| 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 | 53 | Low | 82.9 | Confident | 241 Ų | 241 | 95.7 Ų | 95.7 | 100% | 1.187 | 61% | 0.614 | S | S | * | * | 0 | 130.8 | 0 | -78.9 | 170.8 | 178.6 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 2.91Š| |||
| 2 | S | 61.3 | Low | 83.8 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 80% | 0.797 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134 | 165.7 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | K4 | S2-K4 PolarHBondContact O-N 3.34Š|
| 3 | S | 77.8 | Confident | 84.8 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.1 | 175 | 49.5 | 0 | 0 | 0 | 0 | 108.8 | M1 V5 | M1-S3 PolarHBondContact O-N 2.91Å; S3-V5 PolarHBondContact O-N 3.42Å |
| 4 | K | 87.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 35% | 0.352 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 139.6 | 175.2 | -68 | 173.5 | 177.2 | 176 | 0 | 109.6 | S2 P6 S136 D178 | S2-K4 PolarHBondContact O-N 3.34Å; K4-P6 WeakPolarHBondContact O-CD 3.33Å; K4-S136 CarbonylContact C-O 3.54Å; K4-S136 WeakPolarHBondContact CA-O 3.25Å; K4-D178 IonicContact NZ-OD1 2.8Å; K4-D178 PolarHBondContact NZ-OD1 2.99Å; K4-D178 IonicContact NZ-OD2 2.87Å; K4-D178 PolarHBondContact NZ-OD2 3.1Å |
| 5 | V | 92 | Very high | 86.6 | Confident | 33 Ų | 33 | 76 Ų | 76 | 20% | 0.2 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 124.8 | 168.7 | 173.5 | 0 | 0 | 0 | 0 | 107.9 | S3 V7 P13 L14 F115 S136 A137 | S3-V5 PolarHBondContact O-N 3.42Å; V5-V7 PolarHBondContact O-N 2.83Å; V5-P13 HydrophobicContact CG1-CG 3.63Å; V5-P13 HydrophobicContact CG2-CG 4.11Å; V5-L14 HydrophobicContact CG1-CB 3.92Å; V5-F115 HydrophobicContact CG1-CE1 4.35Å; V5-F115 HydrophobicContact CG2-CE1 4.41Å; V5-S136 PolarHBondContact N-O 2.85Å; V5-A137 VanDerWaalsContact O-CA 3.28Å; V5-A137 WeakPolarHBondContact O-CA 3.36Å |
| 6 | P | 93.1 | Very high | 87.3 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.3 | 175.9 | -21 | 31.9 | 0 | 0 | 0 | 110.5 | K4 L8 | K4-P6 WeakPolarHBondContact O-CD 3.33Å; P6-L8 VanDerWaalsContact C-N 3.25Å; P6-L8 PolarHBondContact O-N 3.08Å |
| 7 | V | 94.4 | Very high | 87.9 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -64.4 | -32.5 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112.3 | V5 L14 F16 A137 V139 I180 F182 | V5-V7 PolarHBondContact O-N 2.83Å; V7-L14 HydrophobicContact CG2-CD2 4.43Å; V7-F16 HydrophobicContact CG2-CB 4.18Å; V7-F16 HydrophobicContact CG2-CD1 3.91Å; V7-F16 HydrophobicContact CG2-CD2 4.05Å; V7-F16 HydrophobicContact CG2-CE1 4.29Å; V7-F16 HydrophobicContact CG2-CE2 4.44Å; V7-F16 HydrophobicContact CG2-CG 3.77Å; V7-F16 VanDerWaalsContact O-CB 3.24Å; V7-F16 WeakPolarHBondContact O-CB 3.46Å; V7-A137 HydrophobicContact CB-CB 4.49Å; V7-V139 HydrophobicContact CB-CG1 3.79Å; V7-V139 HydrophobicContact CG1-CG1 3.99Å; V7-V139 HydrophobicContact CG2-CG1 3.95Å; V7-V139 HydrophobicContact CG2-CG2 4.46Å; V7-I180 HydrophobicContact CG1-CD1 3.95Å; V7-F182 HydrophobicContact CG2-CE2 4.21Å; V7-F182 HydrophobicContact CG2-CZ 4.46Å |
| 8 | L | 91.9 | Very high | 88.5 | Confident | 133 Ų | 133 | 72.6 Ų | 72.6 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -115.1 | 99.5 | 174.8 | -69.5 | 173.8 | 0 | 0 | 0 | 109.1 | P6 F16 | P6-L8 VanDerWaalsContact C-N 3.25Å; P6-L8 PolarHBondContact O-N 3.08Å; L8-F16 HydrophobicContact CD2-CD1 3.67Å; L8-F16 HydrophobicContact CD2-CE1 4.31Å; L8-F16 HydrophobicContact CG-CD1 4.42Å |
| 9 | S | 88.5 | Confident | 89 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 43% | 0.427 | 43% | 0.43 | S | S | . | . | trans | -146.2 | 136 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | G11 | S9-G11 PolarHBondContact O-N 3.44Š| ||
| 10 | A | 85.5 | Confident | 89.5 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 88% | 0.876 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 121.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G12 | A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 3.29Å |
| 11 | G | 87.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 90% | 0.897 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 11.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S9 | S9-G11 PolarHBondContact O-N 3.44Š|
| 12 | G | 93.5 | Very high | 92 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | trans | -67.8 | 169 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A10 L14 S34 | A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 3.29Å; G12-L14 PolarHBondContact O-N 3.19Å; G12-S34 WeakPolarHBondContact O-CB 3.48Å; G12-S34 PolarHBondContact O-OG 3.41Å | ||
| 13 | P | 96.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 65.7 Ų | 65.7 | 31% | 0.312 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -68.5 | -22.4 | 177.3 | 29.5 | -34.9 | 0 | 0 | 0 | 112.3 | V5 S34 F115 | V5-P13 HydrophobicContact CG1-CG 3.63Å; V5-P13 HydrophobicContact CG2-CG 4.11Å; P13-S34 VanDerWaalsContact CA-OG 3.32Å; P13-S34 WeakPolarHBondContact CA-OG 3.11Å; P13-S34 PolarHBondContact O-N 2.72Å; P13-S34 PolarHBondContact O-OG 3.39Å; P13-F115 HydrophobicContact CB-CZ 4.07Å; P13-F115 HydrophobicContact CG-CZ 4.37Å; P13-F115 VanDerWaalsContact O-CE2 3.3Å; P13-F115 WeakPolarHBondContact O-CE2 3.47Å |
| 14 | L | 98.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.2 | 176.2 | -176.8 | 63.6 | 0 | 0 | 0 | 110.5 | V5 V7 G12 L31 F112 F115 L134 A137 | V5-L14 HydrophobicContact CG1-CB 3.92Å; V7-L14 HydrophobicContact CG2-CD2 4.43Å; G12-L14 PolarHBondContact O-N 3.19Å; L14-L31 HydrophobicContact CD1-CB 4.37Å; L14-L31 HydrophobicContact CD1-CD2 4.4Å; L14-F112 HydrophobicContact CD1-CE2 3.99Å; L14-F112 HydrophobicContact CD1-CZ 4.33Å; L14-F115 HydrophobicContact CB-CE1 3.93Å; L14-F115 HydrophobicContact CB-CE2 4.35Å; L14-F115 HydrophobicContact CB-CZ 3.68Å; L14-F115 HydrophobicContact CD1-CD1 4.19Å; L14-F115 HydrophobicContact CD1-CD2 4.28Å; L14-F115 HydrophobicContact CD1-CE1 4.13Å; L14-F115 HydrophobicContact CD1-CE2 4.23Å; L14-F115 HydrophobicContact CD1-CG 4.26Å; L14-F115 HydrophobicContact CD1-CZ 4.15Å; L14-F115 HydrophobicContact CG-CE1 4.44Å; L14-F115 HydrophobicContact CG-CZ 4.47Å; L14-L134 HydrophobicContact CD1-CD2 4.3Å; L14-L134 HydrophobicContact CD2-CD2 3.68Å; L14-A137 HydrophobicContact CD2-CB 3.91Å |
| 15 | I | 98.1 | Very high | 95 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.4 | 164.1 | -60.9 | 170.1 | 0 | 0 | 0 | 107.2 | L31 A32 L59 V61 | I15-L31 CarbonylContact O-C 3.53Å; I15-L31 VanDerWaalsContact O-CA 3.31Å; I15-L31 WeakPolarHBondContact O-CA 3.23Å; I15-A32 HydrophobicContact CB-CB 4.12Å; I15-A32 HydrophobicContact CD1-CB 4.36Å; I15-A32 PolarHBondContact N-O 3.16Å; I15-A32 PolarHBondContact O-N 3.38Å; I15-L59 HydrophobicContact CG2-CD1 4.16Å; I15-V61 HydrophobicContact CD1-CG1 4.18Å |
| 16 | F | 98.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.2 | 175.9 | 178.8 | -107.2 | 0 | 0 | 0 | 110.5 | V7 L8 Q18 Y29 L30 L31 F141 F182 | V7-F16 HydrophobicContact CG2-CB 4.18Å; V7-F16 HydrophobicContact CG2-CD1 3.91Å; V7-F16 HydrophobicContact CG2-CD2 4.05Å; V7-F16 HydrophobicContact CG2-CE1 4.29Å; V7-F16 HydrophobicContact CG2-CE2 4.44Å; V7-F16 HydrophobicContact CG2-CG 3.77Å; V7-F16 VanDerWaalsContact O-CB 3.24Å; V7-F16 WeakPolarHBondContact O-CB 3.46Å; L8-F16 HydrophobicContact CD2-CD1 3.67Å; L8-F16 HydrophobicContact CD2-CE1 4.31Å; L8-F16 HydrophobicContact CG-CD1 4.42Å; F16-Q18 HydrophobicContact CE1-CB 4.08Å; F16-Q18 HydrophobicContact CZ-CB 4.15Å; F16-Y29 AromaticContact CE2-CD1 3.82Å; F16-Y29 HydrophobicContact CE2-CD1 3.82Å; F16-Y29 AromaticContact CZ-CD1 3.69Å; F16-Y29 HydrophobicContact CZ-CD1 3.69Å; F16-Y29 HydrophobicContact CZ-CE1 4.1Å; F16-L30 WeakPolarHBondContact CA-O 3.48Å; F16-L31 HydrophobicContact CD2-CD2 4.29Å; F16-L31 HydrophobicContact CD2-CG 4.13Å; F16-F141 HydrophobicContact CD2-CZ 4.46Å; F16-F141 AromaticContact CE2-CE1 3.73Å; F16-F141 HydrophobicContact CE2-CE1 3.73Å; F16-F141 AromaticContact CE2-CZ 3.75Å; F16-F141 HydrophobicContact CE2-CZ 3.75Å; F16-F141 HydrophobicContact CZ-CE1 4.31Å; F16-F182 AromaticContact CE1-CE1 3.94Å; F16-F182 HydrophobicContact CE1-CE1 3.94Å; F16-F182 HydrophobicContact CE1-CE2 4.32Å; F16-F182 AromaticContact CE1-CZ 3.71Å; F16-F182 HydrophobicContact CE1-CZ 3.71Å; F16-F182 HydrophobicContact CE2-CE2 4.39Å; F16-F182 HydrophobicContact CZ-CD1 4.11Å; F16-F182 HydrophobicContact CZ-CD2 4.19Å; F16-F182 AromaticContact CZ-CE1 3.72Å; F16-F182 HydrophobicContact CZ-CE1 3.72Å; F16-F182 AromaticContact CZ-CE2 3.81Å; F16-F182 HydrophobicContact CZ-CE2 3.81Å; F16-F182 HydrophobicContact CZ-CG 4.33Å; F16-F182 AromaticContact CZ-CZ 3.57Å; F16-F182 HydrophobicContact CZ-CZ 3.57Å |
| 17 | R | 98.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 119.5 | 170.9 | -60.1 | -69.1 | -179.3 | -87.8 | -1 | 109.4 | L19 Y29 L30 L55 L59 | R17-L19 HydrophobicContact CB-CD2 4.22Å; R17-Y29 WeakPolarHBondContact O-CA 3.5Å; R17-L30 HydrophobicContact CB-CB 4.24Å; R17-L30 PolarHBondContact N-O 3.06Å; R17-L30 PolarHBondContact O-N 3.12Å; R17-L55 HydrophobicContact CB-CD2 4.22Å; R17-L55 HydrophobicContact CG-CD2 4.21Å; R17-L59 HydrophobicContact CG-CD1 4.21Å |
| 18 | Q | 98.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.1 | 165.7 | 178.8 | 169.7 | 21.2 | 0 | 0 | 108.3 | F16 Y27 Y29 T191 | F16-Q18 HydrophobicContact CE1-CB 4.08Å; F16-Q18 HydrophobicContact CZ-CB 4.15Å; Q18-Y27 HydrophobicContact CG-CD1 3.61Å; Q18-Y27 HydrophobicContact CG-CE1 4.08Å; Q18-Y27 HydrophobicContact CG-CG 4.29Å; Q18-Y27 VanDerWaalsContact NE2-CD1 3.27Å; Q18-Y29 HydrophobicContact CB-CD1 4.05Å; Q18-Y29 HydrophobicContact CB-CE1 3.95Å; Q18-Y29 HydrophobicContact CG-CD1 4.07Å; Q18-Y29 HydrophobicContact CG-CE1 3.53Å; Q18-Y29 PolarHBondContact NE2-OH 2.87Å; Q18-T191 PolarHBondContact NE2-O 3.02Å |
| 19 | L | 98.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 155.5 | 179 | -49.9 | 174.5 | 0 | 0 | 0 | 108.9 | R17 Y27 T28 D52 L55 | R17-L19 HydrophobicContact CB-CD2 4.22Å; L19-Y27 CarbonylContact O-C 3.56Å; L19-Y27 VanDerWaalsContact O-CA 3.27Å; L19-Y27 WeakPolarHBondContact O-CA 3.38Å; L19-Y27 WeakPolarHBondContact O-CD1 3.46Å; L19-T28 WeakPolarHBondContact CB-O 3.47Å; L19-T28 PolarHBondContact N-O 2.96Å; L19-T28 PolarHBondContact O-N 3.12Å; L19-D52 WeakPolarHBondContact CD1-OD1 3.3Å; L19-L55 HydrophobicContact CD1-CD2 3.76Å; L19-L55 HydrophobicContact CD2-CD2 3.76Å; L19-L55 HydrophobicContact CG-CD2 4.28Å |
| 20 | F | 98.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130 | -177.7 | -173.3 | -110.9 | 0 | 0 | 0 | 111 | K22 S25 T26 Y27 R51 | F20-K22 HydrophobicContact CD1-CG 3.98Å; F20-K22 HydrophobicContact CE1-CB 4.41Å; F20-K22 HydrophobicContact CE1-CG 3.99Å; F20-S25 VanDerWaalsContact CE2-C 3.43Å; F20-S25 WeakPolarHBondContact CE2-O 3.41Å; F20-T26 WeakPolarHBondContact CA-O 2.93Å; F20-Y27 HydrophobicContact CB-CD1 4.21Å; F20-Y27 HydrophobicContact CB-CE1 4.09Å; F20-Y27 AromaticContact CD2-CD1 3.66Å; F20-Y27 HydrophobicContact CD2-CD1 3.66Å; F20-Y27 AromaticContact CD2-CE1 3.39Å; F20-Y27 HydrophobicContact CD2-CE1 3.39Å; F20-Y27 HydrophobicContact CD2-CG 4.3Å; F20-Y27 AromaticContact CD2-CZ 3.86Å; F20-Y27 HydrophobicContact CE2-CE1 4.12Å; F20-Y27 HydrophobicContact CG-CD1 4.4Å; F20-Y27 HydrophobicContact CG-CE1 4.08Å; F20-R51 PolarHBondContact O-NH1 3.5Å; F20-R51 VanDerWaalsContact O-NH1 3.1Å |
| 21 | E | 98.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.6 | 167.2 | -161.6 | -64.2 | 117.3 | 0 | 0 | 108.4 | V23 S24 S25 T26 V45 T48 | E21-V23 WeakPolarHBondContact OE1-CB 3.48Å; E21-V23 WeakPolarHBondContact OE1-CG2 3.26Å; E21-V23 PolarHBondContact OE1-N 3.37Å; E21-V23 WeakPolarHBondContact OE2-CA 3.43Å; E21-V23 WeakPolarHBondContact OE2-CB 3.31Å; E21-V23 PolarHBondContact OE2-N 3.38Å; E21-S24 PolarHBondContact OE2-N 2.91Å; E21-S24 PolarHBondContact OE2-OG 2.91Å; E21-S25 CarbonylContact O-C 3.46Å; E21-S25 WeakPolarHBondContact O-CA 3.37Å; E21-S25 PolarHBondContact O-N 3.29Å; E21-S25 VanDerWaalsContact O-N 3.11Å; E21-T26 PolarHBondContact N-O 3.32Å; E21-T26 PolarHBondContact O-N 3.01Å; E21-T26 VanDerWaalsContact O-N 3.14Å; E21-V45 HydrophobicContact CB-CB 4.23Å; E21-V45 HydrophobicContact CB-CG2 3.91Å; E21-V45 HydrophobicContact CG-CB 4.04Å; E21-V45 HydrophobicContact CG-CG1 3.95Å; E21-V45 HydrophobicContact CG-CG2 4.22Å; E21-T48 HydrophobicContact CB-CG2 4.08Å; E21-T48 HydrophobicContact CG-CG2 3.52Å |
| 22 | K | 96.4 | Very high | 97.8 | Very high | 173 Ų | 173 | 34.9 Ų | 34.9 | 75% | 0.752 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -27.8 | -166.4 | -66.3 | -177 | 179.1 | -178.2 | 0 | 113.8 | F20 | F20-K22 HydrophobicContact CD1-CG 3.98Å; F20-K22 HydrophobicContact CE1-CB 4.41Å; F20-K22 HydrophobicContact CE1-CG 3.99Å |
| 23 | V | 95.9 | Very high | 98.1 | Very high | 125 Ų | 125 | 34.4 Ų | 34.4 | 76% | 0.758 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -46.6 | -174.2 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | E21 | E21-V23 WeakPolarHBondContact OE1-CB 3.48Å; E21-V23 WeakPolarHBondContact OE1-CG2 3.26Å; E21-V23 PolarHBondContact OE1-N 3.37Å; E21-V23 WeakPolarHBondContact OE2-CA 3.43Å; E21-V23 WeakPolarHBondContact OE2-CB 3.31Å; E21-V23 PolarHBondContact OE2-N 3.38Å |
| 24 | S | 96.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.5 | 174.8 | 57 | 0 | 0 | 0 | 0 | 113.3 | E21 T26 D74 H185 | E21-S24 PolarHBondContact OE2-N 2.91Å; E21-S24 PolarHBondContact OE2-OG 2.91Å; S24-T26 WeakPolarHBondContact CB-OG1 3.28Å; S24-T26 PolarHBondContact O-N 3.2Å; S24-T26 PolarHBondContact OG-OG1 3.35Å; S24-D74 WeakPolarHBondContact CB-OD2 3.36Å; S24-H185 PolarHBondContact O-ND1 3.03Å; S24-H185 VanDerWaalsContact O-ND1 3.08Å |
| 25 | S | 97.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 35.8 | -173.5 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | F20 E21 H185 D186 | F20-S25 VanDerWaalsContact CE2-C 3.43Å; F20-S25 WeakPolarHBondContact CE2-O 3.41Å; E21-S25 CarbonylContact O-C 3.46Å; E21-S25 WeakPolarHBondContact O-CA 3.37Å; E21-S25 PolarHBondContact O-N 3.29Å; E21-S25 VanDerWaalsContact O-N 3.11Å; S25-H185 WeakPolarHBondContact O-CA 3.29Å; S25-H185 PolarHBondContact O-ND1 3.24Å; S25-D186 WeakPolarHBondContact CB-O 3.35Å |
| 26 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.5 | -177.8 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | F20 E21 S24 D43 V45 H75 A184 H185 | F20-T26 WeakPolarHBondContact CA-O 2.93Å; E21-T26 PolarHBondContact N-O 3.32Å; E21-T26 PolarHBondContact O-N 3.01Å; E21-T26 VanDerWaalsContact O-N 3.14Å; S24-T26 WeakPolarHBondContact CB-OG1 3.28Å; S24-T26 PolarHBondContact O-N 3.2Å; S24-T26 PolarHBondContact OG-OG1 3.35Å; T26-D43 HydrophobicContact CG2-CB 4.43Å; T26-V45 HydrophobicContact CG2-CG2 3.75Å; T26-H75 PolarHBondContact OG1-CE1 3.38Å; T26-H75 PolarHBondContact OG1-ND1 3.32Å; T26-A184 CarbonylContact C-O 3.33Å; T26-A184 WeakPolarHBondContact CA-O 3.49Å; T26-H185 PolarHBondContact OG1-CE1 2.66Å |
| 27 | Y | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.4 | 161 | -70.4 | -61.4 | 0 | 0 | 0 | 111.2 | Q18 L19 F20 Y29 A184 D186 N190 | Q18-Y27 HydrophobicContact CG-CD1 3.61Å; Q18-Y27 HydrophobicContact CG-CE1 4.08Å; Q18-Y27 HydrophobicContact CG-CG 4.29Å; Q18-Y27 VanDerWaalsContact NE2-CD1 3.27Å; L19-Y27 CarbonylContact O-C 3.56Å; L19-Y27 VanDerWaalsContact O-CA 3.27Å; L19-Y27 WeakPolarHBondContact O-CA 3.38Å; L19-Y27 WeakPolarHBondContact O-CD1 3.46Å; F20-Y27 HydrophobicContact CB-CD1 4.21Å; F20-Y27 HydrophobicContact CB-CE1 4.09Å; F20-Y27 AromaticContact CD2-CD1 3.66Å; F20-Y27 HydrophobicContact CD2-CD1 3.66Å; F20-Y27 AromaticContact CD2-CE1 3.39Å; F20-Y27 HydrophobicContact CD2-CE1 3.39Å; F20-Y27 HydrophobicContact CD2-CG 4.3Å; F20-Y27 AromaticContact CD2-CZ 3.86Å; F20-Y27 HydrophobicContact CE2-CE1 4.12Å; F20-Y27 HydrophobicContact CG-CD1 4.4Å; F20-Y27 HydrophobicContact CG-CE1 4.08Å; Y27-Y29 VanDerWaalsContact CB-CZ 3.45Å; Y27-Y29 VanDerWaalsContact CB-OH 3.3Å; Y27-Y29 WeakPolarHBondContact CB-OH 3.39Å; Y27-A184 PolarHBondContact N-O 2.83Å; Y27-D186 HydrophobicContact CE2-CB 3.67Å; Y27-N190 PolarHBondContact OH-O 2.63Å |
| 28 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.9 | 168.5 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | L19 L41 I42 D43 P44 R51 | L19-T28 WeakPolarHBondContact CB-O 3.47Å; L19-T28 PolarHBondContact N-O 2.96Å; L19-T28 PolarHBondContact O-N 3.12Å; T28-L41 HydrophobicContact CG2-CD1 3.65Å; T28-L41 HydrophobicContact CG2-CD2 4.31Å; T28-L41 HydrophobicContact CG2-CG 3.85Å; T28-I42 CarbonylContact C-O 3.51Å; T28-I42 VanDerWaalsContact CA-O 3.28Å; T28-I42 WeakPolarHBondContact CA-O 3.44Å; T28-I42 VanDerWaalsContact CG2-O 3.31Å; T28-I42 WeakPolarHBondContact CG2-O 3.31Å; T28-D43 WeakPolarHBondContact CB-O 3.24Å; T28-D43 PolarHBondContact OG1-O 2.89Å; T28-P44 HydrophobicContact CG2-CB 4.23Å; T28-R51 PolarHBondContact OG1-NH2 3.43Å |
| 29 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.1 | -176.9 | -55.9 | -81.4 | 0 | 0 | 0 | 111.8 | F16 R17 Q18 Y27 L41 I42 F141 F182 P183 | F16-Y29 AromaticContact CE2-CD1 3.82Å; F16-Y29 HydrophobicContact CE2-CD1 3.82Å; F16-Y29 AromaticContact CZ-CD1 3.69Å; F16-Y29 HydrophobicContact CZ-CD1 3.69Å; F16-Y29 HydrophobicContact CZ-CE1 4.1Å; R17-Y29 WeakPolarHBondContact O-CA 3.5Å; Q18-Y29 HydrophobicContact CB-CD1 4.05Å; Q18-Y29 HydrophobicContact CB-CE1 3.95Å; Q18-Y29 HydrophobicContact CG-CD1 4.07Å; Q18-Y29 HydrophobicContact CG-CE1 3.53Å; Q18-Y29 PolarHBondContact NE2-OH 2.87Å; Y27-Y29 VanDerWaalsContact CB-CZ 3.45Å; Y27-Y29 VanDerWaalsContact CB-OH 3.3Å; Y27-Y29 WeakPolarHBondContact CB-OH 3.39Å; Y29-L41 CarbonylContact O-C 3.6Å; Y29-L41 WeakPolarHBondContact O-CA 3.23Å; Y29-I42 HydrophobicContact CD2-CB 4.4Å; Y29-I42 PolarHBondContact N-O 3.09Å; Y29-I42 PolarHBondContact O-N 3.43Å; Y29-F141 HydrophobicContact CD1-CD1 4.07Å; Y29-F141 AromaticContact CD1-CE1 3.65Å; Y29-F141 HydrophobicContact CD1-CE1 3.65Å; Y29-F141 AromaticContact CD2-CD1 3.54Å; Y29-F141 HydrophobicContact CD2-CD1 3.54Å; Y29-F141 AromaticContact CD2-CE1 3.95Å; Y29-F141 HydrophobicContact CD2-CE1 3.95Å; Y29-F141 HydrophobicContact CE1-CD1 4.38Å; Y29-F141 HydrophobicContact CE1-CE1 4.18Å; Y29-F141 AromaticContact CE2-CD1 3.91Å; Y29-F141 HydrophobicContact CE2-CD1 3.91Å; Y29-F141 HydrophobicContact CE2-CE1 4.46Å; Y29-F141 AromaticContact CG-CD1 3.62Å; Y29-F141 HydrophobicContact CG-CD1 3.62Å; Y29-F141 AromaticContact CG-CE1 3.5Å; Y29-F141 HydrophobicContact CG-CE1 3.5Å; Y29-F141 VanDerWaalsContact CG-CE1 3.5Å; Y29-F182 HydrophobicContact CE1-CB 3.78Å; Y29-F182 AromaticContact CE1-CD1 3.77Å; Y29-F182 HydrophobicContact CE1-CD1 3.77Å; Y29-F182 AromaticContact CE1-CG 3.94Å; Y29-F182 HydrophobicContact CE1-CG 3.94Å; Y29-F182 HydrophobicContact CE2-CB 4.21Å; Y29-F182 WeakPolarHBondContact OH-CB 3.4Å; Y29-P183 PolarHBondContact OH-O 2.84Å |
| 30 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.5 | 168.7 | 177.3 | 70.4 | 0 | 0 | 0 | 108.8 | F16 R17 A39 L41 L55 I56 L59 | F16-L30 WeakPolarHBondContact CA-O 3.48Å; R17-L30 HydrophobicContact CB-CB 4.24Å; R17-L30 PolarHBondContact N-O 3.06Å; R17-L30 PolarHBondContact O-N 3.12Å; L30-A39 HydrophobicContact CD1-CB 4.16Å; L30-L41 HydrophobicContact CB-CD1 3.79Å; L30-L41 HydrophobicContact CD1-CD1 4.06Å; L30-L55 HydrophobicContact CD2-CD2 3.88Å; L30-L55 HydrophobicContact CD2-CG 4.08Å; L30-I56 HydrophobicContact CD1-CG1 4.25Å; L30-L59 HydrophobicContact CD2-CD1 3.67Å |
| 31 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.7 | 169.7 | -54 | 96.2 | 0 | 0 | 0 | 109.4 | L14 I15 F16 A39 V40 I42 F112 L134 F141 | L14-L31 HydrophobicContact CD1-CB 4.37Å; L14-L31 HydrophobicContact CD1-CD2 4.4Å; I15-L31 CarbonylContact O-C 3.53Å; I15-L31 VanDerWaalsContact O-CA 3.31Å; I15-L31 WeakPolarHBondContact O-CA 3.23Å; F16-L31 HydrophobicContact CD2-CD2 4.29Å; F16-L31 HydrophobicContact CD2-CG 4.13Å; L31-A39 CarbonylContact O-C 3.57Å; L31-A39 WeakPolarHBondContact O-CA 3.47Å; L31-A39 WeakPolarHBondContact O-CB 3.29Å; L31-V40 HydrophobicContact CB-CG2 3.89Å; L31-V40 HydrophobicContact CD1-CG2 3.69Å; L31-V40 HydrophobicContact CG-CG2 4.39Å; L31-V40 PolarHBondContact N-O 3.3Å; L31-V40 PolarHBondContact O-N 2.7Å; L31-I42 HydrophobicContact CD1-CD1 3.51Å; L31-I42 HydrophobicContact CD1-CG1 4.16Å; L31-F112 HydrophobicContact CB-CE2 3.7Å; L31-F112 HydrophobicContact CB-CZ 3.85Å; L31-F112 HydrophobicContact CD2-CZ 4.16Å; L31-L134 HydrophobicContact CD2-CD2 3.83Å; L31-F141 HydrophobicContact CD1-CE2 4.05Å; L31-F141 HydrophobicContact CD1-CZ 3.89Å; L31-F141 HydrophobicContact CD2-CE2 3.79Å; L31-F141 HydrophobicContact CD2-CZ 3.71Å; L31-F141 HydrophobicContact CG-CZ 4.19Å |
| 32 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I15 D38 A39 V61 | I15-A32 HydrophobicContact CB-CB 4.12Å; I15-A32 HydrophobicContact CD1-CB 4.36Å; I15-A32 PolarHBondContact N-O 3.16Å; I15-A32 PolarHBondContact O-N 3.38Å; A32-D38 VanDerWaalsContact CA-O 3.3Å; A32-D38 WeakPolarHBondContact CA-O 3.31Å; A32-A39 HydrophobicContact CB-CB 3.59Å; A32-V61 HydrophobicContact CB-CB 4.13Å; A32-V61 HydrophobicContact CB-CG1 3.66Å |
| 33 | D | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 121.4 | 166.5 | -177.7 | -29.3 | 0 | 0 | 0 | 109.1 | H35 T36 K37 D38 G113 N114 F115 | D33-H35 PolarHBondContact O-N 2.69Å; D33-H35 WeakPolarHBondContact OD1-CA 3.25Å; D33-H35 WeakPolarHBondContact OD1-CB 3.38Å; D33-H35 IonicContact OD1-CD2 3.66Å; D33-H35 IonicContact OD1-CG 3.85Å; D33-H35 PolarHBondContact OD1-N 2.81Å; D33-T36 WeakPolarHBondContact CB-OG1 3.45Å; D33-T36 PolarHBondContact OD1-N 3.13Å; D33-T36 PolarHBondContact OD2-OG1 3.39Å; D33-T36 VanDerWaalsContact OD2-OG1 3.13Å; D33-K37 WeakPolarHBondContact O-CA 3.24Å; D33-K37 PolarHBondContact O-N 2.9Å; D33-D38 PolarHBondContact N-O 2.64Å; D33-G113 WeakPolarHBondContact OD2-CA 3.39Å; D33-N114 PolarHBondContact OD2-N 2.84Å; D33-N114 PolarHBondContact OD2-ND2 2.66Å; D33-F115 HydrophobicContact CB-CD2 3.83Å; D33-F115 HydrophobicContact CB-CE2 3.96Å |
| 34 | S | 97.3 | Very high | 98.5 | Very high | 28 Ų | 28 | 18.7 Ų | 18.7 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.7 | -176.4 | 73.3 | 0 | 0 | 0 | 0 | 113.5 | G12 P13 K37 | G12-S34 WeakPolarHBondContact O-CB 3.48Å; G12-S34 PolarHBondContact O-OG 3.41Å; P13-S34 VanDerWaalsContact CA-OG 3.32Å; P13-S34 WeakPolarHBondContact CA-OG 3.11Å; P13-S34 PolarHBondContact O-N 2.72Å; P13-S34 PolarHBondContact O-OG 3.39Å; S34-K37 WeakPolarHBondContact O-CE 3.48Å; S34-K37 PolarHBondContact O-NZ 3.44Å |
| 35 | H | 97.2 | Very high | 98.6 | Very high | 138 Ų | 138 | 18 Ų | 18 | 64% | 0.639 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -54.4 | 179.7 | -57.2 | -72.6 | 0 | 0 | 0 | 112.4 | D33 | D33-H35 PolarHBondContact O-N 2.69Å; D33-H35 WeakPolarHBondContact OD1-CA 3.25Å; D33-H35 WeakPolarHBondContact OD1-CB 3.38Å; D33-H35 IonicContact OD1-CD2 3.66Å; D33-H35 IonicContact OD1-CG 3.85Å; D33-H35 PolarHBondContact OD1-N 2.81Å |
| 36 | T | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 18.7 Ų | 18.7 | 28% | 0.282 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.2 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | D33 D38 K62 G113 | D33-T36 WeakPolarHBondContact CB-OG1 3.45Å; D33-T36 PolarHBondContact OD1-N 3.13Å; D33-T36 PolarHBondContact OD2-OG1 3.39Å; D33-T36 VanDerWaalsContact OD2-OG1 3.13Å; T36-D38 PolarHBondContact O-N 3.49Å; T36-D38 PolarHBondContact OG1-N 3.03Å; T36-K62 PolarHBondContact O-NZ 2.83Å; T36-G113 WeakPolarHBondContact OG1-CA 3.08Å |
| 37 | K | 98.4 | Very high | 98.6 | Very high | 65 Ų | 65 | 23.6 Ų | 23.6 | 28% | 0.283 | 12% | 0.118 | S | C | . | . | trans | 69.9 | 1.6 | -173.2 | -54.4 | -54.9 | -168.6 | -171.2 | 0 | 114.8 | D33 S34 A39 D60 V61 K62 | D33-K37 WeakPolarHBondContact O-CA 3.24Å; D33-K37 PolarHBondContact O-N 2.9Å; S34-K37 WeakPolarHBondContact O-CE 3.48Å; S34-K37 PolarHBondContact O-NZ 3.44Å; K37-A39 PolarHBondContact O-N 3.31Å; K37-D60 WeakPolarHBondContact CD-O 3.09Å; K37-V61 CarbonylContact O-C 3.56Å; K37-V61 WeakPolarHBondContact O-CA 3.39Å; K37-V61 WeakPolarHBondContact O-CB 3.14Å; K37-K62 HydrophobicContact CB-CD 4.5Å; K37-K62 HydrophobicContact CB-CG 4.35Å; K37-K62 PolarHBondContact O-N 2.94Å | ||
| 38 | D | 98.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 23.9 Ų | 23.9 | 33% | 0.326 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.6 | 177.9 | -64.8 | -32.5 | 0 | 0 | 0 | 110.6 | A32 D33 T36 F112 G113 | A32-D38 VanDerWaalsContact CA-O 3.3Å; A32-D38 WeakPolarHBondContact CA-O 3.31Å; D33-D38 PolarHBondContact N-O 2.64Å; T36-D38 PolarHBondContact O-N 3.49Å; T36-D38 PolarHBondContact OG1-N 3.03Å; D38-F112 HydrophobicContact CB-CB 4.28Å; D38-G113 VanDerWaalsContact CB-N 3.3Å; D38-G113 PolarHBondContact OD2-N 2.69Å |
| 39 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L30 L31 A32 K37 V61 K62 G64 | L30-A39 HydrophobicContact CD1-CB 4.16Å; L31-A39 CarbonylContact O-C 3.57Å; L31-A39 WeakPolarHBondContact O-CA 3.47Å; L31-A39 WeakPolarHBondContact O-CB 3.29Å; A32-A39 HydrophobicContact CB-CB 3.59Å; K37-A39 PolarHBondContact O-N 3.31Å; A39-V61 HydrophobicContact CB-CB 3.98Å; A39-V61 HydrophobicContact CB-CG2 3.97Å; A39-K62 PolarHBondContact N-O 3.11Å; A39-G64 PolarHBondContact O-N 3.13Å |
| 40 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | 167.6 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | L31 P65 I67 I110 F112 L117 | L31-V40 HydrophobicContact CB-CG2 3.89Å; L31-V40 HydrophobicContact CD1-CG2 3.69Å; L31-V40 HydrophobicContact CG-CG2 4.39Å; L31-V40 PolarHBondContact N-O 3.3Å; L31-V40 PolarHBondContact O-N 2.7Å; V40-P65 VanDerWaalsContact CA-O 3.29Å; V40-P65 WeakPolarHBondContact CA-O 3.41Å; V40-P65 HydrophobicContact CB-CB 4.19Å; V40-P65 HydrophobicContact CG1-CB 3.73Å; V40-P65 HydrophobicContact CG1-CG 3.58Å; V40-I67 HydrophobicContact CB-CD1 4.15Å; V40-I67 HydrophobicContact CG1-CD1 4.47Å; V40-I67 HydrophobicContact CG2-CD1 4.49Å; V40-I110 HydrophobicContact CG1-CG2 4.36Å; V40-F112 HydrophobicContact CG1-CB 3.7Å; V40-F112 HydrophobicContact CG1-CD1 3.74Å; V40-F112 HydrophobicContact CG1-CG 3.77Å; V40-F112 HydrophobicContact CG2-CD1 4.25Å; V40-F112 HydrophobicContact CG2-CE1 4.35Å; V40-F112 HydrophobicContact CG2-CG 4.46Å; V40-L117 HydrophobicContact CG2-CD1 4.06Å |
| 41 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.4 | 172.5 | -167.8 | 72.3 | 0 | 0 | 0 | 109.1 | T28 Y29 L30 P44 D52 L63 P65 I66 I67 L82 | T28-L41 HydrophobicContact CG2-CD1 3.65Å; T28-L41 HydrophobicContact CG2-CD2 4.31Å; T28-L41 HydrophobicContact CG2-CG 3.85Å; Y29-L41 CarbonylContact O-C 3.6Å; Y29-L41 WeakPolarHBondContact O-CA 3.23Å; L30-L41 HydrophobicContact CB-CD1 3.79Å; L30-L41 HydrophobicContact CD1-CD1 4.06Å; L41-P44 HydrophobicContact CD2-CB 3.75Å; L41-P44 HydrophobicContact CD2-CG 4.33Å; L41-P44 HydrophobicContact CG-CB 4.34Å; L41-D52 HydrophobicContact CD2-CB 4.15Å; L41-L63 HydrophobicContact CB-CD1 3.68Å; L41-P65 PolarHBondContact N-O 3.08Å; L41-I66 CarbonylContact O-C 3.58Å; L41-I66 WeakPolarHBondContact O-CA 3.42Å; L41-I67 PolarHBondContact O-N 2.82Å; L41-L82 HydrophobicContact CD2-CD1 3.61Å |
| 42 | I | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.2 | -177.5 | -53.1 | 169.5 | 0 | 0 | 0 | 109.2 | T28 Y29 L31 I67 T69 L117 L132 F141 | T28-I42 CarbonylContact C-O 3.51Å; T28-I42 VanDerWaalsContact CA-O 3.28Å; T28-I42 WeakPolarHBondContact CA-O 3.44Å; T28-I42 VanDerWaalsContact CG2-O 3.31Å; T28-I42 WeakPolarHBondContact CG2-O 3.31Å; Y29-I42 HydrophobicContact CD2-CB 4.4Å; Y29-I42 PolarHBondContact N-O 3.09Å; Y29-I42 PolarHBondContact O-N 3.43Å; L31-I42 HydrophobicContact CD1-CD1 3.51Å; L31-I42 HydrophobicContact CD1-CG1 4.16Å; I42-I67 CarbonylContact C-O 3.22Å; I42-I67 VanDerWaalsContact CA-O 3.27Å; I42-I67 WeakPolarHBondContact CA-O 3.24Å; I42-I67 HydrophobicContact CG1-CB 4.46Å; I42-I67 HydrophobicContact CG1-CD1 4.27Å; I42-T69 HydrophobicContact CG2-CG2 3.81Å; I42-L117 HydrophobicContact CD1-CD1 4.27Å; I42-L132 HydrophobicContact CD1-CD1 3.91Å; I42-L132 HydrophobicContact CG1-CD1 4.15Å; I42-L132 HydrophobicContact CG2-CD1 4.14Å; I42-F141 HydrophobicContact CD1-CB 4.19Å; I42-F141 HydrophobicContact CD1-CD1 3.99Å; I42-F141 HydrophobicContact CD1-CD2 3.58Å; I42-F141 HydrophobicContact CD1-CE1 4.36Å; I42-F141 HydrophobicContact CD1-CE2 3.98Å; I42-F141 HydrophobicContact CD1-CG 3.61Å; I42-F141 HydrophobicContact CD1-CZ 4.37Å |
| 43 | D | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 52 | 56.6 | 176.6 | -63.8 | -33.1 | 0 | 0 | 0 | 114.1 | T26 T28 I67 N68 T69 H72 | T26-D43 HydrophobicContact CG2-CB 4.43Å; T28-D43 WeakPolarHBondContact CB-O 3.24Å; T28-D43 PolarHBondContact OG1-O 2.89Å; D43-I67 PolarHBondContact N-O 3.26Å; D43-N68 VanDerWaalsContact OD1-CA 3.28Å; D43-N68 WeakPolarHBondContact OD1-CA 3.12Å; D43-T69 PolarHBondContact OD1-N 3.44Å; D43-T69 PolarHBondContact OD1-OG1 2.71Å; D43-T69 VanDerWaalsContact OD1-OG1 3.12Å; D43-T69 WeakPolarHBondContact OD2-CG2 3.48Å; D43-T69 PolarHBondContact OD2-OG1 2.77Å; D43-H72 VanDerWaalsContact CG-NE2 3.28Å; D43-H72 IonicContact OD1-CD2 3.63Å; D43-H72 IonicContact OD1-CE1 3.21Å; D43-H72 IonicContact OD1-NE2 3.9Å; D43-H72 PolarHBondContact OD1-NE2 3.28Å; D43-H72 IonicContact OD2-NE2 3.71Å |
| 44 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -74.4 | 141.4 | 175.7 | 32 | -35.5 | 0 | 0 | 0 | 112.4 | T28 L41 I66 T77 G78 L82 | T28-P44 HydrophobicContact CG2-CB 4.23Å; L41-P44 HydrophobicContact CD2-CB 3.75Å; L41-P44 HydrophobicContact CD2-CG 4.33Å; L41-P44 HydrophobicContact CG-CB 4.34Å; P44-I66 HydrophobicContact CG-CG2 3.58Å; P44-T77 CarbonylContact O-C 3.47Å; P44-T77 VanDerWaalsContact O-CA 3.26Å; P44-T77 WeakPolarHBondContact O-CA 3.42Å; P44-T77 PolarHBondContact O-OG1 2.77Å; P44-G78 PolarHBondContact O-N 2.77Å; P44-L82 HydrophobicContact CB-CD1 3.55Å; P44-L82 HydrophobicContact CG-CD1 3.91Å | ||
| 45 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 137.7 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | E21 T26 E47 T48 V49 H75 | E21-V45 HydrophobicContact CB-CB 4.23Å; E21-V45 HydrophobicContact CB-CG2 3.91Å; E21-V45 HydrophobicContact CG-CB 4.04Å; E21-V45 HydrophobicContact CG-CG1 3.95Å; E21-V45 HydrophobicContact CG-CG2 4.22Å; T26-V45 HydrophobicContact CG2-CG2 3.75Å; V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.34Å; V45-T48 PolarHBondContact O-N 3.16Å; V45-T48 PolarHBondContact O-OG1 2.98Å; V45-V49 PolarHBondContact O-N 2.84Å; V45-H75 HydrophobicContact CG1-CB 3.98Å |
| 46 | L | 98.3 | Very high | 98.7 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -53 | -48.6 | -176 | 178.8 | 67.4 | 0 | 0 | 0 | 112.4 | T48 V49 V76 L81 | L46-T48 PolarHBondContact O-N 3.06Å; L46-T48 VanDerWaalsContact O-N 3.1Å; L46-V49 VanDerWaalsContact O-CG2 3.27Å; L46-V49 WeakPolarHBondContact O-CG2 3.48Å; L46-V49 PolarHBondContact O-N 3.34Å; L46-V76 HydrophobicContact CB-CB 4.01Å; L46-V76 HydrophobicContact CB-CG1 4.15Å; L46-V76 VanDerWaalsContact CB-O 3.29Å; L46-V76 WeakPolarHBondContact CB-O 3.26Å; L46-V76 HydrophobicContact CD2-CB 4.02Å; L46-V76 HydrophobicContact CD2-CG1 3.84Å; L46-V76 PolarHBondContact N-O 3.15Å; L46-L81 HydrophobicContact CD1-CD1 3.6Å; L46-L81 HydrophobicContact CD1-CG 4.09Å |
| 47 | E | 97.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 39 Ų | 39 | 49% | 0.486 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -65.3 | -13.6 | -178.2 | -70.1 | 76 | -169.4 | 0 | 0 | 113 | V45 R229 | V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.34Å; E47-R229 IonicContact OE1-CZ 3.48Å; E47-R229 IonicContact OE1-NH1 2.64Å; E47-R229 IonicContact OE1-NH2 3.44Å; E47-R229 PolarHBondContact OE1-NH2 3.36Å |
| 48 | T | 98.6 | Very high | 98.7 | Very high | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -110.3 | 8.9 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 115 | E21 V45 L46 E50 R51 D52 | E21-T48 HydrophobicContact CB-CG2 4.08Å; E21-T48 HydrophobicContact CG-CG2 3.52Å; V45-T48 PolarHBondContact O-N 3.16Å; V45-T48 PolarHBondContact O-OG1 2.98Å; L46-T48 PolarHBondContact O-N 3.06Å; L46-T48 VanDerWaalsContact O-N 3.1Å; T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 PolarHBondContact O-N 3.11Å; T48-R51 VanDerWaalsContact CB-CZ 3.44Å; T48-R51 WeakPolarHBondContact O-CA 3.46Å; T48-R51 VanDerWaalsContact O-CB 3.27Å; T48-R51 WeakPolarHBondContact O-CB 3.47Å; T48-R51 PolarHBondContact O-N 2.63Å; T48-R51 PolarHBondContact OG1-NH2 3.41Å; T48-D52 PolarHBondContact O-N 3.14Å |
| 49 | V | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.7 | -40.9 | -179.6 | 165.6 | 0 | 0 | 0 | 0 | 112.9 | V45 L46 D52 K53 G78 L81 L82 | V45-V49 PolarHBondContact O-N 2.84Å; L46-V49 VanDerWaalsContact O-CG2 3.27Å; L46-V49 WeakPolarHBondContact O-CG2 3.48Å; L46-V49 PolarHBondContact O-N 3.34Å; V49-D52 PolarHBondContact O-N 2.91Å; V49-K53 HydrophobicContact CG1-CD 4.08Å; V49-K53 HydrophobicContact CG1-CG 4.37Å; V49-K53 WeakPolarHBondContact O-CB 3.22Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.44Å; V49-G78 VanDerWaalsContact CG2-CA 3.46Å; V49-L81 HydrophobicContact CG1-CB 3.92Å; V49-L81 HydrophobicContact CG1-CD1 4.43Å; V49-L81 HydrophobicContact CG2-CB 4.23Å; V49-L81 HydrophobicContact CG2-CD1 4.44Å; V49-L82 HydrophobicContact CG1-CD2 4.08Å; V49-L82 HydrophobicContact CG1-CG 4.12Å; V49-L82 HydrophobicContact CG2-CD1 4.4Å; V49-L82 HydrophobicContact CG2-CG 4.17Å |
| 50 | E | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 46.7 Ų | 46.7 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.4 | -31.1 | 179.7 | -64.4 | -54.3 | 128.6 | 0 | 0 | 112.8 | T48 D52 K53 K54 | T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 PolarHBondContact O-N 3.11Å; E50-D52 VanDerWaalsContact C-N 3.33Å; E50-K53 WeakPolarHBondContact OE1-CD 3.13Å; E50-K53 IonicContact OE1-NZ 3.84Å; E50-K53 PolarHBondContact OE1-NZ 2.72Å; E50-K54 VanDerWaalsContact O-CB 3.26Å; E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 PolarHBondContact O-N 2.82Å |
| 51 | R | 98.7 | Very high | 98.5 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 169 | 174.2 | -158.3 | 71.1 | -168.5 | -3.3 | 109.6 | F20 T28 T48 K54 L55 | F20-R51 PolarHBondContact O-NH1 3.5Å; F20-R51 VanDerWaalsContact O-NH1 3.1Å; T28-R51 PolarHBondContact OG1-NH2 3.43Å; T48-R51 VanDerWaalsContact CB-CZ 3.44Å; T48-R51 WeakPolarHBondContact O-CA 3.46Å; T48-R51 VanDerWaalsContact O-CB 3.27Å; T48-R51 WeakPolarHBondContact O-CB 3.47Å; T48-R51 PolarHBondContact O-N 2.63Å; T48-R51 PolarHBondContact OG1-NH2 3.41Å; R51-K54 PolarHBondContact O-N 3.39Å; R51-L55 PolarHBondContact O-N 3.18Å |
| 52 | D | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | -174.3 | -61.8 | -15.4 | 0 | 0 | 0 | 111.2 | L19 L41 T48 V49 E50 K54 L55 I56 L82 | L19-D52 WeakPolarHBondContact CD1-OD1 3.3Å; L41-D52 HydrophobicContact CD2-CB 4.15Å; T48-D52 PolarHBondContact O-N 3.14Å; V49-D52 PolarHBondContact O-N 2.91Å; E50-D52 VanDerWaalsContact C-N 3.33Å; D52-K54 VanDerWaalsContact C-N 3.33Å; D52-K54 PolarHBondContact O-N 2.82Å; D52-L55 PolarHBondContact O-N 2.85Å; D52-I56 WeakPolarHBondContact O-CB 3.17Å; D52-I56 WeakPolarHBondContact O-CD1 3.35Å; D52-I56 VanDerWaalsContact O-CG1 3.27Å; D52-I56 WeakPolarHBondContact O-CG1 3.45Å; D52-I56 PolarHBondContact O-N 3.1Å; D52-L82 HydrophobicContact CB-CD2 4.31Å |
| 53 | K | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 27% | 0.27 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.4 | -46.6 | 173 | -77.7 | 176.2 | -177.1 | 168.9 | 0 | 112.3 | V49 E50 L55 I56 S57 L82 I85 | V49-K53 HydrophobicContact CG1-CD 4.08Å; V49-K53 HydrophobicContact CG1-CG 4.37Å; V49-K53 WeakPolarHBondContact O-CB 3.22Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.44Å; E50-K53 WeakPolarHBondContact OE1-CD 3.13Å; E50-K53 IonicContact OE1-NZ 3.84Å; E50-K53 PolarHBondContact OE1-NZ 2.72Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.24Å; K53-I56 PolarHBondContact O-N 3.09Å; K53-S57 WeakPolarHBondContact O-CB 3.28Å; K53-S57 PolarHBondContact O-N 2.99Å; K53-L82 HydrophobicContact CG-CD2 4.01Å; K53-I85 HydrophobicContact CG-CD1 4.07Å |
| 54 | K | 98.8 | Very high | 98.5 | Very high | 133 Ų | 133 | 54.2 Ų | 54.2 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 178.8 | -178.3 | 177 | 178.9 | 178.6 | 0 | 110.7 | E50 R51 D52 S57 Q58 | E50-K54 VanDerWaalsContact O-CB 3.26Å; E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 PolarHBondContact O-N 2.82Å; R51-K54 PolarHBondContact O-N 3.39Å; D52-K54 VanDerWaalsContact C-N 3.33Å; D52-K54 PolarHBondContact O-N 2.82Å; K54-S57 PolarHBondContact O-N 3.1Å; K54-Q58 HydrophobicContact CG-CG 4.37Å; K54-Q58 WeakPolarHBondContact O-CB 3.36Å; K54-Q58 WeakPolarHBondContact O-CG 3.31Å; K54-Q58 PolarHBondContact O-N 3.44Å |
| 55 | L | 98.7 | Very high | 98.5 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -45 | 178.6 | -177.9 | 64.6 | 0 | 0 | 0 | 112.1 | R17 L19 L30 R51 D52 K53 S57 Q58 L59 | R17-L55 HydrophobicContact CB-CD2 4.22Å; R17-L55 HydrophobicContact CG-CD2 4.21Å; L19-L55 HydrophobicContact CD1-CD2 3.76Å; L19-L55 HydrophobicContact CD2-CD2 3.76Å; L19-L55 HydrophobicContact CG-CD2 4.28Å; L30-L55 HydrophobicContact CD2-CD2 3.88Å; L30-L55 HydrophobicContact CD2-CG 4.08Å; R51-L55 PolarHBondContact O-N 3.18Å; D52-L55 PolarHBondContact O-N 2.85Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.24Å; L55-S57 VanDerWaalsContact C-N 3.3Å; L55-S57 PolarHBondContact O-N 3.45Å; L55-Q58 PolarHBondContact O-N 3.05Å; L55-L59 HydrophobicContact CD1-CD1 3.77Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.37Å; L55-L59 PolarHBondContact O-N 3.26Å |
| 56 | I | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 176.5 | -72.6 | 158.3 | 0 | 0 | 0 | 110.6 | L30 D52 K53 L59 D60 V61 L63 I85 | L30-I56 HydrophobicContact CD1-CG1 4.25Å; D52-I56 WeakPolarHBondContact O-CB 3.17Å; D52-I56 WeakPolarHBondContact O-CD1 3.35Å; D52-I56 VanDerWaalsContact O-CG1 3.27Å; D52-I56 WeakPolarHBondContact O-CG1 3.45Å; D52-I56 PolarHBondContact O-N 3.1Å; K53-I56 PolarHBondContact O-N 3.09Å; I56-L59 PolarHBondContact O-N 3.23Å; I56-D60 PolarHBondContact O-N 3.48Å; I56-V61 HydrophobicContact CB-CG2 4.38Å; I56-V61 HydrophobicContact CG1-CG2 4.45Å; I56-V61 HydrophobicContact CG2-CG2 4.09Å; I56-V61 WeakPolarHBondContact CG2-O 3.34Å; I56-V61 PolarHBondContact O-N 2.66Å; I56-L63 HydrophobicContact CD1-CB 4.24Å; I56-L63 HydrophobicContact CD1-CD1 4.39Å; I56-L63 HydrophobicContact CD1-CD2 3.75Å; I56-L63 HydrophobicContact CD1-CG 4.35Å; I56-L63 HydrophobicContact CG2-CB 4.4Å; I56-I85 HydrophobicContact CD1-CD1 4.29Å |
| 57 | S | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.6 | 176 | 0 | 0 | 0 | 0 | 112.5 | K53 K54 L55 L59 D60 | K53-S57 WeakPolarHBondContact O-CB 3.28Å; K53-S57 PolarHBondContact O-N 2.99Å; K54-S57 PolarHBondContact O-N 3.1Å; L55-S57 VanDerWaalsContact C-N 3.3Å; L55-S57 PolarHBondContact O-N 3.45Å; S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 2.95Å; S57-D60 PolarHBondContact O-N 3.38Å |
| 58 | Q | 98.4 | Very high | 98.6 | Very high | 128 Ų | 128 | 48.3 Ų | 48.3 | 60% | 0.598 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.3 | -31.6 | 179.6 | -76.5 | 177.8 | -34.5 | 0 | 0 | 113.4 | K54 L55 D60 | K54-Q58 HydrophobicContact CG-CG 4.37Å; K54-Q58 WeakPolarHBondContact O-CB 3.36Å; K54-Q58 WeakPolarHBondContact O-CG 3.31Å; K54-Q58 PolarHBondContact O-N 3.44Å; L55-Q58 PolarHBondContact O-N 3.05Å; Q58-D60 VanDerWaalsContact C-N 3.33Å |
| 59 | L | 97.3 | Very high | 98.6 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -86.5 | -5.8 | 177.3 | -65.2 | 178.5 | 0 | 0 | 0 | 113.1 | I15 R17 L30 L55 I56 S57 V61 | I15-L59 HydrophobicContact CG2-CD1 4.16Å; R17-L59 HydrophobicContact CG-CD1 4.21Å; L30-L59 HydrophobicContact CD2-CD1 3.67Å; L55-L59 HydrophobicContact CD1-CD1 3.77Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.37Å; L55-L59 PolarHBondContact O-N 3.26Å; I56-L59 PolarHBondContact O-N 3.23Å; S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 2.95Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 HydrophobicContact CB-CG1 4.06Å; L59-V61 HydrophobicContact CB-CG2 4.3Å; L59-V61 PolarHBondContact O-N 3.21Å |
| 60 | D | 97.8 | Very high | 98.6 | Very high | 121 Ų | 121 | 47.3 Ų | 47.3 | 65% | 0.647 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 51.4 | -176.3 | -171.5 | 39.1 | 0 | 0 | 0 | 111.9 | K37 I56 S57 Q58 | K37-D60 WeakPolarHBondContact CD-O 3.09Å; I56-D60 PolarHBondContact O-N 3.48Å; S57-D60 PolarHBondContact O-N 3.38Å; Q58-D60 VanDerWaalsContact C-N 3.33Å |
| 61 | V | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | trans | -112.6 | 149 | 179 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | I15 A32 K37 A39 I56 L59 | I15-V61 HydrophobicContact CD1-CG1 4.18Å; A32-V61 HydrophobicContact CB-CB 4.13Å; A32-V61 HydrophobicContact CB-CG1 3.66Å; K37-V61 CarbonylContact O-C 3.56Å; K37-V61 WeakPolarHBondContact O-CA 3.39Å; K37-V61 WeakPolarHBondContact O-CB 3.14Å; A39-V61 HydrophobicContact CB-CB 3.98Å; A39-V61 HydrophobicContact CB-CG2 3.97Å; I56-V61 HydrophobicContact CB-CG2 4.38Å; I56-V61 HydrophobicContact CG1-CG2 4.45Å; I56-V61 HydrophobicContact CG2-CG2 4.09Å; I56-V61 WeakPolarHBondContact CG2-O 3.34Å; I56-V61 PolarHBondContact O-N 2.66Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 HydrophobicContact CB-CG1 4.06Å; L59-V61 HydrophobicContact CB-CG2 4.3Å; L59-V61 PolarHBondContact O-N 3.21Å | ||
| 62 | K | 98.7 | Very high | 98.5 | Very high | 130 Ų | 130 | 38.3 Ų | 38.3 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 100.8 | 179.9 | -59.8 | 171.6 | -170.8 | 159.7 | 0 | 109 | T36 K37 A39 G64 | T36-K62 PolarHBondContact O-NZ 2.83Å; K37-K62 HydrophobicContact CB-CD 4.5Å; K37-K62 HydrophobicContact CB-CG 4.35Å; K37-K62 PolarHBondContact O-N 2.94Å; A39-K62 PolarHBondContact N-O 3.11Å; K62-G64 PolarHBondContact O-N 3.02Å |
| 63 | L | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.6 | 177.1 | -177.2 | 68.3 | 0 | 0 | 0 | 110.5 | L41 I56 I66 I85 G87 S88 | L41-L63 HydrophobicContact CB-CD1 3.68Å; I56-L63 HydrophobicContact CD1-CB 4.24Å; I56-L63 HydrophobicContact CD1-CD1 4.39Å; I56-L63 HydrophobicContact CD1-CD2 3.75Å; I56-L63 HydrophobicContact CD1-CG 4.35Å; I56-L63 HydrophobicContact CG2-CB 4.4Å; L63-I66 HydrophobicContact CD1-CG1 4.39Å; L63-I66 HydrophobicContact CD2-CD1 3.99Å; L63-I66 HydrophobicContact CD2-CG1 3.76Å; L63-I66 HydrophobicContact CG-CG1 4.13Å; L63-I85 HydrophobicContact CD2-CD1 3.87Å; L63-G87 CarbonylContact O-C 3.59Å; L63-S88 WeakPolarHBondContact CB-OG 3.46Å; L63-S88 WeakPolarHBondContact CG-OG 3.26Å; L63-S88 WeakPolarHBondContact O-CA 3.29Å; L63-S88 PolarHBondContact O-N 3.43Å; L63-S88 PolarHBondContact O-OG 3.21Å |
| 64 | G | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -101.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A39 K62 I66 S88 Y89 | A39-G64 PolarHBondContact O-N 3.13Å; K62-G64 PolarHBondContact O-N 3.02Å; G64-I66 PolarHBondContact O-N 3.15Å; G64-S88 CarbonylContact O-C 3.5Å; G64-S88 VanDerWaalsContact O-CA 3.23Å; G64-S88 WeakPolarHBondContact O-CA 3.26Å; G64-Y89 PolarHBondContact O-N 2.99Å |
| 65 | P | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 126.7 | 177 | -21.4 | 26.7 | 0 | 0 | 0 | 114.2 | V40 L41 I67 Y89 V91 I110 | V40-P65 VanDerWaalsContact CA-O 3.29Å; V40-P65 WeakPolarHBondContact CA-O 3.41Å; V40-P65 HydrophobicContact CB-CB 4.19Å; V40-P65 HydrophobicContact CG1-CB 3.73Å; V40-P65 HydrophobicContact CG1-CG 3.58Å; L41-P65 PolarHBondContact N-O 3.08Å; P65-I67 HydrophobicContact CB-CD1 4.06Å; P65-I67 HydrophobicContact CB-CG1 3.83Å; P65-Y89 HydrophobicContact CB-CE2 4.35Å; P65-Y89 HydrophobicContact CG-CE1 4.21Å; P65-Y89 HydrophobicContact CG-CE2 4.27Å; P65-Y89 WeakPolarHBondContact CG-OH 3.31Å; P65-V91 HydrophobicContact CB-CG2 4.04Å; P65-I110 HydrophobicContact CB-CG2 3.79Å; P65-I110 HydrophobicContact CG-CG2 3.43Å; P65-I110 VanDerWaalsContact CG-CG2 3.43Å |
| 66 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 100.5 | 168 | -55.3 | 158.1 | 0 | 0 | 0 | 107.6 | L41 P44 L63 G64 S79 L82 K83 Y89 S90 V91 | L41-I66 CarbonylContact O-C 3.58Å; L41-I66 WeakPolarHBondContact O-CA 3.42Å; P44-I66 HydrophobicContact CG-CG2 3.58Å; L63-I66 HydrophobicContact CD1-CG1 4.39Å; L63-I66 HydrophobicContact CD2-CD1 3.99Å; L63-I66 HydrophobicContact CD2-CG1 3.76Å; L63-I66 HydrophobicContact CG-CG1 4.13Å; G64-I66 PolarHBondContact O-N 3.15Å; I66-S79 WeakPolarHBondContact CG2-OG 3.16Å; I66-L82 HydrophobicContact CD1-CB 3.52Å; I66-L82 HydrophobicContact CG1-CB 4.38Å; I66-L82 HydrophobicContact CG2-CD1 4.37Å; I66-K83 HydrophobicContact CD1-CB 4.2Å; I66-Y89 PolarHBondContact N-O 3.19Å; I66-S90 CarbonylContact O-C 3.54Å; I66-V91 PolarHBondContact O-N 3.44Å |
| 67 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.5 | -163.7 | -48 | 161.5 | 0 | 0 | 0 | 109.3 | V40 L41 I42 D43 P65 V91 I110 L117 L132 | V40-I67 HydrophobicContact CB-CD1 4.15Å; V40-I67 HydrophobicContact CG1-CD1 4.47Å; V40-I67 HydrophobicContact CG2-CD1 4.49Å; L41-I67 PolarHBondContact O-N 2.82Å; I42-I67 CarbonylContact C-O 3.22Å; I42-I67 VanDerWaalsContact CA-O 3.27Å; I42-I67 WeakPolarHBondContact CA-O 3.24Å; I42-I67 HydrophobicContact CG1-CB 4.46Å; I42-I67 HydrophobicContact CG1-CD1 4.27Å; D43-I67 PolarHBondContact N-O 3.26Å; P65-I67 HydrophobicContact CB-CD1 4.06Å; P65-I67 HydrophobicContact CB-CG1 3.83Å; I67-V91 WeakPolarHBondContact CA-O 3.43Å; I67-V91 HydrophobicContact CB-CB 4.34Å; I67-V91 HydrophobicContact CG1-CB 4.01Å; I67-V91 HydrophobicContact CG1-CG1 4.44Å; I67-V91 HydrophobicContact CG1-CG2 4.3Å; I67-V91 HydrophobicContact CG2-CB 4.32Å; I67-V91 HydrophobicContact CG2-CG1 4.33Å; I67-I110 HydrophobicContact CD1-CD1 3.58Å; I67-I110 HydrophobicContact CD1-CG2 4.21Å; I67-I110 HydrophobicContact CG1-CD1 3.98Å; I67-I110 HydrophobicContact CG2-CD1 4.41Å; I67-L117 HydrophobicContact CD1-CD1 3.86Å; I67-L132 HydrophobicContact CB-CD1 4.32Å; I67-L132 HydrophobicContact CD1-CD1 4.14Å; I67-L132 HydrophobicContact CG2-CD1 3.67Å |
| 68 | N | 98.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | trans | -104.5 | 130.2 | 163.1 | -60.6 | -91.9 | 0 | 0 | 0 | 108.2 | D43 H70 T77 S79 V91 L92 | D43-N68 VanDerWaalsContact OD1-CA 3.28Å; D43-N68 WeakPolarHBondContact OD1-CA 3.12Å; N68-H70 PolarHBondContact O-N 2.71Å; N68-T77 PolarHBondContact ND2-OG1 3.21Å; N68-T77 WeakPolarHBondContact OD1-CB 3.29Å; N68-T77 PolarHBondContact OD1-OG1 2.83Å; N68-S79 PolarHBondContact ND2-OG 3.2Å; N68-V91 PolarHBondContact N-O 2.74Å; N68-L92 HydrophobicContact CB-CD1 4.01Å; N68-L92 WeakPolarHBondContact O-CD1 3.43Å | ||
| 69 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -66 | -26.3 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | I42 D43 M130 L132 G143 | I42-T69 HydrophobicContact CG2-CG2 3.81Å; D43-T69 PolarHBondContact OD1-N 3.44Å; D43-T69 PolarHBondContact OD1-OG1 2.71Å; D43-T69 VanDerWaalsContact OD1-OG1 3.12Å; D43-T69 WeakPolarHBondContact OD2-CG2 3.48Å; D43-T69 PolarHBondContact OD2-OG1 2.77Å; T69-M130 PolarHBondContact O-N 3.05Å; T69-L132 HydrophobicContact CG2-CD1 4.41Å; T69-G143 VanDerWaalsContact OG1-CA 3.31Å; T69-G143 WeakPolarHBondContact OG1-CA 3.43Å |
| 70 | H | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -160.5 | 177.6 | 172.9 | 64.2 | -70.6 | 0 | 0 | 0 | 110.9 | N68 H72 H125 C129 D144 | N68-H70 PolarHBondContact O-N 2.71Å; H70-H72 AromaticContact CE1-CE1 3.07Å; H70-H72 PolarHBondContact CE1-CE1 2.73Å; H70-H72 AromaticContact CE1-CG 3.92Å; H70-H72 AromaticContact CE1-ND1 3.15Å; H70-H72 PolarHBondContact CE1-ND1 3.37Å; H70-H72 AromaticContact CE1-NE2 3.76Å; H70-H72 AromaticContact ND1-CE1 3.54Å; H70-H72 AromaticContact ND1-ND1 3.9Å; H70-H72 AromaticContact ND1-NE2 3.79Å; H70-H72 AromaticContact NE2-CE1 3.83Å; H70-H72 AromaticContact NE2-CG 4Å; H70-H72 AromaticContact NE2-ND1 3.43Å; H70-H72 PolarHBondContact NE2-ND1 3.1Å; H70-H72 PolarHBondContact O-CD2 3.01Å; H70-H72 PolarHBondContact O-N 3.01Å; H70-H72 VanDerWaalsContact O-N 3.09Å; H70-H125 AromaticContact CD2-CD2 3.68Å; H70-H125 AromaticContact CD2-NE2 3.83Å; H70-H125 AromaticContact NE2-CD2 3.55Å; H70-H125 AromaticContact NE2-NE2 3.45Å; H70-H125 PolarHBondContact NE2-NE2 3.16Å; H70-C129 HydrophobicContact CB-CB 4.45Å; H70-D144 VanDerWaalsContact CE1-CG 3.41Å; H70-D144 IonicContact CE1-OD1 3.69Å; H70-D144 PolarHBondContact CE1-OD1 3.14Å; H70-D144 IonicContact NE2-OD1 2.69Å |
| 71 | L | 97.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | trans | -78.1 | 89.6 | 172.8 | -172.2 | 78.4 | 0 | 0 | 0 | 109 | L92 Y95 Q157 I231 N234 L235 | L71-L92 HydrophobicContact CD1-CD2 4.06Å; L71-Y95 HydrophobicContact CB-CD1 4.11Å; L71-Y95 HydrophobicContact CB-CD2 4.13Å; L71-Y95 HydrophobicContact CB-CE1 3.71Å; L71-Y95 HydrophobicContact CB-CE2 3.74Å; L71-Y95 HydrophobicContact CB-CG 4.31Å; L71-Y95 HydrophobicContact CD2-CD1 4.14Å; L71-Y95 HydrophobicContact CD2-CE1 4.41Å; L71-Y95 HydrophobicContact CD2-CG 4.43Å; L71-Y95 PolarHBondContact N-OH 3.47Å; L71-Y95 VanDerWaalsContact N-OH 3.17Å; L71-Q157 PolarHBondContact O-NE2 3.31Å; L71-I231 HydrophobicContact CD2-CG2 4.06Å; L71-N234 VanDerWaalsContact CD1-C 3.44Å; L71-N234 HydrophobicContact CD1-CB 3.54Å; L71-N234 HydrophobicContact CG-CB 4.27Å; L71-L235 HydrophobicContact CD1-CD2 4.14Å; L71-L235 HydrophobicContact CD1-CG 4.24Å; L71-L235 HydrophobicContact CD2-CD2 3.78Å; L71-L235 HydrophobicContact CD2-CG 3.98Å | ||
| 72 | H | 98 | Very high | 98.3 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | trans | -57 | 143.1 | -179.4 | -69.2 | -84.2 | 0 | 0 | 0 | 112.5 | D43 H70 D74 H75 H185 N234 | D43-H72 VanDerWaalsContact CG-NE2 3.28Å; D43-H72 IonicContact OD1-CD2 3.63Å; D43-H72 IonicContact OD1-CE1 3.21Å; D43-H72 IonicContact OD1-NE2 3.9Å; D43-H72 PolarHBondContact OD1-NE2 3.28Å; D43-H72 IonicContact OD2-NE2 3.71Å; H70-H72 AromaticContact CE1-CE1 3.07Å; H70-H72 PolarHBondContact CE1-CE1 2.73Å; H70-H72 AromaticContact CE1-CG 3.92Å; H70-H72 AromaticContact CE1-ND1 3.15Å; H70-H72 PolarHBondContact CE1-ND1 3.37Å; H70-H72 AromaticContact CE1-NE2 3.76Å; H70-H72 AromaticContact ND1-CE1 3.54Å; H70-H72 AromaticContact ND1-ND1 3.9Å; H70-H72 AromaticContact ND1-NE2 3.79Å; H70-H72 AromaticContact NE2-CE1 3.83Å; H70-H72 AromaticContact NE2-CG 4Å; H70-H72 AromaticContact NE2-ND1 3.43Å; H70-H72 PolarHBondContact NE2-ND1 3.1Å; H70-H72 PolarHBondContact O-CD2 3.01Å; H70-H72 PolarHBondContact O-N 3.01Å; H70-H72 VanDerWaalsContact O-N 3.09Å; H72-D74 IonicContact ND1-OD1 2.9Å; H72-H75 AromaticContact CD2-CE1 3.79Å; H72-H75 AromaticContact CD2-NE2 3.81Å; H72-H75 AromaticContact CE1-CE1 3.67Å; H72-H75 AromaticContact CG-CE1 3.27Å; H72-H75 AromaticContact CG-NE2 3.65Å; H72-H75 AromaticContact ND1-CE1 3.21Å; H72-H75 PolarHBondContact ND1-CE1 3.34Å; H72-H75 AromaticContact ND1-ND1 4Å; H72-H185 AromaticContact CE1-NE2 3.92Å; H72-H185 AromaticContact ND1-NE2 3.78Å; H72-N234 PolarHBondContact O-ND2 3.33Å | ||
| 73 | A | 97.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 2% | 0.017 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -114.9 | -13.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F156 P224 Q226 M227 A230 I231 | A73-F156 HydrophobicContact CB-CE2 4.14Å; A73-F156 HydrophobicContact CB-CZ 4.18Å; A73-P224 HydrophobicContact CB-CB 4.5Å; A73-P224 HydrophobicContact CB-CG 4.25Å; A73-Q226 CarbonylContact O-C 3.6Å; A73-M227 HydrophobicContact CB-CB 4.41Å; A73-M227 HydrophobicContact CB-CG 4.02Å; A73-M227 WeakPolarHBondContact O-CA 3.45Å; A73-M227 PolarHBondContact O-N 3.5Å; A73-M227 VanDerWaalsContact O-N 3.09Å; A73-A230 WeakPolarHBondContact O-CB 3.3Å; A73-I231 HydrophobicContact CB-CD1 4.16Å; A73-I231 HydrophobicContact CB-CG1 4.04Å |
| 74 | D | 96.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 18 Ų | 18 | 17% | 0.171 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -94.6 | -18.5 | -175.3 | 66 | -56.7 | 0 | 0 | 0 | 112.4 | S24 H72 H185 P224 Q226 | S24-D74 WeakPolarHBondContact CB-OD2 3.36Å; H72-D74 IonicContact ND1-OD1 2.9Å; D74-H185 IonicContact OD2-CE1 3.4Å; D74-H185 PolarHBondContact OD2-CE1 2.87Å; D74-H185 IonicContact OD2-ND1 3.56Å; D74-H185 IonicContact OD2-NE2 3.57Å; D74-P224 HydrophobicContact CB-CB 4.27Å; D74-Q226 WeakPolarHBondContact O-CB 3.46Å; D74-Q226 VanDerWaalsContact O-CG 3.31Å; D74-Q226 WeakPolarHBondContact O-CG 3.36Å |
| 75 | H | 97.7 | Very high | 98 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.023 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -148.4 | 161.9 | 174.7 | 65.7 | -87.3 | 0 | 0 | 0 | 113 | T26 V45 H72 H185 A230 N234 | T26-H75 PolarHBondContact OG1-CE1 3.38Å; T26-H75 PolarHBondContact OG1-ND1 3.32Å; V45-H75 HydrophobicContact CG1-CB 3.98Å; H72-H75 AromaticContact CD2-CE1 3.79Å; H72-H75 AromaticContact CD2-NE2 3.81Å; H72-H75 AromaticContact CE1-CE1 3.67Å; H72-H75 AromaticContact CG-CE1 3.27Å; H72-H75 AromaticContact CG-NE2 3.65Å; H72-H75 AromaticContact ND1-CE1 3.21Å; H72-H75 PolarHBondContact ND1-CE1 3.34Å; H72-H75 AromaticContact ND1-ND1 4Å; H75-H185 AromaticContact ND1-CE1 3.96Å; H75-A230 WeakPolarHBondContact O-CB 3.17Å; H75-N234 PolarHBondContact O-ND2 3.46Å |
| 76 | V | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | trans | -87.7 | 131.5 | 171.6 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L46 R229 L233 N234 G238 | L46-V76 HydrophobicContact CB-CB 4.01Å; L46-V76 HydrophobicContact CB-CG1 4.15Å; L46-V76 VanDerWaalsContact CB-O 3.29Å; L46-V76 WeakPolarHBondContact CB-O 3.26Å; L46-V76 HydrophobicContact CD2-CB 4.02Å; L46-V76 HydrophobicContact CD2-CG1 3.84Å; L46-V76 PolarHBondContact N-O 3.15Å; V76-R229 HydrophobicContact CG2-CG 4.21Å; V76-L233 HydrophobicContact CG1-CB 4.05Å; V76-L233 HydrophobicContact CG1-CD1 4.16Å; V76-L233 HydrophobicContact CG2-CD1 3.87Å; V76-N234 WeakPolarHBondContact CA-OD1 3.3Å; V76-G238 VanDerWaalsContact CG1-CA 3.45Å | ||
| 77 | T | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 143.8 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | P44 N68 S79 N234 C237 | P44-T77 CarbonylContact O-C 3.47Å; P44-T77 VanDerWaalsContact O-CA 3.26Å; P44-T77 WeakPolarHBondContact O-CA 3.42Å; P44-T77 PolarHBondContact O-OG1 2.77Å; N68-T77 PolarHBondContact ND2-OG1 3.21Å; N68-T77 WeakPolarHBondContact OD1-CB 3.29Å; N68-T77 PolarHBondContact OD1-OG1 2.83Å; T77-S79 PolarHBondContact O-N 2.89Å; T77-S79 PolarHBondContact OG1-N 3.08Å; T77-S79 PolarHBondContact OG1-OG 2.96Å; T77-N234 WeakPolarHBondContact CG2-OD1 3.32Å; T77-N234 PolarHBondContact N-OD1 3.45Å; T77-C237 VanDerWaalsContact CG2-C 3.45Å |
| 78 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78.3 | -2.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | P44 V49 G80 L81 L82 | P44-G78 PolarHBondContact O-N 2.77Å; V49-G78 VanDerWaalsContact CG2-CA 3.46Å; G78-G80 PolarHBondContact O-N 2.65Å; G78-L81 PolarHBondContact O-N 2.98Å; G78-L82 WeakPolarHBondContact O-CG 3.47Å; G78-L82 PolarHBondContact O-N 3.09Å |
| 79 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -41.4 | -167.1 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | I66 N68 T77 L81 L82 K83 | I66-S79 WeakPolarHBondContact CG2-OG 3.16Å; N68-S79 PolarHBondContact ND2-OG 3.2Å; T77-S79 PolarHBondContact O-N 2.89Å; T77-S79 PolarHBondContact OG1-N 3.08Å; T77-S79 PolarHBondContact OG1-OG 2.96Å; S79-L81 PolarHBondContact O-N 2.7Å; S79-L82 PolarHBondContact O-N 3.17Å; S79-K83 PolarHBondContact O-N 3.5Å |
| 80 | G | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.1 | -28.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G78 K83 C237 | G78-G80 PolarHBondContact O-N 2.65Å; G80-K83 WeakPolarHBondContact O-CG 3.41Å; G80-C237 WeakPolarHBondContact CA-O 3.43Å; G80-C237 PolarHBondContact N-O 3.34Å |
| 81 | L | 98.2 | Very high | 97.9 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -81.5 | -36.5 | 170.7 | -66 | -173.5 | 0 | 0 | 0 | 111.8 | L46 V49 G78 S79 R84 I239 | L46-L81 HydrophobicContact CD1-CD1 3.6Å; L46-L81 HydrophobicContact CD1-CG 4.09Å; V49-L81 HydrophobicContact CG1-CB 3.92Å; V49-L81 HydrophobicContact CG1-CD1 4.43Å; V49-L81 HydrophobicContact CG2-CB 4.23Å; V49-L81 HydrophobicContact CG2-CD1 4.44Å; G78-L81 PolarHBondContact O-N 2.98Å; S79-L81 PolarHBondContact O-N 2.7Å; L81-R84 WeakPolarHBondContact O-CB 3.44Å; L81-R84 WeakPolarHBondContact O-CG 3.35Å; L81-R84 PolarHBondContact O-N 3.35Å; L81-I239 HydrophobicContact CD2-CG2 4.17Å; L81-I239 HydrophobicContact CG-CG2 4.42Å |
| 82 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -33.2 | -179.6 | -74.6 | 164.9 | 0 | 0 | 0 | 112.7 | L41 P44 V49 D52 K53 I66 G78 S79 R84 I85 | L41-L82 HydrophobicContact CD2-CD1 3.61Å; P44-L82 HydrophobicContact CB-CD1 3.55Å; P44-L82 HydrophobicContact CG-CD1 3.91Å; V49-L82 HydrophobicContact CG1-CD2 4.08Å; V49-L82 HydrophobicContact CG1-CG 4.12Å; V49-L82 HydrophobicContact CG2-CD1 4.4Å; V49-L82 HydrophobicContact CG2-CG 4.17Å; D52-L82 HydrophobicContact CB-CD2 4.31Å; K53-L82 HydrophobicContact CG-CD2 4.01Å; I66-L82 HydrophobicContact CD1-CB 3.52Å; I66-L82 HydrophobicContact CG1-CB 4.38Å; I66-L82 HydrophobicContact CG2-CD1 4.37Å; G78-L82 WeakPolarHBondContact O-CG 3.47Å; G78-L82 PolarHBondContact O-N 3.09Å; S79-L82 PolarHBondContact O-N 3.17Å; L82-R84 PolarHBondContact O-N 3.4Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.21Å; L82-I85 VanDerWaalsContact O-CG1 3.3Å; L82-I85 WeakPolarHBondContact O-CG1 3.42Å; L82-I85 PolarHBondContact O-N 3.19Å |
| 83 | K | 96.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 31.8 Ų | 31.8 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.1 | 176.2 | 75.6 | 175.1 | -63 | -179.9 | 0 | 114.4 | I66 S79 G80 I85 D101 | I66-K83 HydrophobicContact CD1-CB 4.2Å; S79-K83 PolarHBondContact O-N 3.5Å; G80-K83 WeakPolarHBondContact O-CG 3.41Å; K83-I85 PolarHBondContact O-N 3.43Å; K83-D101 WeakPolarHBondContact CE-OD2 3.43Å; K83-D101 IonicContact NZ-OD1 2.8Å; K83-D101 PolarHBondContact NZ-OD1 3.02Å; K83-D101 IonicContact NZ-OD2 2.63Å; K83-D101 PolarHBondContact NZ-OD2 3.08Å |
| 84 | R | 96.2 | Very high | 97.9 | Very high | 175 Ų | 175 | 37 Ų | 37 | 66% | 0.66 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.7 | 171 | -59.2 | -178.1 | -179.7 | -165.1 | -1.6 | 112.2 | L81 L82 | L81-R84 WeakPolarHBondContact O-CB 3.44Å; L81-R84 WeakPolarHBondContact O-CG 3.35Å; L81-R84 PolarHBondContact O-N 3.35Å; L82-R84 PolarHBondContact O-N 3.4Å |
| 85 | I | 97.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.3 | 128.2 | 168.7 | -61.1 | 169.1 | 0 | 0 | 0 | 108 | K53 I56 L63 L82 K83 G87 S88 | K53-I85 HydrophobicContact CG-CD1 4.07Å; I56-I85 HydrophobicContact CD1-CD1 4.29Å; L63-I85 HydrophobicContact CD2-CD1 3.87Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.21Å; L82-I85 VanDerWaalsContact O-CG1 3.3Å; L82-I85 WeakPolarHBondContact O-CG1 3.42Å; L82-I85 PolarHBondContact O-N 3.19Å; K83-I85 PolarHBondContact O-N 3.43Å; I85-G87 PolarHBondContact O-N 3.21Å; I85-S88 WeakPolarHBondContact CB-OG 3.18Å; I85-S88 VanDerWaalsContact O-CB 3.29Å; I85-S88 WeakPolarHBondContact O-CB 3.45Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 3.07Å |
| 86 | P | 97.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 43 Ų | 43 | 82% | 0.818 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 131.6 | -179.3 | -27.5 | 35.5 | 0 | 0 | 0 | 112.9 | S88 | P86-S88 VanDerWaalsContact C-N 3.26Å; P86-S88 PolarHBondContact O-N 3.47Å |
| 87 | G | 97.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 68% | 0.68 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -11.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L63 I85 | L63-G87 CarbonylContact O-C 3.59Å; I85-G87 PolarHBondContact O-N 3.21Å |
| 88 | S | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | trans | -79.3 | 144.3 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | L63 G64 I85 P86 | L63-S88 WeakPolarHBondContact CB-OG 3.46Å; L63-S88 WeakPolarHBondContact CG-OG 3.26Å; L63-S88 WeakPolarHBondContact O-CA 3.29Å; L63-S88 PolarHBondContact O-N 3.43Å; L63-S88 PolarHBondContact O-OG 3.21Å; G64-S88 CarbonylContact O-C 3.5Å; G64-S88 VanDerWaalsContact O-CA 3.23Å; G64-S88 WeakPolarHBondContact O-CA 3.26Å; I85-S88 WeakPolarHBondContact CB-OG 3.18Å; I85-S88 VanDerWaalsContact O-CB 3.29Å; I85-S88 WeakPolarHBondContact O-CB 3.45Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 3.07Å; P86-S88 VanDerWaalsContact C-N 3.26Å; P86-S88 PolarHBondContact O-N 3.47Å | ||
| 89 | Y | 98.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144.7 | 178.9 | 61.8 | -89 | 0 | 0 | 0 | 111.5 | G64 P65 I66 V91 K102 | G64-Y89 PolarHBondContact O-N 2.99Å; P65-Y89 HydrophobicContact CB-CE2 4.35Å; P65-Y89 HydrophobicContact CG-CE1 4.21Å; P65-Y89 HydrophobicContact CG-CE2 4.27Å; P65-Y89 WeakPolarHBondContact CG-OH 3.31Å; I66-Y89 PolarHBondContact N-O 3.19Å; Y89-V91 HydrophobicContact CD2-CG2 3.7Å; Y89-V91 HydrophobicContact CE2-CG2 3.58Å; Y89-K102 HydrophobicContact CD2-CB 4.23Å; Y89-K102 HydrophobicContact CE2-CB 4.25Å; Y89-K102 HydrophobicContact CE2-CD 3.99Å |
| 90 | S | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.1 | -179 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | I66 V100 D101 K102 C237 | I66-S90 CarbonylContact O-C 3.54Å; S90-V100 WeakPolarHBondContact O-CG2 3.48Å; S90-V100 WeakPolarHBondContact OG-CG2 3.42Å; S90-D101 WeakPolarHBondContact CB-OD2 3.38Å; S90-D101 PolarHBondContact N-OD2 3.24Å; S90-D101 WeakPolarHBondContact O-CB 3.43Å; S90-D101 PolarHBondContact O-N 2.77Å; S90-D101 PolarHBondContact OG-N 2.89Å; S90-D101 PolarHBondContact OG-OD2 3.07Å; S90-K102 PolarHBondContact O-N 2.76Å; S90-C237 VanDerWaalsContact CB-SG 3.59Å; S90-C237 PolarHBondContact OG-SG 2.97Å; S90-C237 VanDerWaalsContact OG-SG 3.4Å |
| 91 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131 | -179.2 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | P65 I66 I67 N68 Y89 K102 I104 I110 | P65-V91 HydrophobicContact CB-CG2 4.04Å; I66-V91 PolarHBondContact O-N 3.44Å; I67-V91 WeakPolarHBondContact CA-O 3.43Å; I67-V91 HydrophobicContact CB-CB 4.34Å; I67-V91 HydrophobicContact CG1-CB 4.01Å; I67-V91 HydrophobicContact CG1-CG1 4.44Å; I67-V91 HydrophobicContact CG1-CG2 4.3Å; I67-V91 HydrophobicContact CG2-CB 4.32Å; I67-V91 HydrophobicContact CG2-CG1 4.33Å; N68-V91 PolarHBondContact N-O 2.74Å; Y89-V91 HydrophobicContact CD2-CG2 3.7Å; Y89-V91 HydrophobicContact CE2-CG2 3.58Å; V91-K102 WeakPolarHBondContact CA-O 3.14Å; V91-K102 HydrophobicContact CG2-CB 4.28Å; V91-I104 HydrophobicContact CG1-CB 4.39Å; V91-I104 HydrophobicContact CG1-CD1 4.09Å; V91-I104 HydrophobicContact CG1-CG1 4.06Å; V91-I104 HydrophobicContact CG1-CG2 3.51Å; V91-I110 HydrophobicContact CG1-CD1 4.04Å |
| 92 | L | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 161.5 | 174.7 | -178.6 | 54.8 | 0 | 0 | 0 | 108.8 | N68 L71 Y95 V98 V100 K102 I103 I104 | N68-L92 HydrophobicContact CB-CD1 4.01Å; N68-L92 WeakPolarHBondContact O-CD1 3.43Å; L71-L92 HydrophobicContact CD1-CD2 4.06Å; L92-Y95 HydrophobicContact CD1-CE2 4.06Å; L92-Y95 HydrophobicContact CD2-CD2 4.11Å; L92-Y95 HydrophobicContact CD2-CE2 4.25Å; L92-Y95 HydrophobicContact CG-CD2 4.24Å; L92-Y95 HydrophobicContact CG-CE2 4.17Å; L92-V98 HydrophobicContact CD2-CG2 3.88Å; L92-V100 HydrophobicContact CB-CG1 4.43Å; L92-V100 HydrophobicContact CB-CG2 4.07Å; L92-K102 PolarHBondContact N-O 3.36Å; L92-I103 CarbonylContact O-C 3.51Å; L92-I103 VanDerWaalsContact O-CA 3.26Å; L92-I103 WeakPolarHBondContact O-CA 3.5Å; L92-I104 PolarHBondContact O-N 2.89Å |
| 93 | S | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 175 | 165.9 | 59 | 0 | 0 | 0 | 0 | 111.6 | Y95 I104 G128 | S93-Y95 WeakPolarHBondContact OG-CE2 3.31Å; S93-I104 WeakPolarHBondContact CA-O 3.22Å; S93-G128 WeakPolarHBondContact CB-O 3.39Å; S93-G128 PolarHBondContact OG-O 3.46Å |
| 94 | H | 96.4 | Very high | 97.1 | Very high | 111 Ų | 111 | 60.3 Ų | 60.3 | 51% | 0.514 | 33% | 0.328 | S | S | . | . | trans | -73.9 | 132.3 | 179.5 | -175.3 | 61.8 | 0 | 0 | 0 | 112.1 | I103 | H94-I103 HydrophobicContact CB-CG2 3.92Š| ||
| 95 | Y | 95.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | trans | -134.3 | 152.1 | 162.8 | -68.8 | -101 | 0 | 0 | 0 | 108.5 | L71 L92 S93 G97 V98 T126 G128 | L71-Y95 HydrophobicContact CB-CD1 4.11Å; L71-Y95 HydrophobicContact CB-CD2 4.13Å; L71-Y95 HydrophobicContact CB-CE1 3.71Å; L71-Y95 HydrophobicContact CB-CE2 3.74Å; L71-Y95 HydrophobicContact CB-CG 4.31Å; L71-Y95 HydrophobicContact CD2-CD1 4.14Å; L71-Y95 HydrophobicContact CD2-CE1 4.41Å; L71-Y95 HydrophobicContact CD2-CG 4.43Å; L71-Y95 PolarHBondContact N-OH 3.47Å; L71-Y95 VanDerWaalsContact N-OH 3.17Å; L92-Y95 HydrophobicContact CD1-CE2 4.06Å; L92-Y95 HydrophobicContact CD2-CD2 4.11Å; L92-Y95 HydrophobicContact CD2-CE2 4.25Å; L92-Y95 HydrophobicContact CG-CD2 4.24Å; L92-Y95 HydrophobicContact CG-CE2 4.17Å; S93-Y95 WeakPolarHBondContact OG-CE2 3.31Å; Y95-G97 PolarHBondContact O-N 2.83Å; Y95-V98 WeakPolarHBondContact O-CB 3.35Å; Y95-V98 WeakPolarHBondContact O-CG1 3.32Å; Y95-V98 PolarHBondContact O-N 3.5Å; Y95-V98 VanDerWaalsContact O-N 3.1Å; Y95-T126 PolarHBondContact OH-OG1 3.47Å; Y95-G128 VanDerWaalsContact CZ-CA 3.49Å; Y95-G128 VanDerWaalsContact OH-C 3.27Å; Y95-G128 WeakPolarHBondContact OH-CA 3.48Å; Y95-G128 PolarHBondContact OH-N 3.13Å; Y95-G128 PolarHBondContact OH-O 3.01Å | ||
| 96 | D | 93.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 61.8 Ų | 61.8 | 78% | 0.775 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 128.7 | 173.3 | -69.6 | -34.2 | 0 | 0 | 0 | 110.5 | V98 | D96-V98 VanDerWaalsContact C-N 3.25Å; D96-V98 PolarHBondContact O-N 2.94Å |
| 97 | G | 93.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y95 K99 | Y95-G97 PolarHBondContact O-N 2.83Å; G97-K99 PolarHBondContact O-N 2.96Å |
| 98 | V | 95.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | trans | -63.2 | 134.3 | 177.2 | 75.7 | 0 | 0 | 0 | 0 | 111.4 | L92 Y95 D96 V100 I103 L235 | L92-V98 HydrophobicContact CD2-CG2 3.88Å; Y95-V98 WeakPolarHBondContact O-CB 3.35Å; Y95-V98 WeakPolarHBondContact O-CG1 3.32Å; Y95-V98 PolarHBondContact O-N 3.5Å; Y95-V98 VanDerWaalsContact O-N 3.1Å; D96-V98 VanDerWaalsContact C-N 3.25Å; D96-V98 PolarHBondContact O-N 2.94Å; V98-V100 HydrophobicContact CG1-CG1 4.47Å; V98-V100 HydrophobicContact CG2-CB 4.23Å; V98-V100 HydrophobicContact CG2-CG1 4.17Å; V98-I103 HydrophobicContact CG1-CD1 4.16Å; V98-L235 CarbonylContact C-O 3.5Å; V98-L235 HydrophobicContact CB-CD2 4.38Å | ||
| 99 | K | 95.6 | Very high | 97.5 | Very high | 145 Ų | 145 | 59.9 Ų | 59.9 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | trans | -118.7 | 95.9 | 172.5 | -63 | -173.3 | -178 | -175.3 | 0 | 108.2 | G97 L235 C237 | G97-K99 PolarHBondContact O-N 2.96Å; K99-L235 PolarHBondContact N-O 2.61Å; K99-C237 PolarHBondContact O-SG 3.4Å | ||
| 100 | V | 96.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | trans | -137 | 151.2 | -178.2 | 71.2 | 0 | 0 | 0 | 0 | 109.2 | S90 L92 V98 I103 | S90-V100 WeakPolarHBondContact O-CG2 3.48Å; S90-V100 WeakPolarHBondContact OG-CG2 3.42Å; L92-V100 HydrophobicContact CB-CG1 4.43Å; L92-V100 HydrophobicContact CB-CG2 4.07Å; V98-V100 HydrophobicContact CG1-CG1 4.47Å; V98-V100 HydrophobicContact CG2-CB 4.23Å; V98-V100 HydrophobicContact CG2-CG1 4.17Å; V100-I103 HydrophobicContact CG1-CG1 3.6Å | ||
| 101 | D | 98.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -68.7 | -36 | -176.2 | -59.2 | -60.5 | 0 | 0 | 0 | 112.4 | K83 S90 | K83-D101 WeakPolarHBondContact CE-OD2 3.43Å; K83-D101 IonicContact NZ-OD1 2.8Å; K83-D101 PolarHBondContact NZ-OD1 3.02Å; K83-D101 IonicContact NZ-OD2 2.63Å; K83-D101 PolarHBondContact NZ-OD2 3.08Å; S90-D101 WeakPolarHBondContact CB-OD2 3.38Å; S90-D101 PolarHBondContact N-OD2 3.24Å; S90-D101 WeakPolarHBondContact O-CB 3.43Å; S90-D101 PolarHBondContact O-N 2.77Å; S90-D101 PolarHBondContact OG-N 2.89Å; S90-D101 PolarHBondContact OG-OD2 3.07Å |
| 102 | K | 98.5 | Very high | 97.5 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 123.3 | 177.3 | -172.9 | 176.8 | -178.1 | -179.1 | 0 | 111.4 | Y89 S90 V91 L92 | Y89-K102 HydrophobicContact CD2-CB 4.23Å; Y89-K102 HydrophobicContact CE2-CB 4.25Å; Y89-K102 HydrophobicContact CE2-CD 3.99Å; S90-K102 PolarHBondContact O-N 2.76Å; V91-K102 WeakPolarHBondContact CA-O 3.14Å; V91-K102 HydrophobicContact CG2-CB 4.28Å; L92-K102 PolarHBondContact N-O 3.36Å |
| 103 | I | 98.7 | Very high | 97.4 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | 170.1 | -63.4 | 174.9 | 0 | 0 | 0 | 108.9 | L92 H94 V98 V100 | L92-I103 CarbonylContact O-C 3.51Å; L92-I103 VanDerWaalsContact O-CA 3.26Å; L92-I103 WeakPolarHBondContact O-CA 3.5Å; H94-I103 HydrophobicContact CB-CG2 3.92Å; V98-I103 HydrophobicContact CG1-CD1 4.16Å; V100-I103 HydrophobicContact CG1-CG1 3.6Å |
| 104 | I | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151 | 174.8 | 55.2 | 168.7 | 0 | 0 | 0 | 112.4 | V91 L92 S93 D108 I110 C119 M130 L132 | V91-I104 HydrophobicContact CG1-CB 4.39Å; V91-I104 HydrophobicContact CG1-CD1 4.09Å; V91-I104 HydrophobicContact CG1-CG1 4.06Å; V91-I104 HydrophobicContact CG1-CG2 3.51Å; L92-I104 PolarHBondContact O-N 2.89Å; S93-I104 WeakPolarHBondContact CA-O 3.22Å; I104-D108 WeakPolarHBondContact CA-OD2 3.44Å; I104-I110 HydrophobicContact CD1-CD1 4.29Å; I104-I110 HydrophobicContact CG2-CD1 4.19Å; I104-I110 HydrophobicContact CG2-CG1 4.31Å; I104-C119 HydrophobicContact CD1-CB 4.42Å; I104-M130 HydrophobicContact CD1-CE 4.21Å; I104-M130 HydrophobicContact CD1-CG 4.22Å; I104-M130 HydrophobicContact CG1-CE 4.47Å; I104-L132 HydrophobicContact CD1-CD2 4.33Å |
| 105 | K | 98.6 | Very high | 97.5 | Very high | 143 Ų | 143 | 64.6 Ų | 64.6 | 62% | 0.622 | 35% | 0.351 | S | S | * | . | trans | -127.1 | 170.8 | 178.3 | -62.5 | 179.1 | -177 | 177.5 | 0 | 111 | G107 D108 | K105-G107 PolarHBondContact O-N 3.01Å; K105-D108 PolarHBondContact N-OD2 3.47Å; K105-D108 WeakPolarHBondContact O-CB 3.44Å; K105-D108 PolarHBondContact O-N 2.77Å | ||
| 106 | H | 98.7 | Very high | 97.7 | Very high | 102 Ų | 102 | 68 Ų | 68 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.9 | 171.8 | -175.8 | 90.6 | 0 | 0 | 0 | 110.8 | D108 C119 S121 Q171 | H106-D108 VanDerWaalsContact C-N 3.3Å; H106-C119 CarbonylContact C-O 3.48Å; H106-C119 WeakPolarHBondContact CA-O 3.21Å; H106-S121 PolarHBondContact ND1-N 2.84Å; H106-Q171 PolarHBondContact CE1-OE1 2.81Å; H106-Q171 VanDerWaalsContact CE1-OE1 3.3Å |
| 107 | G | 98.6 | Very high | 97.9 | Very high | 45 Ų | 45 | 61 Ų | 61 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K105 C119 | K105-G107 PolarHBondContact O-N 3.01Å; G107-C119 PolarHBondContact N-O 3.48Å |
| 108 | D | 98.8 | Very high | 98.2 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | trans | -66 | 156.7 | 173.3 | -75.3 | -14.8 | 0 | 0 | 0 | 111.1 | I104 K105 H106 C119 | I104-D108 WeakPolarHBondContact CA-OD2 3.44Å; K105-D108 PolarHBondContact N-OD2 3.47Å; K105-D108 WeakPolarHBondContact O-CB 3.44Å; K105-D108 PolarHBondContact O-N 2.77Å; H106-D108 VanDerWaalsContact C-N 3.3Å; D108-C119 HydrophobicContact CB-CB 4.17Å; D108-C119 VanDerWaalsContact O-CB 3.26Å; D108-C119 WeakPolarHBondContact O-CB 3.44Å; D108-C119 PolarHBondContact O-N 2.91Å; D108-C119 PolarHBondContact O-SG 2.89Å | ||
| 109 | V | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.3 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | K111 E116 L117 | V109-K111 HydrophobicContact CG1-CG 4.16Å; V109-E116 HydrophobicContact CG1-CB 3.69Å; V109-E116 HydrophobicContact CG1-CG 4.09Å; V109-L117 WeakPolarHBondContact CA-O 3.36Å |
| 110 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119 | 170.9 | -57.7 | 168.9 | 0 | 0 | 0 | 108.3 | V40 P65 I67 V91 I104 E116 L117 | V40-I110 HydrophobicContact CG1-CG2 4.36Å; P65-I110 HydrophobicContact CB-CG2 3.79Å; P65-I110 HydrophobicContact CG-CG2 3.43Å; P65-I110 VanDerWaalsContact CG-CG2 3.43Å; I67-I110 HydrophobicContact CD1-CD1 3.58Å; I67-I110 HydrophobicContact CD1-CG2 4.21Å; I67-I110 HydrophobicContact CG1-CD1 3.98Å; I67-I110 HydrophobicContact CG2-CD1 4.41Å; V91-I110 HydrophobicContact CG1-CD1 4.04Å; I104-I110 HydrophobicContact CD1-CD1 4.29Å; I104-I110 HydrophobicContact CG2-CD1 4.19Å; I104-I110 HydrophobicContact CG2-CG1 4.31Å; I110-E116 CarbonylContact O-C 3.57Å; I110-E116 WeakPolarHBondContact O-CA 3.15Å; I110-L117 HydrophobicContact CB-CB 4.31Å; I110-L117 PolarHBondContact N-O 2.99Å; I110-L117 PolarHBondContact O-N 3.25Å |
| 111 | K | 98.7 | Very high | 98.6 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.9 | -179.8 | -51.2 | -160.2 | -177.7 | -151.8 | 0 | 111.7 | V109 F115 E116 | V109-K111 HydrophobicContact CG1-CG 4.16Å; K111-F115 WeakPolarHBondContact CA-O 3.37Å; K111-E116 HydrophobicContact CD-CG 4.29Å; K111-E116 WeakPolarHBondContact CD-OE1 3.27Å; K111-E116 WeakPolarHBondContact CE-OE1 3.25Å; K111-E116 HydrophobicContact CG-CG 4.07Å; K111-E116 IonicContact NZ-OE1 2.67Å; K111-E116 PolarHBondContact NZ-OE1 2.64Å |
| 112 | F | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 104.5 | 168.2 | 60 | -74.3 | 0 | 0 | 0 | 108.4 | L14 L31 D38 V40 N114 F115 L117 L134 | L14-F112 HydrophobicContact CD1-CE2 3.99Å; L14-F112 HydrophobicContact CD1-CZ 4.33Å; L31-F112 HydrophobicContact CB-CE2 3.7Å; L31-F112 HydrophobicContact CB-CZ 3.85Å; L31-F112 HydrophobicContact CD2-CZ 4.16Å; D38-F112 HydrophobicContact CB-CB 4.28Å; V40-F112 HydrophobicContact CG1-CB 3.7Å; V40-F112 HydrophobicContact CG1-CD1 3.74Å; V40-F112 HydrophobicContact CG1-CG 3.77Å; V40-F112 HydrophobicContact CG2-CD1 4.25Å; V40-F112 HydrophobicContact CG2-CE1 4.35Å; V40-F112 HydrophobicContact CG2-CG 4.46Å; F112-N114 PolarHBondContact O-N 3.14Å; F112-F115 HydrophobicContact CD1-CB 4.07Å; F112-F115 HydrophobicContact CD2-CB 4Å; F112-F115 HydrophobicContact CD2-CD2 4.48Å; F112-F115 HydrophobicContact CE1-CB 3.54Å; F112-F115 HydrophobicContact CE2-CB 3.5Å; F112-F115 HydrophobicContact CE2-CD2 4.05Å; F112-F115 AromaticContact CE2-CG 3.95Å; F112-F115 HydrophobicContact CE2-CG 3.95Å; F112-F115 HydrophobicContact CG-CB 4.27Å; F112-F115 HydrophobicContact CZ-CB 3.26Å; F112-F115 HydrophobicContact CZ-CG 4Å; F112-F115 PolarHBondContact N-O 3.11Å; F112-F115 PolarHBondContact O-N 3.35Å; F112-F115 VanDerWaalsContact O-N 3.11Å; F112-L117 HydrophobicContact CE1-CD1 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.44Å; F112-L117 HydrophobicContact CE1-CG 3.93Å; F112-L134 HydrophobicContact CZ-CD1 4.41Å; F112-L134 HydrophobicContact CZ-CD2 4.4Å |
| 113 | G | 97.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -128.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D33 T36 D38 F115 | D33-G113 WeakPolarHBondContact OD2-CA 3.39Å; T36-G113 WeakPolarHBondContact OG1-CA 3.08Å; D38-G113 VanDerWaalsContact CB-N 3.3Å; D38-G113 PolarHBondContact OD2-N 2.69Å; G113-F115 VanDerWaalsContact C-N 3.28Å |
| 114 | N | 97.5 | Very high | 98.6 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 67% | 0.668 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.9 | 178.1 | -59.3 | -68.9 | 0 | 0 | 0 | 113.7 | D33 F112 | D33-N114 PolarHBondContact OD2-N 2.84Å; D33-N114 PolarHBondContact OD2-ND2 2.66Å; F112-N114 PolarHBondContact O-N 3.14Å |
| 115 | F | 98.6 | Very high | 98.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.2 | -179.5 | -62.3 | -85.3 | 0 | 0 | 0 | 111.6 | V5 P13 L14 D33 K111 F112 G113 L134 | V5-F115 HydrophobicContact CG1-CE1 4.35Å; V5-F115 HydrophobicContact CG2-CE1 4.41Å; P13-F115 HydrophobicContact CB-CZ 4.07Å; P13-F115 HydrophobicContact CG-CZ 4.37Å; P13-F115 VanDerWaalsContact O-CE2 3.3Å; P13-F115 WeakPolarHBondContact O-CE2 3.47Å; L14-F115 HydrophobicContact CB-CE1 3.93Å; L14-F115 HydrophobicContact CB-CE2 4.35Å; L14-F115 HydrophobicContact CB-CZ 3.68Å; L14-F115 HydrophobicContact CD1-CD1 4.19Å; L14-F115 HydrophobicContact CD1-CD2 4.28Å; L14-F115 HydrophobicContact CD1-CE1 4.13Å; L14-F115 HydrophobicContact CD1-CE2 4.23Å; L14-F115 HydrophobicContact CD1-CG 4.26Å; L14-F115 HydrophobicContact CD1-CZ 4.15Å; L14-F115 HydrophobicContact CG-CE1 4.44Å; L14-F115 HydrophobicContact CG-CZ 4.47Å; D33-F115 HydrophobicContact CB-CD2 3.83Å; D33-F115 HydrophobicContact CB-CE2 3.96Å; K111-F115 WeakPolarHBondContact CA-O 3.37Å; F112-F115 HydrophobicContact CD1-CB 4.07Å; F112-F115 HydrophobicContact CD2-CB 4Å; F112-F115 HydrophobicContact CD2-CD2 4.48Å; F112-F115 HydrophobicContact CE1-CB 3.54Å; F112-F115 HydrophobicContact CE2-CB 3.5Å; F112-F115 HydrophobicContact CE2-CD2 4.05Å; F112-F115 AromaticContact CE2-CG 3.95Å; F112-F115 HydrophobicContact CE2-CG 3.95Å; F112-F115 HydrophobicContact CG-CB 4.27Å; F112-F115 HydrophobicContact CZ-CB 3.26Å; F112-F115 HydrophobicContact CZ-CG 4Å; F112-F115 PolarHBondContact N-O 3.11Å; F112-F115 PolarHBondContact O-N 3.35Å; F112-F115 VanDerWaalsContact O-N 3.11Å; G113-F115 VanDerWaalsContact C-N 3.28Å; F115-L134 HydrophobicContact CB-CD1 4.07Å; F115-L134 HydrophobicContact CD1-CD1 4.11Å; F115-L134 HydrophobicContact CD1-CD2 4.49Å |
| 116 | E | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.9 | -174.8 | -61.3 | -168.8 | 165.3 | 0 | 0 | 109.7 | V109 I110 K111 L134 | V109-E116 HydrophobicContact CG1-CB 3.69Å; V109-E116 HydrophobicContact CG1-CG 4.09Å; I110-E116 CarbonylContact O-C 3.57Å; I110-E116 WeakPolarHBondContact O-CA 3.15Å; K111-E116 HydrophobicContact CD-CG 4.29Å; K111-E116 WeakPolarHBondContact CD-OE1 3.27Å; K111-E116 WeakPolarHBondContact CE-OE1 3.25Å; K111-E116 HydrophobicContact CG-CG 4.07Å; K111-E116 IonicContact NZ-OE1 2.67Å; K111-E116 PolarHBondContact NZ-OE1 2.64Å; E116-L134 WeakPolarHBondContact O-CD1 3.28Å |
| 117 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.6 | 168.5 | -64.1 | 173 | 0 | 0 | 0 | 109.2 | V40 I42 I67 V109 I110 F112 L132 V133 L134 F141 | V40-L117 HydrophobicContact CG2-CD1 4.06Å; I42-L117 HydrophobicContact CD1-CD1 4.27Å; I67-L117 HydrophobicContact CD1-CD1 3.86Å; V109-L117 WeakPolarHBondContact CA-O 3.36Å; I110-L117 HydrophobicContact CB-CB 4.31Å; I110-L117 PolarHBondContact N-O 2.99Å; I110-L117 PolarHBondContact O-N 3.25Å; F112-L117 HydrophobicContact CE1-CD1 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.44Å; F112-L117 HydrophobicContact CE1-CG 3.93Å; L117-L132 HydrophobicContact CB-CB 4.4Å; L117-L132 HydrophobicContact CD1-CB 4.36Å; L117-L132 HydrophobicContact CD1-CD1 4.32Å; L117-L132 HydrophobicContact CD2-CB 4.36Å; L117-V133 WeakPolarHBondContact CA-O 3.4Å; L117-L134 HydrophobicContact CD2-CB 3.84Å; L117-L134 HydrophobicContact CD2-CD1 4.44Å; L117-F141 HydrophobicContact CD2-CD2 4.38Å; L117-F141 HydrophobicContact CD2-CE2 4.29Å |
| 118 | E | 98.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.8 | 165.9 | -172 | -154.4 | 147.5 | 0 | 0 | 109 | R120 L132 V133 H135 | E118-R120 VanDerWaalsContact CD-NE 3.31Å; E118-R120 VanDerWaalsContact OE1-CG 3.24Å; E118-R120 WeakPolarHBondContact OE1-CG 3.17Å; E118-R120 IonicContact OE1-CZ 3.62Å; E118-R120 IonicContact OE1-NE 2.64Å; E118-R120 PolarHBondContact OE1-NE 2.77Å; E118-R120 IonicContact OE1-NH2 3.7Å; E118-R120 IonicContact OE2-CZ 2.89Å; E118-R120 IonicContact OE2-NE 3.73Å; E118-R120 PolarHBondContact OE2-NE 2.79Å; E118-R120 IonicContact OE2-NH2 3.07Å; E118-R120 PolarHBondContact OE2-NH2 2.65Å; E118-L132 CarbonylContact O-C 3.57Å; E118-L132 WeakPolarHBondContact O-CA 3.31Å; E118-V133 HydrophobicContact CB-CB 4.25Å; E118-V133 PolarHBondContact N-O 3.3Å; E118-V133 PolarHBondContact O-N 2.99Å; E118-H135 IonicContact OE2-CD2 3.69Å; E118-H135 IonicContact OE2-CE1 3.87Å; E118-H135 IonicContact OE2-NE2 2.85Å; E118-H135 PolarHBondContact OE2-NE2 3.4Å |
| 119 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 107.8 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | I104 H106 G107 D108 M130 L132 | I104-C119 HydrophobicContact CD1-CB 4.42Å; H106-C119 CarbonylContact C-O 3.48Å; H106-C119 WeakPolarHBondContact CA-O 3.21Å; G107-C119 PolarHBondContact N-O 3.48Å; D108-C119 HydrophobicContact CB-CB 4.17Å; D108-C119 VanDerWaalsContact O-CB 3.26Å; D108-C119 WeakPolarHBondContact O-CB 3.44Å; D108-C119 PolarHBondContact O-N 2.91Å; D108-C119 PolarHBondContact O-SG 2.89Å; C119-M130 HydrophobicContact CB-CE 3.57Å; C119-L132 HydrophobicContact CB-CD2 4.4Å |
| 120 | R | 98.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 29 Ų | 29 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117.5 | 173.9 | -65.3 | -172.1 | -178.7 | -172.9 | 1.2 | 110.5 | E118 T122 M130 T131 V133 Q171 S174 L175 | E118-R120 VanDerWaalsContact CD-NE 3.31Å; E118-R120 VanDerWaalsContact OE1-CG 3.24Å; E118-R120 WeakPolarHBondContact OE1-CG 3.17Å; E118-R120 IonicContact OE1-CZ 3.62Å; E118-R120 IonicContact OE1-NE 2.64Å; E118-R120 PolarHBondContact OE1-NE 2.77Å; E118-R120 IonicContact OE1-NH2 3.7Å; E118-R120 IonicContact OE2-CZ 2.89Å; E118-R120 IonicContact OE2-NE 3.73Å; E118-R120 PolarHBondContact OE2-NE 2.79Å; E118-R120 IonicContact OE2-NH2 3.07Å; E118-R120 PolarHBondContact OE2-NH2 2.65Å; R120-T122 HydrophobicContact CB-CG2 4.49Å; R120-T122 PolarHBondContact O-N 3.21Å; R120-M130 CarbonylContact O-C 3.47Å; R120-M130 WeakPolarHBondContact O-CA 3.49Å; R120-T131 PolarHBondContact N-O 2.77Å; R120-T131 PolarHBondContact O-N 2.89Å; R120-V133 HydrophobicContact CG-CG2 4.23Å; R120-Q171 HydrophobicContact CB-CB 4.4Å; R120-Q171 PolarHBondContact NH1-O 2.93Å; R120-S174 PolarHBondContact NH1-OG 2.83Å; R120-L175 VanDerWaalsContact NH1-CD2 3.27Å |
| 121 | S | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 29 Ų | 29 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125.2 | 169.4 | -173 | 0 | 0 | 0 | 0 | 110.6 | H106 P123 M130 | H106-S121 PolarHBondContact ND1-N 2.84Å; S121-P123 VanDerWaalsContact C-CD 3.47Å; S121-P123 WeakPolarHBondContact OG-CD 3.35Å; S121-M130 WeakPolarHBondContact CA-SD 3.42Å |
| 122 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -133.5 | 54.9 | -178.1 | 53 | 0 | 0 | 0 | 0 | 111.8 | R120 C129 T131 T145 Q171 I172 | R120-T122 HydrophobicContact CB-CG2 4.49Å; R120-T122 PolarHBondContact O-N 3.21Å; T122-C129 CarbonylContact C-O 3.48Å; T122-C129 PolarHBondContact N-O 3.35Å; T122-C129 WeakPolarHBondContact O-CB 3.33Å; T122-T131 WeakPolarHBondContact CG2-OG1 3.26Å; T122-T131 PolarHBondContact OG1-N 3.32Å; T122-T131 PolarHBondContact OG1-OG1 2.8Å; T122-T145 HydrophobicContact CG2-CG2 4.49Å; T122-T145 WeakPolarHBondContact O-CG2 3.34Å; T122-T145 PolarHBondContact O-OG1 2.88Å; T122-T145 PolarHBondContact OG1-OG1 3.32Å; T122-Q171 HydrophobicContact CG2-CB 3.5Å; T122-Q171 VanDerWaalsContact CG2-CB 3.5Å; T122-Q171 HydrophobicContact CG2-CG 3.88Å; T122-I172 HydrophobicContact CG2-CG1 4.23Å | ||
| 123 | P | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 22.7 Ų | 22.7 | 19% | 0.188 | 13% | 0.132 | C | C | . | . | trans | -62.2 | 153.7 | -176 | 29.2 | -36.6 | 0 | 0 | 0 | 111.8 | S121 T126 T163 S167 | S121-P123 VanDerWaalsContact C-CD 3.47Å; S121-P123 WeakPolarHBondContact OG-CD 3.35Å; P123-T126 WeakPolarHBondContact CA-O 3.41Å; P123-T163 HydrophobicContact CB-CG2 4.13Å; P123-T163 HydrophobicContact CG-CG2 3.84Å; P123-T163 CarbonylContact O-C 3.54Å; P123-T163 WeakPolarHBondContact O-CG2 3.32Å; P123-S167 VanDerWaalsContact CD-OG 3.29Å; P123-S167 WeakPolarHBondContact CD-OG 3.39Å; P123-S167 VanDerWaalsContact O-CB 3.26Å; P123-S167 WeakPolarHBondContact O-CB 3.43Å; P123-S167 PolarHBondContact O-OG 2.72Å | ||
| 124 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 151 | -48.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T126 T154 G159 S160 | G124-T126 PolarHBondContact N-O 3.1Å; G124-T154 WeakPolarHBondContact O-CB 3.27Å; G124-T154 WeakPolarHBondContact O-CG2 3.4Å; G124-G159 CarbonylContact O-C 3.6Å; G124-G159 WeakPolarHBondContact O-CA 3.48Å; G124-S160 PolarHBondContact O-N 2.77Å |
| 125 | H | 98.3 | Very high | 98.6 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -66.6 | -51.6 | 167.5 | 167.6 | 59.7 | 0 | 0 | 0 | 109.8 | H70 D144 R153 F156 G159 | H70-H125 AromaticContact CD2-CD2 3.68Å; H70-H125 AromaticContact CD2-NE2 3.83Å; H70-H125 AromaticContact NE2-CD2 3.55Å; H70-H125 AromaticContact NE2-NE2 3.45Å; H70-H125 PolarHBondContact NE2-NE2 3.16Å; H125-D144 HydrophobicContact CB-CB 4.25Å; H125-D144 WeakPolarHBondContact CD2-CB 3.46Å; H125-D144 IonicContact NE2-OD2 2.66Å; H125-R153 VanDerWaalsContact CA-O 3.3Å; H125-R153 WeakPolarHBondContact CA-O 3.35Å; H125-R153 PolarHBondContact ND1-O 3.29Å; H125-F156 AromaticContact CE1-CE2 3.78Å; H125-F156 AromaticContact CE1-CZ 3.53Å; H125-F156 AromaticContact NE2-CE2 3.97Å; H125-G159 WeakPolarHBondContact O-CA 3.17Å |
| 126 | T | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -128.1 | 167.6 | 162.9 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | Y95 P123 G124 G128 C129 F156 Q157 | Y95-T126 PolarHBondContact OH-OG1 3.47Å; P123-T126 WeakPolarHBondContact CA-O 3.41Å; G124-T126 PolarHBondContact N-O 3.1Å; T126-G128 PolarHBondContact O-N 2.88Å; T126-C129 PolarHBondContact N-SG 3.34Å; T126-C129 VanDerWaalsContact N-SG 3.39Å; T126-C129 PolarHBondContact OG1-SG 3.3Å; T126-F156 HydrophobicContact CG2-CD2 4.48Å; T126-F156 HydrophobicContact CG2-CE2 4.1Å; T126-Q157 WeakPolarHBondContact CA-O 3.43Å; T126-Q157 HydrophobicContact CG2-CB 3.83Å |
| 127 | S | 97 | Very high | 98.5 | Very high | 68 Ų | 68 | 17.3 Ų | 17.3 | 48% | 0.476 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.9 | 178.1 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | Q157 | S127-Q157 PolarHBondContact N-O 2.92Š|
| 128 | G | 97.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 5% | 0.052 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 19.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S93 Y95 T126 M130 | S93-G128 WeakPolarHBondContact CB-O 3.39Å; S93-G128 PolarHBondContact OG-O 3.46Å; Y95-G128 VanDerWaalsContact CZ-CA 3.49Å; Y95-G128 VanDerWaalsContact OH-C 3.27Å; Y95-G128 WeakPolarHBondContact OH-CA 3.48Å; Y95-G128 PolarHBondContact OH-N 3.13Å; Y95-G128 PolarHBondContact OH-O 3.01Å; T126-G128 PolarHBondContact O-N 2.88Å; G128-M130 PolarHBondContact O-N 3.11Å |
| 129 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | trans | -61.3 | 138.2 | 176.5 | -73.8 | 0 | 0 | 0 | 0 | 112.7 | H70 T122 T126 T145 | H70-C129 HydrophobicContact CB-CB 4.45Å; T122-C129 CarbonylContact C-O 3.48Å; T122-C129 PolarHBondContact N-O 3.35Å; T122-C129 WeakPolarHBondContact O-CB 3.33Å; T126-C129 PolarHBondContact N-SG 3.34Å; T126-C129 VanDerWaalsContact N-SG 3.39Å; T126-C129 PolarHBondContact OG1-SG 3.3Å; C129-T145 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 130 | M | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.6 | 176.1 | -61.6 | -64.9 | -67.3 | 0 | 0 | 110.3 | T69 I104 C119 R120 S121 G128 | T69-M130 PolarHBondContact O-N 3.05Å; I104-M130 HydrophobicContact CD1-CE 4.21Å; I104-M130 HydrophobicContact CD1-CG 4.22Å; I104-M130 HydrophobicContact CG1-CE 4.47Å; C119-M130 HydrophobicContact CB-CE 3.57Å; R120-M130 CarbonylContact O-C 3.47Å; R120-M130 WeakPolarHBondContact O-CA 3.49Å; S121-M130 WeakPolarHBondContact CA-SD 3.42Å; G128-M130 PolarHBondContact O-N 3.11Å |
| 131 | T | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 165.4 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | R120 T122 V133 A140 F141 T142 I172 | R120-T131 PolarHBondContact N-O 2.77Å; R120-T131 PolarHBondContact O-N 2.89Å; T122-T131 WeakPolarHBondContact CG2-OG1 3.26Å; T122-T131 PolarHBondContact OG1-N 3.32Å; T122-T131 PolarHBondContact OG1-OG1 2.8Å; T131-V133 HydrophobicContact CG2-CG2 4.25Å; T131-A140 HydrophobicContact CG2-CB 4.06Å; T131-F141 CarbonylContact C-O 3.56Å; T131-F141 VanDerWaalsContact CA-O 3.25Å; T131-F141 WeakPolarHBondContact CA-O 3.29Å; T131-F141 WeakPolarHBondContact CG2-O 3.35Å; T131-T142 HydrophobicContact CG2-CG2 4.13Å; T131-I172 HydrophobicContact CG2-CG1 4.3Å |
| 132 | L | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119 | -177.8 | -53.6 | 170.9 | 0 | 0 | 0 | 109.3 | I42 I67 T69 I104 L117 E118 C119 A140 F141 | I42-L132 HydrophobicContact CD1-CD1 3.91Å; I42-L132 HydrophobicContact CG1-CD1 4.15Å; I42-L132 HydrophobicContact CG2-CD1 4.14Å; I67-L132 HydrophobicContact CB-CD1 4.32Å; I67-L132 HydrophobicContact CD1-CD1 4.14Å; I67-L132 HydrophobicContact CG2-CD1 3.67Å; T69-L132 HydrophobicContact CG2-CD1 4.41Å; I104-L132 HydrophobicContact CD1-CD2 4.33Å; L117-L132 HydrophobicContact CB-CB 4.4Å; L117-L132 HydrophobicContact CD1-CB 4.36Å; L117-L132 HydrophobicContact CD1-CD1 4.32Å; L117-L132 HydrophobicContact CD2-CB 4.36Å; E118-L132 CarbonylContact O-C 3.57Å; E118-L132 WeakPolarHBondContact O-CA 3.31Å; C119-L132 HydrophobicContact CB-CD2 4.4Å; L132-A140 CarbonylContact O-C 3.53Å; L132-A140 VanDerWaalsContact O-CA 3.25Å; L132-A140 WeakPolarHBondContact O-CA 3.17Å; L132-F141 HydrophobicContact CB-CB 4.26Å; L132-F141 HydrophobicContact CB-CD2 4.32Å; L132-F141 PolarHBondContact N-O 2.82Å; L132-F141 PolarHBondContact O-N 2.84Å |
| 133 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124 | -173.2 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | L117 E118 R120 T131 A140 L175 Y179 | L117-V133 WeakPolarHBondContact CA-O 3.4Å; E118-V133 HydrophobicContact CB-CB 4.25Å; E118-V133 PolarHBondContact N-O 3.3Å; E118-V133 PolarHBondContact O-N 2.99Å; R120-V133 HydrophobicContact CG-CG2 4.23Å; T131-V133 HydrophobicContact CG2-CG2 4.25Å; V133-A140 HydrophobicContact CB-CB 4.5Å; V133-A140 HydrophobicContact CG1-CB 4.44Å; V133-A140 HydrophobicContact CG2-CB 4.09Å; V133-L175 HydrophobicContact CG1-CD1 4.36Å; V133-L175 HydrophobicContact CG1-CD2 3.85Å; V133-L175 HydrophobicContact CG2-CD1 4.18Å; V133-L175 HydrophobicContact CG2-CD2 4.4Å; V133-Y179 HydrophobicContact CG1-CD1 4.32Å; V133-Y179 HydrophobicContact CG1-CE1 3.9Å |
| 134 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 87.9 | 172.2 | -175.9 | 58.7 | 0 | 0 | 0 | 109.6 | L14 L31 F112 F115 E116 L117 S136 A137 G138 V139 | L14-L134 HydrophobicContact CD1-CD2 4.3Å; L14-L134 HydrophobicContact CD2-CD2 3.68Å; L31-L134 HydrophobicContact CD2-CD2 3.83Å; F112-L134 HydrophobicContact CZ-CD1 4.41Å; F112-L134 HydrophobicContact CZ-CD2 4.4Å; F115-L134 HydrophobicContact CB-CD1 4.07Å; F115-L134 HydrophobicContact CD1-CD1 4.11Å; F115-L134 HydrophobicContact CD1-CD2 4.49Å; E116-L134 WeakPolarHBondContact O-CD1 3.28Å; L117-L134 HydrophobicContact CD2-CB 3.84Å; L117-L134 HydrophobicContact CD2-CD1 4.44Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.34Å; L134-A137 HydrophobicContact CD2-CB 3.79Å; L134-A137 HydrophobicContact CG-CB 3.95Å; L134-A137 PolarHBondContact O-N 3.49Å; L134-G138 PolarHBondContact O-N 3.32Å; L134-V139 HydrophobicContact CB-CG2 3.85Å; L134-V139 HydrophobicContact CD2-CG2 4.34Å; L134-V139 PolarHBondContact N-O 3.3Å; L134-V139 PolarHBondContact O-N 2.78Å |
| 135 | H | 98.3 | Very high | 98.5 | Very high | 78 Ų | 78 | 11.1 Ų | 11.1 | 36% | 0.361 | 7% | 0.069 | S | C | . | . | G | 310 helix | trans | -60.3 | -38.3 | -175.2 | -78.1 | -61.1 | 0 | 0 | 0 | 114 | E118 A137 G138 Y179 | E118-H135 IonicContact OE2-CD2 3.69Å; E118-H135 IonicContact OE2-CE1 3.87Å; E118-H135 IonicContact OE2-NE2 2.85Å; E118-H135 PolarHBondContact OE2-NE2 3.4Å; H135-A137 PolarHBondContact O-N 2.86Å; H135-G138 PolarHBondContact O-N 3.24Å; H135-G138 VanDerWaalsContact O-N 3.1Å; H135-Y179 AromaticContact ND1-CE1 3.61Å; H135-Y179 AromaticContact ND1-CZ 3.65Å; H135-Y179 PolarHBondContact ND1-OH 2.55Å |
| 136 | S | 97.4 | Very high | 98.5 | Very high | 51 Ų | 51 | 10.9 Ų | 10.9 | 36% | 0.357 | 7% | 0.068 | S | C | . | . | G | 310 helix | trans | -62.8 | -25.9 | -179.2 | 56 | 0 | 0 | 0 | 0 | 113 | K4 V5 L134 | K4-S136 CarbonylContact C-O 3.54Å; K4-S136 WeakPolarHBondContact CA-O 3.25Å; V5-S136 PolarHBondContact N-O 2.85Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.34Å |
| 137 | A | 97.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 7% | 0.066 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -103.3 | -6.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V5 V7 L14 L134 H135 V139 | V5-A137 VanDerWaalsContact O-CA 3.28Å; V5-A137 WeakPolarHBondContact O-CA 3.36Å; V7-A137 HydrophobicContact CB-CB 4.49Å; L14-A137 HydrophobicContact CD2-CB 3.91Å; L134-A137 HydrophobicContact CD2-CB 3.79Å; L134-A137 HydrophobicContact CG-CB 3.95Å; L134-A137 PolarHBondContact O-N 3.49Å; H135-A137 PolarHBondContact O-N 2.86Å; A137-V139 HydrophobicContact CB-CG1 4.31Å; A137-V139 HydrophobicContact CB-CG2 4.29Å; A137-V139 WeakPolarHBondContact O-CG1 3.2Å |
| 138 | G | 98.2 | Very high | 98.6 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 42.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L134 H135 Y179 I180 | L134-G138 PolarHBondContact O-N 3.32Å; H135-G138 PolarHBondContact O-N 3.24Å; H135-G138 VanDerWaalsContact O-N 3.1Å; G138-Y179 WeakPolarHBondContact O-CA 3.48Å; G138-I180 PolarHBondContact O-N 2.92Å |
| 139 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 157.4 | 179.6 | -48 | 0 | 0 | 0 | 0 | 111.5 | V7 L134 A137 F141 I180 F182 | V7-V139 HydrophobicContact CB-CG1 3.79Å; V7-V139 HydrophobicContact CG1-CG1 3.99Å; V7-V139 HydrophobicContact CG2-CG1 3.95Å; V7-V139 HydrophobicContact CG2-CG2 4.46Å; L134-V139 HydrophobicContact CB-CG2 3.85Å; L134-V139 HydrophobicContact CD2-CG2 4.34Å; L134-V139 PolarHBondContact N-O 3.3Å; L134-V139 PolarHBondContact O-N 2.78Å; A137-V139 HydrophobicContact CB-CG1 4.31Å; A137-V139 HydrophobicContact CB-CG2 4.29Å; A137-V139 WeakPolarHBondContact O-CG1 3.2Å; V139-F141 HydrophobicContact CG2-CE2 4.15Å; V139-F141 HydrophobicContact CG2-CZ 4.26Å; V139-I180 CarbonylContact C-O 3.59Å; V139-I180 VanDerWaalsContact CA-O 3.23Å; V139-I180 WeakPolarHBondContact CA-O 3.4Å; V139-I180 HydrophobicContact CB-CB 4.38Å; V139-I180 HydrophobicContact CG1-CB 3.95Å; V139-I180 HydrophobicContact CG1-CD1 4.44Å; V139-F182 HydrophobicContact CB-CD2 4.19Å; V139-F182 HydrophobicContact CB-CE2 3.98Å; V139-F182 HydrophobicContact CG1-CE2 4.06Å; V139-F182 HydrophobicContact CG2-CE2 4.42Å |
| 140 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T131 L132 V133 L175 I180 L181 F182 | T131-A140 HydrophobicContact CG2-CB 4.06Å; L132-A140 CarbonylContact O-C 3.53Å; L132-A140 VanDerWaalsContact O-CA 3.25Å; L132-A140 WeakPolarHBondContact O-CA 3.17Å; V133-A140 HydrophobicContact CB-CB 4.5Å; V133-A140 HydrophobicContact CG1-CB 4.44Å; V133-A140 HydrophobicContact CG2-CB 4.09Å; A140-L175 HydrophobicContact CB-CD1 3.91Å; A140-I180 PolarHBondContact N-O 3.19Å; A140-L181 HydrophobicContact CB-CD2 3.94Å; A140-L181 WeakPolarHBondContact O-CA 3.48Å; A140-F182 PolarHBondContact O-N 3.49Å |
| 141 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 110.1 | 174.8 | -56.9 | -83.2 | 0 | 0 | 0 | 108.5 | F16 Y29 L31 I42 L117 T131 L132 V139 F182 | F16-F141 HydrophobicContact CD2-CZ 4.46Å; F16-F141 AromaticContact CE2-CE1 3.73Å; F16-F141 HydrophobicContact CE2-CE1 3.73Å; F16-F141 AromaticContact CE2-CZ 3.75Å; F16-F141 HydrophobicContact CE2-CZ 3.75Å; F16-F141 HydrophobicContact CZ-CE1 4.31Å; Y29-F141 HydrophobicContact CD1-CD1 4.07Å; Y29-F141 AromaticContact CD1-CE1 3.65Å; Y29-F141 HydrophobicContact CD1-CE1 3.65Å; Y29-F141 AromaticContact CD2-CD1 3.54Å; Y29-F141 HydrophobicContact CD2-CD1 3.54Å; Y29-F141 AromaticContact CD2-CE1 3.95Å; Y29-F141 HydrophobicContact CD2-CE1 3.95Å; Y29-F141 HydrophobicContact CE1-CD1 4.38Å; Y29-F141 HydrophobicContact CE1-CE1 4.18Å; Y29-F141 AromaticContact CE2-CD1 3.91Å; Y29-F141 HydrophobicContact CE2-CD1 3.91Å; Y29-F141 HydrophobicContact CE2-CE1 4.46Å; Y29-F141 AromaticContact CG-CD1 3.62Å; Y29-F141 HydrophobicContact CG-CD1 3.62Å; Y29-F141 AromaticContact CG-CE1 3.5Å; Y29-F141 HydrophobicContact CG-CE1 3.5Å; Y29-F141 VanDerWaalsContact CG-CE1 3.5Å; L31-F141 HydrophobicContact CD1-CE2 4.05Å; L31-F141 HydrophobicContact CD1-CZ 3.89Å; L31-F141 HydrophobicContact CD2-CE2 3.79Å; L31-F141 HydrophobicContact CD2-CZ 3.71Å; L31-F141 HydrophobicContact CG-CZ 4.19Å; I42-F141 HydrophobicContact CD1-CB 4.19Å; I42-F141 HydrophobicContact CD1-CD1 3.99Å; I42-F141 HydrophobicContact CD1-CD2 3.58Å; I42-F141 HydrophobicContact CD1-CE1 4.36Å; I42-F141 HydrophobicContact CD1-CE2 3.98Å; I42-F141 HydrophobicContact CD1-CG 3.61Å; I42-F141 HydrophobicContact CD1-CZ 4.37Å; L117-F141 HydrophobicContact CD2-CD2 4.38Å; L117-F141 HydrophobicContact CD2-CE2 4.29Å; T131-F141 CarbonylContact C-O 3.56Å; T131-F141 VanDerWaalsContact CA-O 3.25Å; T131-F141 WeakPolarHBondContact CA-O 3.29Å; T131-F141 WeakPolarHBondContact CG2-O 3.35Å; L132-F141 HydrophobicContact CB-CB 4.26Å; L132-F141 HydrophobicContact CB-CD2 4.32Å; L132-F141 PolarHBondContact N-O 2.82Å; L132-F141 PolarHBondContact O-N 2.84Å; V139-F141 HydrophobicContact CG2-CE2 4.15Å; V139-F141 HydrophobicContact CG2-CZ 4.26Å; F141-F182 CarbonylContact C-O 3.49Å; F141-F182 VanDerWaalsContact CA-O 3.26Å; F141-F182 WeakPolarHBondContact CA-O 3.23Å; F141-F182 HydrophobicContact CD1-CB 3.59Å; F141-F182 HydrophobicContact CD1-CD2 4.33Å; F141-F182 HydrophobicContact CD1-CG 4.29Å; F141-F182 HydrophobicContact CE1-CB 3.8Å; F141-F182 AromaticContact CE1-CD2 3.79Å; F141-F182 HydrophobicContact CE1-CD2 3.79Å; F141-F182 AromaticContact CE1-CG 3.99Å; F141-F182 HydrophobicContact CE1-CG 3.99Å; F141-F182 HydrophobicContact CG-CB 4.48Å; F141-F182 HydrophobicContact CZ-CD2 4.17Å |
| 142 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -4 | -164 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | T131 D144 T145 L146 I172 L181 F182 P183 | T131-T142 HydrophobicContact CG2-CG2 4.13Å; T142-D144 PolarHBondContact O-N 2.83Å; T142-T145 WeakPolarHBondContact O-CB 3.26Å; T142-T145 PolarHBondContact O-N 2.78Å; T142-L146 HydrophobicContact CG2-CB 4.37Å; T142-L146 PolarHBondContact OG1-O 3Å; T142-I172 HydrophobicContact CG2-CD1 3.92Å; T142-I172 HydrophobicContact CG2-CG2 4.19Å; T142-L181 HydrophobicContact CG2-CB 4.22Å; T142-L181 HydrophobicContact CG2-CD2 3.94Å; T142-L181 HydrophobicContact CG2-CG 4.46Å; T142-F182 PolarHBondContact N-O 2.81Å; T142-P183 WeakPolarHBondContact OG1-CA 3.38Å |
| 143 | G | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | -138.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T69 A184 | T69-G143 VanDerWaalsContact OG1-CA 3.31Å; T69-G143 WeakPolarHBondContact OG1-CA 3.43Å; G143-A184 PolarHBondContact O-N 3.4Å |
| 144 | D | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 16.1 Ų | 16.1 | 6% | 0.059 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.1 | 175.6 | -80.5 | 41.4 | 0 | 0 | 0 | 113.2 | H70 H125 T142 L146 G152 A184 H185 | H70-D144 VanDerWaalsContact CE1-CG 3.41Å; H70-D144 IonicContact CE1-OD1 3.69Å; H70-D144 PolarHBondContact CE1-OD1 3.14Å; H70-D144 IonicContact NE2-OD1 2.69Å; H125-D144 HydrophobicContact CB-CB 4.25Å; H125-D144 WeakPolarHBondContact CD2-CB 3.46Å; H125-D144 IonicContact NE2-OD2 2.66Å; T142-D144 PolarHBondContact O-N 2.83Å; D144-L146 VanDerWaalsContact C-N 3.33Å; D144-L146 PolarHBondContact O-N 3.12Å; D144-G152 WeakPolarHBondContact O-CA 3.3Å; D144-G152 PolarHBondContact O-N 2.78Å; D144-A184 VanDerWaalsContact OD1-CB 3.31Å; D144-A184 WeakPolarHBondContact OD1-CB 3.42Å; D144-H185 IonicContact OD1-CD2 3.71Å; D144-H185 PolarHBondContact OD1-CD2 2.83Å; D144-H185 IonicContact OD1-NE2 3.98Å; D144-H185 IonicContact OD2-CD2 2.83Å |
| 145 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -47.9 | 177.7 | -56 | 0 | 0 | 0 | 0 | 110.4 | T122 C129 T142 C151 L164 V168 I172 | T122-T145 HydrophobicContact CG2-CG2 4.49Å; T122-T145 WeakPolarHBondContact O-CG2 3.34Å; T122-T145 PolarHBondContact O-OG1 2.88Å; T122-T145 PolarHBondContact OG1-OG1 3.32Å; C129-T145 WeakPolarHBondContact CB-OG1 3.36Å; T142-T145 WeakPolarHBondContact O-CB 3.26Å; T142-T145 PolarHBondContact O-N 2.78Å; T145-C151 VanDerWaalsContact O-CB 3.31Å; T145-C151 WeakPolarHBondContact O-CB 3.27Å; T145-L164 HydrophobicContact CG2-CD1 3.63Å; T145-L164 WeakPolarHBondContact O-CD1 3.26Å; T145-V168 HydrophobicContact CG2-CG2 3.8Å; T145-I172 HydrophobicContact CG2-CD1 3.81Å |
| 146 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -127.2 | 129.4 | 173.6 | -178.3 | 152 | 0 | 0 | 0 | 108.9 | T142 D144 V168 I172 F173 L181 P183 E198 L205 | T142-L146 HydrophobicContact CG2-CB 4.37Å; T142-L146 PolarHBondContact OG1-O 3Å; D144-L146 VanDerWaalsContact C-N 3.33Å; D144-L146 PolarHBondContact O-N 3.12Å; L146-V168 HydrophobicContact CD1-CG1 4.14Å; L146-I172 HydrophobicContact CB-CD1 3.76Å; L146-I172 HydrophobicContact CD1-CG2 4.13Å; L146-F173 HydrophobicContact CD1-CE1 3.75Å; L146-F173 HydrophobicContact CD1-CZ 4.36Å; L146-L181 HydrophobicContact CD1-CD1 4.1Å; L146-L181 HydrophobicContact CD2-CD1 3.83Å; L146-P183 WeakPolarHBondContact O-CB 2.98Å; L146-E198 HydrophobicContact CD1-CB 4.07Å; L146-E198 HydrophobicContact CD1-CG 4.25Å; L146-E198 HydrophobicContact CD2-CG 4.02Å; L146-L205 HydrophobicContact CD1-CD1 4.22Å |
| 147 | L | 98.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 17.3 Ų | 17.3 | 11% | 0.11 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 163.5 | 172.4 | -56.3 | 178.3 | 0 | 0 | 0 | 108.9 | R149 G150 P183 H185 | L147-R149 PolarHBondContact O-N 3.17Å; L147-R149 VanDerWaalsContact O-N 3.15Å; L147-G150 PolarHBondContact N-O 2.92Å; L147-G150 CarbonylContact O-C 3.52Å; L147-G150 PolarHBondContact O-N 2.9Å; L147-P183 HydrophobicContact CD2-CB 3.8Å; L147-H185 HydrophobicContact CD2-CB 4.44Å |
| 148 | I | 98.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 10% | 0.097 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 119.6 | 178.2 | -63.3 | 158.4 | 0 | 0 | 0 | 109 | G150 P183 N190 T193 | I148-G150 PolarHBondContact O-N 3.33Å; I148-G150 VanDerWaalsContact O-N 3.13Å; I148-P183 HydrophobicContact CD1-CG 3.94Å; I148-P183 HydrophobicContact CG1-CG 3.99Å; I148-N190 HydrophobicContact CB-CB 4.41Å; I148-N190 HydrophobicContact CD1-CB 3.58Å; I148-N190 HydrophobicContact CG2-CB 3.99Å; I148-T193 HydrophobicContact CG1-CG2 3.97Å |
| 149 | R | 98.2 | Very high | 97.5 | Very high | 87 Ų | 87 | 20.8 Ų | 20.8 | 33% | 0.328 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 31.9 | -173.5 | -50.7 | -59.5 | -178.3 | -105.5 | -0.9 | 112.8 | L147 T193 E197 E198 C201 P203 | L147-R149 PolarHBondContact O-N 3.17Å; L147-R149 VanDerWaalsContact O-N 3.15Å; R149-T193 PolarHBondContact NH1-OG1 3.43Å; R149-E197 IonicContact NH2-OE1 2.72Å; R149-E198 IonicContact CZ-OE1 2.66Å; R149-E198 PolarHBondContact N-OE1 2.75Å; R149-E198 PolarHBondContact N-OE2 3.44Å; R149-E198 IonicContact NH1-OE1 3.22Å; R149-E198 PolarHBondContact NH1-OE1 2.8Å; R149-C201 WeakPolarHBondContact CD-O 3.31Å; R149-C201 VanDerWaalsContact NE-CB 3.33Å; R149-P203 WeakPolarHBondContact O-CD 3.45Å; R149-P203 VanDerWaalsContact O-CG 3.24Å; R149-P203 WeakPolarHBondContact O-CG 3.4Å |
| 150 | G | 97.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -163.6 | -165.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L147 I148 N202 | L147-G150 PolarHBondContact N-O 2.92Å; L147-G150 CarbonylContact O-C 3.52Å; L147-G150 PolarHBondContact O-N 2.9Å; I148-G150 PolarHBondContact O-N 3.33Å; I148-G150 VanDerWaalsContact O-N 3.13Å; G150-N202 PolarHBondContact N-ND2 2.74Å; G150-N202 PolarHBondContact O-ND2 3.1Å |
| 151 | C | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | trans | -159.6 | 160.3 | 171 | 52.6 | 0 | 0 | 0 | 0 | 107.9 | T145 L164 R204 L205 | T145-C151 VanDerWaalsContact O-CB 3.31Å; T145-C151 WeakPolarHBondContact O-CB 3.27Å; C151-L164 HydrophobicContact CB-CD2 4.04Å; C151-R204 PolarHBondContact O-NH1 3.01Å; C151-R204 VanDerWaalsContact O-NH1 3.09Å; C151-L205 HydrophobicContact CB-CD1 4.29Å | ||
| 152 | G | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | -60.2 | 148.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D144 L164 M216 | D144-G152 WeakPolarHBondContact O-CA 3.3Å; D144-G152 PolarHBondContact O-N 2.78Å; G152-L164 WeakPolarHBondContact O-CD2 3.41Å; G152-M216 WeakPolarHBondContact O-CE 3.37Å | ||
| 153 | R | 97.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 27 Ų | 27 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | trans | -60.9 | 164.8 | 171.3 | 61.3 | -165.5 | -71.7 | 165.3 | 4.8 | 111.5 | H125 D155 F156 L221 P222 | H125-R153 VanDerWaalsContact CA-O 3.3Å; H125-R153 WeakPolarHBondContact CA-O 3.35Å; H125-R153 PolarHBondContact ND1-O 3.29Å; R153-D155 WeakPolarHBondContact CB-OD1 3.45Å; R153-D155 WeakPolarHBondContact CG-OD1 3.44Å; R153-D155 IonicContact CZ-OD1 3.51Å; R153-D155 IonicContact CZ-OD2 3.8Å; R153-D155 IonicContact NE-OD1 3.61Å; R153-D155 PolarHBondContact NE-OD1 2.74Å; R153-D155 IonicContact NE-OD2 2.83Å; R153-D155 IonicContact NH2-OD1 3.53Å; R153-D155 PolarHBondContact NH2-OD1 2.88Å; R153-D155 IonicContact NH2-OD2 3.79Å; R153-D155 PolarHBondContact NH2-OD2 3.1Å; R153-F156 VanDerWaalsContact CD-CE1 3.41Å; R153-F156 HydrophobicContact CG-CD1 4.37Å; R153-F156 HydrophobicContact CG-CE1 3.67Å; R153-F156 HydrophobicContact CG-CZ 4.06Å; R153-L221 HydrophobicContact CB-CD1 4.28Å; R153-L221 PolarHBondContact NH2-O 2.91Å; R153-P222 PolarHBondContact NH1-O 2.81Å | ||
| 154 | T | 97.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | trans | -133.4 | 22.4 | -172.2 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | G124 G159 L164 M216 | G124-T154 WeakPolarHBondContact O-CB 3.27Å; G124-T154 WeakPolarHBondContact O-CG2 3.4Å; T154-G159 CarbonylContact O-C 3.17Å; T154-G159 WeakPolarHBondContact O-CA 3.47Å; T154-L164 HydrophobicContact CG2-CB 4.11Å; T154-L164 HydrophobicContact CG2-CD2 3.38Å; T154-L164 HydrophobicContact CG2-CG 4.38Å; T154-M216 HydrophobicContact CG2-CE 3.94Å | ||
| 155 | D | 95.4 | Very high | 97.5 | Very high | 91 Ų | 91 | 27.9 Ų | 27.9 | 49% | 0.487 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -103.9 | 8.9 | -168.4 | 61.2 | -41 | 0 | 0 | 0 | 113.8 | R153 | R153-D155 WeakPolarHBondContact CB-OD1 3.45Å; R153-D155 WeakPolarHBondContact CG-OD1 3.44Å; R153-D155 IonicContact CZ-OD1 3.51Å; R153-D155 IonicContact CZ-OD2 3.8Å; R153-D155 IonicContact NE-OD1 3.61Å; R153-D155 PolarHBondContact NE-OD1 2.74Å; R153-D155 IonicContact NE-OD2 2.83Å; R153-D155 IonicContact NH2-OD1 3.53Å; R153-D155 PolarHBondContact NH2-OD1 2.88Å; R153-D155 IonicContact NH2-OD2 3.79Å; R153-D155 PolarHBondContact NH2-OD2 3.1Å |
| 156 | F | 93.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -146.5 | 172.5 | 174.7 | 60.2 | -113.8 | 0 | 0 | 0 | 112.5 | A73 H125 T126 R153 G158 G159 P224 | A73-F156 HydrophobicContact CB-CE2 4.14Å; A73-F156 HydrophobicContact CB-CZ 4.18Å; H125-F156 AromaticContact CE1-CE2 3.78Å; H125-F156 AromaticContact CE1-CZ 3.53Å; H125-F156 AromaticContact NE2-CE2 3.97Å; T126-F156 HydrophobicContact CG2-CD2 4.48Å; T126-F156 HydrophobicContact CG2-CE2 4.1Å; R153-F156 VanDerWaalsContact CD-CE1 3.41Å; R153-F156 HydrophobicContact CG-CD1 4.37Å; R153-F156 HydrophobicContact CG-CE1 3.67Å; R153-F156 HydrophobicContact CG-CZ 4.06Å; F156-G158 VanDerWaalsContact C-N 3.29Å; F156-G158 PolarHBondContact O-N 2.87Å; F156-G158 VanDerWaalsContact O-N 3.14Å; F156-G159 WeakPolarHBondContact O-CA 3.18Å; F156-G159 PolarHBondContact O-N 3.15Å; F156-P224 HydrophobicContact CE1-CG 3.76Å; F156-P224 HydrophobicContact CZ-CG 4.11Å |
| 157 | Q | 92.9 | Very high | 97.5 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 45.5 | 174.9 | -61.6 | 170.2 | -97 | 0 | 0 | 114.5 | L71 T126 S127 G159 I231 | L71-Q157 PolarHBondContact O-NE2 3.31Å; T126-Q157 WeakPolarHBondContact CA-O 3.43Å; T126-Q157 HydrophobicContact CG2-CB 3.83Å; S127-Q157 PolarHBondContact N-O 2.92Å; Q157-G159 VanDerWaalsContact C-N 3.27Å; Q157-G159 PolarHBondContact O-N 2.72Å; Q157-I231 HydrophobicContact CG-CD1 3.81Å |
| 158 | G | 93.5 | Very high | 97.5 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 62% | 0.619 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 20.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | F156 | F156-G158 VanDerWaalsContact C-N 3.29Å; F156-G158 PolarHBondContact O-N 2.87Å; F156-G158 VanDerWaalsContact O-N 3.14Å |
| 159 | G | 97.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | trans | -60.5 | 149.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | G124 H125 T154 F156 Q157 | G124-G159 CarbonylContact O-C 3.6Å; G124-G159 WeakPolarHBondContact O-CA 3.48Å; H125-G159 WeakPolarHBondContact O-CA 3.17Å; T154-G159 CarbonylContact O-C 3.17Å; T154-G159 WeakPolarHBondContact O-CA 3.47Å; F156-G159 WeakPolarHBondContact O-CA 3.18Å; F156-G159 PolarHBondContact O-N 3.15Å; Q157-G159 VanDerWaalsContact C-N 3.27Å; Q157-G159 PolarHBondContact O-N 2.72Å | ||
| 160 | S | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 33 Ų | 33 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | trans | -154.9 | 118.3 | 179.4 | 163.1 | 0 | 0 | 0 | 0 | 109.8 | G124 A162 T163 L164 | G124-S160 PolarHBondContact O-N 2.77Å; S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 2.78Å; S160-T163 VanDerWaalsContact CB-OG1 3.31Å; S160-T163 WeakPolarHBondContact CB-OG1 3.38Å; S160-T163 PolarHBondContact O-N 3.2Å; S160-T163 WeakPolarHBondContact OG-CB 3.25Å; S160-T163 PolarHBondContact OG-N 3.01Å; S160-T163 VanDerWaalsContact OG-N 3.13Å; S160-T163 PolarHBondContact OG-OG1 2.96Å; S160-L164 WeakPolarHBondContact O-CB 3.38Å; S160-L164 PolarHBondContact O-N 2.77Å | ||
| 161 | A | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T163 L164 Y165 F212 I213 M216 | A161-T163 VanDerWaalsContact C-N 3.35Å; A161-T163 PolarHBondContact O-N 3.08Å; A161-L164 PolarHBondContact O-N 2.82Å; A161-Y165 PolarHBondContact O-N 3.03Å; A161-F212 HydrophobicContact CB-CD1 4.44Å; A161-F212 HydrophobicContact CB-CE1 4.16Å; A161-F212 VanDerWaalsContact O-CE1 3.23Å; A161-F212 WeakPolarHBondContact O-CE1 3.16Å; A161-I213 HydrophobicContact CB-CB 4.43Å; A161-I213 HydrophobicContact CB-CG1 4.12Å; A161-M216 HydrophobicContact CB-CB 3.62Å; A161-M216 HydrophobicContact CB-CG 4.08Å |
| 162 | A | 98.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S160 D166 K209 I213 | S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 2.78Å; A162-D166 PolarHBondContact O-N 2.95Å; A162-K209 WeakPolarHBondContact O-CE 3.39Å; A162-I213 HydrophobicContact CB-CD1 3.76Å; A162-I213 HydrophobicContact CB-CG1 4.27Å |
| 163 | T | 98.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | P123 S160 A161 Y165 D166 S167 | P123-T163 HydrophobicContact CB-CG2 4.13Å; P123-T163 HydrophobicContact CG-CG2 3.84Å; P123-T163 CarbonylContact O-C 3.54Å; P123-T163 WeakPolarHBondContact O-CG2 3.32Å; S160-T163 VanDerWaalsContact CB-OG1 3.31Å; S160-T163 WeakPolarHBondContact CB-OG1 3.38Å; S160-T163 PolarHBondContact O-N 3.2Å; S160-T163 WeakPolarHBondContact OG-CB 3.25Å; S160-T163 PolarHBondContact OG-N 3.01Å; S160-T163 VanDerWaalsContact OG-N 3.13Å; S160-T163 PolarHBondContact OG-OG1 2.96Å; A161-T163 VanDerWaalsContact C-N 3.35Å; A161-T163 PolarHBondContact O-N 3.08Å; T163-Y165 VanDerWaalsContact C-N 3.35Å; T163-Y165 PolarHBondContact O-N 3.4Å; T163-D166 PolarHBondContact O-N 3.25Å; T163-S167 WeakPolarHBondContact O-CB 3.46Å; T163-S167 PolarHBondContact O-N 3.41Å; T163-S167 PolarHBondContact O-OG 3Å; T163-S167 VanDerWaalsContact O-OG 3.1Å |
| 164 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.1 | -177.4 | 55.9 | 0 | 0 | 0 | 111.6 | T145 C151 G152 T154 S160 A161 D166 S167 V168 F212 M216 | T145-L164 HydrophobicContact CG2-CD1 3.63Å; T145-L164 WeakPolarHBondContact O-CD1 3.26Å; C151-L164 HydrophobicContact CB-CD2 4.04Å; G152-L164 WeakPolarHBondContact O-CD2 3.41Å; T154-L164 HydrophobicContact CG2-CB 4.11Å; T154-L164 HydrophobicContact CG2-CD2 3.38Å; T154-L164 HydrophobicContact CG2-CG 4.38Å; S160-L164 WeakPolarHBondContact O-CB 3.38Å; S160-L164 PolarHBondContact O-N 2.77Å; A161-L164 PolarHBondContact O-N 2.82Å; L164-D166 PolarHBondContact O-N 3.35Å; L164-S167 PolarHBondContact O-N 2.81Å; L164-V168 HydrophobicContact CD1-CG2 4.23Å; L164-V168 WeakPolarHBondContact O-CG2 3.5Å; L164-V168 PolarHBondContact O-N 3.45Å; L164-F212 HydrophobicContact CB-CE1 4.32Å; L164-F212 HydrophobicContact CB-CZ 4.47Å; L164-F212 HydrophobicContact CD2-CE1 4.37Å; L164-F212 HydrophobicContact CD2-CZ 3.86Å; L164-F212 HydrophobicContact CG-CE1 4.41Å; L164-F212 HydrophobicContact CG-CZ 4.07Å; L164-M216 HydrophobicContact CD2-CE 4.22Å |
| 165 | Y | 98.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 36 Ų | 36 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 176.7 | -173.1 | -82.8 | 0 | 0 | 0 | 111.2 | A161 T163 S167 V168 Y169 L205 K207 K209 F212 | A161-Y165 PolarHBondContact O-N 3.03Å; T163-Y165 VanDerWaalsContact C-N 3.35Å; T163-Y165 PolarHBondContact O-N 3.4Å; Y165-S167 VanDerWaalsContact C-N 3.35Å; Y165-S167 PolarHBondContact O-N 3.39Å; Y165-V168 PolarHBondContact O-N 2.73Å; Y165-Y169 AromaticContact CD1-CD2 3.88Å; Y165-Y169 HydrophobicContact CD1-CD2 3.88Å; Y165-Y169 HydrophobicContact CD1-CE2 4.21Å; Y165-Y169 HydrophobicContact CD2-CD2 4.33Å; Y165-Y169 HydrophobicContact CD2-CE2 4.04Å; Y165-Y169 AromaticContact CE1-CD2 3.57Å; Y165-Y169 HydrophobicContact CE1-CD2 3.57Å; Y165-Y169 AromaticContact CE1-CE2 3.62Å; Y165-Y169 HydrophobicContact CE1-CE2 3.62Å; Y165-Y169 HydrophobicContact CE1-CG 4.14Å; Y165-Y169 HydrophobicContact CE2-CD2 4.1Å; Y165-Y169 AromaticContact CE2-CE2 3.46Å; Y165-Y169 HydrophobicContact CE2-CE2 3.46Å; Y165-Y169 VanDerWaalsContact CE2-CE2 3.46Å; Y165-Y169 HydrophobicContact CG-CD2 4.25Å; Y165-Y169 HydrophobicContact CG-CE2 4.39Å; Y165-Y169 AromaticContact CZ-CD2 3.72Å; Y165-Y169 AromaticContact CZ-CE2 3.22Å; Y165-Y169 AromaticContact CZ-CZ 3.66Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.46Å; Y165-Y169 PolarHBondContact O-N 3.24Å; Y165-Y169 WeakPolarHBondContact OH-CE2 3.19Å; Y165-Y169 PolarHBondContact OH-OH 2.9Å; Y165-L205 HydrophobicContact CD2-CD2 4.38Å; Y165-K207 PolarHBondContact OH-O 3.38Å; Y165-K209 HydrophobicContact CD1-CB 3.82Å; Y165-K209 HydrophobicContact CD1-CD 3.83Å; Y165-K209 HydrophobicContact CD1-CG 3.69Å; Y165-K209 HydrophobicContact CD2-CB 4.29Å; Y165-K209 HydrophobicContact CD2-CG 4.38Å; Y165-K209 HydrophobicContact CE1-CB 3.67Å; Y165-K209 HydrophobicContact CE1-CD 4.28Å; Y165-K209 HydrophobicContact CE1-CG 4.09Å; Y165-K209 HydrophobicContact CE2-CB 4.13Å; Y165-K209 HydrophobicContact CG-CB 4.13Å; Y165-K209 HydrophobicContact CG-CD 4.4Å; Y165-K209 HydrophobicContact CG-CG 3.85Å; Y165-F212 HydrophobicContact CD2-CB 3.71Å; Y165-F212 AromaticContact CD2-CD1 3.87Å; Y165-F212 HydrophobicContact CD2-CD1 3.87Å; Y165-F212 HydrophobicContact CD2-CD2 4.2Å; Y165-F212 AromaticContact CD2-CG 3.65Å; Y165-F212 HydrophobicContact CD2-CG 3.65Å; Y165-F212 HydrophobicContact CE2-CB 4.12Å; Y165-F212 HydrophobicContact CE2-CG 4.46Å; Y165-F212 HydrophobicContact CG-CD1 4.32Å |
| 166 | D | 98.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -39.8 | -179.3 | -65.7 | -24.3 | 0 | 0 | 0 | 112.2 | A162 T163 L164 Y169 S170 K209 | A162-D166 PolarHBondContact O-N 2.95Å; T163-D166 PolarHBondContact O-N 3.25Å; L164-D166 PolarHBondContact O-N 3.35Å; D166-Y169 PolarHBondContact O-N 3.02Å; D166-S170 VanDerWaalsContact O-CB 3.26Å; D166-S170 WeakPolarHBondContact O-CB 3.41Å; D166-S170 PolarHBondContact O-N 2.71Å; D166-S170 PolarHBondContact O-OG 2.79Å; D166-K209 WeakPolarHBondContact OD1-CE 3.29Å; D166-K209 IonicContact OD1-NZ 3.5Å; D166-K209 PolarHBondContact OD1-NZ 3.22Å; D166-K209 IonicContact OD2-NZ 3.55Å; D166-K209 PolarHBondContact OD2-NZ 3.33Å |
| 167 | S | 98.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.3 | -72.8 | 0 | 0 | 0 | 0 | 112 | P123 T163 L164 Y165 Y169 Q171 | P123-S167 VanDerWaalsContact CD-OG 3.29Å; P123-S167 WeakPolarHBondContact CD-OG 3.39Å; P123-S167 VanDerWaalsContact O-CB 3.26Å; P123-S167 WeakPolarHBondContact O-CB 3.43Å; P123-S167 PolarHBondContact O-OG 2.72Å; T163-S167 WeakPolarHBondContact O-CB 3.46Å; T163-S167 PolarHBondContact O-N 3.41Å; T163-S167 PolarHBondContact O-OG 3Å; T163-S167 VanDerWaalsContact O-OG 3.1Å; L164-S167 PolarHBondContact O-N 2.81Å; Y165-S167 VanDerWaalsContact C-N 3.35Å; Y165-S167 PolarHBondContact O-N 3.39Å; S167-Y169 PolarHBondContact O-N 2.86Å; S167-Q171 VanDerWaalsContact O-CB 3.22Å; S167-Q171 WeakPolarHBondContact O-CB 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.41Å; S167-Q171 PolarHBondContact O-N 3.2Å |
| 168 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -59.8 | -48.4 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | T145 L146 L164 Y165 I172 F173 L205 | T145-V168 HydrophobicContact CG2-CG2 3.8Å; L146-V168 HydrophobicContact CD1-CG1 4.14Å; L164-V168 HydrophobicContact CD1-CG2 4.23Å; L164-V168 WeakPolarHBondContact O-CG2 3.5Å; L164-V168 PolarHBondContact O-N 3.45Å; Y165-V168 PolarHBondContact O-N 2.73Å; V168-I172 HydrophobicContact CG2-CD1 4.43Å; V168-I172 WeakPolarHBondContact O-CA 3.27Å; V168-I172 PolarHBondContact O-N 3.33Å; V168-F173 HydrophobicContact CG1-CD1 4.02Å; V168-F173 HydrophobicContact CG1-CD2 4.03Å; V168-F173 HydrophobicContact CG1-CE1 3.92Å; V168-F173 HydrophobicContact CG1-CE2 3.92Å; V168-F173 HydrophobicContact CG1-CG 4.09Å; V168-F173 HydrophobicContact CG1-CZ 3.87Å; V168-F173 PolarHBondContact O-N 3.4Å; V168-L205 HydrophobicContact CB-CD1 4.47Å; V168-L205 HydrophobicContact CB-CD2 3.99Å; V168-L205 HydrophobicContact CG1-CD1 3.84Å; V168-L205 HydrophobicContact CG1-CD2 3.94Å; V168-L205 HydrophobicContact CG1-CG 4.42Å; V168-L205 HydrophobicContact CG2-CD1 4.15Å; V168-L205 HydrophobicContact CG2-CD2 4.06Å |
| 169 | Y | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 35% | 0.349 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -66.8 | -44.2 | -176.6 | -90.2 | -97.7 | 0 | 0 | 0 | 113.3 | Y165 D166 S167 F173 S174 L205 | Y165-Y169 AromaticContact CD1-CD2 3.88Å; Y165-Y169 HydrophobicContact CD1-CD2 3.88Å; Y165-Y169 HydrophobicContact CD1-CE2 4.21Å; Y165-Y169 HydrophobicContact CD2-CD2 4.33Å; Y165-Y169 HydrophobicContact CD2-CE2 4.04Å; Y165-Y169 AromaticContact CE1-CD2 3.57Å; Y165-Y169 HydrophobicContact CE1-CD2 3.57Å; Y165-Y169 AromaticContact CE1-CE2 3.62Å; Y165-Y169 HydrophobicContact CE1-CE2 3.62Å; Y165-Y169 HydrophobicContact CE1-CG 4.14Å; Y165-Y169 HydrophobicContact CE2-CD2 4.1Å; Y165-Y169 AromaticContact CE2-CE2 3.46Å; Y165-Y169 HydrophobicContact CE2-CE2 3.46Å; Y165-Y169 VanDerWaalsContact CE2-CE2 3.46Å; Y165-Y169 HydrophobicContact CG-CD2 4.25Å; Y165-Y169 HydrophobicContact CG-CE2 4.39Å; Y165-Y169 AromaticContact CZ-CD2 3.72Å; Y165-Y169 AromaticContact CZ-CE2 3.22Å; Y165-Y169 AromaticContact CZ-CZ 3.66Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.46Å; Y165-Y169 PolarHBondContact O-N 3.24Å; Y165-Y169 WeakPolarHBondContact OH-CE2 3.19Å; Y165-Y169 PolarHBondContact OH-OH 2.9Å; D166-Y169 PolarHBondContact O-N 3.02Å; S167-Y169 PolarHBondContact O-N 2.86Å; Y169-F173 HydrophobicContact CD1-CD2 4.14Å; Y169-F173 HydrophobicContact CD2-CD2 4.17Å; Y169-F173 HydrophobicContact CD2-CE2 4.47Å; Y169-F173 HydrophobicContact CE1-CD2 4.13Å; Y169-F173 HydrophobicContact CE2-CD2 4.15Å; Y169-F173 HydrophobicContact CE2-CE2 4.1Å; Y169-F173 HydrophobicContact CG-CD2 4.19Å; Y169-S174 PolarHBondContact O-N 3.26Å; Y169-L205 PolarHBondContact OH-O 3.48Å |
| 170 | S | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 43% | 0.427 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -79.2 | -27.9 | -176 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | D166 S174 | D166-S170 VanDerWaalsContact O-CB 3.26Å; D166-S170 WeakPolarHBondContact O-CB 3.41Å; D166-S170 PolarHBondContact O-N 2.71Å; D166-S170 PolarHBondContact O-OG 2.79Å; S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-OG 3.22Å |
| 171 | Q | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -113.8 | -41.1 | -170.8 | -53.6 | -52.9 | -44.3 | 0 | 0 | 114.6 | H106 R120 T122 S167 S174 | H106-Q171 PolarHBondContact CE1-OE1 2.81Å; H106-Q171 VanDerWaalsContact CE1-OE1 3.3Å; R120-Q171 HydrophobicContact CB-CB 4.4Å; R120-Q171 PolarHBondContact NH1-O 2.93Å; T122-Q171 HydrophobicContact CG2-CB 3.5Å; T122-Q171 VanDerWaalsContact CG2-CB 3.5Å; T122-Q171 HydrophobicContact CG2-CG 3.88Å; S167-Q171 VanDerWaalsContact O-CB 3.22Å; S167-Q171 WeakPolarHBondContact O-CB 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.41Å; S167-Q171 PolarHBondContact O-N 3.2Å; Q171-S174 PolarHBondContact O-OG 3.2Å |
| 172 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -93.5 | -51.3 | -176.3 | -55.7 | 178.4 | 0 | 0 | 0 | 109.7 | T122 T131 T142 T145 L146 V168 S174 L175 L181 | T122-I172 HydrophobicContact CG2-CG1 4.23Å; T131-I172 HydrophobicContact CG2-CG1 4.3Å; T142-I172 HydrophobicContact CG2-CD1 3.92Å; T142-I172 HydrophobicContact CG2-CG2 4.19Å; T145-I172 HydrophobicContact CG2-CD1 3.81Å; L146-I172 HydrophobicContact CB-CD1 3.76Å; L146-I172 HydrophobicContact CD1-CG2 4.13Å; V168-I172 HydrophobicContact CG2-CD1 4.43Å; V168-I172 WeakPolarHBondContact O-CA 3.27Å; V168-I172 PolarHBondContact O-N 3.33Å; I172-S174 PolarHBondContact O-N 2.84Å; I172-L175 VanDerWaalsContact O-CB 3.27Å; I172-L175 WeakPolarHBondContact O-CB 3.24Å; I172-L175 PolarHBondContact O-N 3.39Å; I172-L175 VanDerWaalsContact O-N 3.1Å; I172-L181 HydrophobicContact CG2-CD1 3.85Å; I172-L181 HydrophobicContact CG2-CD2 3.99Å |
| 173 | F | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.3 | 178.2 | -72.5 | -3.6 | 0 | 0 | 0 | 113.7 | L146 V168 Y169 V195 E198 K199 L205 | L146-F173 HydrophobicContact CD1-CE1 3.75Å; L146-F173 HydrophobicContact CD1-CZ 4.36Å; V168-F173 HydrophobicContact CG1-CD1 4.02Å; V168-F173 HydrophobicContact CG1-CD2 4.03Å; V168-F173 HydrophobicContact CG1-CE1 3.92Å; V168-F173 HydrophobicContact CG1-CE2 3.92Å; V168-F173 HydrophobicContact CG1-CG 4.09Å; V168-F173 HydrophobicContact CG1-CZ 3.87Å; V168-F173 PolarHBondContact O-N 3.4Å; Y169-F173 HydrophobicContact CD1-CD2 4.14Å; Y169-F173 HydrophobicContact CD2-CD2 4.17Å; Y169-F173 HydrophobicContact CD2-CE2 4.47Å; Y169-F173 HydrophobicContact CE1-CD2 4.13Å; Y169-F173 HydrophobicContact CE2-CD2 4.15Å; Y169-F173 HydrophobicContact CE2-CE2 4.1Å; Y169-F173 HydrophobicContact CG-CD2 4.19Å; F173-V195 HydrophobicContact CD1-CG1 4.27Å; F173-E198 HydrophobicContact CE1-CB 3.79Å; F173-E198 HydrophobicContact CZ-CB 4.13Å; F173-K199 HydrophobicContact CB-CG 4.33Å; F173-K199 HydrophobicContact CD1-CG 3.88Å; F173-K199 HydrophobicContact CD2-CG 3.86Å; F173-K199 HydrophobicContact CE1-CG 4.07Å; F173-K199 HydrophobicContact CE2-CG 4.05Å; F173-K199 HydrophobicContact CG-CG 3.77Å; F173-K199 HydrophobicContact CZ-CG 4.15Å; F173-K199 WeakPolarHBondContact O-CE 3.41Å; F173-K199 PolarHBondContact O-NZ 2.9Å; F173-L205 HydrophobicContact CE2-CB 4.25Å; F173-L205 HydrophobicContact CZ-CB 4.2Å |
| 174 | S | 98.6 | Very high | 98.8 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.2 | 168.7 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | R120 Y169 S170 Q171 I172 | R120-S174 PolarHBondContact NH1-OG 2.83Å; Y169-S174 PolarHBondContact O-N 3.26Å; S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-OG 3.22Å; Q171-S174 PolarHBondContact O-OG 3.2Å; I172-S174 PolarHBondContact O-N 2.84Å |
| 175 | L | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -71.1 | 157.1 | 172 | -64.1 | 168.1 | 0 | 0 | 0 | 111.3 | R120 V133 A140 I172 Y179 V195 | R120-L175 VanDerWaalsContact NH1-CD2 3.27Å; V133-L175 HydrophobicContact CG1-CD1 4.36Å; V133-L175 HydrophobicContact CG1-CD2 3.85Å; V133-L175 HydrophobicContact CG2-CD1 4.18Å; V133-L175 HydrophobicContact CG2-CD2 4.4Å; A140-L175 HydrophobicContact CB-CD1 3.91Å; I172-L175 VanDerWaalsContact O-CB 3.27Å; I172-L175 WeakPolarHBondContact O-CB 3.24Å; I172-L175 PolarHBondContact O-N 3.39Å; I172-L175 VanDerWaalsContact O-N 3.1Å; L175-Y179 HydrophobicContact CB-CD1 4.14Å; L175-Y179 HydrophobicContact CB-CG 4.24Å; L175-Y179 HydrophobicContact CD1-CD1 4.11Å; L175-Y179 HydrophobicContact CD2-CD1 3.99Å; L175-Y179 HydrophobicContact CD2-CE1 3.93Å; L175-Y179 HydrophobicContact CG-CD1 4.32Å; L175-V195 HydrophobicContact CB-CG2 3.95Å |
| 176 | P | 98.6 | Very high | 98.7 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | trans | -57.5 | 145.3 | 174 | -25.9 | 35.7 | 0 | 0 | 0 | 112.5 | D178 Y179 V195 | P176-D178 WeakPolarHBondContact CB-OD1 3.48Å; P176-D178 PolarHBondContact O-N 3.17Å; P176-D178 VanDerWaalsContact O-N 3.08Å; P176-Y179 HydrophobicContact CB-CD2 3.69Å; P176-Y179 HydrophobicContact CB-CE2 3.85Å; P176-Y179 HydrophobicContact CG-CD2 3.8Å; P176-Y179 HydrophobicContact CG-CE2 3.49Å; P176-Y179 VanDerWaalsContact CG-CE2 3.49Å; P176-Y179 WeakPolarHBondContact O-CB 3.27Å; P176-Y179 PolarHBondContact O-N 3.03Å; P176-V195 WeakPolarHBondContact O-CB 3.49Å | ||
| 177 | N | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 36 Ų | 36 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.4 | -175 | -74 | -7 | 0 | 0 | 0 | 113.7 | Y179 G196 K199 | N177-Y179 VanDerWaalsContact C-N 3.28Å; N177-G196 PolarHBondContact O-N 2.9Å; N177-K199 WeakPolarHBondContact OD1-CD 3.5Å; N177-K199 PolarHBondContact OD1-NZ 2.82Å |
| 178 | D | 97.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 54% | 0.54 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.6 | 179.4 | 74.2 | -26.2 | 0 | 0 | 0 | 113.4 | K4 P176 | K4-D178 IonicContact NZ-OD1 2.8Å; K4-D178 PolarHBondContact NZ-OD1 2.99Å; K4-D178 IonicContact NZ-OD2 2.87Å; K4-D178 PolarHBondContact NZ-OD2 3.1Å; P176-D178 WeakPolarHBondContact CB-OD1 3.48Å; P176-D178 PolarHBondContact O-N 3.17Å; P176-D178 VanDerWaalsContact O-N 3.08Å |
| 179 | Y | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | trans | -73 | 130 | 173.5 | -87.5 | -133.9 | 0 | 0 | 0 | 110.5 | V133 H135 G138 L175 P176 N177 T194 V195 | V133-Y179 HydrophobicContact CG1-CD1 4.32Å; V133-Y179 HydrophobicContact CG1-CE1 3.9Å; H135-Y179 AromaticContact ND1-CE1 3.61Å; H135-Y179 AromaticContact ND1-CZ 3.65Å; H135-Y179 PolarHBondContact ND1-OH 2.55Å; G138-Y179 WeakPolarHBondContact O-CA 3.48Å; L175-Y179 HydrophobicContact CB-CD1 4.14Å; L175-Y179 HydrophobicContact CB-CG 4.24Å; L175-Y179 HydrophobicContact CD1-CD1 4.11Å; L175-Y179 HydrophobicContact CD2-CD1 3.99Å; L175-Y179 HydrophobicContact CD2-CE1 3.93Å; L175-Y179 HydrophobicContact CG-CD1 4.32Å; P176-Y179 HydrophobicContact CB-CD2 3.69Å; P176-Y179 HydrophobicContact CB-CE2 3.85Å; P176-Y179 HydrophobicContact CG-CD2 3.8Å; P176-Y179 HydrophobicContact CG-CE2 3.49Å; P176-Y179 VanDerWaalsContact CG-CE2 3.49Å; P176-Y179 WeakPolarHBondContact O-CB 3.27Å; P176-Y179 PolarHBondContact O-N 3.03Å; N177-Y179 VanDerWaalsContact C-N 3.28Å; Y179-T194 CarbonylContact O-C 3.58Å; Y179-T194 WeakPolarHBondContact O-CA 3.31Å; Y179-T194 WeakPolarHBondContact O-CB 3.28Å; Y179-V195 PolarHBondContact O-N 2.99Å | ||
| 180 | I | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133.3 | 176.2 | -62.4 | 169 | 0 | 0 | 0 | 109.2 | V7 G138 V139 A140 F182 M192 T193 T194 | V7-I180 HydrophobicContact CG1-CD1 3.95Å; G138-I180 PolarHBondContact O-N 2.92Å; V139-I180 CarbonylContact C-O 3.59Å; V139-I180 VanDerWaalsContact CA-O 3.23Å; V139-I180 WeakPolarHBondContact CA-O 3.4Å; V139-I180 HydrophobicContact CB-CB 4.38Å; V139-I180 HydrophobicContact CG1-CB 3.95Å; V139-I180 HydrophobicContact CG1-CD1 4.44Å; A140-I180 PolarHBondContact N-O 3.19Å; I180-F182 HydrophobicContact CB-CE2 4.35Å; I180-F182 HydrophobicContact CG2-CD2 4.03Å; I180-F182 HydrophobicContact CG2-CE1 4.14Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CZ 3.58Å; I180-M192 HydrophobicContact CB-CE 4.1Å; I180-M192 HydrophobicContact CD1-CE 4.12Å; I180-M192 HydrophobicContact CG1-CE 3.73Å; I180-M192 HydrophobicContact CG2-CB 3.93Å; I180-M192 HydrophobicContact CG2-CE 3.44Å; I180-M192 VanDerWaalsContact CG2-CE 3.44Å; I180-M192 HydrophobicContact CG2-CG 4.36Å; I180-T193 CarbonylContact C-O 3.56Å; I180-T193 WeakPolarHBondContact CA-O 3.25Å; I180-T194 HydrophobicContact CG1-CG2 4.4Å |
| 181 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.4 | 178.8 | -55.6 | -178.1 | 0 | 0 | 0 | 109.9 | A140 T142 L146 I172 M192 T193 V195 E198 | A140-L181 HydrophobicContact CB-CD2 3.94Å; A140-L181 WeakPolarHBondContact O-CA 3.48Å; T142-L181 HydrophobicContact CG2-CB 4.22Å; T142-L181 HydrophobicContact CG2-CD2 3.94Å; T142-L181 HydrophobicContact CG2-CG 4.46Å; L146-L181 HydrophobicContact CD1-CD1 4.1Å; L146-L181 HydrophobicContact CD2-CD1 3.83Å; I172-L181 HydrophobicContact CG2-CD1 3.85Å; I172-L181 HydrophobicContact CG2-CD2 3.99Å; L181-M192 WeakPolarHBondContact O-CA 3.46Å; L181-T193 HydrophobicContact CB-CG2 3.98Å; L181-T193 HydrophobicContact CD1-CG2 4.43Å; L181-T193 PolarHBondContact N-O 2.93Å; L181-T193 PolarHBondContact O-N 2.82Å; L181-T193 VanDerWaalsContact O-N 3.15Å; L181-V195 HydrophobicContact CD1-CG2 3.99Å; L181-V195 HydrophobicContact CD2-CG2 3.74Å; L181-V195 HydrophobicContact CG-CG2 4.02Å; L181-E198 HydrophobicContact CD1-CG 4.32Å |
| 182 | F | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 102.1 | 180 | -73.9 | -66.1 | 0 | 0 | 0 | 109.1 | V7 F16 Y29 V139 A140 F141 T142 I180 M192 | V7-F182 HydrophobicContact CG2-CE2 4.21Å; V7-F182 HydrophobicContact CG2-CZ 4.46Å; F16-F182 AromaticContact CE1-CE1 3.94Å; F16-F182 HydrophobicContact CE1-CE1 3.94Å; F16-F182 HydrophobicContact CE1-CE2 4.32Å; F16-F182 AromaticContact CE1-CZ 3.71Å; F16-F182 HydrophobicContact CE1-CZ 3.71Å; F16-F182 HydrophobicContact CE2-CE2 4.39Å; F16-F182 HydrophobicContact CZ-CD1 4.11Å; F16-F182 HydrophobicContact CZ-CD2 4.19Å; F16-F182 AromaticContact CZ-CE1 3.72Å; F16-F182 HydrophobicContact CZ-CE1 3.72Å; F16-F182 AromaticContact CZ-CE2 3.81Å; F16-F182 HydrophobicContact CZ-CE2 3.81Å; F16-F182 HydrophobicContact CZ-CG 4.33Å; F16-F182 AromaticContact CZ-CZ 3.57Å; F16-F182 HydrophobicContact CZ-CZ 3.57Å; Y29-F182 HydrophobicContact CE1-CB 3.78Å; Y29-F182 AromaticContact CE1-CD1 3.77Å; Y29-F182 HydrophobicContact CE1-CD1 3.77Å; Y29-F182 AromaticContact CE1-CG 3.94Å; Y29-F182 HydrophobicContact CE1-CG 3.94Å; Y29-F182 HydrophobicContact CE2-CB 4.21Å; Y29-F182 WeakPolarHBondContact OH-CB 3.4Å; V139-F182 HydrophobicContact CB-CD2 4.19Å; V139-F182 HydrophobicContact CB-CE2 3.98Å; V139-F182 HydrophobicContact CG1-CE2 4.06Å; V139-F182 HydrophobicContact CG2-CE2 4.42Å; A140-F182 PolarHBondContact O-N 3.49Å; F141-F182 CarbonylContact C-O 3.49Å; F141-F182 VanDerWaalsContact CA-O 3.26Å; F141-F182 WeakPolarHBondContact CA-O 3.23Å; F141-F182 HydrophobicContact CD1-CB 3.59Å; F141-F182 HydrophobicContact CD1-CD2 4.33Å; F141-F182 HydrophobicContact CD1-CG 4.29Å; F141-F182 HydrophobicContact CE1-CB 3.8Å; F141-F182 AromaticContact CE1-CD2 3.79Å; F141-F182 HydrophobicContact CE1-CD2 3.79Å; F141-F182 AromaticContact CE1-CG 3.99Å; F141-F182 HydrophobicContact CE1-CG 3.99Å; F141-F182 HydrophobicContact CG-CB 4.48Å; F141-F182 HydrophobicContact CZ-CD2 4.17Å; T142-F182 PolarHBondContact N-O 2.81Å; I180-F182 HydrophobicContact CB-CE2 4.35Å; I180-F182 HydrophobicContact CG2-CD2 4.03Å; I180-F182 HydrophobicContact CG2-CE1 4.14Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CZ 3.58Å; F182-M192 HydrophobicContact CD1-CB 3.93Å; F182-M192 HydrophobicContact CE1-CB 3.71Å; F182-M192 HydrophobicContact CE1-CG 4.4Å; F182-M192 HydrophobicContact CZ-CB 4.45Å |
| 183 | P | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 164 | -177.8 | 36.2 | -39.6 | 0 | 0 | 0 | 112.2 | Y29 T142 L146 L147 I148 H185 | Y29-P183 PolarHBondContact OH-O 2.84Å; T142-P183 WeakPolarHBondContact OG1-CA 3.38Å; L146-P183 WeakPolarHBondContact O-CB 2.98Å; L147-P183 HydrophobicContact CD2-CB 3.8Å; I148-P183 HydrophobicContact CD1-CG 3.94Å; I148-P183 HydrophobicContact CG1-CG 3.99Å; P183-H185 VanDerWaalsContact C-N 3.3Å; P183-H185 PolarHBondContact O-N 2.93Å |
| 184 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -72.7 | -22.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T26 Y27 G143 D144 | T26-A184 CarbonylContact C-O 3.33Å; T26-A184 WeakPolarHBondContact CA-O 3.49Å; Y27-A184 PolarHBondContact N-O 2.83Å; G143-A184 PolarHBondContact O-N 3.4Å; D144-A184 VanDerWaalsContact OD1-CB 3.31Å; D144-A184 WeakPolarHBondContact OD1-CB 3.42Å |
| 185 | H | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -140 | 151.2 | -179.6 | -58.3 | -92.6 | 0 | 0 | 0 | 113.3 | S24 S25 T26 H72 D74 H75 D144 L147 P183 Y187 | S24-H185 PolarHBondContact O-ND1 3.03Å; S24-H185 VanDerWaalsContact O-ND1 3.08Å; S25-H185 WeakPolarHBondContact O-CA 3.29Å; S25-H185 PolarHBondContact O-ND1 3.24Å; T26-H185 PolarHBondContact OG1-CE1 2.66Å; H72-H185 AromaticContact CE1-NE2 3.92Å; H72-H185 AromaticContact ND1-NE2 3.78Å; D74-H185 IonicContact OD2-CE1 3.4Å; D74-H185 PolarHBondContact OD2-CE1 2.87Å; D74-H185 IonicContact OD2-ND1 3.56Å; D74-H185 IonicContact OD2-NE2 3.57Å; H75-H185 AromaticContact ND1-CE1 3.96Å; D144-H185 IonicContact OD1-CD2 3.71Å; D144-H185 PolarHBondContact OD1-CD2 2.83Å; D144-H185 IonicContact OD1-NE2 3.98Å; D144-H185 IonicContact OD2-CD2 2.83Å; L147-H185 HydrophobicContact CD2-CB 4.44Å; P183-H185 VanDerWaalsContact C-N 3.3Å; P183-H185 PolarHBondContact O-N 2.93Å; H185-Y187 HydrophobicContact CB-CE2 4.15Å |
| 186 | D | 98 | Very high | 98.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | trans | -147.6 | 141.4 | 159.9 | -177.8 | -86 | 0 | 0 | 0 | 109.7 | S25 Y27 L188 G189 N190 | S25-D186 WeakPolarHBondContact CB-O 3.35Å; Y27-D186 HydrophobicContact CE2-CB 3.67Å; D186-L188 WeakPolarHBondContact OD1-CA 3.48Å; D186-L188 PolarHBondContact OD1-N 2.8Å; D186-G189 PolarHBondContact OD1-N 2.63Å; D186-N190 WeakPolarHBondContact CB-O 3.21Å; D186-N190 PolarHBondContact OD1-N 2.83Å; D186-N190 WeakPolarHBondContact OD2-CB 3.11Å; D186-N190 PolarHBondContact OD2-ND2 3.05Å | ||
| 187 | Y | 95.4 | Very high | 98.1 | Very high | 144 Ų | 144 | 45.4 Ų | 45.4 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -112.9 | 4.3 | -174.2 | -52.7 | -76 | 0 | 0 | 0 | 113.3 | H185 | H185-Y187 HydrophobicContact CB-CE2 4.15Š|
| 188 | L | 95.9 | Very high | 98.1 | Very high | 151 Ų | 151 | 41 Ų | 41 | 79% | 0.791 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -121.2 | -1.9 | -174.7 | -59.8 | 179.8 | 0 | 0 | 0 | 112.7 | D186 | D186-L188 WeakPolarHBondContact OD1-CA 3.48Å; D186-L188 PolarHBondContact OD1-N 2.8Å |
| 189 | G | 94.9 | Very high | 98.2 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 64% | 0.639 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 89.4 | 11.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D186 | D186-G189 PolarHBondContact OD1-N 2.63Š|
| 190 | N | 98.2 | Very high | 98.2 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | trans | -82.3 | 141.6 | 174.8 | -46.3 | -66.3 | 0 | 0 | 0 | 110.8 | Y27 I148 D186 | Y27-N190 PolarHBondContact OH-O 2.63Å; I148-N190 HydrophobicContact CB-CB 4.41Å; I148-N190 HydrophobicContact CD1-CB 3.58Å; I148-N190 HydrophobicContact CG2-CB 3.99Å; D186-N190 WeakPolarHBondContact CB-O 3.21Å; D186-N190 PolarHBondContact OD1-N 2.83Å; D186-N190 WeakPolarHBondContact OD2-CB 3.11Å; D186-N190 PolarHBondContact OD2-ND2 3.05Å | ||
| 191 | T | 98.1 | Very high | 98.2 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | trans | -105.3 | -33.3 | -173 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | Q18 | Q18-T191 PolarHBondContact NE2-O 3.02Š| ||
| 192 | M | 98.4 | Very high | 98.2 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | trans | -154.2 | 168.6 | -177.4 | 58.2 | 73.1 | 71.7 | 0 | 0 | 111.2 | I180 L181 F182 T194 | I180-M192 HydrophobicContact CB-CE 4.1Å; I180-M192 HydrophobicContact CD1-CE 4.12Å; I180-M192 HydrophobicContact CG1-CE 3.73Å; I180-M192 HydrophobicContact CG2-CB 3.93Å; I180-M192 HydrophobicContact CG2-CE 3.44Å; I180-M192 VanDerWaalsContact CG2-CE 3.44Å; I180-M192 HydrophobicContact CG2-CG 4.36Å; L181-M192 WeakPolarHBondContact O-CA 3.46Å; F182-M192 HydrophobicContact CD1-CB 3.93Å; F182-M192 HydrophobicContact CE1-CB 3.71Å; F182-M192 HydrophobicContact CE1-CG 4.4Å; F182-M192 HydrophobicContact CZ-CB 4.45Å; M192-T194 HydrophobicContact CE-CG2 4.22Å | ||
| 193 | T | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | -168.8 | 167.2 | -169.4 | 0 | 0 | 0 | 0 | 108.9 | I148 R149 I180 L181 E197 E198 | I148-T193 HydrophobicContact CG1-CG2 3.97Å; R149-T193 PolarHBondContact NH1-OG1 3.43Å; I180-T193 CarbonylContact C-O 3.56Å; I180-T193 WeakPolarHBondContact CA-O 3.25Å; L181-T193 HydrophobicContact CB-CG2 3.98Å; L181-T193 HydrophobicContact CD1-CG2 4.43Å; L181-T193 PolarHBondContact N-O 2.93Å; L181-T193 PolarHBondContact O-N 2.82Å; L181-T193 VanDerWaalsContact O-N 3.15Å; T193-E197 VanDerWaalsContact CA-OE2 3.25Å; T193-E197 WeakPolarHBondContact CA-OE2 3.29Å; T193-E197 WeakPolarHBondContact OG1-CB 3.38Å; T193-E197 PolarHBondContact OG1-OE2 2.78Å; T193-E198 HydrophobicContact CG2-CG 3.38Å; T193-E198 WeakPolarHBondContact CG2-OE1 3.39Å; T193-E198 PolarHBondContact OG1-OE1 2.77Å |
| 194 | T | 98.8 | Very high | 98 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 160.6 | 175.5 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | Y179 I180 M192 G196 E197 E198 | Y179-T194 CarbonylContact O-C 3.58Å; Y179-T194 WeakPolarHBondContact O-CA 3.31Å; Y179-T194 WeakPolarHBondContact O-CB 3.28Å; I180-T194 HydrophobicContact CG1-CG2 4.4Å; M192-T194 HydrophobicContact CE-CG2 4.22Å; T194-G196 PolarHBondContact O-N 3.28Å; T194-E197 PolarHBondContact N-OE2 2.82Å; T194-E197 PolarHBondContact O-N 3.2Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 WeakPolarHBondContact OG1-CG 3.42Å; T194-E197 PolarHBondContact OG1-N 3.32Å; T194-E197 VanDerWaalsContact OG1-N 3.16Å; T194-E197 PolarHBondContact OG1-OE2 3.44Å; T194-E198 PolarHBondContact O-N 3.48Å |
| 195 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.1 | -41.8 | 173.3 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | F173 L175 P176 Y179 L181 E198 K199 | F173-V195 HydrophobicContact CD1-CG1 4.27Å; L175-V195 HydrophobicContact CB-CG2 3.95Å; P176-V195 WeakPolarHBondContact O-CB 3.49Å; Y179-V195 PolarHBondContact O-N 2.99Å; L181-V195 HydrophobicContact CD1-CG2 3.99Å; L181-V195 HydrophobicContact CD2-CG2 3.74Å; L181-V195 HydrophobicContact CG-CG2 4.02Å; V195-E198 PolarHBondContact O-N 2.81Å; V195-K199 HydrophobicContact CG1-CD 4.06Å; V195-K199 HydrophobicContact CG1-CG 4.44Å; V195-K199 WeakPolarHBondContact O-CB 3.5Å; V195-K199 VanDerWaalsContact O-CG 3.27Å; V195-K199 WeakPolarHBondContact O-CG 3.4Å; V195-K199 PolarHBondContact O-N 3.37Å |
| 196 | G | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N177 T194 T200 | N177-G196 PolarHBondContact O-N 2.9Å; T194-G196 PolarHBondContact O-N 3.28Å; G196-T200 PolarHBondContact O-N 2.88Å; G196-T200 PolarHBondContact O-OG1 2.89Å |
| 197 | E | 98.9 | Very high | 98 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 175.2 | -73.7 | 175.6 | 125.2 | 0 | 0 | 111.2 | R149 T193 T194 K199 T200 C201 | R149-E197 IonicContact NH2-OE1 2.72Å; T193-E197 VanDerWaalsContact CA-OE2 3.25Å; T193-E197 WeakPolarHBondContact CA-OE2 3.29Å; T193-E197 WeakPolarHBondContact OG1-CB 3.38Å; T193-E197 PolarHBondContact OG1-OE2 2.78Å; T194-E197 PolarHBondContact N-OE2 2.82Å; T194-E197 PolarHBondContact O-N 3.2Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 WeakPolarHBondContact OG1-CG 3.42Å; T194-E197 PolarHBondContact OG1-N 3.32Å; T194-E197 VanDerWaalsContact OG1-N 3.16Å; T194-E197 PolarHBondContact OG1-OE2 3.44Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.01Å; E197-T200 PolarHBondContact O-N 2.93Å; E197-T200 PolarHBondContact O-OG1 3.25Å; E197-C201 WeakPolarHBondContact O-CA 3.35Å; E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.26Å; E197-C201 PolarHBondContact O-N 2.99Å |
| 198 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69 | -32.5 | -177.5 | -67.7 | -65 | 144.5 | 0 | 0 | 112.5 | L146 R149 F173 L181 T193 T194 V195 T200 N202 | L146-E198 HydrophobicContact CD1-CB 4.07Å; L146-E198 HydrophobicContact CD1-CG 4.25Å; L146-E198 HydrophobicContact CD2-CG 4.02Å; R149-E198 IonicContact CZ-OE1 2.66Å; R149-E198 PolarHBondContact N-OE1 2.75Å; R149-E198 PolarHBondContact N-OE2 3.44Å; R149-E198 IonicContact NH1-OE1 3.22Å; R149-E198 PolarHBondContact NH1-OE1 2.8Å; F173-E198 HydrophobicContact CE1-CB 3.79Å; F173-E198 HydrophobicContact CZ-CB 4.13Å; L181-E198 HydrophobicContact CD1-CG 4.32Å; T193-E198 HydrophobicContact CG2-CG 3.38Å; T193-E198 WeakPolarHBondContact CG2-OE1 3.39Å; T193-E198 PolarHBondContact OG1-OE1 2.77Å; T194-E198 PolarHBondContact O-N 3.48Å; V195-E198 PolarHBondContact O-N 2.81Å; E198-T200 PolarHBondContact O-N 2.85Å; E198-N202 WeakPolarHBondContact O-CB 3.47Å; E198-N202 PolarHBondContact O-N 2.86Å; E198-N202 VanDerWaalsContact OE2-CB 3.28Å; E198-N202 WeakPolarHBondContact OE2-CB 3.28Å; E198-N202 PolarHBondContact OE2-ND2 3.4Å |
| 199 | K | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -23 | 170.7 | -81.5 | 176.3 | 179.5 | 172.2 | 0 | 114.1 | F173 N177 V195 E197 T206 | F173-K199 HydrophobicContact CB-CG 4.33Å; F173-K199 HydrophobicContact CD1-CG 3.88Å; F173-K199 HydrophobicContact CD2-CG 3.86Å; F173-K199 HydrophobicContact CE1-CG 4.07Å; F173-K199 HydrophobicContact CE2-CG 4.05Å; F173-K199 HydrophobicContact CG-CG 3.77Å; F173-K199 HydrophobicContact CZ-CG 4.15Å; F173-K199 WeakPolarHBondContact O-CE 3.41Å; F173-K199 PolarHBondContact O-NZ 2.9Å; N177-K199 WeakPolarHBondContact OD1-CD 3.5Å; N177-K199 PolarHBondContact OD1-NZ 2.82Å; V195-K199 HydrophobicContact CG1-CD 4.06Å; V195-K199 HydrophobicContact CG1-CG 4.44Å; V195-K199 WeakPolarHBondContact O-CB 3.5Å; V195-K199 VanDerWaalsContact O-CG 3.27Å; V195-K199 WeakPolarHBondContact O-CG 3.4Å; V195-K199 PolarHBondContact O-N 3.37Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.01Å; K199-T206 WeakPolarHBondContact O-CG2 3.37Å |
| 200 | T | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 64% | 0.644 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -116.7 | -25.1 | -173.3 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | G196 E197 E198 | G196-T200 PolarHBondContact O-N 2.88Å; G196-T200 PolarHBondContact O-OG1 2.89Å; E197-T200 PolarHBondContact O-N 2.93Å; E197-T200 PolarHBondContact O-OG1 3.25Å; E198-T200 PolarHBondContact O-N 2.85Å |
| 201 | C | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 43% | 0.432 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -117.8 | -10.7 | -171.5 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | R149 E197 P203 | R149-C201 WeakPolarHBondContact CD-O 3.31Å; R149-C201 VanDerWaalsContact NE-CB 3.33Å; E197-C201 WeakPolarHBondContact O-CA 3.35Å; E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.26Å; E197-C201 PolarHBondContact O-N 2.99Å; C201-P203 WeakPolarHBondContact O-CD 3.24Å |
| 202 | N | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -69 | 117.9 | 179.6 | -167.6 | -65.1 | 0 | 0 | 0 | 110.7 | G150 E198 R204 L205 T206 | G150-N202 PolarHBondContact N-ND2 2.74Å; G150-N202 PolarHBondContact O-ND2 3.1Å; E198-N202 WeakPolarHBondContact O-CB 3.47Å; E198-N202 PolarHBondContact O-N 2.86Å; E198-N202 VanDerWaalsContact OE2-CB 3.28Å; E198-N202 WeakPolarHBondContact OE2-CB 3.28Å; E198-N202 PolarHBondContact OE2-ND2 3.4Å; N202-R204 PolarHBondContact O-N 3.07Å; N202-R204 VanDerWaalsContact O-N 3.11Å; N202-R204 PolarHBondContact OD1-N 3.39Å; N202-L205 HydrophobicContact CB-CB 3.96Å; N202-L205 PolarHBondContact OD1-N 3.2Å; N202-T206 VanDerWaalsContact O-CB 3.31Å; N202-T206 WeakPolarHBondContact O-CB 3.48Å; N202-T206 WeakPolarHBondContact O-CG2 3.44Å; N202-T206 PolarHBondContact O-N 2.89Å; N202-T206 VanDerWaalsContact O-N 3.16Å; N202-T206 PolarHBondContact O-OG1 3Å | ||
| 203 | P | 97.9 | Very high | 98.6 | Very high | 71 Ų | 71 | 49 Ų | 49 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.4 | -172.1 | 27.7 | -35.3 | 0 | 0 | 0 | 113.8 | R149 C201 | R149-P203 WeakPolarHBondContact O-CD 3.45Å; R149-P203 VanDerWaalsContact O-CG 3.24Å; R149-P203 WeakPolarHBondContact O-CG 3.4Å; C201-P203 WeakPolarHBondContact O-CD 3.24Å |
| 204 | R | 97.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 22% | 0.219 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -50.9 | 179.4 | -52.3 | -177.3 | -172.7 | 157.9 | 2 | 111.1 | C151 N202 T206 K207 F212 I215 | C151-R204 PolarHBondContact O-NH1 3.01Å; C151-R204 VanDerWaalsContact O-NH1 3.09Å; N202-R204 PolarHBondContact O-N 3.07Å; N202-R204 VanDerWaalsContact O-N 3.11Å; N202-R204 PolarHBondContact OD1-N 3.39Å; R204-T206 VanDerWaalsContact C-N 3.28Å; R204-T206 PolarHBondContact O-N 2.89Å; R204-K207 VanDerWaalsContact O-CB 3.29Å; R204-K207 WeakPolarHBondContact O-CB 3.36Å; R204-K207 WeakPolarHBondContact O-CG 3.3Å; R204-K207 PolarHBondContact O-N 3.1Å; R204-K207 VanDerWaalsContact O-N 3.15Å; R204-F212 HydrophobicContact CB-CD2 3.8Å; R204-F212 HydrophobicContact CB-CE2 3.84Å; R204-I215 HydrophobicContact CG-CG2 4.15Å |
| 205 | L | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.5 | -172.6 | -70.6 | 160.2 | 0 | 0 | 0 | 113.9 | L146 C151 Y165 V168 Y169 F173 N202 K207 F212 | L146-L205 HydrophobicContact CD1-CD1 4.22Å; C151-L205 HydrophobicContact CB-CD1 4.29Å; Y165-L205 HydrophobicContact CD2-CD2 4.38Å; V168-L205 HydrophobicContact CB-CD1 4.47Å; V168-L205 HydrophobicContact CB-CD2 3.99Å; V168-L205 HydrophobicContact CG1-CD1 3.84Å; V168-L205 HydrophobicContact CG1-CD2 3.94Å; V168-L205 HydrophobicContact CG1-CG 4.42Å; V168-L205 HydrophobicContact CG2-CD1 4.15Å; V168-L205 HydrophobicContact CG2-CD2 4.06Å; Y169-L205 PolarHBondContact OH-O 3.48Å; F173-L205 HydrophobicContact CE2-CB 4.25Å; F173-L205 HydrophobicContact CZ-CB 4.2Å; N202-L205 HydrophobicContact CB-CB 3.96Å; N202-L205 PolarHBondContact OD1-N 3.2Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-F212 HydrophobicContact CD2-CD2 4.05Å; L205-F212 HydrophobicContact CD2-CE2 3.58Å; L205-F212 HydrophobicContact CD2-CZ 4.06Å; L205-F212 HydrophobicContact CG-CD2 4.38Å; L205-F212 HydrophobicContact CG-CE2 3.88Å |
| 206 | T | 98.2 | Very high | 98.5 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.2 | 168.4 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | K199 N202 R204 | K199-T206 WeakPolarHBondContact O-CG2 3.37Å; N202-T206 VanDerWaalsContact O-CB 3.31Å; N202-T206 WeakPolarHBondContact O-CB 3.48Å; N202-T206 WeakPolarHBondContact O-CG2 3.44Å; N202-T206 PolarHBondContact O-N 2.89Å; N202-T206 VanDerWaalsContact O-N 3.16Å; N202-T206 PolarHBondContact O-OG1 3Å; R204-T206 VanDerWaalsContact C-N 3.28Å; R204-T206 PolarHBondContact O-N 2.89Å |
| 207 | K | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -82.6 | 165.5 | 177.8 | -54.9 | -59.7 | -176.1 | -179.2 | 0 | 111 | Y165 R204 L205 E211 I215 | Y165-K207 PolarHBondContact OH-O 3.38Å; R204-K207 VanDerWaalsContact O-CB 3.29Å; R204-K207 WeakPolarHBondContact O-CB 3.36Å; R204-K207 WeakPolarHBondContact O-CG 3.3Å; R204-K207 PolarHBondContact O-N 3.1Å; R204-K207 VanDerWaalsContact O-N 3.15Å; L205-K207 VanDerWaalsContact C-N 3.33Å; K207-E211 HydrophobicContact CB-CB 3.78Å; K207-I215 HydrophobicContact CG-CD1 4.1Å |
| 208 | T | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | trans | -61.6 | 154.8 | 169.6 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | S210 E211 F212 | T208-S210 PolarHBondContact O-N 3.39Å; T208-S210 VanDerWaalsContact O-N 3.16Å; T208-E211 WeakPolarHBondContact CB-OE2 3.42Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.01Å; T208-E211 PolarHBondContact O-N 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.28Å; T208-E211 WeakPolarHBondContact OG1-CG 3.39Å; T208-E211 PolarHBondContact OG1-N 3.37Å; T208-E211 PolarHBondContact OG1-OE2 3.19Å; T208-F212 PolarHBondContact O-N 3.46Å | ||
| 209 | K | 98.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 64.8 Ų | 64.8 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.8 | -39.9 | 176.9 | -174.2 | 172.5 | -177.4 | 174.3 | 0 | 113 | A162 Y165 D166 F212 I213 | A162-K209 WeakPolarHBondContact O-CE 3.39Å; Y165-K209 HydrophobicContact CD1-CB 3.82Å; Y165-K209 HydrophobicContact CD1-CD 3.83Å; Y165-K209 HydrophobicContact CD1-CG 3.69Å; Y165-K209 HydrophobicContact CD2-CB 4.29Å; Y165-K209 HydrophobicContact CD2-CG 4.38Å; Y165-K209 HydrophobicContact CE1-CB 3.67Å; Y165-K209 HydrophobicContact CE1-CD 4.28Å; Y165-K209 HydrophobicContact CE1-CG 4.09Å; Y165-K209 HydrophobicContact CE2-CB 4.13Å; Y165-K209 HydrophobicContact CG-CB 4.13Å; Y165-K209 HydrophobicContact CG-CD 4.4Å; Y165-K209 HydrophobicContact CG-CG 3.85Å; D166-K209 WeakPolarHBondContact OD1-CE 3.29Å; D166-K209 IonicContact OD1-NZ 3.5Å; D166-K209 PolarHBondContact OD1-NZ 3.22Å; D166-K209 IonicContact OD2-NZ 3.55Å; D166-K209 PolarHBondContact OD2-NZ 3.33Å; K209-F212 PolarHBondContact O-N 2.97Å; K209-I213 HydrophobicContact CG-CD1 3.92Å; K209-I213 HydrophobicContact CG-CG1 4.5Å; K209-I213 VanDerWaalsContact O-CG1 3.25Å; K209-I213 WeakPolarHBondContact O-CG1 3.41Å; K209-I213 PolarHBondContact O-N 2.95Å |
| 210 | S | 98.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 68 Ų | 68 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 179.1 | -170 | 0 | 0 | 0 | 0 | 112.2 | T208 K214 | T208-S210 PolarHBondContact O-N 3.39Å; T208-S210 VanDerWaalsContact O-N 3.16Å; S210-K214 PolarHBondContact O-N 3.34Å; S210-K214 VanDerWaalsContact O-N 3.12Å |
| 211 | E | 98.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.8 | -70.8 | 167.6 | 122 | 0 | 0 | 111.3 | K207 T208 K214 I215 | K207-E211 HydrophobicContact CB-CB 3.78Å; T208-E211 WeakPolarHBondContact CB-OE2 3.42Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.01Å; T208-E211 PolarHBondContact O-N 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.28Å; T208-E211 WeakPolarHBondContact OG1-CG 3.39Å; T208-E211 PolarHBondContact OG1-N 3.37Å; T208-E211 PolarHBondContact OG1-OE2 3.19Å; E211-K214 PolarHBondContact O-N 2.65Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.23Å; E211-I215 PolarHBondContact O-N 3.44Å |
| 212 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -51.1 | 175.1 | 177.8 | -92.2 | 0 | 0 | 0 | 111.6 | A161 L164 Y165 R204 L205 T208 K209 K214 I215 M216 | A161-F212 HydrophobicContact CB-CD1 4.44Å; A161-F212 HydrophobicContact CB-CE1 4.16Å; A161-F212 VanDerWaalsContact O-CE1 3.23Å; A161-F212 WeakPolarHBondContact O-CE1 3.16Å; L164-F212 HydrophobicContact CB-CE1 4.32Å; L164-F212 HydrophobicContact CB-CZ 4.47Å; L164-F212 HydrophobicContact CD2-CE1 4.37Å; L164-F212 HydrophobicContact CD2-CZ 3.86Å; L164-F212 HydrophobicContact CG-CE1 4.41Å; L164-F212 HydrophobicContact CG-CZ 4.07Å; Y165-F212 HydrophobicContact CD2-CB 3.71Å; Y165-F212 AromaticContact CD2-CD1 3.87Å; Y165-F212 HydrophobicContact CD2-CD1 3.87Å; Y165-F212 HydrophobicContact CD2-CD2 4.2Å; Y165-F212 AromaticContact CD2-CG 3.65Å; Y165-F212 HydrophobicContact CD2-CG 3.65Å; Y165-F212 HydrophobicContact CE2-CB 4.12Å; Y165-F212 HydrophobicContact CE2-CG 4.46Å; Y165-F212 HydrophobicContact CG-CD1 4.32Å; R204-F212 HydrophobicContact CB-CD2 3.8Å; R204-F212 HydrophobicContact CB-CE2 3.84Å; L205-F212 HydrophobicContact CD2-CD2 4.05Å; L205-F212 HydrophobicContact CD2-CE2 3.58Å; L205-F212 HydrophobicContact CD2-CZ 4.06Å; L205-F212 HydrophobicContact CG-CD2 4.38Å; L205-F212 HydrophobicContact CG-CE2 3.88Å; T208-F212 PolarHBondContact O-N 3.46Å; K209-F212 PolarHBondContact O-N 2.97Å; F212-K214 VanDerWaalsContact C-N 3.28Å; F212-K214 PolarHBondContact O-N 3.06Å; F212-I215 PolarHBondContact O-N 3.37Å; F212-M216 HydrophobicContact CD1-CG 3.95Å; F212-M216 HydrophobicContact CD2-CG 4.33Å; F212-M216 HydrophobicContact CE1-CG 3.52Å; F212-M216 HydrophobicContact CE2-CG 3.95Å; F212-M216 HydrophobicContact CE2-SD 4.11Å; F212-M216 HydrophobicContact CG-CG 4.34Å; F212-M216 HydrophobicContact CZ-CG 3.53Å; F212-M216 HydrophobicContact CZ-SD 3.97Å; F212-M216 VanDerWaalsContact O-CG 3.31Å; F212-M216 WeakPolarHBondContact O-CG 3.31Å; F212-M216 PolarHBondContact O-N 3.3Å |
| 213 | I | 98.8 | Very high | 96.9 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 178.6 | -70.2 | 164.9 | 0 | 0 | 0 | 110.6 | A161 A162 K209 M216 N217 | A161-I213 HydrophobicContact CB-CB 4.43Å; A161-I213 HydrophobicContact CB-CG1 4.12Å; A162-I213 HydrophobicContact CB-CD1 3.76Å; A162-I213 HydrophobicContact CB-CG1 4.27Å; K209-I213 HydrophobicContact CG-CD1 3.92Å; K209-I213 HydrophobicContact CG-CG1 4.5Å; K209-I213 VanDerWaalsContact O-CG1 3.25Å; K209-I213 WeakPolarHBondContact O-CG1 3.41Å; K209-I213 PolarHBondContact O-N 2.95Å; I213-M216 PolarHBondContact O-N 2.89Å; I213-N217 WeakPolarHBondContact O-CB 3.4Å; I213-N217 VanDerWaalsContact O-CG 3.22Å; I213-N217 PolarHBondContact O-N 2.84Å; I213-N217 PolarHBondContact O-ND2 2.89Å |
| 214 | K | 98.7 | Very high | 96.6 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 176.6 | -175.8 | -178.3 | 175.8 | -175 | 0 | 111.3 | S210 E211 F212 M216 N217 E218 | S210-K214 PolarHBondContact O-N 3.34Å; S210-K214 VanDerWaalsContact O-N 3.12Å; E211-K214 PolarHBondContact O-N 2.65Å; F212-K214 VanDerWaalsContact C-N 3.28Å; F212-K214 PolarHBondContact O-N 3.06Å; K214-M216 VanDerWaalsContact C-N 3.32Å; K214-M216 PolarHBondContact O-N 2.95Å; K214-N217 PolarHBondContact O-N 2.85Å; K214-E218 WeakPolarHBondContact CE-OE1 3.16Å; K214-E218 WeakPolarHBondContact CE-OE2 3.19Å; K214-E218 WeakPolarHBondContact CG-OE1 3.39Å; K214-E218 WeakPolarHBondContact O-CB 3.27Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.4Å; K214-E218 VanDerWaalsContact O-N 3.12Å |
| 215 | I | 98.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 79.1 Ų | 79.1 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 178.8 | -69.2 | 162.4 | 0 | 0 | 0 | 110.9 | R204 K207 E211 F212 N217 E218 L219 | R204-I215 HydrophobicContact CG-CG2 4.15Å; K207-I215 HydrophobicContact CG-CD1 4.1Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.23Å; E211-I215 PolarHBondContact O-N 3.44Å; F212-I215 PolarHBondContact O-N 3.37Å; I215-N217 PolarHBondContact O-N 3.47Å; I215-E218 PolarHBondContact O-N 2.97Å; I215-L219 WeakPolarHBondContact O-CG 3.45Å; I215-L219 PolarHBondContact O-N 3.41Å |
| 216 | M | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.039 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | -176.6 | -67.4 | -52.4 | -69.9 | 0 | 0 | 112.4 | G152 T154 A161 L164 F212 I213 K214 E218 L219 | G152-M216 WeakPolarHBondContact O-CE 3.37Å; T154-M216 HydrophobicContact CG2-CE 3.94Å; A161-M216 HydrophobicContact CB-CB 3.62Å; A161-M216 HydrophobicContact CB-CG 4.08Å; L164-M216 HydrophobicContact CD2-CE 4.22Å; F212-M216 HydrophobicContact CD1-CG 3.95Å; F212-M216 HydrophobicContact CD2-CG 4.33Å; F212-M216 HydrophobicContact CE1-CG 3.52Å; F212-M216 HydrophobicContact CE2-CG 3.95Å; F212-M216 HydrophobicContact CE2-SD 4.11Å; F212-M216 HydrophobicContact CG-CG 4.34Å; F212-M216 HydrophobicContact CZ-CG 3.53Å; F212-M216 HydrophobicContact CZ-SD 3.97Å; F212-M216 VanDerWaalsContact O-CG 3.31Å; F212-M216 WeakPolarHBondContact O-CG 3.31Å; F212-M216 PolarHBondContact O-N 3.3Å; I213-M216 PolarHBondContact O-N 2.89Å; K214-M216 VanDerWaalsContact C-N 3.32Å; K214-M216 PolarHBondContact O-N 2.95Å; M216-E218 PolarHBondContact O-N 3.38Å; M216-L219 HydrophobicContact CE-CD1 3.6Å; M216-L219 PolarHBondContact O-N 3.18Å; M216-L219 HydrophobicContact SD-CD1 3.75Å; M216-L219 HydrophobicContact SD-CG 4.49Å |
| 217 | N | 96.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 81 Ų | 81 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.2 | -22.6 | 176.6 | -69 | -13 | 0 | 0 | 0 | 112.8 | I213 K214 I215 | I213-N217 WeakPolarHBondContact O-CB 3.4Å; I213-N217 VanDerWaalsContact O-CG 3.22Å; I213-N217 PolarHBondContact O-N 2.84Å; I213-N217 PolarHBondContact O-ND2 2.89Å; K214-N217 PolarHBondContact O-N 2.85Å; I215-N217 PolarHBondContact O-N 3.47Å |
| 218 | E | 96.6 | Very high | 95.7 | Very high | 113 Ų | 113 | 85.1 Ų | 85.1 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2.7 | -178.3 | -69.4 | 173.4 | 179 | 0 | 0 | 113.3 | K214 I215 M216 N220 | K214-E218 WeakPolarHBondContact CE-OE1 3.16Å; K214-E218 WeakPolarHBondContact CE-OE2 3.19Å; K214-E218 WeakPolarHBondContact CG-OE1 3.39Å; K214-E218 WeakPolarHBondContact O-CB 3.27Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.4Å; K214-E218 VanDerWaalsContact O-N 3.12Å; I215-E218 PolarHBondContact O-N 2.97Å; M216-E218 PolarHBondContact O-N 3.38Å; E218-N220 VanDerWaalsContact C-N 3.32Å; E218-N220 PolarHBondContact O-N 3.2Å; E218-N220 PolarHBondContact O-ND2 3.47Å |
| 219 | L | 93.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 86.3 Ų | 86.3 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | trans | -62.5 | -33.7 | -177.6 | -74.5 | -179.6 | 0 | 0 | 0 | 114 | I215 M216 L221 | I215-L219 WeakPolarHBondContact O-CG 3.45Å; I215-L219 PolarHBondContact O-N 3.41Å; M216-L219 HydrophobicContact CE-CD1 3.6Å; M216-L219 PolarHBondContact O-N 3.18Å; M216-L219 HydrophobicContact SD-CD1 3.75Å; M216-L219 HydrophobicContact SD-CG 4.49Å; L219-L221 HydrophobicContact CB-CD1 4.28Å; L219-L221 HydrophobicContact CB-CG 4.06Å; L219-L221 HydrophobicContact CD1-CD1 4.24Å; L219-L221 PolarHBondContact O-N 3.28Å; L219-L221 VanDerWaalsContact O-N 3.08Å | ||
| 220 | N | 91.2 | Very high | 95.4 | Very high | 145 Ų | 145 | 83 Ų | 83 | 78% | 0.775 | 42% | 0.417 | S | S | * | . | trans | 45.4 | 42.1 | 176.1 | -65.3 | -63.8 | 0 | 0 | 0 | 114.6 | E218 | E218-N220 VanDerWaalsContact C-N 3.32Å; E218-N220 PolarHBondContact O-N 3.2Å; E218-N220 PolarHBondContact O-ND2 3.47Å | ||
| 221 | L | 92.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 80.3 Ų | 80.3 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 143.8 | -175.7 | -64.5 | 171.3 | 0 | 0 | 0 | 111.5 | R153 L219 | R153-L221 HydrophobicContact CB-CD1 4.28Å; R153-L221 PolarHBondContact NH2-O 2.91Å; L219-L221 HydrophobicContact CB-CD1 4.28Å; L219-L221 HydrophobicContact CB-CG 4.06Å; L219-L221 HydrophobicContact CD1-CD1 4.24Å; L219-L221 PolarHBondContact O-N 3.28Å; L219-L221 VanDerWaalsContact O-N 3.08Å |
| 222 | P | 92.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 79.3 Ų | 79.3 | 71% | 0.714 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -61 | 142.6 | 171.3 | 27.8 | -34.7 | 0 | 0 | 0 | 110.2 | R153 | R153-P222 PolarHBondContact NH1-O 2.81Š|
| 223 | L | 92 | Very high | 95.1 | Very high | 101 Ų | 101 | 81.1 Ų | 81.1 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 150 | 178.7 | -68.9 | 170.1 | 0 | 0 | 0 | 111.6 | K225 M227 | L223-K225 PolarHBondContact O-N 2.79Å; L223-M227 HydrophobicContact CB-CE 4.19Å; L223-M227 HydrophobicContact CD1-CE 3.77Å; L223-M227 HydrophobicContact CD2-CE 3.95Å; L223-M227 HydrophobicContact CD2-SD 4.19Å; L223-M227 HydrophobicContact CG-CE 4.19Å |
| 224 | P | 92.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 79.1 Ų | 79.1 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 130.4 | 176 | -21.3 | 31.5 | 0 | 0 | 0 | 110.9 | A73 D74 F156 Q226 M227 | A73-P224 HydrophobicContact CB-CB 4.5Å; A73-P224 HydrophobicContact CB-CG 4.25Å; D74-P224 HydrophobicContact CB-CB 4.27Å; F156-P224 HydrophobicContact CE1-CG 3.76Å; F156-P224 HydrophobicContact CZ-CG 4.11Å; P224-Q226 PolarHBondContact O-N 2.93Å; P224-Q226 VanDerWaalsContact O-N 3.11Å; P224-M227 HydrophobicContact CB-CB 4.19Å; P224-M227 VanDerWaalsContact O-CB 3.24Å; P224-M227 WeakPolarHBondContact O-CB 3.37Å; P224-M227 PolarHBondContact O-N 3.29Å |
| 225 | K | 92.8 | Very high | 95 | Very high | 214 Ų | 214 | 75.1 Ų | 75.1 | 93% | 0.93 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29 | -173.8 | -66.4 | -178.7 | -179.7 | 176.6 | 0 | 113.5 | L223 | L223-K225 PolarHBondContact O-N 2.79Š|
| 226 | Q | 93 | Very high | 94.9 | Very high | 63 Ų | 63 | 76 Ų | 76 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -0.4 | -179.2 | -63.1 | -76.7 | 16.5 | 0 | 0 | 112.8 | A73 D74 P224 E228 R229 A230 | A73-Q226 CarbonylContact O-C 3.6Å; D74-Q226 WeakPolarHBondContact O-CB 3.46Å; D74-Q226 VanDerWaalsContact O-CG 3.31Å; D74-Q226 WeakPolarHBondContact O-CG 3.36Å; P224-Q226 PolarHBondContact O-N 2.93Å; P224-Q226 VanDerWaalsContact O-N 3.11Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.35Å; Q226-R229 CarbonylContact O-C 3.54Å; Q226-R229 WeakPolarHBondContact O-CA 3.21Å; Q226-R229 PolarHBondContact O-N 2.67Å; Q226-A230 HydrophobicContact CB-CB 4.22Å; Q226-A230 VanDerWaalsContact O-CB 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.37Å; Q226-A230 PolarHBondContact O-N 3.35Å |
| 227 | M | 93.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 76.1 Ų | 76.1 | 18% | 0.177 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53.5 | -46.6 | -166.5 | -173.5 | 175.1 | 70.9 | 0 | 0 | 113.8 | A73 L223 P224 R229 A230 I231 | A73-M227 HydrophobicContact CB-CB 4.41Å; A73-M227 HydrophobicContact CB-CG 4.02Å; A73-M227 WeakPolarHBondContact O-CA 3.45Å; A73-M227 PolarHBondContact O-N 3.5Å; A73-M227 VanDerWaalsContact O-N 3.09Å; L223-M227 HydrophobicContact CB-CE 4.19Å; L223-M227 HydrophobicContact CD1-CE 3.77Å; L223-M227 HydrophobicContact CD2-CE 3.95Å; L223-M227 HydrophobicContact CD2-SD 4.19Å; L223-M227 HydrophobicContact CG-CE 4.19Å; P224-M227 HydrophobicContact CB-CB 4.19Å; P224-M227 VanDerWaalsContact O-CB 3.24Å; P224-M227 WeakPolarHBondContact O-CB 3.37Å; P224-M227 PolarHBondContact O-N 3.29Å; M227-R229 VanDerWaalsContact C-N 3.26Å; M227-R229 PolarHBondContact O-N 2.75Å; M227-A230 PolarHBondContact O-N 3.39Å; M227-I231 HydrophobicContact CG-CD1 3.45Å; M227-I231 VanDerWaalsContact CG-CD1 3.45Å; M227-I231 HydrophobicContact CG-CG1 4.15Å; M227-I231 PolarHBondContact O-N 3.45Å; M227-I231 VanDerWaalsContact O-N 3.1Å; M227-I231 HydrophobicContact SD-CD1 4.25Å |
| 228 | E | 93.7 | Very high | 94.8 | Very high | 179 Ų | 179 | 71.3 Ų | 71.3 | 84% | 0.836 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.9 | -28.9 | 179.7 | -64.5 | -177.3 | 173.7 | 0 | 0 | 113.2 | Q226 P232 | Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.35Å; E228-P232 VanDerWaalsContact O-CD 3.23Å; E228-P232 WeakPolarHBondContact O-CD 3.43Å; E228-P232 VanDerWaalsContact O-CG 3.29Å; E228-P232 WeakPolarHBondContact O-CG 3.47Å |
| 229 | R | 95 | Very high | 94.5 | Very high | 103 Ų | 103 | 67.2 Ų | 67.2 | 39% | 0.389 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -86.6 | -44.5 | 175.8 | 175 | 179.9 | 170.8 | -133.2 | -2.3 | 111.7 | E47 V76 Q226 M227 L233 | E47-R229 IonicContact OE1-CZ 3.48Å; E47-R229 IonicContact OE1-NH1 2.64Å; E47-R229 IonicContact OE1-NH2 3.44Å; E47-R229 PolarHBondContact OE1-NH2 3.36Å; V76-R229 HydrophobicContact CG2-CG 4.21Å; Q226-R229 CarbonylContact O-C 3.54Å; Q226-R229 WeakPolarHBondContact O-CA 3.21Å; Q226-R229 PolarHBondContact O-N 2.67Å; M227-R229 VanDerWaalsContact C-N 3.26Å; M227-R229 PolarHBondContact O-N 2.75Å; R229-L233 HydrophobicContact CG-CD1 3.83Å; R229-L233 WeakPolarHBondContact O-CB 3.08Å; R229-L233 WeakPolarHBondContact O-CD1 3.45Å; R229-L233 VanDerWaalsContact O-CG 3.29Å; R229-L233 WeakPolarHBondContact O-CG 3.48Å |
| 230 | A | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.4 | -50.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A73 H75 Q226 M227 L233 N234 | A73-A230 WeakPolarHBondContact O-CB 3.3Å; H75-A230 WeakPolarHBondContact O-CB 3.17Å; Q226-A230 HydrophobicContact CB-CB 4.22Å; Q226-A230 VanDerWaalsContact O-CB 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.37Å; Q226-A230 PolarHBondContact O-N 3.35Å; M227-A230 PolarHBondContact O-N 3.39Å; A230-L233 PolarHBondContact O-N 3.11Å; A230-N234 WeakPolarHBondContact O-CB 3.19Å; A230-N234 PolarHBondContact O-N 2.96Å; A230-N234 PolarHBondContact O-ND2 3.46Å |
| 231 | I | 96.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -52.6 | -174.2 | -67.4 | 177 | 0 | 0 | 0 | 112.2 | L71 A73 Q157 M227 L233 N234 L235 | L71-I231 HydrophobicContact CD2-CG2 4.06Å; A73-I231 HydrophobicContact CB-CD1 4.16Å; A73-I231 HydrophobicContact CB-CG1 4.04Å; Q157-I231 HydrophobicContact CG-CD1 3.81Å; M227-I231 HydrophobicContact CG-CD1 3.45Å; M227-I231 VanDerWaalsContact CG-CD1 3.45Å; M227-I231 HydrophobicContact CG-CG1 4.15Å; M227-I231 PolarHBondContact O-N 3.45Å; M227-I231 VanDerWaalsContact O-N 3.1Å; M227-I231 HydrophobicContact SD-CD1 4.25Å; I231-L233 VanDerWaalsContact C-N 3.32Å; I231-L233 PolarHBondContact O-N 3.35Å; I231-N234 PolarHBondContact O-N 3.37Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 3.13Å; I231-L235 VanDerWaalsContact O-N 3.1Å |
| 232 | P | 95.8 | Very high | 90.5 | Very high | 72 Ų | 72 | 75.7 Ų | 75.7 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | -178.5 | -17.7 | 27.9 | 0 | 0 | 0 | 113 | E228 | E228-P232 VanDerWaalsContact O-CD 3.23Å; E228-P232 WeakPolarHBondContact O-CD 3.43Å; E228-P232 VanDerWaalsContact O-CG 3.29Å; E228-P232 WeakPolarHBondContact O-CG 3.47Å |
| 233 | L | 97.7 | Very high | 90.3 | Very high | 37 Ų | 37 | 74 Ų | 74 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 177.9 | -70.3 | 176.5 | 0 | 0 | 0 | 111.3 | V76 R229 A230 I231 L235 K236 C237 G238 N240 | V76-L233 HydrophobicContact CG1-CB 4.05Å; V76-L233 HydrophobicContact CG1-CD1 4.16Å; V76-L233 HydrophobicContact CG2-CD1 3.87Å; R229-L233 HydrophobicContact CG-CD1 3.83Å; R229-L233 WeakPolarHBondContact O-CB 3.08Å; R229-L233 WeakPolarHBondContact O-CD1 3.45Å; R229-L233 VanDerWaalsContact O-CG 3.29Å; R229-L233 WeakPolarHBondContact O-CG 3.48Å; A230-L233 PolarHBondContact O-N 3.11Å; I231-L233 VanDerWaalsContact C-N 3.32Å; I231-L233 PolarHBondContact O-N 3.35Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 PolarHBondContact O-N 2.9Å; L233-K236 CarbonylContact O-C 3.55Å; L233-K236 WeakPolarHBondContact O-CA 3.43Å; L233-K236 PolarHBondContact O-N 2.95Å; L233-C237 PolarHBondContact O-N 2.81Å; L233-G238 WeakPolarHBondContact O-CA 3.19Å; L233-G238 PolarHBondContact O-N 2.86Å; L233-N240 HydrophobicContact CD2-CB 3.94Å |
| 234 | N | 98.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68 | -27.9 | -177.2 | -70.7 | -12.3 | 0 | 0 | 0 | 112.3 | L71 H72 H75 V76 T77 A230 I231 K236 C237 | L71-N234 VanDerWaalsContact CD1-C 3.44Å; L71-N234 HydrophobicContact CD1-CB 3.54Å; L71-N234 HydrophobicContact CG-CB 4.27Å; H72-N234 PolarHBondContact O-ND2 3.33Å; H75-N234 PolarHBondContact O-ND2 3.46Å; V76-N234 WeakPolarHBondContact CA-OD1 3.3Å; T77-N234 WeakPolarHBondContact CG2-OD1 3.32Å; T77-N234 PolarHBondContact N-OD1 3.45Å; A230-N234 WeakPolarHBondContact O-CB 3.19Å; A230-N234 PolarHBondContact O-N 2.96Å; A230-N234 PolarHBondContact O-ND2 3.46Å; I231-N234 PolarHBondContact O-N 3.37Å; N234-K236 PolarHBondContact O-N 3.27Å; N234-K236 VanDerWaalsContact O-N 3.13Å; N234-C237 PolarHBondContact O-N 3.25Å; N234-C237 VanDerWaalsContact O-N 3.11Å |
| 235 | L | 96.9 | Very high | 90.1 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.7 | 168.6 | -76 | 171.3 | 0 | 0 | 0 | 112.3 | L71 V98 K99 I231 L233 | L71-L235 HydrophobicContact CD1-CD2 4.14Å; L71-L235 HydrophobicContact CD1-CG 4.24Å; L71-L235 HydrophobicContact CD2-CD2 3.78Å; L71-L235 HydrophobicContact CD2-CG 3.98Å; V98-L235 CarbonylContact C-O 3.5Å; V98-L235 HydrophobicContact CB-CD2 4.38Å; K99-L235 PolarHBondContact N-O 2.61Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 3.13Å; I231-L235 VanDerWaalsContact O-N 3.1Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 PolarHBondContact O-N 2.9Å |
| 236 | K | 96.8 | Very high | 90 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 32.2 | 177.8 | -53.6 | 178.7 | -171.9 | 175.4 | 0 | 111.8 | L233 N234 G238 I239 | L233-K236 CarbonylContact O-C 3.55Å; L233-K236 WeakPolarHBondContact O-CA 3.43Å; L233-K236 PolarHBondContact O-N 2.95Å; N234-K236 PolarHBondContact O-N 3.27Å; N234-K236 VanDerWaalsContact O-N 3.13Å; K236-G238 VanDerWaalsContact C-N 3.28Å; K236-G238 PolarHBondContact O-N 3.22Å; K236-I239 WeakPolarHBondContact CB-O 3.32Å; K236-I239 WeakPolarHBondContact O-CG1 3.42Å; K236-I239 PolarHBondContact O-N 2.81Å |
| 237 | C | 97.2 | Very high | 89.8 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 28.8 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 115.3 | T77 G80 S90 K99 L233 N234 I239 | T77-C237 VanDerWaalsContact CG2-C 3.45Å; G80-C237 WeakPolarHBondContact CA-O 3.43Å; G80-C237 PolarHBondContact N-O 3.34Å; S90-C237 VanDerWaalsContact CB-SG 3.59Å; S90-C237 PolarHBondContact OG-SG 2.97Å; S90-C237 VanDerWaalsContact OG-SG 3.4Å; K99-C237 PolarHBondContact O-SG 3.4Å; L233-C237 PolarHBondContact O-N 2.81Å; N234-C237 PolarHBondContact O-N 3.25Å; N234-C237 VanDerWaalsContact O-N 3.11Å; C237-I239 VanDerWaalsContact C-N 3.31Å; C237-I239 PolarHBondContact O-N 3.45Å |
| 238 | G | 95.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 8.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V76 L233 K236 | V76-G238 VanDerWaalsContact CG1-CA 3.45Å; L233-G238 WeakPolarHBondContact O-CA 3.19Å; L233-G238 PolarHBondContact O-N 2.86Å; K236-G238 VanDerWaalsContact C-N 3.28Å; K236-G238 PolarHBondContact O-N 3.22Å |
| 239 | I | 90.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | trans | -117.1 | 144.3 | 177.6 | 54.9 | 177.5 | 0 | 0 | 0 | 110.3 | L81 K236 C237 D241 | L81-I239 HydrophobicContact CD2-CG2 4.17Å; L81-I239 HydrophobicContact CG-CG2 4.42Å; K236-I239 WeakPolarHBondContact CB-O 3.32Å; K236-I239 WeakPolarHBondContact O-CG1 3.42Å; K236-I239 PolarHBondContact O-N 2.81Å; C237-I239 VanDerWaalsContact C-N 3.31Å; C237-I239 PolarHBondContact O-N 3.45Å; I239-D241 VanDerWaalsContact CD1-OD2 3.25Å; I239-D241 WeakPolarHBondContact CD1-OD2 3.47Å | ||
| 240 | N | 79.3 | Confident | 88.8 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | trans | -105.6 | 80 | 170.1 | -161.4 | 33 | 0 | 0 | 0 | 107.8 | L233 E242 | L233-N240 HydrophobicContact CD2-CB 3.94Å; N240-E242 PolarHBondContact O-N 2.95Å | ||
| 241 | D | 63.6 | Low | 88.1 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | trans | -77 | 83.7 | 169.1 | -65.5 | -18.1 | 0 | 0 | 0 | 107.4 | I239 | I239-D241 VanDerWaalsContact CD1-OD2 3.25Å; I239-D241 WeakPolarHBondContact CD1-OD2 3.47Å | ||
| 242 | E | 49 | Very low | 87.3 | Confident | 231 Ų | 231 | 65.3 Ų | 65.3 | 100% | 1.079 | 34% | 0.339 | S | S | * | . | trans | -98.8 | 0 | 149.4 | -77.2 | -175.6 | 177.5 | 0 | 0 | 108.9 | N240 | N240-E242 PolarHBondContact O-N 2.95Š|
Retrieved 242 of 242 residues in 86 ms
(Link to these results)