | -72 | -179.1 | 175.5 | 0 | 0 | 112.5 | R325 A326 G331 R332 A333 | R325-E329 WeakPolarHBondContact O-CG 3.48Å; R325-E329 PolarHBondContact O-N 2.93Å; A326-E329 PolarHBondContact O-N 2.98Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.95Å; E329-R332 PolarHBondContact O-N 2.99Å; E329-A333 PolarHBondContact O-N 3Å |
| 330 | V | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 62% | 0.624 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -42.5 | 174.1 | 170.6 | 0 | 0 | 0 | 0 | 111 | A326 R327 R332 A333 A334 | A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.38Å; A326-V330 PolarHBondContact O-N 3.24Å; R327-V330 PolarHBondContact O-N 3.26Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 3.48Å; V330-A333 PolarHBondContact O-N 2.94Å; V330-A334 PolarHBondContact O-N 3.44Å |
| 331 | G | 97.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 102.6 Ų | 102.6 | 33% | 0.33 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R327 V328 E329 A334 Q335 | R327-G331 PolarHBondContact O-N 2.88Å; V328-G331 PolarHBondContact O-N 3.42Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.95Å; G331-A334 PolarHBondContact O-N 2.66Å; G331-Q335 WeakPolarHBondContact O-CG 3.44Å; G331-Q335 PolarHBondContact O-N 3.03Å; G331-Q335 VanDerWaalsContact O-N 3.08Å |
| 332 | R | 98.3 | Very high | 98.1 | Very high | 195 Ų | 195 | 106.3 Ų | 106.3 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 175.6 | -173 | -178.4 | 179.1 | -169.8 | 0.2 | 112.1 | V328 E329 V330 Q335 L336 | V328-R332 PolarHBondContact O-N 3.27Å; E329-R332 PolarHBondContact O-N 2.99Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 3.48Å; R332-Q335 PolarHBondContact O-N 3.36Å; R332-L336 PolarHBondContact O-N 3.19Å; R332-L336 VanDerWaalsContact O-N 3.08Å |
| 333 | A | 98 | Very high | 98.1 | Very high | 53 Ų | 53 | 104.9 Ų | 104.9 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E329 V330 L336 L337 | E329-A333 PolarHBondContact O-N 3Å; V330-A333 PolarHBondContact O-N 2.94Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L337 WeakPolarHBondContact O-CG 3.34Å; A333-L337 PolarHBondContact O-N 3.11Å |
| 334 | A | 97.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 102.5 Ų | 102.5 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V330 G331 L336 L337 D338 | V330-A334 PolarHBondContact O-N 3.44Å; G331-A334 PolarHBondContact O-N 2.66Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.41Å; A334-L337 WeakPolarHBondContact O-CB 3.19Å; A334-L337 PolarHBondContact O-N 2.98Å; A334-L337 VanDerWaalsContact O-N 3.11Å; A334-D338 PolarHBondContact O-N 3.05Å |
| 335 | Q | 98 | Very high | 98 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.5 | -40.5 | 175.9 | -71.7 | 171.6 | -1 | 0 | 0 | 112.5 | G331 R332 D338 V339 | G331-Q335 WeakPolarHBondContact O-CG 3.44Å; G331-Q335 PolarHBondContact O-N 3.03Å; G331-Q335 VanDerWaalsContact O-N 3.08Å; R332-Q335 PolarHBondContact O-N 3.36Å; Q335-D338 PolarHBondContact O-N 3.33Å; Q335-V339 WeakPolarHBondContact O-CG2 3.39Å; Q335-V339 PolarHBondContact O-N 3.28Å |
| 336 | L | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 176.6 | -178.8 | 62.2 | 0 | 0 | 0 | 111.5 | R332 A333 A334 D338 V339 R340 | R332-L336 PolarHBondContact O-N 3.19Å; R332-L336 VanDerWaalsContact O-N 3.08Å; A333-L336 PolarHBondContact O-N 3.38Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.41Å; L336-D338 VanDerWaalsContact C-N 3.34Å; L336-V339 PolarHBondContact O-N 3.43Å; L336-R340 WeakPolarHBondContact O-CG 3.45Å; L336-R340 PolarHBondContact O-N 2.94Å |
| 337 | L | 98.2 | Very high | 98 | Very high | 112 Ų | 112 | 102.3 Ų | 102.3 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 176.2 | -73 | 172.2 | 0 | 0 | 0 | 111.7 | A333 A334 V339 R340 L341 | A333-L337 WeakPolarHBondContact O-CG 3.34Å; A333-L337 PolarHBondContact O-N 3.11Å; A334-L337 WeakPolarHBondContact O-CB 3.19Å; A334-L337 PolarHBondContact O-N 2.98Å; A334-L337 VanDerWaalsContact O-N 3.11Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 2.92Å; L337-R340 PolarHBondContact O-N 3.36Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.92Å |
| 338 | D | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 105 Ų | 105 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 176.8 | -70.2 | -26.4 | 0 | 0 | 0 | 111.6 | A334 Q335 L336 L341 F342 | A334-D338 PolarHBondContact O-N 3.05Å; Q335-D338 PolarHBondContact O-N 3.33Å; L336-D338 VanDerWaalsContact C-N 3.34Å; D338-L341 PolarHBondContact O-N 3.08Å; D338-F342 PolarHBondContact O-N 3.36Å |
| 339 | V | 98.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 111 | Q335 L336 L337 L341 F342 E343 | Q335-V339 WeakPolarHBondContact O-CG2 3.39Å; Q335-V339 PolarHBondContact O-N 3.28Å; L336-V339 PolarHBondContact O-N 3.43Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 2.92Å; V339-L341 PolarHBondContact O-N 3.27Å; V339-F342 WeakPolarHBondContact O-CB 3.37Å; V339-F342 PolarHBondContact O-N 2.64Å; V339-E343 WeakPolarHBondContact O-CG 3.42Å; V339-E343 PolarHBondContact O-N 2.95Å |
| 340 | R | 98 | Very high | 97.7 | Very high | 133 Ų | 133 | 99.8 Ų | 99.8 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.6 | -66.4 | -52.9 | -173.4 | -171.7 | -2.3 | 112.8 | L336 L337 F342 E343 L344 | L336-R340 WeakPolarHBondContact O-CG 3.45Å; L336-R340 PolarHBondContact O-N 2.94Å; L337-R340 PolarHBondContact O-N 3.36Å; R340-F342 VanDerWaalsContact C-N 3.31Å; R340-E343 WeakPolarHBondContact CD-OE2 3.48Å; R340-E343 IonicContact CZ-OE2 3.66Å; R340-E343 IonicContact NE-OE2 3.84Å; R340-E343 IonicContact NH1-OE1 3.42Å; R340-E343 PolarHBondContact NH1-OE1 3.31Å; R340-E343 IonicContact NH1-OE2 2.71Å; R340-E343 PolarHBondContact NH1-OE2 3.47Å; R340-E343 PolarHBondContact O-N 2.88Å; R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.97Å |
| 341 | L | 98.1 | Very high | 97.6 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 175.2 | -76.3 | 172.6 | 0 | 0 | 0 | 111.5 | L337 D338 V339 S345 | L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.92Å; D338-L341 PolarHBondContact O-N 3.08Å; V339-L341 PolarHBondContact O-N 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.3Å; L341-S345 PolarHBondContact O-OG 3.43Å |
| 342 | F | 98 | Very high | 97.4 | Very high | 127 Ų | 127 | 101.4 Ų | 101.4 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -52.6 | 173.8 | -177.6 | -96.5 | 0 | 0 | 0 | 111.3 | D338 V339 R340 L344 S345 E346 | D338-F342 PolarHBondContact O-N 3.36Å; V339-F342 WeakPolarHBondContact O-CB 3.37Å; V339-F342 PolarHBondContact O-N 2.64Å; R340-F342 VanDerWaalsContact C-N 3.31Å; F342-L344 VanDerWaalsContact C-N 3.32Å; F342-L344 PolarHBondContact O-N 3.34Å; F342-S345 WeakPolarHBondContact O-CA 3.33Å; F342-S345 WeakPolarHBondContact O-CB 3.34Å; F342-S345 PolarHBondContact O-N 2.97Å; F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.86Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.31Å; F342-E346 HydrophobicContact CZ-CG 4.03Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.41Å; F342-E346 PolarHBondContact O-N 2.99Å |
| 343 | E | 98 | Very high | 97.2 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 34% | 0.341 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 176.9 | -69.8 | 172.1 | 170.9 | 0 | 0 | 112.2 | V339 R340 S345 E346 L347 | V339-E343 WeakPolarHBondContact O-CG 3.42Å; V339-E343 PolarHBondContact O-N 2.95Å; R340-E343 WeakPolarHBondContact CD-OE2 3.48Å; R340-E343 IonicContact CZ-OE2 3.66Å; R340-E343 IonicContact NE-OE2 3.84Å; R340-E343 IonicContact NH1-OE1 3.42Å; R340-E343 PolarHBondContact NH1-OE1 3.31Å; R340-E343 IonicContact NH1-OE2 2.71Å; R340-E343 PolarHBondContact NH1-OE2 3.47Å; R340-E343 PolarHBondContact O-N 2.88Å; E343-S345 VanDerWaalsContact C-N 3.3Å; E343-S345 PolarHBondContact O-N 3.36Å; E343-E346 PolarHBondContact O-N 3.33Å; E343-L347 WeakPolarHBondContact O-CG 3.39Å; E343-L347 PolarHBondContact O-N 3.46Å |
| 344 | L | 98.1 | Very high | 97 | Very high | 110 Ų | 110 | 103.1 Ų | 103.1 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 176.2 | -76.3 | 173.3 | 0 | 0 | 0 | 112.6 | R340 F342 R348 | R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.97Å; F342-L344 VanDerWaalsContact C-N 3.32Å; F342-L344 PolarHBondContact O-N 3.34Å; L344-R348 WeakPolarHBondContact O-CB 3.48Å; L344-R348 PolarHBondContact O-N 2.83Å |
| 345 | S | 96.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 104.6 Ų | 104.6 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | L341 F342 E343 R348 E349 | L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.3Å; L341-S345 PolarHBondContact O-OG 3.43Å; F342-S345 WeakPolarHBondContact O-CA 3.33Å; F342-S345 WeakPolarHBondContact O-CB 3.34Å; F342-S345 PolarHBondContact O-N 2.97Å; E343-S345 VanDerWaalsContact C-N 3.3Å; E343-S345 PolarHBondContact O-N 3.36Å; S345-R348 PolarHBondContact O-N 2.76Å; S345-E349 PolarHBondContact O-N 3.01Å |
| 346 | E | 97.4 | Very high | 96.3 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.1 | -69.5 | -171.1 | 135.1 | 0 | 0 | 111.7 | F342 E343 R348 E349 G350 | F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.86Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.31Å; F342-E346 HydrophobicContact CZ-CG 4.03Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.41Å; F342-E346 PolarHBondContact O-N 2.99Å; E343-E346 PolarHBondContact O-N 3.33Å; E346-R348 VanDerWaalsContact C-N 3.35Å; E346-R348 PolarHBondContact O-N 2.97Å; E346-E349 PolarHBondContact O-N 2.95Å; E346-G350 PolarHBondContact O-N 3.32Å |
| 347 | L | 97.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 175.6 | -72.6 | 173.3 | 0 | 0 | 0 | 111.7 | E343 E349 G350 L351 | E343-L347 WeakPolarHBondContact O-CG 3.39Å; E343-L347 PolarHBondContact O-N 3.46Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 3.2Å; L347-G350 PolarHBondContact O-N 3.12Å; L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.02Å |
| 348 | R | 97 | Very high | 93.9 | Very high | 184 Ų | 184 | 103 Ų | 103 | 69% | 0.694 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 177.5 | -169.9 | -176.7 | 75.4 | -155 | 1.1 | 111.5 | L344 S345 E346 L351 A352 | L344-R348 WeakPolarHBondContact O-CB 3.48Å; L344-R348 PolarHBondContact O-N 2.83Å; S345-R348 PolarHBondContact O-N 2.76Å; E346-R348 VanDerWaalsContact C-N 3.35Å; E346-R348 PolarHBondContact O-N 2.97Å; R348-L351 PolarHBondContact O-N 3.19Å; R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.29Å |
| 349 | E | 96.3 | Very high | 92 | Very high | 101 Ų | 101 | 107.6 Ų | 107.6 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.6 | -42.8 | 177.2 | -167.8 | -177.3 | 160.3 | 0 | 0 | 111.7 | S345 E346 L347 L351 A352 R353 | S345-E349 PolarHBondContact O-N 3.01Å; E346-E349 PolarHBondContact O-N 2.95Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 3.2Å; E349-L351 VanDerWaalsContact C-N 3.35Å; E349-L351 PolarHBondContact O-N 3.41Å; E349-A352 PolarHBondContact O-N 3.13Å; E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE1-CZ 3.3Å; E349-R353 VanDerWaalsContact OE1-CZ 3.3Å; E349-R353 IonicContact OE1-NE 3.36Å; E349-R353 PolarHBondContact OE1-NE 3.42Å; E349-R353 IonicContact OE1-NH2 2.64Å; E349-R353 PolarHBondContact OE1-NH2 2.71Å |
| 350 | G | 95.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 109.1 Ų | 109.1 | 35% | 0.351 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.9 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E346 L347 R353 L354 | E346-G350 PolarHBondContact O-N 3.32Å; L347-G350 PolarHBondContact O-N 3.12Å; G350-R353 PolarHBondContact O-N 3Å; G350-L354 WeakPolarHBondContact O-CG 3.39Å; G350-L354 PolarHBondContact O-N 3.49Å; G350-L354 VanDerWaalsContact O-N 3.13Å |
| 351 | L | 95.3 | Very high | 91.3 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 175.3 | -72.4 | 173.2 | 0 | 0 | 0 | 112.5 | L347 R348 E349 R353 L354 A355 | L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.02Å; R348-L351 PolarHBondContact O-N 3.19Å; E349-L351 VanDerWaalsContact C-N 3.35Å; E349-L351 PolarHBondContact O-N 3.41Å; L351-R353 PolarHBondContact O-N 3.45Å; L351-L354 PolarHBondContact O-N 2.94Å; L351-A355 PolarHBondContact O-N 3.47Å |
| 352 | A | 94.2 | Very high | 91 | Very high | 49 Ų | 49 | 108.2 Ų | 108.2 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R348 E349 L354 A355 E356 | R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.29Å; E349-A352 PolarHBondContact O-N 3.13Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 3.43Å; A352-A355 PolarHBondContact O-N 2.99Å; A352-E356 PolarHBondContact O-N 3.5Å |
| 353 | R | 94.4 | Very high | 90.6 | Very high | 159 Ų | 159 | 107.1 Ų | 107.1 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.2 | -39.4 | 176 | -69.5 | 174.8 | -176.2 | -164.9 | -0.4 | 112.6 | E349 G350 L351 E356 A357 | E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE1-CZ 3.3Å; E349-R353 VanDerWaalsContact OE1-CZ 3.3Å; E349-R353 IonicContact OE1-NE 3.36Å; E349-R353 PolarHBondContact OE1-NE 3.42Å; E349-R353 IonicContact OE1-NH2 2.64Å; E349-R353 PolarHBondContact OE1-NH2 2.71Å; G350-R353 PolarHBondContact O-N 3Å; L351-R353 PolarHBondContact O-N 3.45Å; R353-E356 PolarHBondContact O-N 3.48Å; R353-A357 WeakPolarHBondContact O-CB 3.36Å; R353-A357 PolarHBondContact O-N 3.49Å; R353-A357 VanDerWaalsContact O-N 3.12Å |
| 354 | L | 94.5 | Very high | 90.1 | Very high | 126 Ų | 126 | 109.2 Ų | 109.2 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.1 | -37.4 | 175.9 | -72.9 | 172.1 | 0 | 0 | 0 | 112.2 | G350 L351 A352 A357 A358 | G350-L354 WeakPolarHBondContact O-CG 3.39Å; G350-L354 PolarHBondContact O-N 3.49Å; G350-L354 VanDerWaalsContact O-N 3.13Å; L351-L354 PolarHBondContact O-N 2.94Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 3.43Å; L354-A357 PolarHBondContact O-N 3.42Å; L354-A358 PolarHBondContact O-N 3Å |
| 355 | A | 91.1 | Very high | 89.6 | Confident | 75 Ų | 75 | 109.1 Ų | 109.1 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L351 A352 A357 A358 | L351-A355 PolarHBondContact O-N 3.47Å; A352-A355 PolarHBondContact O-N 2.99Å; A355-A357 VanDerWaalsContact C-N 3.31Å; A355-A358 PolarHBondContact O-N 2.95Å |
| 356 | E | 89.2 | Confident | 89 | Confident | 167 Ų | 167 | 113.1 Ų | 113.1 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70 | -25.8 | 174.1 | -71.2 | 178.6 | 179.9 | 0 | 0 | 113.2 | A352 R353 A358 | A352-E356 PolarHBondContact O-N 3.5Å; R353-E356 PolarHBondContact O-N 3.48Å; E356-A358 VanDerWaalsContact C-N 3.34Å |
| 357 | A | 80.6 | Confident | 88.4 | Confident | 77 Ų | 77 | 113.5 Ų | 113.5 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -2.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R353 L354 A355 | R353-A357 WeakPolarHBondContact O-CB 3.36Å; R353-A357 PolarHBondContact O-N 3.49Å; R353-A357 VanDerWaalsContact O-N 3.12Å; L354-A357 PolarHBondContact O-N 3.42Å; A355-A357 VanDerWaalsContact C-N 3.31Å |
| 358 | A | 66.2 | Low | 87.7 | Confident | 69 Ų | 69 | 113.3 Ų | 113.3 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | trans | -76.4 | 123.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L354 A355 E356 | L354-A358 PolarHBondContact O-N 3Å; A355-A358 PolarHBondContact O-N 2.95Å; E356-A358 VanDerWaalsContact C-N 3.34Å | ||
| 359 | P | 57.2 | Low | 86.8 | Confident | 200 Ų | 200 | 106.9 Ų | 106.9 | 100% | 1.299 | 64% | 0.638 | S | S | * | * | trans | -72.7 | 0 | -173.2 | 29.4 | -35.7 | 0 | 0 | 0 | 115 |
Retrieved 359 of 359 residues in 140.4 ms
(Link to these results)