| 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 | 36.2 | Very low | 50.5 | Low | 235 Ų | 235 | 140.7 Ų | 140.7 | 100% | 1.158 | 79% | 0.793 | S | S | * | * | 0 | 119.9 | 0 | -73.5 | 74.8 | 176.8 | 0 | 0 | 108.1 | |||||
| 2 | A | 44.2 | Very low | 52.3 | Low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 119.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F4 | A2-F4 PolarHBondContact O-N 2.93Š| ||
| 3 | V | 43 | Very low | 54.4 | Low | 131 Ų | 131 | 146.9 Ų | 146.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -83.4 | 100.4 | 167 | 178.2 | 0 | 0 | 0 | 0 | 106.4 | I5 | V3-I5 PolarHBondContact O-N 3.38Š| ||
| 4 | F | 44.3 | Very low | 56.5 | Low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.7 | 161.1 | -111.6 | -100.5 | 0 | 0 | 0 | 107.5 | A2 P6 | A2-F4 PolarHBondContact O-N 2.93Å; F4-P6 WeakPolarHBondContact O-CD 3.08Å |
| 5 | I | 50.5 | Low | 58.5 | Low | 144 Ų | 144 | 138.7 Ų | 138.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 116.2 | 166.9 | -58.6 | 173.8 | 0 | 0 | 0 | 106.2 | V3 N7 | V3-I5 PolarHBondContact O-N 3.38Å; I5-N7 PolarHBondContact O-N 2.95Å |
| 6 | P | 46.8 | Very low | 60.3 | Low | 99 Ų | 99 | 133.1 Ų | 133.1 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.5 | 168.6 | -9.9 | 25.2 | 0 | 0 | 0 | 107.7 | F4 D8 | F4-P6 WeakPolarHBondContact O-CD 3.08Å; P6-D8 PolarHBondContact O-N 2.68Å |
| 7 | N | 52.4 | Low | 62 | Low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | trans | -75.4 | 77.6 | 172.3 | -168.8 | 14 | 0 | 0 | 0 | 108.8 | I5 G9 | I5-N7 PolarHBondContact O-N 2.95Å; N7-G9 PolarHBondContact O-N 3.48Å | ||
| 8 | D | 54.9 | Low | 63.5 | Low | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | -83.6 | 12.9 | 179.6 | -118.5 | 12.7 | 0 | 0 | 0 | 112.8 | P6 T10 | P6-D8 PolarHBondContact O-N 2.68Å; D8-T10 WeakPolarHBondContact O-CB 3.46Å; D8-T10 WeakPolarHBondContact O-CG2 3.28Å; D8-T10 PolarHBondContact O-N 3.4Å; D8-T10 PolarHBondContact O-OG1 2.68Å | ||
| 9 | G | 56.3 | Low | 64.8 | Low | 62 Ų | 62 | 124.8 Ų | 124.8 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 58.5 | -1.7 | 165 | 0 | 0 | 0 | 0 | 0 | 117.9 | N7 | N7-G9 PolarHBondContact O-N 3.48Š|
| 10 | T | 62.7 | Low | 65.8 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -113.4 | -12.8 | -165.3 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | D8 | D8-T10 WeakPolarHBondContact O-CB 3.46Å; D8-T10 WeakPolarHBondContact O-CG2 3.28Å; D8-T10 PolarHBondContact O-N 3.4Å; D8-T10 PolarHBondContact O-OG1 2.68Å |
| 11 | H | 64 | Low | 66.6 | Low | 185 Ų | 185 | 124.2 Ų | 124.2 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | trans | -135.2 | 98.8 | 175.1 | -88 | -77.5 | 0 | 0 | 0 | 111.7 | ||||
| 12 | C | 72.8 | Confident | 68.7 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 87% | 0.865 | 65% | 0.648 | S | S | * | * | trans | -98.5 | 125.8 | 170.1 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | R | 79.2 | Confident | 70.7 | Confident | 234 Ų | 234 | 113.3 Ų | 113.3 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | trans | -106.5 | 125.6 | 170.9 | -178.5 | 178.7 | 179 | 174.8 | 1.6 | 108.8 | ||||
| 14 | D | 83.9 | Confident | 72.8 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 31% | 0.305 | 58% | 0.584 | S | S | . | * | trans | -59.1 | 135.5 | 175.7 | -173.8 | 55.1 | 0 | 0 | 0 | 111.9 | N32 G35 | D14-N32 PolarHBondContact OD2-ND2 3.46Å; D14-G35 WeakPolarHBondContact OD1-CA 3.47Å; D14-G35 PolarHBondContact OD1-N 3.5Å | ||
| 15 | I | 86.4 | Confident | 74.8 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 59% | 0.585 | 57% | 0.567 | S | S | * | * | trans | -100.1 | 116.9 | 174.2 | -62.9 | 176.2 | 0 | 0 | 0 | 106.4 | E17 | I15-E17 HydrophobicContact CG2-CG 4.39Å; I15-E17 PolarHBondContact O-N 3.37Å | ||
| 16 | D | 87.3 | Confident | 76.6 | Confident | 48 Ų | 48 | 101.6 Ų | 101.6 | 26% | 0.257 | 57% | 0.568 | S | S | . | * | trans | -74.4 | 90 | 176.2 | -178 | -5 | 0 | 0 | 0 | 110.3 | C18 K19 N32 | D16-C18 PolarHBondContact O-N 2.92Å; D16-C18 WeakPolarHBondContact OD1-CB 3.17Å; D16-C18 PolarHBondContact OD1-N 2.87Å; D16-K19 HydrophobicContact CB-CD 4.11Å; D16-K19 HydrophobicContact CB-CG 4.39Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 WeakPolarHBondContact OD2-CD 3.39Å; D16-K19 WeakPolarHBondContact OD2-CE 3.45Å; D16-K19 IonicContact OD2-NZ 2.77Å; D16-K19 PolarHBondContact OD2-NZ 2.78Å; D16-N32 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 17 | E | 89 | Confident | 78.5 | Confident | 37 Ų | 37 | 97.4 Ų | 97.4 | 17% | 0.173 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -67.8 | -17 | -176.9 | -58.1 | 95.1 | 166 | 0 | 0 | 112.4 | I15 K19 I20 Q23 N32 F37 | I15-E17 HydrophobicContact CG2-CG 4.39Å; I15-E17 PolarHBondContact O-N 3.37Å; E17-K19 PolarHBondContact O-N 2.95Å; E17-I20 WeakPolarHBondContact O-CB 3.49Å; E17-I20 PolarHBondContact O-N 3.49Å; E17-I20 VanDerWaalsContact O-N 3.08Å; E17-Q23 HydrophobicContact CB-CG 4.42Å; E17-N32 PolarHBondContact OE2-OD1 2.87Å; E17-F37 HydrophobicContact CB-CB 4.28Å; E17-F37 HydrophobicContact CB-CD1 3.61Å; E17-F37 HydrophobicContact CB-CE1 4.17Å; E17-F37 HydrophobicContact CB-CG 3.97Å; E17-F37 HydrophobicContact CG-CD1 3.74Å; E17-F37 HydrophobicContact CG-CE1 4.22Å; E17-F37 WeakPolarHBondContact OE2-CB 3.34Å; E17-F37 WeakPolarHBondContact OE2-CD1 3.39Å |
| 18 | C | 88.8 | Confident | 80.3 | Confident | 41 Ų | 41 | 90.7 Ų | 90.7 | 28% | 0.277 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -72.4 | -13.1 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | D16 C30 R31 N32 | D16-C18 PolarHBondContact O-N 2.92Å; D16-C18 WeakPolarHBondContact OD1-CB 3.17Å; D16-C18 PolarHBondContact OD1-N 2.87Å; C18-C30 WeakPolarHBondContact CA-SG 3.33Å; C18-C30 HydrophobicContact CB-CB 3.65Å; C18-C30 WeakPolarHBondContact CB-SG 3.46Å; C18-C30 WeakPolarHBondContact SG-CB 3.29Å; C18-C30 CovalentContact SG-SG 2.04Å; C18-C30 PolarHBondContact SG-SG 3.25Å; C18-R31 PolarHBondContact SG-N 3.42Å; C18-R31 VanDerWaalsContact SG-N 3.44Å; C18-N32 PolarHBondContact SG-N 3.5Å |
| 19 | K | 88.9 | Confident | 82.1 | Confident | 165 Ų | 165 | 89.7 Ų | 89.7 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -76.3 | -11.5 | 169.1 | -72 | 175.1 | 178.7 | 140.9 | 0 | 113 | D16 E17 | D16-K19 HydrophobicContact CB-CD 4.11Å; D16-K19 HydrophobicContact CB-CG 4.39Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 WeakPolarHBondContact OD2-CD 3.39Å; D16-K19 WeakPolarHBondContact OD2-CE 3.45Å; D16-K19 IonicContact OD2-NZ 2.77Å; D16-K19 PolarHBondContact OD2-NZ 2.78Å; E17-K19 PolarHBondContact O-N 2.95Å |
| 20 | I | 85 | Confident | 83.8 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -88.6 | 125.3 | 176.5 | -53.8 | 173.8 | 0 | 0 | 0 | 108.8 | E17 | E17-I20 WeakPolarHBondContact O-CB 3.49Å; E17-I20 PolarHBondContact O-N 3.49Å; E17-I20 VanDerWaalsContact O-N 3.08Å |
| 21 | T | 82 | Confident | 85.2 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 88% | 0.877 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 135.6 | -177.4 | -31.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 22 | G | 80.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C24 G25 | G22-C24 PolarHBondContact O-N 3.49Å; G22-G25 PolarHBondContact O-N 2.99Å; G22-G25 VanDerWaalsContact O-N 3.16Å |
| 23 | Q | 85.9 | Confident | 87.2 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 20% | 0.201 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.6 | -176.8 | -167.7 | 66.6 | 7.4 | 0 | 0 | 114 | E17 F37 P56 | E17-Q23 HydrophobicContact CB-CG 4.42Å; Q23-F37 HydrophobicContact CG-CD2 4.1Å; Q23-F37 HydrophobicContact CG-CE1 4.27Å; Q23-F37 HydrophobicContact CG-CE2 3.53Å; Q23-F37 HydrophobicContact CG-CZ 3.64Å; Q23-P56 WeakPolarHBondContact O-CG 2.76Å |
| 24 | C | 86.6 | Confident | 87.6 | Confident | 9 Ų | 9 | 78 Ų | 78 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 4.4 | 179.1 | -65.7 | 0 | 0 | 0 | 0 | 114.9 | G22 C30 C39 | G22-C24 PolarHBondContact O-N 3.49Å; C24-C30 VanDerWaalsContact SG-CA 3.58Å; C24-C30 VanDerWaalsContact SG-CB 3.51Å; C24-C39 WeakPolarHBondContact CA-SG 3.46Å; C24-C39 HydrophobicContact CB-CB 3.68Å; C24-C39 WeakPolarHBondContact CB-SG 3.42Å; C24-C39 WeakPolarHBondContact SG-CB 3.48Å; C24-C39 CovalentContact SG-SG 2.03Å; C24-C39 PolarHBondContact SG-SG 2.94Å |
| 25 | G | 86.6 | Confident | 87.6 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | 71.1 | -176.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G22 G28 | G22-G25 PolarHBondContact O-N 2.99Å; G22-G25 VanDerWaalsContact O-N 3.16Å; G25-G28 PolarHBondContact O-N 3.43Å | ||
| 26 | E | 88.4 | Confident | 87.6 | Confident | 163 Ų | 163 | 74.2 Ų | 74.2 | 76% | 0.762 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 131.9 | -178.6 | -144.2 | 180 | -165.6 | 0 | 0 | 111.2 | G28 C63 | E26-G28 PolarHBondContact O-N 3.01Å; E26-C63 WeakPolarHBondContact O-CB 3.37Å |
| 27 | G | 86.8 | Confident | 87.7 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 5.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C41 Q42 | G27-C41 WeakPolarHBondContact O-CA 3.5Å; G27-Q42 WeakPolarHBondContact O-CG 3.32Å; G27-Q42 PolarHBondContact O-N 2.98Å |
| 28 | G | 90.6 | Very high | 87.9 | Confident | 15 Ų | 15 | 72 Ų | 72 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 146.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G25 E26 S40 Q42 | G25-G28 PolarHBondContact O-N 3.43Å; E26-G28 PolarHBondContact O-N 3.01Å; G28-S40 CarbonylContact C-O 3.5Å; G28-Q42 PolarHBondContact O-NE2 3.22Å |
| 29 | Q | 92.1 | Very high | 88 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.1 | 172.9 | -175.8 | 172.5 | 21.9 | 0 | 0 | 109 | C39 S40 Q42 | Q29-C39 WeakPolarHBondContact O-CA 3.29Å; Q29-S40 PolarHBondContact N-O 3.48Å; Q29-S40 PolarHBondContact O-N 3.31Å; Q29-Q42 HydrophobicContact CB-CG 4.23Å |
| 30 | C | 91.6 | Very high | 88.1 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.3 | -176.7 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | C18 C24 | C18-C30 WeakPolarHBondContact CA-SG 3.33Å; C18-C30 HydrophobicContact CB-CB 3.65Å; C18-C30 WeakPolarHBondContact CB-SG 3.46Å; C18-C30 WeakPolarHBondContact SG-CB 3.29Å; C18-C30 CovalentContact SG-SG 2.04Å; C18-C30 PolarHBondContact SG-SG 3.25Å; C24-C30 VanDerWaalsContact SG-CA 3.58Å; C24-C30 VanDerWaalsContact SG-CB 3.51Å |
| 31 | R | 92.1 | Very high | 88.5 | Confident | 142 Ų | 142 | 60.5 Ų | 60.5 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.5 | 170.3 | -175.4 | 177.1 | 68.9 | 175.7 | 1.6 | 109.8 | C18 F37 D38 | C18-R31 PolarHBondContact SG-N 3.42Å; C18-R31 VanDerWaalsContact SG-N 3.44Å; R31-F37 WeakPolarHBondContact O-CA 3.26Å; R31-D38 PolarHBondContact N-O 3.27Å; R31-D38 IonicContact NH2-OD2 2.89Å; R31-D38 PolarHBondContact O-N 3.41Å |
| 32 | N | 91.5 | Very high | 89 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.2 | 176.6 | -166 | 54.7 | 0 | 0 | 0 | 110.4 | D14 D16 E17 C18 | D14-N32 PolarHBondContact OD2-ND2 3.46Å; D16-N32 WeakPolarHBondContact CA-OD1 3.47Å; E17-N32 PolarHBondContact OE2-OD1 2.87Å; C18-N32 PolarHBondContact SG-N 3.5Å |
| 33 | L | 88.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.3 | 175.6 | -56.8 | 172.9 | 0 | 0 | 0 | 108.2 | G35 S36 D38 | L33-G35 PolarHBondContact O-N 2.92Å; L33-S36 CarbonylContact C-O 3.51Å; L33-S36 VanDerWaalsContact C-O 3.24Å; L33-S36 WeakPolarHBondContact CA-O 3.32Å; L33-S36 VanDerWaalsContact CB-O 3.22Å; L33-S36 WeakPolarHBondContact CB-O 3.38Å; L33-S36 PolarHBondContact N-O 2.82Å; L33-S36 PolarHBondContact O-N 3.41Å; L33-D38 HydrophobicContact CD1-CB 4.29Å; L33-D38 WeakPolarHBondContact CD1-OD2 3.41Å |
| 34 | E | 87 | Confident | 89.6 | Confident | 190 Ų | 190 | 59.8 Ų | 59.8 | 89% | 0.888 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 114.8 | 176.3 | -167.6 | 171.1 | -172.1 | 0 | 0 | 110.4 | ||
| 35 | G | 83.6 | Confident | 89.9 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D14 L33 | D14-G35 WeakPolarHBondContact OD1-CA 3.47Å; D14-G35 PolarHBondContact OD1-N 3.5Å; L33-G35 PolarHBondContact O-N 2.92Å |
| 36 | S | 87.4 | Confident | 90 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 175 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | L33 R55 | L33-S36 CarbonylContact C-O 3.51Å; L33-S36 VanDerWaalsContact C-O 3.24Å; L33-S36 WeakPolarHBondContact CA-O 3.32Å; L33-S36 VanDerWaalsContact CB-O 3.22Å; L33-S36 WeakPolarHBondContact CB-O 3.38Å; L33-S36 PolarHBondContact N-O 2.82Å; L33-S36 PolarHBondContact O-N 3.41Å; S36-R55 PolarHBondContact OG-NH2 3.45Å |
| 37 | F | 89.4 | Confident | 90.1 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.5 | 168.6 | 69.8 | -76.3 | 0 | 0 | 0 | 111 | E17 Q23 R31 R55 | E17-F37 HydrophobicContact CB-CB 4.28Å; E17-F37 HydrophobicContact CB-CD1 3.61Å; E17-F37 HydrophobicContact CB-CE1 4.17Å; E17-F37 HydrophobicContact CB-CG 3.97Å; E17-F37 HydrophobicContact CG-CD1 3.74Å; E17-F37 HydrophobicContact CG-CE1 4.22Å; E17-F37 WeakPolarHBondContact OE2-CB 3.34Å; E17-F37 WeakPolarHBondContact OE2-CD1 3.39Å; Q23-F37 HydrophobicContact CG-CD2 4.1Å; Q23-F37 HydrophobicContact CG-CE1 4.27Å; Q23-F37 HydrophobicContact CG-CE2 3.53Å; Q23-F37 HydrophobicContact CG-CZ 3.64Å; R31-F37 WeakPolarHBondContact O-CA 3.26Å; F37-R55 WeakPolarHBondContact O-CG 3.24Å; F37-R55 PolarHBondContact O-NE 3.23Å |
| 38 | D | 91.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.7 | 173.2 | -77.6 | -9.7 | 0 | 0 | 0 | 110.2 | R31 L33 P53 R55 | R31-D38 PolarHBondContact N-O 3.27Å; R31-D38 IonicContact NH2-OD2 2.89Å; R31-D38 PolarHBondContact O-N 3.41Å; L33-D38 HydrophobicContact CD1-CB 4.29Å; L33-D38 WeakPolarHBondContact CD1-OD2 3.41Å; D38-P53 HydrophobicContact CB-CB 3.97Å; D38-R55 IonicContact OD1-CZ 3.69Å; D38-R55 IonicContact OD1-NE 3.53Å; D38-R55 PolarHBondContact OD1-NE 3.12Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.19Å |
| 39 | C | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.9 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | C24 Q29 P53 F54 | C24-C39 WeakPolarHBondContact CA-SG 3.46Å; C24-C39 HydrophobicContact CB-CB 3.68Å; C24-C39 WeakPolarHBondContact CB-SG 3.42Å; C24-C39 WeakPolarHBondContact SG-CB 3.48Å; C24-C39 CovalentContact SG-SG 2.03Å; C24-C39 PolarHBondContact SG-SG 2.94Å; Q29-C39 WeakPolarHBondContact O-CA 3.29Å; C39-P53 WeakPolarHBondContact O-CA 3.39Å; C39-F54 HydrophobicContact CB-CD1 4.33Å; C39-F54 HydrophobicContact CB-CD2 4.08Å; C39-F54 HydrophobicContact CB-CE1 4Å; C39-F54 HydrophobicContact CB-CE2 3.73Å; C39-F54 HydrophobicContact CB-CG 4.36Å; C39-F54 HydrophobicContact CB-CZ 3.67Å; C39-F54 WeakPolarHBondContact CB-O 3.26Å; C39-F54 PolarHBondContact N-O 3.48Å; C39-F54 VanDerWaalsContact O-CD1 3.3Å; C39-F54 WeakPolarHBondContact O-CD1 3.46Å; C39-F54 PolarHBondContact O-N 2.89Å |
| 40 | S | 92.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.5 | 168.4 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | G28 Q29 | G28-S40 CarbonylContact C-O 3.5Å; Q29-S40 PolarHBondContact N-O 3.48Å; Q29-S40 PolarHBondContact O-N 3.31Å |
| 41 | C | 92.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143.5 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | G27 E52 C63 | G27-C41 WeakPolarHBondContact O-CA 3.5Å; C41-E52 WeakPolarHBondContact CA-OE1 3.31Å; C41-E52 WeakPolarHBondContact CB-OE1 3.44Å; C41-E52 PolarHBondContact N-OE1 3.47Å; C41-E52 PolarHBondContact SG-OE1 3.04Å; C41-C63 WeakPolarHBondContact CA-SG 3.48Å; C41-C63 HydrophobicContact CB-CB 4Å; C41-C63 WeakPolarHBondContact CB-SG 3.46Å; C41-C63 WeakPolarHBondContact SG-CA 3.33Å; C41-C63 WeakPolarHBondContact SG-CB 3.39Å; C41-C63 CovalentContact SG-SG 2.04Å; C41-C63 PolarHBondContact SG-SG 3.24Å |
| 42 | Q | 91.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 161.7 | 171.7 | -63.3 | 178.5 | 14.8 | 0 | 0 | 110.3 | G27 G28 Q29 G44 Y45 | G27-Q42 WeakPolarHBondContact O-CG 3.32Å; G27-Q42 PolarHBondContact O-N 2.98Å; G28-Q42 PolarHBondContact O-NE2 3.22Å; Q29-Q42 HydrophobicContact CB-CG 4.23Å; Q42-G44 PolarHBondContact O-N 3.46Å; Q42-Y45 WeakPolarHBondContact O-CB 3.23Å; Q42-Y45 PolarHBondContact O-N 3.33Å |
| 43 | I | 90.8 | Very high | 88.7 | Confident | 133 Ų | 133 | 64.3 Ų | 64.3 | 68% | 0.682 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.4 | 176.4 | -58.4 | 174.2 | 0 | 0 | 0 | 109.4 | Y87 A112 | I43-Y87 HydrophobicContact CG2-CE2 4.34Å; I43-Y87 WeakPolarHBondContact CG2-OH 3.31Å; I43-A112 HydrophobicContact CG2-CB 3.79Å |
| 44 | G | 89.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 1.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q42 V65 V66 | Q42-G44 PolarHBondContact O-N 3.46Å; G44-V65 WeakPolarHBondContact O-CA 3.32Å; G44-V66 WeakPolarHBondContact O-CB 3.42Å; G44-V66 WeakPolarHBondContact O-CG2 3.41Å; G44-V66 PolarHBondContact O-N 2.7Å |
| 45 | Y | 91.6 | Very high | 88.7 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.6 | 171.6 | -68.7 | -104.4 | 0 | 0 | 0 | 110.3 | Q42 C63 K64 V65 | Q42-Y45 WeakPolarHBondContact O-CB 3.23Å; Q42-Y45 PolarHBondContact O-N 3.33Å; Y45-C63 HydrophobicContact CD1-CB 4.19Å; Y45-K64 CarbonylContact C-O 3.52Å; Y45-K64 VanDerWaalsContact CA-O 3.25Å; Y45-K64 WeakPolarHBondContact CA-O 3.3Å; Y45-V65 HydrophobicContact CD1-CB 4.21Å; Y45-V65 HydrophobicContact CE1-CB 3.94Å |
| 46 | K | 90.1 | Very high | 88.6 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.6 | 175.2 | -77.8 | 177.7 | -175.8 | -179 | 0 | 110.6 | H48 K64 V66 A112 D113 | K46-H48 PolarHBondContact O-N 2.83Å; K46-K64 PolarHBondContact N-O 3.15Å; K46-K64 PolarHBondContact O-N 2.96Å; K46-V66 HydrophobicContact CB-CG2 4.33Å; K46-V66 HydrophobicContact CD-CG2 3.86Å; K46-V66 HydrophobicContact CG-CG2 3.65Å; K46-A112 WeakPolarHBondContact CE-O 3.49Å; K46-D113 PolarHBondContact NZ-O 3.48Å |
| 47 | V | 90.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.9 | 174.3 | -171 | 0 | 0 | 0 | 0 | 109.9 | E52 F54 A61 | V47-E52 HydrophobicContact CG2-CB 3.69Å; V47-E52 VanDerWaalsContact CG2-CD 3.46Å; V47-E52 HydrophobicContact CG2-CG 3.39Å; V47-E52 WeakPolarHBondContact CG2-OE1 3.48Å; V47-F54 HydrophobicContact CG1-CD1 3.95Å; V47-F54 HydrophobicContact CG1-CE1 4.39Å; V47-F54 HydrophobicContact CG1-CG 4.34Å; V47-F54 HydrophobicContact CG2-CD1 3.76Å; V47-F54 HydrophobicContact CG2-CE1 3.88Å; V47-A61 HydrophobicContact CG1-CB 4.21Å |
| 48 | H | 87.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138 | 170.4 | -173.2 | 71.3 | 0 | 0 | 0 | 109.5 | K46 G50 A61 A62 K64 | K46-H48 PolarHBondContact O-N 2.83Å; H48-G50 VanDerWaalsContact C-N 3.32Å; H48-G50 PolarHBondContact O-N 3.39Å; H48-A61 VanDerWaalsContact O-CA 3.32Å; H48-A61 WeakPolarHBondContact O-CA 3.35Å; H48-A62 PolarHBondContact N-O 2.89Å; H48-A62 PolarHBondContact O-N 2.85Å; H48-A62 VanDerWaalsContact O-N 3.16Å; H48-K64 HydrophobicContact CB-CB 4.42Å; H48-K64 HydrophobicContact CB-CD 3.78Å; H48-K64 HydrophobicContact CB-CG 3.93Å; H48-K64 WeakPolarHBondContact CD2-CE 3.1Å; H48-K64 PolarHBondContact CD2-NZ 3.19Å; H48-K64 PolarHBondContact NE2-NZ 3.06Å |
| 49 | N | 86.1 | Confident | 86.1 | Confident | 114 Ų | 114 | 73 Ų | 73 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 58.1 | 36.2 | -178.9 | -59.7 | -21.7 | 0 | 0 | 0 | 114.7 | ||
| 50 | G | 84.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -177.6 | -169.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H48 | H48-G50 VanDerWaalsContact C-N 3.32Å; H48-G50 PolarHBondContact O-N 3.39Å |
| 51 | A | 84.8 | Confident | 85.3 | Confident | 75 Ų | 75 | 74 Ų | 74 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | trans | -127.2 | 147.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P53 F54 | A51-P53 CarbonylContact O-C 3.57Å; A51-P53 VanDerWaalsContact O-C 3.27Å; A51-P53 VanDerWaalsContact O-O 3.13Å; A51-F54 WeakPolarHBondContact O-CB 3.22Å | ||
| 52 | E | 84 | Confident | 85.1 | Confident | 96 Ų | 96 | 75.3 Ų | 75.3 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -81.7 | 137.2 | 177.7 | -125.3 | 162.6 | -130.7 | 0 | 0 | 110.6 | C41 V47 F54 | C41-E52 WeakPolarHBondContact CA-OE1 3.31Å; C41-E52 WeakPolarHBondContact CB-OE1 3.44Å; C41-E52 PolarHBondContact N-OE1 3.47Å; C41-E52 PolarHBondContact SG-OE1 3.04Å; V47-E52 HydrophobicContact CG2-CB 3.69Å; V47-E52 VanDerWaalsContact CG2-CD 3.46Å; V47-E52 HydrophobicContact CG2-CG 3.39Å; V47-E52 WeakPolarHBondContact CG2-OE1 3.48Å; E52-F54 HydrophobicContact CG-CD1 4.22Å; E52-F54 HydrophobicContact CG-CE1 4.48Å |
| 53 | P | 88.7 | Confident | 85.1 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | S | Bend | cis | -75.4 | 146.5 | -6.6 | 25.7 | -25.2 | 0 | 0 | 0 | 113 | D38 C39 A51 | D38-P53 HydrophobicContact CB-CB 3.97Å; C39-P53 WeakPolarHBondContact O-CA 3.39Å; A51-P53 CarbonylContact O-C 3.57Å; A51-P53 VanDerWaalsContact O-C 3.27Å; A51-P53 VanDerWaalsContact O-O 3.13Å |
| 54 | F | 88.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 4% | 0.044 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 162.6 | -174.9 | 65.1 | -84.9 | 0 | 0 | 0 | 113.6 | C39 V47 A51 E52 P56 A61 C63 | C39-F54 HydrophobicContact CB-CD1 4.33Å; C39-F54 HydrophobicContact CB-CD2 4.08Å; C39-F54 HydrophobicContact CB-CE1 4Å; C39-F54 HydrophobicContact CB-CE2 3.73Å; C39-F54 HydrophobicContact CB-CG 4.36Å; C39-F54 HydrophobicContact CB-CZ 3.67Å; C39-F54 WeakPolarHBondContact CB-O 3.26Å; C39-F54 PolarHBondContact N-O 3.48Å; C39-F54 VanDerWaalsContact O-CD1 3.3Å; C39-F54 WeakPolarHBondContact O-CD1 3.46Å; C39-F54 PolarHBondContact O-N 2.89Å; V47-F54 HydrophobicContact CG1-CD1 3.95Å; V47-F54 HydrophobicContact CG1-CE1 4.39Å; V47-F54 HydrophobicContact CG1-CG 4.34Å; V47-F54 HydrophobicContact CG2-CD1 3.76Å; V47-F54 HydrophobicContact CG2-CE1 3.88Å; A51-F54 WeakPolarHBondContact O-CB 3.22Å; E52-F54 HydrophobicContact CG-CD1 4.22Å; E52-F54 HydrophobicContact CG-CE1 4.48Å; F54-P56 HydrophobicContact CD2-CG 4.18Å; F54-P56 HydrophobicContact CE2-CG 3.97Å; F54-A61 HydrophobicContact CB-CB 3.8Å; F54-A61 HydrophobicContact CD2-CB 3.71Å; F54-A61 WeakPolarHBondContact CD2-O 3.16Å; F54-A61 VanDerWaalsContact CE2-O 3.29Å; F54-A61 WeakPolarHBondContact CE2-O 3.47Å; F54-A61 HydrophobicContact CG-CB 3.89Å; F54-C63 VanDerWaalsContact CZ-SG 3.52Å |
| 55 | R | 87.1 | Confident | 85.3 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 32% | 0.317 | 41% | 0.408 | S | S | . | . | trans | -121.5 | 110.3 | 174.4 | -63.6 | -177.4 | -176.2 | -179.9 | -6.4 | 109.4 | S36 F37 D38 Q57 R58 | S36-R55 PolarHBondContact OG-NH2 3.45Å; F37-R55 WeakPolarHBondContact O-CG 3.24Å; F37-R55 PolarHBondContact O-NE 3.23Å; D38-R55 IonicContact OD1-CZ 3.69Å; D38-R55 IonicContact OD1-NE 3.53Å; D38-R55 PolarHBondContact OD1-NE 3.12Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.19Å; R55-Q57 PolarHBondContact O-N 3.12Å; R55-Q57 VanDerWaalsContact O-N 3.14Å; R55-R58 HydrophobicContact CB-CB 4.21Å; R55-R58 PolarHBondContact O-N 3.21Å | ||
| 56 | P | 81.4 | Confident | 85.4 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 23% | 0.234 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -55.2 | -37.7 | -174.2 | -27.3 | 34.1 | 0 | 0 | 0 | 113.3 | Q23 F54 R58 G60 | Q23-P56 WeakPolarHBondContact O-CG 2.76Å; F54-P56 HydrophobicContact CD2-CG 4.18Å; F54-P56 HydrophobicContact CE2-CG 3.97Å; P56-R58 PolarHBondContact O-N 3.25Å; P56-G60 PolarHBondContact O-N 3.27Å |
| 57 | Q | 75.6 | Confident | 85.5 | Confident | 161 Ų | 161 | 69.7 Ų | 69.7 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -69.5 | -14.5 | -179.9 | -59.8 | -159 | 6.3 | 0 | 0 | 114.3 | R55 | R55-Q57 PolarHBondContact O-N 3.12Å; R55-Q57 VanDerWaalsContact O-N 3.14Å |
| 58 | R | 70.6 | Confident | 85.7 | Confident | 209 Ų | 209 | 69 Ų | 69 | 79% | 0.789 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -122.3 | 29.9 | -169.5 | -149.9 | -176.2 | -72.8 | -126.7 | 1.8 | 113.7 | R55 P56 | R55-R58 HydrophobicContact CB-CB 4.21Å; R55-R58 PolarHBondContact O-N 3.21Å; P56-R58 PolarHBondContact O-N 3.25Å |
| 59 | G | 68.3 | Low | 85.8 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 165.9 | 4.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A61 | G59-A61 PolarHBondContact O-N 3.21Å; G59-A61 VanDerWaalsContact O-N 3.09Å |
| 60 | G | 80.1 | Confident | 86.1 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | trans | 65.3 | 12.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | P56 | P56-G60 PolarHBondContact O-N 3.27Š| ||
| 61 | A | 88.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | trans | -69.4 | 133.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V47 H48 F54 G59 | V47-A61 HydrophobicContact CG1-CB 4.21Å; H48-A61 VanDerWaalsContact O-CA 3.32Å; H48-A61 WeakPolarHBondContact O-CA 3.35Å; F54-A61 HydrophobicContact CB-CB 3.8Å; F54-A61 HydrophobicContact CD2-CB 3.71Å; F54-A61 WeakPolarHBondContact CD2-O 3.16Å; F54-A61 VanDerWaalsContact CE2-O 3.29Å; F54-A61 WeakPolarHBondContact CE2-O 3.47Å; F54-A61 HydrophobicContact CG-CB 3.89Å; G59-A61 PolarHBondContact O-N 3.21Å; G59-A61 VanDerWaalsContact O-N 3.09Å | ||
| 62 | A | 88.7 | Confident | 86.6 | Confident | 43 Ų | 43 | 67 Ų | 67 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 156 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | H48 | H48-A62 PolarHBondContact N-O 2.89Å; H48-A62 PolarHBondContact O-N 2.85Å; H48-A62 VanDerWaalsContact O-N 3.16Å |
| 63 | C | 91 | Very high | 86.6 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 10% | 0.095 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.6 | 172.4 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | E26 C41 Y45 F54 | E26-C63 WeakPolarHBondContact O-CB 3.37Å; C41-C63 WeakPolarHBondContact CA-SG 3.48Å; C41-C63 HydrophobicContact CB-CB 4Å; C41-C63 WeakPolarHBondContact CB-SG 3.46Å; C41-C63 WeakPolarHBondContact SG-CA 3.33Å; C41-C63 WeakPolarHBondContact SG-CB 3.39Å; C41-C63 CovalentContact SG-SG 2.04Å; C41-C63 PolarHBondContact SG-SG 3.24Å; Y45-C63 HydrophobicContact CD1-CB 4.19Å; F54-C63 VanDerWaalsContact CZ-SG 3.52Å |
| 64 | K | 91.3 | Very high | 86.5 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.7 | 169.1 | -72.7 | -171.3 | 175.9 | 176.1 | 0 | 109.4 | Y45 K46 H48 V66 | Y45-K64 CarbonylContact C-O 3.52Å; Y45-K64 VanDerWaalsContact CA-O 3.25Å; Y45-K64 WeakPolarHBondContact CA-O 3.3Å; K46-K64 PolarHBondContact N-O 3.15Å; K46-K64 PolarHBondContact O-N 2.96Å; H48-K64 HydrophobicContact CB-CB 4.42Å; H48-K64 HydrophobicContact CB-CD 3.78Å; H48-K64 HydrophobicContact CB-CG 3.93Å; H48-K64 WeakPolarHBondContact CD2-CE 3.1Å; H48-K64 PolarHBondContact CD2-NZ 3.19Å; H48-K64 PolarHBondContact NE2-NZ 3.06Å; K64-V66 PolarHBondContact O-N 2.55Å |
| 65 | V | 92.6 | Very high | 86.3 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 36% | 0.358 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 140.5 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 109.6 | G44 Y45 D67 T86 | G44-V65 WeakPolarHBondContact O-CA 3.32Å; Y45-V65 HydrophobicContact CD1-CB 4.21Å; Y45-V65 HydrophobicContact CE1-CB 3.94Å; V65-D67 PolarHBondContact O-N 3.08Å; V65-T86 HydrophobicContact CG1-CG2 3.77Å; V65-T86 HydrophobicContact CG2-CG2 4.5Å |
| 66 | V | 93.9 | Very high | 86.2 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.036 | 40% | 0.403 | C | S | . | . | trans | -66.8 | 126.1 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | G44 K46 K64 T86 Y87 | G44-V66 WeakPolarHBondContact O-CB 3.42Å; G44-V66 WeakPolarHBondContact O-CG2 3.41Å; G44-V66 PolarHBondContact O-N 2.7Å; K46-V66 HydrophobicContact CB-CG2 4.33Å; K46-V66 HydrophobicContact CD-CG2 3.86Å; K46-V66 HydrophobicContact CG-CG2 3.65Å; K64-V66 PolarHBondContact O-N 2.55Å; V66-T86 CarbonylContact O-C 3.55Å; V66-T86 WeakPolarHBondContact O-CA 3.25Å; V66-Y87 PolarHBondContact O-N 3.48Å | ||
| 67 | D | 93.6 | Very high | 86.5 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -113.1 | 118.3 | 172.8 | -172.4 | 0.2 | 0 | 0 | 0 | 108.2 | V65 G69 T85 T86 | V65-D67 PolarHBondContact O-N 3.08Å; D67-G69 PolarHBondContact OD1-N 3.12Å; D67-T85 WeakPolarHBondContact OD1-CB 3.35Å; D67-T85 VanDerWaalsContact OD1-O 3.1Å; D67-T85 PolarHBondContact OD1-OG1 2.71Å; D67-T86 HydrophobicContact CB-CG2 4.45Å |
| 68 | C | 92.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.135 | 37% | 0.374 | C | S | . | . | trans | -80.8 | -7.9 | 178.5 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | T85 C110 W116 | C68-T85 PolarHBondContact N-O 2.91Å; C68-C110 HydrophobicContact CB-CB 3.83Å; C68-C110 WeakPolarHBondContact CB-SG 3.35Å; C68-C110 WeakPolarHBondContact SG-CA 3.48Å; C68-C110 WeakPolarHBondContact SG-CB 3.35Å; C68-C110 CovalentContact SG-SG 2.03Å; C68-C110 PolarHBondContact SG-SG 3Å; C68-W116 HydrophobicContact CB-CD2 4.33Å; C68-W116 HydrophobicContact CB-CG 4.18Å | ||
| 69 | G | 91.1 | Very high | 88.3 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | trans | 67 | -162.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D67 T85 W116 | D67-G69 PolarHBondContact OD1-N 3.12Å; G69-T85 WeakPolarHBondContact O-CG2 3.39Å; G69-W116 PolarHBondContact O-NE1 3.36Å | ||
| 70 | P | 91.9 | Very high | 89.4 | Confident | 118 Ų | 118 | 60.2 Ų | 60.2 | 77% | 0.766 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -60.9 | 135.1 | 178 | -22.3 | 33.6 | 0 | 0 | 0 | 112.1 | ||
| 71 | P | 90.9 | Very high | 90 | Very high | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.104 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.8 | 179.3 | 27.2 | -34.6 | 0 | 0 | 0 | 112 | L73 L79 I82 A91 F93 W116 | P71-L73 PolarHBondContact O-N 3.46Å; P71-L79 HydrophobicContact CG-CD1 3.88Å; P71-L79 HydrophobicContact CG-CD2 3.95Å; P71-I82 HydrophobicContact CG-CD1 3.92Å; P71-A91 HydrophobicContact CB-CB 3.78Å; P71-A91 HydrophobicContact CG-CB 3.87Å; P71-F93 HydrophobicContact CB-CZ 4.07Å; P71-W116 HydrophobicContact CB-CD2 3.88Å; P71-W116 HydrophobicContact CB-CE3 4.42Å; P71-W116 HydrophobicContact CB-CG 4.11Å; P71-W116 HydrophobicContact CB-CZ2 4.19Å |
| 72 | V | 88.7 | Confident | 90.3 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 70% | 0.703 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 125.2 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | F93 | V72-F93 WeakPolarHBondContact O-CE1 3.45Å; V72-F93 VanDerWaalsContact O-CZ 3.3Å; V72-F93 WeakPolarHBondContact O-CZ 3.35Å |
| 73 | L | 84.8 | Confident | 90.5 | Very high | 111 Ų | 111 | 65 Ų | 65 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 131.3 | 175.8 | -74.2 | 162.6 | 0 | 0 | 0 | 110.1 | P71 L79 F93 | P71-L73 PolarHBondContact O-N 3.46Å; L73-L79 HydrophobicContact CD2-CB 4.05Å; L73-F93 HydrophobicContact CD2-CE1 4.48Å |
| 74 | V | 85.2 | Confident | 90.5 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 147.9 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | S77 F93 L121 | V74-S77 VanDerWaalsContact C-OG 3.3Å; V74-S77 WeakPolarHBondContact CA-OG 3.23Å; V74-S77 WeakPolarHBondContact CB-OG 2.98Å; V74-S77 PolarHBondContact N-OG 3.23Å; V74-S77 VanDerWaalsContact O-CB 3.32Å; V74-S77 WeakPolarHBondContact O-CB 3.11Å; V74-S77 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 2.71Å; V74-F93 HydrophobicContact CG2-CD2 4.43Å; V74-F93 HydrophobicContact CG2-CE2 4.49Å; V74-L121 HydrophobicContact CG1-CB 4.37Å; V74-L121 WeakPolarHBondContact CG1-O 3.3Å |
| 75 | E | 84.6 | Confident | 90.6 | Very high | 162 Ų | 162 | 65.6 Ų | 65.6 | 76% | 0.757 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 138.5 | -179.4 | -166.6 | 173.8 | -170.9 | 0 | 0 | 111.7 | S77 | E75-S77 PolarHBondContact O-N 3.12Å; E75-S77 VanDerWaalsContact O-N 3.12Å |
| 76 | D | 85.6 | Confident | 90.7 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27.4 | -177.3 | -57.5 | -46.9 | 0 | 0 | 0 | 114.1 | E96 F99 C123 R143 | D76-E96 PolarHBondContact O-N 3.45Å; D76-F99 HydrophobicContact CB-CD1 3.82Å; D76-F99 HydrophobicContact CB-CD2 4.13Å; D76-F99 HydrophobicContact CB-CE1 3.59Å; D76-F99 HydrophobicContact CB-CE2 3.87Å; D76-F99 HydrophobicContact CB-CG 4.08Å; D76-F99 HydrophobicContact CB-CZ 3.6Å; D76-F99 VanDerWaalsContact CG-CE1 3.42Å; D76-F99 VanDerWaalsContact OD1-CZ 3.31Å; D76-F99 WeakPolarHBondContact OD1-CZ 3.37Å; D76-F99 VanDerWaalsContact OD2-CE1 3.23Å; D76-F99 WeakPolarHBondContact OD2-CE1 3.39Å; D76-F99 WeakPolarHBondContact OD2-CZ 3.34Å; D76-C123 HydrophobicContact CB-CB 4.19Å; D76-R143 IonicContact OD1-CZ 2.73Å; D76-R143 IonicContact OD1-NH1 3.32Å; D76-R143 IonicContact OD1-NH2 3.23Å; D76-R143 PolarHBondContact OD1-NH2 3.14Å |
| 77 | S | 87.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.028 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.5 | -179.6 | 87.2 | 0 | 0 | 0 | 0 | 113.5 | V74 E75 G94 | V74-S77 VanDerWaalsContact C-OG 3.3Å; V74-S77 WeakPolarHBondContact CA-OG 3.23Å; V74-S77 WeakPolarHBondContact CB-OG 2.98Å; V74-S77 PolarHBondContact N-OG 3.23Å; V74-S77 VanDerWaalsContact O-CB 3.32Å; V74-S77 WeakPolarHBondContact O-CB 3.11Å; V74-S77 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 2.71Å; E75-S77 PolarHBondContact O-N 3.12Å; E75-S77 VanDerWaalsContact O-N 3.12Å; S77-G94 CarbonylContact C-O 3.57Å; S77-G94 WeakPolarHBondContact CA-O 3.43Å; S77-G94 VanDerWaalsContact CB-O 3.26Å; S77-G94 WeakPolarHBondContact CB-O 3.38Å |
| 78 | V | 91 | Very high | 90.5 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.9 | 173.1 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | L80 F93 G94 E96 | V78-L80 HydrophobicContact CG2-CD2 4.02Å; V78-L80 PolarHBondContact O-N 3.11Å; V78-F93 CarbonylContact O-C 3.54Å; V78-F93 VanDerWaalsContact O-CA 3.3Å; V78-F93 WeakPolarHBondContact O-CA 3.42Å; V78-G94 PolarHBondContact N-O 3.44Å; V78-G94 PolarHBondContact O-N 2.84Å; V78-E96 HydrophobicContact CG1-CG 3.55Å |
| 79 | L | 92.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 115.5 | 169.8 | -177.2 | 68.4 | 0 | 0 | 0 | 109.4 | P71 L73 A91 F93 | P71-L79 HydrophobicContact CG-CD1 3.88Å; P71-L79 HydrophobicContact CG-CD2 3.95Å; L73-L79 HydrophobicContact CD2-CB 4.05Å; L79-A91 HydrophobicContact CD1-CB 4.02Å; L79-F93 HydrophobicContact CB-CD1 4.5Å; L79-F93 HydrophobicContact CD1-CD1 4.07Å; L79-F93 HydrophobicContact CD1-CE1 3.82Å; L79-F93 HydrophobicContact CD1-CZ 4.38Å |
| 80 | L | 91.7 | Very high | 90.7 | Very high | 111 Ų | 111 | 66.2 Ų | 66.2 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -45.2 | -179.9 | -64.5 | 176.8 | 0 | 0 | 0 | 112.1 | V78 R92 F93 | V78-L80 HydrophobicContact CG2-CD2 4.02Å; V78-L80 PolarHBondContact O-N 3.11Å; L80-R92 WeakPolarHBondContact CB-O 3.34Å; L80-R92 PolarHBondContact N-O 3.34Å; L80-F93 WeakPolarHBondContact CD1-O 3.3Å |
| 81 | S | 92.6 | Very high | 90.8 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 151.9 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | R92 | S81-R92 PolarHBondContact N-O 3.35Å; S81-R92 PolarHBondContact O-N 3.47Å |
| 82 | I | 93.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 35% | 0.349 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.9 | 173.6 | -170.7 | 171.7 | 0 | 0 | 0 | 109.7 | P71 T85 A91 W116 | P71-I82 HydrophobicContact CG-CD1 3.92Å; I82-T85 HydrophobicContact CD1-CG2 3.72Å; I82-A91 HydrophobicContact CG1-CB 4.43Å; I82-W116 HydrophobicContact CD1-CH2 4.02Å; I82-W116 HydrophobicContact CD1-CZ2 3.86Å; I82-W116 HydrophobicContact CG1-CH2 4.22Å |
| 83 | T | 93.4 | Very high | 91.1 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -77.2 | -54.1 | 178.9 | -40.2 | 0 | 0 | 0 | 0 | 111.4 | V90 | T83-V90 PolarHBondContact N-O 3.03Å; T83-V90 VanDerWaalsContact N-O 3.08Å; T83-V90 PolarHBondContact OG1-O 3.34Å |
| 84 | F | 92 | Very high | 91.4 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | trans | -164.2 | 163.3 | 174.2 | 44 | -95.9 | 0 | 0 | 0 | 108.6 | T86 G89 | F84-T86 WeakPolarHBondContact CD2-O 3.37Å; F84-T86 WeakPolarHBondContact CD2-OG1 3.38Å; F84-G89 WeakPolarHBondContact O-CA 3.45Å | ||
| 85 | T | 93.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -94.3 | -7.5 | -178.1 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | D67 C68 G69 I82 C110 | D67-T85 WeakPolarHBondContact OD1-CB 3.35Å; D67-T85 VanDerWaalsContact OD1-O 3.1Å; D67-T85 PolarHBondContact OD1-OG1 2.71Å; C68-T85 PolarHBondContact N-O 2.91Å; G69-T85 WeakPolarHBondContact O-CG2 3.39Å; I82-T85 HydrophobicContact CD1-CG2 3.72Å; T85-C110 PolarHBondContact O-SG 3.31Å; T85-C110 VanDerWaalsContact O-SG 3.36Å |
| 86 | T | 93.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 166.9 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | V65 V66 D67 F84 G88 G89 C110 | V65-T86 HydrophobicContact CG1-CG2 3.77Å; V65-T86 HydrophobicContact CG2-CG2 4.5Å; V66-T86 CarbonylContact O-C 3.55Å; V66-T86 WeakPolarHBondContact O-CA 3.25Å; D67-T86 HydrophobicContact CB-CG2 4.45Å; F84-T86 WeakPolarHBondContact CD2-O 3.37Å; F84-T86 WeakPolarHBondContact CD2-OG1 3.38Å; T86-G88 PolarHBondContact O-N 3.4Å; T86-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 PolarHBondContact O-N 3.27Å; T86-C110 VanDerWaalsContact C-SG 3.56Å |
| 87 | Y | 94 | Very high | 91.1 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 37% | 0.373 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.7 | 128.2 | -179.6 | 177.2 | -108.9 | 0 | 0 | 0 | 113.5 | I43 V66 G89 A112 | I43-Y87 HydrophobicContact CG2-CE2 4.34Å; I43-Y87 WeakPolarHBondContact CG2-OH 3.31Å; V66-Y87 PolarHBondContact O-N 3.48Å; Y87-G89 VanDerWaalsContact C-N 3.28Å; Y87-A112 HydrophobicContact CD2-CB 4.16Å; Y87-A112 HydrophobicContact CE2-CB 3.75Å |
| 88 | G | 90.7 | Very high | 90.4 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | T86 C110 | T86-G88 PolarHBondContact O-N 3.4Å; G88-C110 PolarHBondContact N-O 3.09Å |
| 89 | G | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -65 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F84 T86 Y87 V109 C110 W116 | F84-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 PolarHBondContact O-N 3.27Å; Y87-G89 VanDerWaalsContact C-N 3.28Å; G89-V109 CarbonylContact O-C 3.24Å; G89-V109 VanDerWaalsContact O-CA 3.29Å; G89-V109 WeakPolarHBondContact O-CA 3.22Å; G89-C110 PolarHBondContact O-N 2.86Å; G89-W116 VanDerWaalsContact O-CZ3 3.26Å; G89-W116 WeakPolarHBondContact O-CZ3 3.38Å | ||
| 90 | V | 94.3 | Very high | 89.5 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.4 | -176.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | T83 S108 V109 | T83-V90 PolarHBondContact N-O 3.03Å; T83-V90 VanDerWaalsContact N-O 3.08Å; T83-V90 PolarHBondContact OG1-O 3.34Å; V90-S108 WeakPolarHBondContact CA-O 3.37Å; V90-V109 HydrophobicContact CG2-CG2 4.3Å |
| 91 | A | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | P71 L79 I82 F93 S107 S108 W116 | P71-A91 HydrophobicContact CB-CB 3.78Å; P71-A91 HydrophobicContact CG-CB 3.87Å; L79-A91 HydrophobicContact CD1-CB 4.02Å; I82-A91 HydrophobicContact CG1-CB 4.43Å; A91-F93 HydrophobicContact CB-CE2 4.31Å; A91-F93 HydrophobicContact CB-CZ 4.27Å; A91-S107 CarbonylContact O-C 3.52Å; A91-S107 VanDerWaalsContact O-CA 3.25Å; A91-S107 WeakPolarHBondContact O-CA 3.16Å; A91-S108 PolarHBondContact N-O 3.32Å; A91-S108 PolarHBondContact O-N 3.49Å; A91-W116 HydrophobicContact CB-CE3 4.11Å; A91-W116 HydrophobicContact CB-CH2 3.96Å; A91-W116 HydrophobicContact CB-CZ3 3.66Å |
| 92 | R | 93.6 | Very high | 88.8 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132 | 175.9 | -64.6 | -172.2 | 179.8 | 98 | -0.4 | 110.6 | L80 S81 N106 | L80-R92 WeakPolarHBondContact CB-O 3.34Å; L80-R92 PolarHBondContact N-O 3.34Å; S81-R92 PolarHBondContact N-O 3.35Å; S81-R92 PolarHBondContact O-N 3.47Å; R92-N106 CarbonylContact C-O 3.55Å; R92-N106 WeakPolarHBondContact CA-O 3.32Å |
| 93 | F | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 157.2 | -179.5 | -55.8 | -82.4 | 0 | 0 | 0 | 111.3 | P71 V72 L73 V74 V78 L79 L80 A91 N106 L121 | P71-F93 HydrophobicContact CB-CZ 4.07Å; V72-F93 WeakPolarHBondContact O-CE1 3.45Å; V72-F93 VanDerWaalsContact O-CZ 3.3Å; V72-F93 WeakPolarHBondContact O-CZ 3.35Å; L73-F93 HydrophobicContact CD2-CE1 4.48Å; V74-F93 HydrophobicContact CG2-CD2 4.43Å; V74-F93 HydrophobicContact CG2-CE2 4.49Å; V78-F93 CarbonylContact O-C 3.54Å; V78-F93 VanDerWaalsContact O-CA 3.3Å; V78-F93 WeakPolarHBondContact O-CA 3.42Å; L79-F93 HydrophobicContact CB-CD1 4.5Å; L79-F93 HydrophobicContact CD1-CD1 4.07Å; L79-F93 HydrophobicContact CD1-CE1 3.82Å; L79-F93 HydrophobicContact CD1-CZ 4.38Å; L80-F93 WeakPolarHBondContact CD1-O 3.3Å; A91-F93 HydrophobicContact CB-CE2 4.31Å; A91-F93 HydrophobicContact CB-CZ 4.27Å; F93-N106 PolarHBondContact N-O 3.47Å; F93-N106 WeakPolarHBondContact O-CB 3.39Å; F93-N106 PolarHBondContact O-ND2 3.28Å; F93-N106 VanDerWaalsContact O-ND2 3.15Å; F93-L121 HydrophobicContact CB-CD2 3.58Å |
| 94 | G | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | S77 V78 | S77-G94 CarbonylContact C-O 3.57Å; S77-G94 WeakPolarHBondContact CA-O 3.43Å; S77-G94 VanDerWaalsContact CB-O 3.26Å; S77-G94 WeakPolarHBondContact CB-O 3.38Å; V78-G94 PolarHBondContact N-O 3.44Å; V78-G94 PolarHBondContact O-N 2.84Å |
| 95 | C | 88.5 | Confident | 88 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 146.7 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | F99 W101 C123 | C95-F99 HydrophobicContact CB-CB 3.7Å; C95-W101 VanDerWaalsContact SG-CA 3.56Å; C95-W101 PolarHBondContact SG-N 3.42Å; C95-C123 WeakPolarHBondContact CA-SG 3.43Å; C95-C123 HydrophobicContact CB-CB 3.83Å; C95-C123 WeakPolarHBondContact CB-SG 3.33Å; C95-C123 VanDerWaalsContact SG-CA 3.56Å; C95-C123 WeakPolarHBondContact SG-CB 3.37Å; C95-C123 CovalentContact SG-SG 2.04Å; C95-C123 PolarHBondContact SG-SG 3.4Å |
| 96 | E | 83.8 | Confident | 87.9 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 163.7 | 171.3 | -82.9 | -174.5 | 177.6 | 0 | 0 | 112.1 | D76 V78 G98 F99 | D76-E96 PolarHBondContact O-N 3.45Å; V78-E96 HydrophobicContact CG1-CG 3.55Å; E96-G98 PolarHBondContact O-N 2.99Å; E96-F99 HydrophobicContact CB-CD2 4.22Å; E96-F99 PolarHBondContact O-N 2.93Å |
| 97 | E | 77.8 | Confident | 87.8 | Confident | 189 Ų | 189 | 66 Ų | 66 | 88% | 0.883 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 128.5 | 177.1 | -164.9 | -176.9 | 174.1 | 0 | 0 | 110.9 | ||
| 98 | G | 72.1 | Confident | 87.7 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 0.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | E96 K126 | E96-G98 PolarHBondContact O-N 2.99Å; G98-K126 WeakPolarHBondContact O-CB 3.26Å; G98-K126 PolarHBondContact O-N 2.68Å |
| 99 | F | 80.8 | Confident | 87.9 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 155.4 | 172.9 | -71 | -97.8 | 0 | 0 | 0 | 112.3 | D76 C95 E96 C123 E124 A125 R143 | D76-F99 HydrophobicContact CB-CD1 3.82Å; D76-F99 HydrophobicContact CB-CD2 4.13Å; D76-F99 HydrophobicContact CB-CE1 3.59Å; D76-F99 HydrophobicContact CB-CE2 3.87Å; D76-F99 HydrophobicContact CB-CG 4.08Å; D76-F99 HydrophobicContact CB-CZ 3.6Å; D76-F99 VanDerWaalsContact CG-CE1 3.42Å; D76-F99 VanDerWaalsContact OD1-CZ 3.31Å; D76-F99 WeakPolarHBondContact OD1-CZ 3.37Å; D76-F99 VanDerWaalsContact OD2-CE1 3.23Å; D76-F99 WeakPolarHBondContact OD2-CE1 3.39Å; D76-F99 WeakPolarHBondContact OD2-CZ 3.34Å; C95-F99 HydrophobicContact CB-CB 3.7Å; E96-F99 HydrophobicContact CB-CD2 4.22Å; E96-F99 PolarHBondContact O-N 2.93Å; F99-C123 HydrophobicContact CB-CB 4.08Å; F99-C123 HydrophobicContact CD1-CB 4.17Å; F99-C123 HydrophobicContact CG-CB 4.43Å; F99-E124 CarbonylContact C-O 3.57Å; F99-E124 WeakPolarHBondContact CA-O 3.28Å; F99-E124 VanDerWaalsContact CD1-C 3.41Å; F99-A125 HydrophobicContact CD1-CB 4.13Å; F99-A125 VanDerWaalsContact CD1-N 3.28Å; F99-A125 HydrophobicContact CE1-CB 3.86Å; F99-A125 HydrophobicContact CZ-CB 4.43Å; F99-R143 VanDerWaalsContact CZ-NH1 3.33Å |
| 100 | V | 84.8 | Confident | 88 | Confident | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.6 | 177.2 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | R102 E124 K126 | V100-R102 HydrophobicContact CG2-CG 4.13Å; V100-R102 PolarHBondContact O-N 2.95Å; V100-E124 WeakPolarHBondContact CG2-O 3.17Å; V100-E124 PolarHBondContact N-O 3.12Å; V100-E124 PolarHBondContact O-N 3.47Å; V100-K126 HydrophobicContact CG1-CB 4.45Å; V100-K126 HydrophobicContact CG1-CG 4.49Å |
| 101 | W | 87.1 | Confident | 87.9 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 115.9 | 174 | 174.4 | 26.7 | 0 | 0 | 0 | 109.1 | C95 R103 G104 N106 L121 | C95-W101 VanDerWaalsContact SG-CA 3.56Å; C95-W101 PolarHBondContact SG-N 3.42Å; W101-R103 PolarHBondContact NE1-O 3.45Å; W101-G104 VanDerWaalsContact CE2-O 3.31Å; W101-G104 VanDerWaalsContact CZ2-O 3.27Å; W101-G104 WeakPolarHBondContact CZ2-O 3.41Å; W101-G104 PolarHBondContact NE1-O 2.93Å; W101-N106 HydrophobicContact CH2-CB 4.36Å; W101-N106 HydrophobicContact CZ2-CB 4.22Å; W101-L121 HydrophobicContact CB-CD1 4.24Å; W101-L121 HydrophobicContact CD2-CD1 4.22Å; W101-L121 HydrophobicContact CG-CD1 3.65Å |
| 102 | R | 82.3 | Confident | 87.8 | Confident | 175 Ų | 175 | 64 Ų | 64 | 66% | 0.66 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -38.4 | -178.3 | -72.8 | -70.2 | -164.9 | 172.2 | 1.6 | 113 | V100 V122 E124 | V100-R102 HydrophobicContact CG2-CG 4.13Å; V100-R102 PolarHBondContact O-N 2.95Å; R102-V122 PolarHBondContact N-O 2.97Å; R102-E124 HydrophobicContact CB-CG 4.34Å; R102-E124 HydrophobicContact CG-CB 4.04Å; R102-E124 HydrophobicContact CG-CG 4.2Å |
| 103 | R | 85.3 | Confident | 87.6 | Confident | 157 Ų | 157 | 63 Ų | 63 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.4 | -172.2 | -69.6 | -178.3 | -76.4 | -178.9 | -2.7 | 111.5 | W101 V122 E124 | W101-R103 PolarHBondContact NE1-O 3.45Å; R103-V122 HydrophobicContact CB-CB 4.24Å; R103-V122 HydrophobicContact CB-CG2 4.46Å; R103-V122 PolarHBondContact O-N 2.81Å; R103-E124 IonicContact CZ-OE1 3.4Å; R103-E124 IonicContact NE-OE1 3.81Å; R103-E124 IonicContact NH2-OE1 2.72Å; R103-E124 PolarHBondContact NH2-OE1 3.49Å |
| 104 | G | 86.7 | Confident | 87.4 | Confident | 30 Ų | 30 | 64 Ų | 64 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 74.2 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | W101 S120 | W101-G104 VanDerWaalsContact CE2-O 3.31Å; W101-G104 VanDerWaalsContact CZ2-O 3.27Å; W101-G104 WeakPolarHBondContact CZ2-O 3.41Å; W101-G104 PolarHBondContact NE1-O 2.93Å; G104-S120 WeakPolarHBondContact CA-O 3.26Å; G104-S120 WeakPolarHBondContact CA-OG 3.42Å |
| 105 | D | 88.8 | Confident | 87.6 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -95.6 | 130.4 | -173.4 | -66.4 | -35.2 | 0 | 0 | 0 | 111 | S107 S119 S120 L121 | D105-S107 PolarHBondContact O-N 2.93Å; D105-S119 PolarHBondContact O-OG 3.19Å; D105-S120 PolarHBondContact N-OG 3.4Å; D105-L121 PolarHBondContact O-N 3.01Å | ||
| 106 | N | 90.9 | Very high | 87.8 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | trans | -84.4 | 13.5 | -177.2 | 78.5 | -26.3 | 0 | 0 | 0 | 113.7 | R92 F93 W101 L121 | R92-N106 CarbonylContact C-O 3.55Å; R92-N106 WeakPolarHBondContact CA-O 3.32Å; F93-N106 PolarHBondContact N-O 3.47Å; F93-N106 WeakPolarHBondContact O-CB 3.39Å; F93-N106 PolarHBondContact O-ND2 3.28Å; F93-N106 VanDerWaalsContact O-ND2 3.15Å; W101-N106 HydrophobicContact CH2-CB 4.36Å; W101-N106 HydrophobicContact CZ2-CB 4.22Å; N106-L121 HydrophobicContact CB-CD1 4.06Å; N106-L121 HydrophobicContact CB-CD2 4.35Å | ||
| 107 | S | 91.9 | Very high | 88.2 | Confident | 42 Ų | 42 | 65 Ų | 65 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.8 | -177.4 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | A91 D105 | A91-S107 CarbonylContact O-C 3.52Å; A91-S107 VanDerWaalsContact O-CA 3.25Å; A91-S107 WeakPolarHBondContact O-CA 3.16Å; D105-S107 PolarHBondContact O-N 2.93Å |
| 108 | S | 93.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.8 | 168.5 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | V90 A91 W116 S117 | V90-S108 WeakPolarHBondContact CA-O 3.37Å; A91-S108 PolarHBondContact N-O 3.32Å; A91-S108 PolarHBondContact O-N 3.49Å; S108-W116 WeakPolarHBondContact O-CZ3 3.36Å; S108-W116 WeakPolarHBondContact OG-CB 3.32Å; S108-S117 VanDerWaalsContact CB-O 3.31Å; S108-S117 WeakPolarHBondContact CB-O 3.27Å; S108-S117 PolarHBondContact OG-N 3.49Å; S108-S117 PolarHBondContact OG-O 3.01Å |
| 109 | V | 94.4 | Very high | 89.2 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.2 | -176.8 | -174 | 0 | 0 | 0 | 0 | 109.8 | G89 V90 G111 S117 | G89-V109 CarbonylContact O-C 3.24Å; G89-V109 VanDerWaalsContact O-CA 3.29Å; G89-V109 WeakPolarHBondContact O-CA 3.22Å; V90-V109 HydrophobicContact CG2-CG2 4.3Å; V109-G111 PolarHBondContact O-N 2.84Å; V109-S117 PolarHBondContact N-OG 2.92Å; V109-S117 WeakPolarHBondContact O-CB 3.49Å; V109-S117 PolarHBondContact O-N 3.36Å |
| 110 | C | 94.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 114.3 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | C68 T85 T86 G88 G89 W116 | C68-C110 HydrophobicContact CB-CB 3.83Å; C68-C110 WeakPolarHBondContact CB-SG 3.35Å; C68-C110 WeakPolarHBondContact SG-CA 3.48Å; C68-C110 WeakPolarHBondContact SG-CB 3.35Å; C68-C110 CovalentContact SG-SG 2.03Å; C68-C110 PolarHBondContact SG-SG 3Å; T85-C110 PolarHBondContact O-SG 3.31Å; T85-C110 VanDerWaalsContact O-SG 3.36Å; T86-C110 VanDerWaalsContact C-SG 3.56Å; G88-C110 PolarHBondContact N-O 3.09Å; G89-C110 PolarHBondContact O-N 2.86Å; C110-W116 HydrophobicContact CB-CD2 4.38Å; C110-W116 HydrophobicContact CB-CE3 4.22Å; C110-W116 HydrophobicContact CB-CH2 4.22Å; C110-W116 HydrophobicContact CB-CZ2 4.37Å; C110-W116 HydrophobicContact CB-CZ3 4.14Å |
| 111 | G | 92.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | trans | -81.7 | 167 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V109 D113 G114 S115 | V109-G111 PolarHBondContact O-N 2.84Å; G111-D113 WeakPolarHBondContact CA-OD1 3.48Å; G111-D113 PolarHBondContact O-N 2.99Å; G111-G114 PolarHBondContact O-N 2.93Å; G111-S115 PolarHBondContact N-O 3.32Å | ||
| 112 | A | 90.8 | Very high | 89.7 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I43 K46 Y87 G114 | I43-A112 HydrophobicContact CG2-CB 3.79Å; K46-A112 WeakPolarHBondContact CE-O 3.49Å; Y87-A112 HydrophobicContact CD2-CB 4.16Å; Y87-A112 HydrophobicContact CE2-CB 3.75Å; A112-G114 PolarHBondContact O-N 2.8Å |
| 113 | D | 90.4 | Very high | 89.8 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.7 | 173.6 | 68.6 | -43.5 | 0 | 0 | 0 | 112.4 | K46 G111 S115 | K46-D113 PolarHBondContact NZ-O 3.48Å; G111-D113 WeakPolarHBondContact CA-OD1 3.48Å; G111-D113 PolarHBondContact O-N 2.99Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 WeakPolarHBondContact OD2-CB 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.06Å |
| 114 | G | 88.8 | Confident | 89.7 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 86.7 | 16.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G111 A112 | G111-G114 PolarHBondContact O-N 2.93Å; A112-G114 PolarHBondContact O-N 2.8Å |
| 115 | S | 93.3 | Very high | 89.3 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -115.1 | 150 | 172.9 | -39.1 | 0 | 0 | 0 | 0 | 110.5 | G111 D113 | G111-S115 PolarHBondContact N-O 3.32Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 WeakPolarHBondContact OD2-CB 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.06Å |
| 116 | W | 93.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 134 | 168.3 | -77.3 | 98.5 | 0 | 0 | 0 | 109.8 | C68 G69 P71 I82 G89 A91 S108 C110 | C68-W116 HydrophobicContact CB-CD2 4.33Å; C68-W116 HydrophobicContact CB-CG 4.18Å; G69-W116 PolarHBondContact O-NE1 3.36Å; P71-W116 HydrophobicContact CB-CD2 3.88Å; P71-W116 HydrophobicContact CB-CE3 4.42Å; P71-W116 HydrophobicContact CB-CG 4.11Å; P71-W116 HydrophobicContact CB-CZ2 4.19Å; I82-W116 HydrophobicContact CD1-CH2 4.02Å; I82-W116 HydrophobicContact CD1-CZ2 3.86Å; I82-W116 HydrophobicContact CG1-CH2 4.22Å; G89-W116 VanDerWaalsContact O-CZ3 3.26Å; G89-W116 WeakPolarHBondContact O-CZ3 3.38Å; A91-W116 HydrophobicContact CB-CE3 4.11Å; A91-W116 HydrophobicContact CB-CH2 3.96Å; A91-W116 HydrophobicContact CB-CZ3 3.66Å; S108-W116 WeakPolarHBondContact O-CZ3 3.36Å; S108-W116 WeakPolarHBondContact OG-CB 3.32Å; C110-W116 HydrophobicContact CB-CD2 4.38Å; C110-W116 HydrophobicContact CB-CE3 4.22Å; C110-W116 HydrophobicContact CB-CH2 4.22Å; C110-W116 HydrophobicContact CB-CZ2 4.37Å; C110-W116 HydrophobicContact CB-CZ3 4.14Å |
| 117 | S | 92.3 | Very high | 88.3 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.7 | 177 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | S108 V109 S119 | S108-S117 VanDerWaalsContact CB-O 3.31Å; S108-S117 WeakPolarHBondContact CB-O 3.27Å; S108-S117 PolarHBondContact OG-N 3.49Å; S108-S117 PolarHBondContact OG-O 3.01Å; V109-S117 PolarHBondContact N-OG 2.92Å; V109-S117 WeakPolarHBondContact O-CB 3.49Å; V109-S117 PolarHBondContact O-N 3.36Å; S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 VanDerWaalsContact O-N 3.16Å |
| 118 | E | 85.2 | Confident | 87.7 | Confident | 192 Ų | 192 | 47.9 Ų | 47.9 | 90% | 0.897 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 121.7 | 178.6 | -166.1 | 176.6 | -180 | 0 | 0 | 110.5 | ||
| 119 | S | 84.6 | Confident | 87.2 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 125.4 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 108.2 | D105 S117 L121 | D105-S119 PolarHBondContact O-OG 3.19Å; S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 3.28Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.72Å |
| 120 | S | 86.4 | Confident | 86.8 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 43% | 0.427 | 33% | 0.334 | S | S | . | . | trans | -84.3 | 13.2 | 179.4 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | G104 D105 V122 | G104-S120 WeakPolarHBondContact CA-O 3.26Å; G104-S120 WeakPolarHBondContact CA-OG 3.42Å; D105-S120 PolarHBondContact N-OG 3.4Å; S120-V122 WeakPolarHBondContact O-CG2 3.42Å; S120-V122 PolarHBondContact O-N 2.81Å; S120-V122 VanDerWaalsContact O-N 3.12Å | ||
| 121 | L | 87.9 | Confident | 86.6 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | trans | -57 | 114.7 | -177.3 | 177.6 | 62.1 | 0 | 0 | 0 | 111.1 | V74 F93 W101 D105 N106 S119 | V74-L121 HydrophobicContact CG1-CB 4.37Å; V74-L121 WeakPolarHBondContact CG1-O 3.3Å; F93-L121 HydrophobicContact CB-CD2 3.58Å; W101-L121 HydrophobicContact CB-CD1 4.24Å; W101-L121 HydrophobicContact CD2-CD1 4.22Å; W101-L121 HydrophobicContact CG-CD1 3.65Å; D105-L121 PolarHBondContact O-N 3.01Å; N106-L121 HydrophobicContact CB-CD1 4.06Å; N106-L121 HydrophobicContact CB-CD2 4.35Å; S119-L121 PolarHBondContact O-N 3.28Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.72Å | ||
| 122 | V | 89 | Confident | 86.4 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.7 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | R102 R103 S120 E124 | R102-V122 PolarHBondContact N-O 2.97Å; R103-V122 HydrophobicContact CB-CB 4.24Å; R103-V122 HydrophobicContact CB-CG2 4.46Å; R103-V122 PolarHBondContact O-N 2.81Å; S120-V122 WeakPolarHBondContact O-CG2 3.42Å; S120-V122 PolarHBondContact O-N 2.81Å; S120-V122 VanDerWaalsContact O-N 3.12Å; V122-E124 HydrophobicContact CG1-CG 4.21Å |
| 123 | C | 85.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.088 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.4 | 171.9 | -70.1 | 0 | 0 | 0 | 0 | 109.1 | D76 C95 F99 | D76-C123 HydrophobicContact CB-CB 4.19Å; C95-C123 WeakPolarHBondContact CA-SG 3.43Å; C95-C123 HydrophobicContact CB-CB 3.83Å; C95-C123 WeakPolarHBondContact CB-SG 3.33Å; C95-C123 VanDerWaalsContact SG-CA 3.56Å; C95-C123 WeakPolarHBondContact SG-CB 3.37Å; C95-C123 CovalentContact SG-SG 2.04Å; C95-C123 PolarHBondContact SG-SG 3.4Å; F99-C123 HydrophobicContact CB-CB 4.08Å; F99-C123 HydrophobicContact CD1-CB 4.17Å; F99-C123 HydrophobicContact CG-CB 4.43Å |
| 124 | E | 83.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.3 | 176.5 | -68.2 | -179.9 | -170.6 | 0 | 0 | 109.5 | F99 V100 R102 R103 V122 K126 | F99-E124 CarbonylContact C-O 3.57Å; F99-E124 WeakPolarHBondContact CA-O 3.28Å; F99-E124 VanDerWaalsContact CD1-C 3.41Å; V100-E124 WeakPolarHBondContact CG2-O 3.17Å; V100-E124 PolarHBondContact N-O 3.12Å; V100-E124 PolarHBondContact O-N 3.47Å; R102-E124 HydrophobicContact CB-CG 4.34Å; R102-E124 HydrophobicContact CG-CB 4.04Å; R102-E124 HydrophobicContact CG-CG 4.2Å; R103-E124 IonicContact CZ-OE1 3.4Å; R103-E124 IonicContact NE-OE1 3.81Å; R103-E124 IonicContact NH2-OE1 2.72Å; R103-E124 PolarHBondContact NH2-OE1 3.49Å; V122-E124 HydrophobicContact CG1-CG 4.21Å; E124-K126 PolarHBondContact O-N 3.08Å |
| 125 | A | 76.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 131.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F99 C127 | F99-A125 HydrophobicContact CD1-CB 4.13Å; F99-A125 VanDerWaalsContact CD1-N 3.28Å; F99-A125 HydrophobicContact CE1-CB 3.86Å; F99-A125 HydrophobicContact CZ-CB 4.43Å; A125-C127 CarbonylContact C-O 3.59Å; A125-C127 WeakPolarHBondContact CB-O 3.25Å; A125-C127 PolarHBondContact O-N 3.12Å |
| 126 | K | 78.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 60 Ų | 60 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -56.8 | -38.6 | -178.5 | -176.8 | 178.6 | 178.2 | 175.5 | 0 | 111 | G98 V100 E124 G167 G169 | G98-K126 WeakPolarHBondContact O-CB 3.26Å; G98-K126 PolarHBondContact O-N 2.68Å; V100-K126 HydrophobicContact CG1-CB 4.45Å; V100-K126 HydrophobicContact CG1-CG 4.49Å; E124-K126 PolarHBondContact O-N 3.08Å; K126-G167 WeakPolarHBondContact CE-O 3.49Å; K126-G167 PolarHBondContact NZ-O 2.78Å; K126-G169 WeakPolarHBondContact O-CA 3.3Å |
| 127 | C | 80.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -99.4 | 142.2 | 166.8 | -72.5 | 0 | 0 | 0 | 0 | 109.8 | A125 C165 G169 W171 | A125-C127 CarbonylContact C-O 3.59Å; A125-C127 WeakPolarHBondContact CB-O 3.25Å; A125-C127 PolarHBondContact O-N 3.12Å; C127-C165 HydrophobicContact CB-CB 3.9Å; C127-C165 WeakPolarHBondContact CB-SG 3.34Å; C127-C165 WeakPolarHBondContact SG-CA 3.06Å; C127-C165 WeakPolarHBondContact SG-CB 3.23Å; C127-C165 CovalentContact SG-SG 2.02Å; C127-C165 PolarHBondContact SG-SG 2.81Å; C127-G169 WeakPolarHBondContact CA-O 3.46Å; C127-W171 HydrophobicContact CB-CD2 4.16Å; C127-W171 HydrophobicContact CB-CG 4.28Å; C127-W171 HydrophobicContact CB-CZ2 4.04Å |
| 128 | G | 79.6 | Confident | 86.8 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | trans | -64.5 | -164.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W171 | G128-W171 PolarHBondContact O-NE1 3.47Š| ||
| 129 | P | 84 | Confident | 87.2 | Confident | 124 Ų | 124 | 56.6 Ų | 56.6 | 81% | 0.805 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -58.1 | 150.2 | -179.1 | 25.6 | -34.4 | 0 | 0 | 0 | 111.6 | W171 | P129-W171 PolarHBondContact O-NE1 2.88Š|
| 130 | V | 86.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 132 | 179.1 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | F132 V138 V146 | V130-F132 PolarHBondContact O-N 2.93Å; V130-V138 HydrophobicContact CG1-CG2 3.99Å; V130-V146 HydrophobicContact CB-CG2 4.48Å; V130-V146 HydrophobicContact CG1-CB 4.25Å; V130-V146 HydrophobicContact CG1-CG1 3.65Å; V130-V146 HydrophobicContact CG1-CG2 3.91Å; V130-V146 HydrophobicContact CG2-CG2 3.86Å |
| 131 | P | 88.7 | Confident | 87.5 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 129.7 | 179.4 | -24.4 | 33.6 | 0 | 0 | 0 | 112 | H148 W171 R173 | P131-H148 PolarHBondContact O-CE1 2.96Å; P131-W171 HydrophobicContact CG-CB 3.42Å; P131-W171 VanDerWaalsContact CG-CB 3.42Å; P131-W171 HydrophobicContact CG-CD2 4.04Å; P131-W171 HydrophobicContact CG-CG 3.52Å; P131-R173 HydrophobicContact CB-CG 3.84Å; P131-R173 HydrophobicContact CG-CG 4.01Å |
| 132 | F | 89.7 | Confident | 87.2 | Confident | 172 Ų | 172 | 67.8 Ų | 67.8 | 75% | 0.754 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 131.2 | 170.8 | 177.1 | -100.8 | 0 | 0 | 0 | 110.4 | V130 A134 | V130-F132 PolarHBondContact O-N 2.93Å; F132-A134 HydrophobicContact CE1-CB 4.3Å |
| 133 | L | 91.1 | Very high | 86.4 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -127.5 | 123.2 | 174.8 | -175.1 | 78.6 | 0 | 0 | 0 | 108.6 | S136 H148 A174 L176 | L133-S136 VanDerWaalsContact CB-OG 3.26Å; L133-S136 WeakPolarHBondContact CB-OG 3.37Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-OG 3Å; L133-H148 HydrophobicContact CD2-CB 3.89Å; L133-A174 HydrophobicContact CD2-CB 4.31Å; L133-L176 HydrophobicContact CD2-CB 3.89Å; L133-L176 HydrophobicContact CD2-CD2 4.01Å; L133-L176 HydrophobicContact CD2-CG 4.2Å | ||
| 134 | A | 91.6 | Very high | 86.1 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 140.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F132 S136 | F132-A134 HydrophobicContact CE1-CB 4.3Å; A134-S136 PolarHBondContact O-N 3.43Å; A134-S136 VanDerWaalsContact O-N 3.14Å |
| 135 | H | 91.9 | Very high | 86.3 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.6 | 179.3 | -46.9 | -69.8 | 0 | 0 | 0 | 113.9 | C150 V151 Y154 C178 | H135-C150 WeakPolarHBondContact O-CA 3.32Å; H135-V151 PolarHBondContact O-N 3.17Å; H135-Y154 HydrophobicContact CB-CD1 3.53Å; H135-Y154 HydrophobicContact CB-CD2 4.08Å; H135-Y154 HydrophobicContact CB-CE1 3.68Å; H135-Y154 HydrophobicContact CB-CE2 4.21Å; H135-Y154 HydrophobicContact CB-CG 3.76Å; H135-Y154 AromaticContact CD2-CE1 3.79Å; H135-Y154 AromaticContact CE1-CE1 3.98Å; H135-Y154 AromaticContact CE1-CZ 3.81Å; H135-Y154 PolarHBondContact CE1-OH 2.8Å; H135-Y154 AromaticContact CG-CD1 3.77Å; H135-Y154 AromaticContact CG-CE1 3.37Å; H135-Y154 AromaticContact CG-CZ 3.63Å; H135-Y154 AromaticContact ND1-CE1 3.51Å; H135-Y154 AromaticContact ND1-CE2 3.85Å; H135-Y154 AromaticContact ND1-CZ 3.26Å; H135-Y154 VanDerWaalsContact ND1-CZ 3.26Å; H135-Y154 PolarHBondContact ND1-OH 2.8Å; H135-C178 HydrophobicContact CB-CB 3.94Å; H135-C178 WeakPolarHBondContact O-CB 3.38Å |
| 136 | S | 94.4 | Very high | 87 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.9 | 178.3 | 80.5 | 0 | 0 | 0 | 0 | 111.4 | L133 A134 R149 | L133-S136 VanDerWaalsContact CB-OG 3.26Å; L133-S136 WeakPolarHBondContact CB-OG 3.37Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-OG 3Å; A134-S136 PolarHBondContact O-N 3.43Å; A134-S136 VanDerWaalsContact O-N 3.14Å; S136-R149 CarbonylContact C-O 3.57Å; S136-R149 WeakPolarHBondContact CA-O 3.2Å; S136-R149 WeakPolarHBondContact CB-O 3.42Å |
| 137 | E | 94.1 | Very high | 87.7 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155.3 | 174.1 | 58.9 | 178.7 | -168.5 | 0 | 0 | 110.1 | V139 H148 R149 V151 | E137-V139 HydrophobicContact CG-CG1 4.48Å; E137-H148 CarbonylContact O-C 3.57Å; E137-H148 WeakPolarHBondContact O-CA 3.47Å; E137-R149 HydrophobicContact CG-CB 4.49Å; E137-R149 PolarHBondContact N-O 3.05Å; E137-R149 PolarHBondContact O-N 3.14Å; E137-R149 IonicContact OE1-CZ 3.79Å; E137-R149 IonicContact OE1-NE 3.66Å; E137-R149 PolarHBondContact OE1-NE 3.15Å; E137-R149 IonicContact OE1-NH2 2.78Å; E137-R149 PolarHBondContact OE1-NH2 3.04Å; E137-V151 HydrophobicContact CB-CG1 4.03Å; E137-V151 HydrophobicContact CG-CG1 4.2Å |
| 138 | V | 94.2 | Very high | 88.4 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.6 | 174 | 176 | 0 | 0 | 0 | 0 | 108.4 | V130 H141 V146 | V130-V138 HydrophobicContact CG1-CG2 3.99Å; V138-H141 HydrophobicContact CG1-CB 4.36Å; V138-V146 HydrophobicContact CB-CG1 4.35Å; V138-V146 HydrophobicContact CG1-CG1 3.65Å; V138-V146 HydrophobicContact CG2-CG1 3.82Å |
| 139 | V | 94.3 | Very high | 89 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -23.1 | 178.8 | -69 | 0 | 0 | 0 | 0 | 112.8 | E137 I147 R149 | E137-V139 HydrophobicContact CG-CG1 4.48Å; V139-I147 HydrophobicContact CG2-CB 4Å; V139-I147 HydrophobicContact CG2-CG2 3.66Å; V139-I147 VanDerWaalsContact CG2-O 3.29Å; V139-I147 WeakPolarHBondContact CG2-O 3.41Å; V139-I147 PolarHBondContact N-O 3.05Å; V139-R149 HydrophobicContact CG1-CB 3.46Å; V139-R149 VanDerWaalsContact CG1-CB 3.46Å; V139-R149 HydrophobicContact CG1-CG 4.33Å; V139-R149 VanDerWaalsContact CG1-CZ 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.35Å |
| 140 | W | 90.6 | Very high | 89.4 | Confident | 124 Ų | 124 | 66.1 Ų | 66.1 | 47% | 0.47 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 143.7 | -178.9 | -177.6 | 86.9 | 0 | 0 | 0 | 110.5 | N142 V145 I147 | W140-N142 HydrophobicContact CH2-CB 3.52Å; W140-N142 WeakPolarHBondContact CH2-ND2 3.48Å; W140-N142 HydrophobicContact CZ2-CB 3.72Å; W140-N142 HydrophobicContact CZ3-CB 4.2Å; W140-V145 HydrophobicContact CZ3-CB 4.08Å; W140-V145 HydrophobicContact CZ3-CG1 4.18Å; W140-I147 HydrophobicContact CB-CB 4.47Å; W140-I147 HydrophobicContact CD2-CD1 4.46Å; W140-I147 HydrophobicContact CE3-CD1 3.8Å; W140-I147 HydrophobicContact CE3-CG1 3.96Å; W140-I147 HydrophobicContact CZ3-CD1 4.36Å; W140-I147 PolarHBondContact O-N 2.9Å |
| 141 | H | 86.1 | Confident | 89.7 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 144.8 | 170.7 | 65 | 89.3 | 0 | 0 | 0 | 111.7 | V138 V145 V146 | V138-H141 HydrophobicContact CG1-CB 4.36Å; H141-V145 VanDerWaalsContact CA-O 3.27Å; H141-V145 WeakPolarHBondContact CA-O 3.33Å; H141-V146 HydrophobicContact CB-CB 4.49Å; H141-V146 HydrophobicContact CB-CG1 4.5Å; H141-V146 HydrophobicContact CB-CG2 3.95Å |
| 142 | N | 81.4 | Confident | 89.4 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | trans | -123.6 | 32.4 | 170 | 73.2 | -14.3 | 0 | 0 | 0 | 112.3 | W140 S144 V145 | W140-N142 HydrophobicContact CH2-CB 3.52Å; W140-N142 WeakPolarHBondContact CH2-ND2 3.48Å; W140-N142 HydrophobicContact CZ2-CB 3.72Å; W140-N142 HydrophobicContact CZ3-CB 4.2Å; N142-S144 PolarHBondContact O-N 2.88Å; N142-V145 PolarHBondContact N-O 3.17Å; N142-V145 WeakPolarHBondContact OD1-CA 3.4Å; N142-V145 WeakPolarHBondContact OD1-CB 3.4Å; N142-V145 PolarHBondContact OD1-N 3.07Å; N142-V145 PolarHBondContact OD1-O 2.85Å | ||
| 143 | R | 73.2 | Confident | 88.8 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 66 | -26.2 | -178.4 | -50.9 | -175.4 | -173.2 | -99.1 | 21.9 | 115.6 | D76 F99 W171 | D76-R143 IonicContact OD1-CZ 2.73Å; D76-R143 IonicContact OD1-NH1 3.32Å; D76-R143 IonicContact OD1-NH2 3.23Å; D76-R143 PolarHBondContact OD1-NH2 3.14Å; F99-R143 VanDerWaalsContact CZ-NH1 3.33Å; R143-W171 WeakPolarHBondContact O-CH2 3.42Å; R143-W171 WeakPolarHBondContact O-CZ2 3.43Å |
| 144 | S | 78.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -98.1 | -30.1 | 172.7 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | N142 V164 C165 W171 | N142-S144 PolarHBondContact O-N 2.88Å; S144-V164 CarbonylContact O-C 3.53Å; S144-C165 WeakPolarHBondContact O-CB 3.49Å; S144-C165 PolarHBondContact O-N 3.31Å; S144-W171 WeakPolarHBondContact O-CZ3 3.17Å |
| 145 | V | 87.3 | Confident | 88 | Confident | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.3 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | W140 H141 N142 A162 S163 V164 | W140-V145 HydrophobicContact CZ3-CB 4.08Å; W140-V145 HydrophobicContact CZ3-CG1 4.18Å; H141-V145 VanDerWaalsContact CA-O 3.27Å; H141-V145 WeakPolarHBondContact CA-O 3.33Å; N142-V145 PolarHBondContact N-O 3.17Å; N142-V145 WeakPolarHBondContact OD1-CA 3.4Å; N142-V145 WeakPolarHBondContact OD1-CB 3.4Å; N142-V145 PolarHBondContact OD1-N 3.07Å; N142-V145 PolarHBondContact OD1-O 2.85Å; V145-A162 HydrophobicContact CG1-CB 4.48Å; V145-S163 WeakPolarHBondContact CA-O 2.96Å; V145-V164 HydrophobicContact CG2-CG1 4.34Å; V145-V164 HydrophobicContact CG2-CG2 4.38Å |
| 146 | V | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.6 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | V130 V138 H141 A162 S163 W171 | V130-V146 HydrophobicContact CB-CG2 4.48Å; V130-V146 HydrophobicContact CG1-CB 4.25Å; V130-V146 HydrophobicContact CG1-CG1 3.65Å; V130-V146 HydrophobicContact CG1-CG2 3.91Å; V130-V146 HydrophobicContact CG2-CG2 3.86Å; V138-V146 HydrophobicContact CB-CG1 4.35Å; V138-V146 HydrophobicContact CG1-CG1 3.65Å; V138-V146 HydrophobicContact CG2-CG1 3.82Å; H141-V146 HydrophobicContact CB-CB 4.49Å; H141-V146 HydrophobicContact CB-CG1 4.5Å; H141-V146 HydrophobicContact CB-CG2 3.95Å; V146-A162 CarbonylContact O-C 3.56Å; V146-A162 VanDerWaalsContact O-CA 3.28Å; V146-A162 WeakPolarHBondContact O-CA 3.23Å; V146-S163 PolarHBondContact N-O 3.38Å; V146-S163 PolarHBondContact O-N 3.19Å; V146-W171 HydrophobicContact CG2-CH2 3.51Å; V146-W171 HydrophobicContact CG2-CZ2 4.2Å; V146-W171 HydrophobicContact CG2-CZ3 3.78Å |
| 147 | I | 92.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.8 | 175.4 | -58.9 | 175.2 | 0 | 0 | 0 | 108.9 | V139 W140 | V139-I147 HydrophobicContact CG2-CB 4Å; V139-I147 HydrophobicContact CG2-CG2 3.66Å; V139-I147 VanDerWaalsContact CG2-O 3.29Å; V139-I147 WeakPolarHBondContact CG2-O 3.41Å; V139-I147 PolarHBondContact N-O 3.05Å; W140-I147 HydrophobicContact CB-CB 4.47Å; W140-I147 HydrophobicContact CD2-CD1 4.46Å; W140-I147 HydrophobicContact CE3-CD1 3.8Å; W140-I147 HydrophobicContact CE3-CG1 3.96Å; W140-I147 HydrophobicContact CZ3-CD1 4.36Å; W140-I147 PolarHBondContact O-N 2.9Å |
| 148 | H | 94.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 149.9 | 177.5 | -59.5 | -94.4 | 0 | 0 | 0 | 110.9 | P131 L133 E137 N161 S163 L176 | P131-H148 PolarHBondContact O-CE1 2.96Å; L133-H148 HydrophobicContact CD2-CB 3.89Å; E137-H148 CarbonylContact O-C 3.57Å; E137-H148 WeakPolarHBondContact O-CA 3.47Å; H148-N161 PolarHBondContact CD2-O 3.14Å; H148-N161 PolarHBondContact N-O 2.95Å; H148-N161 WeakPolarHBondContact O-CB 2.95Å; H148-S163 PolarHBondContact NE2-OG 3.37Å; H148-L176 HydrophobicContact CB-CD2 4.11Å |
| 149 | R | 92.8 | Very high | 86.1 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.2 | 170.5 | -175.7 | 175.1 | 65.2 | -165.4 | -1.6 | 109 | S136 E137 V139 | S136-R149 CarbonylContact C-O 3.57Å; S136-R149 WeakPolarHBondContact CA-O 3.2Å; S136-R149 WeakPolarHBondContact CB-O 3.42Å; E137-R149 HydrophobicContact CG-CB 4.49Å; E137-R149 PolarHBondContact N-O 3.05Å; E137-R149 PolarHBondContact O-N 3.14Å; E137-R149 IonicContact OE1-CZ 3.79Å; E137-R149 IonicContact OE1-NE 3.66Å; E137-R149 PolarHBondContact OE1-NE 3.15Å; E137-R149 IonicContact OE1-NH2 2.78Å; E137-R149 PolarHBondContact OE1-NH2 3.04Å; V139-R149 HydrophobicContact CG1-CB 3.46Å; V139-R149 VanDerWaalsContact CG1-CB 3.46Å; V139-R149 HydrophobicContact CG1-CG 4.33Å; V139-R149 VanDerWaalsContact CG1-CZ 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.35Å |
| 150 | C | 92.2 | Very high | 86 | Confident | 15 Ų | 15 | 73 Ų | 73 | 10% | 0.101 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 139.9 | 174.5 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | H135 Y154 H155 C178 | H135-C150 WeakPolarHBondContact O-CA 3.32Å; C150-Y154 WeakPolarHBondContact CB-O 3.28Å; C150-H155 VanDerWaalsContact SG-C 3.56Å; C150-C178 WeakPolarHBondContact CA-SG 3.5Å; C150-C178 HydrophobicContact CB-CB 3.79Å; C150-C178 WeakPolarHBondContact CB-SG 3.29Å; C150-C178 WeakPolarHBondContact SG-CA 3.37Å; C150-C178 WeakPolarHBondContact SG-CB 3.25Å; C150-C178 CovalentContact SG-SG 2.04Å; C150-C178 PolarHBondContact SG-SG 3.4Å |
| 151 | V | 91.7 | Very high | 86.2 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 26% | 0.261 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 164.3 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | H135 E137 G153 Y154 | H135-V151 PolarHBondContact O-N 3.17Å; E137-V151 HydrophobicContact CB-CG1 4.03Å; E137-V151 HydrophobicContact CG-CG1 4.2Å; V151-G153 PolarHBondContact O-N 2.81Å; V151-Y154 HydrophobicContact CG2-CD2 3.68Å; V151-Y154 HydrophobicContact CG2-CE2 4.26Å; V151-Y154 HydrophobicContact CG2-CG 4.43Å; V151-Y154 PolarHBondContact O-N 3Å |
| 152 | A | 82.8 | Confident | 86.5 | Confident | 103 Ų | 103 | 67 Ų | 67 | 85% | 0.851 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 153 | G | 76.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -1.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V151 I181 | V151-G153 PolarHBondContact O-N 2.81Å; G153-I181 PolarHBondContact O-N 2.95Å |
| 154 | Y | 84.8 | Confident | 88 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.7 | 174.4 | -66.4 | -102.7 | 0 | 0 | 0 | 110.3 | H135 C150 V151 I179 E180 | H135-Y154 HydrophobicContact CB-CD1 3.53Å; H135-Y154 HydrophobicContact CB-CD2 4.08Å; H135-Y154 HydrophobicContact CB-CE1 3.68Å; H135-Y154 HydrophobicContact CB-CE2 4.21Å; H135-Y154 HydrophobicContact CB-CG 3.76Å; H135-Y154 AromaticContact CD2-CE1 3.79Å; H135-Y154 AromaticContact CE1-CE1 3.98Å; H135-Y154 AromaticContact CE1-CZ 3.81Å; H135-Y154 PolarHBondContact CE1-OH 2.8Å; H135-Y154 AromaticContact CG-CD1 3.77Å; H135-Y154 AromaticContact CG-CE1 3.37Å; H135-Y154 AromaticContact CG-CZ 3.63Å; H135-Y154 AromaticContact ND1-CE1 3.51Å; H135-Y154 AromaticContact ND1-CE2 3.85Å; H135-Y154 AromaticContact ND1-CZ 3.26Å; H135-Y154 VanDerWaalsContact ND1-CZ 3.26Å; H135-Y154 PolarHBondContact ND1-OH 2.8Å; C150-Y154 WeakPolarHBondContact CB-O 3.28Å; V151-Y154 HydrophobicContact CG2-CD2 3.68Å; V151-Y154 HydrophobicContact CG2-CE2 4.26Å; V151-Y154 HydrophobicContact CG2-CG 4.43Å; V151-Y154 PolarHBondContact O-N 3Å; Y154-I179 CarbonylContact C-O 3.42Å; Y154-I179 VanDerWaalsContact CA-O 3.27Å; Y154-I179 WeakPolarHBondContact CA-O 3.47Å; Y154-I179 VanDerWaalsContact CD1-C 3.48Å; Y154-E180 HydrophobicContact CD1-CB 4.15Å; Y154-E180 VanDerWaalsContact CD1-N 3.34Å; Y154-E180 HydrophobicContact CE1-CB 3.81Å; Y154-E180 HydrophobicContact CE1-CG 4.36Å |
| 155 | H | 82.2 | Confident | 88.4 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 157.1 | 173.6 | 80.5 | -77.8 | 0 | 0 | 0 | 111.6 | C150 W157 I179 I181 F203 | C150-H155 VanDerWaalsContact SG-C 3.56Å; H155-W157 PolarHBondContact O-N 2.86Å; H155-I179 WeakPolarHBondContact CE1-CD1 3.3Å; H155-I179 WeakPolarHBondContact CE1-CG1 3.31Å; H155-I179 PolarHBondContact N-O 2.79Å; H155-I179 PolarHBondContact ND1-O 2.82Å; H155-I179 PolarHBondContact O-N 2.94Å; H155-I181 HydrophobicContact CB-CD1 4.07Å; H155-I181 HydrophobicContact CB-CG1 3.93Å; H155-F203 AromaticContact CE1-CE2 3.22Å; H155-F203 WeakPolarHBondContact CE1-CE2 3.35Å; H155-F203 AromaticContact CE1-CZ 3.4Å; H155-F203 VanDerWaalsContact CE1-CZ 3.4Å; H155-F203 WeakPolarHBondContact CE1-CZ 3.33Å; H155-F203 AromaticContact NE2-CE2 3.92Å |
| 156 | S | 84.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.1 | -178.1 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 157 | W | 81.4 | Confident | 87.3 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 102.2 | 178 | -179.7 | -102.9 | 0 | 0 | 0 | 111.4 | H155 N177 I179 | H155-W157 PolarHBondContact O-N 2.86Å; W157-N177 WeakPolarHBondContact CA-O 3.32Å; W157-N177 WeakPolarHBondContact CB-O 3.13Å; W157-N177 PolarHBondContact N-O 2.83Å; W157-N177 VanDerWaalsContact O-CB 3.27Å; W157-N177 WeakPolarHBondContact O-CB 3.11Å; W157-I179 HydrophobicContact CB-CD1 3.56Å; W157-I179 HydrophobicContact CB-CG1 3.89Å; W157-I179 HydrophobicContact CB-CG2 4.11Å; W157-I179 HydrophobicContact CD2-CD1 3.87Å; W157-I179 HydrophobicContact CE3-CD1 4.05Å; W157-I179 HydrophobicContact CG-CD1 3.66Å; W157-I179 HydrophobicContact CG-CG1 4.5Å; W157-I179 HydrophobicContact CG-CG2 4.48Å |
| 158 | R | 81.4 | Confident | 86.7 | Confident | 197 Ų | 197 | 64.7 Ų | 64.7 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 55.7 | 170.7 | 179 | -59.8 | -177.7 | 174.9 | -103 | 1.2 | 113.6 | ||
| 159 | G | 87.5 | Confident | 85.9 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 80.1 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T175 | G159-T175 WeakPolarHBondContact CA-OG1 3.26Š|
| 160 | A | 91.9 | Very high | 85.6 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | trans | -95.2 | 138.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A174 T175 L176 | A160-A174 WeakPolarHBondContact O-CB 3.5Å; A160-T175 PolarHBondContact N-OG1 2.86Å; A160-T175 PolarHBondContact O-N 2.87Å; A160-L176 WeakPolarHBondContact O-CB 3.29Å; A160-L176 PolarHBondContact O-N 2.87Å | ||
| 161 | N | 93.8 | Very high | 85.4 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | trans | -89.8 | 0.2 | -178.8 | 69.8 | -23.1 | 0 | 0 | 0 | 114 | H148 L176 | H148-N161 PolarHBondContact CD2-O 3.14Å; H148-N161 PolarHBondContact N-O 2.95Å; H148-N161 WeakPolarHBondContact O-CB 2.95Å; N161-L176 HydrophobicContact CB-CB 4.39Å; N161-L176 HydrophobicContact CB-CD2 3.97Å | ||
| 162 | A | 93.8 | Very high | 85.4 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 28% | 0.281 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V145 V146 | V145-A162 HydrophobicContact CG1-CB 4.48Å; V146-A162 CarbonylContact O-C 3.56Å; V146-A162 VanDerWaalsContact O-CA 3.28Å; V146-A162 WeakPolarHBondContact O-CA 3.23Å |
| 163 | S | 93.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.4 | 165.7 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | V145 V146 H148 L172 A174 | V145-S163 WeakPolarHBondContact CA-O 2.96Å; V146-S163 PolarHBondContact N-O 3.38Å; V146-S163 PolarHBondContact O-N 3.19Å; H148-S163 PolarHBondContact NE2-OG 3.37Å; S163-L172 CarbonylContact C-O 3.27Å; S163-L172 WeakPolarHBondContact CA-O 3.47Å; S163-A174 WeakPolarHBondContact OG-CB 3.35Å; S163-A174 PolarHBondContact OG-N 3.22Å |
| 164 | V | 91.2 | Very high | 86.4 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 38% | 0.382 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.4 | -173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | S144 V145 S166 L172 | S144-V164 CarbonylContact O-C 3.53Å; V145-V164 HydrophobicContact CG2-CG1 4.34Å; V145-V164 HydrophobicContact CG2-CG2 4.38Å; V164-S166 PolarHBondContact O-N 2.89Å; V164-L172 PolarHBondContact N-O 3.14Å; V164-L172 VanDerWaalsContact O-CB 3.27Å; V164-L172 WeakPolarHBondContact O-CB 3.27Å; V164-L172 PolarHBondContact O-N 3.35Å |
| 165 | C | 88.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 16% | 0.155 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.4 | 175.7 | 176 | 0 | 0 | 0 | 0 | 109.6 | C127 S144 W171 | C127-C165 HydrophobicContact CB-CB 3.9Å; C127-C165 WeakPolarHBondContact CB-SG 3.34Å; C127-C165 WeakPolarHBondContact SG-CA 3.06Å; C127-C165 WeakPolarHBondContact SG-CB 3.23Å; C127-C165 CovalentContact SG-SG 2.02Å; C127-C165 PolarHBondContact SG-SG 2.81Å; S144-C165 WeakPolarHBondContact O-CB 3.49Å; S144-C165 PolarHBondContact O-N 3.31Å; C165-W171 HydrophobicContact CB-CD2 4.35Å; C165-W171 HydrophobicContact CB-CE3 3.98Å; C165-W171 HydrophobicContact CB-CH2 4Å; C165-W171 HydrophobicContact CB-CZ2 4.39Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å |
| 166 | S | 80.3 | Confident | 87.3 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | trans | -79.4 | 160.4 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | V164 S168 G169 L170 | V164-S166 PolarHBondContact O-N 2.89Å; S166-S168 PolarHBondContact O-N 3.08Å; S166-G169 PolarHBondContact O-N 3.49Å; S166-L170 WeakPolarHBondContact CB-O 3.44Å; S166-L170 PolarHBondContact N-O 2.59Å | ||
| 167 | G | 76.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 62% | 0.619 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -16.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K126 | K126-G167 WeakPolarHBondContact CE-O 3.49Å; K126-G167 PolarHBondContact NZ-O 2.78Å |
| 168 | S | 79.4 | Confident | 87.9 | Confident | 86 Ų | 86 | 67 Ų | 67 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.6 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | S166 | S166-S168 PolarHBondContact O-N 3.08Š|
| 169 | G | 78.8 | Confident | 87.9 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 81 | 16.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K126 C127 S166 | K126-G169 WeakPolarHBondContact O-CA 3.3Å; C127-G169 WeakPolarHBondContact CA-O 3.46Å; S166-G169 PolarHBondContact O-N 3.49Å |
| 170 | L | 84.8 | Confident | 87.3 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | trans | -109.6 | 137.2 | 174 | -66 | 172.7 | 0 | 0 | 0 | 110.9 | S166 L172 | S166-L170 WeakPolarHBondContact CB-O 3.44Å; S166-L170 PolarHBondContact N-O 2.59Å; L170-L172 PolarHBondContact O-N 3.26Å | ||
| 171 | W | 88.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.3 | 171.6 | -75.3 | 108.8 | 0 | 0 | 0 | 111.1 | C127 G128 P129 P131 R143 S144 V146 C165 R173 | C127-W171 HydrophobicContact CB-CD2 4.16Å; C127-W171 HydrophobicContact CB-CG 4.28Å; C127-W171 HydrophobicContact CB-CZ2 4.04Å; G128-W171 PolarHBondContact O-NE1 3.47Å; P129-W171 PolarHBondContact O-NE1 2.88Å; P131-W171 HydrophobicContact CG-CB 3.42Å; P131-W171 VanDerWaalsContact CG-CB 3.42Å; P131-W171 HydrophobicContact CG-CD2 4.04Å; P131-W171 HydrophobicContact CG-CG 3.52Å; R143-W171 WeakPolarHBondContact O-CH2 3.42Å; R143-W171 WeakPolarHBondContact O-CZ2 3.43Å; S144-W171 WeakPolarHBondContact O-CZ3 3.17Å; V146-W171 HydrophobicContact CG2-CH2 3.51Å; V146-W171 HydrophobicContact CG2-CZ2 4.2Å; V146-W171 HydrophobicContact CG2-CZ3 3.78Å; C165-W171 HydrophobicContact CB-CD2 4.35Å; C165-W171 HydrophobicContact CB-CE3 3.98Å; C165-W171 HydrophobicContact CB-CH2 4Å; C165-W171 HydrophobicContact CB-CZ2 4.39Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å; W171-R173 PolarHBondContact O-N 2.91Å |
| 172 | L | 91.2 | Very high | 84.8 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 67% | 0.665 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 104.9 | 158.7 | -164.7 | 83.6 | 0 | 0 | 0 | 107.6 | S163 V164 L170 | S163-L172 CarbonylContact C-O 3.27Å; S163-L172 WeakPolarHBondContact CA-O 3.47Å; V164-L172 PolarHBondContact N-O 3.14Å; V164-L172 VanDerWaalsContact O-CB 3.27Å; V164-L172 WeakPolarHBondContact O-CB 3.27Å; V164-L172 PolarHBondContact O-N 3.35Å; L170-L172 PolarHBondContact O-N 3.26Å |
| 173 | R | 89.9 | Confident | 83.5 | Confident | 181 Ų | 181 | 65.4 Ų | 65.4 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | trans | -71.2 | 141.4 | -173.4 | -62.2 | -172.3 | 177.1 | 176.9 | -2 | 111.9 | P131 W171 | P131-R173 HydrophobicContact CB-CG 3.84Å; P131-R173 HydrophobicContact CG-CG 4.01Å; W171-R173 PolarHBondContact O-N 2.91Å | ||
| 174 | A | 92.1 | Very high | 82.5 | Confident | 9 Ų | 9 | 66 Ų | 66 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | trans | -55.3 | 142.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | L133 A160 S163 | L133-A174 HydrophobicContact CD2-CB 4.31Å; A160-A174 WeakPolarHBondContact O-CB 3.5Å; S163-A174 WeakPolarHBondContact OG-CB 3.35Å; S163-A174 PolarHBondContact OG-N 3.22Å | ||
| 175 | T | 92.4 | Very high | 82.1 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | trans | -103.3 | 7.2 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | G159 A160 N177 | G159-T175 WeakPolarHBondContact CA-OG1 3.26Å; A160-T175 PolarHBondContact N-OG1 2.86Å; A160-T175 PolarHBondContact O-N 2.87Å; T175-N177 PolarHBondContact O-N 2.89Å | ||
| 176 | L | 92.2 | Very high | 81.9 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | trans | -54.8 | 121.9 | 176.8 | 170.4 | 70.4 | 0 | 0 | 0 | 110.8 | L133 H148 A160 N161 | L133-L176 HydrophobicContact CD2-CB 3.89Å; L133-L176 HydrophobicContact CD2-CD2 4.01Å; L133-L176 HydrophobicContact CD2-CG 4.2Å; H148-L176 HydrophobicContact CB-CD2 4.11Å; A160-L176 WeakPolarHBondContact O-CB 3.29Å; A160-L176 PolarHBondContact O-N 2.87Å; N161-L176 HydrophobicContact CB-CB 4.39Å; N161-L176 HydrophobicContact CB-CD2 3.97Å | ||
| 177 | N | 89.5 | Confident | 82.1 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.2 | 172.2 | -168.7 | 16.9 | 0 | 0 | 0 | 109.4 | W157 T175 | W157-N177 WeakPolarHBondContact CA-O 3.32Å; W157-N177 WeakPolarHBondContact CB-O 3.13Å; W157-N177 PolarHBondContact N-O 2.83Å; W157-N177 VanDerWaalsContact O-CB 3.27Å; W157-N177 WeakPolarHBondContact O-CB 3.11Å; T175-N177 PolarHBondContact O-N 2.89Å |
| 178 | C | 88.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.7 | 178.3 | -70.5 | 0 | 0 | 0 | 0 | 109.1 | H135 C150 | H135-C178 HydrophobicContact CB-CB 3.94Å; H135-C178 WeakPolarHBondContact O-CB 3.38Å; C150-C178 WeakPolarHBondContact CA-SG 3.5Å; C150-C178 HydrophobicContact CB-CB 3.79Å; C150-C178 WeakPolarHBondContact CB-SG 3.29Å; C150-C178 WeakPolarHBondContact SG-CA 3.37Å; C150-C178 WeakPolarHBondContact SG-CB 3.25Å; C150-C178 CovalentContact SG-SG 2.04Å; C150-C178 PolarHBondContact SG-SG 3.4Å |
| 179 | I | 82.1 | Confident | 83.2 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.9 | -177.6 | 66.3 | -176.6 | 0 | 0 | 0 | 110.8 | Y154 H155 W157 I181 F203 | Y154-I179 CarbonylContact C-O 3.42Å; Y154-I179 VanDerWaalsContact CA-O 3.27Å; Y154-I179 WeakPolarHBondContact CA-O 3.47Å; Y154-I179 VanDerWaalsContact CD1-C 3.48Å; H155-I179 WeakPolarHBondContact CE1-CD1 3.3Å; H155-I179 WeakPolarHBondContact CE1-CG1 3.31Å; H155-I179 PolarHBondContact N-O 2.79Å; H155-I179 PolarHBondContact ND1-O 2.82Å; H155-I179 PolarHBondContact O-N 2.94Å; W157-I179 HydrophobicContact CB-CD1 3.56Å; W157-I179 HydrophobicContact CB-CG1 3.89Å; W157-I179 HydrophobicContact CB-CG2 4.11Å; W157-I179 HydrophobicContact CD2-CD1 3.87Å; W157-I179 HydrophobicContact CE3-CD1 4.05Å; W157-I179 HydrophobicContact CG-CD1 3.66Å; W157-I179 HydrophobicContact CG-CG1 4.5Å; W157-I179 HydrophobicContact CG-CG2 4.48Å; I179-I181 PolarHBondContact O-N 3.17Å; I179-F203 HydrophobicContact CD1-CD1 3.94Å; I179-F203 HydrophobicContact CD1-CE1 3.2Å; I179-F203 HydrophobicContact CD1-CE2 4.29Å; I179-F203 HydrophobicContact CD1-CZ 3.43Å; I179-F203 VanDerWaalsContact CD1-CZ 3.43Å; I179-F203 HydrophobicContact CG1-CE1 4.16Å; I179-F203 HydrophobicContact CG1-CZ 3.95Å |
| 180 | E | 74.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 130.9 | -175.7 | -168.2 | -179.1 | -174.5 | 0 | 0 | 110.6 | Y154 K182 | Y154-E180 HydrophobicContact CD1-CB 4.15Å; Y154-E180 VanDerWaalsContact CD1-N 3.34Å; Y154-E180 HydrophobicContact CE1-CB 3.81Å; Y154-E180 HydrophobicContact CE1-CG 4.36Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 2.97Å |
| 181 | I | 68.4 | Low | 83.4 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | trans | -77.1 | 91.9 | 172.4 | -58.5 | 170.8 | 0 | 0 | 0 | 106.6 | G153 H155 I179 | G153-I181 PolarHBondContact O-N 2.95Å; H155-I181 HydrophobicContact CB-CD1 4.07Å; H155-I181 HydrophobicContact CB-CG1 3.93Å; I179-I181 PolarHBondContact O-N 3.17Å | ||
| 182 | K | 63.9 | Low | 82.8 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | trans | -69.7 | 140.1 | 172.7 | -61.3 | -167.4 | 174.7 | -169.4 | 0 | 110 | E180 E201 | E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 2.97Å; K182-E201 HydrophobicContact CB-CB 3.62Å; K182-E201 HydrophobicContact CB-CG 4.38Å; K182-E201 HydrophobicContact CD-CB 4.03Å; K182-E201 VanDerWaalsContact CD-CD 3.44Å; K182-E201 HydrophobicContact CD-CG 4.15Å; K182-E201 WeakPolarHBondContact CD-OE1 3.25Å; K182-E201 IonicContact NZ-OE1 3.41Å; K182-E201 PolarHBondContact NZ-OE1 3.23Å | ||
| 183 | P | 66.9 | Low | 81.8 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | trans | -60.8 | 129.2 | -180 | 22.8 | -30.7 | 0 | 0 | 0 | 109.9 | V185 N186 F262 | P183-V185 PolarHBondContact O-N 2.9Å; P183-N186 HydrophobicContact CG-CB 4.35Å; P183-F262 HydrophobicContact CB-CZ 4.27Å | ||
| 184 | P | 73.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -61.1 | -16.6 | -177.9 | -23.2 | 31.7 | 0 | 0 | 0 | 114.3 | A200 Y210 A257 A260 F262 | P184-A200 WeakPolarHBondContact O-CA 3.49Å; P184-Y210 PolarHBondContact O-OH 2.82Å; P184-A257 HydrophobicContact CB-CB 3.63Å; P184-A257 HydrophobicContact CG-CB 4.28Å; P184-A260 HydrophobicContact CB-CB 3.87Å; P184-A260 HydrophobicContact CG-CB 3.17Å; P184-F262 HydrophobicContact CG-CB 3.79Å; P184-F262 HydrophobicContact CG-CD1 4.39Å; P184-F262 HydrophobicContact CG-CG 4.19Å |
| 185 | V | 82.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -133.9 | 109.9 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | P183 L188 W198 Y210 I255 F262 A264 | P183-V185 PolarHBondContact O-N 2.9Å; V185-L188 HydrophobicContact CG1-CB 4.4Å; V185-W198 HydrophobicContact CG1-CB 3.93Å; V185-W198 HydrophobicContact CG1-CG 3.91Å; V185-Y210 HydrophobicContact CG2-CD1 4.07Å; V185-Y210 HydrophobicContact CG2-CE1 3.63Å; V185-I255 HydrophobicContact CG2-CG2 4.08Å; V185-F262 HydrophobicContact CB-CD1 4.35Å; V185-F262 HydrophobicContact CB-CE1 4.14Å; V185-F262 HydrophobicContact CG2-CD1 4.5Å; V185-A264 HydrophobicContact CB-CB 4.33Å; V185-A264 HydrophobicContact CG1-CB 4.06Å |
| 186 | N | 83.2 | Confident | 81.2 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 158.8 | 178.1 | -161.1 | -6.2 | 0 | 0 | 0 | 109.8 | P183 L188 K199 E201 | P183-N186 HydrophobicContact CG-CB 4.35Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.04Å; N186-K199 PolarHBondContact N-O 2.86Å; N186-K199 PolarHBondContact O-N 3.23Å; N186-K199 VanDerWaalsContact O-O 3.14Å; N186-E201 PolarHBondContact ND2-OE2 2.87Å |
| 187 | Q | 84.8 | Confident | 81.2 | Confident | 127 Ų | 127 | 63.1 Ų | 63.1 | 59% | 0.593 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 41.2 | 178.2 | -56.6 | -179.2 | -6.3 | 0 | 0 | 113.9 | T189 K199 | Q187-T189 PolarHBondContact O-N 3.38Å; Q187-K199 HydrophobicContact CB-CB 4.44Å |
| 188 | L | 89.8 | Confident | 81.4 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 118.1 | 178.6 | 179.1 | 57.7 | 0 | 0 | 0 | 110.3 | V185 N186 L196 K197 W198 I255 A264 I266 | V185-L188 HydrophobicContact CG1-CB 4.4Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.04Å; L188-L196 HydrophobicContact CD1-CD2 3.83Å; L188-K197 WeakPolarHBondContact CA-O 3.49Å; L188-W198 HydrophobicContact CD1-CB 4.07Å; L188-I255 HydrophobicContact CD1-CD1 3.41Å; L188-I255 VanDerWaalsContact CD1-CD1 3.41Å; L188-I255 HydrophobicContact CD2-CD1 4.1Å; L188-I255 HydrophobicContact CG-CD1 4.41Å; L188-A264 HydrophobicContact CD2-CB 4.11Å; L188-I266 HydrophobicContact CD2-CB 3.93Å; L188-I266 HydrophobicContact CD2-CG2 3.87Å; L188-I266 HydrophobicContact CG-CB 4.3Å; L188-I266 HydrophobicContact CG-CD1 4.35Å; L188-I266 HydrophobicContact CG-CG2 4.2Å |
| 189 | T | 88.9 | Confident | 81.4 | Confident | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.3 | -177.2 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | Q187 K197 | Q187-T189 PolarHBondContact O-N 3.38Å; T189-K197 PolarHBondContact N-O 2.89Å; T189-K197 PolarHBondContact O-N 3.02Å; T189-K197 PolarHBondContact OG1-O 2.73Å |
| 190 | L | 86.2 | Confident | 81.5 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.5 | 173 | -139.1 | 113.8 | 0 | 0 | 0 | 109.3 | G193 C195 L196 I253 A268 | L190-G193 VanDerWaalsContact CD2-C 3.48Å; L190-C195 CarbonylContact C-O 3.55Å; L190-L196 HydrophobicContact CD1-CD2 4.14Å; L190-L196 HydrophobicContact CD1-CG 4.47Å; L190-I253 HydrophobicContact CD1-CD1 3.71Å; L190-A268 HydrophobicContact CD1-CB 3.62Å; L190-A268 HydrophobicContact CD2-CB 4.15Å |
| 191 | Y | 81 | Confident | 81.4 | Confident | 147 Ų | 147 | 57.3 Ų | 57.3 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136.8 | 178.8 | 180 | -103.7 | 0 | 0 | 0 | 110.2 | G193 N194 C195 | Y191-G193 PolarHBondContact O-N 3.11Å; Y191-G193 VanDerWaalsContact O-N 3.1Å; Y191-N194 PolarHBondContact O-N 2.87Å; Y191-C195 HydrophobicContact CD1-CB 4.45Å; Y191-C195 PolarHBondContact N-O 3.24Å; Y191-C195 WeakPolarHBondContact O-CA 3.37Å; Y191-C195 WeakPolarHBondContact O-CB 3.43Å; Y191-C195 PolarHBondContact O-N 2.97Å |
| 192 | N | 76.4 | Confident | 81.3 | Confident | 129 Ų | 129 | 55.5 Ų | 55.5 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 26.4 | 176.2 | -152.9 | 26.3 | 0 | 0 | 0 | 115.3 | N194 | N192-N194 PolarHBondContact O-N 2.73Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact O-OD1 2.84Å |
| 193 | G | 70.4 | Confident | 81.2 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -8.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | L190 Y191 | L190-G193 VanDerWaalsContact CD2-C 3.48Å; Y191-G193 PolarHBondContact O-N 3.11Å; Y191-G193 VanDerWaalsContact O-N 3.1Å |
| 194 | N | 81.8 | Confident | 80.7 | Confident | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | -4.3 | -178.6 | 66.5 | 1.5 | 0 | 0 | 0 | 115.5 | Y191 N192 L243 | Y191-N194 PolarHBondContact O-N 2.87Å; N192-N194 PolarHBondContact O-N 2.73Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact O-OD1 2.84Å; N194-L243 PolarHBondContact O-N 2.84Å |
| 195 | C | 88.9 | Confident | 80.1 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | L190 Y191 I240 I241 C242 | L190-C195 CarbonylContact C-O 3.55Å; Y191-C195 HydrophobicContact CD1-CB 4.45Å; Y191-C195 PolarHBondContact N-O 3.24Å; Y191-C195 WeakPolarHBondContact O-CA 3.37Å; Y191-C195 WeakPolarHBondContact O-CB 3.43Å; Y191-C195 PolarHBondContact O-N 2.97Å; C195-I240 HydrophobicContact CB-CG2 4.24Å; C195-I241 CarbonylContact C-O 3.44Å; C195-I241 WeakPolarHBondContact CA-O 3.44Å; C195-C242 HydrophobicContact CB-CB 4.08Å; C195-C242 WeakPolarHBondContact CB-SG 3.47Å; C195-C242 WeakPolarHBondContact SG-CB 3.47Å; C195-C242 CovalentContact SG-SG 2.05Å; C195-C242 PolarHBondContact SG-SG 3.12Å |
| 196 | L | 91.8 | Very high | 79.3 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.7 | 172.4 | -71.2 | 138.6 | 0 | 0 | 0 | 109.5 | L188 L190 W198 V212 I240 I241 L243 I253 I255 I266 | L188-L196 HydrophobicContact CD1-CD2 3.83Å; L190-L196 HydrophobicContact CD1-CD2 4.14Å; L190-L196 HydrophobicContact CD1-CG 4.47Å; L196-W198 HydrophobicContact CB-CE3 4.4Å; L196-W198 HydrophobicContact CB-CZ3 4.24Å; L196-V212 HydrophobicContact CD1-CG1 3.98Å; L196-I240 CarbonylContact O-C 3.58Å; L196-I240 VanDerWaalsContact O-CA 3.26Å; L196-I240 WeakPolarHBondContact O-CA 2.89Å; L196-I241 HydrophobicContact CB-CG2 4.09Å; L196-I241 HydrophobicContact CD1-CG2 4.26Å; L196-I241 PolarHBondContact N-O 2.62Å; L196-I241 PolarHBondContact O-N 3.08Å; L196-L243 HydrophobicContact CD1-CD1 3.4Å; L196-L243 HydrophobicContact CD1-CD2 4.31Å; L196-L243 HydrophobicContact CD1-CG 3.75Å; L196-I253 HydrophobicContact CD1-CD1 4.33Å; L196-I253 HydrophobicContact CD1-CG2 3.59Å; L196-I253 HydrophobicContact CD2-CD1 4.25Å; L196-I253 HydrophobicContact CD2-CG2 3.93Å; L196-I253 HydrophobicContact CG-CG2 4.38Å; L196-I255 HydrophobicContact CD2-CD1 4.32Å; L196-I266 HydrophobicContact CD2-CG2 3.69Å |
| 197 | K | 92.4 | Very high | 78.9 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.2 | 175.4 | -179.5 | 177.7 | 179.7 | -176.6 | 0 | 109.1 | L188 T189 L239 I240 | L188-K197 WeakPolarHBondContact CA-O 3.49Å; T189-K197 PolarHBondContact N-O 2.89Å; T189-K197 PolarHBondContact O-N 3.02Å; T189-K197 PolarHBondContact OG1-O 2.73Å; K197-L239 WeakPolarHBondContact CA-O 3.34Å; K197-I240 HydrophobicContact CB-CG1 4.32Å; K197-I240 HydrophobicContact CG-CG1 4.07Å |
| 198 | W | 92.3 | Very high | 78.8 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.2 | 173.8 | 68.7 | 101.7 | 0 | 0 | 0 | 111.4 | V185 L188 L196 Y210 L232 L239 I241 I255 | V185-W198 HydrophobicContact CG1-CB 3.93Å; V185-W198 HydrophobicContact CG1-CG 3.91Å; L188-W198 HydrophobicContact CD1-CB 4.07Å; L196-W198 HydrophobicContact CB-CE3 4.4Å; L196-W198 HydrophobicContact CB-CZ3 4.24Å; W198-Y210 HydrophobicContact CZ2-CD1 4.29Å; W198-Y210 HydrophobicContact CZ2-CD2 4.14Å; W198-Y210 AromaticContact CZ2-CG 3.92Å; W198-Y210 HydrophobicContact CZ2-CG 3.92Å; W198-Y210 AromaticContact NE1-CE1 3.75Å; W198-Y210 AromaticContact NE1-CZ 3.85Å; W198-L232 HydrophobicContact CH2-CD2 3.65Å; W198-L232 HydrophobicContact CZ2-CD2 4.13Å; W198-L239 HydrophobicContact CD2-CB 3.96Å; W198-L239 HydrophobicContact CE3-CB 4.24Å; W198-L239 HydrophobicContact CH2-CB 3.88Å; W198-L239 HydrophobicContact CZ2-CB 3.55Å; W198-L239 HydrophobicContact CZ2-CD2 3.89Å; W198-L239 HydrophobicContact CZ2-CG 4.2Å; W198-L239 HydrophobicContact CZ3-CB 4.18Å; W198-L239 PolarHBondContact N-O 2.87Å; W198-L239 VanDerWaalsContact N-O 3.1Å; W198-L239 PolarHBondContact O-N 3.08Å; W198-I241 HydrophobicContact CH2-CB 4.47Å; W198-I241 HydrophobicContact CH2-CG2 3.96Å; W198-I241 HydrophobicContact CZ3-CB 4.41Å; W198-I241 HydrophobicContact CZ3-CG2 3.73Å; W198-I255 HydrophobicContact CD2-CD1 4.22Å; W198-I255 HydrophobicContact CE3-CD1 3.95Å; W198-I255 HydrophobicContact CZ3-CD1 4.17Å |
| 199 | K | 88.6 | Confident | 78.7 | Confident | 65 Ų | 65 | 71 Ų | 71 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | 169.4 | -167.5 | -178.1 | -179.8 | -167.8 | 0 | 108.6 | N186 Q187 D237 | N186-K199 PolarHBondContact N-O 2.86Å; N186-K199 PolarHBondContact O-N 3.23Å; N186-K199 VanDerWaalsContact O-O 3.14Å; Q187-K199 HydrophobicContact CB-CB 4.44Å; K199-D237 CarbonylContact C-O 3.5Å; K199-D237 VanDerWaalsContact CA-O 3.24Å; K199-D237 WeakPolarHBondContact CA-O 3.49Å |
| 200 | A | 84.3 | Confident | 78.8 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | trans | -90.1 | 127.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P184 K202 Y210 D237 L239 | P184-A200 WeakPolarHBondContact O-CA 3.49Å; A200-K202 HydrophobicContact CB-CD 4.49Å; A200-K202 HydrophobicContact CB-CG 4.32Å; A200-Y210 WeakPolarHBondContact CB-OH 3.49Å; A200-D237 PolarHBondContact N-O 3.19Å; A200-L239 HydrophobicContact CB-CD1 3.54Å | ||
| 201 | E | 74 | Confident | 79.1 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | trans | -101.9 | 115.5 | 167.3 | -73.9 | -178.6 | 125.1 | 0 | 0 | 108.1 | K182 N186 | K182-E201 HydrophobicContact CB-CB 3.62Å; K182-E201 HydrophobicContact CB-CG 4.38Å; K182-E201 HydrophobicContact CD-CB 4.03Å; K182-E201 VanDerWaalsContact CD-CD 3.44Å; K182-E201 HydrophobicContact CD-CG 4.15Å; K182-E201 WeakPolarHBondContact CD-OE1 3.25Å; K182-E201 IonicContact NZ-OE1 3.41Å; K182-E201 PolarHBondContact NZ-OE1 3.23Å; N186-E201 PolarHBondContact ND2-OE2 2.87Å | ||
| 202 | K | 65.6 | Low | 79.8 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -140.3 | 160.8 | -175.9 | -59.3 | -179.2 | -169.1 | 168.1 | 0 | 110.5 | A200 E208 Y210 S234 | A200-K202 HydrophobicContact CB-CD 4.49Å; A200-K202 HydrophobicContact CB-CG 4.32Å; K202-E208 HydrophobicContact CD-CB 3.98Å; K202-Y210 WeakPolarHBondContact CE-OH 3.04Å; K202-S234 PolarHBondContact NZ-O 2.77Å | ||
| 203 | F | 61.6 | Low | 80.6 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | trans | -79.2 | 144.6 | 167.9 | -62 | -72.2 | 0 | 0 | 0 | 110 | H155 I179 E205 D206 | H155-F203 AromaticContact CE1-CE2 3.22Å; H155-F203 WeakPolarHBondContact CE1-CE2 3.35Å; H155-F203 AromaticContact CE1-CZ 3.4Å; H155-F203 VanDerWaalsContact CE1-CZ 3.4Å; H155-F203 WeakPolarHBondContact CE1-CZ 3.33Å; H155-F203 AromaticContact NE2-CE2 3.92Å; I179-F203 HydrophobicContact CD1-CD1 3.94Å; I179-F203 HydrophobicContact CD1-CE1 3.2Å; I179-F203 HydrophobicContact CD1-CE2 4.29Å; I179-F203 HydrophobicContact CD1-CZ 3.43Å; I179-F203 VanDerWaalsContact CD1-CZ 3.43Å; I179-F203 HydrophobicContact CG1-CE1 4.16Å; I179-F203 HydrophobicContact CG1-CZ 3.95Å; F203-E205 PolarHBondContact O-N 2.99Å; F203-D206 PolarHBondContact O-N 2.02Å | ||
| 204 | E | 56.6 | Low | 81.7 | Confident | 208 Ų | 208 | 56.8 Ų | 56.8 | 97% | 0.972 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 3.1 | -155.7 | -88 | 177.8 | 148.7 | 0 | 0 | 117.6 | ||
| 205 | E | 60.8 | Low | 82.3 | Confident | 173 Ų | 173 | 57.5 Ų | 57.5 | 81% | 0.808 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | -6.3 | -177.8 | -62.6 | -173.6 | 162.3 | 0 | 0 | 114.9 | F203 | F203-E205 PolarHBondContact O-N 2.99Š|
| 206 | D | 65.1 | Low | 82.3 | Confident | 106 Ų | 106 | 57 Ų | 57 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | trans | -89.2 | 121 | -171.7 | -70.4 | -31.1 | 0 | 0 | 0 | 113.2 | F203 E208 | F203-D206 PolarHBondContact O-N 2.02Å; D206-E208 PolarHBondContact O-N 2.99Å | ||
| 207 | T | 74.9 | Confident | 82 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | trans | -72.6 | 123.6 | 163.8 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | K235 | T207-K235 HydrophobicContact CG2-CD 4.13Å; T207-K235 VanDerWaalsContact CG2-CE 3.44Å; T207-K235 HydrophobicContact CG2-CG 3.55Å | ||
| 208 | E | 83.1 | Confident | 81.5 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 141.6 | 173.6 | -175.7 | 58.8 | -92.8 | 0 | 0 | 109.5 | K202 D206 Y210 S233 S234 A257 V258 A259 A260 | K202-E208 HydrophobicContact CD-CB 3.98Å; D206-E208 PolarHBondContact O-N 2.99Å; E208-Y210 HydrophobicContact CB-CD2 4.49Å; E208-Y210 HydrophobicContact CB-CE2 3.83Å; E208-Y210 HydrophobicContact CG-CD1 4.36Å; E208-Y210 HydrophobicContact CG-CD2 4.32Å; E208-Y210 HydrophobicContact CG-CE1 3.84Å; E208-Y210 HydrophobicContact CG-CE2 3.81Å; E208-S233 WeakPolarHBondContact O-CA 3.24Å; E208-S234 PolarHBondContact N-O 3.13Å; E208-S234 PolarHBondContact O-N 3.5Å; E208-A257 HydrophobicContact CG-CB 4.01Å; E208-V258 PolarHBondContact OE1-N 2.79Å; E208-A259 VanDerWaalsContact OE1-CB 3.25Å; E208-A259 WeakPolarHBondContact OE1-CB 3.41Å; E208-A259 PolarHBondContact OE1-N 3.17Å; E208-A259 WeakPolarHBondContact OE2-CB 3.37Å; E208-A260 WeakPolarHBondContact OE2-CB 3.26Å; E208-A260 PolarHBondContact OE2-N 2.91Å; E208-A260 VanDerWaalsContact OE2-N 3.12Å |
| 209 | L | 88.4 | Confident | 80.5 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.4 | 177.7 | -178.5 | 63.5 | 0 | 0 | 0 | 108.8 | Q231 V258 | L209-Q231 HydrophobicContact CD1-CG 3.68Å; L209-Q231 VanDerWaalsContact CD1-NE2 3.28Å; L209-Q231 HydrophobicContact CG-CG 4.29Å; L209-V258 HydrophobicContact CB-CB 4.23Å; L209-V258 HydrophobicContact CB-CG2 4.4Å; L209-V258 HydrophobicContact CD2-CB 4.44Å; L209-V258 HydrophobicContact CD2-CG2 4.26Å; L209-V258 HydrophobicContact CG-CG2 4.25Å; L209-V258 WeakPolarHBondContact O-CB 3.28Å; L209-V258 VanDerWaalsContact O-CG2 3.32Å; L209-V258 WeakPolarHBondContact O-CG2 3.38Å; L209-V258 PolarHBondContact O-N 2.98Å |
| 210 | Y | 90.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.2 | 177.6 | -63.4 | -79.4 | 0 | 0 | 0 | 110.8 | P184 V185 W198 A200 K202 E208 Q231 L232 L239 I255 T256 A257 | P184-Y210 PolarHBondContact O-OH 2.82Å; V185-Y210 HydrophobicContact CG2-CD1 4.07Å; V185-Y210 HydrophobicContact CG2-CE1 3.63Å; W198-Y210 HydrophobicContact CZ2-CD1 4.29Å; W198-Y210 HydrophobicContact CZ2-CD2 4.14Å; W198-Y210 AromaticContact CZ2-CG 3.92Å; W198-Y210 HydrophobicContact CZ2-CG 3.92Å; W198-Y210 AromaticContact NE1-CE1 3.75Å; W198-Y210 AromaticContact NE1-CZ 3.85Å; A200-Y210 WeakPolarHBondContact CB-OH 3.49Å; K202-Y210 WeakPolarHBondContact CE-OH 3.04Å; E208-Y210 HydrophobicContact CB-CD2 4.49Å; E208-Y210 HydrophobicContact CB-CE2 3.83Å; E208-Y210 HydrophobicContact CG-CD1 4.36Å; E208-Y210 HydrophobicContact CG-CD2 4.32Å; E208-Y210 HydrophobicContact CG-CE1 3.84Å; E208-Y210 HydrophobicContact CG-CE2 3.81Å; Y210-Q231 VanDerWaalsContact O-CA 3.29Å; Y210-Q231 WeakPolarHBondContact O-CA 3.22Å; Y210-L232 HydrophobicContact CD2-CD1 4.01Å; Y210-L232 PolarHBondContact N-O 3.48Å; Y210-L232 PolarHBondContact O-N 3.44Å; Y210-L239 HydrophobicContact CD2-CD2 3.85Å; Y210-L239 HydrophobicContact CE2-CD1 4.32Å; Y210-L239 HydrophobicContact CE2-CD2 3.78Å; Y210-I255 HydrophobicContact CD1-CG2 4.1Å; Y210-T256 CarbonylContact C-O 3.54Å; Y210-T256 WeakPolarHBondContact CA-O 3.46Å; Y210-A257 HydrophobicContact CD1-CB 4.05Å; Y210-A257 HydrophobicContact CE1-CB 3.77Å |
| 211 | K | 92.6 | Very high | 78.4 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117 | 173.2 | -176.5 | -179.3 | 178.6 | -177.8 | 0 | 109.5 | V213 T256 V258 | K211-V213 HydrophobicContact CG-CG2 4.37Å; K211-T256 PolarHBondContact N-O 3.09Å; K211-T256 PolarHBondContact O-N 3.38Å; K211-V258 HydrophobicContact CB-CG2 4.46Å |
| 212 | V | 94.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.9 | 178.3 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | L196 R229 R230 I241 L243 I253 S254 I255 | L196-V212 HydrophobicContact CD1-CG1 3.98Å; V212-R229 CarbonylContact O-C 3.36Å; V212-R229 VanDerWaalsContact O-CA 3.25Å; V212-R229 WeakPolarHBondContact O-CA 3.15Å; V212-R230 HydrophobicContact CB-CB 4.3Å; V212-R230 PolarHBondContact N-O 3.02Å; V212-R230 PolarHBondContact O-N 2.87Å; V212-R230 VanDerWaalsContact O-O 3.12Å; V212-I241 HydrophobicContact CG2-CG2 4.29Å; V212-L243 HydrophobicContact CG1-CD2 4.36Å; V212-I253 HydrophobicContact CG1-CG2 3.91Å; V212-S254 CarbonylContact C-O 3.59Å; V212-S254 WeakPolarHBondContact CA-O 3.18Å; V212-I255 HydrophobicContact CG1-CG1 4.21Å; V212-I255 HydrophobicContact CG2-CG1 4.05Å; V212-I255 HydrophobicContact CG2-CG2 4.33Å |
| 213 | V | 94.3 | Very high | 79 | Confident | 38 Ų | 38 | 80.5 Ų | 80.5 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.8 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | K211 G228 R229 S254 | K211-V213 HydrophobicContact CG-CG2 4.37Å; V213-G228 WeakPolarHBondContact CA-O 3.36Å; V213-R229 HydrophobicContact CG2-CB 4.44Å; V213-S254 PolarHBondContact N-O 3.46Å; V213-S254 PolarHBondContact O-N 3.1Å; V213-S254 PolarHBondContact O-OG 3.1Å; V213-S254 VanDerWaalsContact O-OG 3.12Å |
| 214 | Y | 93.8 | Very high | 79.8 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.7 | 176.9 | 59.5 | -90.8 | 0 | 0 | 0 | 111 | K227 G228 L243 L245 Y251 S252 | Y214-K227 WeakPolarHBondContact O-CA 3.4Å; Y214-G228 VanDerWaalsContact CE1-C 3.49Å; Y214-G228 PolarHBondContact N-O 2.86Å; Y214-G228 PolarHBondContact O-N 3.36Å; Y214-G228 VanDerWaalsContact O-N 3.09Å; Y214-L243 HydrophobicContact CD1-CD1 3.64Å; Y214-L243 HydrophobicContact CD1-CD2 4.02Å; Y214-L243 HydrophobicContact CD1-CG 4.32Å; Y214-L243 HydrophobicContact CE1-CB 4.45Å; Y214-L243 HydrophobicContact CE1-CD1 4.23Å; Y214-L243 HydrophobicContact CE1-CD2 3.98Å; Y214-L243 HydrophobicContact CE1-CG 4.46Å; Y214-L243 HydrophobicContact CG-CD1 4.04Å; Y214-L245 HydrophobicContact CD2-CD2 4Å; Y214-L245 HydrophobicContact CE2-CD2 4.26Å; Y214-L245 HydrophobicContact CG-CD2 4.3Å; Y214-Y251 AromaticContact CD2-CD1 3.91Å; Y214-Y251 HydrophobicContact CD2-CD1 3.91Å; Y214-Y251 AromaticContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CE2-CE1 4.22Å; Y214-S252 CarbonylContact C-O 3.49Å; Y214-S252 WeakPolarHBondContact CA-O 3.32Å |
| 215 | L | 93.3 | Very high | 81.2 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 41% | 0.408 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.4 | 179.7 | -167.9 | 73.3 | 0 | 0 | 0 | 109 | L225 D226 K227 Y251 S252 | L215-L225 HydrophobicContact CD1-CD1 3.64Å; L215-L225 HydrophobicContact CD1-CD2 4.25Å; L215-L225 HydrophobicContact CD1-CG 4Å; L215-L225 HydrophobicContact CD2-CD1 4.38Å; L215-L225 HydrophobicContact CG-CD1 3.93Å; L215-D226 CarbonylContact C-O 3.51Å; L215-D226 WeakPolarHBondContact CA-O 3.27Å; L215-K227 HydrophobicContact CD1-CB 4.08Å; L215-K227 HydrophobicContact CD1-CD 4.35Å; L215-K227 HydrophobicContact CD1-CG 4.17Å; L215-Y251 CarbonylContact O-C 3.43Å; L215-Y251 VanDerWaalsContact O-CA 3.31Å; L215-Y251 WeakPolarHBondContact O-CA 3.27Å; L215-S252 PolarHBondContact N-O 2.57Å; L215-S252 PolarHBondContact O-N 2.72Å |
| 216 | G | 90.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L225 D226 N250 Y251 | G216-L225 WeakPolarHBondContact O-CA 3.05Å; G216-D226 PolarHBondContact N-O 2.86Å; G216-D226 PolarHBondContact O-N 3.35Å; G216-N250 CarbonylContact C-O 3.46Å; G216-N250 WeakPolarHBondContact CA-O 3.29Å; G216-Y251 VanDerWaalsContact CA-CE1 3.43Å |
| 217 | S | 85.7 | Confident | 83.8 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.4 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 111 | N250 | S217-N250 PolarHBondContact N-O 3.02Å; S217-N250 PolarHBondContact O-N 3.33Å |
| 218 | R | 82 | Confident | 84.6 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | trans | -125.7 | 125 | 178 | -70.2 | 172.3 | 174.7 | -178.7 | -2.6 | 109.9 | Y220 Q221 F224 P247 T249 | R218-Y220 HydrophobicContact CB-CD1 4.21Å; R218-Y220 HydrophobicContact CB-CE1 3.89Å; R218-Y220 HydrophobicContact CB-CE2 4.34Å; R218-Y220 WeakPolarHBondContact CD-OH 3.05Å; R218-Y220 HydrophobicContact CG-CE1 4.02Å; R218-Y220 PolarHBondContact NE-OH 3.24Å; R218-Y220 PolarHBondContact O-N 3.12Å; R218-Q221 HydrophobicContact CB-CB 4.16Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 PolarHBondContact O-N 2.77Å; R218-F224 HydrophobicContact CB-CB 4.41Å; R218-F224 HydrophobicContact CB-CD1 4.09Å; R218-F224 HydrophobicContact CG-CD1 3.51Å; R218-F224 HydrophobicContact CG-CE1 3.84Å; R218-F224 HydrophobicContact CG-CG 4.16Å; R218-F224 VanDerWaalsContact CZ-CZ 3.48Å; R218-P247 PolarHBondContact NH2-O 3.07Å; R218-P247 VanDerWaalsContact NH2-O 3.15Å; R218-T249 HydrophobicContact CG-CG2 4.25Å; R218-T249 PolarHBondContact NE-OG1 3.22Å; R218-T249 PolarHBondContact NH2-OG1 2.82Å | ||
| 219 | D | 70.1 | Confident | 85.1 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.6 | -177.7 | -53.8 | -35.4 | 0 | 0 | 0 | 112.3 | N250 | D219-N250 PolarHBondContact OD2-ND2 2.83Å; D219-N250 VanDerWaalsContact OD2-ND2 3.12Å |
| 220 | Y | 62.8 | Low | 85.3 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.9 | -179.6 | 60 | -92.3 | 0 | 0 | 0 | 114.1 | R218 L248 W388 | R218-Y220 HydrophobicContact CB-CD1 4.21Å; R218-Y220 HydrophobicContact CB-CE1 3.89Å; R218-Y220 HydrophobicContact CB-CE2 4.34Å; R218-Y220 WeakPolarHBondContact CD-OH 3.05Å; R218-Y220 HydrophobicContact CG-CE1 4.02Å; R218-Y220 PolarHBondContact NE-OH 3.24Å; R218-Y220 PolarHBondContact O-N 3.12Å; Y220-L248 PolarHBondContact OH-O 2.78Å; Y220-W388 HydrophobicContact CD1-CZ2 4.43Å; Y220-W388 HydrophobicContact CD2-CH2 4.08Å; Y220-W388 AromaticContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CE1-CZ2 4.19Å; Y220-W388 AromaticContact CE2-CH2 3.63Å; Y220-W388 HydrophobicContact CE2-CH2 3.63Å; Y220-W388 AromaticContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CE2-CZ2 3.42Å; Y220-W388 VanDerWaalsContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CG-CZ2 4.21Å; Y220-W388 AromaticContact CZ-CZ2 3.66Å |
| 221 | Q | 66.9 | Low | 85.4 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -135.4 | 78.9 | -177.6 | -168 | -179.6 | 3 | 0 | 0 | 108.3 | R218 S223 F224 | R218-Q221 HydrophobicContact CB-CB 4.16Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 PolarHBondContact O-N 2.77Å; Q221-S223 PolarHBondContact O-N 3.11Å; Q221-S223 VanDerWaalsContact O-N 3.07Å; Q221-F224 HydrophobicContact CB-CB 3.95Å; Q221-F224 HydrophobicContact CG-CB 3.74Å; Q221-F224 VanDerWaalsContact O-CB 3.22Å; Q221-F224 WeakPolarHBondContact O-CB 3.5Å; Q221-F224 PolarHBondContact O-N 3.13Å | ||
| 222 | R | 73.3 | Confident | 85.3 | Confident | 242 Ų | 242 | 80 Ų | 80 | 91% | 0.913 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.3 | -172.6 | -67.3 | -174.8 | 179.8 | -179.4 | 0.1 | 114.6 | F224 | R222-F224 VanDerWaalsContact C-N 3.33Š|
| 223 | S | 77.4 | Confident | 85.1 | Confident | 111 Ų | 111 | 83.8 Ų | 83.8 | 78% | 0.776 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.9 | 176.1 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | Q221 | Q221-S223 PolarHBondContact O-N 3.11Å; Q221-S223 VanDerWaalsContact O-N 3.07Å |
| 224 | F | 79.2 | Confident | 84.6 | Confident | 34 Ų | 34 | 83.7 Ų | 83.7 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | trans | -79.8 | 124.2 | 178.8 | 179.1 | -88.3 | 0 | 0 | 0 | 110.6 | R218 Q221 R222 D226 L246 T249 | R218-F224 HydrophobicContact CB-CB 4.41Å; R218-F224 HydrophobicContact CB-CD1 4.09Å; R218-F224 HydrophobicContact CG-CD1 3.51Å; R218-F224 HydrophobicContact CG-CE1 3.84Å; R218-F224 HydrophobicContact CG-CG 4.16Å; R218-F224 VanDerWaalsContact CZ-CZ 3.48Å; Q221-F224 HydrophobicContact CB-CB 3.95Å; Q221-F224 HydrophobicContact CG-CB 3.74Å; Q221-F224 VanDerWaalsContact O-CB 3.22Å; Q221-F224 WeakPolarHBondContact O-CB 3.5Å; Q221-F224 PolarHBondContact O-N 3.13Å; R222-F224 VanDerWaalsContact C-N 3.33Å; F224-D226 HydrophobicContact CE1-CB 3.99Å; F224-D226 HydrophobicContact CZ-CB 3.97Å; F224-L246 HydrophobicContact CE2-CD1 4.28Å; F224-L246 HydrophobicContact CZ-CD1 3.71Å; F224-T249 HydrophobicContact CE1-CG2 3.78Å | ||
| 225 | L | 86.3 | Confident | 84.1 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 121.2 | 172.6 | -168.9 | 70.7 | 0 | 0 | 0 | 108.5 | L215 G216 | L215-L225 HydrophobicContact CD1-CD1 3.64Å; L215-L225 HydrophobicContact CD1-CD2 4.25Å; L215-L225 HydrophobicContact CD1-CG 4Å; L215-L225 HydrophobicContact CD2-CD1 4.38Å; L215-L225 HydrophobicContact CG-CD1 3.93Å; G216-L225 WeakPolarHBondContact O-CA 3.05Å |
| 226 | D | 88 | Confident | 83.4 | Confident | 34 Ų | 34 | 88.3 Ų | 88.3 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.2 | 169.9 | -179.4 | 40.3 | 0 | 0 | 0 | 109.4 | L215 G216 F224 L246 Y251 | L215-D226 CarbonylContact C-O 3.51Å; L215-D226 WeakPolarHBondContact CA-O 3.27Å; G216-D226 PolarHBondContact N-O 2.86Å; G216-D226 PolarHBondContact O-N 3.35Å; F224-D226 HydrophobicContact CE1-CB 3.99Å; F224-D226 HydrophobicContact CZ-CB 3.97Å; D226-L246 HydrophobicContact CB-CD1 4.11Å; D226-Y251 HydrophobicContact CB-CE1 4.26Å; D226-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D226-Y251 WeakPolarHBondContact OD2-CE1 3.47Å; D226-Y251 PolarHBondContact OD2-OH 3.32Å |
| 227 | K | 92.6 | Very high | 83.1 | Confident | 151 Ų | 151 | 92.6 Ų | 92.6 | 66% | 0.657 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.8 | -178.4 | -176.1 | 179.9 | 179.8 | 177.2 | 0 | 109.8 | Y214 L215 | Y214-K227 WeakPolarHBondContact O-CA 3.4Å; L215-K227 HydrophobicContact CD1-CB 4.08Å; L215-K227 HydrophobicContact CD1-CD 4.35Å; L215-K227 HydrophobicContact CD1-CG 4.17Å |
| 228 | G | 91.2 | Very high | 83.2 | Confident | 14 Ų | 14 | 98.1 Ų | 98.1 | 14% | 0.144 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 169.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V213 Y214 | V213-G228 WeakPolarHBondContact CA-O 3.36Å; Y214-G228 VanDerWaalsContact CE1-C 3.49Å; Y214-G228 PolarHBondContact N-O 2.86Å; Y214-G228 PolarHBondContact O-N 3.36Å; Y214-G228 VanDerWaalsContact O-N 3.09Å |
| 229 | R | 93.6 | Very high | 83.6 | Confident | 194 Ų | 194 | 96.7 Ų | 96.7 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.1 | -180 | 67.5 | -177.2 | -174.6 | -172.7 | 1.8 | 111.2 | V212 V213 | V212-R229 CarbonylContact O-C 3.36Å; V212-R229 VanDerWaalsContact O-CA 3.25Å; V212-R229 WeakPolarHBondContact O-CA 3.15Å; V213-R229 HydrophobicContact CG2-CB 4.44Å |
| 230 | R | 92.7 | Very high | 84.6 | Confident | 100 Ų | 100 | 95.7 Ų | 95.7 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.2 | 171.6 | -72.4 | -65.3 | -170.6 | -110.4 | 6.6 | 109.3 | V212 I241 L243 | V212-R230 HydrophobicContact CB-CB 4.3Å; V212-R230 PolarHBondContact N-O 3.02Å; V212-R230 PolarHBondContact O-N 2.87Å; V212-R230 VanDerWaalsContact O-O 3.12Å; R230-I241 HydrophobicContact CB-CD1 3.54Å; R230-I241 HydrophobicContact CG-CD1 4.04Å; R230-L243 HydrophobicContact CB-CD2 4.42Å; R230-L243 HydrophobicContact CG-CD2 3.85Å |
| 231 | Q | 92.9 | Very high | 85.9 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.4 | 179.2 | -171 | 172.9 | -1.5 | 0 | 0 | 108.8 | L209 Y210 | L209-Q231 HydrophobicContact CD1-CG 3.68Å; L209-Q231 VanDerWaalsContact CD1-NE2 3.28Å; L209-Q231 HydrophobicContact CG-CG 4.29Å; Y210-Q231 VanDerWaalsContact O-CA 3.29Å; Y210-Q231 WeakPolarHBondContact O-CA 3.22Å |
| 232 | L | 91.4 | Very high | 87.1 | Confident | 37 Ų | 37 | 91.9 Ų | 91.9 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144.6 | 175.2 | 73.5 | 91.5 | 0 | 0 | 0 | 109.6 | W198 Y210 L239 I241 | W198-L232 HydrophobicContact CH2-CD2 3.65Å; W198-L232 HydrophobicContact CZ2-CD2 4.13Å; Y210-L232 HydrophobicContact CD2-CD1 4.01Å; Y210-L232 PolarHBondContact N-O 3.48Å; Y210-L232 PolarHBondContact O-N 3.44Å; L232-L239 HydrophobicContact CD1-CD2 3.35Å; L232-I241 HydrophobicContact CD2-CB 4.1Å; L232-I241 HydrophobicContact CD2-CD1 3.83Å; L232-I241 HydrophobicContact CD2-CG1 4.45Å |
| 233 | S | 89.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 80.5 Ų | 80.5 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.9 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | E208 | E208-S233 WeakPolarHBondContact O-CA 3.24Å |
| 234 | S | 84.8 | Confident | 88.2 | Confident | 36 Ų | 36 | 84.8 Ų | 84.8 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.9 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | K202 E208 G236 | K202-S234 PolarHBondContact NZ-O 2.77Å; E208-S234 PolarHBondContact N-O 3.13Å; E208-S234 PolarHBondContact O-N 3.5Å; S234-G236 PolarHBondContact OG-N 2.85Å |
| 235 | K | 81.4 | Confident | 88.5 | Confident | 161 Ų | 161 | 84.4 Ų | 84.4 | 70% | 0.7 | 41% | 0.405 | S | S | * | . | trans | -92.5 | -13.8 | 168.1 | -62.5 | -173.4 | 176.7 | -171.2 | 0 | 112.9 | T207 | T207-K235 HydrophobicContact CG2-CD 4.13Å; T207-K235 VanDerWaalsContact CG2-CE 3.44Å; T207-K235 HydrophobicContact CG2-CG 3.55Å | ||
| 236 | G | 79.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 80.5 Ų | 80.5 | 32% | 0.32 | 38% | 0.384 | S | S | . | . | trans | -69.8 | 155.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S234 L239 | S234-G236 PolarHBondContact OG-N 2.85Å; G236-L239 WeakPolarHBondContact O-CD1 3.27Å | ||
| 237 | D | 84 | Confident | 87.6 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -86 | -26.1 | 177.7 | 69.9 | -34.7 | 0 | 0 | 0 | 112.5 | K199 A200 | K199-D237 CarbonylContact C-O 3.5Å; K199-D237 VanDerWaalsContact CA-O 3.24Å; K199-D237 WeakPolarHBondContact CA-O 3.49Å; A200-D237 PolarHBondContact N-O 3.19Å |
| 238 | R | 87.7 | Confident | 86.9 | Confident | 173 Ų | 173 | 75.2 Ų | 75.2 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.3 | 177 | -70.3 | -179.4 | 175.7 | -169.2 | -1.2 | 110.1 | ||
| 239 | L | 90.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.3 | -176.5 | -58.9 | 97.5 | 0 | 0 | 0 | 110.5 | K197 W198 A200 Y210 L232 G236 | K197-L239 WeakPolarHBondContact CA-O 3.34Å; W198-L239 HydrophobicContact CD2-CB 3.96Å; W198-L239 HydrophobicContact CE3-CB 4.24Å; W198-L239 HydrophobicContact CH2-CB 3.88Å; W198-L239 HydrophobicContact CZ2-CB 3.55Å; W198-L239 HydrophobicContact CZ2-CD2 3.89Å; W198-L239 HydrophobicContact CZ2-CG 4.2Å; W198-L239 HydrophobicContact CZ3-CB 4.18Å; W198-L239 PolarHBondContact N-O 2.87Å; W198-L239 VanDerWaalsContact N-O 3.1Å; W198-L239 PolarHBondContact O-N 3.08Å; A200-L239 HydrophobicContact CB-CD1 3.54Å; Y210-L239 HydrophobicContact CD2-CD2 3.85Å; Y210-L239 HydrophobicContact CE2-CD1 4.32Å; Y210-L239 HydrophobicContact CE2-CD2 3.78Å; L232-L239 HydrophobicContact CD1-CD2 3.35Å; G236-L239 WeakPolarHBondContact O-CD1 3.27Å |
| 240 | I | 91.5 | Very high | 86.2 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 54% | 0.538 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.7 | 177.3 | -58.2 | 176 | 0 | 0 | 0 | 108.3 | C195 L196 K197 | C195-I240 HydrophobicContact CB-CG2 4.24Å; L196-I240 CarbonylContact O-C 3.58Å; L196-I240 VanDerWaalsContact O-CA 3.26Å; L196-I240 WeakPolarHBondContact O-CA 2.89Å; K197-I240 HydrophobicContact CB-CG1 4.32Å; K197-I240 HydrophobicContact CG-CG1 4.07Å |
| 241 | I | 91.3 | Very high | 86.1 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.8 | 171.6 | -164.5 | 167.3 | 0 | 0 | 0 | 111.4 | C195 L196 W198 V212 R230 L232 | C195-I241 CarbonylContact C-O 3.44Å; C195-I241 WeakPolarHBondContact CA-O 3.44Å; L196-I241 HydrophobicContact CB-CG2 4.09Å; L196-I241 HydrophobicContact CD1-CG2 4.26Å; L196-I241 PolarHBondContact N-O 2.62Å; L196-I241 PolarHBondContact O-N 3.08Å; W198-I241 HydrophobicContact CH2-CB 4.47Å; W198-I241 HydrophobicContact CH2-CG2 3.96Å; W198-I241 HydrophobicContact CZ3-CB 4.41Å; W198-I241 HydrophobicContact CZ3-CG2 3.73Å; V212-I241 HydrophobicContact CG2-CG2 4.29Å; R230-I241 HydrophobicContact CB-CD1 3.54Å; R230-I241 HydrophobicContact CG-CD1 4.04Å; L232-I241 HydrophobicContact CD2-CB 4.1Å; L232-I241 HydrophobicContact CD2-CD1 3.83Å; L232-I241 HydrophobicContact CD2-CG1 4.45Å |
| 242 | C | 90.3 | Very high | 86.1 | Confident | 67 Ų | 67 | 60 Ų | 60 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.5 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | C195 | C195-C242 HydrophobicContact CB-CB 4.08Å; C195-C242 WeakPolarHBondContact CB-SG 3.47Å; C195-C242 WeakPolarHBondContact SG-CB 3.47Å; C195-C242 CovalentContact SG-SG 2.05Å; C195-C242 PolarHBondContact SG-SG 3.12Å |
| 243 | L | 89.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -99.2 | 154.8 | 177.8 | -56.8 | -173.9 | 0 | 0 | 0 | 110.1 | N194 L196 V212 Y214 R230 L245 I253 | N194-L243 PolarHBondContact O-N 2.84Å; L196-L243 HydrophobicContact CD1-CD1 3.4Å; L196-L243 HydrophobicContact CD1-CD2 4.31Å; L196-L243 HydrophobicContact CD1-CG 3.75Å; V212-L243 HydrophobicContact CG1-CD2 4.36Å; Y214-L243 HydrophobicContact CD1-CD1 3.64Å; Y214-L243 HydrophobicContact CD1-CD2 4.02Å; Y214-L243 HydrophobicContact CD1-CG 4.32Å; Y214-L243 HydrophobicContact CE1-CB 4.45Å; Y214-L243 HydrophobicContact CE1-CD1 4.23Å; Y214-L243 HydrophobicContact CE1-CD2 3.98Å; Y214-L243 HydrophobicContact CE1-CG 4.46Å; Y214-L243 HydrophobicContact CG-CD1 4.04Å; R230-L243 HydrophobicContact CB-CD2 4.42Å; R230-L243 HydrophobicContact CG-CD2 3.85Å; L243-L245 HydrophobicContact CB-CD2 3.74Å; L243-L245 HydrophobicContact CB-CG 3.89Å; L243-L245 HydrophobicContact CD1-CD2 3.97Å; L243-L245 PolarHBondContact O-N 2.82Å; L243-I253 HydrophobicContact CD1-CD1 4.04Å; L243-I253 HydrophobicContact CD1-CG1 4.38Å; L243-I253 HydrophobicContact CD1-CG2 4.15Å | ||
| 244 | R | 84.8 | Confident | 86.5 | Confident | 200 Ų | 200 | 55.8 Ų | 55.8 | 76% | 0.755 | 28% | 0.284 | S | S | * | . | trans | -95 | 70.8 | 173.9 | -68.1 | -174.9 | -179.3 | 172.3 | -0.4 | 109.4 | ||||
| 245 | L | 85.6 | Confident | 86.8 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 139.3 | -179.9 | -53.9 | -176.9 | 0 | 0 | 0 | 110.6 | Y214 L243 Y251 I253 T270 | Y214-L245 HydrophobicContact CD2-CD2 4Å; Y214-L245 HydrophobicContact CE2-CD2 4.26Å; Y214-L245 HydrophobicContact CG-CD2 4.3Å; L243-L245 HydrophobicContact CB-CD2 3.74Å; L243-L245 HydrophobicContact CB-CG 3.89Å; L243-L245 HydrophobicContact CD1-CD2 3.97Å; L243-L245 PolarHBondContact O-N 2.82Å; L245-Y251 HydrophobicContact CB-CD2 4.13Å; L245-Y251 HydrophobicContact CB-CE2 3.68Å; L245-Y251 HydrophobicContact CD1-CD2 4.26Å; L245-Y251 HydrophobicContact CD2-CD1 3.87Å; L245-Y251 HydrophobicContact CD2-CD2 4.06Å; L245-Y251 HydrophobicContact CD2-CE1 3.87Å; L245-Y251 HydrophobicContact CD2-CE2 4.04Å; L245-Y251 HydrophobicContact CD2-CG 3.96Å; L245-Y251 HydrophobicContact CG-CD2 4.37Å; L245-Y251 HydrophobicContact CG-CE2 4.31Å; L245-I253 HydrophobicContact CD1-CD1 4.39Å; L245-T270 HydrophobicContact CB-CG2 3.87Å; L245-T270 HydrophobicContact CD1-CG2 4.2Å |
| 246 | L | 80.1 | Confident | 87.3 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 149.7 | 177.7 | -62.7 | 172.6 | 0 | 0 | 0 | 110.7 | F224 D226 Y251 T270 L301 | F224-L246 HydrophobicContact CE2-CD1 4.28Å; F224-L246 HydrophobicContact CZ-CD1 3.71Å; D226-L246 HydrophobicContact CB-CD1 4.11Å; L246-Y251 WeakPolarHBondContact CB-OH 3.37Å; L246-Y251 PolarHBondContact N-OH 2.79Å; L246-T270 WeakPolarHBondContact O-CB 3.36Å; L246-T270 PolarHBondContact O-OG1 2.82Å; L246-L301 HydrophobicContact CD2-CD1 4.09Å |
| 247 | P | 76.6 | Confident | 87.7 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.3 | 157.8 | 179.7 | 28.3 | -34.9 | 0 | 0 | 0 | 111.8 | R218 T249 T270 | R218-P247 PolarHBondContact NH2-O 3.07Å; R218-P247 VanDerWaalsContact NH2-O 3.15Å; P247-T249 VanDerWaalsContact C-N 3.26Å; P247-T249 PolarHBondContact O-N 2.05Å; P247-T249 PolarHBondContact O-OG1 2.84Å; P247-T270 VanDerWaalsContact C-OG1 3.29Å; P247-T270 WeakPolarHBondContact CA-OG1 3.46Å |
| 248 | L | 77.1 | Confident | 87.8 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 50.6 | 44 | 175.8 | -62.7 | 168.7 | 0 | 0 | 0 | 113.3 | Y220 T270 L272 W388 | Y220-L248 PolarHBondContact OH-O 2.78Å; L248-T270 WeakPolarHBondContact CA-O 3.47Å; L248-T270 PolarHBondContact N-O 3.43Å; L248-T270 PolarHBondContact N-OG1 2.83Å; L248-T270 VanDerWaalsContact N-OG1 3.08Å; L248-L272 HydrophobicContact CD1-CD1 4.11Å; L248-L272 HydrophobicContact CD2-CB 4.48Å; L248-W388 HydrophobicContact CD1-CB 3.73Å; L248-W388 VanDerWaalsContact CD1-CD1 3.44Å; L248-W388 HydrophobicContact CD1-CD2 3.73Å; L248-W388 HydrophobicContact CD1-CE3 4.48Å; L248-W388 HydrophobicContact CD1-CG 3.33Å |
| 249 | T | 81.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -134.6 | 134.9 | -174.6 | -54.3 | 0 | 0 | 0 | 0 | 109.5 | R218 F224 P247 Y251 T270 | R218-T249 HydrophobicContact CG-CG2 4.25Å; R218-T249 PolarHBondContact NE-OG1 3.22Å; R218-T249 PolarHBondContact NH2-OG1 2.82Å; F224-T249 HydrophobicContact CE1-CG2 3.78Å; P247-T249 VanDerWaalsContact C-N 3.26Å; P247-T249 PolarHBondContact O-N 2.05Å; P247-T249 PolarHBondContact O-OG1 2.84Å; T249-Y251 HydrophobicContact CG2-CD2 3.95Å; T249-Y251 HydrophobicContact CG2-CE1 4.29Å; T249-Y251 HydrophobicContact CG2-CE2 3.47Å; T249-Y251 VanDerWaalsContact CG2-CE2 3.47Å; T249-T270 PolarHBondContact N-OG1 2.85Å; T249-T270 PolarHBondContact O-N 2.84Å; T249-T270 VanDerWaalsContact O-N 3.11Å; T249-T270 PolarHBondContact O-OG1 3Å; T249-T270 VanDerWaalsContact O-OG1 3.13Å | ||
| 250 | N | 87.8 | Confident | 86.7 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.1 | 176.7 | -61.6 | -23.7 | 0 | 0 | 0 | 107.7 | G216 S217 D219 N269 | G216-N250 CarbonylContact C-O 3.46Å; G216-N250 WeakPolarHBondContact CA-O 3.29Å; S217-N250 PolarHBondContact N-O 3.02Å; S217-N250 PolarHBondContact O-N 3.33Å; D219-N250 PolarHBondContact OD2-ND2 2.83Å; D219-N250 VanDerWaalsContact OD2-ND2 3.12Å; N250-N269 VanDerWaalsContact OD1-CG 3.29Å; N250-N269 PolarHBondContact OD1-OD1 2.79Å |
| 251 | Y | 91.6 | Very high | 86.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.9 | -178.7 | -76.8 | -83.2 | 0 | 0 | 0 | 111.5 | Y214 L215 G216 D226 L245 L246 T249 T267 A268 T270 | Y214-Y251 AromaticContact CD2-CD1 3.91Å; Y214-Y251 HydrophobicContact CD2-CD1 3.91Å; Y214-Y251 AromaticContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CE2-CE1 4.22Å; L215-Y251 CarbonylContact O-C 3.43Å; L215-Y251 VanDerWaalsContact O-CA 3.31Å; L215-Y251 WeakPolarHBondContact O-CA 3.27Å; G216-Y251 VanDerWaalsContact CA-CE1 3.43Å; D226-Y251 HydrophobicContact CB-CE1 4.26Å; D226-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D226-Y251 WeakPolarHBondContact OD2-CE1 3.47Å; D226-Y251 PolarHBondContact OD2-OH 3.32Å; L245-Y251 HydrophobicContact CB-CD2 4.13Å; L245-Y251 HydrophobicContact CB-CE2 3.68Å; L245-Y251 HydrophobicContact CD1-CD2 4.26Å; L245-Y251 HydrophobicContact CD2-CD1 3.87Å; L245-Y251 HydrophobicContact CD2-CD2 4.06Å; L245-Y251 HydrophobicContact CD2-CE1 3.87Å; L245-Y251 HydrophobicContact CD2-CE2 4.04Å; L245-Y251 HydrophobicContact CD2-CG 3.96Å; L245-Y251 HydrophobicContact CG-CD2 4.37Å; L245-Y251 HydrophobicContact CG-CE2 4.31Å; L246-Y251 WeakPolarHBondContact CB-OH 3.37Å; L246-Y251 PolarHBondContact N-OH 2.79Å; T249-Y251 HydrophobicContact CG2-CD2 3.95Å; T249-Y251 HydrophobicContact CG2-CE1 4.29Å; T249-Y251 HydrophobicContact CG2-CE2 3.47Å; T249-Y251 VanDerWaalsContact CG2-CE2 3.47Å; Y251-T267 CarbonylContact O-C 3.51Å; Y251-T267 VanDerWaalsContact O-CA 3.28Å; Y251-T267 WeakPolarHBondContact O-CA 3.47Å; Y251-A268 PolarHBondContact N-O 2.85Å; Y251-A268 PolarHBondContact O-N 2.78Å; Y251-T270 HydrophobicContact CD2-CG2 4Å; Y251-T270 HydrophobicContact CE2-CG2 4.08Å |
| 252 | S | 93.5 | Very high | 85.9 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.5 | 160.3 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | Y214 L215 | Y214-S252 CarbonylContact C-O 3.49Å; Y214-S252 WeakPolarHBondContact CA-O 3.32Å; L215-S252 PolarHBondContact N-O 2.57Å; L215-S252 PolarHBondContact O-N 2.72Å |
| 253 | I | 93.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.9 | -174.4 | -54.7 | 169.3 | 0 | 0 | 0 | 108.4 | L190 L196 V212 L243 L245 T265 I266 A268 | L190-I253 HydrophobicContact CD1-CD1 3.71Å; L196-I253 HydrophobicContact CD1-CD1 4.33Å; L196-I253 HydrophobicContact CD1-CG2 3.59Å; L196-I253 HydrophobicContact CD2-CD1 4.25Å; L196-I253 HydrophobicContact CD2-CG2 3.93Å; L196-I253 HydrophobicContact CG-CG2 4.38Å; V212-I253 HydrophobicContact CG1-CG2 3.91Å; L243-I253 HydrophobicContact CD1-CD1 4.04Å; L243-I253 HydrophobicContact CD1-CG1 4.38Å; L243-I253 HydrophobicContact CD1-CG2 4.15Å; L245-I253 HydrophobicContact CD1-CD1 4.39Å; I253-T265 CarbonylContact O-C 3.58Å; I253-T265 VanDerWaalsContact O-CA 3.23Å; I253-T265 WeakPolarHBondContact O-CA 3.4Å; I253-I266 HydrophobicContact CB-CG2 3.94Å; I253-I266 HydrophobicContact CD1-CG2 4.46Å; I253-I266 HydrophobicContact CG2-CG2 4.45Å; I253-I266 PolarHBondContact N-O 2.93Å; I253-I266 PolarHBondContact O-N 3.24Å; I253-A268 HydrophobicContact CD1-CB 4.19Å |
| 254 | S | 93.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.6 | 176.2 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | V212 V213 A264 | V212-S254 CarbonylContact C-O 3.59Å; V212-S254 WeakPolarHBondContact CA-O 3.18Å; V213-S254 PolarHBondContact N-O 3.46Å; V213-S254 PolarHBondContact O-N 3.1Å; V213-S254 PolarHBondContact O-OG 3.1Å; V213-S254 VanDerWaalsContact O-OG 3.12Å; S254-A264 CarbonylContact C-O 3.53Å; S254-A264 WeakPolarHBondContact CA-O 3.17Å |
| 255 | I | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.2 | 173.1 | -56.7 | -178.2 | 0 | 0 | 0 | 107.9 | V185 L188 L196 W198 Y210 V212 T263 A264 | V185-I255 HydrophobicContact CG2-CG2 4.08Å; L188-I255 HydrophobicContact CD1-CD1 3.41Å; L188-I255 VanDerWaalsContact CD1-CD1 3.41Å; L188-I255 HydrophobicContact CD2-CD1 4.1Å; L188-I255 HydrophobicContact CG-CD1 4.41Å; L196-I255 HydrophobicContact CD2-CD1 4.32Å; W198-I255 HydrophobicContact CD2-CD1 4.22Å; W198-I255 HydrophobicContact CE3-CD1 3.95Å; W198-I255 HydrophobicContact CZ3-CD1 4.17Å; Y210-I255 HydrophobicContact CD1-CG2 4.1Å; V212-I255 HydrophobicContact CG1-CG1 4.21Å; V212-I255 HydrophobicContact CG2-CG1 4.05Å; V212-I255 HydrophobicContact CG2-CG2 4.33Å; I255-T263 CarbonylContact O-C 3.56Å; I255-T263 VanDerWaalsContact O-CA 3.23Å; I255-T263 WeakPolarHBondContact O-CA 3.33Å; I255-A264 PolarHBondContact N-O 3Å; I255-A264 PolarHBondContact O-N 3.01Å |
| 256 | T | 90.4 | Very high | 86.6 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.9 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | Y210 K211 F262 T263 | Y210-T256 CarbonylContact C-O 3.54Å; Y210-T256 WeakPolarHBondContact CA-O 3.46Å; K211-T256 PolarHBondContact N-O 3.09Å; K211-T256 PolarHBondContact O-N 3.38Å; T256-F262 CarbonylContact C-O 3.56Å; T256-F262 VanDerWaalsContact CA-O 3.27Å; T256-F262 WeakPolarHBondContact CA-O 3.41Å; T256-T263 WeakPolarHBondContact CG2-OG1 3.44Å; T256-T263 PolarHBondContact OG1-OG1 3.37Å; T256-T263 VanDerWaalsContact OG1-OG1 3.08Å |
| 257 | A | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P184 E208 Y210 A260 R261 F262 | P184-A257 HydrophobicContact CB-CB 3.63Å; P184-A257 HydrophobicContact CG-CB 4.28Å; E208-A257 HydrophobicContact CG-CB 4.01Å; Y210-A257 HydrophobicContact CD1-CB 4.05Å; Y210-A257 HydrophobicContact CE1-CB 3.77Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A257-R261 WeakPolarHBondContact O-CA 3.49Å; A257-R261 PolarHBondContact O-N 2.78Å; A257-F262 HydrophobicContact CB-CB 4.46Å; A257-F262 PolarHBondContact N-O 2.71Å; A257-F262 PolarHBondContact O-N 3.12Å; A257-F262 VanDerWaalsContact O-N 3.12Å |
| 258 | V | 85.7 | Confident | 87.6 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -44.9 | -166.8 | 175.6 | 0 | 0 | 0 | 0 | 112 | E208 L209 K211 R261 | E208-V258 PolarHBondContact OE1-N 2.79Å; L209-V258 HydrophobicContact CB-CB 4.23Å; L209-V258 HydrophobicContact CB-CG2 4.4Å; L209-V258 HydrophobicContact CD2-CB 4.44Å; L209-V258 HydrophobicContact CD2-CG2 4.26Å; L209-V258 HydrophobicContact CG-CG2 4.25Å; L209-V258 WeakPolarHBondContact O-CB 3.28Å; L209-V258 VanDerWaalsContact O-CG2 3.32Å; L209-V258 WeakPolarHBondContact O-CG2 3.38Å; L209-V258 PolarHBondContact O-N 2.98Å; K211-V258 HydrophobicContact CB-CG2 4.46Å; V258-R261 PolarHBondContact O-N 3.27Å |
| 259 | A | 79.3 | Confident | 87.9 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -42.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E208 R261 | E208-A259 VanDerWaalsContact OE1-CB 3.25Å; E208-A259 WeakPolarHBondContact OE1-CB 3.41Å; E208-A259 PolarHBondContact OE1-N 3.17Å; E208-A259 WeakPolarHBondContact OE2-CB 3.37Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.48Å |
| 260 | A | 76.4 | Confident | 87.8 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P184 E208 A257 F262 | P184-A260 HydrophobicContact CB-CB 3.87Å; P184-A260 HydrophobicContact CG-CB 3.17Å; E208-A260 WeakPolarHBondContact OE2-CB 3.26Å; E208-A260 PolarHBondContact OE2-N 2.91Å; E208-A260 VanDerWaalsContact OE2-N 3.12Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A260-F262 PolarHBondContact O-N 3.38Å; A260-F262 VanDerWaalsContact O-N 3.16Å |
| 261 | R | 81.6 | Confident | 87 | Confident | 230 Ų | 230 | 57 Ų | 57 | 87% | 0.868 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 39.6 | 180 | -60.4 | -174 | 174.8 | -172.7 | -0.7 | 114.3 | A257 V258 A259 | A257-R261 WeakPolarHBondContact O-CA 3.49Å; A257-R261 PolarHBondContact O-N 2.78Å; V258-R261 PolarHBondContact O-N 3.27Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.48Å |
| 262 | F | 83.9 | Confident | 86 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.6 | -175.9 | -179.3 | -98 | 0 | 0 | 0 | 111.1 | P183 P184 V185 T256 A257 A260 A264 | P183-F262 HydrophobicContact CB-CZ 4.27Å; P184-F262 HydrophobicContact CG-CB 3.79Å; P184-F262 HydrophobicContact CG-CD1 4.39Å; P184-F262 HydrophobicContact CG-CG 4.19Å; V185-F262 HydrophobicContact CB-CD1 4.35Å; V185-F262 HydrophobicContact CB-CE1 4.14Å; V185-F262 HydrophobicContact CG2-CD1 4.5Å; T256-F262 CarbonylContact C-O 3.56Å; T256-F262 VanDerWaalsContact CA-O 3.27Å; T256-F262 WeakPolarHBondContact CA-O 3.41Å; A257-F262 HydrophobicContact CB-CB 4.46Å; A257-F262 PolarHBondContact N-O 2.71Å; A257-F262 PolarHBondContact O-N 3.12Å; A257-F262 VanDerWaalsContact O-N 3.12Å; A260-F262 PolarHBondContact O-N 3.38Å; A260-F262 VanDerWaalsContact O-N 3.16Å; F262-A264 HydrophobicContact CE1-CB 3.96Å |
| 263 | T | 89.9 | Confident | 84.7 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.2 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | I255 T256 | I255-T263 CarbonylContact O-C 3.56Å; I255-T263 VanDerWaalsContact O-CA 3.23Å; I255-T263 WeakPolarHBondContact O-CA 3.33Å; T256-T263 WeakPolarHBondContact CG2-OG1 3.44Å; T256-T263 PolarHBondContact OG1-OG1 3.37Å; T256-T263 VanDerWaalsContact OG1-OG1 3.08Å |
| 264 | A | 90.3 | Very high | 83.3 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V185 L188 S254 I255 F262 | V185-A264 HydrophobicContact CB-CB 4.33Å; V185-A264 HydrophobicContact CG1-CB 4.06Å; L188-A264 HydrophobicContact CD2-CB 4.11Å; S254-A264 CarbonylContact C-O 3.53Å; S254-A264 WeakPolarHBondContact CA-O 3.17Å; I255-A264 PolarHBondContact N-O 3Å; I255-A264 PolarHBondContact O-N 3.01Å; F262-A264 HydrophobicContact CE1-CB 3.96Å |
| 265 | T | 92.5 | Very high | 82.3 | Confident | 100 Ų | 100 | 60 Ų | 60 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.9 | 179.9 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | I253 | I253-T265 CarbonylContact O-C 3.58Å; I253-T265 VanDerWaalsContact O-CA 3.23Å; I253-T265 WeakPolarHBondContact O-CA 3.4Å |
| 266 | I | 92 | Very high | 81.3 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.1 | 173.9 | -170.5 | 168.8 | 0 | 0 | 0 | 110.1 | L188 L196 I253 | L188-I266 HydrophobicContact CD2-CB 3.93Å; L188-I266 HydrophobicContact CD2-CG2 3.87Å; L188-I266 HydrophobicContact CG-CB 4.3Å; L188-I266 HydrophobicContact CG-CD1 4.35Å; L188-I266 HydrophobicContact CG-CG2 4.2Å; L196-I266 HydrophobicContact CD2-CG2 3.69Å; I253-I266 HydrophobicContact CB-CG2 3.94Å; I253-I266 HydrophobicContact CD1-CG2 4.46Å; I253-I266 HydrophobicContact CG2-CG2 4.45Å; I253-I266 PolarHBondContact N-O 2.93Å; I253-I266 PolarHBondContact O-N 3.24Å |
| 267 | T | 90.9 | Very high | 80.3 | Confident | 113 Ų | 113 | 65 Ų | 65 | 69% | 0.693 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 140.3 | 174.4 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | Y251 | Y251-T267 CarbonylContact O-C 3.51Å; Y251-T267 VanDerWaalsContact O-CA 3.28Å; Y251-T267 WeakPolarHBondContact O-CA 3.47Å |
| 268 | A | 85.9 | Confident | 79.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L190 Y251 I253 | L190-A268 HydrophobicContact CD1-CB 3.62Å; L190-A268 HydrophobicContact CD2-CB 4.15Å; Y251-A268 PolarHBondContact N-O 2.85Å; Y251-A268 PolarHBondContact O-N 2.78Å; I253-A268 HydrophobicContact CD1-CB 4.19Å |
| 269 | N | 84.2 | Confident | 79.1 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.3 | 175.1 | -64.2 | -0.2 | 0 | 0 | 0 | 108.4 | N250 | N250-N269 VanDerWaalsContact OD1-CG 3.29Å; N250-N269 PolarHBondContact OD1-OD1 2.79Å |
| 270 | T | 80.3 | Confident | 79 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 136.3 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | L245 L246 P247 L248 T249 Y251 | L245-T270 HydrophobicContact CB-CG2 3.87Å; L245-T270 HydrophobicContact CD1-CG2 4.2Å; L246-T270 WeakPolarHBondContact O-CB 3.36Å; L246-T270 PolarHBondContact O-OG1 2.82Å; P247-T270 VanDerWaalsContact C-OG1 3.29Å; P247-T270 WeakPolarHBondContact CA-OG1 3.46Å; L248-T270 WeakPolarHBondContact CA-O 3.47Å; L248-T270 PolarHBondContact N-O 3.43Å; L248-T270 PolarHBondContact N-OG1 2.83Å; L248-T270 VanDerWaalsContact N-OG1 3.08Å; T249-T270 PolarHBondContact N-OG1 2.85Å; T249-T270 PolarHBondContact O-N 2.84Å; T249-T270 VanDerWaalsContact O-N 3.11Å; T249-T270 PolarHBondContact O-OG1 3Å; T249-T270 VanDerWaalsContact O-OG1 3.13Å; Y251-T270 HydrophobicContact CD2-CG2 4Å; Y251-T270 HydrophobicContact CE2-CG2 4.08Å |
| 271 | S | 71 | Confident | 79 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 168 | 177.5 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | T273 | S271-T273 PolarHBondContact O-N 3.34Š|
| 272 | L | 69.9 | Low | 79 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 120.2 | 174.2 | -172.8 | 68.2 | 0 | 0 | 0 | 110 | L248 W388 M391 R393 | L248-L272 HydrophobicContact CD1-CD1 4.11Å; L248-L272 HydrophobicContact CD2-CB 4.48Å; L272-W388 HydrophobicContact CD2-CB 4.4Å; L272-M391 HydrophobicContact CD2-CG 4.48Å; L272-R393 HydrophobicContact CD2-CG 4.44Å; L272-R393 PolarHBondContact O-NE 2.88Å |
| 273 | T | 65.5 | Low | 78.7 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 153 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | S271 | S271-T273 PolarHBondContact O-N 3.34Š|
| 274 | V | 65.8 | Low | 78.2 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 130.6 | 169.6 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | R393 C395 | V274-R393 HydrophobicContact CG2-CB 4.37Å; V274-R393 VanDerWaalsContact CG2-CD 3.49Å; V274-C395 HydrophobicContact CG1-CB 3.95Å |
| 275 | P | 72.2 | Confident | 77.6 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 147.7 | 176.5 | 22 | -29.4 | 0 | 0 | 0 | 110.8 | I304 V384 S386 C395 | P275-I304 HydrophobicContact CB-CG1 3.91Å; P275-V384 HydrophobicContact CB-CB 4.35Å; P275-V384 HydrophobicContact CB-CG1 3.7Å; P275-V384 HydrophobicContact CG-CB 4.16Å; P275-V384 HydrophobicContact CG-CG1 3.94Å; P275-V384 WeakPolarHBondContact CG-O 3.41Å; P275-S386 WeakPolarHBondContact CB-OG 3.25Å; P275-S386 WeakPolarHBondContact CD-OG 3.42Å; P275-S386 WeakPolarHBondContact CG-OG 3.46Å; P275-C395 HydrophobicContact CG-CB 4.37Å |
| 276 | P | 72.1 | Confident | 76.4 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 141.3 | 172.8 | 26.4 | -33 | 0 | 0 | 0 | 110.3 | ||
| 277 | A | 69.6 | Low | 75 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 278 | P | 72.9 | Confident | 73.5 | Confident | 23 Ų | 23 | 73 Ų | 73 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 137.9 | -180 | 30.7 | -29.9 | 0 | 0 | 0 | 108.6 | V280 L382 V384 V397 | P278-V280 PolarHBondContact O-N 3.16Å; P278-V280 VanDerWaalsContact O-N 3.08Å; P278-L382 HydrophobicContact CB-CD2 4.09Å; P278-L382 HydrophobicContact CG-CD2 3.55Å; P278-L382 HydrophobicContact CG-CG 4.17Å; P278-V384 HydrophobicContact CB-CG2 4.05Å; P278-V384 VanDerWaalsContact CD-CG2 3.43Å; P278-V384 HydrophobicContact CG-CG2 3.42Å; P278-V384 VanDerWaalsContact CG-CG2 3.42Å; P278-V397 HydrophobicContact CG-CG1 3.63Å |
| 279 | V | 74.1 | Confident | 72.7 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 87% | 0.867 | 43% | 0.428 | S | S | * | . | trans | -76 | 100.8 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 280 | V | 77.5 | Confident | 72.3 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | trans | -122.8 | 147.3 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | P278 L292 L382 V397 W399 | P278-V280 PolarHBondContact O-N 3.16Å; P278-V280 VanDerWaalsContact O-N 3.08Å; V280-L292 HydrophobicContact CG1-CD1 4.26Å; V280-L382 HydrophobicContact CG1-CD2 3.83Å; V280-V397 HydrophobicContact CG2-CB 4.23Å; V280-V397 HydrophobicContact CG2-CG1 3.52Å; V280-V397 HydrophobicContact CG2-CG2 3.61Å; V280-W399 HydrophobicContact CG2-CB 4.39Å | ||
| 281 | H | 76.9 | Confident | 72.4 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 70% | 0.704 | 41% | 0.413 | S | S | * | . | trans | -91.8 | 126.9 | 174.2 | -66.2 | 74 | 0 | 0 | 0 | 108.4 | T283 | H281-T283 PolarHBondContact O-N 2.98Š| ||
| 282 | Y | 80.9 | Confident | 72.8 | Confident | 104 Ų | 104 | 69 Ų | 69 | 41% | 0.408 | 39% | 0.39 | S | S | . | . | trans | -64.1 | 132.1 | 173.7 | 177.8 | -104.1 | 0 | 0 | 0 | 109.8 | E284 L398 W399 K401 | Y282-E284 HydrophobicContact CD1-CG 4.3Å; Y282-E284 HydrophobicContact CE1-CG 3.33Å; Y282-E284 VanDerWaalsContact CE1-OE1 3.28Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E284 WeakPolarHBondContact OH-CG 3.31Å; Y282-E284 PolarHBondContact OH-OE1 3.03Å; Y282-L398 HydrophobicContact CD2-CD2 4.13Å; Y282-L398 HydrophobicContact CD2-CG 4.08Å; Y282-L398 HydrophobicContact CE2-CD2 3.65Å; Y282-L398 HydrophobicContact CE2-CG 3.91Å; Y282-W399 VanDerWaalsContact CA-O 3.31Å; Y282-W399 WeakPolarHBondContact CA-O 3.05Å; Y282-K401 HydrophobicContact CE2-CB 4.37Å; Y282-K401 WeakPolarHBondContact OH-CB 3.18Å | ||
| 283 | T | 78.8 | Confident | 73.1 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132 | -178.7 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | H281 W399 A400 K401 | H281-T283 PolarHBondContact O-N 2.98Å; T283-W399 PolarHBondContact N-O 3.29Å; T283-W399 VanDerWaalsContact N-O 3.12Å; T283-A400 CarbonylContact O-C 3.43Å; T283-A400 WeakPolarHBondContact O-CA 3.42Å; T283-A400 WeakPolarHBondContact O-CB 3.03Å; T283-A400 WeakPolarHBondContact OG1-CB 3.06Å; T283-K401 PolarHBondContact O-N 3.36Å |
| 284 | E | 79.6 | Confident | 73.5 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.8 | 170.1 | -56.2 | -157.3 | 163.6 | 0 | 0 | 109.1 | Y282 K401 | Y282-E284 HydrophobicContact CD1-CG 4.3Å; Y282-E284 HydrophobicContact CE1-CG 3.33Å; Y282-E284 VanDerWaalsContact CE1-OE1 3.28Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E284 WeakPolarHBondContact OH-CG 3.31Å; Y282-E284 PolarHBondContact OH-OE1 3.03Å; E284-K401 CarbonylContact C-O 3.53Å; E284-K401 WeakPolarHBondContact CA-O 3.02Å; E284-K401 HydrophobicContact CG-CB 4.25Å |
| 285 | L | 76.3 | Confident | 73.6 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 23% | 0.225 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.4 | -178.6 | -65.7 | 92.3 | 0 | 0 | 0 | 111.1 | P288 P290 K401 V402 A403 | L285-P288 WeakPolarHBondContact CD2-O 3.46Å; L285-P290 HydrophobicContact CD1-CB 4.01Å; L285-P290 HydrophobicContact CD2-CB 4.36Å; L285-K401 PolarHBondContact N-O 2.03Å; L285-V402 CarbonylContact O-C 3.56Å; L285-V402 WeakPolarHBondContact O-CA 3.36Å; L285-A403 PolarHBondContact O-N 2.85Å |
| 286 | E | 68.4 | Low | 73.4 | Confident | 135 Ų | 135 | 83.6 Ų | 83.6 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -99.2 | 14.1 | 175.4 | -63.7 | -174.6 | 166.4 | 0 | 0 | 112.6 | ||
| 287 | T | 63.1 | Low | 72.8 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 63% | 0.632 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 109.1 | 140.8 | -163.6 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 288 | P | 58.4 | Low | 72.1 | Confident | 104 Ų | 104 | 85.3 Ų | 85.3 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | S | Bend | cis | -88.7 | 167.8 | 0.5 | 35.3 | -32.3 | 0 | 0 | 0 | 114 | L285 | L285-P288 WeakPolarHBondContact CD2-O 3.46Š|
| 289 | V | 68.8 | Low | 71.1 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 37% | 0.37 | 46% | 0.457 | S | S | . | . | trans | -40.2 | 131 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 113.9 | T357 V358 | V289-T357 HydrophobicContact CB-CG2 4.3Å; V289-T357 HydrophobicContact CG1-CG2 3.41Å; V289-T357 VanDerWaalsContact CG1-CG2 3.41Å; V289-V358 HydrophobicContact CG1-CB 4.36Å; V289-V358 WeakPolarHBondContact CG1-O 3.29Å | ||
| 290 | P | 77.3 | Confident | 70 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 5% | 0.045 | 45% | 0.453 | C | S | . | . | trans | -74.8 | 137.5 | -179.6 | 30.7 | -34.5 | 0 | 0 | 0 | 112 | L285 V358 I380 W399 A400 V402 | L285-P290 HydrophobicContact CD1-CB 4.01Å; L285-P290 HydrophobicContact CD2-CB 4.36Å; P290-V358 HydrophobicContact CG-CG2 4.44Å; P290-V358 PolarHBondContact O-N 2.77Å; P290-I380 HydrophobicContact CG-CD1 3.55Å; P290-W399 HydrophobicContact CB-CH2 3.67Å; P290-W399 HydrophobicContact CB-CZ2 3.75Å; P290-W399 HydrophobicContact CG-CH2 3.91Å; P290-W399 HydrophobicContact CG-CZ2 4.4Å; P290-W399 HydrophobicContact CG-CZ3 4.45Å; P290-A400 HydrophobicContact CG-CB 4.38Å; P290-V402 HydrophobicContact CG-CG2 3.87Å | ||
| 291 | T | 81.3 | Confident | 68.9 | Low | 72 Ų | 72 | 90.9 Ų | 90.9 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.9 | 170.3 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | N355 F356 T357 | T291-N355 HydrophobicContact CG2-CB 4.01Å; T291-F356 CarbonylContact C-O 3.54Å; T291-F356 VanDerWaalsContact CA-O 3.29Å; T291-F356 WeakPolarHBondContact CA-O 3.17Å; T291-T357 WeakPolarHBondContact CG2-OG1 3.35Å; T291-T357 PolarHBondContact OG1-OG1 2.92Å |
| 292 | L | 79.7 | Confident | 68 | Low | 5 Ų | 5 | 85.6 Ų | 85.6 | 3% | 0.026 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.1 | 173.5 | -177.9 | 63.1 | 0 | 0 | 0 | 109.4 | V280 L294 I309 N355 F356 L382 W399 | V280-L292 HydrophobicContact CG1-CD1 4.26Å; L292-L294 HydrophobicContact CD1-CD2 4.18Å; L292-L294 HydrophobicContact CD2-CD1 3.91Å; L292-L294 HydrophobicContact CD2-CD2 3.81Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD2 3.98Å; L292-L294 HydrophobicContact CG-CG 3.84Å; L292-I309 HydrophobicContact CD2-CG1 4.42Å; L292-N355 CarbonylContact O-C 3.52Å; L292-N355 WeakPolarHBondContact O-CA 2.94Å; L292-F356 HydrophobicContact CB-CB 4.36Å; L292-F356 HydrophobicContact CB-CD1 4.27Å; L292-F356 PolarHBondContact N-O 2.93Å; L292-F356 PolarHBondContact O-N 2.87Å; L292-L382 HydrophobicContact CD2-CD1 4.14Å; L292-L382 HydrophobicContact CD2-CD2 4.35Å; L292-W399 VanDerWaalsContact CA-CZ2 3.43Å; L292-W399 HydrophobicContact CB-CD2 4.32Å; L292-W399 HydrophobicContact CB-CE3 4.18Å; L292-W399 HydrophobicContact CB-CH2 3.43Å; L292-W399 VanDerWaalsContact CB-CH2 3.43Å; L292-W399 HydrophobicContact CB-CZ2 3.53Å; L292-W399 HydrophobicContact CB-CZ3 3.75Å; L292-W399 HydrophobicContact CD1-CD2 3.76Å; L292-W399 HydrophobicContact CD1-CE3 4.29Å; L292-W399 HydrophobicContact CD1-CG 4.06Å; L292-W399 HydrophobicContact CD1-CZ2 4.06Å; L292-W399 HydrophobicContact CD2-CE3 4.39Å; L292-W399 HydrophobicContact CG-CD2 4.44Å; L292-W399 HydrophobicContact CG-CH2 4.5Å; L292-W399 HydrophobicContact CG-CZ2 4.36Å; L292-W399 VanDerWaalsContact N-CH2 3.31Å; L292-W399 VanDerWaalsContact N-CZ2 3.34Å |
| 293 | R | 76.3 | Confident | 67.1 | Low | 165 Ų | 165 | 82.3 Ų | 82.3 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 105.7 | 169.3 | -66.4 | -173.5 | 56.8 | -162.4 | -5 | 109.4 | E353 V354 | R293-E353 IonicContact CZ-OE2 3.33Å; R293-E353 IonicContact NH2-OE1 2.79Å; R293-E353 IonicContact NH2-OE2 2.99Å; R293-E353 PolarHBondContact NH2-OE2 2.72Å; R293-V354 WeakPolarHBondContact CA-O 3.07Å |
| 294 | L | 73 | Confident | 66.9 | Low | 17 Ų | 17 | 80.7 Ų | 80.7 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.7 | 173.5 | -68.3 | 175.5 | 0 | 0 | 0 | 109.5 | L292 Y307 L345 E353 V354 L382 | L292-L294 HydrophobicContact CD1-CD2 4.18Å; L292-L294 HydrophobicContact CD2-CD1 3.91Å; L292-L294 HydrophobicContact CD2-CD2 3.81Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD2 3.98Å; L292-L294 HydrophobicContact CG-CG 3.84Å; L294-Y307 HydrophobicContact CD1-CD2 4.44Å; L294-Y307 HydrophobicContact CD1-CG 4.28Å; L294-L345 HydrophobicContact CD1-CD1 4Å; L294-E353 WeakPolarHBondContact O-CA 3.5Å; L294-V354 PolarHBondContact N-O 2.75Å; L294-V354 PolarHBondContact O-N 2.82Å; L294-L382 HydrophobicContact CD2-CD2 3.98Å |
| 295 | K | 69 | Low | 66.7 | Low | 158 Ų | 158 | 76.8 Ų | 76.8 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.8 | 169.5 | -171.7 | 171.9 | -177 | 169.8 | 0 | 109.5 | ||
| 296 | R | 67.5 | Low | 67 | Low | 119 Ų | 119 | 75.5 Ų | 75.5 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | trans | -66.8 | 136.7 | 176.7 | -171.2 | 179.7 | 170.8 | 174.4 | -1.1 | 110.6 | A352 | R296-A352 PolarHBondContact N-O 3.45Š| ||
| 297 | S | 59.3 | Low | 67.8 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | trans | -61.5 | 132.2 | 168.3 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | N299 D302 | S297-N299 PolarHBondContact O-N 3.1Å; S297-N299 VanDerWaalsContact O-N 3.12Å; S297-D302 WeakPolarHBondContact CB-OD2 3.49Å; S297-D302 PolarHBondContact OG-OD2 2.83Å | ||
| 298 | P | 54.1 | Low | 69 | Low | 133 Ų | 133 | 65.8 Ų | 65.8 | 86% | 0.864 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70 | -5.2 | -177 | 26.9 | -33.3 | 0 | 0 | 0 | 113.8 | ||
| 299 | N | 52.8 | Low | 70.4 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | trans | -87.8 | 116.9 | -177.7 | -166.4 | -5.3 | 0 | 0 | 0 | 111.2 | S297 L301 D302 | S297-N299 PolarHBondContact O-N 3.1Å; S297-N299 VanDerWaalsContact O-N 3.12Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.12Å; N299-D302 PolarHBondContact O-N 3.21Å | ||
| 300 | T | 50.7 | Low | 71.2 | Confident | 126 Ų | 126 | 58.2 Ų | 58.2 | 77% | 0.773 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6.2 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 301 | L | 54.2 | Low | 71.6 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.1 | 179.2 | -64.8 | 166.9 | 0 | 0 | 0 | 112.9 | L246 N299 | L246-L301 HydrophobicContact CD2-CD1 4.09Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.12Å |
| 302 | D | 58 | Low | 71.7 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | trans | -61.5 | 128.9 | -177.9 | -132.7 | -45.3 | 0 | 0 | 0 | 111.1 | S297 N299 I304 | S297-D302 WeakPolarHBondContact CB-OD2 3.49Å; S297-D302 PolarHBondContact OG-OD2 2.83Å; N299-D302 PolarHBondContact O-N 3.21Å; D302-I304 PolarHBondContact O-N 2.79Å; D302-I304 WeakPolarHBondContact OD1-CD1 3.04Å; D302-I304 WeakPolarHBondContact OD1-CG1 3.06Å | ||
| 303 | P | 63.6 | Low | 71.5 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | trans | -68.3 | -8.2 | 176.8 | 27.6 | -37 | 0 | 0 | 0 | 113.6 | S305 S386 | P303-S305 PolarHBondContact O-N 2.72Å; P303-S386 VanDerWaalsContact O-CA 3.32Å; P303-S386 WeakPolarHBondContact O-CA 3.34Å; P303-S386 WeakPolarHBondContact O-CB 3.38Å; P303-S386 PolarHBondContact O-OG 2.78Å; P303-S386 VanDerWaalsContact O-OG 3.04Å | ||
| 304 | I | 73.7 | Confident | 71.2 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | trans | -69 | 124.7 | -175.7 | -53.1 | 169.3 | 0 | 0 | 0 | 110.4 | P275 D302 Y307 V347 V384 | P275-I304 HydrophobicContact CB-CG1 3.91Å; D302-I304 PolarHBondContact O-N 2.79Å; D302-I304 WeakPolarHBondContact OD1-CD1 3.04Å; D302-I304 WeakPolarHBondContact OD1-CG1 3.06Å; I304-Y307 HydrophobicContact CG2-CE1 4.49Å; I304-Y307 HydrophobicContact CG2-CE2 4.4Å; I304-V347 HydrophobicContact CB-CG2 4.14Å; I304-V347 HydrophobicContact CG2-CG2 3.59Å; I304-V384 HydrophobicContact CB-CG1 4.19Å; I304-V384 HydrophobicContact CD1-CG1 3.8Å; I304-V384 HydrophobicContact CG1-CG1 3.7Å; I304-V384 HydrophobicContact CG2-CG1 3.43Å; I304-V384 VanDerWaalsContact CG2-CG1 3.43Å | ||
| 305 | S | 75.8 | Confident | 70.6 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | trans | -95.4 | -44.4 | 178 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | P303 V347 V385 R387 | P303-S305 PolarHBondContact O-N 2.72Å; S305-V347 PolarHBondContact O-N 2.84Å; S305-V385 WeakPolarHBondContact CB-O 3.14Å; S305-V385 PolarHBondContact N-O 2.81Å; S305-R387 PolarHBondContact OG-N 3.23Å; S305-R387 PolarHBondContact OG-O 3.09Å | ||
| 306 | F | 82 | Confident | 69.8 | Low | 16 Ų | 16 | 56.3 Ų | 56.3 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 159.5 | -179.5 | 50.6 | -91.3 | 0 | 0 | 0 | 112 | Q308 Q344 L345 V385 R387 | F306-Q308 HydrophobicContact CD2-CG 3.99Å; F306-Q308 HydrophobicContact CE2-CG 4.1Å; F306-Q344 HydrophobicContact CB-CG 4.38Å; F306-Q344 HydrophobicContact CD2-CG 3.91Å; F306-Q344 HydrophobicContact CG-CG 4.34Å; F306-L345 CarbonylContact C-O 3.57Å; F306-L345 VanDerWaalsContact CA-O 3.23Å; F306-L345 WeakPolarHBondContact CA-O 3.37Å; F306-L345 WeakPolarHBondContact CB-O 3.44Å; F306-V385 HydrophobicContact CD2-CB 3.91Å; F306-V385 HydrophobicContact CD2-CG2 4.11Å; F306-V385 HydrophobicContact CE1-CB 4.37Å; F306-V385 HydrophobicContact CE1-CG1 4.18Å; F306-V385 HydrophobicContact CE2-CB 3.5Å; F306-V385 HydrophobicContact CE2-CG1 3.81Å; F306-V385 HydrophobicContact CE2-CG2 3.61Å; F306-V385 HydrophobicContact CZ-CB 3.76Å; F306-V385 HydrophobicContact CZ-CG1 3.55Å; F306-V385 HydrophobicContact CZ-CG2 4.25Å; F306-V385 PolarHBondContact N-O 2.73Å; F306-V385 PolarHBondContact O-N 3.24Å; F306-R387 HydrophobicContact CE1-CB 3.92Å; F306-R387 HydrophobicContact CZ-CB 4.42Å |
| 307 | Y | 85.4 | Confident | 69 | Low | 22 Ų | 22 | 58.9 Ų | 58.9 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143.5 | 170.1 | -60.2 | -86.5 | 0 | 0 | 0 | 109.7 | L294 I304 Q344 L345 V347 L350 L382 R383 V384 | L294-Y307 HydrophobicContact CD1-CD2 4.44Å; L294-Y307 HydrophobicContact CD1-CG 4.28Å; I304-Y307 HydrophobicContact CG2-CE1 4.49Å; I304-Y307 HydrophobicContact CG2-CE2 4.4Å; Y307-Q344 CarbonylContact O-C 3.56Å; Y307-Q344 WeakPolarHBondContact O-CA 3.06Å; Y307-L345 PolarHBondContact N-O 3.28Å; Y307-L345 PolarHBondContact O-N 2.97Å; Y307-V347 HydrophobicContact CD2-CG2 4.23Å; Y307-V347 HydrophobicContact CE2-CG2 3.83Å; Y307-L350 HydrophobicContact CD2-CD1 3.65Å; Y307-L350 HydrophobicContact CE2-CD1 3.88Å; Y307-L382 HydrophobicContact CD1-CD1 4.35Å; Y307-R383 CarbonylContact C-O 3.48Å; Y307-R383 WeakPolarHBondContact CA-O 3.4Å; Y307-V384 HydrophobicContact CD1-CB 4.47Å; Y307-V384 HydrophobicContact CD1-CG1 4.35Å; Y307-V384 HydrophobicContact CD1-CG2 3.79Å; Y307-V384 HydrophobicContact CE1-CB 4.48Å; Y307-V384 HydrophobicContact CE1-CG1 4.05Å; Y307-V384 HydrophobicContact CE1-CG2 3.75Å |
| 308 | Q | 87.8 | Confident | 68.9 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.8 | 173 | -76.4 | 178.7 | -29.5 | 0 | 0 | 109 | F306 F310 L341 A343 Q344 R383 | F306-Q308 HydrophobicContact CD2-CG 3.99Å; F306-Q308 HydrophobicContact CE2-CG 4.1Å; Q308-F310 HydrophobicContact CB-CD2 4.44Å; Q308-F310 HydrophobicContact CB-CE2 3.81Å; Q308-L341 HydrophobicContact CB-CD1 3.78Å; Q308-L341 HydrophobicContact CG-CD1 4.05Å; Q308-A343 WeakPolarHBondContact CA-O 3.04Å; Q308-Q344 HydrophobicContact CG-CB 4.42Å; Q308-Q344 HydrophobicContact CG-CG 4.05Å; Q308-R383 HydrophobicContact CB-CB 4.17Å; Q308-R383 PolarHBondContact N-O 2.83Å; Q308-R383 PolarHBondContact O-N 3.29Å |
| 309 | I | 88.1 | Confident | 69.1 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.4 | 176.2 | -56.4 | 101.7 | 0 | 0 | 0 | 109.4 | L292 L341 T342 A343 L345 F356 I380 L382 | L292-I309 HydrophobicContact CD2-CG1 4.42Å; I309-L341 WeakPolarHBondContact O-CD1 3.43Å; I309-T342 HydrophobicContact CB-CG2 3.79Å; I309-T342 HydrophobicContact CG2-CG2 3.66Å; I309-T342 WeakPolarHBondContact O-CG2 3.44Å; I309-T342 PolarHBondContact O-N 2.81Å; I309-A343 HydrophobicContact CD1-CB 3.72Å; I309-A343 PolarHBondContact N-O 3.02Å; I309-L345 HydrophobicContact CD1-CD1 3.9Å; I309-L345 HydrophobicContact CD1-CG 4.26Å; I309-F356 HydrophobicContact CB-CE1 4.07Å; I309-F356 HydrophobicContact CB-CZ 4.42Å; I309-F356 HydrophobicContact CD1-CD1 4.12Å; I309-F356 HydrophobicContact CD1-CE1 4.07Å; I309-F356 HydrophobicContact CD1-CG 4.42Å; I309-F356 HydrophobicContact CD1-CZ 4.36Å; I309-F356 HydrophobicContact CG1-CD1 4.29Å; I309-F356 HydrophobicContact CG1-CE1 4.06Å; I309-F356 HydrophobicContact CG2-CE1 3.85Å; I309-F356 HydrophobicContact CG2-CZ 4.47Å; I309-I380 HydrophobicContact CG2-CG2 3.59Å; I309-L382 HydrophobicContact CD1-CD1 4.47Å; I309-L382 HydrophobicContact CG1-CD1 3.79Å |
| 310 | F | 86.4 | Confident | 69.9 | Low | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.9 | 177.9 | -69.9 | -93.3 | 0 | 0 | 0 | 110.4 | Q308 F320 A326 Y340 L341 I380 V381 R383 | Q308-F310 HydrophobicContact CB-CD2 4.44Å; Q308-F310 HydrophobicContact CB-CE2 3.81Å; F310-F320 HydrophobicContact CB-CE2 4.13Å; F310-F320 HydrophobicContact CB-CZ 4.3Å; F310-F320 HydrophobicContact CD1-CE2 4.07Å; F310-F320 HydrophobicContact CD1-CZ 4.37Å; F310-F320 HydrophobicContact CD2-CE2 4.32Å; F310-F320 AromaticContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CE2-CZ 4.25Å; F310-F320 AromaticContact CG-CE2 3.91Å; F310-F320 HydrophobicContact CG-CE2 3.91Å; F310-F320 AromaticContact CG-CZ 3.91Å; F310-F320 HydrophobicContact CG-CZ 3.91Å; F310-A326 HydrophobicContact CZ-CB 4.31Å; F310-Y340 WeakPolarHBondContact CA-O 3.3Å; F310-L341 HydrophobicContact CD1-CB 4.36Å; F310-L341 HydrophobicContact CD2-CD1 4.43Å; F310-L341 HydrophobicContact CE1-CB 4.07Å; F310-L341 HydrophobicContact CE1-CD1 4.29Å; F310-L341 HydrophobicContact CE2-CD1 4.14Å; F310-L341 HydrophobicContact CZ-CD1 4.07Å; F310-I380 WeakPolarHBondContact O-CA 3.3Å; F310-V381 HydrophobicContact CB-CB 4.38Å; F310-V381 PolarHBondContact N-O 3.12Å; F310-V381 PolarHBondContact O-N 3.23Å; F310-R383 HydrophobicContact CD2-CB 4.33Å; F310-R383 HydrophobicContact CE2-CB 4.07Å |
| 311 | V | 85 | Confident | 70.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.4 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | Y340 T342 V358 L372 Y378 | V311-Y340 HydrophobicContact CB-CD1 4.14Å; V311-Y340 HydrophobicContact CB-CE1 3.56Å; V311-Y340 HydrophobicContact CB-CE2 4.07Å; V311-Y340 HydrophobicContact CG1-CD1 4.48Å; V311-Y340 HydrophobicContact CG1-CE1 3.58Å; V311-Y340 HydrophobicContact CG2-CE1 4.49Å; V311-Y340 HydrophobicContact CG2-CE2 4.25Å; V311-Y340 PolarHBondContact N-O 2.88Å; V311-Y340 PolarHBondContact O-N 3.23Å; V311-Y340 VanDerWaalsContact O-N 3.14Å; V311-T342 HydrophobicContact CG2-CG2 3.76Å; V311-V358 HydrophobicContact CG2-CG1 3.75Å; V311-L372 HydrophobicContact CG1-CD2 3.89Å; V311-Y378 HydrophobicContact CG1-CD1 3.63Å; V311-Y378 HydrophobicContact CG1-CE1 4.4Å; V311-Y378 HydrophobicContact CG1-CG 4.2Å |
| 312 | L | 82.5 | Confident | 71.9 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106 | -176.1 | -55.5 | 174.2 | 0 | 0 | 0 | 108.7 | F320 E339 Y378 F379 V381 | L312-F320 HydrophobicContact CD1-CB 3.99Å; L312-F320 HydrophobicContact CD1-CD2 3.92Å; L312-F320 HydrophobicContact CD1-CG 4.09Å; L312-F320 HydrophobicContact CD2-CD2 3.78Å; L312-F320 HydrophobicContact CD2-CE2 4.25Å; L312-F320 HydrophobicContact CG-CD2 4.42Å; L312-E339 HydrophobicContact CD2-CB 3.32Å; L312-Y378 CarbonylContact O-C 3.54Å; L312-Y378 VanDerWaalsContact O-CA 3.26Å; L312-Y378 WeakPolarHBondContact O-CA 3.49Å; L312-F379 HydrophobicContact CB-CB 4.21Å; L312-F379 HydrophobicContact CD1-CB 4.37Å; L312-F379 PolarHBondContact N-O 3Å; L312-F379 PolarHBondContact O-N 3.36Å; L312-V381 HydrophobicContact CD1-CG2 3.64Å |
| 313 | P | 75.9 | Confident | 72.4 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130 | 169.8 | 27 | -28 | 0 | 0 | 0 | 109.5 | E315 P337 Y378 | P313-E315 PolarHBondContact O-N 3.04Å; P313-P337 HydrophobicContact CG-CB 4.44Å; P313-P337 HydrophobicContact CG-CG 3.98Å; P313-P337 WeakPolarHBondContact CG-O 3.17Å; P313-Y378 HydrophobicContact CB-CD1 3.98Å; P313-Y378 HydrophobicContact CB-CE1 3.81Å |
| 314 | V | 69.8 | Low | 72.6 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | trans | -96.8 | 95.7 | -178.3 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | T377 F379 | V314-T377 HydrophobicContact CB-CG2 4.4Å; V314-T377 HydrophobicContact CG2-CG2 4.25Å; V314-T377 PolarHBondContact N-O 2.77Å; V314-F379 HydrophobicContact CG1-CE2 4.44Å; V314-F379 HydrophobicContact CG2-CD2 3.18Å; V314-F379 HydrophobicContact CG2-CE2 3.41Å; V314-F379 VanDerWaalsContact CG2-CE2 3.41Å; V314-F379 HydrophobicContact CG2-CG 4.23Å | ||
| 315 | E | 60.4 | Low | 72.1 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -98.5 | -34.8 | 165.1 | -70.2 | 175.1 | 179.8 | 0 | 0 | 110.5 | P313 | P313-E315 PolarHBondContact O-N 3.04Š|
| 316 | E | 53.6 | Low | 71.1 | Confident | 168 Ų | 168 | 59 Ų | 59 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -145.4 | -179.4 | 170.6 | -73 | -171.8 | 162.5 | 0 | 0 | 111.1 | V318 | E316-V318 WeakPolarHBondContact O-CG2 3.44Å; E316-V318 PolarHBondContact O-N 3.4Å |
| 317 | L | 49.4 | Very low | 69.7 | Low | 174 Ų | 174 | 62.7 Ų | 62.7 | 91% | 0.911 | 36% | 0.358 | S | S | * | . | trans | -67 | 85.6 | -174.9 | -131 | 137 | 0 | 0 | 0 | 111.7 | ||||
| 318 | V | 58.3 | Low | 67.6 | Low | 80 Ų | 80 | 68.3 Ų | 68.3 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | trans | -79.7 | 120.1 | -179.2 | -151.8 | 0 | 0 | 0 | 0 | 110.7 | E316 F320 | E316-V318 WeakPolarHBondContact O-CG2 3.44Å; E316-V318 PolarHBondContact O-N 3.4Å; V318-F320 PolarHBondContact O-N 3.18Å | ||
| 319 | V | 58.3 | Low | 65.3 | Low | 131 Ų | 131 | 73 Ų | 73 | 79% | 0.794 | 42% | 0.415 | S | S | * | . | trans | -85.1 | 107.5 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 320 | F | 68.9 | Low | 63.1 | Low | 42 Ų | 42 | 79.4 Ų | 79.4 | 18% | 0.184 | 46% | 0.456 | C | S | . | . | trans | -80.4 | 116.4 | 178.1 | -179.3 | -101.6 | 0 | 0 | 0 | 111.4 | F310 L312 V318 C322 E339 V381 C396 | F310-F320 HydrophobicContact CB-CE2 4.13Å; F310-F320 HydrophobicContact CB-CZ 4.3Å; F310-F320 HydrophobicContact CD1-CE2 4.07Å; F310-F320 HydrophobicContact CD1-CZ 4.37Å; F310-F320 HydrophobicContact CD2-CE2 4.32Å; F310-F320 AromaticContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CE2-CZ 4.25Å; F310-F320 AromaticContact CG-CE2 3.91Å; F310-F320 HydrophobicContact CG-CE2 3.91Å; F310-F320 AromaticContact CG-CZ 3.91Å; F310-F320 HydrophobicContact CG-CZ 3.91Å; L312-F320 HydrophobicContact CD1-CB 3.99Å; L312-F320 HydrophobicContact CD1-CD2 3.92Å; L312-F320 HydrophobicContact CD1-CG 4.09Å; L312-F320 HydrophobicContact CD2-CD2 3.78Å; L312-F320 HydrophobicContact CD2-CE2 4.25Å; L312-F320 HydrophobicContact CG-CD2 4.42Å; V318-F320 PolarHBondContact O-N 3.18Å; F320-C322 HydrophobicContact CE1-CB 4.4Å; F320-C322 PolarHBondContact O-N 2.04Å; F320-E339 VanDerWaalsContact CD2-OE2 3.25Å; F320-E339 WeakPolarHBondContact CD2-OE2 3.23Å; F320-E339 WeakPolarHBondContact CE2-OE2 3.36Å; F320-V381 HydrophobicContact CD1-CG1 3.96Å; F320-V381 HydrophobicContact CD1-CG2 4.45Å; F320-V381 HydrophobicContact CE1-CB 4.31Å; F320-V381 HydrophobicContact CE1-CG1 3.58Å; F320-V381 HydrophobicContact CZ-CG1 4.14Å; F320-C396 HydrophobicContact CE1-CB 4.18Å | ||
| 321 | D | 70.8 | Confident | 60.8 | Low | 88 Ų | 88 | 83.4 Ų | 83.4 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | trans | -85.5 | 106.4 | 172.5 | -178.7 | 11.7 | 0 | 0 | 0 | 111.1 | S323 S324 | D321-S323 PolarHBondContact O-N 3.07Å; D321-S323 VanDerWaalsContact OD1-CB 3.3Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 3.49Å; D321-S323 PolarHBondContact OD1-OG 2.91Å; D321-S324 PolarHBondContact O-N 3.32Å; D321-S324 PolarHBondContact O-OG 2.78Å; D321-S324 VanDerWaalsContact O-OG 3.07Å | ||
| 322 | C | 76.4 | Confident | 58.5 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 19% | 0.189 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12 | 176.8 | -175 | 0 | 0 | 0 | 0 | 114.8 | F320 R383 S394 C396 | F320-C322 HydrophobicContact CE1-CB 4.4Å; F320-C322 PolarHBondContact O-N 2.04Å; C322-R383 PolarHBondContact O-NE 3.33Å; C322-R383 PolarHBondContact O-NH2 2.04Å; C322-S394 PolarHBondContact O-OG 2.94Å; C322-C396 WeakPolarHBondContact CA-SG 3.44Å; C322-C396 HydrophobicContact CB-CB 3.7Å; C322-C396 WeakPolarHBondContact CB-SG 3.29Å; C322-C396 VanDerWaalsContact SG-CA 3.6Å; C322-C396 WeakPolarHBondContact SG-CB 3.35Å; C322-C396 PolarHBondContact SG-N 3.5Å; C322-C396 CovalentContact SG-SG 2.02Å; C322-C396 PolarHBondContact SG-SG 2.8Å |
| 323 | S | 68.4 | Low | 56.3 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -14.7 | -177.7 | -48.4 | 0 | 0 | 0 | 0 | 113 | D321 R383 | D321-S323 PolarHBondContact O-N 3.07Å; D321-S323 VanDerWaalsContact OD1-CB 3.3Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 3.49Å; D321-S323 PolarHBondContact OD1-OG 2.91Å; S323-R383 PolarHBondContact O-NH2 2.95Å |
| 324 | S | 67.6 | Low | 54.3 | Low | 24 Ų | 24 | 102.1 Ų | 102.1 | 17% | 0.168 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -62.7 | 142 | -176.2 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | D321 R383 | D321-S324 PolarHBondContact O-N 3.32Å; D321-S324 PolarHBondContact O-OG 2.78Å; D321-S324 VanDerWaalsContact O-OG 3.07Å; S324-R383 VanDerWaalsContact O-CZ 3.28Å; S324-R383 PolarHBondContact O-NH1 2.86Å; S324-R383 PolarHBondContact O-NH2 3.34Å |
| 325 | P | 62.4 | Low | 52.9 | Low | 118 Ų | 118 | 108.8 Ų | 108.8 | 77% | 0.766 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139.4 | 171.3 | 26.5 | -30.3 | 0 | 0 | 0 | 109.6 | S327 | P325-S327 PolarHBondContact O-N 2.98Š|
| 326 | A | 56 | Low | 52.1 | Low | 26 Ų | 26 | 106.6 Ų | 106.6 | 22% | 0.215 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -61.4 | 123 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F310 L328 L341 | F310-A326 HydrophobicContact CZ-CB 4.31Å; A326-L328 PolarHBondContact O-N 2.86Å; A326-L341 HydrophobicContact CB-CD2 3.68Å |
| 327 | S | 52 | Low | 51.9 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 133.2 | 174.4 | 69.4 | 0 | 0 | 0 | 0 | 109.1 | P325 | P325-S327 PolarHBondContact O-N 2.98Š|
| 328 | L | 41.6 | Very low | 52.4 | Low | 140 Ų | 140 | 98 Ų | 98 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | trans | -99 | 0.2 | -176.7 | -89.8 | 160.3 | 0 | 0 | 0 | 113 | A326 P330 F367 | A326-L328 PolarHBondContact O-N 2.86Å; L328-P330 WeakPolarHBondContact O-CD 3.26Å; L328-F367 HydrophobicContact CD2-CE1 4.37Å; L328-F367 HydrophobicContact CD2-CZ 4.28Å | ||
| 329 | D | 38.7 | Very low | 53.2 | Low | 110 Ų | 110 | 97.5 Ų | 97.5 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | trans | -110.3 | 107.9 | -171.3 | -87.4 | -31.6 | 0 | 0 | 0 | 112.6 | S331 | D329-S331 PolarHBondContact O-N 3.05Š| ||
| 330 | P | 42.9 | Very low | 54.2 | Low | 135 Ų | 135 | 93.8 Ų | 93.8 | 88% | 0.877 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 1.7 | 163.9 | 0.9 | 15.2 | 0 | 0 | 0 | 112.7 | L328 | L328-P330 WeakPolarHBondContact O-CD 3.26Š|
| 331 | S | 37.7 | Very low | 54.9 | Low | 90 Ų | 90 | 92.7 Ų | 92.7 | 63% | 0.629 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -4.6 | -169.7 | 53.6 | 0 | 0 | 0 | 0 | 115.7 | D329 R333 | D329-S331 PolarHBondContact O-N 3.05Å; S331-R333 PolarHBondContact O-N 2.78Å; S331-R333 VanDerWaalsContact O-N 3.08Å |
| 332 | S | 35.9 | Very low | 55.6 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | trans | -74.8 | 101.9 | 168 | 59.7 | 0 | 0 | 0 | 0 | 108.5 | A334 | S332-A334 PolarHBondContact O-N 3.39Š| ||
| 333 | R | 37.3 | Very low | 56.1 | Low | 257 Ų | 257 | 87.1 Ų | 87.1 | 97% | 0.97 | 52% | 0.515 | S | S | * | . | trans | -60.2 | 83.3 | 163.7 | -71.1 | -179.5 | -172.8 | 171.4 | 1.7 | 108.8 | S331 | S331-R333 PolarHBondContact O-N 2.78Å; S331-R333 VanDerWaalsContact O-N 3.08Å | ||
| 334 | A | 34.4 | Very low | 57 | Low | 79 Ų | 79 | 85.4 Ų | 85.4 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | trans | -115 | 133.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | S332 | S332-A334 PolarHBondContact O-N 3.39Š| ||
| 335 | E | 40.8 | Very low | 57.9 | Low | 192 Ų | 192 | 85.1 Ų | 85.1 | 90% | 0.897 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -61.1 | 136.3 | -175.6 | -66.3 | 165.5 | 148 | 0 | 0 | 110.9 | ||
| 336 | S | 42.7 | Very low | 58.6 | Low | 88 Ų | 88 | 80.7 Ų | 80.7 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 60.9 | 141.5 | -178.2 | 71.9 | 0 | 0 | 0 | 0 | 117.7 | A338 | S336-A338 PolarHBondContact O-N 3.14Š|
| 337 | P | 50 | Low | 59.5 | Low | 79 Ų | 79 | 80.3 Ų | 80.3 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | trans | -80.1 | 82.8 | -170.9 | 32.2 | -31.1 | 0 | 0 | 0 | 110.7 | P313 E339 | P313-P337 HydrophobicContact CG-CB 4.44Å; P313-P337 HydrophobicContact CG-CG 3.98Å; P313-P337 WeakPolarHBondContact CG-O 3.17Å; P337-E339 PolarHBondContact O-N 3.38Å; P337-E339 VanDerWaalsContact O-N 3.11Å | ||
| 338 | A | 59.6 | Low | 60.3 | Low | 84 Ų | 84 | 85.1 Ų | 85.1 | 69% | 0.694 | 48% | 0.477 | S | S | * | . | trans | -64.1 | 108 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S336 | S336-A338 PolarHBondContact O-N 3.14Š| ||
| 339 | E | 74 | Confident | 61.3 | Low | 68 Ų | 68 | 83.5 Ų | 83.5 | 32% | 0.318 | 48% | 0.477 | S | S | . | . | trans | 45.5 | 120 | 169.8 | 64.6 | -179.8 | -169.5 | 0 | 0 | 118.6 | L312 F320 P337 | L312-E339 HydrophobicContact CD2-CB 3.32Å; F320-E339 VanDerWaalsContact CD2-OE2 3.25Å; F320-E339 WeakPolarHBondContact CD2-OE2 3.23Å; F320-E339 WeakPolarHBondContact CE2-OE2 3.36Å; P337-E339 PolarHBondContact O-N 3.38Å; P337-E339 VanDerWaalsContact O-N 3.11Å | ||
| 340 | Y | 79.9 | Confident | 62.8 | Low | 53 Ų | 53 | 79.4 Ų | 79.4 | 21% | 0.208 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.9 | 173.4 | 75 | -87.2 | 0 | 0 | 0 | 113.3 | F310 V311 T342 A370 | F310-Y340 WeakPolarHBondContact CA-O 3.3Å; V311-Y340 HydrophobicContact CB-CD1 4.14Å; V311-Y340 HydrophobicContact CB-CE1 3.56Å; V311-Y340 HydrophobicContact CB-CE2 4.07Å; V311-Y340 HydrophobicContact CG1-CD1 4.48Å; V311-Y340 HydrophobicContact CG1-CE1 3.58Å; V311-Y340 HydrophobicContact CG2-CE1 4.49Å; V311-Y340 HydrophobicContact CG2-CE2 4.25Å; V311-Y340 PolarHBondContact N-O 2.88Å; V311-Y340 PolarHBondContact O-N 3.23Å; V311-Y340 VanDerWaalsContact O-N 3.14Å; Y340-T342 PolarHBondContact O-N 2.81Å; Y340-A370 HydrophobicContact CE2-CB 4.04Å; Y340-A370 PolarHBondContact OH-O 2.87Å |
| 341 | L | 83.2 | Confident | 63.8 | Low | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.099 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114 | 173 | 177.9 | 58.6 | 0 | 0 | 0 | 108.7 | Q308 I309 F310 A326 A343 F367 | Q308-L341 HydrophobicContact CB-CD1 3.78Å; Q308-L341 HydrophobicContact CG-CD1 4.05Å; I309-L341 WeakPolarHBondContact O-CD1 3.43Å; F310-L341 HydrophobicContact CD1-CB 4.36Å; F310-L341 HydrophobicContact CD2-CD1 4.43Å; F310-L341 HydrophobicContact CE1-CB 4.07Å; F310-L341 HydrophobicContact CE1-CD1 4.29Å; F310-L341 HydrophobicContact CE2-CD1 4.14Å; F310-L341 HydrophobicContact CZ-CD1 4.07Å; A326-L341 HydrophobicContact CB-CD2 3.68Å; L341-A343 WeakPolarHBondContact CD1-O 3.38Å; L341-F367 HydrophobicContact CB-CD1 4.12Å; L341-F367 HydrophobicContact CB-CE1 4.41Å; L341-F367 HydrophobicContact CD2-CD1 3.65Å; L341-F367 HydrophobicContact CD2-CD2 4.06Å; L341-F367 HydrophobicContact CD2-CE1 3.33Å; L341-F367 HydrophobicContact CD2-CE2 3.77Å; L341-F367 HydrophobicContact CD2-CG 4.01Å; L341-F367 HydrophobicContact CD2-CZ 3.39Å; L341-F367 HydrophobicContact CG-CD1 3.72Å; L341-F367 HydrophobicContact CG-CD2 4.29Å; L341-F367 HydrophobicContact CG-CE1 3.96Å; L341-F367 HydrophobicContact CG-CE2 4.49Å; L341-F367 HydrophobicContact CG-CG 3.91Å; L341-F367 HydrophobicContact CG-CZ 4.34Å |
| 342 | T | 85.8 | Confident | 65.2 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -31 | -178.1 | 168.7 | 0 | 0 | 0 | 0 | 112.8 | I309 V311 Y340 F356 F367 N369 | I309-T342 HydrophobicContact CB-CG2 3.79Å; I309-T342 HydrophobicContact CG2-CG2 3.66Å; I309-T342 WeakPolarHBondContact O-CG2 3.44Å; I309-T342 PolarHBondContact O-N 2.81Å; V311-T342 HydrophobicContact CG2-CG2 3.76Å; Y340-T342 PolarHBondContact O-N 2.81Å; T342-F356 HydrophobicContact CG2-CE1 4.34Å; T342-F356 HydrophobicContact CG2-CZ 3.81Å; T342-F367 CarbonylContact O-C 3.59Å; T342-F367 WeakPolarHBondContact O-CB 3.39Å; T342-N369 VanDerWaalsContact OG1-CA 3.26Å; T342-N369 WeakPolarHBondContact OG1-CA 3.34Å; T342-N369 VanDerWaalsContact OG1-CB 3.22Å; T342-N369 WeakPolarHBondContact OG1-CB 3.19Å; T342-N369 PolarHBondContact OG1-OD1 2.74Å |
| 343 | A | 86.8 | Confident | 66.8 | Low | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 143.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q308 I309 L341 F356 Y364 | Q308-A343 WeakPolarHBondContact CA-O 3.04Å; I309-A343 HydrophobicContact CD1-CB 3.72Å; I309-A343 PolarHBondContact N-O 3.02Å; L341-A343 WeakPolarHBondContact CD1-O 3.38Å; A343-F356 HydrophobicContact CB-CD2 4.12Å; A343-F356 HydrophobicContact CB-CE2 3.39Å; A343-F356 HydrophobicContact CB-CZ 3.68Å; A343-Y364 VanDerWaalsContact CB-CB 3.48Å; A343-Y364 HydrophobicContact CB-CD2 4.4Å; A343-Y364 HydrophobicContact CB-CG 4.12Å |
| 344 | Q | 87.9 | Confident | 68.6 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119 | 165.9 | -173.6 | 174.9 | -70.7 | 0 | 0 | 110.2 | F306 Y307 Q308 Y364 G365 F367 | F306-Q344 HydrophobicContact CB-CG 4.38Å; F306-Q344 HydrophobicContact CD2-CG 3.91Å; F306-Q344 HydrophobicContact CG-CG 4.34Å; Y307-Q344 CarbonylContact O-C 3.56Å; Y307-Q344 WeakPolarHBondContact O-CA 3.06Å; Q308-Q344 HydrophobicContact CG-CB 4.42Å; Q308-Q344 HydrophobicContact CG-CG 4.05Å; Q344-Y364 PolarHBondContact N-O 3.31Å; Q344-G365 WeakPolarHBondContact O-CA 3.22Å; Q344-F367 HydrophobicContact CB-CD2 3.6Å; Q344-F367 HydrophobicContact CB-CE2 3.53Å; Q344-F367 HydrophobicContact CG-CE2 4.44Å |
| 345 | L | 85.6 | Confident | 71 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 9% | 0.089 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 109 | -173.7 | -55.4 | 176.6 | 0 | 0 | 0 | 110.3 | L294 F306 Y307 I309 L350 Y364 | L294-L345 HydrophobicContact CD1-CD1 4Å; F306-L345 CarbonylContact C-O 3.57Å; F306-L345 VanDerWaalsContact CA-O 3.23Å; F306-L345 WeakPolarHBondContact CA-O 3.37Å; F306-L345 WeakPolarHBondContact CB-O 3.44Å; Y307-L345 PolarHBondContact N-O 3.28Å; Y307-L345 PolarHBondContact O-N 2.97Å; I309-L345 HydrophobicContact CD1-CD1 3.9Å; I309-L345 HydrophobicContact CD1-CG 4.26Å; L345-L350 HydrophobicContact CB-CD1 4.03Å; L345-L350 HydrophobicContact CB-CD2 4.02Å; L345-L350 HydrophobicContact CB-CG 4.34Å; L345-L350 HydrophobicContact CD1-CD2 4.37Å; L345-Y364 HydrophobicContact CD2-CD1 4.11Å |
| 346 | G | 77 | Confident | 73.1 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q348 S349 L350 | G346-Q348 PolarHBondContact O-N 3.01Å; G346-S349 PolarHBondContact O-N 3.28Å; G346-S349 VanDerWaalsContact O-N 3.15Å; G346-S349 PolarHBondContact O-OG 2.95Å; G346-S349 VanDerWaalsContact O-OG 3.06Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.15Å; G346-L350 PolarHBondContact O-N 2.94Å |
| 347 | V | 75.8 | Confident | 75.2 | Confident | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31 | -177.8 | 175.9 | 0 | 0 | 0 | 0 | 113.2 | I304 S305 Y307 | I304-V347 HydrophobicContact CB-CG2 4.14Å; I304-V347 HydrophobicContact CG2-CG2 3.59Å; S305-V347 PolarHBondContact O-N 2.84Å; Y307-V347 HydrophobicContact CD2-CG2 4.23Å; Y307-V347 HydrophobicContact CE2-CG2 3.83Å |
| 348 | Q | 68.1 | Low | 76.9 | Confident | 196 Ų | 196 | 50.3 Ų | 50.3 | 92% | 0.916 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -27.5 | -179.7 | -65.1 | -176.2 | 3.3 | 0 | 0 | 113.4 | G346 | G346-Q348 PolarHBondContact O-N 3.01Š|
| 349 | S | 63.7 | Low | 78.1 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 73% | 0.734 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.4 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | G346 | G346-S349 PolarHBondContact O-N 3.28Å; G346-S349 VanDerWaalsContact O-N 3.15Å; G346-S349 PolarHBondContact O-OG 2.95Å; G346-S349 VanDerWaalsContact O-OG 3.06Å |
| 350 | L | 69.4 | Low | 78.6 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | trans | -79.8 | 131 | 178.7 | -75.8 | 166.4 | 0 | 0 | 0 | 111.4 | Y307 L345 G346 V354 | Y307-L350 HydrophobicContact CD2-CD1 3.65Å; Y307-L350 HydrophobicContact CE2-CD1 3.88Å; L345-L350 HydrophobicContact CB-CD1 4.03Å; L345-L350 HydrophobicContact CB-CD2 4.02Å; L345-L350 HydrophobicContact CB-CG 4.34Å; L345-L350 HydrophobicContact CD1-CD2 4.37Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.15Å; G346-L350 PolarHBondContact O-N 2.94Å; L350-V354 HydrophobicContact CB-CG2 4.24Å; L350-V354 HydrophobicContact CD2-CB 3.75Å; L350-V354 HydrophobicContact CD2-CG1 3.75Å; L350-V354 HydrophobicContact CD2-CG2 3.32Å; L350-V354 HydrophobicContact CG-CG2 4.39Å | ||
| 351 | G | 64.9 | Low | 78.8 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | trans | -68.3 | -177.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E353 | G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.38Å | ||
| 352 | A | 65.7 | Low | 78.9 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -63 | -35.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R296 | R296-A352 PolarHBondContact N-O 3.45Š|
| 353 | E | 70 | Confident | 78.9 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.7 | 170.2 | -67.7 | -167.9 | 179 | 0 | 0 | 109.1 | R293 L294 G351 | R293-E353 IonicContact CZ-OE2 3.33Å; R293-E353 IonicContact NH2-OE1 2.79Å; R293-E353 IonicContact NH2-OE2 2.99Å; R293-E353 PolarHBondContact NH2-OE2 2.72Å; L294-E353 WeakPolarHBondContact O-CA 3.5Å; G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.38Å |
| 354 | V | 76.4 | Confident | 78.7 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.9 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 110 | R293 L294 L350 | R293-V354 WeakPolarHBondContact CA-O 3.07Å; L294-V354 PolarHBondContact N-O 2.75Å; L294-V354 PolarHBondContact O-N 2.82Å; L350-V354 HydrophobicContact CB-CG2 4.24Å; L350-V354 HydrophobicContact CD2-CB 3.75Å; L350-V354 HydrophobicContact CD2-CG1 3.75Å; L350-V354 HydrophobicContact CD2-CG2 3.32Å; L350-V354 HydrophobicContact CG-CG2 4.39Å |
| 355 | N | 83.1 | Confident | 78.2 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.6 | 176.7 | -61.9 | -19.4 | 0 | 0 | 0 | 108 | T291 L292 | T291-N355 HydrophobicContact CG2-CB 4.01Å; L292-N355 CarbonylContact O-C 3.52Å; L292-N355 WeakPolarHBondContact O-CA 2.94Å |
| 356 | F | 84.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.6 | 179.1 | 168.8 | -98.5 | 0 | 0 | 0 | 109.4 | T291 L292 I309 T342 A343 V358 Y364 | T291-F356 CarbonylContact C-O 3.54Å; T291-F356 VanDerWaalsContact CA-O 3.29Å; T291-F356 WeakPolarHBondContact CA-O 3.17Å; L292-F356 HydrophobicContact CB-CB 4.36Å; L292-F356 HydrophobicContact CB-CD1 4.27Å; L292-F356 PolarHBondContact N-O 2.93Å; L292-F356 PolarHBondContact O-N 2.87Å; I309-F356 HydrophobicContact CB-CE1 4.07Å; I309-F356 HydrophobicContact CB-CZ 4.42Å; I309-F356 HydrophobicContact CD1-CD1 4.12Å; I309-F356 HydrophobicContact CD1-CE1 4.07Å; I309-F356 HydrophobicContact CD1-CG 4.42Å; I309-F356 HydrophobicContact CD1-CZ 4.36Å; I309-F356 HydrophobicContact CG1-CD1 4.29Å; I309-F356 HydrophobicContact CG1-CE1 4.06Å; I309-F356 HydrophobicContact CG2-CE1 3.85Å; I309-F356 HydrophobicContact CG2-CZ 4.47Å; T342-F356 HydrophobicContact CG2-CE1 4.34Å; T342-F356 HydrophobicContact CG2-CZ 3.81Å; A343-F356 HydrophobicContact CB-CD2 4.12Å; A343-F356 HydrophobicContact CB-CE2 3.39Å; A343-F356 HydrophobicContact CB-CZ 3.68Å; F356-V358 HydrophobicContact CD1-CG2 4.33Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; F356-V358 HydrophobicContact CZ-CG2 4.45Å; F356-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 AromaticContact CD2-CD2 3.93Å; F356-Y364 HydrophobicContact CD2-CD2 3.93Å; F356-Y364 AromaticContact CD2-CE1 3.98Å; F356-Y364 HydrophobicContact CD2-CE1 3.98Å; F356-Y364 AromaticContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CG 4.08Å; F356-Y364 AromaticContact CD2-CZ 3.8Å; F356-Y364 HydrophobicContact CE2-CD1 4.43Å; F356-Y364 AromaticContact CE2-CD2 3.5Å; F356-Y364 HydrophobicContact CE2-CD2 3.5Å; F356-Y364 AromaticContact CE2-CE2 3.58Å; F356-Y364 HydrophobicContact CE2-CE2 3.58Å; F356-Y364 AromaticContact CE2-CG 3.94Å; F356-Y364 HydrophobicContact CE2-CG 3.94Å |
| 357 | T | 86.8 | Confident | 78.2 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.258 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.7 | -175.9 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | V289 T291 D360 N369 | V289-T357 HydrophobicContact CB-CG2 4.3Å; V289-T357 HydrophobicContact CG1-CG2 3.41Å; V289-T357 VanDerWaalsContact CG1-CG2 3.41Å; T291-T357 WeakPolarHBondContact CG2-OG1 3.35Å; T291-T357 PolarHBondContact OG1-OG1 2.92Å; T357-D360 HydrophobicContact CG2-CB 4.31Å; T357-N369 PolarHBondContact O-ND2 3.47Å |
| 358 | V | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 122.9 | -172.4 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | V289 P290 V311 F356 L372 I380 W399 | V289-V358 HydrophobicContact CG1-CB 4.36Å; V289-V358 WeakPolarHBondContact CG1-O 3.29Å; P290-V358 HydrophobicContact CG-CG2 4.44Å; P290-V358 PolarHBondContact O-N 2.77Å; V311-V358 HydrophobicContact CG2-CG1 3.75Å; F356-V358 HydrophobicContact CD1-CG2 4.33Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; F356-V358 HydrophobicContact CZ-CG2 4.45Å; V358-L372 HydrophobicContact CG1-CD1 4.11Å; V358-L372 HydrophobicContact CG1-CD2 4.23Å; V358-L372 HydrophobicContact CG1-CG 4.37Å; V358-I380 HydrophobicContact CB-CD1 4.24Å; V358-I380 HydrophobicContact CG1-CD1 4.14Å; V358-I380 HydrophobicContact CG1-CG1 4.37Å; V358-I380 HydrophobicContact CG2-CD1 3.87Å; V358-I380 HydrophobicContact CG2-CG1 4.44Å; V358-I380 HydrophobicContact CG2-CG2 4.22Å; V358-W399 HydrophobicContact CG2-CH2 4.01Å; V358-W399 HydrophobicContact CG2-CZ3 3.51Å |
| 359 | G | 83.7 | Confident | 79.4 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 28.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | G361 N369 A370 P371 | G359-G361 VanDerWaalsContact C-N 3.25Å; G359-G361 PolarHBondContact O-N 3.28Å; G359-N369 WeakPolarHBondContact CA-OD1 3.43Å; G359-N369 PolarHBondContact N-ND2 3Å; G359-N369 VanDerWaalsContact N-ND2 3.12Å; G359-N369 PolarHBondContact N-OD1 2.98Å; G359-A370 VanDerWaalsContact CA-O 3.24Å; G359-A370 WeakPolarHBondContact CA-O 3.39Å; G359-P371 WeakPolarHBondContact O-CA 3.4Å |
| 360 | D | 85 | Confident | 80.3 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -79 | -3 | 175.1 | 67.1 | 2 | 0 | 0 | 0 | 113.7 | T357 V362 Y364 N369 | T357-D360 HydrophobicContact CG2-CB 4.31Å; D360-V362 HydrophobicContact CB-CG2 4.39Å; D360-V362 PolarHBondContact O-N 3.27Å; D360-V362 WeakPolarHBondContact OD1-CB 3.1Å; D360-V362 PolarHBondContact OD1-N 3.03Å; D360-Y364 WeakPolarHBondContact OD2-CE2 3.07Å; D360-Y364 PolarHBondContact OD2-OH 2.02Å; D360-N369 PolarHBondContact N-ND2 3.14Å; D360-N369 PolarHBondContact OD1-ND2 3.44Å |
| 361 | G | 83 | Confident | 81 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | trans | 74.9 | 6.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G359 Y368 N369 | G359-G361 VanDerWaalsContact C-N 3.25Å; G359-G361 PolarHBondContact O-N 3.28Å; G361-Y368 VanDerWaalsContact O-CE2 3.28Å; G361-Y368 WeakPolarHBondContact O-CE2 3.25Å; G361-N369 WeakPolarHBondContact CA-O 3.32Å; G361-N369 PolarHBondContact N-O 2.72Å | ||
| 362 | V | 85.9 | Confident | 81.7 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | trans | -90.4 | 153.3 | -177.5 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | D360 Y364 N369 | D360-V362 HydrophobicContact CB-CG2 4.39Å; D360-V362 PolarHBondContact O-N 3.27Å; D360-V362 WeakPolarHBondContact OD1-CB 3.1Å; D360-V362 PolarHBondContact OD1-N 3.03Å; V362-Y364 HydrophobicContact CB-CD2 4.31Å; V362-Y364 HydrophobicContact CB-CE2 3.66Å; V362-Y364 HydrophobicContact CG1-CD2 4.38Å; V362-Y364 HydrophobicContact CG1-CE2 3.92Å; V362-N369 WeakPolarHBondContact O-CB 3.49Å; V362-N369 PolarHBondContact O-N 3.41Å; V362-N369 VanDerWaalsContact O-N 3.08Å | ||
| 363 | L | 84.9 | Confident | 82.3 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 59% | 0.586 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.3 | -178.3 | -142.8 | 149 | 0 | 0 | 0 | 110.1 | G366 F367 | L363-G366 VanDerWaalsContact CD2-CA 3.42Å; L363-F367 CarbonylContact C-O 3.6Å; L363-F367 VanDerWaalsContact CA-O 3.32Å; L363-F367 WeakPolarHBondContact CA-O 3.06Å |
| 364 | Y | 83.4 | Confident | 82.3 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.8 | -176.2 | -69.2 | -85.2 | 0 | 0 | 0 | 111.1 | A343 Q344 L345 F356 D360 V362 G366 F367 N369 | A343-Y364 VanDerWaalsContact CB-CB 3.48Å; A343-Y364 HydrophobicContact CB-CD2 4.4Å; A343-Y364 HydrophobicContact CB-CG 4.12Å; Q344-Y364 PolarHBondContact N-O 3.31Å; L345-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 AromaticContact CD2-CD2 3.93Å; F356-Y364 HydrophobicContact CD2-CD2 3.93Å; F356-Y364 AromaticContact CD2-CE1 3.98Å; F356-Y364 HydrophobicContact CD2-CE1 3.98Å; F356-Y364 AromaticContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CG 4.08Å; F356-Y364 AromaticContact CD2-CZ 3.8Å; F356-Y364 HydrophobicContact CE2-CD1 4.43Å; F356-Y364 AromaticContact CE2-CD2 3.5Å; F356-Y364 HydrophobicContact CE2-CD2 3.5Å; F356-Y364 AromaticContact CE2-CE2 3.58Å; F356-Y364 HydrophobicContact CE2-CE2 3.58Å; F356-Y364 AromaticContact CE2-CG 3.94Å; F356-Y364 HydrophobicContact CE2-CG 3.94Å; D360-Y364 WeakPolarHBondContact OD2-CE2 3.07Å; D360-Y364 PolarHBondContact OD2-OH 2.02Å; V362-Y364 HydrophobicContact CB-CD2 4.31Å; V362-Y364 HydrophobicContact CB-CE2 3.66Å; V362-Y364 HydrophobicContact CG1-CD2 4.38Å; V362-Y364 HydrophobicContact CG1-CE2 3.92Å; Y364-G366 PolarHBondContact O-N 2.97Å; Y364-F367 PolarHBondContact N-O 3Å; Y364-F367 PolarHBondContact O-N 2.78Å; Y364-N369 HydrophobicContact CD2-CB 4.22Å; Y364-N369 HydrophobicContact CE2-CB 4.39Å |
| 365 | G | 76.6 | Confident | 82 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 30.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q344 | Q344-G365 WeakPolarHBondContact O-CA 3.22Š|
| 366 | G | 79.9 | Confident | 81.7 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -5.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L363 Y364 | L363-G366 VanDerWaalsContact CD2-CA 3.42Å; Y364-G366 PolarHBondContact O-N 2.97Å |
| 367 | F | 83.5 | Confident | 81.4 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.8 | -178.3 | -61.5 | -83.2 | 0 | 0 | 0 | 111.7 | L328 L341 T342 Q344 L363 Y364 | L328-F367 HydrophobicContact CD2-CE1 4.37Å; L328-F367 HydrophobicContact CD2-CZ 4.28Å; L341-F367 HydrophobicContact CB-CD1 4.12Å; L341-F367 HydrophobicContact CB-CE1 4.41Å; L341-F367 HydrophobicContact CD2-CD1 3.65Å; L341-F367 HydrophobicContact CD2-CD2 4.06Å; L341-F367 HydrophobicContact CD2-CE1 3.33Å; L341-F367 HydrophobicContact CD2-CE2 3.77Å; L341-F367 HydrophobicContact CD2-CG 4.01Å; L341-F367 HydrophobicContact CD2-CZ 3.39Å; L341-F367 HydrophobicContact CG-CD1 3.72Å; L341-F367 HydrophobicContact CG-CD2 4.29Å; L341-F367 HydrophobicContact CG-CE1 3.96Å; L341-F367 HydrophobicContact CG-CE2 4.49Å; L341-F367 HydrophobicContact CG-CG 3.91Å; L341-F367 HydrophobicContact CG-CZ 4.34Å; T342-F367 CarbonylContact O-C 3.59Å; T342-F367 WeakPolarHBondContact O-CB 3.39Å; Q344-F367 HydrophobicContact CB-CD2 3.6Å; Q344-F367 HydrophobicContact CB-CE2 3.53Å; Q344-F367 HydrophobicContact CG-CE2 4.44Å; L363-F367 CarbonylContact C-O 3.6Å; L363-F367 VanDerWaalsContact CA-O 3.32Å; L363-F367 WeakPolarHBondContact CA-O 3.06Å; Y364-F367 PolarHBondContact N-O 3Å; Y364-F367 PolarHBondContact O-N 2.78Å |
| 368 | Y | 82.6 | Confident | 81.3 | Confident | 131 Ų | 131 | 54.9 Ų | 54.9 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.8 | -178.2 | 178.3 | -111.5 | 0 | 0 | 0 | 111.2 | G361 A370 | G361-Y368 VanDerWaalsContact O-CE2 3.28Å; G361-Y368 WeakPolarHBondContact O-CE2 3.25Å; Y368-A370 HydrophobicContact CD1-CB 4.11Å; Y368-A370 HydrophobicContact CE1-CB 3.98Å; Y368-A370 PolarHBondContact O-N 2.89Å; Y368-A370 VanDerWaalsContact O-N 3.09Å |
| 369 | N | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -84.3 | 80.5 | 179.8 | -170.7 | 14.5 | 0 | 0 | 0 | 111.9 | T342 T357 G359 D360 G361 V362 Y364 | T342-N369 VanDerWaalsContact OG1-CA 3.26Å; T342-N369 WeakPolarHBondContact OG1-CA 3.34Å; T342-N369 VanDerWaalsContact OG1-CB 3.22Å; T342-N369 WeakPolarHBondContact OG1-CB 3.19Å; T342-N369 PolarHBondContact OG1-OD1 2.74Å; T357-N369 PolarHBondContact O-ND2 3.47Å; G359-N369 WeakPolarHBondContact CA-OD1 3.43Å; G359-N369 PolarHBondContact N-ND2 3Å; G359-N369 VanDerWaalsContact N-ND2 3.12Å; G359-N369 PolarHBondContact N-OD1 2.98Å; D360-N369 PolarHBondContact N-ND2 3.14Å; D360-N369 PolarHBondContact OD1-ND2 3.44Å; G361-N369 WeakPolarHBondContact CA-O 3.32Å; G361-N369 PolarHBondContact N-O 2.72Å; V362-N369 WeakPolarHBondContact O-CB 3.49Å; V362-N369 PolarHBondContact O-N 3.41Å; V362-N369 VanDerWaalsContact O-N 3.08Å; Y364-N369 HydrophobicContact CD2-CB 4.22Å; Y364-N369 HydrophobicContact CE2-CB 4.39Å | ||
| 370 | A | 82.4 | Confident | 81.4 | Confident | 29 Ų | 29 | 57 Ų | 57 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -59 | 133.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y340 G359 Y368 L372 | Y340-A370 HydrophobicContact CE2-CB 4.04Å; Y340-A370 PolarHBondContact OH-O 2.87Å; G359-A370 VanDerWaalsContact CA-O 3.24Å; G359-A370 WeakPolarHBondContact CA-O 3.39Å; Y368-A370 HydrophobicContact CD1-CB 4.11Å; Y368-A370 HydrophobicContact CE1-CB 3.98Å; Y368-A370 PolarHBondContact O-N 2.89Å; Y368-A370 VanDerWaalsContact O-N 3.09Å; A370-L372 PolarHBondContact O-N 3.44Å |
| 371 | P | 83.6 | Confident | 81.4 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 136.1 | 175.2 | -26.3 | 34.7 | 0 | 0 | 0 | 113 | G359 | G359-P371 WeakPolarHBondContact O-CA 3.4Š|
| 372 | L | 80.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 132.6 | 178 | -59.7 | 178.6 | 0 | 0 | 0 | 110.4 | V311 V358 A370 Y378 V402 | V311-L372 HydrophobicContact CG1-CD2 3.89Å; V358-L372 HydrophobicContact CG1-CD1 4.11Å; V358-L372 HydrophobicContact CG1-CD2 4.23Å; V358-L372 HydrophobicContact CG1-CG 4.37Å; A370-L372 PolarHBondContact O-N 3.44Å; L372-Y378 HydrophobicContact CB-CD2 4.27Å; L372-Y378 HydrophobicContact CB-CE2 3.94Å; L372-Y378 HydrophobicContact CD1-CD2 4.45Å; L372-Y378 HydrophobicContact CD2-CD1 4.01Å; L372-Y378 HydrophobicContact CD2-CD2 3.95Å; L372-Y378 HydrophobicContact CD2-CE1 4.14Å; L372-Y378 HydrophobicContact CD2-CE2 4.09Å; L372-Y378 HydrophobicContact CD2-CG 3.9Å; L372-Y378 HydrophobicContact CG-CD2 4.45Å; L372-V402 HydrophobicContact CD1-CB 4.42Å; L372-V402 HydrophobicContact CD1-CG1 4.18Å; L372-V402 HydrophobicContact CD1-CG2 4.31Å |
| 373 | Q | 76.8 | Confident | 81.7 | Confident | 133 Ų | 133 | 50.8 Ų | 50.8 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 138.1 | 179.5 | -61.1 | -176.6 | -4.2 | 0 | 0 | 111.1 | G375 N376 Y378 | Q373-G375 PolarHBondContact O-N 3.27Å; Q373-N376 PolarHBondContact OE1-ND2 2.86Å; Q373-Y378 WeakPolarHBondContact CB-OH 3.33Å; Q373-Y378 PolarHBondContact N-OH 2.73Å |
| 374 | S | 69.9 | Low | 81.7 | Confident | 124 Ų | 124 | 45.5 Ų | 45.5 | 87% | 0.867 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 129.2 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 375 | G | 71.1 | Confident | 81.5 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -10.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q373 | Q373-G375 PolarHBondContact O-N 3.27Š|
| 376 | N | 76.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | trans | -95.1 | 150.7 | 175.4 | -67.6 | -10.7 | 0 | 0 | 0 | 111.1 | Q373 Y378 G404 | Q373-N376 PolarHBondContact OE1-ND2 2.86Å; N376-Y378 HydrophobicContact CB-CD2 4.43Å; N376-Y378 HydrophobicContact CB-CE2 3.61Å; N376-G404 WeakPolarHBondContact O-CA 3.46Å; N376-G404 PolarHBondContact O-N 2.59Å | ||
| 377 | T | 78.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.1 | 172.6 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | V314 K401 V402 | V314-T377 HydrophobicContact CB-CG2 4.4Å; V314-T377 HydrophobicContact CG2-CG2 4.25Å; V314-T377 PolarHBondContact N-O 2.77Å; T377-K401 HydrophobicContact CG2-CG 4.15Å; T377-V402 CarbonylContact C-O 3.43Å; T377-V402 VanDerWaalsContact CA-O 3.3Å; T377-V402 WeakPolarHBondContact CA-O 3.49Å |
| 378 | Y | 84.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.5 | -179.6 | -60.1 | -86.6 | 0 | 0 | 0 | 111.1 | V311 L312 P313 L372 Q373 N376 K401 V402 | V311-Y378 HydrophobicContact CG1-CD1 3.63Å; V311-Y378 HydrophobicContact CG1-CE1 4.4Å; V311-Y378 HydrophobicContact CG1-CG 4.2Å; L312-Y378 CarbonylContact O-C 3.54Å; L312-Y378 VanDerWaalsContact O-CA 3.26Å; L312-Y378 WeakPolarHBondContact O-CA 3.49Å; P313-Y378 HydrophobicContact CB-CD1 3.98Å; P313-Y378 HydrophobicContact CB-CE1 3.81Å; L372-Y378 HydrophobicContact CB-CD2 4.27Å; L372-Y378 HydrophobicContact CB-CE2 3.94Å; L372-Y378 HydrophobicContact CD1-CD2 4.45Å; L372-Y378 HydrophobicContact CD2-CD1 4.01Å; L372-Y378 HydrophobicContact CD2-CD2 3.95Å; L372-Y378 HydrophobicContact CD2-CE1 4.14Å; L372-Y378 HydrophobicContact CD2-CE2 4.09Å; L372-Y378 HydrophobicContact CD2-CG 3.9Å; L372-Y378 HydrophobicContact CG-CD2 4.45Å; Q373-Y378 WeakPolarHBondContact CB-OH 3.33Å; Q373-Y378 PolarHBondContact N-OH 2.73Å; N376-Y378 HydrophobicContact CB-CD2 4.43Å; N376-Y378 HydrophobicContact CB-CE2 3.61Å; Y378-K401 CarbonylContact O-C 3.52Å; Y378-K401 WeakPolarHBondContact O-CA 3.26Å; Y378-V402 PolarHBondContact N-O 2.92Å; Y378-V402 PolarHBondContact O-N 2.82Å |
| 379 | F | 85.4 | Confident | 79.8 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.3 | 162.7 | -72.7 | -69.1 | 0 | 0 | 0 | 110.1 | L312 V314 L398 K401 | L312-F379 HydrophobicContact CB-CB 4.21Å; L312-F379 HydrophobicContact CD1-CB 4.37Å; L312-F379 PolarHBondContact N-O 3Å; L312-F379 PolarHBondContact O-N 3.36Å; V314-F379 HydrophobicContact CG1-CE2 4.44Å; V314-F379 HydrophobicContact CG2-CD2 3.18Å; V314-F379 HydrophobicContact CG2-CE2 3.41Å; V314-F379 VanDerWaalsContact CG2-CE2 3.41Å; V314-F379 HydrophobicContact CG2-CG 4.23Å; F379-L398 HydrophobicContact CB-CD1 3.96Å; F379-L398 HydrophobicContact CD1-CD1 3.84Å; F379-L398 HydrophobicContact CD1-CD2 4.22Å; F379-L398 HydrophobicContact CE1-CD2 4.39Å; F379-L398 HydrophobicContact CG-CD1 4.22Å; F379-K401 HydrophobicContact CD1-CB 3.84Å; F379-K401 HydrophobicContact CD1-CD 4.49Å; F379-K401 HydrophobicContact CD1-CG 3.93Å; F379-K401 HydrophobicContact CE1-CB 3.76Å; F379-K401 HydrophobicContact CE1-CD 3.67Å; F379-K401 HydrophobicContact CE1-CG 3.59Å; F379-K401 HydrophobicContact CZ-CD 4.02Å; F379-K401 HydrophobicContact CZ-CG 4.19Å |
| 380 | I | 87.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.8 | 179 | -54.4 | 154.9 | 0 | 0 | 0 | 108.2 | P290 I309 F310 V358 W399 A400 V402 | P290-I380 HydrophobicContact CG-CD1 3.55Å; I309-I380 HydrophobicContact CG2-CG2 3.59Å; F310-I380 WeakPolarHBondContact O-CA 3.3Å; V358-I380 HydrophobicContact CB-CD1 4.24Å; V358-I380 HydrophobicContact CG1-CD1 4.14Å; V358-I380 HydrophobicContact CG1-CG1 4.37Å; V358-I380 HydrophobicContact CG2-CD1 3.87Å; V358-I380 HydrophobicContact CG2-CG1 4.44Å; V358-I380 HydrophobicContact CG2-CG2 4.22Å; I380-W399 HydrophobicContact CB-CE3 4.06Å; I380-W399 HydrophobicContact CB-CZ3 4.48Å; I380-W399 HydrophobicContact CD1-CE3 4.5Å; I380-W399 HydrophobicContact CD1-CZ3 4.23Å; I380-W399 HydrophobicContact CG2-CE3 3.44Å; I380-W399 VanDerWaalsContact CG2-CE3 3.44Å; I380-W399 HydrophobicContact CG2-CZ3 3.77Å; I380-W399 PolarHBondContact O-N 2.64Å; I380-A400 HydrophobicContact CB-CB 4.4Å; I380-A400 HydrophobicContact CD1-CB 3.87Å; I380-A400 PolarHBondContact N-O 2.73Å; I380-A400 PolarHBondContact O-N 3.17Å; I380-V402 HydrophobicContact CD1-CG2 3.77Å |
| 381 | V | 86.4 | Confident | 77.4 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.3 | -178.5 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | F310 L312 F320 C396 L398 | F310-V381 HydrophobicContact CB-CB 4.38Å; F310-V381 PolarHBondContact N-O 3.12Å; F310-V381 PolarHBondContact O-N 3.23Å; L312-V381 HydrophobicContact CD1-CG2 3.64Å; F320-V381 HydrophobicContact CD1-CG1 3.96Å; F320-V381 HydrophobicContact CD1-CG2 4.45Å; F320-V381 HydrophobicContact CE1-CB 4.31Å; F320-V381 HydrophobicContact CE1-CG1 3.58Å; F320-V381 HydrophobicContact CZ-CG1 4.14Å; V381-C396 HydrophobicContact CG1-CB 3.87Å; V381-L398 HydrophobicContact CG2-CD1 3.99Å |
| 382 | L | 87.5 | Confident | 77 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.2 | 173.3 | 178.2 | 66.8 | 0 | 0 | 0 | 109 | P278 V280 L292 L294 Y307 I309 C396 V397 | P278-L382 HydrophobicContact CB-CD2 4.09Å; P278-L382 HydrophobicContact CG-CD2 3.55Å; P278-L382 HydrophobicContact CG-CG 4.17Å; V280-L382 HydrophobicContact CG1-CD2 3.83Å; L292-L382 HydrophobicContact CD2-CD1 4.14Å; L292-L382 HydrophobicContact CD2-CD2 4.35Å; L294-L382 HydrophobicContact CD2-CD2 3.98Å; Y307-L382 HydrophobicContact CD1-CD1 4.35Å; I309-L382 HydrophobicContact CD1-CD1 4.47Å; I309-L382 HydrophobicContact CG1-CD1 3.79Å; L382-C396 CarbonylContact O-C 3.56Å; L382-C396 VanDerWaalsContact O-CA 3.3Å; L382-C396 WeakPolarHBondContact O-CA 3.31Å; L382-V397 HydrophobicContact CB-CG1 3.92Å; L382-V397 HydrophobicContact CD2-CG1 4.3Å; L382-V397 HydrophobicContact CG-CG1 4.43Å; L382-V397 PolarHBondContact N-O 2.82Å; L382-V397 PolarHBondContact O-N 3.39Å |
| 383 | R | 86 | Confident | 76.9 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.2 | 175.8 | -179.9 | 178.3 | -169.8 | -165.8 | 10.2 | 110.4 | Y307 Q308 F310 C322 S323 S324 V385 S394 C395 C396 | Y307-R383 CarbonylContact C-O 3.48Å; Y307-R383 WeakPolarHBondContact CA-O 3.4Å; Q308-R383 HydrophobicContact CB-CB 4.17Å; Q308-R383 PolarHBondContact N-O 2.83Å; Q308-R383 PolarHBondContact O-N 3.29Å; F310-R383 HydrophobicContact CD2-CB 4.33Å; F310-R383 HydrophobicContact CE2-CB 4.07Å; C322-R383 PolarHBondContact O-NE 3.33Å; C322-R383 PolarHBondContact O-NH2 2.04Å; S323-R383 PolarHBondContact O-NH2 2.95Å; S324-R383 VanDerWaalsContact O-CZ 3.28Å; S324-R383 PolarHBondContact O-NH1 2.86Å; S324-R383 PolarHBondContact O-NH2 3.34Å; R383-V385 HydrophobicContact CG-CG2 3.93Å; R383-S394 PolarHBondContact NE-OG 3.49Å; R383-S394 PolarHBondContact NH2-OG 3.29Å; R383-C395 CarbonylContact C-O 3.57Å; R383-C395 WeakPolarHBondContact CA-O 3.43Å; R383-C396 VanDerWaalsContact CG-SG 3.54Å |
| 384 | V | 84.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.3 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | P275 P278 I304 Y307 S394 C395 | P275-V384 HydrophobicContact CB-CB 4.35Å; P275-V384 HydrophobicContact CB-CG1 3.7Å; P275-V384 HydrophobicContact CG-CB 4.16Å; P275-V384 HydrophobicContact CG-CG1 3.94Å; P275-V384 WeakPolarHBondContact CG-O 3.41Å; P278-V384 HydrophobicContact CB-CG2 4.05Å; P278-V384 VanDerWaalsContact CD-CG2 3.43Å; P278-V384 HydrophobicContact CG-CG2 3.42Å; P278-V384 VanDerWaalsContact CG-CG2 3.42Å; I304-V384 HydrophobicContact CB-CG1 4.19Å; I304-V384 HydrophobicContact CD1-CG1 3.8Å; I304-V384 HydrophobicContact CG1-CG1 3.7Å; I304-V384 HydrophobicContact CG2-CG1 3.43Å; I304-V384 VanDerWaalsContact CG2-CG1 3.43Å; Y307-V384 HydrophobicContact CD1-CB 4.47Å; Y307-V384 HydrophobicContact CD1-CG1 4.35Å; Y307-V384 HydrophobicContact CD1-CG2 3.79Å; Y307-V384 HydrophobicContact CE1-CB 4.48Å; Y307-V384 HydrophobicContact CE1-CG1 4.05Å; Y307-V384 HydrophobicContact CE1-CG2 3.75Å; V384-S394 CarbonylContact O-C 3.6Å; V384-S394 WeakPolarHBondContact O-CA 3.47Å; V384-S394 WeakPolarHBondContact O-CB 3.3Å; V384-C395 PolarHBondContact N-O 2.83Å; V384-C395 PolarHBondContact O-N 2.82Å |
| 385 | V | 80.9 | Confident | 77.8 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.1 | -176.4 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | S305 F306 R383 R387 | S305-V385 WeakPolarHBondContact CB-O 3.14Å; S305-V385 PolarHBondContact N-O 2.81Å; F306-V385 HydrophobicContact CD2-CB 3.91Å; F306-V385 HydrophobicContact CD2-CG2 4.11Å; F306-V385 HydrophobicContact CE1-CB 4.37Å; F306-V385 HydrophobicContact CE1-CG1 4.18Å; F306-V385 HydrophobicContact CE2-CB 3.5Å; F306-V385 HydrophobicContact CE2-CG1 3.81Å; F306-V385 HydrophobicContact CE2-CG2 3.61Å; F306-V385 HydrophobicContact CZ-CB 3.76Å; F306-V385 HydrophobicContact CZ-CG1 3.55Å; F306-V385 HydrophobicContact CZ-CG2 4.25Å; F306-V385 PolarHBondContact N-O 2.73Å; F306-V385 PolarHBondContact O-N 3.24Å; R383-V385 HydrophobicContact CG-CG2 3.93Å; V385-R387 HydrophobicContact CG1-CB 4.33Å |
| 386 | S | 79.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111 | 164.6 | -59.6 | 0 | 0 | 0 | 0 | 107.8 | P275 P303 S392 R393 | P275-S386 WeakPolarHBondContact CB-OG 3.25Å; P275-S386 WeakPolarHBondContact CD-OG 3.42Å; P275-S386 WeakPolarHBondContact CG-OG 3.46Å; P303-S386 VanDerWaalsContact O-CA 3.32Å; P303-S386 WeakPolarHBondContact O-CA 3.34Å; P303-S386 WeakPolarHBondContact O-CB 3.38Å; P303-S386 PolarHBondContact O-OG 2.78Å; P303-S386 VanDerWaalsContact O-OG 3.04Å; S386-S392 CarbonylContact O-C 3.6Å; S386-S392 VanDerWaalsContact O-CA 3.3Å; S386-S392 WeakPolarHBondContact O-CA 3.4Å; S386-R393 PolarHBondContact N-O 3.37Å; S386-R393 PolarHBondContact O-N 2.83Å |
| 387 | R | 74.1 | Confident | 79 | Confident | 142 Ų | 142 | 51.9 Ų | 51.9 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129 | -178.2 | -173.7 | 173.6 | 70.1 | 179.4 | 0.2 | 110.8 | S305 F306 V385 | S305-R387 PolarHBondContact OG-N 3.23Å; S305-R387 PolarHBondContact OG-O 3.09Å; F306-R387 HydrophobicContact CE1-CB 3.92Å; F306-R387 HydrophobicContact CZ-CB 4.42Å; V385-R387 HydrophobicContact CG1-CB 4.33Å |
| 388 | W | 65.4 | Low | 79.3 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 117.3 | 172.7 | -174.3 | -101 | 0 | 0 | 0 | 111.1 | Y220 L248 L272 T390 M391 | Y220-W388 HydrophobicContact CD1-CZ2 4.43Å; Y220-W388 HydrophobicContact CD2-CH2 4.08Å; Y220-W388 AromaticContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CE1-CZ2 4.19Å; Y220-W388 AromaticContact CE2-CH2 3.63Å; Y220-W388 HydrophobicContact CE2-CH2 3.63Å; Y220-W388 AromaticContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CE2-CZ2 3.42Å; Y220-W388 VanDerWaalsContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CG-CZ2 4.21Å; Y220-W388 AromaticContact CZ-CZ2 3.66Å; L248-W388 HydrophobicContact CD1-CB 3.73Å; L248-W388 VanDerWaalsContact CD1-CD1 3.44Å; L248-W388 HydrophobicContact CD1-CD2 3.73Å; L248-W388 HydrophobicContact CD1-CE3 4.48Å; L248-W388 HydrophobicContact CD1-CG 3.33Å; L272-W388 HydrophobicContact CD2-CB 4.4Å; W388-T390 PolarHBondContact O-N 3.16Å; W388-T390 VanDerWaalsContact O-N 3.14Å; W388-M391 PolarHBondContact N-O 3.34Å; W388-M391 PolarHBondContact O-N 3.42Å |
| 389 | K | 66.8 | Low | 79.4 | Confident | 169 Ų | 169 | 53.5 Ų | 53.5 | 74% | 0.735 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -115.5 | -171.6 | -62.3 | -177 | 175.8 | -176.9 | 0 | 110.9 | ||
| 390 | T | 61.6 | Low | 79.4 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 90% | 0.896 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -6.3 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | W388 | W388-T390 PolarHBondContact O-N 3.16Å; W388-T390 VanDerWaalsContact O-N 3.14Å |
| 391 | M | 57.7 | Low | 79.3 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 46% | 0.458 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.8 | -174.9 | -160.9 | 169.4 | 177.7 | 0 | 0 | 110.1 | L272 W388 | L272-M391 HydrophobicContact CD2-CG 4.48Å; W388-M391 PolarHBondContact N-O 3.34Å; W388-M391 PolarHBondContact O-N 3.42Å |
| 392 | S | 75.3 | Confident | 79.2 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.8 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | S386 | S386-S392 CarbonylContact O-C 3.6Å; S386-S392 VanDerWaalsContact O-CA 3.3Å; S386-S392 WeakPolarHBondContact O-CA 3.4Å |
| 393 | R | 78.2 | Confident | 78.7 | Confident | 109 Ų | 109 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.3 | 165.7 | -68 | -130.7 | -177.5 | -178.2 | 0.8 | 109.1 | L272 V274 S386 | L272-R393 HydrophobicContact CD2-CG 4.44Å; L272-R393 PolarHBondContact O-NE 2.88Å; V274-R393 HydrophobicContact CG2-CB 4.37Å; V274-R393 VanDerWaalsContact CG2-CD 3.49Å; S386-R393 PolarHBondContact N-O 3.37Å; S386-R393 PolarHBondContact O-N 2.83Å |
| 394 | S | 82.6 | Confident | 77.8 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | C322 R383 V384 | C322-S394 PolarHBondContact O-OG 2.94Å; R383-S394 PolarHBondContact NE-OG 3.49Å; R383-S394 PolarHBondContact NH2-OG 3.29Å; V384-S394 CarbonylContact O-C 3.6Å; V384-S394 WeakPolarHBondContact O-CA 3.47Å; V384-S394 WeakPolarHBondContact O-CB 3.3Å |
| 395 | C | 83.9 | Confident | 76.7 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144.3 | 170.9 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | V274 P275 R383 V384 | V274-C395 HydrophobicContact CG1-CB 3.95Å; P275-C395 HydrophobicContact CG-CB 4.37Å; R383-C395 CarbonylContact C-O 3.57Å; R383-C395 WeakPolarHBondContact CA-O 3.43Å; V384-C395 PolarHBondContact N-O 2.83Å; V384-C395 PolarHBondContact O-N 2.82Å |
| 396 | C | 86.6 | Confident | 75.5 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.4 | -177.3 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | F320 C322 V381 L382 R383 | F320-C396 HydrophobicContact CE1-CB 4.18Å; C322-C396 WeakPolarHBondContact CA-SG 3.44Å; C322-C396 HydrophobicContact CB-CB 3.7Å; C322-C396 WeakPolarHBondContact CB-SG 3.29Å; C322-C396 VanDerWaalsContact SG-CA 3.6Å; C322-C396 WeakPolarHBondContact SG-CB 3.35Å; C322-C396 PolarHBondContact SG-N 3.5Å; C322-C396 CovalentContact SG-SG 2.02Å; C322-C396 PolarHBondContact SG-SG 2.8Å; V381-C396 HydrophobicContact CG1-CB 3.87Å; L382-C396 CarbonylContact O-C 3.56Å; L382-C396 VanDerWaalsContact O-CA 3.3Å; L382-C396 WeakPolarHBondContact O-CA 3.31Å; R383-C396 VanDerWaalsContact CG-SG 3.54Å |
| 397 | V | 86.8 | Confident | 74.5 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 21% | 0.212 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.4 | 175.1 | 65.3 | 0 | 0 | 0 | 0 | 109.3 | P278 V280 L382 W399 | P278-V397 HydrophobicContact CG-CG1 3.63Å; V280-V397 HydrophobicContact CG2-CB 4.23Å; V280-V397 HydrophobicContact CG2-CG1 3.52Å; V280-V397 HydrophobicContact CG2-CG2 3.61Å; L382-V397 HydrophobicContact CB-CG1 3.92Å; L382-V397 HydrophobicContact CD2-CG1 4.3Å; L382-V397 HydrophobicContact CG-CG1 4.43Å; L382-V397 PolarHBondContact N-O 2.82Å; L382-V397 PolarHBondContact O-N 3.39Å; V397-W399 PolarHBondContact O-N 2.72Å |
| 398 | L | 84.3 | Confident | 73.6 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.1 | 171.2 | -174.7 | 63.3 | 0 | 0 | 0 | 108.5 | Y282 F379 V381 | Y282-L398 HydrophobicContact CD2-CD2 4.13Å; Y282-L398 HydrophobicContact CD2-CG 4.08Å; Y282-L398 HydrophobicContact CE2-CD2 3.65Å; Y282-L398 HydrophobicContact CE2-CG 3.91Å; F379-L398 HydrophobicContact CB-CD1 3.96Å; F379-L398 HydrophobicContact CD1-CD1 3.84Å; F379-L398 HydrophobicContact CD1-CD2 4.22Å; F379-L398 HydrophobicContact CE1-CD2 4.39Å; F379-L398 HydrophobicContact CG-CD1 4.22Å; V381-L398 HydrophobicContact CG2-CD1 3.99Å |
| 399 | W | 86.5 | Confident | 73.3 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 5% | 0.053 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -47.4 | -177.5 | 167.6 | 41.6 | 0 | 0 | 0 | 112.2 | V280 Y282 T283 P290 L292 V358 I380 V397 | V280-W399 HydrophobicContact CG2-CB 4.39Å; Y282-W399 VanDerWaalsContact CA-O 3.31Å; Y282-W399 WeakPolarHBondContact CA-O 3.05Å; T283-W399 PolarHBondContact N-O 3.29Å; T283-W399 VanDerWaalsContact N-O 3.12Å; P290-W399 HydrophobicContact CB-CH2 3.67Å; P290-W399 HydrophobicContact CB-CZ2 3.75Å; P290-W399 HydrophobicContact CG-CH2 3.91Å; P290-W399 HydrophobicContact CG-CZ2 4.4Å; P290-W399 HydrophobicContact CG-CZ3 4.45Å; L292-W399 VanDerWaalsContact CA-CZ2 3.43Å; L292-W399 HydrophobicContact CB-CD2 4.32Å; L292-W399 HydrophobicContact CB-CE3 4.18Å; L292-W399 HydrophobicContact CB-CH2 3.43Å; L292-W399 VanDerWaalsContact CB-CH2 3.43Å; L292-W399 HydrophobicContact CB-CZ2 3.53Å; L292-W399 HydrophobicContact CB-CZ3 3.75Å; L292-W399 HydrophobicContact CD1-CD2 3.76Å; L292-W399 HydrophobicContact CD1-CE3 4.29Å; L292-W399 HydrophobicContact CD1-CG 4.06Å; L292-W399 HydrophobicContact CD1-CZ2 4.06Å; L292-W399 HydrophobicContact CD2-CE3 4.39Å; L292-W399 HydrophobicContact CG-CD2 4.44Å; L292-W399 HydrophobicContact CG-CH2 4.5Å; L292-W399 HydrophobicContact CG-CZ2 4.36Å; L292-W399 VanDerWaalsContact N-CH2 3.31Å; L292-W399 VanDerWaalsContact N-CZ2 3.34Å; V358-W399 HydrophobicContact CG2-CH2 4.01Å; V358-W399 HydrophobicContact CG2-CZ3 3.51Å; I380-W399 HydrophobicContact CB-CE3 4.06Å; I380-W399 HydrophobicContact CB-CZ3 4.48Å; I380-W399 HydrophobicContact CD1-CE3 4.5Å; I380-W399 HydrophobicContact CD1-CZ3 4.23Å; I380-W399 HydrophobicContact CG2-CE3 3.44Å; I380-W399 VanDerWaalsContact CG2-CE3 3.44Å; I380-W399 HydrophobicContact CG2-CZ3 3.77Å; I380-W399 PolarHBondContact O-N 2.64Å; V397-W399 PolarHBondContact O-N 2.72Å |
| 400 | A | 85.6 | Confident | 73.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 155.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T283 P290 I380 | T283-A400 CarbonylContact O-C 3.43Å; T283-A400 WeakPolarHBondContact O-CA 3.42Å; T283-A400 WeakPolarHBondContact O-CB 3.03Å; T283-A400 WeakPolarHBondContact OG1-CB 3.06Å; P290-A400 HydrophobicContact CG-CB 4.38Å; I380-A400 HydrophobicContact CB-CB 4.4Å; I380-A400 HydrophobicContact CD1-CB 3.87Å; I380-A400 PolarHBondContact N-O 2.73Å; I380-A400 PolarHBondContact O-N 3.17Å |
| 401 | K | 85.4 | Confident | 73.2 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 168.2 | -178.1 | -172.1 | 177.6 | -171.7 | 0 | 108.7 | Y282 T283 E284 L285 T377 Y378 F379 | Y282-K401 HydrophobicContact CE2-CB 4.37Å; Y282-K401 WeakPolarHBondContact OH-CB 3.18Å; T283-K401 PolarHBondContact O-N 3.36Å; E284-K401 CarbonylContact C-O 3.53Å; E284-K401 WeakPolarHBondContact CA-O 3.02Å; E284-K401 HydrophobicContact CG-CB 4.25Å; L285-K401 PolarHBondContact N-O 2.03Å; T377-K401 HydrophobicContact CG2-CG 4.15Å; Y378-K401 CarbonylContact O-C 3.52Å; Y378-K401 WeakPolarHBondContact O-CA 3.26Å; F379-K401 HydrophobicContact CD1-CB 3.84Å; F379-K401 HydrophobicContact CD1-CD 4.49Å; F379-K401 HydrophobicContact CD1-CG 3.93Å; F379-K401 HydrophobicContact CE1-CB 3.76Å; F379-K401 HydrophobicContact CE1-CD 3.67Å; F379-K401 HydrophobicContact CE1-CG 3.59Å; F379-K401 HydrophobicContact CZ-CD 4.02Å; F379-K401 HydrophobicContact CZ-CG 4.19Å |
| 402 | V | 83.6 | Confident | 73.6 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | L285 P290 L372 T377 Y378 I380 | L285-V402 CarbonylContact O-C 3.56Å; L285-V402 WeakPolarHBondContact O-CA 3.36Å; P290-V402 HydrophobicContact CG-CG2 3.87Å; L372-V402 HydrophobicContact CD1-CB 4.42Å; L372-V402 HydrophobicContact CD1-CG1 4.18Å; L372-V402 HydrophobicContact CD1-CG2 4.31Å; T377-V402 CarbonylContact C-O 3.43Å; T377-V402 VanDerWaalsContact CA-O 3.3Å; T377-V402 WeakPolarHBondContact CA-O 3.49Å; Y378-V402 PolarHBondContact N-O 2.92Å; Y378-V402 PolarHBondContact O-N 2.82Å; I380-V402 HydrophobicContact CD1-CG2 3.77Å |
| 403 | A | 77.6 | Confident | 73.3 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | L285 T405 | L285-A403 PolarHBondContact O-N 2.85Å; A403-T405 PolarHBondContact O-N 3.35Å |
| 404 | G | 66.7 | Low | 73.1 | Confident | 24 Ų | 24 | 63 Ų | 63 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 121.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N376 S406 | N376-G404 WeakPolarHBondContact O-CA 3.46Å; N376-G404 PolarHBondContact O-N 2.59Å; G404-S406 PolarHBondContact O-N 3.3Å |
| 405 | T | 61.2 | Low | 72.6 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 27% | 0.27 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 123.1 | 168.6 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | A403 Y407 R410 | A403-T405 PolarHBondContact O-N 3.35Å; T405-Y407 PolarHBondContact O-N 3.24Å; T405-R410 PolarHBondContact OG1-NE 3.27Å |
| 406 | S | 56.9 | Low | 72.1 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 136.5 | 175.9 | 80.2 | 0 | 0 | 0 | 0 | 109.2 | G404 I408 L409 R410 | G404-S406 PolarHBondContact O-N 3.3Å; S406-I408 PolarHBondContact O-N 2.85Å; S406-I408 VanDerWaalsContact O-N 3.12Å; S406-L409 PolarHBondContact O-N 2.77Å; S406-L409 WeakPolarHBondContact OG-CB 3.47Å; S406-L409 WeakPolarHBondContact OG-CD1 3.29Å; S406-L409 PolarHBondContact OG-N 2.73Å; S406-L409 VanDerWaalsContact OG-N 3.14Å; S406-R410 PolarHBondContact O-N 2.94Å |
| 407 | Y | 57 | Low | 71.7 | Confident | 192 Ų | 192 | 67.5 Ų | 67.5 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -52.6 | -34.6 | 175.1 | 177.3 | -98.1 | 0 | 0 | 0 | 111.5 | T405 R410 V411 | T405-Y407 PolarHBondContact O-N 3.24Å; Y407-R410 PolarHBondContact O-N 3.3Å; Y407-V411 HydrophobicContact CD1-CG2 4.23Å; Y407-V411 HydrophobicContact CE1-CG2 3.84Å; Y407-V411 HydrophobicContact CE2-CG2 4.27Å; Y407-V411 WeakPolarHBondContact O-CG2 3.46Å; Y407-V411 PolarHBondContact O-N 3.08Å; Y407-V411 VanDerWaalsContact O-N 3.11Å |
| 408 | I | 56.5 | Low | 71.4 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 68% | 0.677 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 178.7 | -58.5 | 175.9 | 0 | 0 | 0 | 111.7 | S406 V411 S412 | S406-I408 PolarHBondContact O-N 2.85Å; S406-I408 VanDerWaalsContact O-N 3.12Å; I408-V411 PolarHBondContact O-N 3.01Å; I408-S412 VanDerWaalsContact O-CB 3.32Å; I408-S412 WeakPolarHBondContact O-CB 3.27Å; I408-S412 PolarHBondContact O-N 2.04Å; I408-S412 PolarHBondContact O-OG 2.89Å |
| 409 | L | 58.2 | Low | 71.3 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.5 | -35.4 | 178.8 | -89.2 | 157.9 | 0 | 0 | 0 | 112.9 | S406 S412 S413 | S406-L409 PolarHBondContact O-N 2.77Å; S406-L409 WeakPolarHBondContact OG-CB 3.47Å; S406-L409 WeakPolarHBondContact OG-CD1 3.29Å; S406-L409 PolarHBondContact OG-N 2.73Å; S406-L409 VanDerWaalsContact OG-N 3.14Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-OG 3.49Å; L409-S412 VanDerWaalsContact O-OG 3.05Å; L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.48Å; L409-S413 PolarHBondContact O-N 3.12Å |
| 410 | R | 62.7 | Low | 71.3 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.9 | -45.2 | 174.4 | -78.5 | -171.2 | 175.7 | -167.7 | -1.6 | 111.7 | T405 S406 Y407 S413 L414 | T405-R410 PolarHBondContact OG1-NE 3.27Å; S406-R410 PolarHBondContact O-N 2.94Å; Y407-R410 PolarHBondContact O-N 3.3Å; R410-S413 PolarHBondContact O-N 3.15Å; R410-L414 WeakPolarHBondContact O-CB 3.33Å; R410-L414 WeakPolarHBondContact O-CD1 3.41Å; R410-L414 WeakPolarHBondContact O-CG 3.33Å; R410-L414 PolarHBondContact O-N 3.31Å |
| 411 | V | 64.8 | Low | 71.1 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 37% | 0.37 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | Y407 I408 L414 C415 | Y407-V411 HydrophobicContact CD1-CG2 4.23Å; Y407-V411 HydrophobicContact CE1-CG2 3.84Å; Y407-V411 HydrophobicContact CE2-CG2 4.27Å; Y407-V411 WeakPolarHBondContact O-CG2 3.46Å; Y407-V411 PolarHBondContact O-N 3.08Å; Y407-V411 VanDerWaalsContact O-N 3.11Å; I408-V411 PolarHBondContact O-N 3.01Å; V411-L414 PolarHBondContact O-N 2.94Å; V411-C415 WeakPolarHBondContact O-CB 3.47Å; V411-C415 PolarHBondContact O-N 3.24Å; V411-C415 PolarHBondContact O-SG 3.14Å |
| 412 | S | 65.7 | Low | 71.1 | Confident | 58 Ų | 58 | 76 Ų | 76 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | I408 L409 C415 A416 | I408-S412 VanDerWaalsContact O-CB 3.32Å; I408-S412 WeakPolarHBondContact O-CB 3.27Å; I408-S412 PolarHBondContact O-N 2.04Å; I408-S412 PolarHBondContact O-OG 2.89Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-OG 3.49Å; L409-S412 VanDerWaalsContact O-OG 3.05Å; S412-C415 PolarHBondContact O-N 3.31Å; S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.44Å; S412-A416 PolarHBondContact O-N 3.37Å |
| 413 | S | 69.3 | Low | 71.3 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | L409 R410 A416 A417 | L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.48Å; L409-S413 PolarHBondContact O-N 3.12Å; R410-S413 PolarHBondContact O-N 3.15Å; S413-A416 PolarHBondContact O-N 2.91Å; S413-A417 WeakPolarHBondContact O-CB 3.49Å; S413-A417 PolarHBondContact O-N 3.22Å |
| 414 | L | 74.3 | Confident | 71.6 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 65% | 0.649 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 176 | -74.4 | 164.3 | 0 | 0 | 0 | 111.9 | R410 V411 A417 A418 | R410-L414 WeakPolarHBondContact O-CB 3.33Å; R410-L414 WeakPolarHBondContact O-CD1 3.41Å; R410-L414 WeakPolarHBondContact O-CG 3.33Å; R410-L414 PolarHBondContact O-N 3.31Å; V411-L414 PolarHBondContact O-N 2.94Å; L414-A417 PolarHBondContact O-N 3.16Å; L414-A418 WeakPolarHBondContact O-CB 3.05Å; L414-A418 PolarHBondContact O-N 3.33Å |
| 415 | C | 70.1 | Confident | 72.5 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 52% | 0.52 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.4 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | V411 S412 A418 S419 | V411-C415 WeakPolarHBondContact O-CB 3.47Å; V411-C415 PolarHBondContact O-N 3.24Å; V411-C415 PolarHBondContact O-SG 3.14Å; S412-C415 PolarHBondContact O-N 3.31Å; C415-A418 PolarHBondContact O-N 2.97Å; C415-S419 WeakPolarHBondContact O-CB 3.37Å; C415-S419 PolarHBondContact O-N 3.43Å; C415-S419 PolarHBondContact O-OG 3.21Å |
| 416 | A | 73.9 | Confident | 73.8 | Confident | 45 Ų | 45 | 88 Ų | 88 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S412 S413 A418 S419 I420 | S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.44Å; S412-A416 PolarHBondContact O-N 3.37Å; S413-A416 PolarHBondContact O-N 2.91Å; A416-A418 PolarHBondContact O-N 3.05Å; A416-S419 VanDerWaalsContact CA-OG 3.3Å; A416-S419 WeakPolarHBondContact CA-OG 3.35Å; A416-S419 PolarHBondContact O-N 2.88Å; A416-S419 PolarHBondContact O-OG 2.77Å; A416-I420 VanDerWaalsContact O-CG1 3.25Å; A416-I420 WeakPolarHBondContact O-CG1 3.02Å; A416-I420 PolarHBondContact O-N 2.8Å |
| 417 | A | 78.3 | Confident | 75.1 | Confident | 58 Ų | 58 | 91.5 Ų | 91.5 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S413 L414 S419 I420 A421 | S413-A417 WeakPolarHBondContact O-CB 3.49Å; S413-A417 PolarHBondContact O-N 3.22Å; L414-A417 PolarHBondContact O-N 3.16Å; A417-S419 PolarHBondContact O-N 3.16Å; A417-I420 PolarHBondContact O-N 3.23Å; A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 3.26Å |
| 418 | A | 81.5 | Confident | 76.4 | Confident | 63 Ų | 63 | 87.3 Ų | 87.3 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L414 C415 A416 A421 A422 | L414-A418 WeakPolarHBondContact O-CB 3.05Å; L414-A418 PolarHBondContact O-N 3.33Å; C415-A418 PolarHBondContact O-N 2.97Å; A416-A418 PolarHBondContact O-N 3.05Å; A418-A421 PolarHBondContact O-N 2.9Å; A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 2.84Å |
| 419 | S | 81.7 | Confident | 77.4 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.5 | -39.2 | 178.2 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | C415 A416 A417 A421 A422 V423 | C415-S419 WeakPolarHBondContact O-CB 3.37Å; C415-S419 PolarHBondContact O-N 3.43Å; C415-S419 PolarHBondContact O-OG 3.21Å; A416-S419 VanDerWaalsContact CA-OG 3.3Å; A416-S419 WeakPolarHBondContact CA-OG 3.35Å; A416-S419 PolarHBondContact O-N 2.88Å; A416-S419 PolarHBondContact O-OG 2.77Å; A417-S419 PolarHBondContact O-N 3.16Å; S419-A421 VanDerWaalsContact C-N 3.33Å; S419-A421 PolarHBondContact O-N 3.25Å; S419-A422 PolarHBondContact O-N 2.88Å; S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 3.33Å |
| 420 | I | 86.1 | Confident | 78.5 | Confident | 120 Ų | 120 | 80.4 Ų | 80.4 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 172.1 | -66.8 | 164.6 | 0 | 0 | 0 | 110.7 | A416 A417 A422 V423 A424 | A416-I420 VanDerWaalsContact O-CG1 3.25Å; A416-I420 WeakPolarHBondContact O-CG1 3.02Å; A416-I420 PolarHBondContact O-N 2.8Å; A417-I420 PolarHBondContact O-N 3.23Å; I420-A422 PolarHBondContact O-N 2.84Å; I420-V423 PolarHBondContact O-N 2.99Å; I420-A424 WeakPolarHBondContact O-CB 3.36Å; I420-A424 PolarHBondContact O-N 2.95Å |
| 421 | A | 82.1 | Confident | 79.3 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A417 A418 S419 A424 M425 | A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 3.26Å; A418-A421 PolarHBondContact O-N 2.9Å; S419-A421 VanDerWaalsContact C-N 3.33Å; S419-A421 PolarHBondContact O-N 3.25Å; A421-A424 PolarHBondContact O-N 2.79Å; A421-M425 WeakPolarHBondContact O-CG 3.44Å; A421-M425 PolarHBondContact O-N 3.22Å |
| 422 | A | 85.3 | Confident | 79.9 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A418 S419 I420 A424 M425 V426 | A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 2.84Å; S419-A422 PolarHBondContact O-N 2.88Å; I420-A422 PolarHBondContact O-N 2.84Å; A422-A424 PolarHBondContact O-N 2.92Å; A422-M425 PolarHBondContact O-N 2.72Å; A422-V426 WeakPolarHBondContact O-CG2 3.46Å; A422-V426 PolarHBondContact O-N 3.43Å |
| 423 | V | 86.7 | Confident | 80.1 | Confident | 85 Ų | 85 | 90 Ų | 90 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | S419 I420 M425 V426 L427 | S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 3.33Å; I420-V423 PolarHBondContact O-N 2.99Å; V423-M425 VanDerWaalsContact C-N 3.31Å; V423-M425 PolarHBondContact O-N 2.69Å; V423-V426 PolarHBondContact O-N 2.82Å; V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.29Å; V423-L427 WeakPolarHBondContact O-CB 3.45Å; V423-L427 WeakPolarHBondContact O-CG 3.21Å; V423-L427 PolarHBondContact O-N 2.03Å |
| 424 | A | 85.1 | Confident | 79.9 | Confident | 45 Ų | 45 | 89.8 Ų | 89.8 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I420 A421 A422 L427 L428 | I420-A424 WeakPolarHBondContact O-CB 3.36Å; I420-A424 PolarHBondContact O-N 2.95Å; A421-A424 PolarHBondContact O-N 2.79Å; A422-A424 PolarHBondContact O-N 2.92Å; A424-L427 PolarHBondContact O-N 3.18Å; A424-L428 WeakPolarHBondContact O-CB 3.44Å; A424-L428 VanDerWaalsContact O-CG 3.26Å; A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.29Å |
| 425 | M | 86.1 | Confident | 79.5 | Confident | 132 Ų | 132 | 90.9 Ų | 90.9 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 175.2 | -74 | -66.3 | -69.9 | 0 | 0 | 112.4 | A421 A422 V423 L428 A429 | A421-M425 WeakPolarHBondContact O-CG 3.44Å; A421-M425 PolarHBondContact O-N 3.22Å; A422-M425 PolarHBondContact O-N 2.72Å; V423-M425 VanDerWaalsContact C-N 3.31Å; V423-M425 PolarHBondContact O-N 2.69Å; M425-L428 PolarHBondContact O-N 3.35Å; M425-A429 WeakPolarHBondContact O-CB 3.22Å; M425-A429 PolarHBondContact O-N 2.93Å |
| 426 | V | 87 | Confident | 79 | Confident | 100 Ų | 100 | 91.4 Ų | 91.4 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | A422 V423 L428 A429 A430 | A422-V426 WeakPolarHBondContact O-CG2 3.46Å; A422-V426 PolarHBondContact O-N 3.43Å; V423-V426 PolarHBondContact O-N 2.82Å; V426-L428 PolarHBondContact O-N 3.31Å; V426-A429 PolarHBondContact O-N 3.41Å; V426-A430 WeakPolarHBondContact O-CB 3.44Å; V426-A430 PolarHBondContact O-N 3.32Å |
| 427 | L | 85.4 | Confident | 78.3 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.1 | -39.8 | 176.6 | -71.7 | 173.4 | 0 | 0 | 0 | 111.8 | V423 A424 A430 Y431 | V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.29Å; V423-L427 WeakPolarHBondContact O-CB 3.45Å; V423-L427 WeakPolarHBondContact O-CG 3.21Å; V423-L427 PolarHBondContact O-N 2.03Å; A424-L427 PolarHBondContact O-N 3.18Å; L427-A430 PolarHBondContact O-N 2.75Å; L427-Y431 VanDerWaalsContact O-CB 3.29Å; L427-Y431 WeakPolarHBondContact O-CB 3.06Å; L427-Y431 PolarHBondContact O-N 3.2Å |
| 428 | L | 83.9 | Confident | 77.1 | Confident | 105 Ų | 105 | 98.6 Ų | 98.6 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 174 | -77.3 | 166.1 | 0 | 0 | 0 | 111.7 | A424 M425 V426 Y431 R432 | A424-L428 WeakPolarHBondContact O-CB 3.44Å; A424-L428 VanDerWaalsContact O-CG 3.26Å; A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.29Å; M425-L428 PolarHBondContact O-N 3.35Å; V426-L428 PolarHBondContact O-N 3.31Å; L428-Y431 PolarHBondContact O-N 2.94Å; L428-R432 WeakPolarHBondContact O-CB 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.34Å; L428-R432 PolarHBondContact O-N 3.31Å |
| 429 | A | 78.4 | Confident | 75.5 | Confident | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.8 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | M425 V426 R432 L433 | M425-A429 WeakPolarHBondContact O-CB 3.22Å; M425-A429 PolarHBondContact O-N 2.93Å; V426-A429 PolarHBondContact O-N 3.41Å; A429-R432 WeakPolarHBondContact O-CB 3.04Å; A429-R432 PolarHBondContact O-N 2.82Å; A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 WeakPolarHBondContact O-CG 3.42Å; A429-L433 PolarHBondContact O-N 3.19Å |
| 430 | A | 79.7 | Confident | 73.8 | Confident | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V426 L427 L433 S434 | V426-A430 WeakPolarHBondContact O-CB 3.44Å; V426-A430 PolarHBondContact O-N 3.32Å; L427-A430 PolarHBondContact O-N 2.75Å; A430-L433 PolarHBondContact O-N 3.22Å; A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 3.28Å |
| 431 | Y | 80.3 | Confident | 71.4 | Confident | 162 Ų | 162 | 110.9 Ų | 110.9 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -43.3 | 173.8 | -179.3 | -99.9 | 0 | 0 | 0 | 111.6 | L427 L428 L433 S434 W435 | L427-Y431 VanDerWaalsContact O-CB 3.29Å; L427-Y431 WeakPolarHBondContact O-CB 3.06Å; L427-Y431 PolarHBondContact O-N 3.2Å; L428-Y431 PolarHBondContact O-N 2.94Å; Y431-L433 VanDerWaalsContact C-N 3.35Å; Y431-L433 PolarHBondContact O-N 3.33Å; Y431-S434 PolarHBondContact O-N 3.44Å; Y431-W435 VanDerWaalsContact O-CB 3.31Å; Y431-W435 WeakPolarHBondContact O-CB 2.99Å; Y431-W435 PolarHBondContact O-N 2.88Å |
| 432 | R | 76.4 | Confident | 69.4 | Low | 187 Ų | 187 | 114.1 Ų | 114.1 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.4 | -43 | 174.2 | -68.8 | -93 | -143.9 | -138.3 | 1 | 111.8 | L428 A429 W435 C436 | L428-R432 WeakPolarHBondContact O-CB 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.34Å; L428-R432 PolarHBondContact O-N 3.31Å; A429-R432 WeakPolarHBondContact O-CB 3.04Å; A429-R432 PolarHBondContact O-N 2.82Å; R432-W435 PolarHBondContact O-N 2.96Å; R432-C436 PolarHBondContact O-N 3.25Å; R432-C436 PolarHBondContact O-SG 3.08Å |
| 433 | L | 70.1 | Confident | 67 | Low | 119 Ų | 119 | 121 Ų | 121 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66 | -44.5 | 177.1 | -78.6 | 159.4 | 0 | 0 | 0 | 112.1 | A429 A430 Y431 W435 C436 V437 | A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 WeakPolarHBondContact O-CG 3.42Å; A429-L433 PolarHBondContact O-N 3.19Å; A430-L433 PolarHBondContact O-N 3.22Å; Y431-L433 VanDerWaalsContact C-N 3.35Å; Y431-L433 PolarHBondContact O-N 3.33Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 PolarHBondContact O-N 2.71Å; L433-C436 WeakPolarHBondContact O-CB 3.43Å; L433-C436 PolarHBondContact O-N 2.89Å; L433-V437 WeakPolarHBondContact O-CG2 3.44Å; L433-V437 PolarHBondContact O-N 2.75Å; L433-V437 VanDerWaalsContact O-N 3.12Å |
| 434 | S | 65.3 | Low | 64.5 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.2 | -40.9 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | A430 Y431 C436 V437 N438 | A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 3.28Å; Y431-S434 PolarHBondContact O-N 3.44Å; S434-C436 VanDerWaalsContact C-N 3.32Å; S434-C436 PolarHBondContact O-N 3.06Å; S434-V437 PolarHBondContact O-N 2.82Å; S434-N438 PolarHBondContact O-N 2.04Å; S434-N438 VanDerWaalsContact O-N 3.12Å |
| 435 | W | 65.4 | Low | 62 | Low | 147 Ų | 147 | 124.4 Ų | 124.4 | 56% | 0.557 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.5 | -34.2 | 174.6 | -172.6 | 74 | 0 | 0 | 0 | 112.8 | Y431 R432 L433 | Y431-W435 VanDerWaalsContact O-CB 3.31Å; Y431-W435 WeakPolarHBondContact O-CB 2.99Å; Y431-W435 PolarHBondContact O-N 2.88Å; R432-W435 PolarHBondContact O-N 2.96Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 PolarHBondContact O-N 2.71Å |
| 436 | C | 59.5 | Low | 60.4 | Low | 87 Ų | 87 | 123.3 Ų | 123.3 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.8 | -34.8 | 173.1 | -78.9 | 0 | 0 | 0 | 0 | 113.2 | R432 L433 S434 | R432-C436 PolarHBondContact O-N 3.25Å; R432-C436 PolarHBondContact O-SG 3.08Å; L433-C436 WeakPolarHBondContact O-CB 3.43Å; L433-C436 PolarHBondContact O-N 2.89Å; S434-C436 VanDerWaalsContact C-N 3.32Å; S434-C436 PolarHBondContact O-N 3.06Å |
| 437 | V | 59.9 | Low | 57.8 | Low | 110 Ų | 110 | 126.9 Ų | 126.9 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.6 | -31.2 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | L433 S434 R439 | L433-V437 WeakPolarHBondContact O-CG2 3.44Å; L433-V437 PolarHBondContact O-N 2.75Å; L433-V437 VanDerWaalsContact O-N 3.12Å; S434-V437 PolarHBondContact O-N 2.82Å; V437-R439 PolarHBondContact O-N 2.89Å |
| 438 | N | 52.9 | Low | 55.4 | Low | 145 Ų | 145 | 125.8 Ų | 125.8 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.2 | -177 | -116.9 | 8.1 | 0 | 0 | 0 | 115.1 | S434 | S434-N438 PolarHBondContact O-N 2.04Å; S434-N438 VanDerWaalsContact O-N 3.12Å |
| 439 | R | 49.1 | Very low | 52.9 | Low | 197 Ų | 197 | 126.2 Ų | 126.2 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 5.5 | -178.9 | -132.8 | -178.2 | -174.2 | -169.3 | 2.4 | 114.5 | V437 | V437-R439 PolarHBondContact O-N 2.89Š|
| 440 | T | 45.5 | Very low | 50.8 | Low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.5 | 73.3 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 441 | Q | 34.9 | Very low | 48.4 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -176.9 | 150.8 | 138.2 | -103.4 | 173.2 | -6.5 | 0 | 0 | 112.7 | ||||
| 442 | P | 41.4 | Very low | 46.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -101.8 | 165.5 | -159.5 | 38.8 | -32.2 | 0 | 0 | 0 | 116.3 | ||||
| 443 | F | 34.4 | Very low | 44.2 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -39.6 | 143.3 | 179 | -104.8 | -102.1 | 0 | 0 | 0 | 119.6 | ||||
| 444 | S | 32.8 | Very low | 42.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | -157.8 | 132.2 | 129.5 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 445 | A | 34.1 | Very low | 40.8 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | trans | -100.1 | -176.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 446 | P | 52 | Low | 39.1 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -140.5 | -179.8 | 3.4 | 41 | -21.6 | 0 | 0 | 0 | 115.1 | ||||
| 447 | L | 31.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 139 Ų | 139 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | -176.1 | 140.5 | 121.1 | -112.1 | 128.4 | 0 | 0 | 0 | 111.5 | |||||
| 448 | A | 35.8 | Very low | 36.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -112.8 | 143.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 449 | S | 31.1 | Very low | 35.4 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -162 | 105.6 | 147.9 | 53 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 450 | V | 33.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | 56.4 | 98.9 | 90.5 | -175.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 451 | H | 30.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 143 Ų | 143 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | 164 | 114.9 | 107.4 | -135 | 54.9 | 0 | 0 | 0 | 108.4 | |||||
| 452 | S | 31.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | 59.8 | 128.3 | 93.8 | -126 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 453 | D | 34.6 | Very low | 33.8 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -176.9 | 165.7 | 0.4 | -144.5 | -11 | 0 | 0 | 0 | 106.2 | ||||
| 454 | K | 33.7 | Very low | 33.8 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 71.3 | 151.2 | 155.1 | -69.9 | 178.4 | -176.7 | 177.9 | 0 | 119.3 | ||||
| 455 | Y | 31 | Very low | 33.9 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | cis | -178.4 | 154.5 | -19.4 | -163.5 | -104.7 | 0 | 0 | 0 | 103.4 | ||||
| 456 | N | 31.1 | Very low | 33.9 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | 73.1 | 111 | 169.4 | -87.2 | 1.4 | 0 | 0 | 0 | 118.1 | ||||
| 457 | D | 30.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | 78.3 | 118.3 | 59.4 | -159.6 | 26.2 | 0 | 0 | 0 | 111.1 | |||||
| 458 | S | 30.9 | Very low | 32.9 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | 131.6 | 111 | 144.3 | -59.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 459 | K | 31.7 | Very low | 32.7 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 74.6 | 115 | 132.4 | -66 | 176.3 | 178.4 | 176.6 | 0 | 118.8 | ||||
| 460 | L | 30.4 | Very low | 32.8 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -136.1 | 103 | 141.1 | -135.3 | 87.1 | 0 | 0 | 0 | 108.8 | ||||
| 461 | Y | 33.1 | Very low | 32.7 | Very low | 205 Ų | 205 | 157.5 Ų | 157.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -103.5 | 120.6 | 154.2 | -82.5 | -90.7 | 0 | 0 | 0 | 105.6 | ||||
| 462 | I | 35.8 | Very low | 32.8 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | 62.2 | 120.6 | 110.3 | -53.9 | -177.2 | 0 | 0 | 0 | 114.3 | |||||
| 463 | L | 39.3 | Very low | 32.9 | Very low | 241 Ų | 241 | 162.7 Ų | 162.7 | 100% | 1.262 | 79% | 0.791 | S | S | * | * | trans | 10.3 | 0 | 151.4 | -76.7 | 150 | 0 | 0 | 0 | 118.9 |
Retrieved 463 of 463 residues in 1794.6 ms
(Link to these results)