| 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 | 46.7 | Very low | 53.6 | Low | 246 Ų | 246 | 163.5 Ų | 163.5 | 100% | 1.212 | 85% | 0.854 | S | S | * | * | 0 | 97.7 | 0 | -91.7 | 146.4 | 63.5 | 0 | 0 | 108.5 | |||||
| 2 | M | 44.7 | Very low | 53.9 | Low | 193 Ų | 193 | 159.8 Ų | 159.8 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | trans | -85.3 | 115.4 | 173 | -85.1 | -159.1 | 158.6 | 0 | 0 | 109.1 | R4 | M2-R4 PolarHBondContact O-N 3.37Š| ||
| 3 | L | 45.3 | Very low | 54.5 | Low | 166 Ų | 166 | 154.9 Ų | 154.9 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | -77.2 | 106.9 | 176.1 | -152.1 | 77.6 | 0 | 0 | 0 | 108.2 | V5 | L3-V5 PolarHBondContact O-N 3.3Š| ||
| 4 | R | 51.9 | Low | 54.7 | Low | 237 Ų | 237 | 150.2 Ų | 150.2 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | trans | -77.4 | 106.4 | 171.4 | -75.1 | -173.5 | 172.7 | -171.2 | -1.3 | 108.5 | M2 V6 | M2-R4 PolarHBondContact O-N 3.37Å; R4-V6 PolarHBondContact O-N 3.32Å | ||
| 5 | V | 54 | Low | 54.7 | Low | 123 Ų | 123 | 146.5 Ų | 146.5 | 75% | 0.745 | 83% | 0.832 | S | S | * | * | trans | -77.1 | 110.4 | 168.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | L3 | L3-V5 PolarHBondContact O-N 3.3Š| ||
| 6 | V | 58.5 | Low | 54.6 | Low | 128 Ų | 128 | 150.2 Ų | 150.2 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -88.8 | 107.1 | 172.5 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | R4 A8 | R4-V6 PolarHBondContact O-N 3.32Å; V6-A8 PolarHBondContact O-N 3.06Å | ||
| 7 | L | 53.9 | Low | 54.9 | Low | 147 Ų | 147 | 151.9 Ų | 151.9 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | -77.7 | 101 | 174.8 | -162.2 | 75 | 0 | 0 | 0 | 108.3 | L9 | L7-L9 PolarHBondContact O-N 3.1Š| ||
| 8 | A | 59.9 | Low | 55.6 | Low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | trans | -72.8 | 104.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V6 L10 | V6-A8 PolarHBondContact O-N 3.06Å; A8-L10 PolarHBondContact O-N 3.18Å; A8-L10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | L | 55 | Low | 57.1 | Low | 152 Ų | 152 | 146.6 Ų | 146.6 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -71 | 99 | 169.2 | -75.9 | 159.8 | 0 | 0 | 0 | 108.4 | L7 L11 | L7-L9 PolarHBondContact O-N 3.1Å; L9-L11 PolarHBondContact O-N 3.22Å | ||
| 10 | L | 60 | Low | 58.9 | Low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 93.5 | 167.2 | -73.3 | 164.8 | 0 | 0 | 0 | 108 | A8 | A8-L10 PolarHBondContact O-N 3.18Å; A8-L10 VanDerWaalsContact O-N 3.1Å | ||
| 11 | L | 59.3 | Low | 60.6 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 130.3 | 165.9 | -72 | 166 | 0 | 0 | 0 | 107.8 | L9 A13 | L9-L11 PolarHBondContact O-N 3.22Å; L11-A13 PolarHBondContact O-N 2.87Å | ||
| 12 | P | 57.7 | Low | 62.9 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 118.4 | 172.2 | 25.6 | -30.5 | 0 | 0 | 0 | 106.8 | A14 | P12-A14 PolarHBondContact O-N 3.05Š| ||
| 13 | A | 61.3 | Low | 65.4 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | trans | -57.9 | 107.1 | 169 | 0 | 0 | 0 | 0 | 0 | 105.9 | L11 A15 | L11-A13 PolarHBondContact O-N 2.87Å; A13-A15 PolarHBondContact O-N 2.96Å | ||
| 14 | A | 58.1 | Low | 67.9 | Low | 89 Ų | 89 | 114.2 Ų | 114.2 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | trans | -52.4 | 116.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | P12 Y16 | P12-A14 PolarHBondContact O-N 3.05Å; A14-Y16 VanDerWaalsContact C-N 3.27Å; A14-Y16 PolarHBondContact O-N 2.85Å | ||
| 15 | A | 53.9 | Low | 69.9 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 78% | 0.777 | 59% | 0.592 | S | S | * | * | trans | -59.6 | 99.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | A13 Q17 | A13-A15 PolarHBondContact O-N 2.96Å; A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 2.76Å | ||
| 16 | Y | 53.5 | Low | 71.9 | Confident | 206 Ų | 206 | 98.4 Ų | 98.4 | 81% | 0.808 | 56% | 0.564 | S | S | * | * | trans | -68.5 | 94.4 | 177.7 | -156.2 | -94.3 | 0 | 0 | 0 | 105.3 | A14 S18 | A14-Y16 VanDerWaalsContact C-N 3.27Å; A14-Y16 PolarHBondContact O-N 2.85Å; Y16-S18 PolarHBondContact O-N 3.18Å | ||
| 17 | Q | 60.4 | Low | 73.6 | Confident | 180 Ų | 180 | 92.6 Ų | 92.6 | 84% | 0.841 | 53% | 0.529 | S | S | * | . | trans | -63.2 | 109.9 | 172.1 | -89.8 | 178 | -14.1 | 0 | 0 | 106.2 | A15 | A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 2.76Å | ||
| 18 | S | 66.3 | Low | 75.5 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -51 | 132.5 | 171.8 | -66 | 0 | 0 | 0 | 0 | 108.6 | Y16 R20 | Y16-S18 PolarHBondContact O-N 3.18Å; S18-R20 PolarHBondContact O-N 3.04Å |
| 19 | P | 84.1 | Confident | 77 | Confident | 106 Ų | 106 | 92 Ų | 92 | 69% | 0.688 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 135.9 | 176.5 | -24.7 | 32.4 | 0 | 0 | 0 | 110 | ||
| 20 | R | 93.3 | Very high | 78.7 | Confident | 144 Ų | 144 | 88.8 Ų | 88.8 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.7 | 175.2 | -67.9 | -66 | -170.7 | 159.9 | 2.2 | 109.1 | S18 R22 Y41 P45 | S18-R20 PolarHBondContact O-N 3.04Å; R20-R22 PolarHBondContact O-N 3.34Å; R20-Y41 HydrophobicContact CB-CD1 4.11Å; R20-Y41 HydrophobicContact CB-CD2 3.61Å; R20-Y41 HydrophobicContact CB-CE2 4.19Å; R20-Y41 HydrophobicContact CB-CG 3.56Å; R20-Y41 HydrophobicContact CG-CD1 4.17Å; R20-Y41 HydrophobicContact CG-CD2 4.27Å; R20-Y41 HydrophobicContact CG-CE1 4.32Å; R20-Y41 HydrophobicContact CG-CE2 4.45Å; R20-Y41 HydrophobicContact CG-CG 4.13Å; R20-Y41 PolarHBondContact NH1-OH 3.48Å; R20-P45 HydrophobicContact CG-CB 3.95Å |
| 21 | P | 95.4 | Very high | 80.1 | Confident | 21 Ų | 21 | 84 Ų | 84 | 14% | 0.136 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 129.1 | -175.3 | 27.4 | -34.7 | 0 | 0 | 0 | 110.7 | D26 V27 I40 Y41 | P21-D26 HydrophobicContact CB-CB 3.65Å; P21-V27 HydrophobicContact CB-CG2 3.71Å; P21-V27 HydrophobicContact CG-CG2 3.89Å; P21-I40 CarbonylContact O-C 3.34Å; P21-I40 WeakPolarHBondContact O-CA 3.43Å; P21-Y41 HydrophobicContact CG-CD2 4.27Å; P21-Y41 HydrophobicContact CG-CE2 4.48Å; P21-Y41 PolarHBondContact O-N 2.97Å |
| 22 | R | 95.8 | Very high | 81.4 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -80.1 | -34.9 | 179.6 | -172.6 | 176.3 | -178.7 | 153.7 | -0.2 | 111.9 | R20 D26 I40 L107 L108 D111 | R20-R22 PolarHBondContact O-N 3.34Å; R22-D26 VanDerWaalsContact CB-OD2 3.29Å; R22-D26 WeakPolarHBondContact CB-OD2 3.29Å; R22-D26 PolarHBondContact N-OD2 3.01Å; R22-I40 WeakPolarHBondContact O-CB 3.18Å; R22-L107 PolarHBondContact NH2-O 3.41Å; R22-L108 HydrophobicContact CG-CD2 4.15Å; R22-L108 WeakPolarHBondContact O-CD2 3.39Å; R22-D111 IonicContact CZ-OD2 2.58Å; R22-D111 IonicContact NH1-OD2 2.75Å; R22-D111 PolarHBondContact NH1-OD2 2.9Å; R22-D111 IonicContact NH2-OD2 3.73Å; R22-D111 PolarHBondContact NH2-OD2 3.1Å |
| 23 | D | 96.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -145.1 | -178.3 | -175.8 | 61.1 | 33.7 | 0 | 0 | 0 | 110.7 | S25 D26 V27 L108 R112 Y114 P236 | D23-S25 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 2.64Å; D23-S25 WeakPolarHBondContact OD1-CA 3.4Å; D23-S25 VanDerWaalsContact OD1-CB 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.44Å; D23-S25 PolarHBondContact OD1-N 3.18Å; D23-D26 PolarHBondContact O-N 3.23Å; D23-D26 PolarHBondContact OD1-N 3.36Å; D23-V27 WeakPolarHBondContact O-CG2 3.43Å; D23-V27 PolarHBondContact O-N 3.46Å; D23-V27 VanDerWaalsContact O-N 3.13Å; D23-L108 HydrophobicContact CB-CD2 4.15Å; D23-R112 IonicContact OD1-NH1 3.11Å; D23-R112 IonicContact OD2-CZ 3.06Å; D23-R112 IonicContact OD2-NH1 2.87Å; D23-R112 PolarHBondContact OD2-NH1 3.38Å; D23-Y114 HydrophobicContact CB-CE1 4.43Å; D23-Y114 PolarHBondContact OD2-OH 2.99Å; D23-P236 VanDerWaalsContact OD2-CG 3.3Å; D23-P236 WeakPolarHBondContact OD2-CG 3.39Å |
| 24 | C | 96.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.8 | -23 | 179.8 | -69.1 | 0 | 0 | 0 | 0 | 114.6 | V27 Y28 C53 K66 W67 T68 | C24-V27 PolarHBondContact O-N 2.96Å; C24-Y28 PolarHBondContact O-N 3.4Å; C24-C53 WeakPolarHBondContact CA-SG 3.28Å; C24-C53 HydrophobicContact CB-CB 3.52Å; C24-C53 WeakPolarHBondContact CB-SG 3.47Å; C24-C53 WeakPolarHBondContact SG-CA 3.38Å; C24-C53 WeakPolarHBondContact SG-CB 3.26Å; C24-C53 CovalentContact SG-SG 2.04Å; C24-C53 PolarHBondContact SG-SG 3.36Å; C24-K66 HydrophobicContact CB-CB 4.45Å; C24-W67 WeakPolarHBondContact CB-O 3.48Å; C24-T68 WeakPolarHBondContact CB-OG1 3.46Å; C24-T68 PolarHBondContact N-OG1 3.2Å; C24-T68 PolarHBondContact SG-OG1 2.55Å |
| 25 | S | 94.8 | Very high | 86 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 170.8 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | D23 V27 Y28 R29 E65 K66 P236 | D23-S25 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 2.64Å; D23-S25 WeakPolarHBondContact OD1-CA 3.4Å; D23-S25 VanDerWaalsContact OD1-CB 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.44Å; D23-S25 PolarHBondContact OD1-N 3.18Å; S25-V27 VanDerWaalsContact C-N 3.33Å; S25-V27 PolarHBondContact O-N 3.09Å; S25-Y28 WeakPolarHBondContact O-CB 3.48Å; S25-Y28 PolarHBondContact O-N 2.84Å; S25-R29 WeakPolarHBondContact O-CG 3.46Å; S25-R29 PolarHBondContact O-N 3.24Å; S25-E65 WeakPolarHBondContact CB-OE2 3.46Å; S25-E65 VanDerWaalsContact OG-CA 3.29Å; S25-E65 WeakPolarHBondContact OG-CA 3.46Å; S25-E65 WeakPolarHBondContact OG-CB 3.32Å; S25-E65 PolarHBondContact OG-OE2 3.1Å; S25-K66 PolarHBondContact OG-N 3.06Å; S25-K66 PolarHBondContact OG-O 3.49Å; S25-P236 WeakPolarHBondContact OG-CD 3.36Å |
| 26 | D | 95.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 176.6 | -64.9 | -15.3 | 0 | 0 | 0 | 111.7 | P21 R22 D23 Y28 R29 S30 R112 | P21-D26 HydrophobicContact CB-CB 3.65Å; R22-D26 VanDerWaalsContact CB-OD2 3.29Å; R22-D26 WeakPolarHBondContact CB-OD2 3.29Å; R22-D26 PolarHBondContact N-OD2 3.01Å; D23-D26 PolarHBondContact O-N 3.23Å; D23-D26 PolarHBondContact OD1-N 3.36Å; D26-Y28 VanDerWaalsContact C-N 3.32Å; D26-Y28 PolarHBondContact O-N 2.84Å; D26-R29 PolarHBondContact O-N 2.73Å; D26-R29 IonicContact OD1-NH1 2.74Å; D26-R29 PolarHBondContact OD1-NH1 2.93Å; D26-S30 WeakPolarHBondContact O-CB 3.47Å; D26-S30 PolarHBondContact O-N 3.3Å; D26-S30 PolarHBondContact O-OG 2.82Å; D26-R112 IonicContact OD1-CZ 2.71Å; D26-R112 IonicContact OD1-NH1 3.23Å; D26-R112 PolarHBondContact OD1-NH1 2.69Å; D26-R112 IonicContact OD1-NH2 2.67Å; D26-R112 IonicContact OD2-NH1 3.83Å; D26-R112 IonicContact OD2-NH2 2.59Å |
| 27 | V | 95.5 | Very high | 90.2 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 170.8 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | P21 D23 C24 S25 S30 S32 Y38 I40 M55 | P21-V27 HydrophobicContact CB-CG2 3.71Å; P21-V27 HydrophobicContact CG-CG2 3.89Å; D23-V27 WeakPolarHBondContact O-CG2 3.43Å; D23-V27 PolarHBondContact O-N 3.46Å; D23-V27 VanDerWaalsContact O-N 3.13Å; C24-V27 PolarHBondContact O-N 2.96Å; S25-V27 VanDerWaalsContact C-N 3.33Å; S25-V27 PolarHBondContact O-N 3.09Å; V27-S30 WeakPolarHBondContact O-CB 3.46Å; V27-S30 PolarHBondContact O-N 3.19Å; V27-S32 PolarHBondContact O-N 3.13Å; V27-Y38 HydrophobicContact CG1-CD1 3.53Å; V27-Y38 HydrophobicContact CG1-CD2 4.1Å; V27-Y38 HydrophobicContact CG1-CE1 3.85Å; V27-Y38 HydrophobicContact CG1-CE2 4.38Å; V27-Y38 HydrophobicContact CG1-CG 3.66Å; V27-Y38 HydrophobicContact CG2-CG 4.46Å; V27-I40 HydrophobicContact CG2-CG2 4.21Å; V27-M55 HydrophobicContact CG1-CE 3.85Å |
| 28 | Y | 93.5 | Very high | 92 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 37% | 0.373 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.2 | 179.8 | -102.4 | 0 | 0 | 0 | 112.5 | C24 S25 D26 S30 G31 S32 M55 A64 K66 | C24-Y28 PolarHBondContact O-N 3.4Å; S25-Y28 WeakPolarHBondContact O-CB 3.48Å; S25-Y28 PolarHBondContact O-N 2.84Å; D26-Y28 VanDerWaalsContact C-N 3.32Å; D26-Y28 PolarHBondContact O-N 2.84Å; Y28-S30 PolarHBondContact O-N 3.22Å; Y28-G31 PolarHBondContact O-N 3.49Å; Y28-S32 WeakPolarHBondContact CA-O 3.49Å; Y28-M55 HydrophobicContact CD2-SD 4.26Å; Y28-A64 WeakPolarHBondContact CD1-O 3.45Å; Y28-K66 HydrophobicContact CD1-CG 4.01Å; Y28-K66 HydrophobicContact CD2-CD 4.31Å; Y28-K66 HydrophobicContact CD2-CG 3.94Å; Y28-K66 HydrophobicContact CG-CD 4.26Å; Y28-K66 HydrophobicContact CG-CG 3.54Å |
| 29 | R | 91.6 | Very high | 93.5 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -25.4 | 175.8 | -67.6 | 178.4 | -166.6 | 124.6 | -9.7 | 113.1 | S25 D26 G31 E65 | S25-R29 WeakPolarHBondContact O-CG 3.46Å; S25-R29 PolarHBondContact O-N 3.24Å; D26-R29 PolarHBondContact O-N 2.73Å; D26-R29 IonicContact OD1-NH1 2.74Å; D26-R29 PolarHBondContact OD1-NH1 2.93Å; R29-G31 PolarHBondContact O-N 3.49Å; R29-E65 IonicContact CZ-OE1 2.66Å; R29-E65 IonicContact CZ-OE2 3.82Å; R29-E65 IonicContact NE-OE1 2.71Å; R29-E65 IonicContact NH1-OE2 3.32Å; R29-E65 IonicContact NH2-OE1 3.93Å; R29-E65 PolarHBondContact NH2-OE1 2.75Å; R29-E65 IonicContact NH2-OE2 2.68Å; R29-E65 PolarHBondContact NH2-OE2 3.1Å |
| 30 | S | 90.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 58% | 0.58 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 1.4 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | D26 V27 Y28 | D26-S30 WeakPolarHBondContact O-CB 3.47Å; D26-S30 PolarHBondContact O-N 3.3Å; D26-S30 PolarHBondContact O-OG 2.82Å; V27-S30 WeakPolarHBondContact O-CB 3.46Å; V27-S30 PolarHBondContact O-N 3.19Å; Y28-S30 PolarHBondContact O-N 3.22Å |
| 31 | G | 88.2 | Confident | 94.4 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | 5.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y28 R29 | Y28-G31 PolarHBondContact O-N 3.49Å; R29-G31 PolarHBondContact O-N 3.49Å |
| 32 | S | 86.9 | Confident | 94.4 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | trans | -92.9 | 106.8 | 178.7 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | V27 Y28 | V27-S32 PolarHBondContact O-N 3.13Å; Y28-S32 WeakPolarHBondContact CA-O 3.49Å | ||
| 33 | G | 86.1 | Confident | 94.4 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 44% | 0.443 | 27% | 0.27 | S | S | . | . | trans | -98.2 | 1.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 34 | L | 92.5 | Very high | 94.1 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 63% | 0.634 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -104.9 | 142.4 | -172.7 | -60 | 172.3 | 0 | 0 | 0 | 111.5 | Y38 M55 | L34-Y38 VanDerWaalsContact O-CE2 3.29Å; L34-Y38 WeakPolarHBondContact O-CE2 3.28Å; L34-Y38 PolarHBondContact O-OH 3.2Å; L34-M55 VanDerWaalsContact C-CG 3.42Å; L34-M55 WeakPolarHBondContact O-CE 3.42Å; L34-M55 WeakPolarHBondContact O-CG 3.37Å |
| 35 | D | 95.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | trans | -60.1 | 143.1 | 169.3 | -46.1 | -43.3 | 0 | 0 | 0 | 110 | Y52 C53 M55 K57 | D35-Y52 HydrophobicContact CB-CE1 4.2Å; D35-C53 VanDerWaalsContact CA-O 3.27Å; D35-C53 WeakPolarHBondContact CA-O 3.41Å; D35-M55 WeakPolarHBondContact OD1-CA 3.41Å; D35-M55 WeakPolarHBondContact OD1-CB 3.17Å; D35-M55 PolarHBondContact OD1-N 2.78Å; D35-K57 WeakPolarHBondContact OD2-CE 3.28Å; D35-K57 IonicContact OD2-NZ 3.66Å; D35-K57 PolarHBondContact OD2-NZ 3.09Å | ||
| 36 | G | 97.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.4 | -175.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y38 Y52 C53 | G36-Y38 VanDerWaalsContact O-CD2 3.26Å; G36-Y38 WeakPolarHBondContact O-CD2 3.4Å; G36-Y52 CarbonylContact O-C 3.46Å; G36-Y52 WeakPolarHBondContact O-CA 3.16Å; G36-C53 PolarHBondContact N-O 2.73Å; G36-C53 VanDerWaalsContact N-O 3.11Å; G36-C53 PolarHBondContact O-N 3.23Å |
| 37 | V | 98.5 | Very high | 93.8 | Very high | 57 Ų | 57 | 57 Ų | 57 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.1 | 177.2 | -180 | 0 | 0 | 0 | 0 | 109.7 | L50 A51 Y52 A94 A95 | V37-L50 HydrophobicContact CG1-CB 3.86Å; V37-L50 HydrophobicContact CG1-CD1 4.41Å; V37-L50 HydrophobicContact CG1-CD2 4.26Å; V37-L50 HydrophobicContact CG1-CG 4.4Å; V37-A51 WeakPolarHBondContact CA-O 3.44Å; V37-Y52 HydrophobicContact CG2-CD2 4.12Å; V37-A94 HydrophobicContact CB-CB 4.43Å; V37-A94 HydrophobicContact CG1-CB 3.81Å; V37-A94 HydrophobicContact CG2-CB 3.76Å; V37-A95 HydrophobicContact CG2-CB 3.96Å |
| 38 | Y | 98.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.2 | 177.9 | -64.1 | -93.4 | 0 | 0 | 0 | 110.7 | V27 L34 G36 L50 A51 C53 M55 | V27-Y38 HydrophobicContact CG1-CD1 3.53Å; V27-Y38 HydrophobicContact CG1-CD2 4.1Å; V27-Y38 HydrophobicContact CG1-CE1 3.85Å; V27-Y38 HydrophobicContact CG1-CE2 4.38Å; V27-Y38 HydrophobicContact CG1-CG 3.66Å; V27-Y38 HydrophobicContact CG2-CG 4.46Å; L34-Y38 VanDerWaalsContact O-CE2 3.29Å; L34-Y38 WeakPolarHBondContact O-CE2 3.28Å; L34-Y38 PolarHBondContact O-OH 3.2Å; G36-Y38 VanDerWaalsContact O-CD2 3.26Å; G36-Y38 WeakPolarHBondContact O-CD2 3.4Å; Y38-L50 WeakPolarHBondContact O-CA 3.35Å; Y38-A51 PolarHBondContact N-O 2.93Å; Y38-A51 PolarHBondContact O-N 3.39Å; Y38-C53 HydrophobicContact CD2-CB 3.66Å; Y38-C53 HydrophobicContact CE2-CB 4.01Å; Y38-M55 HydrophobicContact CD2-CE 4.21Å; Y38-M55 HydrophobicContact CE2-CE 3.66Å |
| 39 | A | 97.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 28% | 0.281 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y41 P48 V49 L50 | A39-Y41 HydrophobicContact CB-CE2 4.01Å; A39-P48 HydrophobicContact CB-CB 4.3Å; A39-V49 WeakPolarHBondContact CA-O 3.41Å; A39-L50 HydrophobicContact CB-CD2 4.19Å |
| 40 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 157.3 | 171.8 | 60.8 | 165.2 | 0 | 0 | 0 | 110.3 | P21 R22 V27 P42 P48 V49 A51 T68 L108 | P21-I40 CarbonylContact O-C 3.34Å; P21-I40 WeakPolarHBondContact O-CA 3.43Å; R22-I40 WeakPolarHBondContact O-CB 3.18Å; V27-I40 HydrophobicContact CG2-CG2 4.21Å; I40-P42 WeakPolarHBondContact O-CD 3.3Å; I40-P48 CarbonylContact O-C 3.49Å; I40-P48 WeakPolarHBondContact O-CA 3.47Å; I40-V49 HydrophobicContact CG1-CB 4.27Å; I40-V49 WeakPolarHBondContact CG1-O 3.48Å; I40-V49 PolarHBondContact N-O 3.46Å; I40-V49 PolarHBondContact O-N 3.32Å; I40-A51 HydrophobicContact CD1-CB 3.73Å; I40-A51 HydrophobicContact CG1-CB 4.04Å; I40-T68 HydrophobicContact CD1-CG2 4.28Å; I40-L108 HydrophobicContact CD1-CD1 4.37Å; I40-L108 HydrophobicContact CD1-CD2 4.47Å |
| 41 | Y | 97.4 | Very high | 94.8 | Very high | 37 Ų | 37 | 53 Ų | 53 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | trans | -129.5 | 57.4 | -168.6 | -64 | -101 | 0 | 0 | 0 | 113.2 | R20 P21 A39 A43 G44 P45 P48 | R20-Y41 HydrophobicContact CB-CD1 4.11Å; R20-Y41 HydrophobicContact CB-CD2 3.61Å; R20-Y41 HydrophobicContact CB-CE2 4.19Å; R20-Y41 HydrophobicContact CB-CG 3.56Å; R20-Y41 HydrophobicContact CG-CD1 4.17Å; R20-Y41 HydrophobicContact CG-CD2 4.27Å; R20-Y41 HydrophobicContact CG-CE1 4.32Å; R20-Y41 HydrophobicContact CG-CE2 4.45Å; R20-Y41 HydrophobicContact CG-CG 4.13Å; R20-Y41 PolarHBondContact NH1-OH 3.48Å; P21-Y41 HydrophobicContact CG-CD2 4.27Å; P21-Y41 HydrophobicContact CG-CE2 4.48Å; P21-Y41 PolarHBondContact O-N 2.97Å; A39-Y41 HydrophobicContact CB-CE2 4.01Å; Y41-A43 VanDerWaalsContact C-N 3.32Å; Y41-A43 PolarHBondContact O-N 2.86Å; Y41-G44 PolarHBondContact O-N 3.32Å; Y41-P45 WeakPolarHBondContact CD1-O 3.29Å; Y41-P45 WeakPolarHBondContact CE1-O 3.43Å; Y41-P48 HydrophobicContact CD1-CB 4.23Å; Y41-P48 HydrophobicContact CE1-CB 3.7Å; Y41-P48 HydrophobicContact CE1-CG 4.37Å | ||
| 42 | P | 96 | Very high | 95.3 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.7 | -174.9 | 23.9 | -30 | 0 | 0 | 0 | 114.1 | I40 V104 L107 L108 | I40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-V104 HydrophobicContact CG-CG1 3.82Å; P42-L107 HydrophobicContact CB-CB 4.12Å; P42-L108 HydrophobicContact CB-CD2 3.88Å; P42-L108 HydrophobicContact CB-CG 3.97Å |
| 43 | A | 94.4 | Very high | 95.8 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y41 L107 | Y41-A43 VanDerWaalsContact C-N 3.32Å; Y41-A43 PolarHBondContact O-N 2.86Å; A43-L107 HydrophobicContact CB-CD1 3.7Å |
| 44 | G | 92 | Very high | 96.3 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 24% | 0.237 | 30% | 0.3 | C | S | . | . | trans | 114.9 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y41 T46 S47 | Y41-G44 PolarHBondContact O-N 3.32Å; G44-T46 PolarHBondContact O-N 3.48Å; G44-S47 PolarHBondContact O-N 2.87Å | ||
| 45 | P | 91.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.6 | -161.4 | 26.7 | -36.1 | 0 | 0 | 0 | 115.8 | R20 Y41 | R20-P45 HydrophobicContact CG-CB 3.95Å; Y41-P45 WeakPolarHBondContact CD1-O 3.29Å; Y41-P45 WeakPolarHBondContact CE1-O 3.43Å |
| 46 | T | 93.1 | Very high | 95.4 | Very high | 126 Ų | 126 | 42.9 Ų | 42.9 | 77% | 0.773 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 0.5 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | G44 P48 | G44-T46 PolarHBondContact O-N 3.48Å; T46-P48 VanDerWaalsContact C-CD 3.47Å; T46-P48 VanDerWaalsContact O-CD 3.29Å; T46-P48 WeakPolarHBondContact O-CD 3.47Å |
| 47 | S | 95.1 | Very high | 94 | Very high | 54 Ų | 54 | 49 Ų | 49 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | trans | -122.8 | 72 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | G44 | G44-S47 PolarHBondContact O-N 2.87Š| ||
| 48 | P | 97.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | trans | -71.1 | 143 | -179 | 29.8 | -34.4 | 0 | 0 | 0 | 111.7 | A39 I40 Y41 T46 | A39-P48 HydrophobicContact CB-CB 4.3Å; I40-P48 CarbonylContact O-C 3.49Å; I40-P48 WeakPolarHBondContact O-CA 3.47Å; Y41-P48 HydrophobicContact CD1-CB 4.23Å; Y41-P48 HydrophobicContact CE1-CB 3.7Å; Y41-P48 HydrophobicContact CE1-CG 4.37Å; T46-P48 VanDerWaalsContact C-CD 3.47Å; T46-P48 VanDerWaalsContact O-CD 3.29Å; T46-P48 WeakPolarHBondContact O-CD 3.47Å | ||
| 49 | V | 97.9 | Very high | 90.7 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.5 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | A39 I40 L100 V104 | A39-V49 WeakPolarHBondContact CA-O 3.41Å; I40-V49 HydrophobicContact CG1-CB 4.27Å; I40-V49 WeakPolarHBondContact CG1-O 3.48Å; I40-V49 PolarHBondContact N-O 3.46Å; I40-V49 PolarHBondContact O-N 3.32Å; V49-L100 HydrophobicContact CG1-CD1 3.72Å; V49-V104 HydrophobicContact CG1-CG1 4.39Å; V49-V104 HydrophobicContact CG1-CG2 4.22Å; V49-V104 HydrophobicContact CG2-CG2 3.86Å |
| 50 | L | 98.5 | Very high | 88.5 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.5 | 176.4 | -63.4 | -178.4 | 0 | 0 | 0 | 109.9 | V37 Y38 A39 A94 | V37-L50 HydrophobicContact CG1-CB 3.86Å; V37-L50 HydrophobicContact CG1-CD1 4.41Å; V37-L50 HydrophobicContact CG1-CD2 4.26Å; V37-L50 HydrophobicContact CG1-CG 4.4Å; Y38-L50 WeakPolarHBondContact O-CA 3.35Å; A39-L50 HydrophobicContact CB-CD2 4.19Å; L50-A94 HydrophobicContact CB-CB 4.46Å |
| 51 | A | 98.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V37 Y38 I40 T68 L100 | V37-A51 WeakPolarHBondContact CA-O 3.44Å; Y38-A51 PolarHBondContact N-O 2.93Å; Y38-A51 PolarHBondContact O-N 3.39Å; I40-A51 HydrophobicContact CD1-CB 3.73Å; I40-A51 HydrophobicContact CG1-CB 4.04Å; A51-T68 HydrophobicContact CB-CG2 3.99Å; A51-L100 HydrophobicContact CB-CD1 4.04Å |
| 52 | Y | 98.6 | Very high | 84.9 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.2 | 169.3 | -167.2 | -79.1 | 0 | 0 | 0 | 109.3 | D35 G36 V37 D54 V69 R72 A94 Y98 | D35-Y52 HydrophobicContact CB-CE1 4.2Å; G36-Y52 CarbonylContact O-C 3.46Å; G36-Y52 WeakPolarHBondContact O-CA 3.16Å; V37-Y52 HydrophobicContact CG2-CD2 4.12Å; Y52-D54 HydrophobicContact CD1-CB 4.49Å; Y52-D54 HydrophobicContact CE1-CB 4.35Å; Y52-V69 HydrophobicContact CD1-CG2 3.97Å; Y52-V69 WeakPolarHBondContact O-CB 3.44Å; Y52-V69 WeakPolarHBondContact O-CG2 2.98Å; Y52-V69 PolarHBondContact O-N 3.01Å; Y52-R72 VanDerWaalsContact CE1-NH2 3.31Å; Y52-A94 WeakPolarHBondContact CB-O 3.33Å; Y52-A94 WeakPolarHBondContact CD2-O 3.49Å; Y52-Y98 WeakPolarHBondContact CB-OH 3.41Å; Y52-Y98 PolarHBondContact N-OH 3.49Å |
| 53 | C | 97.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | C24 D35 G36 Y38 M55 W67 | C24-C53 WeakPolarHBondContact CA-SG 3.28Å; C24-C53 HydrophobicContact CB-CB 3.52Å; C24-C53 WeakPolarHBondContact CB-SG 3.47Å; C24-C53 WeakPolarHBondContact SG-CA 3.38Å; C24-C53 WeakPolarHBondContact SG-CB 3.26Å; C24-C53 CovalentContact SG-SG 2.04Å; C24-C53 PolarHBondContact SG-SG 3.36Å; D35-C53 VanDerWaalsContact CA-O 3.27Å; D35-C53 WeakPolarHBondContact CA-O 3.41Å; G36-C53 PolarHBondContact N-O 2.73Å; G36-C53 VanDerWaalsContact N-O 3.11Å; G36-C53 PolarHBondContact O-N 3.23Å; Y38-C53 HydrophobicContact CD2-CB 3.66Å; Y38-C53 HydrophobicContact CE2-CB 4.01Å; C53-M55 HydrophobicContact CB-CE 3.37Å; C53-M55 HydrophobicContact CB-SD 4.01Å; C53-W67 WeakPolarHBondContact CA-O 3.42Å |
| 54 | D | 95.7 | Very high | 83.1 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.171 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.1 | 167.3 | 167.9 | 2.5 | 0 | 0 | 0 | 107.1 | Y52 G56 W67 V69 K233 | Y52-D54 HydrophobicContact CD1-CB 4.49Å; Y52-D54 HydrophobicContact CE1-CB 4.35Å; D54-G56 PolarHBondContact O-N 3Å; D54-G56 PolarHBondContact OD1-N 2.99Å; D54-W67 HydrophobicContact CB-CB 3.96Å; D54-W67 PolarHBondContact N-O 2.69Å; D54-W67 WeakPolarHBondContact O-CB 3.33Å; D54-W67 PolarHBondContact O-N 3.39Å; D54-V69 HydrophobicContact CB-CG2 4.49Å; D54-K233 IonicContact OD2-NZ 2.69Å; D54-K233 PolarHBondContact OD2-NZ 3.37Å |
| 55 | M | 92.1 | Very high | 83 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 5% | 0.054 | 41% | 0.407 | C | S | . | . | trans | -81.8 | 12.9 | -174.5 | -57.3 | -57.1 | -174.7 | 0 | 0 | 112.4 | V27 Y28 L34 D35 Y38 C53 K66 | V27-M55 HydrophobicContact CG1-CE 3.85Å; Y28-M55 HydrophobicContact CD2-SD 4.26Å; L34-M55 VanDerWaalsContact C-CG 3.42Å; L34-M55 WeakPolarHBondContact O-CE 3.42Å; L34-M55 WeakPolarHBondContact O-CG 3.37Å; D35-M55 WeakPolarHBondContact OD1-CA 3.41Å; D35-M55 WeakPolarHBondContact OD1-CB 3.17Å; D35-M55 PolarHBondContact OD1-N 2.78Å; Y38-M55 HydrophobicContact CD2-CE 4.21Å; Y38-M55 HydrophobicContact CE2-CE 3.66Å; C53-M55 HydrophobicContact CB-CE 3.37Å; C53-M55 HydrophobicContact CB-SD 4.01Å; M55-K66 HydrophobicContact CB-CD 4.34Å; M55-K66 VanDerWaalsContact O-CD 3.24Å; M55-K66 WeakPolarHBondContact O-CD 3.4Å; M55-K66 WeakPolarHBondContact O-CE 3.26Å; M55-K66 HydrophobicContact SD-CB 3.92Å; M55-K66 HydrophobicContact SD-CD 4.46Å; M55-K66 HydrophobicContact SD-CG 3.83Å | ||
| 56 | G | 77.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | trans | 71.8 | 36.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D54 D58 D59 | D54-G56 PolarHBondContact O-N 3Å; D54-G56 PolarHBondContact OD1-N 2.99Å; G56-D58 PolarHBondContact O-N 3.2Å; G56-D58 VanDerWaalsContact O-N 3.1Å; G56-D59 WeakPolarHBondContact O-CB 3.44Å; G56-D59 PolarHBondContact O-N 3.42Å | ||
| 57 | K | 67.3 | Low | 83.2 | Confident | 145 Ų | 145 | 55.9 Ų | 55.9 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.2 | 175.6 | -70.6 | 179.1 | -176.9 | 144.6 | 0 | 112.9 | D35 | D35-K57 WeakPolarHBondContact OD2-CE 3.28Å; D35-K57 IonicContact OD2-NZ 3.66Å; D35-K57 PolarHBondContact OD2-NZ 3.09Å |
| 58 | D | 61.6 | Low | 83.4 | Confident | 152 Ų | 152 | 53.3 Ų | 53.3 | 81% | 0.813 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 1.3 | -179.8 | -59.2 | -29.2 | 0 | 0 | 0 | 113.4 | G56 L60 | G56-D58 PolarHBondContact O-N 3.2Å; G56-D58 VanDerWaalsContact O-N 3.1Å; D58-L60 PolarHBondContact O-N 2.84Å |
| 59 | D | 66 | Low | 83.5 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | trans | -71.7 | 104.1 | 176.8 | -74.9 | -16.1 | 0 | 0 | 0 | 109.7 | G56 G61 G62 W67 R235 | G56-D59 WeakPolarHBondContact O-CB 3.44Å; G56-D59 PolarHBondContact O-N 3.42Å; D59-G61 VanDerWaalsContact C-N 3.3Å; D59-G61 PolarHBondContact O-N 3.38Å; D59-G62 PolarHBondContact O-N 3.2Å; D59-W67 PolarHBondContact OD1-NE1 2.83Å; D59-W67 PolarHBondContact OD2-NE1 3.22Å; D59-R235 IonicContact OD2-CZ 3.52Å; D59-R235 IonicContact OD2-NH1 3.78Å; D59-R235 PolarHBondContact OD2-NH1 3.26Å | ||
| 60 | L | 52.9 | Low | 83.5 | Confident | 186 Ų | 186 | 47.8 Ų | 47.8 | 97% | 0.974 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 89.2 | 170.7 | -64.5 | 171.9 | 0 | 0 | 0 | 109.3 | D58 | D58-L60 PolarHBondContact O-N 2.84Š|
| 61 | G | 55.6 | Low | 83.5 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139.1 | -5.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D59 S63 | D59-G61 VanDerWaalsContact C-N 3.3Å; D59-G61 PolarHBondContact O-N 3.38Å; G61-S63 PolarHBondContact O-N 3.03Å |
| 62 | G | 62.9 | Low | 83.6 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | trans | 62.2 | 41.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D59 A64 | D59-G62 PolarHBondContact O-N 3.2Å; G62-A64 PolarHBondContact O-N 2.84Å | ||
| 63 | S | 71.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 41 Ų | 41 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -45.8 | 136.9 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | G61 E65 K66 R235 | G61-S63 PolarHBondContact O-N 3.03Å; S63-E65 PolarHBondContact O-N 2.81Å; S63-E65 PolarHBondContact OG-N 2.95Å; S63-E65 PolarHBondContact OG-O 3.43Å; S63-K66 PolarHBondContact O-NZ 2.76Å; S63-R235 PolarHBondContact OG-NH1 3.42Å | ||
| 64 | A | 80.5 | Confident | 83.5 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 54% | 0.537 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -62.8 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y28 G62 K66 | Y28-A64 WeakPolarHBondContact CD1-O 3.45Å; G62-A64 PolarHBondContact O-N 2.84Å; A64-K66 PolarHBondContact O-NZ 3.43Å |
| 65 | E | 89.6 | Confident | 83.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -83 | 149.2 | -178.6 | -57 | -49.4 | 109.1 | 0 | 0 | 112.1 | S25 R29 S63 R235 P236 | S25-E65 WeakPolarHBondContact CB-OE2 3.46Å; S25-E65 VanDerWaalsContact OG-CA 3.29Å; S25-E65 WeakPolarHBondContact OG-CA 3.46Å; S25-E65 WeakPolarHBondContact OG-CB 3.32Å; S25-E65 PolarHBondContact OG-OE2 3.1Å; R29-E65 IonicContact CZ-OE1 2.66Å; R29-E65 IonicContact CZ-OE2 3.82Å; R29-E65 IonicContact NE-OE1 2.71Å; R29-E65 IonicContact NH1-OE2 3.32Å; R29-E65 IonicContact NH2-OE1 3.93Å; R29-E65 PolarHBondContact NH2-OE1 2.75Å; R29-E65 IonicContact NH2-OE2 2.68Å; R29-E65 PolarHBondContact NH2-OE2 3.1Å; S63-E65 PolarHBondContact O-N 2.81Å; S63-E65 PolarHBondContact OG-N 2.95Å; S63-E65 PolarHBondContact OG-O 3.43Å; E65-R235 VanDerWaalsContact C-CD 3.43Å; E65-R235 HydrophobicContact CB-CG 3.41Å; E65-R235 VanDerWaalsContact CB-CG 3.41Å; E65-R235 VanDerWaalsContact O-CD 3.27Å; E65-R235 WeakPolarHBondContact O-CD 2.85Å; E65-P236 HydrophobicContact CG-CB 4.32Å |
| 66 | K | 94.2 | Very high | 83.8 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | trans | -124.5 | 156.1 | -175.7 | -57.8 | -55.7 | -175.9 | -81.8 | 0 | 112.3 | C24 S25 Y28 M55 S63 A64 | C24-K66 HydrophobicContact CB-CB 4.45Å; S25-K66 PolarHBondContact OG-N 3.06Å; S25-K66 PolarHBondContact OG-O 3.49Å; Y28-K66 HydrophobicContact CD1-CG 4.01Å; Y28-K66 HydrophobicContact CD2-CD 4.31Å; Y28-K66 HydrophobicContact CD2-CG 3.94Å; Y28-K66 HydrophobicContact CG-CD 4.26Å; Y28-K66 HydrophobicContact CG-CG 3.54Å; M55-K66 HydrophobicContact CB-CD 4.34Å; M55-K66 VanDerWaalsContact O-CD 3.24Å; M55-K66 WeakPolarHBondContact O-CD 3.4Å; M55-K66 WeakPolarHBondContact O-CE 3.26Å; M55-K66 HydrophobicContact SD-CB 3.92Å; M55-K66 HydrophobicContact SD-CD 4.46Å; M55-K66 HydrophobicContact SD-CG 3.83Å; S63-K66 PolarHBondContact O-NZ 2.76Å; A64-K66 PolarHBondContact O-NZ 3.43Å | ||
| 67 | W | 96.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.3 | -171.5 | -65.2 | 104.3 | 0 | 0 | 0 | 111.2 | C24 C53 D54 D59 E115 R117 K233 R235 | C24-W67 WeakPolarHBondContact CB-O 3.48Å; C53-W67 WeakPolarHBondContact CA-O 3.42Å; D54-W67 HydrophobicContact CB-CB 3.96Å; D54-W67 PolarHBondContact N-O 2.69Å; D54-W67 WeakPolarHBondContact O-CB 3.33Å; D54-W67 PolarHBondContact O-N 3.39Å; D59-W67 PolarHBondContact OD1-NE1 2.83Å; D59-W67 PolarHBondContact OD2-NE1 3.22Å; W67-E115 HydrophobicContact CH2-CG 3.94Å; W67-E115 WeakPolarHBondContact CH2-OE1 3.42Å; W67-E115 HydrophobicContact CZ3-CG 4.1Å; W67-R117 HydrophobicContact CE3-CB 4.37Å; W67-R117 HydrophobicContact CH2-CB 3.55Å; W67-R117 HydrophobicContact CZ2-CB 4.12Å; W67-R117 HydrophobicContact CZ3-CB 3.69Å; W67-K233 HydrophobicContact CB-CB 4.14Å; W67-K233 HydrophobicContact CB-CD 3.82Å; W67-K233 HydrophobicContact CB-CG 4.11Å; W67-K233 HydrophobicContact CD2-CD 3.99Å; W67-K233 HydrophobicContact CD2-CG 3.88Å; W67-K233 HydrophobicContact CE3-CB 4.15Å; W67-K233 HydrophobicContact CE3-CD 4.26Å; W67-K233 HydrophobicContact CE3-CG 3.61Å; W67-K233 HydrophobicContact CG-CD 3.8Å; W67-K233 HydrophobicContact CG-CG 4.11Å; W67-K233 HydrophobicContact CZ3-CG 4.33Å; W67-K233 WeakPolarHBondContact CZ3-O 3.37Å; W67-R235 HydrophobicContact CD2-CB 3.84Å; W67-R235 HydrophobicContact CE3-CB 3.4Å; W67-R235 VanDerWaalsContact CE3-CB 3.4Å; W67-R235 HydrophobicContact CH2-CB 4.04Å; W67-R235 HydrophobicContact CZ2-CB 4.44Å; W67-R235 VanDerWaalsContact CZ2-CZ 3.42Å; W67-R235 HydrophobicContact CZ3-CB 3.51Å |
| 68 | T | 98.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.2 | 165.7 | -52.3 | 0 | 0 | 0 | 0 | 108.1 | C24 I40 A51 I70 L100 K233 I234 | C24-T68 WeakPolarHBondContact CB-OG1 3.46Å; C24-T68 PolarHBondContact N-OG1 3.2Å; C24-T68 PolarHBondContact SG-OG1 2.55Å; I40-T68 HydrophobicContact CD1-CG2 4.28Å; A51-T68 HydrophobicContact CB-CG2 3.99Å; T68-I70 PolarHBondContact O-N 3.3Å; T68-L100 HydrophobicContact CG2-CD2 4.43Å; T68-K233 CarbonylContact O-C 3.47Å; T68-K233 VanDerWaalsContact O-CA 3.31Å; T68-K233 WeakPolarHBondContact O-CA 3.48Å; T68-I234 PolarHBondContact N-O 2.75Å; T68-I234 PolarHBondContact O-N 2.94Å |
| 69 | V | 98.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.1 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | Y52 D54 Q71 R72 Y98 I231 K233 | Y52-V69 HydrophobicContact CD1-CG2 3.97Å; Y52-V69 WeakPolarHBondContact O-CB 3.44Å; Y52-V69 WeakPolarHBondContact O-CG2 2.98Å; Y52-V69 PolarHBondContact O-N 3.01Å; D54-V69 HydrophobicContact CB-CG2 4.49Å; V69-Q71 WeakPolarHBondContact CG1-O 3.44Å; V69-R72 HydrophobicContact CG1-CB 4.3Å; V69-Y98 HydrophobicContact CB-CE1 4.41Å; V69-Y98 VanDerWaalsContact CB-OH 3.31Å; V69-Y98 WeakPolarHBondContact CB-OH 3.34Å; V69-Y98 HydrophobicContact CG1-CE1 3.73Å; V69-Y98 WeakPolarHBondContact CG1-OH 3.43Å; V69-Y98 PolarHBondContact O-OH 3.05Å; V69-I231 HydrophobicContact CG1-CG2 3.9Å; V69-I231 HydrophobicContact CG2-CG2 4.07Å; V69-K233 HydrophobicContact CG2-CB 4.12Å |
| 70 | I | 98.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -20.3 | -178.9 | 61.7 | 165.4 | 0 | 0 | 0 | 112.3 | T68 L100 M105 L116 F135 M232 I234 | T68-I70 PolarHBondContact O-N 3.3Å; I70-L100 HydrophobicContact CB-CB 4.39Å; I70-L100 HydrophobicContact CB-CD2 4.39Å; I70-L100 HydrophobicContact CG2-CD2 3.84Å; I70-L100 WeakPolarHBondContact O-CB 3.31Å; I70-L100 PolarHBondContact O-N 2.89Å; I70-M105 HydrophobicContact CB-CE 3.87Å; I70-M105 HydrophobicContact CB-CG 4.37Å; I70-M105 HydrophobicContact CB-SD 4.17Å; I70-M105 HydrophobicContact CD1-CE 4.5Å; I70-M105 HydrophobicContact CD1-SD 3.96Å; I70-M105 HydrophobicContact CG2-CG 4.31Å; I70-M105 WeakPolarHBondContact O-CE 3.49Å; I70-L116 HydrophobicContact CD1-CD1 4.2Å; I70-F135 HydrophobicContact CD1-CE1 3.9Å; I70-F135 HydrophobicContact CD1-CE2 4.33Å; I70-F135 HydrophobicContact CD1-CZ 3.66Å; I70-M232 HydrophobicContact CD1-CB 4.14Å; I70-M232 HydrophobicContact CG1-CB 3.73Å; I70-M232 VanDerWaalsContact CG1-O 3.29Å; I70-M232 WeakPolarHBondContact CG1-O 2.99Å; I70-M232 PolarHBondContact N-O 2.95Å; I70-I234 HydrophobicContact CD1-CG2 3.87Å; I70-I234 HydrophobicContact CG1-CG2 4.43Å; I70-I234 HydrophobicContact CG2-CD1 3.87Å; I70-I234 HydrophobicContact CG2-CG1 3.81Å; I70-I234 HydrophobicContact CG2-CG2 4.28Å |
| 71 | Q | 98.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 141.9 | 175 | -171.5 | -93.7 | 25.9 | 0 | 0 | 109.7 | V69 R73 F80 Y98 W99 P200 N201 M230 I231 M232 | V69-Q71 WeakPolarHBondContact CG1-O 3.44Å; Q71-R73 VanDerWaalsContact NE2-CG 3.32Å; Q71-F80 HydrophobicContact CG-CE1 4.12Å; Q71-Y98 WeakPolarHBondContact CA-O 3.38Å; Q71-W99 HydrophobicContact CB-CE3 3.79Å; Q71-W99 HydrophobicContact CB-CZ3 3.98Å; Q71-W99 HydrophobicContact CG-CE3 3.65Å; Q71-W99 HydrophobicContact CG-CZ3 4Å; Q71-P200 PolarHBondContact NE2-O 2.88Å; Q71-N201 PolarHBondContact NE2-OD1 3.49Å; Q71-M230 PolarHBondContact OE1-O 3.14Å; Q71-M230 VanDerWaalsContact OE1-O 3.13Å; Q71-I231 WeakPolarHBondContact O-CA 3.33Å; Q71-M232 HydrophobicContact CB-CB 4.02Å; Q71-M232 HydrophobicContact CB-CG 4.23Å; Q71-M232 HydrophobicContact CB-SD 4.28Å; Q71-M232 PolarHBondContact N-O 2.9Å; Q71-M232 PolarHBondContact O-N 3.2Å |
| 72 | R | 98.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 131.3 | 171.7 | 178.3 | 173.9 | -59.1 | 159 | -3.1 | 111.6 | Y52 V69 G96 E97 Y98 M230 I231 | Y52-R72 VanDerWaalsContact CE1-NH2 3.31Å; V69-R72 HydrophobicContact CG1-CB 4.3Å; R72-G96 VanDerWaalsContact CD-O 3.3Å; R72-G96 WeakPolarHBondContact CD-O 3.29Å; R72-E97 VanDerWaalsContact O-CA 3.25Å; R72-E97 WeakPolarHBondContact O-CA 3.47Å; R72-E97 WeakPolarHBondContact O-CB 3.35Å; R72-Y98 HydrophobicContact CB-CD1 4.07Å; R72-Y98 HydrophobicContact CB-CE1 4.17Å; R72-Y98 PolarHBondContact N-O 2.81Å; R72-Y98 PolarHBondContact O-N 3.45Å; R72-M230 CarbonylContact C-O 3.48Å; R72-M230 WeakPolarHBondContact CA-O 3.21Å; R72-I231 HydrophobicContact CB-CG1 4.4Å; R72-I231 HydrophobicContact CG-CG1 3.95Å |
| 73 | R | 98.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.6 | 165.1 | -46.9 | -56.2 | -62.4 | -84 | 7.4 | 109.5 | Q71 F80 E97 P200 G202 V215 T229 M230 | Q71-R73 VanDerWaalsContact NE2-CG 3.32Å; R73-F80 VanDerWaalsContact CD-CE2 3.49Å; R73-F80 VanDerWaalsContact CZ-CD2 3.43Å; R73-F80 VanDerWaalsContact NE-CE2 3.28Å; R73-E97 WeakPolarHBondContact CA-OE1 3.22Å; R73-E97 IonicContact NE-OE1 2.93Å; R73-P200 WeakPolarHBondContact CG-O 3.38Å; R73-P200 PolarHBondContact NH1-O 3.2Å; R73-G202 PolarHBondContact NH1-O 3.4Å; R73-G202 PolarHBondContact NH2-O 3.26Å; R73-G202 VanDerWaalsContact NH2-O 3.16Å; R73-V215 HydrophobicContact CB-CG1 4.44Å; R73-V215 HydrophobicContact CG-CG1 4.2Å; R73-V215 HydrophobicContact CG-CG2 4.41Å; R73-T229 VanDerWaalsContact O-CA 3.29Å; R73-T229 WeakPolarHBondContact O-CA 3.44Å; R73-M230 HydrophobicContact CB-CB 4.4Å; R73-M230 HydrophobicContact CG-CB 4.43Å; R73-M230 PolarHBondContact N-O 3.21Å; R73-M230 PolarHBondContact O-N 2.86Å; R73-M230 VanDerWaalsContact O-N 3.09Å |
| 74 | Q | 97.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -160.1 | -23.6 | -178.3 | 67.5 | 179.4 | 22.7 | 0 | 0 | 115.3 | E97 Y204 K228 T229 | Q74-E97 HydrophobicContact CG-CG 3.8Å; Q74-E97 PolarHBondContact N-OE1 3.33Å; Q74-Y204 PolarHBondContact O-OH 2.84Å; Q74-Y204 VanDerWaalsContact O-OH 3.06Å; Q74-K228 WeakPolarHBondContact CA-O 3.34Å; Q74-T229 HydrophobicContact CB-CG2 4.33Å |
| 75 | D | 97 | Very high | 97.4 | Very high | 48 Ų | 48 | 38 Ų | 38 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -152.3 | -6.5 | -168.2 | 58 | 30.8 | 0 | 0 | 0 | 115.1 | T77 E97 W206 | D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 HydrophobicContact CB-CG2 4.28Å; D75-T77 PolarHBondContact O-N 3.43Å; D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.26Å; D75-T77 PolarHBondContact OD1-N 3Å; D75-T77 PolarHBondContact OD1-OG1 2.86Å; D75-E97 PolarHBondContact N-OE1 2.95Å; D75-E97 VanDerWaalsContact OD1-CD 3.32Å; D75-E97 WeakPolarHBondContact OD1-CG 3.39Å; D75-W206 WeakPolarHBondContact O-CZ2 3.47Å |
| 76 | G | 96.8 | Very high | 97.9 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 71 | 15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V78 E97 Y204 | G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 2.92Å; G76-E97 WeakPolarHBondContact CA-OE2 3.49Å; G76-E97 VanDerWaalsContact N-CD 3.28Å; G76-E97 PolarHBondContact N-OE1 3.07Å; G76-E97 PolarHBondContact N-OE2 2.88Å; G76-Y204 VanDerWaalsContact CA-CG 3.44Å |
| 77 | T | 97.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 63% | 0.632 | 22% | 0.215 | S | C | * | . | trans | -73.3 | -18.5 | 179.7 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | D75 E97 | D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 HydrophobicContact CB-CG2 4.28Å; D75-T77 PolarHBondContact O-N 3.43Å; D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.26Å; D75-T77 PolarHBondContact OD1-N 3Å; D75-T77 PolarHBondContact OD1-OG1 2.86Å; T77-E97 PolarHBondContact N-OE2 3.28Å | ||
| 78 | V | 98.1 | Very high | 98.2 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -112.6 | 133.7 | -179.5 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | G76 F80 F91 E97 | G76-V78 VanDerWaalsContact C-N 3.27Å; G76-V78 PolarHBondContact O-N 2.92Å; V78-F80 HydrophobicContact CB-CD2 4.43Å; V78-F80 HydrophobicContact CB-CE2 3.99Å; V78-F80 HydrophobicContact CG1-CD2 4.16Å; V78-F80 HydrophobicContact CG1-CE2 3.84Å; V78-F80 WeakPolarHBondContact O-CD2 3.41Å; V78-F80 PolarHBondContact O-N 3.46Å; V78-F91 HydrophobicContact CG1-CD2 3.83Å; V78-F91 HydrophobicContact CG1-CE2 4.09Å; V78-E97 HydrophobicContact CB-CB 3.82Å; V78-E97 HydrophobicContact CG2-CB 3.82Å; V78-E97 WeakPolarHBondContact CG2-O 3.46Å; V78-E97 PolarHBondContact N-OE2 2.04Å; V78-E97 VanDerWaalsContact N-OE2 3.13Å |
| 79 | N | 97.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 48 Ų | 48 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | trans | -75.9 | 121 | 173.5 | -178.7 | 24 | 0 | 0 | 0 | 110.5 | F81 M82 | N79-F81 PolarHBondContact ND2-O 3.2Å; N79-F81 WeakPolarHBondContact OD1-CB 2.97Å; N79-F81 PolarHBondContact OD1-N 3.5Å; N79-M82 HydrophobicContact CB-SD 4.49Å; N79-M82 VanDerWaalsContact O-CG 3.27Å; N79-M82 WeakPolarHBondContact O-CG 3.29Å | ||
| 80 | F | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | trans | -99.1 | -5.7 | 173.5 | -79.8 | -110.1 | 0 | 0 | 0 | 112.9 | Q71 R73 V78 M82 Y87 F91 E97 W99 N201 | Q71-F80 HydrophobicContact CG-CE1 4.12Å; R73-F80 VanDerWaalsContact CD-CE2 3.49Å; R73-F80 VanDerWaalsContact CZ-CD2 3.43Å; R73-F80 VanDerWaalsContact NE-CE2 3.28Å; V78-F80 HydrophobicContact CB-CD2 4.43Å; V78-F80 HydrophobicContact CB-CE2 3.99Å; V78-F80 HydrophobicContact CG1-CD2 4.16Å; V78-F80 HydrophobicContact CG1-CE2 3.84Å; V78-F80 WeakPolarHBondContact O-CD2 3.41Å; V78-F80 PolarHBondContact O-N 3.46Å; F80-M82 PolarHBondContact O-N 3.37Å; F80-Y87 PolarHBondContact O-OH 3.02Å; F80-F91 AromaticContact CD1-CE2 3.77Å; F80-F91 HydrophobicContact CD1-CE2 3.77Å; F80-F91 AromaticContact CD1-CZ 3.72Å; F80-F91 HydrophobicContact CD1-CZ 3.72Å; F80-F91 HydrophobicContact CD2-CE2 4.06Å; F80-F91 AromaticContact CE1-CE2 3.88Å; F80-F91 HydrophobicContact CE1-CE2 3.88Å; F80-F91 HydrophobicContact CE1-CZ 4.05Å; F80-F91 HydrophobicContact CE2-CE2 4.16Å; F80-F91 AromaticContact CG-CE2 3.87Å; F80-F91 HydrophobicContact CG-CE2 3.87Å; F80-F91 HydrophobicContact CG-CZ 4.1Å; F80-F91 HydrophobicContact CZ-CE2 4.08Å; F80-E97 HydrophobicContact CE2-CB 4.21Å; F80-W99 HydrophobicContact CE1-CB 4.23Å; F80-N201 HydrophobicContact CB-CB 4.38Å; F80-N201 VanDerWaalsContact CB-O 3.27Å; F80-N201 WeakPolarHBondContact CB-O 3.37Å; F80-N201 HydrophobicContact CD1-CB 4.02Å; F80-N201 WeakPolarHBondContact CD1-OD1 3.34Å | ||
| 81 | F | 97.7 | Very high | 98.2 | Very high | 83 Ų | 83 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -78.2 | 70.4 | 172.4 | -169.3 | -127.3 | 0 | 0 | 0 | 110.7 | N79 T171 A183 Y187 | N79-F81 PolarHBondContact ND2-O 3.2Å; N79-F81 WeakPolarHBondContact OD1-CB 2.97Å; N79-F81 PolarHBondContact OD1-N 3.5Å; F81-T171 HydrophobicContact CD2-CG2 3.58Å; F81-T171 HydrophobicContact CE1-CG2 4.33Å; F81-T171 HydrophobicContact CE2-CG2 3.09Å; F81-T171 HydrophobicContact CG-CG2 4.41Å; F81-T171 HydrophobicContact CZ-CG2 3.52Å; F81-A183 WeakPolarHBondContact CE2-O 3.43Å; F81-Y187 VanDerWaalsContact CD2-C 3.44Å; F81-Y187 VanDerWaalsContact CD2-CA 3.49Å; F81-Y187 HydrophobicContact CE2-CD1 4.24Å; F81-Y187 HydrophobicContact CZ-CD1 4.32Å | ||
| 82 | M | 97.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | trans | -114.2 | 162.8 | -169.9 | -60.7 | -64.4 | -92.2 | 0 | 0 | 112.1 | N79 F80 H86 Y87 F91 | N79-M82 HydrophobicContact CB-SD 4.49Å; N79-M82 VanDerWaalsContact O-CG 3.27Å; N79-M82 WeakPolarHBondContact O-CG 3.29Å; F80-M82 PolarHBondContact O-N 3.37Å; M82-H86 HydrophobicContact CB-CB 3.96Å; M82-H86 HydrophobicContact CE-CB 4.03Å; M82-Y87 HydrophobicContact CB-CD2 4.05Å; M82-Y87 HydrophobicContact CB-CE2 3.85Å; M82-F91 HydrophobicContact CB-CE1 4.25Å; M82-F91 HydrophobicContact CB-CZ 4.48Å; M82-F91 HydrophobicContact CG-CD1 4.47Å; M82-F91 HydrophobicContact CG-CE1 4.2Å; M82-F91 HydrophobicContact CG-CE2 4.29Å; M82-F91 HydrophobicContact CG-CZ 4.1Å | ||
| 83 | K | 98.6 | Very high | 98.1 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | trans | -84.3 | 167.9 | 177.4 | -69.2 | -175.2 | -178.1 | -178.2 | 0 | 112.5 | D85 H86 Y87 D172 | K83-D85 PolarHBondContact O-N 3.32Å; K83-H86 PolarHBondContact O-N 2.94Å; K83-Y87 PolarHBondContact O-N 2.94Å; K83-D172 VanDerWaalsContact CA-OD1 3.28Å; K83-D172 WeakPolarHBondContact CA-OD1 3.16Å; K83-D172 WeakPolarHBondContact CB-OD1 3.41Å; K83-D172 WeakPolarHBondContact CB-OD2 3.36Å; K83-D172 HydrophobicContact CG-CB 4.42Å | ||
| 84 | W | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -46 | -53.8 | -179.9 | -176.8 | -102 | 0 | 0 | 0 | 113.7 | H86 Y87 K88 E140 Y144 F168 T170 D172 K173 | W84-H86 VanDerWaalsContact C-N 3.26Å; W84-H86 PolarHBondContact O-N 3.26Å; W84-Y87 PolarHBondContact O-N 2.76Å; W84-Y87 VanDerWaalsContact O-N 3.07Å; W84-K88 WeakPolarHBondContact O-CB 3.43Å; W84-K88 PolarHBondContact O-N 3.3Å; W84-E140 HydrophobicContact CZ2-CG 4.2Å; W84-E140 PolarHBondContact NE1-OE1 3.11Å; W84-Y144 AromaticContact CH2-CD2 3.6Å; W84-Y144 HydrophobicContact CH2-CD2 3.6Å; W84-Y144 HydrophobicContact CH2-CE2 4.26Å; W84-Y144 AromaticContact CZ2-CD2 3.42Å; W84-Y144 HydrophobicContact CZ2-CD2 3.42Å; W84-Y144 VanDerWaalsContact CZ2-CD2 3.42Å; W84-Y144 AromaticContact CZ2-CE2 3.6Å; W84-Y144 HydrophobicContact CZ2-CE2 3.6Å; W84-F168 HydrophobicContact CH2-CB 4.32Å; W84-F168 HydrophobicContact CZ3-CB 4.01Å; W84-F168 HydrophobicContact CZ3-CD1 4.12Å; W84-F168 WeakPolarHBondContact CZ3-O 3.24Å; W84-T170 HydrophobicContact CE3-CG2 4.14Å; W84-T170 PolarHBondContact N-OG1 2.67Å; W84-D172 PolarHBondContact N-OD1 3.23Å; W84-K173 HydrophobicContact CB-CB 4.31Å; W84-K173 HydrophobicContact CD2-CB 4.33Å; W84-K173 HydrophobicContact CD2-CD 3.37Å; W84-K173 HydrophobicContact CD2-CG 4.49Å; W84-K173 HydrophobicContact CE3-CB 3.98Å; W84-K173 HydrophobicContact CE3-CD 3.46Å; W84-K173 VanDerWaalsContact CE3-CD 3.46Å; W84-K173 HydrophobicContact CE3-CG 4.27Å; W84-K173 HydrophobicContact CG-CB 4.49Å; W84-K173 HydrophobicContact CG-CD 3.86Å; W84-K173 HydrophobicContact CH2-CD 3.98Å; W84-K173 HydrophobicContact CZ2-CD 3.95Å; W84-K173 HydrophobicContact CZ3-CD 3.75Å |
| 85 | D | 98.8 | Very high | 98.1 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.7 | -34.1 | -173 | -72.5 | -17.2 | 0 | 0 | 0 | 112.8 | K83 K88 S89 | K83-D85 PolarHBondContact O-N 3.32Å; D85-K88 PolarHBondContact O-N 2.93Å; D85-S89 WeakPolarHBondContact O-CB 3.42Å; D85-S89 PolarHBondContact O-N 3.06Å; D85-S89 PolarHBondContact O-OG 2.9Å; D85-S89 VanDerWaalsContact O-OG 3.09Å |
| 86 | H | 98.7 | Very high | 98.2 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.6 | -44 | 175.2 | -68.9 | -70.7 | 0 | 0 | 0 | 111.7 | M82 K83 W84 K88 S89 G90 F91 | M82-H86 HydrophobicContact CB-CB 3.96Å; M82-H86 HydrophobicContact CE-CB 4.03Å; K83-H86 PolarHBondContact O-N 2.94Å; W84-H86 VanDerWaalsContact C-N 3.26Å; W84-H86 PolarHBondContact O-N 3.26Å; H86-K88 VanDerWaalsContact C-N 3.26Å; H86-K88 PolarHBondContact O-N 3.41Å; H86-S89 PolarHBondContact O-N 2.93Å; H86-S89 PolarHBondContact O-OG 2.94Å; H86-G90 CarbonylContact O-C 3.54Å; H86-G90 WeakPolarHBondContact O-CA 3.29Å; H86-G90 PolarHBondContact O-N 3.19Å; H86-F91 HydrophobicContact CB-CD1 4.07Å; H86-F91 WeakPolarHBondContact O-CD1 3.33Å |
| 87 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -33.6 | 175.4 | -89.4 | -74.7 | 0 | 0 | 0 | 112.4 | F80 M82 K83 W84 F91 W99 G101 L102 F168 T170 G189 N201 | F80-Y87 PolarHBondContact O-OH 3.02Å; M82-Y87 HydrophobicContact CB-CD2 4.05Å; M82-Y87 HydrophobicContact CB-CE2 3.85Å; K83-Y87 PolarHBondContact O-N 2.94Å; W84-Y87 PolarHBondContact O-N 2.76Å; W84-Y87 VanDerWaalsContact O-N 3.07Å; Y87-F91 AromaticContact CD1-CE1 3.85Å; Y87-F91 HydrophobicContact CD1-CE1 3.85Å; Y87-F91 HydrophobicContact CD1-CZ 4.37Å; Y87-F91 HydrophobicContact CD2-CE1 4.26Å; Y87-F91 AromaticContact CE1-CE1 3.83Å; Y87-F91 HydrophobicContact CE1-CE1 3.83Å; Y87-F91 AromaticContact CE1-CZ 3.88Å; Y87-F91 HydrophobicContact CE1-CZ 3.88Å; Y87-F91 HydrophobicContact CE2-CE1 4.27Å; Y87-F91 HydrophobicContact CE2-CZ 4.42Å; Y87-F91 HydrophobicContact CG-CE1 4.06Å; Y87-F91 AromaticContact CZ-CZ 3.93Å; Y87-W99 AromaticContact CD1-CD1 3.78Å; Y87-W99 AromaticContact CD1-CD2 4Å; Y87-W99 HydrophobicContact CD1-CD2 4Å; Y87-W99 AromaticContact CD1-CE2 3.7Å; Y87-W99 HydrophobicContact CD1-CG 4.06Å; Y87-W99 HydrophobicContact CD1-CZ2 4.22Å; Y87-W99 AromaticContact CD1-NE1 3.57Å; Y87-W99 HydrophobicContact CE1-CD2 4.09Å; Y87-W99 HydrophobicContact CE1-CE3 4.49Å; Y87-W99 HydrophobicContact CE1-CG 4.25Å; Y87-W99 PolarHBondContact O-NE1 2.77Å; Y87-G101 WeakPolarHBondContact O-CA 3.5Å; Y87-L102 WeakPolarHBondContact O-CG 3.44Å; Y87-L102 PolarHBondContact O-N 2.64Å; Y87-F168 AromaticContact CD1-CE1 3.61Å; Y87-F168 HydrophobicContact CD1-CE1 3.61Å; Y87-F168 AromaticContact CD1-CZ 3.47Å; Y87-F168 HydrophobicContact CD1-CZ 3.47Å; Y87-F168 VanDerWaalsContact CD1-CZ 3.47Å; Y87-F168 HydrophobicContact CD2-CE1 4.17Å; Y87-F168 HydrophobicContact CE1-CE1 4.18Å; Y87-F168 AromaticContact CE1-CZ 3.79Å; Y87-F168 HydrophobicContact CE1-CZ 3.79Å; Y87-F168 AromaticContact CG-CE1 3.6Å; Y87-F168 HydrophobicContact CG-CE1 3.6Å; Y87-F168 AromaticContact CG-CZ 3.99Å; Y87-F168 HydrophobicContact CG-CZ 3.99Å; Y87-T170 HydrophobicContact CD2-CG2 3.54Å; Y87-T170 HydrophobicContact CE2-CG2 4.2Å; Y87-T170 HydrophobicContact CG-CG2 4.07Å; Y87-G189 PolarHBondContact OH-N 3.27Å; Y87-G189 PolarHBondContact OH-O 2.95Å; Y87-N201 WeakPolarHBondContact OH-CB 3.45Å |
| 88 | K | 98.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -53 | 172.6 | 172.1 | 171.4 | 178 | 178.2 | 0 | 111.8 | W84 D85 H86 G101 L102 E103 E140 Y144 | W84-K88 WeakPolarHBondContact O-CB 3.43Å; W84-K88 PolarHBondContact O-N 3.3Å; D85-K88 PolarHBondContact O-N 2.93Å; H86-K88 VanDerWaalsContact C-N 3.26Å; H86-K88 PolarHBondContact O-N 3.41Å; K88-G101 CarbonylContact O-C 3.57Å; K88-L102 PolarHBondContact O-N 3.41Å; K88-E103 HydrophobicContact CG-CB 4.39Å; K88-E103 PolarHBondContact O-N 2.8Å; K88-E140 WeakPolarHBondContact CD-OE1 3.43Å; K88-E140 WeakPolarHBondContact CE-OE2 3.45Å; K88-E140 VanDerWaalsContact NZ-CD 3.27Å; K88-E140 IonicContact NZ-OE1 3.23Å; K88-E140 PolarHBondContact NZ-OE1 2.63Å; K88-E140 IonicContact NZ-OE2 2.64Å; K88-E140 PolarHBondContact NZ-OE2 2.58Å; K88-Y144 HydrophobicContact CB-CE2 4.42Å; K88-Y144 HydrophobicContact CD-CE2 4.46Å; K88-Y144 WeakPolarHBondContact CE-OH 3.4Å; K88-Y144 HydrophobicContact CG-CE2 4.3Å; K88-Y144 WeakPolarHBondContact CG-OH 3.26Å |
| 89 | S | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 57% | 0.573 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -79.1 | -24.6 | -174.3 | 66 | 0 | 0 | 0 | 0 | 114.7 | D85 H86 | D85-S89 WeakPolarHBondContact O-CB 3.42Å; D85-S89 PolarHBondContact O-N 3.06Å; D85-S89 PolarHBondContact O-OG 2.9Å; D85-S89 VanDerWaalsContact O-OG 3.09Å; H86-S89 PolarHBondContact O-N 2.93Å; H86-S89 PolarHBondContact O-OG 2.94Å |
| 90 | G | 98.7 | Very high | 98.5 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | trans | 92.9 | 156.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H86 W99 | H86-G90 CarbonylContact O-C 3.54Å; H86-G90 WeakPolarHBondContact O-CA 3.29Å; H86-G90 PolarHBondContact O-N 3.19Å; G90-W99 CarbonylContact C-O 3.52Å; G90-W99 WeakPolarHBondContact CA-O 3.49Å | ||
| 91 | F | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 164.2 | 178.8 | 58.8 | -94.1 | 0 | 0 | 0 | 111.6 | V78 F80 M82 H86 Y87 Y98 W99 | V78-F91 HydrophobicContact CG1-CD2 3.83Å; V78-F91 HydrophobicContact CG1-CE2 4.09Å; F80-F91 AromaticContact CD1-CE2 3.77Å; F80-F91 HydrophobicContact CD1-CE2 3.77Å; F80-F91 AromaticContact CD1-CZ 3.72Å; F80-F91 HydrophobicContact CD1-CZ 3.72Å; F80-F91 HydrophobicContact CD2-CE2 4.06Å; F80-F91 AromaticContact CE1-CE2 3.88Å; F80-F91 HydrophobicContact CE1-CE2 3.88Å; F80-F91 HydrophobicContact CE1-CZ 4.05Å; F80-F91 HydrophobicContact CE2-CE2 4.16Å; F80-F91 AromaticContact CG-CE2 3.87Å; F80-F91 HydrophobicContact CG-CE2 3.87Å; F80-F91 HydrophobicContact CG-CZ 4.1Å; F80-F91 HydrophobicContact CZ-CE2 4.08Å; M82-F91 HydrophobicContact CB-CE1 4.25Å; M82-F91 HydrophobicContact CB-CZ 4.48Å; M82-F91 HydrophobicContact CG-CD1 4.47Å; M82-F91 HydrophobicContact CG-CE1 4.2Å; M82-F91 HydrophobicContact CG-CE2 4.29Å; M82-F91 HydrophobicContact CG-CZ 4.1Å; H86-F91 HydrophobicContact CB-CD1 4.07Å; H86-F91 WeakPolarHBondContact O-CD1 3.33Å; Y87-F91 AromaticContact CD1-CE1 3.85Å; Y87-F91 HydrophobicContact CD1-CE1 3.85Å; Y87-F91 HydrophobicContact CD1-CZ 4.37Å; Y87-F91 HydrophobicContact CD2-CE1 4.26Å; Y87-F91 AromaticContact CE1-CE1 3.83Å; Y87-F91 HydrophobicContact CE1-CE1 3.83Å; Y87-F91 AromaticContact CE1-CZ 3.88Å; Y87-F91 HydrophobicContact CE1-CZ 3.88Å; Y87-F91 HydrophobicContact CE2-CE1 4.27Å; Y87-F91 HydrophobicContact CE2-CZ 4.42Å; Y87-F91 HydrophobicContact CG-CE1 4.06Å; Y87-F91 AromaticContact CZ-CZ 3.93Å; F91-Y98 VanDerWaalsContact O-CA 3.31Å; F91-Y98 WeakPolarHBondContact O-CA 3.27Å; F91-Y98 VanDerWaalsContact O-CB 3.3Å; F91-Y98 WeakPolarHBondContact O-CB 3.3Å; F91-W99 HydrophobicContact CD1-CB 4.03Å; F91-W99 HydrophobicContact CD1-CG 4.47Å; F91-W99 HydrophobicContact CD2-CB 4.35Å; F91-W99 HydrophobicContact CE1-CB 3.65Å; F91-W99 AromaticContact CE1-CD1 3.93Å; F91-W99 AromaticContact CE1-CG 3.95Å; F91-W99 HydrophobicContact CE1-CG 3.95Å; F91-W99 HydrophobicContact CE2-CB 4Å; F91-W99 HydrophobicContact CG-CB 4.37Å; F91-W99 HydrophobicContact CZ-CB 3.64Å; F91-W99 HydrophobicContact CZ-CG 4.24Å; F91-W99 PolarHBondContact N-O 2.89Å; F91-W99 PolarHBondContact O-N 2.95Å |
| 92 | G | 98.4 | Very high | 98.6 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.5 | -158.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E97 | G92-E97 WeakPolarHBondContact CA-O 3.31Å |
| 93 | N | 98.1 | Very high | 98.6 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | trans | -129.6 | 125.1 | -179.3 | -174.8 | -26.5 | 0 | 0 | 0 | 110.3 | A95 G96 E97 | N93-A95 PolarHBondContact O-N 2.89Å; N93-A95 WeakPolarHBondContact OD1-CB 3.42Å; N93-A95 PolarHBondContact OD1-N 2.91Å; N93-G96 CarbonylContact O-C 3.57Å; N93-G96 WeakPolarHBondContact O-CA 3.4Å; N93-G96 PolarHBondContact O-N 2.78Å; N93-E97 PolarHBondContact N-O 3.09Å | ||
| 94 | A | 98.3 | Very high | 98.6 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V37 L50 Y52 G96 Y98 | V37-A94 HydrophobicContact CB-CB 4.43Å; V37-A94 HydrophobicContact CG1-CB 3.81Å; V37-A94 HydrophobicContact CG2-CB 3.76Å; L50-A94 HydrophobicContact CB-CB 4.46Å; Y52-A94 WeakPolarHBondContact CB-O 3.33Å; Y52-A94 WeakPolarHBondContact CD2-O 3.49Å; A94-G96 VanDerWaalsContact C-N 3.33Å; A94-Y98 HydrophobicContact CB-CD2 4.46Å; A94-Y98 HydrophobicContact CB-CE1 4.39Å; A94-Y98 HydrophobicContact CB-CE2 4.18Å |
| 95 | A | 97.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 34 Ų | 34 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V37 N93 | V37-A95 HydrophobicContact CG2-CB 3.96Å; N93-A95 PolarHBondContact O-N 2.89Å; N93-A95 WeakPolarHBondContact OD1-CB 3.42Å; N93-A95 PolarHBondContact OD1-N 2.91Å |
| 96 | G | 98.3 | Very high | 98.6 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -137.3 | -137 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R72 N93 A94 | R72-G96 VanDerWaalsContact CD-O 3.3Å; R72-G96 WeakPolarHBondContact CD-O 3.29Å; N93-G96 CarbonylContact O-C 3.57Å; N93-G96 WeakPolarHBondContact O-CA 3.4Å; N93-G96 PolarHBondContact O-N 2.78Å; A94-G96 VanDerWaalsContact C-N 3.33Å |
| 97 | E | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -75.4 | 134.7 | 173.9 | -63.7 | -166.3 | 146.9 | 0 | 0 | 112 | R72 R73 Q74 D75 G76 T77 V78 F80 G92 N93 | R72-E97 VanDerWaalsContact O-CA 3.25Å; R72-E97 WeakPolarHBondContact O-CA 3.47Å; R72-E97 WeakPolarHBondContact O-CB 3.35Å; R73-E97 WeakPolarHBondContact CA-OE1 3.22Å; R73-E97 IonicContact NE-OE1 2.93Å; Q74-E97 HydrophobicContact CG-CG 3.8Å; Q74-E97 PolarHBondContact N-OE1 3.33Å; D75-E97 PolarHBondContact N-OE1 2.95Å; D75-E97 VanDerWaalsContact OD1-CD 3.32Å; D75-E97 WeakPolarHBondContact OD1-CG 3.39Å; G76-E97 WeakPolarHBondContact CA-OE2 3.49Å; G76-E97 VanDerWaalsContact N-CD 3.28Å; G76-E97 PolarHBondContact N-OE1 3.07Å; G76-E97 PolarHBondContact N-OE2 2.88Å; T77-E97 PolarHBondContact N-OE2 3.28Å; V78-E97 HydrophobicContact CB-CB 3.82Å; V78-E97 HydrophobicContact CG2-CB 3.82Å; V78-E97 WeakPolarHBondContact CG2-O 3.46Å; V78-E97 PolarHBondContact N-OE2 2.04Å; V78-E97 VanDerWaalsContact N-OE2 3.13Å; F80-E97 HydrophobicContact CE2-CB 4.21Å; G92-E97 WeakPolarHBondContact CA-O 3.31Å; N93-E97 PolarHBondContact N-O 3.09Å |
| 98 | Y | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 166.6 | 177.5 | 78.6 | -68.2 | 0 | 0 | 0 | 113.6 | Y52 V69 Q71 R72 F91 A94 L100 | Y52-Y98 WeakPolarHBondContact CB-OH 3.41Å; Y52-Y98 PolarHBondContact N-OH 3.49Å; V69-Y98 HydrophobicContact CB-CE1 4.41Å; V69-Y98 VanDerWaalsContact CB-OH 3.31Å; V69-Y98 WeakPolarHBondContact CB-OH 3.34Å; V69-Y98 HydrophobicContact CG1-CE1 3.73Å; V69-Y98 WeakPolarHBondContact CG1-OH 3.43Å; V69-Y98 PolarHBondContact O-OH 3.05Å; Q71-Y98 WeakPolarHBondContact CA-O 3.38Å; R72-Y98 HydrophobicContact CB-CD1 4.07Å; R72-Y98 HydrophobicContact CB-CE1 4.17Å; R72-Y98 PolarHBondContact N-O 2.81Å; R72-Y98 PolarHBondContact O-N 3.45Å; F91-Y98 VanDerWaalsContact O-CA 3.31Å; F91-Y98 WeakPolarHBondContact O-CA 3.27Å; F91-Y98 VanDerWaalsContact O-CB 3.3Å; F91-Y98 WeakPolarHBondContact O-CB 3.3Å; A94-Y98 HydrophobicContact CB-CD2 4.46Å; A94-Y98 HydrophobicContact CB-CE1 4.39Å; A94-Y98 HydrophobicContact CB-CE2 4.18Å; Y98-L100 HydrophobicContact CE2-CB 4.17Å; Y98-L100 HydrophobicContact CE2-CD1 4.2Å |
| 99 | W | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.7 | 167.7 | 176.8 | -102.6 | 0 | 0 | 0 | 108.3 | Q71 F80 Y87 G90 F91 G101 L102 M105 F168 W191 | Q71-W99 HydrophobicContact CB-CE3 3.79Å; Q71-W99 HydrophobicContact CB-CZ3 3.98Å; Q71-W99 HydrophobicContact CG-CE3 3.65Å; Q71-W99 HydrophobicContact CG-CZ3 4Å; F80-W99 HydrophobicContact CE1-CB 4.23Å; Y87-W99 AromaticContact CD1-CD1 3.78Å; Y87-W99 AromaticContact CD1-CD2 4Å; Y87-W99 HydrophobicContact CD1-CD2 4Å; Y87-W99 AromaticContact CD1-CE2 3.7Å; Y87-W99 HydrophobicContact CD1-CG 4.06Å; Y87-W99 HydrophobicContact CD1-CZ2 4.22Å; Y87-W99 AromaticContact CD1-NE1 3.57Å; Y87-W99 HydrophobicContact CE1-CD2 4.09Å; Y87-W99 HydrophobicContact CE1-CE3 4.49Å; Y87-W99 HydrophobicContact CE1-CG 4.25Å; Y87-W99 PolarHBondContact O-NE1 2.77Å; G90-W99 CarbonylContact C-O 3.52Å; G90-W99 WeakPolarHBondContact CA-O 3.49Å; F91-W99 HydrophobicContact CD1-CB 4.03Å; F91-W99 HydrophobicContact CD1-CG 4.47Å; F91-W99 HydrophobicContact CD2-CB 4.35Å; F91-W99 HydrophobicContact CE1-CB 3.65Å; F91-W99 AromaticContact CE1-CD1 3.93Å; F91-W99 AromaticContact CE1-CG 3.95Å; F91-W99 HydrophobicContact CE1-CG 3.95Å; F91-W99 HydrophobicContact CE2-CB 4Å; F91-W99 HydrophobicContact CG-CB 4.37Å; F91-W99 HydrophobicContact CZ-CB 3.64Å; F91-W99 HydrophobicContact CZ-CG 4.24Å; F91-W99 PolarHBondContact N-O 2.89Å; F91-W99 PolarHBondContact O-N 2.95Å; W99-G101 VanDerWaalsContact C-N 3.26Å; W99-G101 VanDerWaalsContact CD1-N 3.33Å; W99-G101 PolarHBondContact O-N 2.83Å; W99-L102 HydrophobicContact CZ2-CD2 3.72Å; W99-L102 HydrophobicContact CZ2-CG 4.02Å; W99-M105 HydrophobicContact CD2-CE 3.76Å; W99-M105 VanDerWaalsContact CE2-CE 3.4Å; W99-M105 HydrophobicContact CE3-CE 4Å; W99-M105 HydrophobicContact CH2-CE 3.64Å; W99-M105 HydrophobicContact CH2-SD 4.12Å; W99-M105 HydrophobicContact CZ2-CE 3.36Å; W99-M105 HydrophobicContact CZ2-SD 3.97Å; W99-M105 HydrophobicContact CZ3-CE 3.94Å; W99-F168 HydrophobicContact CH2-CE2 4.03Å; W99-F168 HydrophobicContact CH2-CZ 4.32Å; W99-F168 AromaticContact CZ2-CE2 3.96Å; W99-F168 HydrophobicContact CZ2-CE2 3.96Å; W99-F168 HydrophobicContact CZ2-CZ 4.04Å; W99-W191 AromaticContact CH2-CH2 3.76Å; W99-W191 HydrophobicContact CH2-CH2 3.76Å; W99-W191 HydrophobicContact CH2-CZ3 4.07Å; W99-W191 HydrophobicContact CZ2-CH2 4.38Å |
| 100 | L | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -66.7 | -26.7 | -173.3 | -176.8 | 66.7 | 0 | 0 | 0 | 113.4 | V49 A51 T68 I70 Y98 V104 M105 L108 | V49-L100 HydrophobicContact CG1-CD1 3.72Å; A51-L100 HydrophobicContact CB-CD1 4.04Å; T68-L100 HydrophobicContact CG2-CD2 4.43Å; I70-L100 HydrophobicContact CB-CB 4.39Å; I70-L100 HydrophobicContact CB-CD2 4.39Å; I70-L100 HydrophobicContact CG2-CD2 3.84Å; I70-L100 WeakPolarHBondContact O-CB 3.31Å; I70-L100 PolarHBondContact O-N 2.89Å; Y98-L100 HydrophobicContact CE2-CB 4.17Å; Y98-L100 HydrophobicContact CE2-CD1 4.2Å; L100-V104 HydrophobicContact CD1-CG1 4.17Å; L100-V104 HydrophobicContact CD2-CG1 3.72Å; L100-V104 HydrophobicContact CG-CB 4.18Å; L100-V104 HydrophobicContact CG-CG1 3.66Å; L100-M105 HydrophobicContact CB-CE 4.06Å; L100-L108 HydrophobicContact CD2-CD1 3.92Å | ||
| 101 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | 108.9 | 133.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y87 K88 W99 E103 V104 M105 | Y87-G101 WeakPolarHBondContact O-CA 3.5Å; K88-G101 CarbonylContact O-C 3.57Å; W99-G101 VanDerWaalsContact C-N 3.26Å; W99-G101 VanDerWaalsContact CD1-N 3.33Å; W99-G101 PolarHBondContact O-N 2.83Å; G101-E103 VanDerWaalsContact C-N 3.32Å; G101-E103 PolarHBondContact O-N 3.22Å; G101-V104 PolarHBondContact O-N 2.99Å; G101-M105 WeakPolarHBondContact O-CG 3.38Å; G101-M105 PolarHBondContact O-N 2.8Å | ||
| 102 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | -178.5 | -69 | 162.1 | 0 | 0 | 0 | 112.1 | Y87 K88 W99 V104 M105 H106 V137 Y144 F168 W191 | Y87-L102 WeakPolarHBondContact O-CG 3.44Å; Y87-L102 PolarHBondContact O-N 2.64Å; K88-L102 PolarHBondContact O-N 3.41Å; W99-L102 HydrophobicContact CZ2-CD2 3.72Å; W99-L102 HydrophobicContact CZ2-CG 4.02Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 3.11Å; L102-M105 PolarHBondContact O-N 3.08Å; L102-H106 WeakPolarHBondContact O-CB 3.46Å; L102-H106 PolarHBondContact O-N 2.92Å; L102-V137 HydrophobicContact CD2-CG1 4.32Å; L102-Y144 HydrophobicContact CB-CD1 3.82Å; L102-Y144 HydrophobicContact CB-CD2 3.77Å; L102-Y144 HydrophobicContact CB-CE1 4Å; L102-Y144 HydrophobicContact CB-CE2 3.94Å; L102-Y144 HydrophobicContact CB-CG 3.71Å; L102-Y144 HydrophobicContact CD1-CD2 3.65Å; L102-Y144 HydrophobicContact CD1-CE2 4.22Å; L102-Y144 HydrophobicContact CD1-CG 4.1Å; L102-Y144 HydrophobicContact CD2-CG 4.39Å; L102-Y144 HydrophobicContact CG-CD2 4.25Å; L102-Y144 HydrophobicContact CG-CG 4.29Å; L102-F168 HydrophobicContact CD1-CB 4.21Å; L102-F168 HydrophobicContact CD1-CD1 3.6Å; L102-F168 HydrophobicContact CD1-CD2 4.2Å; L102-F168 HydrophobicContact CD1-CE1 3.92Å; L102-F168 HydrophobicContact CD1-CE2 4.48Å; L102-F168 HydrophobicContact CD1-CG 3.74Å; L102-F168 HydrophobicContact CD1-CZ 4.34Å; L102-F168 HydrophobicContact CD2-CD2 3.71Å; L102-F168 HydrophobicContact CD2-CE2 3.9Å; L102-F168 HydrophobicContact CD2-CG 4.05Å; L102-F168 HydrophobicContact CD2-CZ 4.43Å; L102-W191 HydrophobicContact CD2-CZ2 3.83Å |
| 103 | E | 98.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.3 | -172.3 | 62 | -164.4 | 0 | 0 | 110.9 | K88 G101 H106 L107 Y144 | K88-E103 HydrophobicContact CG-CB 4.39Å; K88-E103 PolarHBondContact O-N 2.8Å; G101-E103 VanDerWaalsContact C-N 3.32Å; G101-E103 PolarHBondContact O-N 3.22Å; E103-H106 PolarHBondContact O-N 2.94Å; E103-L107 HydrophobicContact CG-CD1 4.24Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 VanDerWaalsContact O-CG 3.26Å; E103-L107 WeakPolarHBondContact O-CG 3.24Å; E103-L107 PolarHBondContact O-N 3.5Å; E103-Y144 WeakPolarHBondContact OE2-CE1 3.45Å; E103-Y144 PolarHBondContact OE2-OH 3.02Å |
| 104 | V | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | P42 V49 L100 G101 L102 H106 L107 L108 | P42-V104 HydrophobicContact CG-CG1 3.82Å; V49-V104 HydrophobicContact CG1-CG1 4.39Å; V49-V104 HydrophobicContact CG1-CG2 4.22Å; V49-V104 HydrophobicContact CG2-CG2 3.86Å; L100-V104 HydrophobicContact CD1-CG1 4.17Å; L100-V104 HydrophobicContact CD2-CG1 3.72Å; L100-V104 HydrophobicContact CG-CB 4.18Å; L100-V104 HydrophobicContact CG-CG1 3.66Å; G101-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 3.11Å; V104-H106 VanDerWaalsContact C-N 3.35Å; V104-H106 PolarHBondContact O-N 2.8Å; V104-L107 PolarHBondContact O-N 3.01Å; V104-L108 HydrophobicContact CG1-CD1 4.01Å; V104-L108 HydrophobicContact CG1-CG 4.42Å; V104-L108 WeakPolarHBondContact O-CB 3.32Å; V104-L108 VanDerWaalsContact O-CG 3.28Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.25Å |
| 105 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 176.6 | -66 | 178 | -149.1 | 0 | 0 | 112.1 | I70 W99 L100 G101 L102 L108 T109 F135 V137 | I70-M105 HydrophobicContact CB-CE 3.87Å; I70-M105 HydrophobicContact CB-CG 4.37Å; I70-M105 HydrophobicContact CB-SD 4.17Å; I70-M105 HydrophobicContact CD1-CE 4.5Å; I70-M105 HydrophobicContact CD1-SD 3.96Å; I70-M105 HydrophobicContact CG2-CG 4.31Å; I70-M105 WeakPolarHBondContact O-CE 3.49Å; W99-M105 HydrophobicContact CD2-CE 3.76Å; W99-M105 VanDerWaalsContact CE2-CE 3.4Å; W99-M105 HydrophobicContact CE3-CE 4Å; W99-M105 HydrophobicContact CH2-CE 3.64Å; W99-M105 HydrophobicContact CH2-SD 4.12Å; W99-M105 HydrophobicContact CZ2-CE 3.36Å; W99-M105 HydrophobicContact CZ2-SD 3.97Å; W99-M105 HydrophobicContact CZ3-CE 3.94Å; L100-M105 HydrophobicContact CB-CE 4.06Å; G101-M105 WeakPolarHBondContact O-CG 3.38Å; G101-M105 PolarHBondContact O-N 2.8Å; L102-M105 PolarHBondContact O-N 3.08Å; M105-L108 PolarHBondContact O-N 2.8Å; M105-T109 WeakPolarHBondContact O-CB 3.27Å; M105-T109 WeakPolarHBondContact O-CG2 3.23Å; M105-T109 PolarHBondContact O-N 2.84Å; M105-T109 PolarHBondContact O-OG1 2.98Å; M105-F135 HydrophobicContact SD-CZ 4.34Å; M105-V137 HydrophobicContact CB-CB 4.32Å; M105-V137 HydrophobicContact CB-CG2 3.84Å |
| 106 | H | 98.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -53.7 | 174.3 | 172.6 | 52.5 | 0 | 0 | 0 | 110.8 | L102 E103 V104 L108 T109 Q110 V137 G138 Y144 | L102-H106 WeakPolarHBondContact O-CB 3.46Å; L102-H106 PolarHBondContact O-N 2.92Å; E103-H106 PolarHBondContact O-N 2.94Å; V104-H106 VanDerWaalsContact C-N 3.35Å; V104-H106 PolarHBondContact O-N 2.8Å; H106-L108 VanDerWaalsContact C-N 3.3Å; H106-L108 PolarHBondContact O-N 3.49Å; H106-T109 CarbonylContact O-C 3.57Å; H106-T109 PolarHBondContact O-N 2.98Å; H106-T109 VanDerWaalsContact O-N 3.1Å; H106-T109 PolarHBondContact O-OG1 3.36Å; H106-Q110 WeakPolarHBondContact O-CB 3.31Å; H106-Q110 PolarHBondContact O-N 2.87Å; H106-V137 HydrophobicContact CB-CB 4.45Å; H106-V137 HydrophobicContact CB-CG1 4.44Å; H106-V137 PolarHBondContact ND1-O 3.37Å; H106-G138 PolarHBondContact ND1-O 3.5Å; H106-Y144 HydrophobicContact CB-CD1 4.35Å; H106-Y144 HydrophobicContact CB-CE1 4.28Å |
| 107 | L | 98.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 19% | 0.194 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 179 | -69.7 | 171.5 | 0 | 0 | 0 | 112.2 | R22 P42 A43 E103 V104 | R22-L107 PolarHBondContact NH2-O 3.41Å; P42-L107 HydrophobicContact CB-CB 4.12Å; A43-L107 HydrophobicContact CB-CD1 3.7Å; E103-L107 HydrophobicContact CG-CD1 4.24Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 VanDerWaalsContact O-CG 3.26Å; E103-L107 WeakPolarHBondContact O-CG 3.24Å; E103-L107 PolarHBondContact O-N 3.5Å; V104-L107 PolarHBondContact O-N 3.01Å |
| 108 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.9 | -77.6 | 169.8 | 0 | 0 | 0 | 111.4 | R22 D23 I40 P42 L100 V104 M105 H106 Y114 I234 | R22-L108 HydrophobicContact CG-CD2 4.15Å; R22-L108 WeakPolarHBondContact O-CD2 3.39Å; D23-L108 HydrophobicContact CB-CD2 4.15Å; I40-L108 HydrophobicContact CD1-CD1 4.37Å; I40-L108 HydrophobicContact CD1-CD2 4.47Å; P42-L108 HydrophobicContact CB-CD2 3.88Å; P42-L108 HydrophobicContact CB-CG 3.97Å; L100-L108 HydrophobicContact CD2-CD1 3.92Å; V104-L108 HydrophobicContact CG1-CD1 4.01Å; V104-L108 HydrophobicContact CG1-CG 4.42Å; V104-L108 WeakPolarHBondContact O-CB 3.32Å; V104-L108 VanDerWaalsContact O-CG 3.28Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.25Å; M105-L108 PolarHBondContact O-N 2.8Å; H106-L108 VanDerWaalsContact C-N 3.3Å; H106-L108 PolarHBondContact O-N 3.49Å; L108-Y114 WeakPolarHBondContact O-CE2 3.19Å; L108-Y114 PolarHBondContact O-OH 2.8Å; L108-I234 HydrophobicContact CD1-CD1 4.27Å |
| 109 | T | 97.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -91.4 | 2.1 | -169.2 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | M105 H106 Y114 F135 S136 V137 I234 | M105-T109 WeakPolarHBondContact O-CB 3.27Å; M105-T109 WeakPolarHBondContact O-CG2 3.23Å; M105-T109 PolarHBondContact O-N 2.84Å; M105-T109 PolarHBondContact O-OG1 2.98Å; H106-T109 CarbonylContact O-C 3.57Å; H106-T109 PolarHBondContact O-N 2.98Å; H106-T109 VanDerWaalsContact O-N 3.1Å; H106-T109 PolarHBondContact O-OG1 3.36Å; T109-Y114 HydrophobicContact CG2-CD2 3.78Å; T109-Y114 HydrophobicContact CG2-CE2 4.29Å; T109-Y114 HydrophobicContact CG2-CG 4.31Å; T109-F135 HydrophobicContact CG2-CD1 4.07Å; T109-F135 HydrophobicContact CG2-CE1 4.33Å; T109-S136 WeakPolarHBondContact OG1-CA 3.29Å; T109-V137 PolarHBondContact OG1-N 2.92Å; T109-V137 VanDerWaalsContact OG1-N 3.1Å; T109-I234 HydrophobicContact CG2-CD1 4.25Å |
| 110 | Q | 95.5 | Very high | 97.3 | Very high | 114 Ų | 114 | 32.5 Ų | 32.5 | 53% | 0.533 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -71.4 | -42.7 | 179.2 | -176.5 | -178.7 | -26.1 | 0 | 0 | 113.3 | H106 | H106-Q110 WeakPolarHBondContact O-CB 3.31Å; H106-Q110 PolarHBondContact O-N 2.87Å |
| 111 | D | 87.4 | Confident | 97.3 | Very high | 110 Ų | 110 | 33.6 Ų | 33.6 | 59% | 0.588 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -116.6 | -1.8 | -172.1 | -45 | -52.8 | 0 | 0 | 0 | 114.1 | R22 | R22-D111 IonicContact CZ-OD2 2.58Å; R22-D111 IonicContact NH1-OD2 2.75Å; R22-D111 PolarHBondContact NH1-OD2 2.9Å; R22-D111 IonicContact NH2-OD2 3.73Å; R22-D111 PolarHBondContact NH2-OD2 3.1Å |
| 112 | R | 92.9 | Very high | 97.2 | Very high | 73 Ų | 73 | 33.9 Ų | 33.9 | 28% | 0.275 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -139.1 | 138.9 | -179.8 | -170.6 | -176.9 | -70.2 | -174.3 | -6.9 | 108.2 | D23 D26 Y114 P236 | D23-R112 IonicContact OD1-NH1 3.11Å; D23-R112 IonicContact OD2-CZ 3.06Å; D23-R112 IonicContact OD2-NH1 2.87Å; D23-R112 PolarHBondContact OD2-NH1 3.38Å; D26-R112 IonicContact OD1-CZ 2.71Å; D26-R112 IonicContact OD1-NH1 3.23Å; D26-R112 PolarHBondContact OD1-NH1 2.69Å; D26-R112 IonicContact OD1-NH2 2.67Å; D26-R112 IonicContact OD2-NH1 3.83Å; D26-R112 IonicContact OD2-NH2 2.59Å; R112-Y114 HydrophobicContact CB-CE2 3.76Å; R112-Y114 HydrophobicContact CG-CE2 4.1Å; R112-Y114 WeakPolarHBondContact O-CD2 3.47Å; R112-Y114 VanDerWaalsContact O-CE2 3.29Å; R112-Y114 WeakPolarHBondContact O-CE2 3.24Å; R112-P236 HydrophobicContact CG-CB 4.35Å |
| 113 | N | 95.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 37.2 Ų | 37.2 | 60% | 0.604 | 18% | 0.179 | S | C | * | . | trans | -80.3 | 139.2 | 176.4 | -66.7 | -36.2 | 0 | 0 | 0 | 109.6 | P236 V237 | N113-P236 WeakPolarHBondContact O-CA 3.28Å; N113-V237 HydrophobicContact CB-CG2 3.56Å; N113-V237 PolarHBondContact O-N 3.06Å | ||
| 114 | Y | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.3 | 177.1 | -68 | -105.6 | 0 | 0 | 0 | 110.6 | D23 L108 T109 R112 A134 F135 I234 R235 P236 | D23-Y114 HydrophobicContact CB-CE1 4.43Å; D23-Y114 PolarHBondContact OD2-OH 2.99Å; L108-Y114 WeakPolarHBondContact O-CE2 3.19Å; L108-Y114 PolarHBondContact O-OH 2.8Å; T109-Y114 HydrophobicContact CG2-CD2 3.78Å; T109-Y114 HydrophobicContact CG2-CE2 4.29Å; T109-Y114 HydrophobicContact CG2-CG 4.31Å; R112-Y114 HydrophobicContact CB-CE2 3.76Å; R112-Y114 HydrophobicContact CG-CE2 4.1Å; R112-Y114 WeakPolarHBondContact O-CD2 3.47Å; R112-Y114 VanDerWaalsContact O-CE2 3.29Å; R112-Y114 WeakPolarHBondContact O-CE2 3.24Å; Y114-A134 CarbonylContact O-C 3.56Å; Y114-A134 WeakPolarHBondContact O-CA 3.39Å; Y114-F135 PolarHBondContact O-N 2.85Å; Y114-I234 HydrophobicContact CD1-CB 3.98Å; Y114-I234 HydrophobicContact CD1-CD1 3.77Å; Y114-I234 HydrophobicContact CD1-CG1 3.77Å; Y114-I234 HydrophobicContact CE1-CD1 4.11Å; Y114-I234 HydrophobicContact CE1-CG1 4.28Å; Y114-I234 HydrophobicContact CG-CB 4.36Å; Y114-I234 HydrophobicContact CG-CD1 4.1Å; Y114-I234 HydrophobicContact CG-CG1 4.42Å; Y114-R235 CarbonylContact C-O 3.59Å; Y114-R235 WeakPolarHBondContact CA-O 3.43Å; Y114-P236 HydrophobicContact CD1-CG 4.15Å; Y114-P236 HydrophobicContact CE1-CG 3.68Å |
| 115 | E | 97.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 160.2 | 159.9 | 59.1 | 178.4 | -174.5 | 0 | 0 | 110.6 | W67 H131 Y132 I234 R235 V237 | W67-E115 HydrophobicContact CH2-CG 3.94Å; W67-E115 WeakPolarHBondContact CH2-OE1 3.42Å; W67-E115 HydrophobicContact CZ3-CG 4.1Å; E115-H131 IonicContact OE2-CD2 2.76Å; E115-H131 IonicContact OE2-CE1 3.5Å; E115-H131 PolarHBondContact OE2-CE1 2.86Å; E115-H131 IonicContact OE2-NE2 3.56Å; E115-H131 PolarHBondContact OE2-NE2 3.42Å; E115-Y132 WeakPolarHBondContact CB-O 3.18Å; E115-I234 WeakPolarHBondContact O-CA 3.02Å; E115-R235 HydrophobicContact CG-CB 4.11Å; E115-R235 WeakPolarHBondContact CG-O 3.42Å; E115-R235 PolarHBondContact N-O 3.36Å; E115-R235 PolarHBondContact O-N 3.12Å; E115-R235 VanDerWaalsContact O-N 3.11Å; E115-R235 IonicContact OE1-CZ 3.88Å; E115-R235 IonicContact OE1-NE 2.73Å; E115-R235 PolarHBondContact OE1-NE 2.77Å; E115-R235 IonicContact OE1-NH2 3.2Å; E115-R235 PolarHBondContact OE1-NH2 2.61Å; E115-V237 HydrophobicContact CB-CG1 3.73Å; E115-V237 HydrophobicContact CG-CG1 3.74Å |
| 116 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.5 | 176.4 | 171.3 | 76.8 | 0 | 0 | 0 | 110.4 | I70 V118 H131 Y132 F135 L148 L160 M232 I234 | I70-L116 HydrophobicContact CD1-CD1 4.2Å; L116-V118 HydrophobicContact CD2-CG2 4.17Å; L116-V118 HydrophobicContact CG-CG2 4.23Å; L116-H131 PolarHBondContact O-CD2 2.97Å; L116-Y132 HydrophobicContact CD2-CD2 4.11Å; L116-Y132 HydrophobicContact CG-CD2 4.49Å; L116-Y132 PolarHBondContact N-O 2.86Å; L116-Y132 VanDerWaalsContact N-O 3.11Å; L116-Y132 PolarHBondContact O-N 3.49Å; L116-F135 HydrophobicContact CB-CB 3.63Å; L116-F135 HydrophobicContact CB-CD2 4.26Å; L116-F135 HydrophobicContact CB-CG 4.1Å; L116-F135 HydrophobicContact CD1-CD2 4.36Å; L116-F135 HydrophobicContact CD2-CD2 3.84Å; L116-F135 HydrophobicContact CD2-CE2 4.41Å; L116-F135 HydrophobicContact CG-CD2 4.38Å; L116-L148 HydrophobicContact CD2-CD1 3.82Å; L116-L160 HydrophobicContact CD2-CD2 3.43Å; L116-L160 VanDerWaalsContact CD2-CD2 3.43Å; L116-M232 HydrophobicContact CD1-CB 4.24Å; L116-M232 HydrophobicContact CD1-CE 4.18Å; L116-M232 HydrophobicContact CD2-CE 4.08Å; L116-I234 HydrophobicContact CB-CG2 4.45Å; L116-I234 HydrophobicContact CD1-CG2 3.79Å |
| 117 | R | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.8 | 167.4 | -177 | 172.2 | 174.3 | 120.2 | 2.3 | 110.2 | W67 D119 A130 K233 | W67-R117 HydrophobicContact CE3-CB 4.37Å; W67-R117 HydrophobicContact CH2-CB 3.55Å; W67-R117 HydrophobicContact CZ2-CB 4.12Å; W67-R117 HydrophobicContact CZ3-CB 3.69Å; R117-D119 IonicContact CZ-OD1 2.75Å; R117-D119 IonicContact NE-OD1 2.77Å; R117-D119 PolarHBondContact NE-OD1 2.97Å; R117-D119 IonicContact NE-OD2 3.2Å; R117-D119 IonicContact NH2-OD1 3.82Å; R117-D119 PolarHBondContact NH2-OD1 2.69Å; R117-A130 WeakPolarHBondContact CA-O 3.36Å; R117-K233 HydrophobicContact CB-CG 4.2Å; R117-K233 PolarHBondContact N-O 2.89Å; R117-K233 PolarHBondContact O-N 2.77Å |
| 118 | V | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108 | 173.9 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | L116 M120 F129 A130 W217 M230 I231 M232 | L116-V118 HydrophobicContact CD2-CG2 4.17Å; L116-V118 HydrophobicContact CG-CG2 4.23Å; V118-M120 HydrophobicContact CB-CE 4.24Å; V118-M120 HydrophobicContact CG1-CE 3.96Å; V118-M120 HydrophobicContact CG1-CG 4.2Å; V118-M120 HydrophobicContact CG1-SD 4.34Å; V118-F129 CarbonylContact O-C 3.42Å; V118-F129 WeakPolarHBondContact O-CA 3.43Å; V118-F129 WeakPolarHBondContact O-CB 3.46Å; V118-A130 PolarHBondContact N-O 3.22Å; V118-A130 PolarHBondContact O-N 2.89Å; V118-W217 HydrophobicContact CB-CH2 4.48Å; V118-W217 HydrophobicContact CG1-CZ3 4.2Å; V118-W217 HydrophobicContact CG2-CH2 4.32Å; V118-W217 HydrophobicContact CG2-CZ3 4.43Å; V118-M230 HydrophobicContact CG1-CG 3.92Å; V118-M230 HydrophobicContact CG1-SD 4.42Å; V118-I231 CarbonylContact C-O 3.22Å; V118-I231 VanDerWaalsContact CA-O 3.31Å; V118-I231 WeakPolarHBondContact CA-O 3.44Å; V118-M232 HydrophobicContact CG1-CG 4.17Å; V118-M232 HydrophobicContact CG2-CG 4.13Å |
| 119 | D | 98.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137 | 174.7 | -66.7 | -37.1 | 0 | 0 | 0 | 109.7 | R117 F129 M230 I231 K233 | R117-D119 IonicContact CZ-OD1 2.75Å; R117-D119 IonicContact NE-OD1 2.77Å; R117-D119 PolarHBondContact NE-OD1 2.97Å; R117-D119 IonicContact NE-OD2 3.2Å; R117-D119 IonicContact NH2-OD1 3.82Å; R117-D119 PolarHBondContact NH2-OD1 2.69Å; D119-F129 WeakPolarHBondContact OD1-CB 3.22Å; D119-M230 CarbonylContact O-C 3.55Å; D119-M230 WeakPolarHBondContact O-CA 3.45Å; D119-I231 PolarHBondContact N-O 3.16Å; D119-I231 PolarHBondContact O-N 3.25Å; D119-K233 WeakPolarHBondContact OD2-CE 3.25Å; D119-K233 IonicContact OD2-NZ 3.83Å; D119-K233 PolarHBondContact OD2-NZ 2.8Å |
| 120 | M | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.7 | -174.2 | -70.9 | 167 | -86.7 | 0 | 0 | 111.6 | V118 K127 V128 A130 A156 W217 L227 T229 M230 | V118-M120 HydrophobicContact CB-CE 4.24Å; V118-M120 HydrophobicContact CG1-CE 3.96Å; V118-M120 HydrophobicContact CG1-CG 4.2Å; V118-M120 HydrophobicContact CG1-SD 4.34Å; M120-K127 WeakPolarHBondContact O-CA 3.48Å; M120-V128 HydrophobicContact CB-CG2 4.02Å; M120-V128 PolarHBondContact N-O 2.98Å; M120-V128 PolarHBondContact O-N 2.9Å; M120-A130 HydrophobicContact CE-CB 4.31Å; M120-A156 HydrophobicContact CE-CB 3.26Å; M120-A156 HydrophobicContact SD-CB 4.36Å; M120-W217 HydrophobicContact CE-CD2 3.84Å; M120-W217 HydrophobicContact CE-CE3 4.22Å; M120-W217 HydrophobicContact CE-CG 4.13Å; M120-W217 HydrophobicContact CE-CZ2 4.31Å; M120-W217 HydrophobicContact SD-CB 3.67Å; M120-W217 HydrophobicContact SD-CD2 3.66Å; M120-W217 HydrophobicContact SD-CE3 3.92Å; M120-W217 HydrophobicContact SD-CG 3.57Å; M120-W217 VanDerWaalsContact SD-CG 3.57Å; M120-L227 HydrophobicContact CB-CD1 4.23Å; M120-L227 HydrophobicContact CG-CD1 3.95Å; M120-L227 HydrophobicContact SD-CD1 3.79Å; M120-T229 WeakPolarHBondContact CA-O 3.1Å; M120-M230 HydrophobicContact CG-CB 4.42Å; M120-M230 HydrophobicContact CG-CE 4.06Å; M120-M230 HydrophobicContact CG-CG 3.96Å; M120-M230 HydrophobicContact SD-CE 3.93Å |
| 121 | E | 98.3 | Very high | 96.9 | Very high | 29 Ų | 29 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.5 | 171.5 | -167.9 | -175.5 | 143.9 | 0 | 0 | 109.4 | Q126 K127 K228 T229 | E121-Q126 WeakPolarHBondContact CA-O 3.27Å; E121-K127 HydrophobicContact CB-CG 4.15Å; E121-K127 HydrophobicContact CG-CG 3.78Å; E121-K127 WeakPolarHBondContact OE2-CE 3.16Å; E121-K127 IonicContact OE2-NZ 3.59Å; E121-K228 WeakPolarHBondContact O-CB 3.36Å; E121-K228 PolarHBondContact O-N 3.08Å; E121-K228 IonicContact OE1-NZ 2.8Å; E121-K228 PolarHBondContact OE1-NZ 2.84Å; E121-T229 HydrophobicContact CB-CG2 4.3Å; E121-T229 WeakPolarHBondContact CB-OG1 3.5Å; E121-T229 PolarHBondContact N-O 3.11Å; E121-T229 PolarHBondContact N-OG1 3.08Å; E121-T229 PolarHBondContact O-N 2.63Å |
| 122 | D | 97.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | trans | -87.4 | -177.5 | 169.6 | 71.3 | 11.3 | 0 | 0 | 0 | 112.2 | D124 G125 Q126 F220 K221 L227 | D122-D124 VanDerWaalsContact C-N 3.32Å; D122-D124 WeakPolarHBondContact OD1-CA 3.43Å; D122-D124 PolarHBondContact OD1-N 3.34Å; D122-G125 PolarHBondContact OD1-N 2.74Å; D122-Q126 PolarHBondContact N-O 3Å; D122-Q126 VanDerWaalsContact N-O 3.12Å; D122-Q126 PolarHBondContact OD1-N 3.44Å; D122-Q126 VanDerWaalsContact OD2-CB 3.28Å; D122-Q126 WeakPolarHBondContact OD2-CB 3.18Å; D122-F220 HydrophobicContact CB-CE1 4.22Å; D122-F220 HydrophobicContact CB-CZ 4.24Å; D122-K221 HydrophobicContact CB-CG 4.48Å; D122-K221 WeakPolarHBondContact OD2-CE 3.32Å; D122-K221 IonicContact OD2-NZ 2.61Å; D122-K221 PolarHBondContact OD2-NZ 3.06Å; D122-L227 HydrophobicContact CB-CD2 4.24Å | ||
| 123 | F | 96.4 | Very high | 97.6 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 31% | 0.307 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.6 | 177.5 | -77 | -84.4 | 0 | 0 | 0 | 114.2 | G125 Y204 W206 G207 K228 | F123-G125 VanDerWaalsContact C-N 3.31Å; F123-Y204 HydrophobicContact CZ-CE1 4.37Å; F123-W206 HydrophobicContact CE1-CB 4.4Å; F123-W206 AromaticContact CE1-CE3 3.71Å; F123-W206 HydrophobicContact CE1-CE3 3.71Å; F123-W206 HydrophobicContact CE1-CZ3 4.4Å; F123-W206 HydrophobicContact CZ-CB 4.32Å; F123-W206 HydrophobicContact CZ-CE3 4.13Å; F123-G207 VanDerWaalsContact CD2-CA 3.42Å; F123-K228 HydrophobicContact CD1-CB 4.03Å; F123-K228 HydrophobicContact CD1-CD 4.22Å; F123-K228 HydrophobicContact CD1-CG 4.13Å; F123-K228 HydrophobicContact CD2-CB 3.87Å; F123-K228 HydrophobicContact CE1-CB 3.84Å; F123-K228 HydrophobicContact CE1-CD 4.3Å; F123-K228 HydrophobicContact CE1-CG 3.78Å; F123-K228 VanDerWaalsContact CE2-CA 3.5Å; F123-K228 HydrophobicContact CE2-CB 3.69Å; F123-K228 HydrophobicContact CE2-CG 4.49Å; F123-K228 HydrophobicContact CG-CB 4.04Å; F123-K228 HydrophobicContact CZ-CB 3.68Å; F123-K228 HydrophobicContact CZ-CG 3.99Å |
| 124 | D | 96.2 | Very high | 97.7 | Very high | 150 Ų | 150 | 40 Ų | 40 | 80% | 0.802 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.1 | 173.7 | -60.9 | -39.6 | 0 | 0 | 0 | 112.1 | D122 | D122-D124 VanDerWaalsContact C-N 3.32Å; D122-D124 WeakPolarHBondContact OD1-CA 3.43Å; D122-D124 PolarHBondContact OD1-N 3.34Å |
| 125 | G | 96.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 44% | 0.443 | 21% | 0.211 | S | C | . | . | trans | 89.3 | 7.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D122 F123 K127 | D122-G125 PolarHBondContact OD1-N 2.74Å; F123-G125 VanDerWaalsContact C-N 3.31Å; G125-K127 PolarHBondContact O-N 3.11Å | ||
| 126 | Q | 97.9 | Very high | 97.8 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | trans | -72.5 | 119.4 | 174.8 | -169.8 | -179.7 | 14.1 | 0 | 0 | 110.1 | E121 D122 V128 F220 | E121-Q126 WeakPolarHBondContact CA-O 3.27Å; D122-Q126 PolarHBondContact N-O 3Å; D122-Q126 VanDerWaalsContact N-O 3.12Å; D122-Q126 PolarHBondContact OD1-N 3.44Å; D122-Q126 VanDerWaalsContact OD2-CB 3.28Å; D122-Q126 WeakPolarHBondContact OD2-CB 3.18Å; Q126-V128 HydrophobicContact CG-CG1 4.29Å; Q126-F220 HydrophobicContact CB-CZ 4.2Å; Q126-F220 HydrophobicContact CG-CE2 4.16Å; Q126-F220 HydrophobicContact CG-CZ 4.08Å | ||
| 127 | K | 97.7 | Very high | 97.9 | Very high | 153 Ų | 153 | 41 Ų | 41 | 67% | 0.665 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.6 | 176.3 | -65.6 | 179.4 | 179.2 | -173.3 | 0 | 110.9 | M120 E121 G125 | M120-K127 WeakPolarHBondContact O-CA 3.48Å; E121-K127 HydrophobicContact CB-CG 4.15Å; E121-K127 HydrophobicContact CG-CG 3.78Å; E121-K127 WeakPolarHBondContact OE2-CE 3.16Å; E121-K127 IonicContact OE2-NZ 3.59Å; G125-K127 PolarHBondContact O-N 3.11Å |
| 128 | V | 97.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 169.2 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | M120 Q126 A155 A156 F220 | M120-V128 HydrophobicContact CB-CG2 4.02Å; M120-V128 PolarHBondContact N-O 2.98Å; M120-V128 PolarHBondContact O-N 2.9Å; Q126-V128 HydrophobicContact CG-CG1 4.29Å; V128-A155 HydrophobicContact CB-CB 4.2Å; V128-A155 HydrophobicContact CG1-CB 3.89Å; V128-A156 HydrophobicContact CB-CB 4.08Å; V128-A156 HydrophobicContact CG2-CB 3.63Å; V128-F220 HydrophobicContact CB-CE2 4.45Å; V128-F220 HydrophobicContact CB-CZ 4.46Å; V128-F220 HydrophobicContact CG1-CD2 4.25Å; V128-F220 HydrophobicContact CG1-CE2 3.74Å; V128-F220 HydrophobicContact CG1-CZ 4Å; V128-F220 HydrophobicContact CG2-CD1 3.53Å; V128-F220 HydrophobicContact CG2-CD2 3.9Å; V128-F220 HydrophobicContact CG2-CE1 3.45Å; V128-F220 VanDerWaalsContact CG2-CE1 3.45Å; V128-F220 HydrophobicContact CG2-CE2 3.81Å; V128-F220 HydrophobicContact CG2-CG 3.78Å; V128-F220 HydrophobicContact CG2-CZ 3.6Å |
| 129 | F | 98 | Very high | 97.9 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 166.3 | 173 | 70.4 | -86.7 | 0 | 0 | 0 | 111.2 | V118 D119 H131 N153 G154 A155 A156 | V118-F129 CarbonylContact O-C 3.42Å; V118-F129 WeakPolarHBondContact O-CA 3.43Å; V118-F129 WeakPolarHBondContact O-CB 3.46Å; D119-F129 WeakPolarHBondContact OD1-CB 3.22Å; F129-H131 HydrophobicContact CD2-CB 4.18Å; F129-H131 HydrophobicContact CE2-CB 4.08Å; F129-N153 WeakPolarHBondContact CE2-OD1 3.41Å; F129-G154 CarbonylContact O-C 3.57Å; F129-G154 WeakPolarHBondContact O-CA 3.44Å; F129-A155 PolarHBondContact O-N 3.11Å; F129-A156 VanDerWaalsContact O-CB 3.25Å; F129-A156 WeakPolarHBondContact O-CB 3.27Å; F129-A156 PolarHBondContact O-N 3.35Å; F129-A156 VanDerWaalsContact O-N 3.08Å |
| 130 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R117 V118 M120 Y132 F151 A156 W217 | R117-A130 WeakPolarHBondContact CA-O 3.36Å; V118-A130 PolarHBondContact N-O 3.22Å; V118-A130 PolarHBondContact O-N 2.89Å; M120-A130 HydrophobicContact CE-CB 4.31Å; A130-Y132 HydrophobicContact CB-CE2 3.85Å; A130-F151 HydrophobicContact CB-CE2 4.01Å; A130-A156 HydrophobicContact CB-CB 4.31Å; A130-W217 HydrophobicContact CB-CH2 4.05Å; A130-W217 HydrophobicContact CB-CZ2 3.54Å |
| 131 | H | 97.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.4 | -175.5 | -175.2 | -162.9 | 0 | 0 | 0 | 110.6 | E115 L116 F129 I152 N153 | E115-H131 IonicContact OE2-CD2 2.76Å; E115-H131 IonicContact OE2-CE1 3.5Å; E115-H131 PolarHBondContact OE2-CE1 2.86Å; E115-H131 IonicContact OE2-NE2 3.56Å; E115-H131 PolarHBondContact OE2-NE2 3.42Å; L116-H131 PolarHBondContact O-CD2 2.97Å; F129-H131 HydrophobicContact CD2-CB 4.18Å; F129-H131 HydrophobicContact CE2-CB 4.08Å; H131-I152 HydrophobicContact CB-CB 4.47Å; H131-I152 PolarHBondContact O-N 2.75Å; H131-N153 WeakPolarHBondContact CB-OD1 3.3Å; H131-N153 PolarHBondContact N-O 2.9Å |
| 132 | Y | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.3 | -177.1 | -60 | -91.2 | 0 | 0 | 0 | 110.4 | E115 L116 A130 A134 L148 S150 F151 D158 L160 W217 | E115-Y132 WeakPolarHBondContact CB-O 3.18Å; L116-Y132 HydrophobicContact CD2-CD2 4.11Å; L116-Y132 HydrophobicContact CG-CD2 4.49Å; L116-Y132 PolarHBondContact N-O 2.86Å; L116-Y132 VanDerWaalsContact N-O 3.11Å; L116-Y132 PolarHBondContact O-N 3.49Å; A130-Y132 HydrophobicContact CB-CE2 3.85Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 PolarHBondContact O-N 3.06Å; Y132-L148 HydrophobicContact CD1-CD1 4.15Å; Y132-L148 HydrophobicContact CD1-CD2 3.44Å; Y132-L148 VanDerWaalsContact CD1-CD2 3.44Å; Y132-L148 HydrophobicContact CD1-CG 3.76Å; Y132-L148 HydrophobicContact CD2-CD1 4.41Å; Y132-L148 HydrophobicContact CE1-CD2 3.57Å; Y132-L148 HydrophobicContact CE1-CG 4.39Å; Y132-L148 HydrophobicContact CG-CD1 3.9Å; Y132-L148 HydrophobicContact CG-CD2 4.02Å; Y132-L148 HydrophobicContact CG-CG 4.03Å; Y132-S150 WeakPolarHBondContact CA-O 3.33Å; Y132-F151 HydrophobicContact CD1-CB 4.09Å; Y132-F151 HydrophobicContact CD1-CD2 4.41Å; Y132-F151 HydrophobicContact CE1-CB 3.84Å; Y132-F151 AromaticContact CE1-CD2 3.84Å; Y132-F151 HydrophobicContact CE1-CD2 3.84Å; Y132-F151 HydrophobicContact CE1-CG 4.34Å; Y132-F151 HydrophobicContact CE2-CD2 4.49Å; Y132-F151 AromaticContact CZ-CD2 3.87Å; Y132-D158 WeakPolarHBondContact CE1-OD1 3.33Å; Y132-D158 PolarHBondContact OH-OD1 3.38Å; Y132-L160 HydrophobicContact CD2-CD2 4.35Å; Y132-L160 HydrophobicContact CE1-CB 4.18Å; Y132-L160 HydrophobicContact CE2-CB 4.01Å; Y132-L160 HydrophobicContact CE2-CD2 3.98Å; Y132-L160 VanDerWaalsContact OH-CB 3.25Å; Y132-L160 WeakPolarHBondContact OH-CB 3.04Å; Y132-L160 PolarHBondContact OH-N 3.4Å; Y132-W217 HydrophobicContact CE2-CH2 4.28Å; Y132-W217 WeakPolarHBondContact OH-CZ2 3.35Å |
| 133 | S | 97.4 | Very high | 98 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -21.8 | -174 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | S150 | S133-S150 PolarHBondContact N-O 3.27Å; S133-S150 PolarHBondContact OG-N 3.4Å; S133-S150 PolarHBondContact OG-O 3.35Å; S133-S150 PolarHBondContact OG-OG 3.43Å |
| 134 | A | 97.9 | Very high | 98.1 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y114 Y132 G149 | Y114-A134 CarbonylContact O-C 3.56Å; Y114-A134 WeakPolarHBondContact O-CA 3.39Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 PolarHBondContact O-N 3.06Å; A134-G149 PolarHBondContact O-N 2.87Å |
| 135 | F | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 127.7 | 171.2 | 172.7 | -90.1 | 0 | 0 | 0 | 110 | I70 M105 T109 Y114 L116 V137 L146 N147 L148 W191 I234 | I70-F135 HydrophobicContact CD1-CE1 3.9Å; I70-F135 HydrophobicContact CD1-CE2 4.33Å; I70-F135 HydrophobicContact CD1-CZ 3.66Å; M105-F135 HydrophobicContact SD-CZ 4.34Å; T109-F135 HydrophobicContact CG2-CD1 4.07Å; T109-F135 HydrophobicContact CG2-CE1 4.33Å; Y114-F135 PolarHBondContact O-N 2.85Å; L116-F135 HydrophobicContact CB-CB 3.63Å; L116-F135 HydrophobicContact CB-CD2 4.26Å; L116-F135 HydrophobicContact CB-CG 4.1Å; L116-F135 HydrophobicContact CD1-CD2 4.36Å; L116-F135 HydrophobicContact CD2-CD2 3.84Å; L116-F135 HydrophobicContact CD2-CE2 4.41Å; L116-F135 HydrophobicContact CG-CD2 4.38Å; F135-V137 HydrophobicContact CE1-CG2 3.92Å; F135-V137 HydrophobicContact CE2-CG2 4.49Å; F135-V137 HydrophobicContact CZ-CG2 3.67Å; F135-L146 HydrophobicContact CD2-CD1 3.64Å; F135-L146 HydrophobicContact CE2-CD1 3.46Å; F135-L146 VanDerWaalsContact CE2-CD1 3.46Å; F135-L146 HydrophobicContact CZ-CD1 4.46Å; F135-N147 CarbonylContact C-O 3.57Å; F135-N147 WeakPolarHBondContact CA-O 3.39Å; F135-L148 HydrophobicContact CD2-CD1 4.26Å; F135-W191 HydrophobicContact CE2-CH2 4.21Å; F135-W191 HydrophobicContact CZ-CH2 4.16Å; F135-I234 HydrophobicContact CD1-CG2 3.54Å; F135-I234 HydrophobicContact CE1-CG2 3.91Å; F135-I234 HydrophobicContact CG-CG2 4.1Å |
| 136 | S | 98.7 | Very high | 98.3 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.9 | 166.4 | 71.3 | 0 | 0 | 0 | 0 | 112 | T109 N147 | T109-S136 WeakPolarHBondContact OG1-CA 3.29Å; S136-N147 PolarHBondContact N-O 2.59Å; S136-N147 PolarHBondContact O-N 3.13Å; S136-N147 WeakPolarHBondContact OG-CB 3.48Å; S136-N147 PolarHBondContact OG-ND2 2.62Å; S136-N147 VanDerWaalsContact OG-ND2 3.09Å |
| 137 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.7 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | L102 M105 H106 T109 F135 Y144 W191 | L102-V137 HydrophobicContact CD2-CG1 4.32Å; M105-V137 HydrophobicContact CB-CB 4.32Å; M105-V137 HydrophobicContact CB-CG2 3.84Å; H106-V137 HydrophobicContact CB-CB 4.45Å; H106-V137 HydrophobicContact CB-CG1 4.44Å; H106-V137 PolarHBondContact ND1-O 3.37Å; T109-V137 PolarHBondContact OG1-N 2.92Å; T109-V137 VanDerWaalsContact OG1-N 3.1Å; F135-V137 HydrophobicContact CE1-CG2 3.92Å; F135-V137 HydrophobicContact CE2-CG2 4.49Å; F135-V137 HydrophobicContact CZ-CG2 3.67Å; V137-Y144 HydrophobicContact CG1-CD1 3.88Å; V137-Y144 HydrophobicContact CG1-CG 4.23Å; V137-W191 HydrophobicContact CG2-CH2 4.49Å; V137-W191 HydrophobicContact CG2-CZ2 3.85Å |
| 138 | G | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | trans | -66.9 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H106 Y144 K145 | H106-G138 PolarHBondContact ND1-O 3.5Å; G138-Y144 WeakPolarHBondContact O-CA 3.4Å; G138-Y144 VanDerWaalsContact O-CD1 3.28Å; G138-Y144 WeakPolarHBondContact O-CD1 3.39Å; G138-K145 PolarHBondContact N-O 3.21Å | ||
| 139 | P | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 24% | 0.24 | 19% | 0.191 | C | C | . | . | trans | -68.2 | 163.7 | 178.5 | 30.1 | -36.1 | 0 | 0 | 0 | 112 | S141 E142 G143 Y144 | P139-S141 PolarHBondContact O-N 3.24Å; P139-E142 HydrophobicContact CG-CB 4.26Å; P139-E142 HydrophobicContact CG-CG 4.08Å; P139-E142 PolarHBondContact O-N 2.77Å; P139-G143 PolarHBondContact O-N 3.37Å; P139-Y144 PolarHBondContact O-N 3.23Å; P139-Y144 VanDerWaalsContact O-N 3.09Å | ||
| 140 | E | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -57.9 | -34.7 | 176.5 | -172.5 | 170.5 | -153.1 | 0 | 0 | 112.9 | W84 K88 E142 G143 Y144 | W84-E140 HydrophobicContact CZ2-CG 4.2Å; W84-E140 PolarHBondContact NE1-OE1 3.11Å; K88-E140 WeakPolarHBondContact CD-OE1 3.43Å; K88-E140 WeakPolarHBondContact CE-OE2 3.45Å; K88-E140 VanDerWaalsContact NZ-CD 3.27Å; K88-E140 IonicContact NZ-OE1 3.23Å; K88-E140 PolarHBondContact NZ-OE1 2.63Å; K88-E140 IonicContact NZ-OE2 2.64Å; K88-E140 PolarHBondContact NZ-OE2 2.58Å; E140-E142 PolarHBondContact O-N 2.84Å; E140-G143 WeakPolarHBondContact O-CA 3.2Å; E140-G143 PolarHBondContact O-N 2.88Å; E140-Y144 HydrophobicContact CB-CD2 4.49Å; E140-Y144 HydrophobicContact CB-CE1 4.04Å; E140-Y144 HydrophobicContact CB-CE2 3.82Å; E140-Y144 HydrophobicContact CG-CD2 4.41Å; E140-Y144 HydrophobicContact CG-CE2 3.72Å |
| 141 | S | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 36.7 Ų | 36.7 | 79% | 0.79 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -60.9 | -24.2 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | P139 | P139-S141 PolarHBondContact O-N 3.24Š|
| 142 | E | 98.3 | Very high | 98.4 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -97.8 | 3.3 | 172.6 | -69.2 | -170.4 | -153.3 | 0 | 0 | 113.1 | P139 E140 K145 K167 | P139-E142 HydrophobicContact CG-CB 4.26Å; P139-E142 HydrophobicContact CG-CG 4.08Å; P139-E142 PolarHBondContact O-N 2.77Å; E140-E142 PolarHBondContact O-N 2.84Å; E142-K145 IonicContact OE2-NZ 2.84Å; E142-K145 PolarHBondContact OE2-NZ 3.34Å; E142-K167 WeakPolarHBondContact O-CD 3.4Å; E142-K167 WeakPolarHBondContact O-CG 3.5Å |
| 143 | G | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 31 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P139 E140 K145 F168 | P139-G143 PolarHBondContact O-N 3.37Å; E140-G143 WeakPolarHBondContact O-CA 3.2Å; E140-G143 PolarHBondContact O-N 2.88Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 3.46Å; G143-F168 PolarHBondContact O-N 2.92Å |
| 144 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 51.6 | 45.6 | -176.8 | -64.5 | -66.5 | 0 | 0 | 0 | 112.9 | W84 K88 L102 E103 H106 V137 G138 P139 E140 L146 W191 | W84-Y144 AromaticContact CH2-CD2 3.6Å; W84-Y144 HydrophobicContact CH2-CD2 3.6Å; W84-Y144 HydrophobicContact CH2-CE2 4.26Å; W84-Y144 AromaticContact CZ2-CD2 3.42Å; W84-Y144 HydrophobicContact CZ2-CD2 3.42Å; W84-Y144 VanDerWaalsContact CZ2-CD2 3.42Å; W84-Y144 AromaticContact CZ2-CE2 3.6Å; W84-Y144 HydrophobicContact CZ2-CE2 3.6Å; K88-Y144 HydrophobicContact CB-CE2 4.42Å; K88-Y144 HydrophobicContact CD-CE2 4.46Å; K88-Y144 WeakPolarHBondContact CE-OH 3.4Å; K88-Y144 HydrophobicContact CG-CE2 4.3Å; K88-Y144 WeakPolarHBondContact CG-OH 3.26Å; L102-Y144 HydrophobicContact CB-CD1 3.82Å; L102-Y144 HydrophobicContact CB-CD2 3.77Å; L102-Y144 HydrophobicContact CB-CE1 4Å; L102-Y144 HydrophobicContact CB-CE2 3.94Å; L102-Y144 HydrophobicContact CB-CG 3.71Å; L102-Y144 HydrophobicContact CD1-CD2 3.65Å; L102-Y144 HydrophobicContact CD1-CE2 4.22Å; L102-Y144 HydrophobicContact CD1-CG 4.1Å; L102-Y144 HydrophobicContact CD2-CG 4.39Å; L102-Y144 HydrophobicContact CG-CD2 4.25Å; L102-Y144 HydrophobicContact CG-CG 4.29Å; E103-Y144 WeakPolarHBondContact OE2-CE1 3.45Å; E103-Y144 PolarHBondContact OE2-OH 3.02Å; H106-Y144 HydrophobicContact CB-CD1 4.35Å; H106-Y144 HydrophobicContact CB-CE1 4.28Å; V137-Y144 HydrophobicContact CG1-CD1 3.88Å; V137-Y144 HydrophobicContact CG1-CG 4.23Å; G138-Y144 WeakPolarHBondContact O-CA 3.4Å; G138-Y144 VanDerWaalsContact O-CD1 3.28Å; G138-Y144 WeakPolarHBondContact O-CD1 3.39Å; P139-Y144 PolarHBondContact O-N 3.23Å; P139-Y144 VanDerWaalsContact O-N 3.09Å; E140-Y144 HydrophobicContact CB-CD2 4.49Å; E140-Y144 HydrophobicContact CB-CE1 4.04Å; E140-Y144 HydrophobicContact CB-CE2 3.82Å; E140-Y144 HydrophobicContact CG-CD2 4.41Å; E140-Y144 HydrophobicContact CG-CE2 3.72Å; Y144-L146 PolarHBondContact O-N 2.98Å; Y144-W191 PolarHBondContact O-NE1 3.06Å |
| 145 | K | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | trans | -55.1 | 131.4 | -177 | -173.6 | 179.4 | 73.6 | -147 | 0 | 111.7 | G138 E142 G143 N147 G165 K166 | G138-K145 PolarHBondContact N-O 3.21Å; E142-K145 IonicContact OE2-NZ 2.84Å; E142-K145 PolarHBondContact OE2-NZ 3.34Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 3.46Å; K145-N147 WeakPolarHBondContact CE-OD1 3.43Å; K145-G165 WeakPolarHBondContact CG-O 3.45Å; K145-K166 WeakPolarHBondContact CA-O 3.38Å | ||
| 146 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.2 | 173.9 | 175.6 | 62.4 | 0 | 0 | 0 | 110.1 | F135 Y144 L148 H163 G165 K166 W191 | F135-L146 HydrophobicContact CD2-CD1 3.64Å; F135-L146 HydrophobicContact CE2-CD1 3.46Å; F135-L146 VanDerWaalsContact CE2-CD1 3.46Å; F135-L146 HydrophobicContact CZ-CD1 4.46Å; Y144-L146 PolarHBondContact O-N 2.98Å; L146-L148 HydrophobicContact CG-CB 4.36Å; L146-H163 HydrophobicContact CD2-CB 4.09Å; L146-G165 VanDerWaalsContact O-CA 3.26Å; L146-G165 WeakPolarHBondContact O-CA 3.27Å; L146-G165 PolarHBondContact O-N 3.45Å; L146-K166 PolarHBondContact N-O 2.63Å; L146-W191 HydrophobicContact CB-CB 4.14Å; L146-W191 VanDerWaalsContact CB-CD1 3.46Å; L146-W191 HydrophobicContact CB-CD2 3.77Å; L146-W191 HydrophobicContact CB-CG 3.53Å; L146-W191 HydrophobicContact CD1-CD2 4.46Å; L146-W191 HydrophobicContact CD2-CB 4.24Å; L146-W191 HydrophobicContact CD2-CD2 4.06Å; L146-W191 HydrophobicContact CD2-CE3 4.11Å; L146-W191 HydrophobicContact CD2-CG 4.15Å; L146-W191 HydrophobicContact CG-CD2 4.32Å; L146-W191 HydrophobicContact CG-CG 4.41Å |
| 147 | N | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.9 | 163.1 | -45.8 | -74.4 | 0 | 0 | 0 | 108 | F135 S136 K145 | F135-N147 CarbonylContact C-O 3.57Å; F135-N147 WeakPolarHBondContact CA-O 3.39Å; S136-N147 PolarHBondContact N-O 2.59Å; S136-N147 PolarHBondContact O-N 3.13Å; S136-N147 WeakPolarHBondContact OG-CB 3.48Å; S136-N147 PolarHBondContact OG-ND2 2.62Å; S136-N147 VanDerWaalsContact OG-ND2 3.09Å; K145-N147 WeakPolarHBondContact CE-OD1 3.43Å |
| 148 | L | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.4 | -179.9 | -163.4 | 74.2 | 0 | 0 | 0 | 109.4 | L116 Y132 F135 L146 L160 S164 | L116-L148 HydrophobicContact CD2-CD1 3.82Å; Y132-L148 HydrophobicContact CD1-CD1 4.15Å; Y132-L148 HydrophobicContact CD1-CD2 3.44Å; Y132-L148 VanDerWaalsContact CD1-CD2 3.44Å; Y132-L148 HydrophobicContact CD1-CG 3.76Å; Y132-L148 HydrophobicContact CD2-CD1 4.41Å; Y132-L148 HydrophobicContact CE1-CD2 3.57Å; Y132-L148 HydrophobicContact CE1-CG 4.39Å; Y132-L148 HydrophobicContact CG-CD1 3.9Å; Y132-L148 HydrophobicContact CG-CD2 4.02Å; Y132-L148 HydrophobicContact CG-CG 4.03Å; F135-L148 HydrophobicContact CD2-CD1 4.26Å; L146-L148 HydrophobicContact CG-CB 4.36Å; L148-L160 HydrophobicContact CD1-CD2 4.01Å; L148-L160 HydrophobicContact CD2-CB 4Å; L148-L160 HydrophobicContact CD2-CD2 3.99Å; L148-L160 HydrophobicContact CD2-CG 3.77Å; L148-S164 WeakPolarHBondContact CB-OG 3.27Å; L148-S164 PolarHBondContact N-OG 2.88Å; L148-S164 PolarHBondContact O-OG 2.91Å |
| 149 | G | 98.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | trans | -73.6 | -174 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A134 | A134-G149 PolarHBondContact O-N 2.87Š| ||
| 150 | S | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | trans | -61.4 | 141.5 | 175 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | Y132 S133 I152 | Y132-S150 WeakPolarHBondContact CA-O 3.33Å; S133-S150 PolarHBondContact N-O 3.27Å; S133-S150 PolarHBondContact OG-N 3.4Å; S133-S150 PolarHBondContact OG-O 3.35Å; S133-S150 PolarHBondContact OG-OG 3.43Å; S150-I152 PolarHBondContact O-N 2.74Å | ||
| 151 | F | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 126.5 | 161.9 | 175.9 | -103.7 | 0 | 0 | 0 | 109.4 | A130 Y132 N153 D158 | A130-F151 HydrophobicContact CB-CE2 4.01Å; Y132-F151 HydrophobicContact CD1-CB 4.09Å; Y132-F151 HydrophobicContact CD1-CD2 4.41Å; Y132-F151 HydrophobicContact CE1-CB 3.84Å; Y132-F151 AromaticContact CE1-CD2 3.84Å; Y132-F151 HydrophobicContact CE1-CD2 3.84Å; Y132-F151 HydrophobicContact CE1-CG 4.34Å; Y132-F151 HydrophobicContact CE2-CD2 4.49Å; Y132-F151 AromaticContact CZ-CD2 3.87Å; F151-N153 VanDerWaalsContact CE2-O 3.22Å; F151-N153 WeakPolarHBondContact CE2-O 3.44Å; F151-N153 WeakPolarHBondContact CZ-O 3.25Å; F151-D158 HydrophobicContact CB-CB 4.23Å; F151-D158 WeakPolarHBondContact CB-OD2 3.3Å; F151-D158 HydrophobicContact CD1-CB 4.2Å; F151-D158 HydrophobicContact CD2-CB 3.88Å; F151-D158 HydrophobicContact CE2-CB 4.24Å; F151-D158 HydrophobicContact CG-CB 3.84Å |
| 152 | I | 97.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 40 Ų | 40 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -62.1 | -179.1 | -63.2 | 172.5 | 0 | 0 | 0 | 109.4 | H131 S150 | H131-I152 HydrophobicContact CB-CB 4.47Å; H131-I152 PolarHBondContact O-N 2.75Å; S150-I152 PolarHBondContact O-N 2.74Å |
| 153 | N | 96.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 35.9 Ų | 35.9 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 179.1 | -177.1 | 64.5 | 3.5 | 0 | 0 | 0 | 111.2 | F129 H131 F151 | F129-N153 WeakPolarHBondContact CE2-OD1 3.41Å; H131-N153 WeakPolarHBondContact CB-OD1 3.3Å; H131-N153 PolarHBondContact N-O 2.9Å; F151-N153 VanDerWaalsContact CE2-O 3.22Å; F151-N153 WeakPolarHBondContact CE2-O 3.44Å; F151-N153 WeakPolarHBondContact CZ-O 3.25Å |
| 154 | G | 96.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | trans | 132.2 | 135.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F129 A156 G157 | F129-G154 CarbonylContact O-C 3.57Å; F129-G154 WeakPolarHBondContact O-CA 3.44Å; G154-A156 PolarHBondContact O-N 3.12Å; G154-A156 VanDerWaalsContact O-N 3.11Å; G154-G157 PolarHBondContact O-N 3.14Å; G154-G157 VanDerWaalsContact O-N 3.16Å | ||
| 155 | A | 97.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V128 F129 G157 | V128-A155 HydrophobicContact CB-CB 4.2Å; V128-A155 HydrophobicContact CG1-CB 3.89Å; F129-A155 PolarHBondContact O-N 3.11Å; A155-G157 PolarHBondContact O-N 2.93Å |
| 156 | A | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M120 V128 F129 A130 G154 W217 T219 | M120-A156 HydrophobicContact CE-CB 3.26Å; M120-A156 HydrophobicContact SD-CB 4.36Å; V128-A156 HydrophobicContact CB-CB 4.08Å; V128-A156 HydrophobicContact CG2-CB 3.63Å; F129-A156 VanDerWaalsContact O-CB 3.25Å; F129-A156 WeakPolarHBondContact O-CB 3.27Å; F129-A156 PolarHBondContact O-N 3.35Å; F129-A156 VanDerWaalsContact O-N 3.08Å; A130-A156 HydrophobicContact CB-CB 4.31Å; G154-A156 PolarHBondContact O-N 3.12Å; G154-A156 VanDerWaalsContact O-N 3.11Å; A156-W217 VanDerWaalsContact O-CD1 3.28Å; A156-W217 PolarHBondContact O-NE1 2.86Å; A156-W217 VanDerWaalsContact O-NE1 3.13Å; A156-T219 CarbonylContact O-C 3.09Å; A156-T219 WeakPolarHBondContact O-CB 3.45Å; A156-T219 PolarHBondContact O-OG1 3.15Å |
| 157 | G | 98.4 | Very high | 98.2 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | trans | 68.3 | 178.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G154 A155 W217 T219 | G154-G157 PolarHBondContact O-N 3.14Å; G154-G157 VanDerWaalsContact O-N 3.16Å; A155-G157 PolarHBondContact O-N 2.93Å; G157-W217 PolarHBondContact O-NE1 2.8Å; G157-T219 VanDerWaalsContact C-OG1 3.29Å | ||
| 158 | D | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | trans | -99.3 | 102.8 | -174.7 | -173.9 | 7.1 | 0 | 0 | 0 | 112.3 | Y132 F151 L160 S161 | Y132-D158 WeakPolarHBondContact CE1-OD1 3.33Å; Y132-D158 PolarHBondContact OH-OD1 3.38Å; F151-D158 HydrophobicContact CB-CB 4.23Å; F151-D158 WeakPolarHBondContact CB-OD2 3.3Å; F151-D158 HydrophobicContact CD1-CB 4.2Å; F151-D158 HydrophobicContact CD2-CB 3.88Å; F151-D158 HydrophobicContact CE2-CB 4.24Å; F151-D158 HydrophobicContact CG-CB 3.84Å; D158-L160 PolarHBondContact OD1-N 3.32Å; D158-L160 VanDerWaalsContact OD1-N 3.15Å; D158-S161 VanDerWaalsContact CG-OG 3.23Å; D158-S161 PolarHBondContact OD1-N 3.15Å; D158-S161 PolarHBondContact OD1-OG 3.13Å; D158-S161 WeakPolarHBondContact OD2-CB 3.31Å; D158-S161 PolarHBondContact OD2-OG 2.91Å | ||
| 159 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -109.4 | -1.1 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | H163 N197 A198 W217 T218 T219 | S159-H163 PolarHBondContact O-CD2 2.82Å; S159-N197 WeakPolarHBondContact CB-O 3.38Å; S159-N197 VanDerWaalsContact O-CB 3.29Å; S159-N197 WeakPolarHBondContact O-CB 3.47Å; S159-A198 PolarHBondContact O-N 3.09Å; S159-W217 VanDerWaalsContact CB-CE2 3.49Å; S159-W217 PolarHBondContact OG-NE1 3.3Å; S159-T218 PolarHBondContact OG-N 3.06Å; S159-T219 WeakPolarHBondContact OG-CG2 3.18Å; S159-T219 PolarHBondContact OG-N 2.92Å; S159-T219 PolarHBondContact OG-OG1 3.25Å |
| 160 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -102.3 | -26.5 | -174.9 | -164 | 62.7 | 0 | 0 | 0 | 113.7 | L116 Y132 L148 D158 Y162 H163 F190 W217 M232 | L116-L160 HydrophobicContact CD2-CD2 3.43Å; L116-L160 VanDerWaalsContact CD2-CD2 3.43Å; Y132-L160 HydrophobicContact CD2-CD2 4.35Å; Y132-L160 HydrophobicContact CE1-CB 4.18Å; Y132-L160 HydrophobicContact CE2-CB 4.01Å; Y132-L160 HydrophobicContact CE2-CD2 3.98Å; Y132-L160 VanDerWaalsContact OH-CB 3.25Å; Y132-L160 WeakPolarHBondContact OH-CB 3.04Å; Y132-L160 PolarHBondContact OH-N 3.4Å; L148-L160 HydrophobicContact CD1-CD2 4.01Å; L148-L160 HydrophobicContact CD2-CB 4Å; L148-L160 HydrophobicContact CD2-CD2 3.99Å; L148-L160 HydrophobicContact CD2-CG 3.77Å; D158-L160 PolarHBondContact OD1-N 3.32Å; D158-L160 VanDerWaalsContact OD1-N 3.15Å; L160-Y162 PolarHBondContact O-N 2.96Å; L160-Y162 VanDerWaalsContact O-N 3.1Å; L160-H163 HydrophobicContact CD1-CB 4.27Å; L160-H163 WeakPolarHBondContact O-CA 3.4Å; L160-H163 VanDerWaalsContact O-CB 3.3Å; L160-H163 WeakPolarHBondContact O-CB 3.39Å; L160-H163 PolarHBondContact O-N 3Å; L160-F190 HydrophobicContact CD1-CE1 3.85Å; L160-F190 HydrophobicContact CD1-CZ 3.49Å; L160-F190 VanDerWaalsContact CD1-CZ 3.49Å; L160-W217 HydrophobicContact CB-CH2 3.66Å; L160-W217 HydrophobicContact CB-CZ2 4.42Å; L160-W217 HydrophobicContact CB-CZ3 4.26Å; L160-M232 HydrophobicContact CD2-CE 4.41Å |
| 161 | S | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58.7 | -28.3 | 178.5 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | D158 H163 S164 | D158-S161 VanDerWaalsContact CG-OG 3.23Å; D158-S161 PolarHBondContact OD1-N 3.15Å; D158-S161 PolarHBondContact OD1-OG 3.13Å; D158-S161 WeakPolarHBondContact OD2-CB 3.31Å; D158-S161 PolarHBondContact OD2-OG 2.91Å; S161-H163 PolarHBondContact O-N 2.88Å; S161-S164 WeakPolarHBondContact O-CB 3.44Å; S161-S164 PolarHBondContact O-N 3.37Å; S161-S164 VanDerWaalsContact O-N 3.11Å |
| 162 | Y | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -59.5 | -24.6 | 173.6 | -179.7 | -101 | 0 | 0 | 0 | 113.6 | L160 R193 D194 N197 | L160-Y162 PolarHBondContact O-N 2.96Å; L160-Y162 VanDerWaalsContact O-N 3.1Å; Y162-R193 HydrophobicContact CD1-CB 4.25Å; Y162-R193 HydrophobicContact CE1-CB 3.59Å; Y162-R193 HydrophobicContact CE1-CG 4.29Å; Y162-D194 PolarHBondContact OH-N 2.93Å; Y162-D194 PolarHBondContact OH-O 3.09Å; Y162-N197 WeakPolarHBondContact CB-ND2 3.43Å; Y162-N197 HydrophobicContact CD1-CB 4.26Å; Y162-N197 HydrophobicContact CG-CB 4.36Å |
| 163 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -92.7 | -8.3 | -179.8 | -62.3 | -92.2 | 0 | 0 | 0 | 113.2 | L146 S159 L160 S161 G165 K166 F190 W191 F196 N197 A198 | L146-H163 HydrophobicContact CD2-CB 4.09Å; S159-H163 PolarHBondContact O-CD2 2.82Å; L160-H163 HydrophobicContact CD1-CB 4.27Å; L160-H163 WeakPolarHBondContact O-CA 3.4Å; L160-H163 VanDerWaalsContact O-CB 3.3Å; L160-H163 WeakPolarHBondContact O-CB 3.39Å; L160-H163 PolarHBondContact O-N 3Å; S161-H163 PolarHBondContact O-N 2.88Å; H163-G165 PolarHBondContact O-N 2.88Å; H163-K166 WeakPolarHBondContact O-CB 3.33Å; H163-K166 WeakPolarHBondContact O-CG 3.02Å; H163-K166 PolarHBondContact O-N 3.12Å; H163-F190 HydrophobicContact CB-CE1 4.48Å; H163-F190 AromaticContact CE1-CD1 3.67Å; H163-F190 AromaticContact CE1-CE1 3.72Å; H163-F190 AromaticContact CG-CE1 3.82Å; H163-F190 AromaticContact ND1-CD1 3.6Å; H163-F190 AromaticContact ND1-CE1 3.59Å; H163-W191 HydrophobicContact CB-CB 4.29Å; H163-W191 WeakPolarHBondContact CB-O 3.36Å; H163-W191 PolarHBondContact ND1-O 2.76Å; H163-F196 VanDerWaalsContact CE1-CB 3.43Å; H163-F196 WeakPolarHBondContact CE1-CB 3.43Å; H163-N197 PolarHBondContact NE2-N 3Å; H163-A198 PolarHBondContact CE1-O 3.13Å; H163-A198 PolarHBondContact NE2-N 2.89Å; H163-A198 PolarHBondContact NE2-O 2.76Å |
| 164 | S | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 36 Ų | 36 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 138 | -179.5 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | L148 S161 K166 | L148-S164 WeakPolarHBondContact CB-OG 3.27Å; L148-S164 PolarHBondContact N-OG 2.88Å; L148-S164 PolarHBondContact O-OG 2.91Å; S161-S164 WeakPolarHBondContact O-CB 3.44Å; S161-S164 PolarHBondContact O-N 3.37Å; S161-S164 VanDerWaalsContact O-N 3.11Å; S164-K166 PolarHBondContact O-N 2.96Å |
| 165 | G | 98.7 | Very high | 98.5 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 0.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K145 L146 H163 | K145-G165 WeakPolarHBondContact CG-O 3.45Å; L146-G165 VanDerWaalsContact O-CA 3.26Å; L146-G165 WeakPolarHBondContact O-CA 3.27Å; L146-G165 PolarHBondContact O-N 3.45Å; H163-G165 PolarHBondContact O-N 2.88Å |
| 166 | K | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 151 | -179.4 | -53.2 | -63.6 | 153.3 | 176.8 | 0 | 111.9 | K145 L146 H163 S164 E177 W191 R193 | K145-K166 WeakPolarHBondContact CA-O 3.38Å; L146-K166 PolarHBondContact N-O 2.63Å; H163-K166 WeakPolarHBondContact O-CB 3.33Å; H163-K166 WeakPolarHBondContact O-CG 3.02Å; H163-K166 PolarHBondContact O-N 3.12Å; S164-K166 PolarHBondContact O-N 2.96Å; K166-E177 IonicContact NZ-OE1 3.42Å; K166-E177 PolarHBondContact NZ-OE1 3.09Å; K166-E177 IonicContact NZ-OE2 3.75Å; K166-E177 PolarHBondContact NZ-OE2 3.1Å; K166-W191 HydrophobicContact CB-CB 4.31Å; K166-W191 VanDerWaalsContact O-CD1 3.29Å; K166-R193 HydrophobicContact CD-CB 3.91Å; K166-R193 HydrophobicContact CD-CG 3.83Å; K166-R193 HydrophobicContact CG-CB 4.01Å; K166-R193 HydrophobicContact CG-CG 4.43Å |
| 167 | K | 98.9 | Very high | 98.6 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -81.1 | 157.4 | 174.8 | -60.8 | -176 | -175.8 | 175.2 | 0 | 109.5 | E142 Q175 W191 | E142-K167 WeakPolarHBondContact O-CD 3.4Å; E142-K167 WeakPolarHBondContact O-CG 3.5Å; K167-Q175 HydrophobicContact CB-CB 3.86Å; K167-Q175 HydrophobicContact CD-CB 4.49Å; K167-W191 WeakPolarHBondContact O-CA 3.17Å |
| 168 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 135.3 | 176.5 | -155.5 | -93.1 | 0 | 0 | 0 | 110.1 | W84 Y87 W99 L102 G143 T170 Q175 G189 W191 | W84-F168 HydrophobicContact CH2-CB 4.32Å; W84-F168 HydrophobicContact CZ3-CB 4.01Å; W84-F168 HydrophobicContact CZ3-CD1 4.12Å; W84-F168 WeakPolarHBondContact CZ3-O 3.24Å; Y87-F168 AromaticContact CD1-CE1 3.61Å; Y87-F168 HydrophobicContact CD1-CE1 3.61Å; Y87-F168 AromaticContact CD1-CZ 3.47Å; Y87-F168 HydrophobicContact CD1-CZ 3.47Å; Y87-F168 VanDerWaalsContact CD1-CZ 3.47Å; Y87-F168 HydrophobicContact CD2-CE1 4.17Å; Y87-F168 HydrophobicContact CE1-CE1 4.18Å; Y87-F168 AromaticContact CE1-CZ 3.79Å; Y87-F168 HydrophobicContact CE1-CZ 3.79Å; Y87-F168 AromaticContact CG-CE1 3.6Å; Y87-F168 HydrophobicContact CG-CE1 3.6Å; Y87-F168 AromaticContact CG-CZ 3.99Å; Y87-F168 HydrophobicContact CG-CZ 3.99Å; W99-F168 HydrophobicContact CH2-CE2 4.03Å; W99-F168 HydrophobicContact CH2-CZ 4.32Å; W99-F168 AromaticContact CZ2-CE2 3.96Å; W99-F168 HydrophobicContact CZ2-CE2 3.96Å; W99-F168 HydrophobicContact CZ2-CZ 4.04Å; L102-F168 HydrophobicContact CD1-CB 4.21Å; L102-F168 HydrophobicContact CD1-CD1 3.6Å; L102-F168 HydrophobicContact CD1-CD2 4.2Å; L102-F168 HydrophobicContact CD1-CE1 3.92Å; L102-F168 HydrophobicContact CD1-CE2 4.48Å; L102-F168 HydrophobicContact CD1-CG 3.74Å; L102-F168 HydrophobicContact CD1-CZ 4.34Å; L102-F168 HydrophobicContact CD2-CD2 3.71Å; L102-F168 HydrophobicContact CD2-CE2 3.9Å; L102-F168 HydrophobicContact CD2-CG 4.05Å; L102-F168 HydrophobicContact CD2-CZ 4.43Å; G143-F168 PolarHBondContact O-N 2.92Å; F168-T170 HydrophobicContact CD1-CG2 3.89Å; F168-T170 HydrophobicContact CE1-CG2 3.7Å; F168-Q175 PolarHBondContact O-OE1 2.03Å; F168-G189 WeakPolarHBondContact CZ-O 3.41Å; F168-W191 AromaticContact CD2-CD1 3.84Å; F168-W191 AromaticContact CD2-CD2 3.71Å; F168-W191 HydrophobicContact CD2-CD2 3.71Å; F168-W191 AromaticContact CD2-CE2 3.53Å; F168-W191 HydrophobicContact CD2-CE3 4.31Å; F168-W191 AromaticContact CD2-CG 3.93Å; F168-W191 HydrophobicContact CD2-CG 3.93Å; F168-W191 AromaticContact CD2-CZ2 3.99Å; F168-W191 HydrophobicContact CD2-CZ2 3.99Å; F168-W191 AromaticContact CD2-NE1 3.62Å; F168-W191 HydrophobicContact CE2-CD2 4.1Å; F168-W191 HydrophobicContact CE2-CE3 4.23Å; F168-W191 HydrophobicContact CE2-CH2 4.35Å; F168-W191 HydrophobicContact CE2-CZ2 4.21Å; F168-W191 HydrophobicContact CE2-CZ3 4.35Å |
| 169 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 139.1 | 178.8 | -68.2 | 0 | 0 | 0 | 0 | 109 | K173 Q175 D176 A183 G189 F190 Y192 | T169-K173 WeakPolarHBondContact CA-O 3.31Å; T169-Q175 VanDerWaalsContact OG1-C 3.31Å; T169-Q175 PolarHBondContact OG1-N 3.01Å; T169-D176 HydrophobicContact CG2-CB 4.44Å; T169-D176 WeakPolarHBondContact CG2-OD2 3.45Å; T169-D176 PolarHBondContact OG1-N 2.84Å; T169-A183 HydrophobicContact CG2-CB 3.77Å; T169-G189 WeakPolarHBondContact O-CA 3.39Å; T169-F190 PolarHBondContact N-O 3.16Å; T169-F190 PolarHBondContact O-N 2.91Å; T169-F190 VanDerWaalsContact O-N 3.1Å; T169-Y192 HydrophobicContact CG2-CD2 4.22Å |
| 170 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -133.9 | 175.2 | 172.3 | 55 | 0 | 0 | 0 | 0 | 110.4 | W84 Y87 F168 D172 K173 N181 A183 | W84-T170 HydrophobicContact CE3-CG2 4.14Å; W84-T170 PolarHBondContact N-OG1 2.67Å; Y87-T170 HydrophobicContact CD2-CG2 3.54Å; Y87-T170 HydrophobicContact CE2-CG2 4.2Å; Y87-T170 HydrophobicContact CG-CG2 4.07Å; F168-T170 HydrophobicContact CD1-CG2 3.89Å; F168-T170 HydrophobicContact CE1-CG2 3.7Å; T170-D172 PolarHBondContact O-N 3.23Å; T170-D172 VanDerWaalsContact O-N 3.14Å; T170-D172 PolarHBondContact OG1-OD1 2.97Å; T170-K173 PolarHBondContact N-O 2.89Å; T170-K173 CarbonylContact O-C 3.58Å; T170-K173 PolarHBondContact O-N 3.1Å; T170-K173 VanDerWaalsContact O-O 3.07Å; T170-N181 PolarHBondContact O-ND2 2.71Å; T170-A183 VanDerWaalsContact C-CB 3.43Å |
| 171 | T | 97.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.7 | -174.8 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | F81 R184 | F81-T171 HydrophobicContact CD2-CG2 3.58Å; F81-T171 HydrophobicContact CE1-CG2 4.33Å; F81-T171 HydrophobicContact CE2-CG2 3.09Å; F81-T171 HydrophobicContact CG-CG2 4.41Å; F81-T171 HydrophobicContact CZ-CG2 3.52Å; T171-R184 PolarHBondContact O-NE 3.4Å; T171-R184 PolarHBondContact O-NH2 3.38Å; T171-R184 VanDerWaalsContact O-NH2 3.08Å |
| 172 | D | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 44.3 Ų | 44.3 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 0 | -178.6 | 63.3 | -32.8 | 0 | 0 | 0 | 113.5 | K83 W84 T170 | K83-D172 VanDerWaalsContact CA-OD1 3.28Å; K83-D172 WeakPolarHBondContact CA-OD1 3.16Å; K83-D172 WeakPolarHBondContact CB-OD1 3.41Å; K83-D172 WeakPolarHBondContact CB-OD2 3.36Å; K83-D172 HydrophobicContact CG-CB 4.42Å; W84-D172 PolarHBondContact N-OD1 3.23Å; T170-D172 PolarHBondContact O-N 3.23Å; T170-D172 VanDerWaalsContact O-N 3.14Å; T170-D172 PolarHBondContact OG1-OD1 2.97Å |
| 173 | K | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -139.6 | 99.1 | 174.1 | -159.6 | 178.6 | -172.6 | -175.5 | 0 | 110.6 | W84 T169 T170 Q175 | W84-K173 HydrophobicContact CB-CB 4.31Å; W84-K173 HydrophobicContact CD2-CB 4.33Å; W84-K173 HydrophobicContact CD2-CD 3.37Å; W84-K173 HydrophobicContact CD2-CG 4.49Å; W84-K173 HydrophobicContact CE3-CB 3.98Å; W84-K173 HydrophobicContact CE3-CD 3.46Å; W84-K173 VanDerWaalsContact CE3-CD 3.46Å; W84-K173 HydrophobicContact CE3-CG 4.27Å; W84-K173 HydrophobicContact CG-CB 4.49Å; W84-K173 HydrophobicContact CG-CD 3.86Å; W84-K173 HydrophobicContact CH2-CD 3.98Å; W84-K173 HydrophobicContact CZ2-CD 3.95Å; W84-K173 HydrophobicContact CZ3-CD 3.75Å; T169-K173 WeakPolarHBondContact CA-O 3.31Å; T170-K173 PolarHBondContact N-O 2.89Å; T170-K173 CarbonylContact O-C 3.58Å; T170-K173 PolarHBondContact O-N 3.1Å; T170-K173 VanDerWaalsContact O-O 3.07Å; K173-Q175 HydrophobicContact CG-CG 4.12Å |
| 174 | D | 98.8 | Very high | 98.4 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | trans | -85.6 | 118.1 | 179.7 | -164.4 | -11.4 | 0 | 0 | 0 | 110.7 | D176 N181 | D174-D176 PolarHBondContact OD1-N 2.87Å; D174-N181 HydrophobicContact CB-CB 4.3Å; D174-N181 VanDerWaalsContact OD2-CA 3.23Å; D174-N181 WeakPolarHBondContact OD2-CA 3.14Å; D174-N181 VanDerWaalsContact OD2-CB 3.27Å; D174-N181 WeakPolarHBondContact OD2-CB 3.37Å; D174-N181 PolarHBondContact OD2-N 3.42Å | ||
| 175 | Q | 98.5 | Very high | 98.3 | Very high | 45 Ų | 45 | 51 Ų | 51 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | trans | -138.9 | 13.2 | -178 | -56 | -168.1 | -137.9 | 0 | 0 | 112.7 | K167 F168 T169 K173 | K167-Q175 HydrophobicContact CB-CB 3.86Å; K167-Q175 HydrophobicContact CD-CB 4.49Å; F168-Q175 PolarHBondContact O-OE1 2.03Å; T169-Q175 VanDerWaalsContact OG1-C 3.31Å; T169-Q175 PolarHBondContact OG1-N 3.01Å; K173-Q175 HydrophobicContact CG-CG 4.12Å | ||
| 176 | D | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -88.1 | -177.9 | 179.2 | 63.1 | 60.5 | 0 | 0 | 0 | 111.6 | T169 D174 H178 C182 | T169-D176 HydrophobicContact CG2-CB 4.44Å; T169-D176 WeakPolarHBondContact CG2-OD2 3.45Å; T169-D176 PolarHBondContact OG1-N 2.84Å; D174-D176 PolarHBondContact OD1-N 2.87Å; D176-H178 WeakPolarHBondContact OD1-CB 3.45Å; D176-H178 PolarHBondContact OD1-N 3.36Å; D176-C182 VanDerWaalsContact CG-SG 3.59Å; D176-C182 WeakPolarHBondContact OD2-CB 3.43Å; D176-C182 PolarHBondContact OD2-N 3.41Å |
| 177 | E | 98.3 | Very high | 98.1 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -100.2 | -1.2 | -177.2 | -62.6 | 178.1 | 171.7 | 0 | 0 | 112.1 | K166 R193 | K166-E177 IonicContact NZ-OE1 3.42Å; K166-E177 PolarHBondContact NZ-OE1 3.09Å; K166-E177 IonicContact NZ-OE2 3.75Å; K166-E177 PolarHBondContact NZ-OE2 3.1Å; E177-R193 WeakPolarHBondContact CA-O 2.97Å; E177-R193 HydrophobicContact CB-CG 4.47Å; E177-R193 WeakPolarHBondContact CB-O 3.42Å; E177-R193 HydrophobicContact CG-CG 4.49Å; E177-R193 PolarHBondContact N-O 3.46Å; E177-R193 WeakPolarHBondContact OE2-CG 3.33Å; E177-R193 IonicContact OE2-NE 3.32Å; E177-R193 PolarHBondContact OE2-NE 3.45Å |
| 178 | H | 98 | Very high | 98 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 30% | 0.296 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -79.9 | 153.2 | -177.9 | -172.9 | -85.3 | 0 | 0 | 0 | 110.6 | D176 S180 C182 R193 D194 | D176-H178 WeakPolarHBondContact OD1-CB 3.45Å; D176-H178 PolarHBondContact OD1-N 3.36Å; H178-S180 WeakPolarHBondContact CB-O 3.47Å; H178-S180 PolarHBondContact ND1-N 2.68Å; H178-S180 PolarHBondContact ND1-O 2.66Å; H178-S180 PolarHBondContact O-N 2.86Å; H178-C182 WeakPolarHBondContact CB-SG 3.38Å; H178-R193 PolarHBondContact N-O 2.86Å; H178-D194 VanDerWaalsContact CA-OD1 3.24Å; H178-D194 WeakPolarHBondContact CA-OD1 3.16Å; H178-D194 WeakPolarHBondContact CB-OD1 3.24Å; H178-D194 IonicContact CD2-OD1 2.78Å; H178-D194 PolarHBondContact CD2-OD1 3.38Å; H178-D194 IonicContact CG-OD1 3.79Å; H178-D194 VanDerWaalsContact CG-OD1 3.23Å |
| 179 | G | 97.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 84% | 0.835 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -69.3 | 5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 180 | S | 97.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -158 | 153.8 | -178.2 | -64.6 | 0 | 0 | 0 | 0 | 107.6 | H178 C182 | H178-S180 WeakPolarHBondContact CB-O 3.47Å; H178-S180 PolarHBondContact ND1-N 2.68Å; H178-S180 PolarHBondContact ND1-O 2.66Å; H178-S180 PolarHBondContact O-N 2.86Å; S180-C182 PolarHBondContact O-N 3.19Å; S180-C182 VanDerWaalsContact O-N 3.12Å |
| 181 | N | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -65 | 111.6 | -175.6 | -175.6 | -47.1 | 0 | 0 | 0 | 112.7 | T170 D174 A183 R184 L185 | T170-N181 PolarHBondContact O-ND2 2.71Å; D174-N181 HydrophobicContact CB-CB 4.3Å; D174-N181 VanDerWaalsContact OD2-CA 3.23Å; D174-N181 WeakPolarHBondContact OD2-CA 3.14Å; D174-N181 VanDerWaalsContact OD2-CB 3.27Å; D174-N181 WeakPolarHBondContact OD2-CB 3.37Å; D174-N181 PolarHBondContact OD2-N 3.42Å; N181-A183 VanDerWaalsContact C-N 3.32Å; N181-A183 PolarHBondContact O-N 3.1Å; N181-A183 WeakPolarHBondContact OD1-CA 3.47Å; N181-A183 VanDerWaalsContact OD1-CB 3.24Å; N181-A183 WeakPolarHBondContact OD1-CB 3.46Å; N181-A183 PolarHBondContact OD1-N 3.22Å; N181-R184 HydrophobicContact CB-CB 4.39Å; N181-R184 HydrophobicContact CB-CG 4.13Å; N181-R184 PolarHBondContact O-N 2.71Å; N181-R184 VanDerWaalsContact O-N 3.15Å; N181-R184 PolarHBondContact OD1-N 3.32Å; N181-R184 VanDerWaalsContact OD1-N 3.14Å; N181-L185 PolarHBondContact O-N 3.23Å | ||
| 182 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | -180 | -71 | 0 | 0 | 0 | 0 | 112.4 | D176 H178 S180 R184 L185 T186 Y192 C195 | D176-C182 VanDerWaalsContact CG-SG 3.59Å; D176-C182 WeakPolarHBondContact OD2-CB 3.43Å; D176-C182 PolarHBondContact OD2-N 3.41Å; H178-C182 WeakPolarHBondContact CB-SG 3.38Å; S180-C182 PolarHBondContact O-N 3.19Å; S180-C182 VanDerWaalsContact O-N 3.12Å; C182-R184 PolarHBondContact O-N 2.54Å; C182-R184 VanDerWaalsContact O-N 3.12Å; C182-L185 PolarHBondContact O-N 2.98Å; C182-T186 WeakPolarHBondContact O-CG2 3.45Å; C182-T186 PolarHBondContact O-N 2.89Å; C182-T186 PolarHBondContact O-OG1 2.87Å; C182-Y192 HydrophobicContact CB-CD1 4.33Å; C182-Y192 HydrophobicContact CB-CD2 3.76Å; C182-Y192 HydrophobicContact CB-CG 3.66Å; C182-C195 VanDerWaalsContact CA-SG 3.54Å; C182-C195 HydrophobicContact CB-CB 3.64Å; C182-C195 WeakPolarHBondContact CB-SG 3.25Å; C182-C195 WeakPolarHBondContact SG-CA 3.3Å; C182-C195 WeakPolarHBondContact SG-CB 3.36Å; C182-C195 CovalentContact SG-SG 2.03Å; C182-C195 PolarHBondContact SG-SG 3.14Å |
| 183 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -28.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | F81 T169 T170 N181 Y187 G188 Y192 | F81-A183 WeakPolarHBondContact CE2-O 3.43Å; T169-A183 HydrophobicContact CG2-CB 3.77Å; T170-A183 VanDerWaalsContact C-CB 3.43Å; N181-A183 VanDerWaalsContact C-N 3.32Å; N181-A183 PolarHBondContact O-N 3.1Å; N181-A183 WeakPolarHBondContact OD1-CA 3.47Å; N181-A183 VanDerWaalsContact OD1-CB 3.24Å; N181-A183 WeakPolarHBondContact OD1-CB 3.46Å; N181-A183 PolarHBondContact OD1-N 3.22Å; A183-Y187 WeakPolarHBondContact O-CA 3.49Å; A183-Y187 PolarHBondContact O-N 2.99Å; A183-Y187 VanDerWaalsContact O-N 3.13Å; A183-G188 WeakPolarHBondContact CA-O 3.11Å; A183-G188 WeakPolarHBondContact CB-O 3.2Å; A183-G188 PolarHBondContact O-N 2.95Å; A183-Y192 HydrophobicContact CB-CD2 4.27Å; A183-Y192 HydrophobicContact CB-CE2 3.92Å |
| 184 | R | 97.6 | Very high | 97.9 | Very high | 155 Ų | 155 | 48.6 Ų | 48.6 | 59% | 0.585 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77.4 | -34 | 172.9 | -66.4 | -175.7 | 179.3 | -170.7 | -1.5 | 113.2 | T171 N181 C182 | T171-R184 PolarHBondContact O-NE 3.4Å; T171-R184 PolarHBondContact O-NH2 3.38Å; T171-R184 VanDerWaalsContact O-NH2 3.08Å; N181-R184 HydrophobicContact CB-CB 4.39Å; N181-R184 HydrophobicContact CB-CG 4.13Å; N181-R184 PolarHBondContact O-N 2.71Å; N181-R184 VanDerWaalsContact O-N 3.15Å; N181-R184 PolarHBondContact OD1-N 3.32Å; N181-R184 VanDerWaalsContact OD1-N 3.14Å; C182-R184 PolarHBondContact O-N 2.54Å; C182-R184 VanDerWaalsContact O-N 3.12Å |
| 185 | L | 96.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75 | -33.2 | 179.9 | -63 | 175.5 | 0 | 0 | 0 | 112 | N181 C182 Y187 | N181-L185 PolarHBondContact O-N 3.23Å; C182-L185 PolarHBondContact O-N 2.98Å; L185-Y187 WeakPolarHBondContact O-CE2 3.37Å |
| 186 | T | 95.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -111.4 | 0.5 | -170.4 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | C182 G188 Y192 C195 F196 N199 | C182-T186 WeakPolarHBondContact O-CG2 3.45Å; C182-T186 PolarHBondContact O-N 2.89Å; C182-T186 PolarHBondContact O-OG1 2.87Å; T186-G188 PolarHBondContact O-N 3.43Å; T186-Y192 PolarHBondContact OG1-OH 3.09Å; T186-C195 HydrophobicContact CG2-CB 4.34Å; T186-F196 HydrophobicContact CG2-CD1 3.55Å; T186-F196 HydrophobicContact CG2-CE1 3.36Å; T186-N199 PolarHBondContact O-ND2 3.33Å |
| 187 | Y | 96.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 38.6 | 171.6 | -53.3 | -89.2 | 0 | 0 | 0 | 115.4 | F81 A183 L185 I203 A213 | F81-Y187 VanDerWaalsContact CD2-C 3.44Å; F81-Y187 VanDerWaalsContact CD2-CA 3.49Å; F81-Y187 HydrophobicContact CE2-CD1 4.24Å; F81-Y187 HydrophobicContact CZ-CD1 4.32Å; A183-Y187 WeakPolarHBondContact O-CA 3.49Å; A183-Y187 PolarHBondContact O-N 2.99Å; A183-Y187 VanDerWaalsContact O-N 3.13Å; L185-Y187 WeakPolarHBondContact O-CE2 3.37Å; Y187-I203 VanDerWaalsContact CB-CD1 3.48Å; Y187-I203 HydrophobicContact CD1-CD1 3.77Å; Y187-I203 HydrophobicContact CD2-CD1 3.67Å; Y187-I203 HydrophobicContact CE1-CD1 4.39Å; Y187-I203 HydrophobicContact CE2-CD1 4.32Å; Y187-I203 HydrophobicContact CG-CD1 3.36Å; Y187-I203 HydrophobicContact CG-CG1 4.02Å; Y187-A213 HydrophobicContact CD2-CB 3.79Å; Y187-A213 HydrophobicContact CE2-CB 4.06Å |
| 188 | G | 97.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -159 | 165.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A183 T186 Y192 N201 | A183-G188 WeakPolarHBondContact CA-O 3.11Å; A183-G188 WeakPolarHBondContact CB-O 3.2Å; A183-G188 PolarHBondContact O-N 2.95Å; T186-G188 PolarHBondContact O-N 3.43Å; G188-Y192 VanDerWaalsContact O-CE2 3.3Å; G188-Y192 WeakPolarHBondContact O-CE2 3.38Å; G188-Y192 PolarHBondContact O-OH 3.28Å; G188-N201 VanDerWaalsContact CA-O 3.31Å; G188-N201 WeakPolarHBondContact CA-O 3.38Å |
| 189 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -94.3 | 132.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y87 F168 T169 N201 | Y87-G189 PolarHBondContact OH-N 3.27Å; Y87-G189 PolarHBondContact OH-O 2.95Å; F168-G189 WeakPolarHBondContact CZ-O 3.41Å; T169-G189 WeakPolarHBondContact O-CA 3.39Å; G189-N201 WeakPolarHBondContact O-CB 3.46Å; G189-N201 PolarHBondContact O-ND2 3.04Å | ||
| 190 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -161.1 | 174 | 177.6 | -154.3 | -128 | 0 | 0 | 0 | 112.7 | L160 H163 T169 Y192 A198 P200 | L160-F190 HydrophobicContact CD1-CE1 3.85Å; L160-F190 HydrophobicContact CD1-CZ 3.49Å; L160-F190 VanDerWaalsContact CD1-CZ 3.49Å; H163-F190 HydrophobicContact CB-CE1 4.48Å; H163-F190 AromaticContact CE1-CD1 3.67Å; H163-F190 AromaticContact CE1-CE1 3.72Å; H163-F190 AromaticContact CG-CE1 3.82Å; H163-F190 AromaticContact ND1-CD1 3.6Å; H163-F190 AromaticContact ND1-CE1 3.59Å; T169-F190 PolarHBondContact N-O 3.16Å; T169-F190 PolarHBondContact O-N 2.91Å; T169-F190 VanDerWaalsContact O-N 3.1Å; F190-Y192 HydrophobicContact CB-CD1 4Å; F190-Y192 HydrophobicContact CB-CD2 4.09Å; F190-Y192 HydrophobicContact CB-CE1 3.58Å; F190-Y192 HydrophobicContact CB-CE2 3.66Å; F190-Y192 HydrophobicContact CB-CG 4.24Å; F190-Y192 HydrophobicContact CD1-CD1 4.41Å; F190-Y192 HydrophobicContact CD1-CE1 4.25Å; F190-Y192 HydrophobicContact CG-CE1 4.39Å; F190-Y192 PolarHBondContact O-N 2.96Å; F190-A198 WeakPolarHBondContact CD1-O 3.24Å; F190-A198 HydrophobicContact CE1-CB 4.38Å; F190-A198 WeakPolarHBondContact CE1-O 3.36Å; F190-P200 HydrophobicContact CD1-CG 4.43Å; F190-P200 HydrophobicContact CD2-CG 3.52Å; F190-P200 HydrophobicContact CE1-CG 4.09Å; F190-P200 HydrophobicContact CE2-CG 3.11Å; F190-P200 HydrophobicContact CG-CG 4.18Å; F190-P200 HydrophobicContact CZ-CG 3.42Å; F190-P200 VanDerWaalsContact CZ-CG 3.42Å |
| 191 | W | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | trans | -75.4 | 60.2 | 170.7 | -61.5 | -80 | 0 | 0 | 0 | 111.5 | W99 L102 F135 V137 Y144 L146 H163 K166 K167 F168 | W99-W191 AromaticContact CH2-CH2 3.76Å; W99-W191 HydrophobicContact CH2-CH2 3.76Å; W99-W191 HydrophobicContact CH2-CZ3 4.07Å; W99-W191 HydrophobicContact CZ2-CH2 4.38Å; L102-W191 HydrophobicContact CD2-CZ2 3.83Å; F135-W191 HydrophobicContact CE2-CH2 4.21Å; F135-W191 HydrophobicContact CZ-CH2 4.16Å; V137-W191 HydrophobicContact CG2-CH2 4.49Å; V137-W191 HydrophobicContact CG2-CZ2 3.85Å; Y144-W191 PolarHBondContact O-NE1 3.06Å; L146-W191 HydrophobicContact CB-CB 4.14Å; L146-W191 VanDerWaalsContact CB-CD1 3.46Å; L146-W191 HydrophobicContact CB-CD2 3.77Å; L146-W191 HydrophobicContact CB-CG 3.53Å; L146-W191 HydrophobicContact CD1-CD2 4.46Å; L146-W191 HydrophobicContact CD2-CB 4.24Å; L146-W191 HydrophobicContact CD2-CD2 4.06Å; L146-W191 HydrophobicContact CD2-CE3 4.11Å; L146-W191 HydrophobicContact CD2-CG 4.15Å; L146-W191 HydrophobicContact CG-CD2 4.32Å; L146-W191 HydrophobicContact CG-CG 4.41Å; H163-W191 HydrophobicContact CB-CB 4.29Å; H163-W191 WeakPolarHBondContact CB-O 3.36Å; H163-W191 PolarHBondContact ND1-O 2.76Å; K166-W191 HydrophobicContact CB-CB 4.31Å; K166-W191 VanDerWaalsContact O-CD1 3.29Å; K167-W191 WeakPolarHBondContact O-CA 3.17Å; F168-W191 AromaticContact CD2-CD1 3.84Å; F168-W191 AromaticContact CD2-CD2 3.71Å; F168-W191 HydrophobicContact CD2-CD2 3.71Å; F168-W191 AromaticContact CD2-CE2 3.53Å; F168-W191 HydrophobicContact CD2-CE3 4.31Å; F168-W191 AromaticContact CD2-CG 3.93Å; F168-W191 HydrophobicContact CD2-CG 3.93Å; F168-W191 AromaticContact CD2-CZ2 3.99Å; F168-W191 HydrophobicContact CD2-CZ2 3.99Å; F168-W191 AromaticContact CD2-NE1 3.62Å; F168-W191 HydrophobicContact CE2-CD2 4.1Å; F168-W191 HydrophobicContact CE2-CE3 4.23Å; F168-W191 HydrophobicContact CE2-CH2 4.35Å; F168-W191 HydrophobicContact CE2-CZ2 4.21Å; F168-W191 HydrophobicContact CE2-CZ3 4.35Å | ||
| 192 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -66.1 | 149.9 | -176.3 | -64.3 | -57.4 | 0 | 0 | 0 | 112.5 | T169 C182 A183 T186 G188 F190 C195 F196 N199 | T169-Y192 HydrophobicContact CG2-CD2 4.22Å; C182-Y192 HydrophobicContact CB-CD1 4.33Å; C182-Y192 HydrophobicContact CB-CD2 3.76Å; C182-Y192 HydrophobicContact CB-CG 3.66Å; A183-Y192 HydrophobicContact CB-CD2 4.27Å; A183-Y192 HydrophobicContact CB-CE2 3.92Å; T186-Y192 PolarHBondContact OG1-OH 3.09Å; G188-Y192 VanDerWaalsContact O-CE2 3.3Å; G188-Y192 WeakPolarHBondContact O-CE2 3.38Å; G188-Y192 PolarHBondContact O-OH 3.28Å; F190-Y192 HydrophobicContact CB-CD1 4Å; F190-Y192 HydrophobicContact CB-CD2 4.09Å; F190-Y192 HydrophobicContact CB-CE1 3.58Å; F190-Y192 HydrophobicContact CB-CE2 3.66Å; F190-Y192 HydrophobicContact CB-CG 4.24Å; F190-Y192 HydrophobicContact CD1-CD1 4.41Å; F190-Y192 HydrophobicContact CD1-CE1 4.25Å; F190-Y192 HydrophobicContact CG-CE1 4.39Å; F190-Y192 PolarHBondContact O-N 2.96Å; Y192-C195 WeakPolarHBondContact CA-O 3.29Å; Y192-F196 HydrophobicContact CD1-CB 3.85Å; Y192-F196 HydrophobicContact CE1-CB 4Å; Y192-F196 HydrophobicContact CE1-CD1 4.4Å; Y192-F196 HydrophobicContact CE1-CG 4.43Å; Y192-N199 PolarHBondContact OH-OD1 2.91Å | ||
| 193 | R | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 36% | 0.362 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -112 | -82.8 | 171 | -174.6 | -177.2 | 178.1 | -165.6 | -8.5 | 110 | Y162 K166 E177 H178 C195 | Y162-R193 HydrophobicContact CD1-CB 4.25Å; Y162-R193 HydrophobicContact CE1-CB 3.59Å; Y162-R193 HydrophobicContact CE1-CG 4.29Å; K166-R193 HydrophobicContact CD-CB 3.91Å; K166-R193 HydrophobicContact CD-CG 3.83Å; K166-R193 HydrophobicContact CG-CB 4.01Å; K166-R193 HydrophobicContact CG-CG 4.43Å; E177-R193 WeakPolarHBondContact CA-O 2.97Å; E177-R193 HydrophobicContact CB-CG 4.47Å; E177-R193 WeakPolarHBondContact CB-O 3.42Å; E177-R193 HydrophobicContact CG-CG 4.49Å; E177-R193 PolarHBondContact N-O 3.46Å; E177-R193 WeakPolarHBondContact OE2-CG 3.33Å; E177-R193 IonicContact OE2-NE 3.32Å; E177-R193 PolarHBondContact OE2-NE 3.45Å; H178-R193 PolarHBondContact N-O 2.86Å; R193-C195 PolarHBondContact N-O 3.14Å |
| 194 | D | 97.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 35 Ų | 35 | 48% | 0.476 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -156.1 | 61.5 | -176.1 | -170.1 | 34.3 | 0 | 0 | 0 | 112.6 | Y162 H178 | Y162-D194 PolarHBondContact OH-N 2.93Å; Y162-D194 PolarHBondContact OH-O 3.09Å; H178-D194 VanDerWaalsContact CA-OD1 3.24Å; H178-D194 WeakPolarHBondContact CA-OD1 3.16Å; H178-D194 WeakPolarHBondContact CB-OD1 3.24Å; H178-D194 IonicContact CD2-OD1 2.78Å; H178-D194 PolarHBondContact CD2-OD1 3.38Å; H178-D194 IonicContact CG-OD1 3.79Å; H178-D194 VanDerWaalsContact CG-OD1 3.23Å |
| 195 | C | 96.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 14% | 0.135 | 14% | 0.139 | C | C | . | . | S | Bend | cis | -98.4 | -50.3 | -9.6 | -78.9 | 0 | 0 | 0 | 0 | 112.1 | C182 T186 Y192 R193 | C182-C195 VanDerWaalsContact CA-SG 3.54Å; C182-C195 HydrophobicContact CB-CB 3.64Å; C182-C195 WeakPolarHBondContact CB-SG 3.25Å; C182-C195 WeakPolarHBondContact SG-CA 3.3Å; C182-C195 WeakPolarHBondContact SG-CB 3.36Å; C182-C195 CovalentContact SG-SG 2.03Å; C182-C195 PolarHBondContact SG-SG 3.14Å; T186-C195 HydrophobicContact CG2-CB 4.34Å; Y192-C195 WeakPolarHBondContact CA-O 3.29Å; R193-C195 PolarHBondContact N-O 3.14Å |
| 196 | F | 97.9 | Very high | 97.2 | Very high | 20 Ų | 20 | 33 Ų | 33 | 9% | 0.088 | 15% | 0.148 | C | C | . | . | trans | -156.4 | 157.4 | -173.4 | 71.1 | -87.6 | 0 | 0 | 0 | 114.7 | H163 T186 Y192 A198 N199 A212 Q216 L223 | H163-F196 VanDerWaalsContact CE1-CB 3.43Å; H163-F196 WeakPolarHBondContact CE1-CB 3.43Å; T186-F196 HydrophobicContact CG2-CD1 3.55Å; T186-F196 HydrophobicContact CG2-CE1 3.36Å; Y192-F196 HydrophobicContact CD1-CB 3.85Å; Y192-F196 HydrophobicContact CE1-CB 4Å; Y192-F196 HydrophobicContact CE1-CD1 4.4Å; Y192-F196 HydrophobicContact CE1-CG 4.43Å; F196-A198 WeakPolarHBondContact CB-O 3.39Å; F196-N199 HydrophobicContact CD2-CB 3.74Å; F196-N199 HydrophobicContact CE1-CB 4.38Å; F196-N199 HydrophobicContact CE2-CB 3.58Å; F196-N199 HydrophobicContact CG-CB 4.2Å; F196-N199 HydrophobicContact CZ-CB 3.89Å; F196-A212 HydrophobicContact CE1-CB 3.87Å; F196-A212 WeakPolarHBondContact CE1-O 3.22Å; F196-A212 HydrophobicContact CZ-CB 3.73Å; F196-A212 WeakPolarHBondContact CZ-O 3.49Å; F196-Q216 HydrophobicContact CE2-CB 4.32Å; F196-L223 HydrophobicContact CE2-CD2 3.62Å; F196-L223 HydrophobicContact CZ-CD2 3.95Å | ||
| 197 | N | 98.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 33.1 Ų | 33.1 | 32% | 0.321 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -109.3 | -19.6 | 157.5 | -72.1 | -5.8 | 0 | 0 | 0 | 111.4 | S159 Y162 H163 T218 | S159-N197 WeakPolarHBondContact CB-O 3.38Å; S159-N197 VanDerWaalsContact O-CB 3.29Å; S159-N197 WeakPolarHBondContact O-CB 3.47Å; Y162-N197 WeakPolarHBondContact CB-ND2 3.43Å; Y162-N197 HydrophobicContact CD1-CB 4.26Å; Y162-N197 HydrophobicContact CG-CB 4.36Å; H163-N197 PolarHBondContact NE2-N 3Å; N197-T218 VanDerWaalsContact O-CB 3.25Å; N197-T218 WeakPolarHBondContact O-CB 3.36Å; N197-T218 PolarHBondContact O-N 2.85Å; N197-T218 PolarHBondContact O-OG1 2.87Å |
| 198 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S159 H163 F190 F196 Q216 W217 | S159-A198 PolarHBondContact O-N 3.09Å; H163-A198 PolarHBondContact CE1-O 3.13Å; H163-A198 PolarHBondContact NE2-N 2.89Å; H163-A198 PolarHBondContact NE2-O 2.76Å; F190-A198 WeakPolarHBondContact CD1-O 3.24Å; F190-A198 HydrophobicContact CE1-CB 4.38Å; F190-A198 WeakPolarHBondContact CE1-O 3.36Å; F196-A198 WeakPolarHBondContact CB-O 3.39Å; A198-Q216 WeakPolarHBondContact CA-O 3.42Å; A198-W217 HydrophobicContact CB-CD2 4.42Å; A198-W217 HydrophobicContact CB-CE3 3.65Å; A198-W217 HydrophobicContact CB-CZ3 3.84Å |
| 199 | N | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 67.7 | 175.1 | -168.3 | 28.8 | 0 | 0 | 0 | 110.7 | T186 Y192 F196 N201 G202 G214 V215 Q216 | T186-N199 PolarHBondContact O-ND2 3.33Å; Y192-N199 PolarHBondContact OH-OD1 2.91Å; F196-N199 HydrophobicContact CD2-CB 3.74Å; F196-N199 HydrophobicContact CE1-CB 4.38Å; F196-N199 HydrophobicContact CE2-CB 3.58Å; F196-N199 HydrophobicContact CG-CB 4.2Å; F196-N199 HydrophobicContact CZ-CB 3.89Å; N199-N201 PolarHBondContact O-N 2.75Å; N199-N201 VanDerWaalsContact O-N 3.15Å; N199-G202 WeakPolarHBondContact ND2-CA 3.42Å; N199-G202 PolarHBondContact O-N 2.63Å; N199-G214 PolarHBondContact ND2-O 3.19Å; N199-G214 VanDerWaalsContact ND2-O 3.14Å; N199-V215 WeakPolarHBondContact O-CA 3.07Å; N199-Q216 HydrophobicContact CB-CB 4.29Å; N199-Q216 PolarHBondContact N-O 3.41Å; N199-Q216 PolarHBondContact O-N 3.22Å; N199-Q216 VanDerWaalsContact O-N 3.09Å |
| 200 | P | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.6 | -175.2 | 27.3 | -36.2 | 0 | 0 | 0 | 113.4 | Q71 R73 F190 M230 M232 | Q71-P200 PolarHBondContact NE2-O 2.88Å; R73-P200 WeakPolarHBondContact CG-O 3.38Å; R73-P200 PolarHBondContact NH1-O 3.2Å; F190-P200 HydrophobicContact CD1-CG 4.43Å; F190-P200 HydrophobicContact CD2-CG 3.52Å; F190-P200 HydrophobicContact CE1-CG 4.09Å; F190-P200 HydrophobicContact CE2-CG 3.11Å; F190-P200 HydrophobicContact CG-CG 4.18Å; F190-P200 HydrophobicContact CZ-CG 3.42Å; F190-P200 VanDerWaalsContact CZ-CG 3.42Å; P200-M230 WeakPolarHBondContact CA-SD 3.36Å; P200-M230 HydrophobicContact CB-SD 3.24Å; P200-M230 WeakPolarHBondContact CB-SD 3.38Å; P200-M232 HydrophobicContact CB-SD 4.35Å; P200-M232 HydrophobicContact CG-SD 4.33Å |
| 201 | N | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 11.6 | -172.9 | -66.7 | -22.5 | 0 | 0 | 0 | 113 | Q71 F80 Y87 G188 G189 N199 | Q71-N201 PolarHBondContact NE2-OD1 3.49Å; F80-N201 HydrophobicContact CB-CB 4.38Å; F80-N201 VanDerWaalsContact CB-O 3.27Å; F80-N201 WeakPolarHBondContact CB-O 3.37Å; F80-N201 HydrophobicContact CD1-CB 4.02Å; F80-N201 WeakPolarHBondContact CD1-OD1 3.34Å; Y87-N201 WeakPolarHBondContact OH-CB 3.45Å; G188-N201 VanDerWaalsContact CA-O 3.31Å; G188-N201 WeakPolarHBondContact CA-O 3.38Å; G189-N201 WeakPolarHBondContact O-CB 3.46Å; G189-N201 PolarHBondContact O-ND2 3.04Å; N199-N201 PolarHBondContact O-N 2.75Å; N199-N201 VanDerWaalsContact O-N 3.15Å |
| 202 | G | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -66.4 | -177.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R73 N199 Y204 A213 | R73-G202 PolarHBondContact NH1-O 3.4Å; R73-G202 PolarHBondContact NH2-O 3.26Å; R73-G202 VanDerWaalsContact NH2-O 3.16Å; N199-G202 WeakPolarHBondContact ND2-CA 3.42Å; N199-G202 PolarHBondContact O-N 2.63Å; G202-Y204 PolarHBondContact O-N 2.81Å; G202-A213 WeakPolarHBondContact CA-O 3.47Å |
| 203 | I | 95.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 45 Ų | 45 | 35% | 0.354 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -62.6 | 134.2 | 177.1 | -67.2 | 162.4 | 0 | 0 | 0 | 108.9 | Y187 T205 A213 G214 V215 | Y187-I203 VanDerWaalsContact CB-CD1 3.48Å; Y187-I203 HydrophobicContact CD1-CD1 3.77Å; Y187-I203 HydrophobicContact CD2-CD1 3.67Å; Y187-I203 HydrophobicContact CE1-CD1 4.39Å; Y187-I203 HydrophobicContact CE2-CD1 4.32Å; Y187-I203 HydrophobicContact CG-CD1 3.36Å; Y187-I203 HydrophobicContact CG-CG1 4.02Å; I203-T205 HydrophobicContact CG2-CG2 4Å; I203-T205 PolarHBondContact O-N 3.03Å; I203-A213 PolarHBondContact N-O 2.89Å; I203-G214 CarbonylContact O-C 3.58Å; I203-G214 VanDerWaalsContact O-CA 3.24Å; I203-G214 WeakPolarHBondContact O-CA 3.25Å; I203-V215 PolarHBondContact O-N 2.94Å |
| 204 | Y | 96.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | trans | -77.9 | 111.2 | 173.4 | -166.2 | -88.1 | 0 | 0 | 0 | 109.6 | Q74 G76 F123 G202 W206 V215 K228 | Q74-Y204 PolarHBondContact O-OH 2.84Å; Q74-Y204 VanDerWaalsContact O-OH 3.06Å; G76-Y204 VanDerWaalsContact CA-CG 3.44Å; F123-Y204 HydrophobicContact CZ-CE1 4.37Å; G202-Y204 PolarHBondContact O-N 2.81Å; Y204-W206 HydrophobicContact CE1-CD2 4.06Å; Y204-W206 AromaticContact CE1-CE2 3.92Å; Y204-W206 HydrophobicContact CE1-CE3 4.33Å; Y204-W206 HydrophobicContact CE1-CH2 4.3Å; Y204-W206 HydrophobicContact CE1-CZ2 4.05Å; Y204-W206 HydrophobicContact CE1-CZ3 4.44Å; Y204-V215 HydrophobicContact CD2-CG2 4.07Å; Y204-K228 WeakPolarHBondContact CE2-O 3.34Å; Y204-K228 PolarHBondContact OH-O 3.35Å | ||
| 205 | T | 93.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | trans | -114.6 | 148.3 | 170.1 | 72.5 | 0 | 0 | 0 | 0 | 110.3 | I203 G207 P208 S209 S226 | I203-T205 HydrophobicContact CG2-CG2 4Å; I203-T205 PolarHBondContact O-N 3.03Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 3.15Å; T205-G207 PolarHBondContact OG1-O 3.18Å; T205-P208 WeakPolarHBondContact CB-O 3.47Å; T205-P208 PolarHBondContact OG1-O 2.65Å; T205-S209 WeakPolarHBondContact OG1-CA 3.43Å; T205-S209 WeakPolarHBondContact OG1-CB 3.4Å; T205-S226 VanDerWaalsContact O-CB 3.32Å; T205-S226 WeakPolarHBondContact O-CB 3.12Å; T205-S226 PolarHBondContact O-OG 3.37Å; T205-S226 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 206 | W | 92.1 | Very high | 94.7 | Very high | 179 Ų | 179 | 35.2 Ų | 35.2 | 68% | 0.678 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -82.9 | 73.9 | -177.5 | -59.6 | 83.9 | 0 | 0 | 0 | 110.2 | D75 F123 Y204 P208 | D75-W206 WeakPolarHBondContact O-CZ2 3.47Å; F123-W206 HydrophobicContact CE1-CB 4.4Å; F123-W206 AromaticContact CE1-CE3 3.71Å; F123-W206 HydrophobicContact CE1-CE3 3.71Å; F123-W206 HydrophobicContact CE1-CZ3 4.4Å; F123-W206 HydrophobicContact CZ-CB 4.32Å; F123-W206 HydrophobicContact CZ-CE3 4.13Å; Y204-W206 HydrophobicContact CE1-CD2 4.06Å; Y204-W206 AromaticContact CE1-CE2 3.92Å; Y204-W206 HydrophobicContact CE1-CE3 4.33Å; Y204-W206 HydrophobicContact CE1-CH2 4.3Å; Y204-W206 HydrophobicContact CE1-CZ2 4.05Å; Y204-W206 HydrophobicContact CE1-CZ3 4.44Å; W206-P208 WeakPolarHBondContact O-CD 3.29Å |
| 207 | G | 87.2 | Confident | 94.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 93.9 | -107.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F123 T205 S209 S226 | F123-G207 VanDerWaalsContact CD2-CA 3.42Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 3.15Å; T205-G207 PolarHBondContact OG1-O 3.18Å; G207-S209 PolarHBondContact O-N 2.92Å; G207-S226 PolarHBondContact O-N 2.99Å |
| 208 | P | 90.2 | Very high | 94.7 | Very high | 104 Ų | 104 | 33.8 Ų | 33.8 | 68% | 0.675 | 18% | 0.18 | S | C | * | . | B | Isolated β-bridge | trans | -51 | 135.8 | 178.9 | -27.2 | 35.4 | 0 | 0 | 0 | 112.4 | T205 W206 | T205-P208 WeakPolarHBondContact CB-O 3.47Å; T205-P208 PolarHBondContact OG1-O 2.65Å; W206-P208 WeakPolarHBondContact O-CD 3.29Å |
| 209 | S | 88.9 | Confident | 94.7 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | trans | -125 | 148.3 | -178.5 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | T205 G207 H211 G214 Q216 D224 | T205-S209 WeakPolarHBondContact OG1-CA 3.43Å; T205-S209 WeakPolarHBondContact OG1-CB 3.4Å; G207-S209 PolarHBondContact O-N 2.92Å; S209-H211 PolarHBondContact O-N 3.48Å; S209-G214 WeakPolarHBondContact OG-CA 3.39Å; S209-G214 PolarHBondContact OG-N 3.03Å; S209-Q216 PolarHBondContact OG-NE2 2.8Å; S209-D224 PolarHBondContact N-O 3.03Å | ||
| 210 | P | 89.2 | Confident | 94.7 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -50 | 140.8 | 156.6 | -20.4 | 31.7 | 0 | 0 | 0 | 109.5 | A212 A213 | P210-A212 PolarHBondContact O-N 2.83Å; P210-A213 HydrophobicContact CB-CB 4.03Å; P210-A213 PolarHBondContact O-N 2.99Å |
| 211 | H | 91.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 41 Ų | 41 | 57% | 0.569 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 127.7 | -177.9 | -172.9 | 75 | 0 | 0 | 0 | 110.3 | S209 A213 L223 D224 | S209-H211 PolarHBondContact O-N 3.48Å; H211-A213 VanDerWaalsContact C-N 3.28Å; H211-A213 PolarHBondContact O-N 3.36Å; H211-L223 WeakPolarHBondContact CA-O 3.21Å; H211-D224 IonicContact CE1-OD1 3.86Å; H211-D224 IonicContact CG-OD1 3.39Å; H211-D224 IonicContact ND1-OD1 2.77Å; H211-D224 PolarHBondContact ND1-OD1 3.45Å |
| 212 | A | 90.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 22.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | F196 P210 Q216 L223 | F196-A212 HydrophobicContact CE1-CB 3.87Å; F196-A212 WeakPolarHBondContact CE1-O 3.22Å; F196-A212 HydrophobicContact CZ-CB 3.73Å; F196-A212 WeakPolarHBondContact CZ-O 3.49Å; P210-A212 PolarHBondContact O-N 2.83Å; A212-Q216 VanDerWaalsContact CA-OE1 3.3Å; A212-L223 PolarHBondContact N-O 3.21Å |
| 213 | A | 93.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -19.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y187 G202 I203 P210 H211 | Y187-A213 HydrophobicContact CD2-CB 3.79Å; Y187-A213 HydrophobicContact CE2-CB 4.06Å; G202-A213 WeakPolarHBondContact CA-O 3.47Å; I203-A213 PolarHBondContact N-O 2.89Å; P210-A213 HydrophobicContact CB-CB 4.03Å; P210-A213 PolarHBondContact O-N 2.99Å; H211-A213 VanDerWaalsContact C-N 3.28Å; H211-A213 PolarHBondContact O-N 3.36Å |
| 214 | G | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | -175 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N199 I203 S209 Q216 | N199-G214 PolarHBondContact ND2-O 3.19Å; N199-G214 VanDerWaalsContact ND2-O 3.14Å; I203-G214 CarbonylContact O-C 3.58Å; I203-G214 VanDerWaalsContact O-CA 3.24Å; I203-G214 WeakPolarHBondContact O-CA 3.25Å; S209-G214 WeakPolarHBondContact OG-CA 3.39Å; S209-G214 PolarHBondContact OG-N 3.03Å; G214-Q216 PolarHBondContact O-N 3.24Å; G214-Q216 VanDerWaalsContact O-N 3.14Å |
| 215 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.1 | 97.2 | 166 | -177.1 | 0 | 0 | 0 | 0 | 109 | R73 N199 I203 Y204 S226 L227 M230 | R73-V215 HydrophobicContact CB-CG1 4.44Å; R73-V215 HydrophobicContact CG-CG1 4.2Å; R73-V215 HydrophobicContact CG-CG2 4.41Å; N199-V215 WeakPolarHBondContact O-CA 3.07Å; I203-V215 PolarHBondContact O-N 2.94Å; Y204-V215 HydrophobicContact CD2-CG2 4.07Å; V215-S226 WeakPolarHBondContact CB-OG 3.41Å; V215-S226 PolarHBondContact N-OG 3.42Å; V215-S226 VanDerWaalsContact N-OG 3.09Å; V215-S226 CarbonylContact O-C 3.46Å; V215-S226 WeakPolarHBondContact O-CA 3.34Å; V215-L227 HydrophobicContact CG1-CB 4.33Å; V215-L227 PolarHBondContact O-N 3.13Å; V215-M230 HydrophobicContact CG1-CB 4Å; V215-M230 HydrophobicContact CG1-CE 3.89Å; V215-M230 HydrophobicContact CG1-SD 4.2Å |
| 216 | Q | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.5 | -161.1 | -73.9 | 171 | -7.4 | 0 | 0 | 114.6 | F196 A198 N199 S209 A212 G214 L223 N225 | F196-Q216 HydrophobicContact CE2-CB 4.32Å; A198-Q216 WeakPolarHBondContact CA-O 3.42Å; N199-Q216 HydrophobicContact CB-CB 4.29Å; N199-Q216 PolarHBondContact N-O 3.41Å; N199-Q216 PolarHBondContact O-N 3.22Å; N199-Q216 VanDerWaalsContact O-N 3.09Å; S209-Q216 PolarHBondContact OG-NE2 2.8Å; A212-Q216 VanDerWaalsContact CA-OE1 3.3Å; G214-Q216 PolarHBondContact O-N 3.24Å; G214-Q216 VanDerWaalsContact O-N 3.14Å; Q216-L223 VanDerWaalsContact NE2-C 3.3Å; Q216-L223 PolarHBondContact NE2-O 3.27Å; Q216-N225 WeakPolarHBondContact CG-O 3.11Å |
| 217 | W | 98.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 104.2 | 170.6 | -165.5 | -89.4 | 0 | 0 | 0 | 108.6 | V118 M120 A130 Y132 A156 G157 S159 L160 A198 T219 F220 K221 L227 M230 | V118-W217 HydrophobicContact CB-CH2 4.48Å; V118-W217 HydrophobicContact CG1-CZ3 4.2Å; V118-W217 HydrophobicContact CG2-CH2 4.32Å; V118-W217 HydrophobicContact CG2-CZ3 4.43Å; M120-W217 HydrophobicContact CE-CD2 3.84Å; M120-W217 HydrophobicContact CE-CE3 4.22Å; M120-W217 HydrophobicContact CE-CG 4.13Å; M120-W217 HydrophobicContact CE-CZ2 4.31Å; M120-W217 HydrophobicContact SD-CB 3.67Å; M120-W217 HydrophobicContact SD-CD2 3.66Å; M120-W217 HydrophobicContact SD-CE3 3.92Å; M120-W217 HydrophobicContact SD-CG 3.57Å; M120-W217 VanDerWaalsContact SD-CG 3.57Å; A130-W217 HydrophobicContact CB-CH2 4.05Å; A130-W217 HydrophobicContact CB-CZ2 3.54Å; Y132-W217 HydrophobicContact CE2-CH2 4.28Å; Y132-W217 WeakPolarHBondContact OH-CZ2 3.35Å; A156-W217 VanDerWaalsContact O-CD1 3.28Å; A156-W217 PolarHBondContact O-NE1 2.86Å; A156-W217 VanDerWaalsContact O-NE1 3.13Å; G157-W217 PolarHBondContact O-NE1 2.8Å; S159-W217 VanDerWaalsContact CB-CE2 3.49Å; S159-W217 PolarHBondContact OG-NE1 3.3Å; L160-W217 HydrophobicContact CB-CH2 3.66Å; L160-W217 HydrophobicContact CB-CZ2 4.42Å; L160-W217 HydrophobicContact CB-CZ3 4.26Å; A198-W217 HydrophobicContact CB-CD2 4.42Å; A198-W217 HydrophobicContact CB-CE3 3.65Å; A198-W217 HydrophobicContact CB-CZ3 3.84Å; W217-T219 VanDerWaalsContact C-N 3.33Å; W217-T219 VanDerWaalsContact CD1-OG1 3.23Å; W217-T219 PolarHBondContact NE1-OG1 3.05Å; W217-T219 VanDerWaalsContact NE1-OG1 3.07Å; W217-T219 PolarHBondContact O-N 2.74Å; W217-F220 HydrophobicContact CB-CB 4.33Å; W217-F220 HydrophobicContact CG-CB 4.42Å; W217-F220 PolarHBondContact O-N 2.93Å; W217-K221 PolarHBondContact O-N 2.76Å; W217-K221 VanDerWaalsContact O-N 3.08Å; W217-L227 HydrophobicContact CB-CD1 3.86Å; W217-M230 HydrophobicContact CB-CE 4.34Å; W217-M230 HydrophobicContact CE3-CE 4.4Å |
| 218 | T | 97.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | -164.2 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | S159 N197 F220 G222 L223 | S159-T218 PolarHBondContact OG-N 3.06Å; N197-T218 VanDerWaalsContact O-CB 3.25Å; N197-T218 WeakPolarHBondContact O-CB 3.36Å; N197-T218 PolarHBondContact O-N 2.85Å; N197-T218 PolarHBondContact O-OG1 2.87Å; T218-F220 PolarHBondContact O-N 3.28Å; T218-G222 WeakPolarHBondContact O-CA 3.44Å; T218-G222 PolarHBondContact O-N 2.99Å; T218-L223 HydrophobicContact CG2-CD2 4.47Å; T218-L223 WeakPolarHBondContact OG1-CD2 3.36Å |
| 219 | T | 98.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 45% | 0.454 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.2 | -11.6 | -179.5 | 52 | 0 | 0 | 0 | 0 | 114.1 | A156 G157 S159 W217 | A156-T219 CarbonylContact O-C 3.09Å; A156-T219 WeakPolarHBondContact O-CB 3.45Å; A156-T219 PolarHBondContact O-OG1 3.15Å; G157-T219 VanDerWaalsContact C-OG1 3.29Å; S159-T219 WeakPolarHBondContact OG-CG2 3.18Å; S159-T219 PolarHBondContact OG-N 2.92Å; S159-T219 PolarHBondContact OG-OG1 3.25Å; W217-T219 VanDerWaalsContact C-N 3.33Å; W217-T219 VanDerWaalsContact CD1-OG1 3.23Å; W217-T219 PolarHBondContact NE1-OG1 3.05Å; W217-T219 VanDerWaalsContact NE1-OG1 3.07Å; W217-T219 PolarHBondContact O-N 2.74Å |
| 220 | F | 97.8 | Very high | 95.9 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -102.9 | -54.8 | 178.8 | 179.8 | -143.1 | 0 | 0 | 0 | 112.6 | D122 Q126 V128 W217 T218 L227 | D122-F220 HydrophobicContact CB-CE1 4.22Å; D122-F220 HydrophobicContact CB-CZ 4.24Å; Q126-F220 HydrophobicContact CB-CZ 4.2Å; Q126-F220 HydrophobicContact CG-CE2 4.16Å; Q126-F220 HydrophobicContact CG-CZ 4.08Å; V128-F220 HydrophobicContact CB-CE2 4.45Å; V128-F220 HydrophobicContact CB-CZ 4.46Å; V128-F220 HydrophobicContact CG1-CD2 4.25Å; V128-F220 HydrophobicContact CG1-CE2 3.74Å; V128-F220 HydrophobicContact CG1-CZ 4Å; V128-F220 HydrophobicContact CG2-CD1 3.53Å; V128-F220 HydrophobicContact CG2-CD2 3.9Å; V128-F220 HydrophobicContact CG2-CE1 3.45Å; V128-F220 VanDerWaalsContact CG2-CE1 3.45Å; V128-F220 HydrophobicContact CG2-CE2 3.81Å; V128-F220 HydrophobicContact CG2-CG 3.78Å; V128-F220 HydrophobicContact CG2-CZ 3.6Å; W217-F220 HydrophobicContact CB-CB 4.33Å; W217-F220 HydrophobicContact CG-CB 4.42Å; W217-F220 PolarHBondContact O-N 2.93Å; T218-F220 PolarHBondContact O-N 3.28Å; F220-L227 HydrophobicContact CD1-CD1 4.32Å; F220-L227 HydrophobicContact CD1-CD2 3.54Å; F220-L227 HydrophobicContact CE1-CD2 3.54Å |
| 221 | K | 96.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 22% | 0.222 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -129.1 | 10.9 | -174.6 | -65.6 | -64.4 | -179.5 | 173.9 | 0 | 114.9 | D122 W217 N225 L227 | D122-K221 HydrophobicContact CB-CG 4.48Å; D122-K221 WeakPolarHBondContact OD2-CE 3.32Å; D122-K221 IonicContact OD2-NZ 2.61Å; D122-K221 PolarHBondContact OD2-NZ 3.06Å; W217-K221 PolarHBondContact O-N 2.76Å; W217-K221 VanDerWaalsContact O-N 3.08Å; K221-N225 HydrophobicContact CB-CB 4.03Å; K221-N225 PolarHBondContact O-ND2 3.07Å; K221-L227 HydrophobicContact CB-CD2 4.34Å; K221-L227 HydrophobicContact CG-CD2 3.82Å |
| 222 | G | 95.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -153.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T218 | T218-G222 WeakPolarHBondContact O-CA 3.44Å; T218-G222 PolarHBondContact O-N 2.99Å |
| 223 | L | 95.2 | Very high | 97.1 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 24% | 0.241 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 1.3 | -171.4 | -62.9 | 177.2 | 0 | 0 | 0 | 114 | F196 H211 A212 Q216 T218 | F196-L223 HydrophobicContact CE2-CD2 3.62Å; F196-L223 HydrophobicContact CZ-CD2 3.95Å; H211-L223 WeakPolarHBondContact CA-O 3.21Å; A212-L223 PolarHBondContact N-O 3.21Å; Q216-L223 VanDerWaalsContact NE2-C 3.3Å; Q216-L223 PolarHBondContact NE2-O 3.27Å; T218-L223 HydrophobicContact CG2-CD2 4.47Å; T218-L223 WeakPolarHBondContact OG1-CD2 3.36Å |
| 224 | D | 94.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 28.1 Ų | 28.1 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -113.6 | -0.4 | -174.5 | -56.3 | -52.2 | 0 | 0 | 0 | 113 | S209 H211 | S209-D224 PolarHBondContact N-O 3.03Å; H211-D224 IonicContact CE1-OD1 3.86Å; H211-D224 IonicContact CG-OD1 3.39Å; H211-D224 IonicContact ND1-OD1 2.77Å; H211-D224 PolarHBondContact ND1-OD1 3.45Å |
| 225 | N | 94.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -128.1 | 127.9 | 179.6 | -62.1 | -72 | 0 | 0 | 0 | 110.2 | Q216 K221 | Q216-N225 WeakPolarHBondContact CG-O 3.11Å; K221-N225 HydrophobicContact CB-CB 4.03Å; K221-N225 PolarHBondContact O-ND2 3.07Å |
| 226 | S | 96.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -85.1 | 141.2 | 169.1 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | T205 G207 V215 | T205-S226 VanDerWaalsContact O-CB 3.32Å; T205-S226 WeakPolarHBondContact O-CB 3.12Å; T205-S226 PolarHBondContact O-OG 3.37Å; T205-S226 WeakPolarHBondContact OG1-CB 3.44Å; G207-S226 PolarHBondContact O-N 2.99Å; V215-S226 WeakPolarHBondContact CB-OG 3.41Å; V215-S226 PolarHBondContact N-OG 3.42Å; V215-S226 VanDerWaalsContact N-OG 3.09Å; V215-S226 CarbonylContact O-C 3.46Å; V215-S226 WeakPolarHBondContact O-CA 3.34Å | ||
| 227 | L | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -79.1 | 146.6 | 175.8 | -64.7 | 171.2 | 0 | 0 | 0 | 110.4 | M120 D122 V215 W217 F220 K221 M230 | M120-L227 HydrophobicContact CB-CD1 4.23Å; M120-L227 HydrophobicContact CG-CD1 3.95Å; M120-L227 HydrophobicContact SD-CD1 3.79Å; D122-L227 HydrophobicContact CB-CD2 4.24Å; V215-L227 HydrophobicContact CG1-CB 4.33Å; V215-L227 PolarHBondContact O-N 3.13Å; W217-L227 HydrophobicContact CB-CD1 3.86Å; F220-L227 HydrophobicContact CD1-CD1 4.32Å; F220-L227 HydrophobicContact CD1-CD2 3.54Å; F220-L227 HydrophobicContact CE1-CD2 3.54Å; K221-L227 HydrophobicContact CB-CD2 4.34Å; K221-L227 HydrophobicContact CG-CD2 3.82Å; L227-M230 HydrophobicContact CD1-CE 3.34Å | ||
| 228 | K | 98.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -75 | -46.6 | 178 | 177.7 | -173.4 | 169.2 | -165.3 | 0 | 110.5 | Q74 E121 F123 Y204 | Q74-K228 WeakPolarHBondContact CA-O 3.34Å; E121-K228 WeakPolarHBondContact O-CB 3.36Å; E121-K228 PolarHBondContact O-N 3.08Å; E121-K228 IonicContact OE1-NZ 2.8Å; E121-K228 PolarHBondContact OE1-NZ 2.84Å; F123-K228 HydrophobicContact CD1-CB 4.03Å; F123-K228 HydrophobicContact CD1-CD 4.22Å; F123-K228 HydrophobicContact CD1-CG 4.13Å; F123-K228 HydrophobicContact CD2-CB 3.87Å; F123-K228 HydrophobicContact CE1-CB 3.84Å; F123-K228 HydrophobicContact CE1-CD 4.3Å; F123-K228 HydrophobicContact CE1-CG 3.78Å; F123-K228 VanDerWaalsContact CE2-CA 3.5Å; F123-K228 HydrophobicContact CE2-CB 3.69Å; F123-K228 HydrophobicContact CE2-CG 4.49Å; F123-K228 HydrophobicContact CG-CB 4.04Å; F123-K228 HydrophobicContact CZ-CB 3.68Å; F123-K228 HydrophobicContact CZ-CG 3.99Å; Y204-K228 WeakPolarHBondContact CE2-O 3.34Å; Y204-K228 PolarHBondContact OH-O 3.35Å |
| 229 | T | 98.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.6 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | R73 Q74 M120 E121 | R73-T229 VanDerWaalsContact O-CA 3.29Å; R73-T229 WeakPolarHBondContact O-CA 3.44Å; Q74-T229 HydrophobicContact CB-CG2 4.33Å; M120-T229 WeakPolarHBondContact CA-O 3.1Å; E121-T229 HydrophobicContact CB-CG2 4.3Å; E121-T229 WeakPolarHBondContact CB-OG1 3.5Å; E121-T229 PolarHBondContact N-O 3.11Å; E121-T229 PolarHBondContact N-OG1 3.08Å; E121-T229 PolarHBondContact O-N 2.63Å |
| 230 | M | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 123.5 | 168 | -172.1 | 176.9 | -69.3 | 0 | 0 | 108.4 | Q71 R72 R73 V118 D119 M120 P200 V215 W217 L227 | Q71-M230 PolarHBondContact OE1-O 3.14Å; Q71-M230 VanDerWaalsContact OE1-O 3.13Å; R72-M230 CarbonylContact C-O 3.48Å; R72-M230 WeakPolarHBondContact CA-O 3.21Å; R73-M230 HydrophobicContact CB-CB 4.4Å; R73-M230 HydrophobicContact CG-CB 4.43Å; R73-M230 PolarHBondContact N-O 3.21Å; R73-M230 PolarHBondContact O-N 2.86Å; R73-M230 VanDerWaalsContact O-N 3.09Å; V118-M230 HydrophobicContact CG1-CG 3.92Å; V118-M230 HydrophobicContact CG1-SD 4.42Å; D119-M230 CarbonylContact O-C 3.55Å; D119-M230 WeakPolarHBondContact O-CA 3.45Å; M120-M230 HydrophobicContact CG-CB 4.42Å; M120-M230 HydrophobicContact CG-CE 4.06Å; M120-M230 HydrophobicContact CG-CG 3.96Å; M120-M230 HydrophobicContact SD-CE 3.93Å; P200-M230 WeakPolarHBondContact CA-SD 3.36Å; P200-M230 HydrophobicContact CB-SD 3.24Å; P200-M230 WeakPolarHBondContact CB-SD 3.38Å; V215-M230 HydrophobicContact CG1-CB 4Å; V215-M230 HydrophobicContact CG1-CE 3.89Å; V215-M230 HydrophobicContact CG1-SD 4.2Å; W217-M230 HydrophobicContact CB-CE 4.34Å; W217-M230 HydrophobicContact CE3-CE 4.4Å; L227-M230 HydrophobicContact CD1-CE 3.34Å |
| 231 | I | 98.7 | Very high | 92.8 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 113.9 | -177.8 | -63.4 | 162.5 | 0 | 0 | 0 | 107.8 | V69 Q71 R72 V118 D119 K233 | V69-I231 HydrophobicContact CG1-CG2 3.9Å; V69-I231 HydrophobicContact CG2-CG2 4.07Å; Q71-I231 WeakPolarHBondContact O-CA 3.33Å; R72-I231 HydrophobicContact CB-CG1 4.4Å; R72-I231 HydrophobicContact CG-CG1 3.95Å; V118-I231 CarbonylContact C-O 3.22Å; V118-I231 VanDerWaalsContact CA-O 3.31Å; V118-I231 WeakPolarHBondContact CA-O 3.44Å; D119-I231 PolarHBondContact N-O 3.16Å; D119-I231 PolarHBondContact O-N 3.25Å; I231-K233 HydrophobicContact CG2-CD 4.43Å |
| 232 | M | 98.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.5 | 168.7 | -57.3 | -179.7 | 69.9 | 0 | 0 | 108.7 | I70 Q71 L116 V118 L160 P200 | I70-M232 HydrophobicContact CD1-CB 4.14Å; I70-M232 HydrophobicContact CG1-CB 3.73Å; I70-M232 VanDerWaalsContact CG1-O 3.29Å; I70-M232 WeakPolarHBondContact CG1-O 2.99Å; I70-M232 PolarHBondContact N-O 2.95Å; Q71-M232 HydrophobicContact CB-CB 4.02Å; Q71-M232 HydrophobicContact CB-CG 4.23Å; Q71-M232 HydrophobicContact CB-SD 4.28Å; Q71-M232 PolarHBondContact N-O 2.9Å; Q71-M232 PolarHBondContact O-N 3.2Å; L116-M232 HydrophobicContact CD1-CB 4.24Å; L116-M232 HydrophobicContact CD1-CE 4.18Å; L116-M232 HydrophobicContact CD2-CE 4.08Å; V118-M232 HydrophobicContact CG1-CG 4.17Å; V118-M232 HydrophobicContact CG2-CG 4.13Å; L160-M232 HydrophobicContact CD2-CE 4.41Å; P200-M232 HydrophobicContact CB-SD 4.35Å; P200-M232 HydrophobicContact CG-SD 4.33Å |
| 233 | K | 98.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.1 | -178.8 | 63 | -170.2 | -165.3 | -170.2 | 0 | 111.4 | D54 W67 T68 V69 R117 D119 I231 | D54-K233 IonicContact OD2-NZ 2.69Å; D54-K233 PolarHBondContact OD2-NZ 3.37Å; W67-K233 HydrophobicContact CB-CB 4.14Å; W67-K233 HydrophobicContact CB-CD 3.82Å; W67-K233 HydrophobicContact CB-CG 4.11Å; W67-K233 HydrophobicContact CD2-CD 3.99Å; W67-K233 HydrophobicContact CD2-CG 3.88Å; W67-K233 HydrophobicContact CE3-CB 4.15Å; W67-K233 HydrophobicContact CE3-CD 4.26Å; W67-K233 HydrophobicContact CE3-CG 3.61Å; W67-K233 HydrophobicContact CG-CD 3.8Å; W67-K233 HydrophobicContact CG-CG 4.11Å; W67-K233 HydrophobicContact CZ3-CG 4.33Å; W67-K233 WeakPolarHBondContact CZ3-O 3.37Å; T68-K233 CarbonylContact O-C 3.47Å; T68-K233 VanDerWaalsContact O-CA 3.31Å; T68-K233 WeakPolarHBondContact O-CA 3.48Å; V69-K233 HydrophobicContact CG2-CB 4.12Å; R117-K233 HydrophobicContact CB-CG 4.2Å; R117-K233 PolarHBondContact N-O 2.89Å; R117-K233 PolarHBondContact O-N 2.77Å; D119-K233 WeakPolarHBondContact OD2-CE 3.25Å; D119-K233 IonicContact OD2-NZ 3.83Å; D119-K233 PolarHBondContact OD2-NZ 2.8Å; I231-K233 HydrophobicContact CG2-CD 4.43Å |
| 234 | I | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.6 | -177 | 66.2 | 175.4 | 0 | 0 | 0 | 110.7 | T68 I70 L108 T109 Y114 E115 L116 F135 | T68-I234 PolarHBondContact N-O 2.75Å; T68-I234 PolarHBondContact O-N 2.94Å; I70-I234 HydrophobicContact CD1-CG2 3.87Å; I70-I234 HydrophobicContact CG1-CG2 4.43Å; I70-I234 HydrophobicContact CG2-CD1 3.87Å; I70-I234 HydrophobicContact CG2-CG1 3.81Å; I70-I234 HydrophobicContact CG2-CG2 4.28Å; L108-I234 HydrophobicContact CD1-CD1 4.27Å; T109-I234 HydrophobicContact CG2-CD1 4.25Å; Y114-I234 HydrophobicContact CD1-CB 3.98Å; Y114-I234 HydrophobicContact CD1-CD1 3.77Å; Y114-I234 HydrophobicContact CD1-CG1 3.77Å; Y114-I234 HydrophobicContact CE1-CD1 4.11Å; Y114-I234 HydrophobicContact CE1-CG1 4.28Å; Y114-I234 HydrophobicContact CG-CB 4.36Å; Y114-I234 HydrophobicContact CG-CD1 4.1Å; Y114-I234 HydrophobicContact CG-CG1 4.42Å; E115-I234 WeakPolarHBondContact O-CA 3.02Å; L116-I234 HydrophobicContact CB-CG2 4.45Å; L116-I234 HydrophobicContact CD1-CG2 3.79Å; F135-I234 HydrophobicContact CD1-CG2 3.54Å; F135-I234 HydrophobicContact CE1-CG2 3.91Å; F135-I234 HydrophobicContact CG-CG2 4.1Å |
| 235 | R | 95.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138.7 | 178.7 | 179.6 | 169.9 | 70 | -179.3 | -5.2 | 110 | D59 S63 E65 W67 Y114 E115 | D59-R235 IonicContact OD2-CZ 3.52Å; D59-R235 IonicContact OD2-NH1 3.78Å; D59-R235 PolarHBondContact OD2-NH1 3.26Å; S63-R235 PolarHBondContact OG-NH1 3.42Å; E65-R235 VanDerWaalsContact C-CD 3.43Å; E65-R235 HydrophobicContact CB-CG 3.41Å; E65-R235 VanDerWaalsContact CB-CG 3.41Å; E65-R235 VanDerWaalsContact O-CD 3.27Å; E65-R235 WeakPolarHBondContact O-CD 2.85Å; W67-R235 HydrophobicContact CD2-CB 3.84Å; W67-R235 HydrophobicContact CE3-CB 3.4Å; W67-R235 VanDerWaalsContact CE3-CB 3.4Å; W67-R235 HydrophobicContact CH2-CB 4.04Å; W67-R235 HydrophobicContact CZ2-CB 4.44Å; W67-R235 VanDerWaalsContact CZ2-CZ 3.42Å; W67-R235 HydrophobicContact CZ3-CB 3.51Å; Y114-R235 CarbonylContact C-O 3.59Å; Y114-R235 WeakPolarHBondContact CA-O 3.43Å; E115-R235 HydrophobicContact CG-CB 4.11Å; E115-R235 WeakPolarHBondContact CG-O 3.42Å; E115-R235 PolarHBondContact N-O 3.36Å; E115-R235 PolarHBondContact O-N 3.12Å; E115-R235 VanDerWaalsContact O-N 3.11Å; E115-R235 IonicContact OE1-CZ 3.88Å; E115-R235 IonicContact OE1-NE 2.73Å; E115-R235 PolarHBondContact OE1-NE 2.77Å; E115-R235 IonicContact OE1-NH2 3.2Å; E115-R235 PolarHBondContact OE1-NH2 2.61Å |
| 236 | P | 95.3 | Very high | 92 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 141.2 | 173 | -31.3 | 38.9 | 0 | 0 | 0 | 112.8 | D23 S25 E65 R112 N113 Y114 | D23-P236 VanDerWaalsContact OD2-CG 3.3Å; D23-P236 WeakPolarHBondContact OD2-CG 3.39Å; S25-P236 WeakPolarHBondContact OG-CD 3.36Å; E65-P236 HydrophobicContact CG-CB 4.32Å; R112-P236 HydrophobicContact CG-CB 4.35Å; N113-P236 WeakPolarHBondContact O-CA 3.28Å; Y114-P236 HydrophobicContact CD1-CG 4.15Å; Y114-P236 HydrophobicContact CE1-CG 3.68Å |
| 237 | V | 90.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | trans | -109 | 122.5 | 163.6 | -65.7 | 0 | 0 | 0 | 0 | 107.7 | N113 E115 G239 | N113-V237 HydrophobicContact CB-CG2 3.56Å; N113-V237 PolarHBondContact O-N 3.06Å; E115-V237 HydrophobicContact CB-CG1 3.73Å; E115-V237 HydrophobicContact CG-CG1 3.74Å; V237-G239 PolarHBondContact O-N 3.43Å | ||
| 238 | D | 72.6 | Confident | 91.2 | Very high | 129 Ų | 129 | 41.7 Ų | 41.7 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | trans | -65.4 | 125.1 | 169.1 | -68.1 | -30.7 | 0 | 0 | 0 | 107.4 | ||||
| 239 | G | 50.9 | Low | 90.5 | Very high | 143 Ų | 143 | 38.8 Ų | 38.8 | 100% | 1.474 | 27% | 0.272 | S | S | * | . | trans | -76.6 | 0 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V237 | V237-G239 PolarHBondContact O-N 3.43Š|
Retrieved 239 of 239 residues in 47.2 ms
(Link to these results)