| 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 | 42.8 | Very low | 55.6 | Low | 250 Ų | 250 | 176.6 Ų | 176.6 | 100% | 1.232 | 88% | 0.88 | S | S | * | * | 0 | 111.3 | 0 | -157.3 | 158.2 | 165.8 | 0 | 0 | 107.4 | |||||
| 2 | M | 47 | Very low | 55.7 | Low | 182 Ų | 182 | 171.5 Ų | 171.5 | 90% | 0.897 | 87% | 0.869 | S | S | * | * | trans | -65.7 | 141.8 | -167.8 | -81.4 | 154.5 | 68.3 | 0 | 0 | 113.8 | ||||
| 3 | A | 49.8 | Very low | 56.4 | Low | 101 Ų | 101 | 165.5 Ų | 165.5 | 84% | 0.835 | 86% | 0.861 | S | S | * | * | trans | -130.9 | 92.1 | 154 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | A | 52.3 | Low | 56.9 | Low | 79 Ų | 79 | 165.9 Ų | 165.9 | 65% | 0.653 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 117.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 5 | R | 56.6 | Low | 57.2 | Low | 239 Ų | 239 | 170.8 Ų | 170.8 | 90% | 0.902 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 122.3 | 173.7 | -72.2 | -178.2 | -177.8 | -168.8 | 0.1 | 109.4 | ||
| 6 | F | 55.8 | Low | 57.6 | Low | 187 Ų | 187 | 171.8 Ų | 171.8 | 82% | 0.82 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132.8 | 170.3 | -80.4 | -97.4 | 0 | 0 | 0 | 110.9 | ||
| 7 | L | 59.8 | Low | 57.9 | Low | 169 Ų | 169 | 166.8 Ų | 166.8 | 89% | 0.885 | 86% | 0.858 | S | S | * | * | trans | -115.9 | 103.4 | 153.2 | -93 | 104.3 | 0 | 0 | 0 | 108.5 | R9 | L7-R9 PolarHBondContact O-N 3.04Š| ||
| 8 | R | 60.6 | Low | 58.1 | Low | 231 Ų | 231 | 170.8 Ų | 170.8 | 87% | 0.872 | 86% | 0.86 | S | S | * | * | trans | -75.4 | 115.8 | 165.3 | -76.9 | -178.2 | 173.7 | -166.6 | -2 | 107.9 | A10 | R8-A10 PolarHBondContact O-N 3.36Š| ||
| 9 | R | 60.3 | Low | 58.7 | Low | 246 Ų | 246 | 167.6 Ų | 167.6 | 93% | 0.928 | 86% | 0.856 | S | S | * | * | trans | -71.7 | 110.5 | 173.1 | -132.7 | 175.9 | -179.9 | -175.1 | -1.2 | 108 | L7 L11 | L7-R9 PolarHBondContact O-N 3.04Å; R9-L11 PolarHBondContact O-N 3.43Å | ||
| 10 | A | 62.8 | Low | 59.2 | Low | 98 Ų | 98 | 170.6 Ų | 170.6 | 81% | 0.81 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 118.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | R8 | R8-A10 PolarHBondContact O-N 3.36Š|
| 11 | L | 64.2 | Low | 59.7 | Low | 161 Ų | 161 | 167.1 Ų | 167.1 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 135.8 | 168.2 | -71.8 | 166 | 0 | 0 | 0 | 108.5 | R9 A13 | R9-L11 PolarHBondContact O-N 3.43Å; L11-A13 PolarHBondContact O-N 2.74Å |
| 12 | P | 56.6 | Low | 60.7 | Low | 115 Ų | 115 | 163.9 Ų | 163.9 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123.7 | 175.9 | 27.2 | -31 | 0 | 0 | 0 | 108.9 | L14 | P12-L14 PolarHBondContact O-N 3.34Å; P12-L14 VanDerWaalsContact O-N 3.08Å |
| 13 | A | 65 | Low | 61.3 | Low | 94 Ų | 94 | 159.4 Ų | 159.4 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -66.8 | 107.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | L11 R15 | L11-A13 PolarHBondContact O-N 2.74Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3Å | ||
| 14 | L | 62.5 | Low | 61.7 | Low | 170 Ų | 170 | 159.1 Ų | 159.1 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -60.6 | 98.6 | 168.4 | -86 | 158.2 | 0 | 0 | 0 | 107.6 | P12 Q16 | P12-L14 PolarHBondContact O-N 3.34Å; P12-L14 VanDerWaalsContact O-N 3.08Å; L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å | ||
| 15 | R | 62.4 | Low | 61.8 | Low | 240 Ų | 240 | 161.2 Ų | 161.2 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -65.4 | 95.9 | 165.9 | -85 | -173.9 | 170.6 | -172.3 | -2 | 106.8 | A13 A17 | A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3Å; R15-A17 PolarHBondContact O-N 3.28Å | ||
| 16 | Q | 63.2 | Low | 61.9 | Low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -70.3 | 86.8 | 169.6 | -149 | 166.2 | 14.4 | 0 | 0 | 107 | L14 R18 | L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å; Q16-R18 PolarHBondContact O-N 2.86Å | ||
| 17 | A | 62.5 | Low | 62.2 | Low | 87 Ų | 87 | 148.7 Ų | 148.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -62.4 | 120.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | R15 S19 | R15-A17 PolarHBondContact O-N 3.28Å; A17-S19 PolarHBondContact O-N 3.01Å | ||
| 18 | R | 62.4 | Low | 62.7 | Low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 101.4 | 170 | -66.9 | -178 | 178.9 | -178.6 | -1.2 | 106.8 | Q16 | Q16-R18 PolarHBondContact O-N 2.86Š| ||
| 19 | S | 67.9 | Low | 63.4 | Low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 129.7 | 166.6 | 58.9 | 0 | 0 | 0 | 0 | 107.8 | A17 | A17-S19 PolarHBondContact O-N 3.01Š|
| 20 | Y | 68.9 | Low | 64.9 | Low | 227 Ų | 227 | 128.4 Ų | 128.4 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142.2 | 163.9 | -74.9 | -90.2 | 0 | 0 | 0 | 108.2 | E22 | Y20-E22 PolarHBondContact O-N 3.47Š|
| 21 | A | 71.3 | Confident | 66.5 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 131.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A23 | A21-A23 PolarHBondContact O-N 3.35Š|
| 22 | E | 62 | Low | 68 | Low | 181 Ų | 181 | 118.1 Ų | 118.1 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.4 | 173.1 | -163.3 | 161.4 | 159.1 | 0 | 0 | 108 | Y20 A24 | Y20-E22 PolarHBondContact O-N 3.47Å; E22-A24 PolarHBondContact O-N 3.45Å |
| 23 | A | 60 | Low | 70 | Confident | 89 Ų | 89 | 114.2 Ų | 114.2 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108 | A21 S25 | A21-A23 PolarHBondContact O-N 3.35Å; A23-S25 PolarHBondContact O-N 3.41Å; A23-S25 VanDerWaalsContact O-N 3.12Å |
| 24 | A | 59.3 | Low | 71.6 | Confident | 94 Ų | 94 | 109.7 Ų | 109.7 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 123.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E22 G26 | E22-A24 PolarHBondContact O-N 3.45Å; A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 2.91Å |
| 25 | S | 52.8 | Low | 73.3 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 87% | 0.867 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -77.1 | 81.3 | -177.2 | 42.2 | 0 | 0 | 0 | 0 | 110.2 | A23 | A23-S25 PolarHBondContact O-N 3.41Å; A23-S25 VanDerWaalsContact O-N 3.12Å |
| 26 | G | 59.2 | Low | 75 | Confident | 50 Ų | 50 | 91.5 Ų | 91.5 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 161.9 | 143.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | A24 P28 | A24-G26 VanDerWaalsContact C-N 3.3Å; A24-G26 PolarHBondContact O-N 2.91Å; G26-P28 VanDerWaalsContact O-CD 3.24Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å; G26-P28 VanDerWaalsContact O-N 3.1Å |
| 27 | V | 62 | Low | 76.6 | Confident | 113 Ų | 113 | 88.1 Ų | 88.1 | 69% | 0.685 | 53% | 0.532 | S | S | * | . | trans | -61.2 | 115.7 | 163 | -176.5 | 0 | 0 | 0 | 0 | 105 | H29 | V27-H29 PolarHBondContact O-N 3.43Å; V27-H29 PolarHBondContact O-ND1 3.47Å | ||
| 28 | P | 70.3 | Confident | 78.1 | Confident | 90 Ų | 90 | 90 Ų | 90 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | trans | -59.5 | 127.4 | 178.2 | 26.7 | -33 | 0 | 0 | 0 | 106.6 | G26 P63 | G26-P28 VanDerWaalsContact O-CD 3.24Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å; G26-P28 VanDerWaalsContact O-N 3.1Å; P28-P63 HydrophobicContact CB-CB 3.72Å; P28-P63 HydrophobicContact CB-CG 4.43Å; P28-P63 HydrophobicContact CG-CB 4.22Å; P28-P63 WeakPolarHBondContact O-CG 3.36Å | ||
| 29 | H | 75.9 | Confident | 79.7 | Confident | 127 Ų | 127 | 83.7 Ų | 83.7 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | trans | -119.8 | 144.5 | -177.4 | 44.3 | -84.5 | 0 | 0 | 0 | 108.8 | V27 S46 | V27-H29 PolarHBondContact O-N 3.43Å; V27-H29 PolarHBondContact O-ND1 3.47Å; H29-S46 WeakPolarHBondContact CB-OG 3.22Å | ||
| 30 | M | 92.4 | Very high | 81.1 | Confident | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.01 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.4 | 171.8 | 51.2 | 178.1 | -79.1 | 0 | 0 | 109 | F32 V47 V50 I61 P63 S102 V104 | M30-F32 HydrophobicContact CE-CB 4.21Å; M30-F32 HydrophobicContact CE-CD2 4.08Å; M30-F32 HydrophobicContact CE-CG 4.44Å; M30-F32 PolarHBondContact O-N 3.44Å; M30-V47 WeakPolarHBondContact CG-O 3.43Å; M30-V47 PolarHBondContact O-N 2.95Å; M30-V50 HydrophobicContact CE-CB 4.45Å; M30-V50 HydrophobicContact CE-CG2 3.79Å; M30-I61 HydrophobicContact CE-CG2 4.13Å; M30-I61 HydrophobicContact SD-CG2 4.14Å; M30-P63 HydrophobicContact CB-CG 4.48Å; M30-P63 HydrophobicContact CG-CG 4.3Å; M30-S102 WeakPolarHBondContact CA-O 3.49Å; M30-S102 WeakPolarHBondContact CB-O 3.46Å; M30-V104 HydrophobicContact CE-CB 3.54Å; M30-V104 HydrophobicContact CE-CG1 3.99Å; M30-V104 HydrophobicContact CE-CG2 3.36Å; M30-V104 HydrophobicContact SD-CG2 4.45Å |
| 31 | S | 95 | Very high | 82.4 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 30% | 0.301 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 112.8 | 171.6 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | E44 S102 S103 V104 | S31-E44 WeakPolarHBondContact OG-CA 3.4Å; S31-S102 PolarHBondContact N-O 3.03Å; S31-S103 CarbonylContact O-C 3.59Å; S31-S103 WeakPolarHBondContact O-CA 3.25Å; S31-V104 PolarHBondContact O-N 3.48Å |
| 32 | F | 97.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.9 | -175.5 | -177.2 | -120.2 | 0 | 0 | 0 | 111.6 | M30 F34 F42 E44 A45 V47 V50 V79 V104 L106 | M30-F32 HydrophobicContact CE-CB 4.21Å; M30-F32 HydrophobicContact CE-CD2 4.08Å; M30-F32 HydrophobicContact CE-CG 4.44Å; M30-F32 PolarHBondContact O-N 3.44Å; F32-F34 HydrophobicContact CD1-CB 4.4Å; F32-F34 HydrophobicContact CE1-CB 3.57Å; F32-F34 HydrophobicContact CE1-CG 4.43Å; F32-F34 HydrophobicContact CE2-CB 4.44Å; F32-F34 HydrophobicContact CZ-CB 3.61Å; F32-F34 HydrophobicContact CZ-CG 4.3Å; F32-F42 HydrophobicContact CD1-CB 3.9Å; F32-F42 HydrophobicContact CD1-CD1 4.34Å; F32-F42 HydrophobicContact CD1-CD2 4.31Å; F32-F42 AromaticContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CE1-CB 4.26Å; F32-F42 HydrophobicContact CE1-CD2 4.02Å; F32-F42 HydrophobicContact CE1-CG 4.11Å; F32-E44 PolarHBondContact O-N 2.97Å; F32-A45 PolarHBondContact N-O 3.46Å; F32-A45 PolarHBondContact O-N 2.94Å; F32-V47 HydrophobicContact CB-CB 3.99Å; F32-V47 HydrophobicContact CB-CG2 3.75Å; F32-V47 HydrophobicContact CD1-CG2 3.91Å; F32-V47 HydrophobicContact CG-CG2 4.22Å; F32-V50 HydrophobicContact CD1-CG2 4.11Å; F32-V50 HydrophobicContact CD2-CG2 3.84Å; F32-V50 HydrophobicContact CE1-CG1 4.49Å; F32-V50 HydrophobicContact CE1-CG2 4.06Å; F32-V50 HydrophobicContact CE2-CB 4.33Å; F32-V50 HydrophobicContact CE2-CG1 3.91Å; F32-V50 HydrophobicContact CE2-CG2 3.8Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; F32-V50 HydrophobicContact CZ-CB 4.46Å; F32-V50 HydrophobicContact CZ-CG1 3.75Å; F32-V50 HydrophobicContact CZ-CG2 3.89Å; F32-V79 HydrophobicContact CD1-CG1 4.31Å; F32-V79 HydrophobicContact CE1-CG1 4.16Å; F32-V79 HydrophobicContact CE1-CG2 3.78Å; F32-V79 HydrophobicContact CZ-CG2 4.28Å; F32-V104 WeakPolarHBondContact CA-O 3.49Å; F32-V104 HydrophobicContact CD2-CB 4.04Å; F32-V104 HydrophobicContact CD2-CG1 3.89Å; F32-V104 HydrophobicContact CE2-CG1 4.1Å; F32-L106 HydrophobicContact CE2-CB 3.86Å; F32-L106 HydrophobicContact CZ-CB 4.07Å; F32-L106 HydrophobicContact CZ-CD1 4.49Å |
| 33 | T | 97.9 | Very high | 85.3 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 20% | 0.202 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.9 | 171.2 | -62.5 | 0 | 0 | 0 | 0 | 108.5 | F42 E44 V104 Q105 L106 | T33-F42 CarbonylContact C-O 3.6Å; T33-F42 WeakPolarHBondContact CA-O 3.44Å; T33-E44 PolarHBondContact OG1-N 3.42Å; T33-E44 VanDerWaalsContact OG1-N 3.1Å; T33-V104 PolarHBondContact N-O 2.84Å; T33-Q105 CarbonylContact O-C 3.59Å; T33-Q105 WeakPolarHBondContact O-CA 3.23Å; T33-L106 PolarHBondContact O-N 3.35Å |
| 34 | F | 98.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 119.5 | 174.3 | 174.1 | -152 | 0 | 0 | 0 | 109.7 | F32 F41 F42 Y89 V91 L106 A108 A111 | F32-F34 HydrophobicContact CD1-CB 4.4Å; F32-F34 HydrophobicContact CE1-CB 3.57Å; F32-F34 HydrophobicContact CE1-CG 4.43Å; F32-F34 HydrophobicContact CE2-CB 4.44Å; F32-F34 HydrophobicContact CZ-CB 3.61Å; F32-F34 HydrophobicContact CZ-CG 4.3Å; F34-F41 HydrophobicContact CB-CB 4.42Å; F34-F41 HydrophobicContact CD1-CB 3.61Å; F34-F41 AromaticContact CD1-CD2 3.99Å; F34-F41 HydrophobicContact CD1-CD2 3.99Å; F34-F41 AromaticContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD2-CD2 4.3Å; F34-F41 HydrophobicContact CE1-CB 4.1Å; F34-F41 AromaticContact CE1-CD2 3.87Å; F34-F41 HydrophobicContact CE1-CD2 3.87Å; F34-F41 AromaticContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE2-CD2 4.18Å; F34-F41 HydrophobicContact CG-CB 4.11Å; F34-F41 HydrophobicContact CG-CD2 4.22Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CE2 4.33Å; F34-F41 PolarHBondContact O-N 3.4Å; F34-F42 HydrophobicContact CB-CB 4.18Å; F34-F42 HydrophobicContact CB-CD2 4.07Å; F34-F42 HydrophobicContact CD1-CD2 4.06Å; F34-F42 HydrophobicContact CD1-CE2 4.46Å; F34-F42 PolarHBondContact N-O 3.3Å; F34-F42 PolarHBondContact O-N 2.94Å; F34-Y89 HydrophobicContact CD1-CD2 4.4Å; F34-Y89 HydrophobicContact CE1-CD1 4.09Å; F34-Y89 AromaticContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CE2 4.34Å; F34-Y89 AromaticContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CZ-CG 4.39Å; F34-V91 HydrophobicContact CE2-CG2 4.23Å; F34-V91 HydrophobicContact CZ-CG2 3.86Å; F34-L106 VanDerWaalsContact CA-O 3.3Å; F34-L106 WeakPolarHBondContact CA-O 3.45Å; F34-L106 HydrophobicContact CB-CB 4.49Å; F34-L106 HydrophobicContact CD2-CB 4.19Å; F34-L106 HydrophobicContact CD2-CD2 3.28Å; F34-L106 HydrophobicContact CD2-CG 4.3Å; F34-L106 WeakPolarHBondContact CD2-O 3.19Å; F34-L106 HydrophobicContact CE2-CD2 3.27Å; F34-L106 HydrophobicContact CG-CD2 4.18Å; F34-L106 HydrophobicContact CZ-CD2 4.14Å; F34-A108 HydrophobicContact CE2-CB 3.86Å; F34-A111 HydrophobicContact CE2-CB 3.84Å; F34-A111 HydrophobicContact CZ-CB 3.48Å; F34-A111 VanDerWaalsContact CZ-CB 3.48Å |
| 35 | A | 98.1 | Very high | 88.6 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q39 V40 L106 L107 A108 | A35-Q39 WeakPolarHBondContact CA-O 3.41Å; A35-V40 HydrophobicContact CB-CB 4.39Å; A35-V40 HydrophobicContact CB-CG1 4.35Å; A35-V40 HydrophobicContact CB-CG2 4.04Å; A35-L106 PolarHBondContact N-O 3.37Å; A35-L106 VanDerWaalsContact N-O 3.11Å; A35-L107 HydrophobicContact CB-CD2 4.19Å; A35-L107 WeakPolarHBondContact O-CA 3.45Å; A35-A108 PolarHBondContact O-N 3.36Å |
| 36 | S | 97.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -117.8 | 169.9 | 161 | 69.7 | 0 | 0 | 0 | 0 | 109.6 | T38 Q39 A108 | S36-T38 PolarHBondContact O-N 2.94Å; S36-T38 VanDerWaalsContact O-N 3.11Å; S36-T38 PolarHBondContact OG-N 3.44Å; S36-T38 PolarHBondContact OG-OG1 3.36Å; S36-Q39 PolarHBondContact N-O 3.28Å; S36-Q39 PolarHBondContact O-N 3.06Å; S36-Q39 PolarHBondContact OG-N 3.19Å; S36-Q39 VanDerWaalsContact OG-N 3.11Å; S36-Q39 PolarHBondContact OG-O 3.13Å; S36-A108 VanDerWaalsContact CA-O 3.27Å; S36-A108 WeakPolarHBondContact CA-O 3.48Å | ||
| 37 | P | 97.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 62.6 Ų | 62.6 | 75% | 0.753 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -56.7 | -24 | 172.4 | -25.9 | 35.7 | 0 | 0 | 0 | 113.8 | A108 E109 | P37-A108 WeakPolarHBondContact CD-O 3.45Å; P37-E109 VanDerWaalsContact CD-O 3.24Å; P37-E109 WeakPolarHBondContact CD-O 3.36Å |
| 38 | T | 95 | Very high | 93.7 | Very high | 126 Ų | 126 | 64 Ų | 64 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -95.1 | -29.7 | -176.3 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | S36 | S36-T38 PolarHBondContact O-N 2.94Å; S36-T38 VanDerWaalsContact O-N 3.11Å; S36-T38 PolarHBondContact OG-N 3.44Å; S36-T38 PolarHBondContact OG-OG1 3.36Å |
| 39 | Q | 95.6 | Very high | 94.8 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | trans | -153.6 | 144.9 | -172.8 | -177.7 | 172.7 | 3.1 | 0 | 0 | 112.4 | A35 S36 F41 | A35-Q39 WeakPolarHBondContact CA-O 3.41Å; S36-Q39 PolarHBondContact N-O 3.28Å; S36-Q39 PolarHBondContact O-N 3.06Å; S36-Q39 PolarHBondContact OG-N 3.19Å; S36-Q39 VanDerWaalsContact OG-N 3.11Å; S36-Q39 PolarHBondContact OG-O 3.13Å; Q39-F41 HydrophobicContact CB-CE2 4.26Å; Q39-F41 HydrophobicContact CB-CZ 4.17Å; Q39-F41 HydrophobicContact CG-CE1 4.28Å; Q39-F41 HydrophobicContact CG-CE2 4.45Å; Q39-F41 HydrophobicContact CG-CZ 4.23Å | ||
| 40 | V | 97.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.2 | 166.1 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | A35 F42 Q43 | A35-V40 HydrophobicContact CB-CB 4.39Å; A35-V40 HydrophobicContact CB-CG1 4.35Å; A35-V40 HydrophobicContact CB-CG2 4.04Å; V40-F42 WeakPolarHBondContact CG1-O 3.37Å; V40-Q43 HydrophobicContact CG1-CB 4.01Å |
| 41 | F | 96.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -42.6 | -179.9 | -61.8 | -85.7 | 0 | 0 | 0 | 111.4 | F34 Q39 Y89 A111 | F34-F41 HydrophobicContact CB-CB 4.42Å; F34-F41 HydrophobicContact CD1-CB 3.61Å; F34-F41 AromaticContact CD1-CD2 3.99Å; F34-F41 HydrophobicContact CD1-CD2 3.99Å; F34-F41 AromaticContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD1-CG 3.96Å; F34-F41 HydrophobicContact CD2-CD2 4.3Å; F34-F41 HydrophobicContact CE1-CB 4.1Å; F34-F41 AromaticContact CE1-CD2 3.87Å; F34-F41 HydrophobicContact CE1-CD2 3.87Å; F34-F41 AromaticContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE1-CG 3.95Å; F34-F41 HydrophobicContact CE2-CD2 4.18Å; F34-F41 HydrophobicContact CG-CB 4.11Å; F34-F41 HydrophobicContact CG-CD2 4.22Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CE2 4.33Å; F34-F41 PolarHBondContact O-N 3.4Å; Q39-F41 HydrophobicContact CB-CE2 4.26Å; Q39-F41 HydrophobicContact CB-CZ 4.17Å; Q39-F41 HydrophobicContact CG-CE1 4.28Å; Q39-F41 HydrophobicContact CG-CE2 4.45Å; Q39-F41 HydrophobicContact CG-CZ 4.23Å; F41-Y89 AromaticContact CD1-CD1 4Å; F41-Y89 HydrophobicContact CD1-CD1 4Å; F41-Y89 AromaticContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CE1-CD1 4.14Å; F41-Y89 HydrophobicContact CE1-CE1 4.02Å; F41-Y89 HydrophobicContact CG-CE1 4.3Å; F41-A111 HydrophobicContact CD2-CB 4.4Å; F41-A111 HydrophobicContact CE2-CB 3.57Å; F41-A111 HydrophobicContact CZ-CB 3.87Å; F41-A111 WeakPolarHBondContact CZ-O 3.48Å |
| 42 | F | 96.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.3 | 175.4 | -66.3 | -99 | 0 | 0 | 0 | 108.9 | F32 T33 F34 V40 A45 V47 V79 Y89 | F32-F42 HydrophobicContact CD1-CB 3.9Å; F32-F42 HydrophobicContact CD1-CD1 4.34Å; F32-F42 HydrophobicContact CD1-CD2 4.31Å; F32-F42 AromaticContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CD1-CG 3.93Å; F32-F42 HydrophobicContact CE1-CB 4.26Å; F32-F42 HydrophobicContact CE1-CD2 4.02Å; F32-F42 HydrophobicContact CE1-CG 4.11Å; T33-F42 CarbonylContact C-O 3.6Å; T33-F42 WeakPolarHBondContact CA-O 3.44Å; F34-F42 HydrophobicContact CB-CB 4.18Å; F34-F42 HydrophobicContact CB-CD2 4.07Å; F34-F42 HydrophobicContact CD1-CD2 4.06Å; F34-F42 HydrophobicContact CD1-CE2 4.46Å; F34-F42 PolarHBondContact N-O 3.3Å; F34-F42 PolarHBondContact O-N 2.94Å; V40-F42 WeakPolarHBondContact CG1-O 3.37Å; F42-A45 HydrophobicContact CB-CB 4.25Å; F42-A45 HydrophobicContact CD1-CB 3.84Å; F42-V47 HydrophobicContact CD1-CG2 4.37Å; F42-V79 HydrophobicContact CE1-CG1 4Å; F42-V79 HydrophobicContact CE2-CB 4.39Å; F42-V79 HydrophobicContact CE2-CG1 4.21Å; F42-V79 HydrophobicContact CE2-CG2 4.1Å; F42-V79 HydrophobicContact CZ-CB 4.19Å; F42-V79 HydrophobicContact CZ-CG1 3.76Å; F42-V79 HydrophobicContact CZ-CG2 4.39Å; F42-Y89 AromaticContact CE2-CE2 3.81Å; F42-Y89 HydrophobicContact CE2-CE2 3.81Å; F42-Y89 AromaticContact CE2-CZ 3.99Å; F42-Y89 HydrophobicContact CZ-CE2 4.48Å |
| 43 | Q | 96.7 | Very high | 96.2 | Very high | 154 Ų | 154 | 57.1 Ų | 57.1 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 105.3 | 178.9 | -175.8 | 175.4 | 5 | 0 | 0 | 108.7 | V40 A45 | V40-Q43 HydrophobicContact CG1-CB 4.01Å; Q43-A45 PolarHBondContact O-N 3.23Å |
| 44 | E | 94.6 | Very high | 96.1 | Very high | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 35.1 | -179 | -58.3 | -175.4 | 166.7 | 0 | 0 | 113.4 | S31 F32 T33 | S31-E44 WeakPolarHBondContact OG-CA 3.4Å; F32-E44 PolarHBondContact O-N 2.97Å; T33-E44 PolarHBondContact OG1-N 3.42Å; T33-E44 VanDerWaalsContact OG1-N 3.1Å |
| 45 | A | 94.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F32 F42 Q43 V47 | F32-A45 PolarHBondContact N-O 3.46Å; F32-A45 PolarHBondContact O-N 2.94Å; F42-A45 HydrophobicContact CB-CB 4.25Å; F42-A45 HydrophobicContact CD1-CB 3.84Å; Q43-A45 PolarHBondContact O-N 3.23Å; A45-V47 HydrophobicContact CB-CG2 4.31Å; A45-V47 PolarHBondContact O-N 2.9Å |
| 46 | S | 93.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 66.9 Ų | 66.9 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.4 | 167.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | H29 D82 | H29-S46 WeakPolarHBondContact CB-OG 3.22Å; S46-D82 PolarHBondContact OG-OD2 3.01Å |
| 47 | V | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.7 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | M30 F32 F42 A45 Q49 V50 V79 F80 | M30-V47 WeakPolarHBondContact CG-O 3.43Å; M30-V47 PolarHBondContact O-N 2.95Å; F32-V47 HydrophobicContact CB-CB 3.99Å; F32-V47 HydrophobicContact CB-CG2 3.75Å; F32-V47 HydrophobicContact CD1-CG2 3.91Å; F32-V47 HydrophobicContact CG-CG2 4.22Å; F42-V47 HydrophobicContact CD1-CG2 4.37Å; A45-V47 HydrophobicContact CB-CG2 4.31Å; A45-V47 PolarHBondContact O-N 2.9Å; V47-Q49 WeakPolarHBondContact CG1-O 3.42Å; V47-V50 HydrophobicContact CG1-CG2 3.7Å; V47-V79 HydrophobicContact CG1-CG1 3.58Å; V47-V79 HydrophobicContact CG2-CG1 4.03Å; V47-F80 WeakPolarHBondContact CG1-O 3.47Å |
| 48 | R | 93.4 | Very high | 95.3 | Very high | 143 Ų | 143 | 66.6 Ų | 66.6 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -81.6 | -41.6 | -178.4 | 179.3 | 179.4 | 172.8 | -176.6 | -2.1 | 112.6 | P63 F80 | R48-P63 WeakPolarHBondContact O-CD 3.4Å; R48-F80 WeakPolarHBondContact CB-O 3.22Å; R48-F80 PolarHBondContact N-O 3.16Å |
| 49 | Q | 95.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 144.8 | -177.7 | 175.6 | 178.4 | -25.7 | 0 | 0 | 110.5 | V47 D51 I61 L62 F80 | V47-Q49 WeakPolarHBondContact CG1-O 3.42Å; Q49-D51 PolarHBondContact NE2-OD1 2.98Å; Q49-I61 CarbonylContact C-O 3.51Å; Q49-I61 VanDerWaalsContact CA-O 3.3Å; Q49-I61 WeakPolarHBondContact CA-O 3.35Å; Q49-L62 HydrophobicContact CB-CD1 4.39Å; Q49-L62 HydrophobicContact CB-CG 4.23Å; Q49-L62 HydrophobicContact CG-CD1 3.79Å; Q49-L62 HydrophobicContact CG-CG 4.18Å; Q49-F80 HydrophobicContact CB-CB 4.13Å; Q49-F80 HydrophobicContact CB-CD2 3.99Å; Q49-F80 HydrophobicContact CB-CG 4.44Å; Q49-F80 HydrophobicContact CG-CD2 3.93Å; Q49-F80 HydrophobicContact CG-CE2 4.48Å; Q49-F80 PolarHBondContact N-O 3.28Å; Q49-F80 PolarHBondContact O-N 2.79Å |
| 50 | V | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122.5 | 171.7 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | M30 F32 V47 V52 G60 I61 V77 T78 V79 | M30-V50 HydrophobicContact CE-CB 4.45Å; M30-V50 HydrophobicContact CE-CG2 3.79Å; F32-V50 HydrophobicContact CD1-CG2 4.11Å; F32-V50 HydrophobicContact CD2-CG2 3.84Å; F32-V50 HydrophobicContact CE1-CG1 4.49Å; F32-V50 HydrophobicContact CE1-CG2 4.06Å; F32-V50 HydrophobicContact CE2-CB 4.33Å; F32-V50 HydrophobicContact CE2-CG1 3.91Å; F32-V50 HydrophobicContact CE2-CG2 3.8Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; F32-V50 HydrophobicContact CZ-CB 4.46Å; F32-V50 HydrophobicContact CZ-CG1 3.75Å; F32-V50 HydrophobicContact CZ-CG2 3.89Å; V47-V50 HydrophobicContact CG1-CG2 3.7Å; V50-V52 HydrophobicContact CG1-CG1 3.76Å; V50-G60 CarbonylContact O-C 3.57Å; V50-I61 PolarHBondContact N-O 3.28Å; V50-I61 PolarHBondContact O-N 2.9Å; V50-V77 HydrophobicContact CG1-CG1 4.03Å; V50-T78 WeakPolarHBondContact CA-O 3.39Å; V50-V79 HydrophobicContact CG1-CG2 4.42Å; V50-V79 HydrophobicContact CG2-CG1 4.43Å |
| 51 | D | 97.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.7 | 173.8 | -66.2 | -10.9 | 0 | 0 | 0 | 109.6 | Q49 G60 V77 T78 F80 | Q49-D51 PolarHBondContact NE2-OD1 2.98Å; D51-G60 WeakPolarHBondContact OD1-CA 3.4Å; D51-V77 WeakPolarHBondContact O-CA 3.48Å; D51-T78 PolarHBondContact N-O 2.91Å; D51-T78 PolarHBondContact O-N 3.26Å; D51-F80 WeakPolarHBondContact OD2-CE2 3.43Å |
| 52 | V | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.6 | -172.3 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | V50 T54 A58 F59 I61 L72 V96 L106 | V50-V52 HydrophobicContact CG1-CG1 3.76Å; V52-T54 HydrophobicContact CG2-CG2 4.08Å; V52-A58 VanDerWaalsContact O-CA 3.32Å; V52-A58 WeakPolarHBondContact O-CA 3.32Å; V52-F59 HydrophobicContact CG2-CD1 4.08Å; V52-F59 HydrophobicContact CG2-CE1 3.75Å; V52-F59 HydrophobicContact CG2-CE2 4.24Å; V52-F59 HydrophobicContact CG2-CG 4.45Å; V52-F59 HydrophobicContact CG2-CZ 3.84Å; V52-F59 PolarHBondContact N-O 3.44Å; V52-F59 PolarHBondContact O-N 3.3Å; V52-F59 VanDerWaalsContact O-N 3.15Å; V52-I61 HydrophobicContact CG1-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CD1 3.98Å; V52-L72 HydrophobicContact CB-CD2 4.43Å; V52-V96 HydrophobicContact CG2-CG1 4.46Å; V52-L106 HydrophobicContact CB-CD1 4.37Å; V52-L106 HydrophobicContact CG1-CD1 3.42Å; V52-L106 VanDerWaalsContact CG1-CD1 3.42Å |
| 53 | P | 97.3 | Very high | 95 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.9 | 170.4 | 32.6 | -29.7 | 0 | 0 | 0 | 110.4 | L72 R73 V77 | P53-L72 WeakPolarHBondContact O-CA 3.46Å; P53-L72 WeakPolarHBondContact O-CD2 3.47Å; P53-R73 PolarHBondContact O-N 2.97Å; P53-R73 VanDerWaalsContact O-N 3.1Å; P53-V77 HydrophobicContact CG-CG2 4.36Å |
| 54 | T | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 169.7 | 175 | 77.6 | 0 | 0 | 0 | 0 | 111.8 | V52 T56 G57 F59 Q70 V71 L72 V96 | V52-T54 HydrophobicContact CG2-CG2 4.08Å; T54-T56 PolarHBondContact O-N 3.15Å; T54-T56 PolarHBondContact OG1-N 3.29Å; T54-G57 CarbonylContact C-O 3.59Å; T54-G57 WeakPolarHBondContact CA-O 3.32Å; T54-G57 PolarHBondContact N-O 3.36Å; T54-G57 PolarHBondContact O-N 3.18Å; T54-G57 PolarHBondContact OG1-O 3.28Å; T54-F59 HydrophobicContact CG2-CD1 4.21Å; T54-F59 HydrophobicContact CG2-CE1 3.56Å; T54-F59 HydrophobicContact CG2-CZ 4.5Å; T54-Q70 HydrophobicContact CG2-CB 4Å; T54-Q70 PolarHBondContact OG1-OE1 3.05Å; T54-V71 WeakPolarHBondContact CA-O 3.2Å; T54-V71 VanDerWaalsContact CB-O 3.3Å; T54-V71 WeakPolarHBondContact CB-O 3.36Å; T54-L72 HydrophobicContact CG2-CD2 4.28Å; T54-V96 HydrophobicContact CG2-CG1 4.26Å |
| 55 | L | 92.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 60% | 0.602 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.7 | 176.5 | -77 | -178 | 0 | 0 | 0 | 113.3 | V71 R73 | L55-V71 HydrophobicContact CB-CG2 4.25Å; L55-V71 HydrophobicContact CD1-CG2 3.33Å; L55-V71 HydrophobicContact CG-CG2 3.8Å; L55-V71 PolarHBondContact N-O 3.09Å; L55-R73 HydrophobicContact CD2-CB 4.33Å; L55-R73 HydrophobicContact CD2-CG 4.41Å |
| 56 | T | 91.9 | Very high | 94.8 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 81% | 0.81 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -12.2 | -178.9 | -49.5 | 0 | 0 | 0 | 0 | 112.5 | T54 | T54-T56 PolarHBondContact O-N 3.15Å; T54-T56 PolarHBondContact OG1-N 3.29Å |
| 57 | G | 94.3 | Very high | 95 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.5 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T54 | T54-G57 CarbonylContact C-O 3.59Å; T54-G57 WeakPolarHBondContact CA-O 3.32Å; T54-G57 PolarHBondContact N-O 3.36Å; T54-G57 PolarHBondContact O-N 3.18Å; T54-G57 PolarHBondContact OG1-O 3.28Å |
| 58 | A | 94.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 56 Ų | 56 | 72% | 0.719 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V52 | V52-A58 VanDerWaalsContact O-CA 3.32Å; V52-A58 WeakPolarHBondContact O-CA 3.32Å |
| 59 | F | 96.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.8 | 173.8 | 69.8 | -82 | 0 | 0 | 0 | 111.9 | V52 T54 I61 T68 | V52-F59 HydrophobicContact CG2-CD1 4.08Å; V52-F59 HydrophobicContact CG2-CE1 3.75Å; V52-F59 HydrophobicContact CG2-CE2 4.24Å; V52-F59 HydrophobicContact CG2-CG 4.45Å; V52-F59 HydrophobicContact CG2-CZ 3.84Å; V52-F59 PolarHBondContact N-O 3.44Å; V52-F59 PolarHBondContact O-N 3.3Å; V52-F59 VanDerWaalsContact O-N 3.15Å; T54-F59 HydrophobicContact CG2-CD1 4.21Å; T54-F59 HydrophobicContact CG2-CE1 3.56Å; T54-F59 HydrophobicContact CG2-CZ 4.5Å; F59-I61 HydrophobicContact CD2-CG1 4Å; F59-I61 HydrophobicContact CE2-CD1 4.01Å; F59-I61 HydrophobicContact CE2-CG1 3.51Å; F59-I61 HydrophobicContact CZ-CD1 4.4Å; F59-I61 HydrophobicContact CZ-CG1 4.36Å; F59-T68 HydrophobicContact CZ-CG2 4.45Å |
| 60 | G | 96.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V50 D51 | V50-G60 CarbonylContact O-C 3.57Å; D51-G60 WeakPolarHBondContact OD1-CA 3.4Å |
| 61 | I | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.5 | 176 | -56.1 | 163.5 | 0 | 0 | 0 | 107.4 | M30 Q49 V50 V52 F59 H65 V96 V98 V104 | M30-I61 HydrophobicContact CE-CG2 4.13Å; M30-I61 HydrophobicContact SD-CG2 4.14Å; Q49-I61 CarbonylContact C-O 3.51Å; Q49-I61 VanDerWaalsContact CA-O 3.3Å; Q49-I61 WeakPolarHBondContact CA-O 3.35Å; V50-I61 PolarHBondContact N-O 3.28Å; V50-I61 PolarHBondContact O-N 2.9Å; V52-I61 HydrophobicContact CG1-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CD1 3.98Å; F59-I61 HydrophobicContact CD2-CG1 4Å; F59-I61 HydrophobicContact CE2-CD1 4.01Å; F59-I61 HydrophobicContact CE2-CG1 3.51Å; F59-I61 HydrophobicContact CZ-CD1 4.4Å; F59-I61 HydrophobicContact CZ-CG1 4.36Å; I61-H65 HydrophobicContact CG2-CB 3.98Å; I61-V96 HydrophobicContact CD1-CG2 3.85Å; I61-V98 HydrophobicContact CD1-CG2 3.82Å; I61-V98 HydrophobicContact CG1-CG2 4.32Å; I61-V98 HydrophobicContact CG2-CG2 4.09Å; I61-V104 HydrophobicContact CD1-CG1 4.15Å; I61-V104 HydrophobicContact CG2-CG2 3.96Å |
| 62 | L | 95 | Very high | 95.4 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | trans | -115.1 | 165.9 | 173.5 | -79.9 | 83.8 | 0 | 0 | 0 | 109.2 | Q49 H65 | Q49-L62 HydrophobicContact CB-CD1 4.39Å; Q49-L62 HydrophobicContact CB-CG 4.23Å; Q49-L62 HydrophobicContact CG-CD1 3.79Å; Q49-L62 HydrophobicContact CG-CG 4.18Å; L62-H65 VanDerWaalsContact O-CB 3.3Å; L62-H65 WeakPolarHBondContact O-CB 3.32Å; L62-H65 PolarHBondContact O-N 3.35Å | ||
| 63 | P | 92.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 141 | 171.3 | -27.8 | 31.2 | 0 | 0 | 0 | 112.8 | P28 M30 R48 H65 | P28-P63 HydrophobicContact CB-CB 3.72Å; P28-P63 HydrophobicContact CB-CG 4.43Å; P28-P63 HydrophobicContact CG-CB 4.22Å; P28-P63 WeakPolarHBondContact O-CG 3.36Å; M30-P63 HydrophobicContact CB-CG 4.48Å; M30-P63 HydrophobicContact CG-CG 4.3Å; R48-P63 WeakPolarHBondContact O-CD 3.4Å; P63-H65 VanDerWaalsContact C-N 3.31Å; P63-H65 PolarHBondContact O-N 3.46Å |
| 64 | A | 91.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 69% | 0.686 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 29.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S102 | A64-S102 PolarHBondContact N-OG 3.41Š|
| 65 | H | 94.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 64 Ų | 64 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 153.3 | 168.9 | -167.7 | -80.8 | 0 | 0 | 0 | 111.9 | I61 L62 P63 V98 | I61-H65 HydrophobicContact CG2-CB 3.98Å; L62-H65 VanDerWaalsContact O-CB 3.3Å; L62-H65 WeakPolarHBondContact O-CB 3.32Å; L62-H65 PolarHBondContact O-N 3.35Å; P63-H65 VanDerWaalsContact C-N 3.31Å; P63-H65 PolarHBondContact O-N 3.46Å; H65-V98 HydrophobicContact CB-CG1 4.26Å |
| 66 | V | 95.3 | Very high | 95.6 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 135.3 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | T68 | V66-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-OG1 3.36Å |
| 67 | P | 96.8 | Very high | 95.9 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 130 | 177.1 | -27.8 | 36.2 | 0 | 0 | 0 | 112 | V98 A100 | P67-V98 CarbonylContact C-O 3.6Å; P67-V98 WeakPolarHBondContact CA-O 3.25Å; P67-V98 WeakPolarHBondContact CB-O 3.2Å; P67-A100 HydrophobicContact CG-CB 3.9Å |
| 68 | T | 96.3 | Very high | 96 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 142.1 | -167.4 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | F59 V66 Q70 V98 | F59-T68 HydrophobicContact CZ-CG2 4.45Å; V66-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-OG1 3.36Å; T68-Q70 HydrophobicContact CG2-CG 3.83Å; T68-V98 PolarHBondContact N-O 3.26Å; T68-V98 PolarHBondContact O-N 3.2Å |
| 69 | L | 96.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 49.4 Ų | 49.4 | 71% | 0.707 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.2 | 171.7 | -72.9 | 170.1 | 0 | 0 | 0 | 108.6 | T97 | L69-T97 HydrophobicContact CD2-CG2 3.43Å; L69-T97 VanDerWaalsContact CD2-CG2 3.43Å; L69-T97 WeakPolarHBondContact CD2-OG1 3.46Å |
| 70 | Q | 97.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.9 | 177.5 | -69.4 | -172.4 | 38.4 | 0 | 0 | 111.6 | T54 T68 S95 V96 | T54-Q70 HydrophobicContact CG2-CB 4Å; T54-Q70 PolarHBondContact OG1-OE1 3.05Å; T68-Q70 HydrophobicContact CG2-CG 3.83Å; Q70-S95 CarbonylContact O-C 3.58Å; Q70-S95 WeakPolarHBondContact O-CA 3.46Å; Q70-V96 HydrophobicContact CB-CG1 3.93Å; Q70-V96 PolarHBondContact N-O 3.47Å; Q70-V96 PolarHBondContact O-N 2.96Å |
| 71 | V | 97.4 | Very high | 95.9 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.2 | 172.3 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | T54 L55 G94 | T54-V71 WeakPolarHBondContact CA-O 3.2Å; T54-V71 VanDerWaalsContact CB-O 3.3Å; T54-V71 WeakPolarHBondContact CB-O 3.36Å; L55-V71 HydrophobicContact CB-CG2 4.25Å; L55-V71 HydrophobicContact CD1-CG2 3.33Å; L55-V71 HydrophobicContact CG-CG2 3.8Å; L55-V71 PolarHBondContact N-O 3.09Å; V71-G94 WeakPolarHBondContact CA-O 3.45Å |
| 72 | L | 96.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 150.6 | -177.6 | -57.5 | 176.9 | 0 | 0 | 0 | 111 | V52 P53 T54 V91 G94 V96 L106 | V52-L72 HydrophobicContact CB-CD2 4.43Å; P53-L72 WeakPolarHBondContact O-CA 3.46Å; P53-L72 WeakPolarHBondContact O-CD2 3.47Å; T54-L72 HydrophobicContact CG2-CD2 4.28Å; L72-V91 HydrophobicContact CD1-CG1 3.84Å; L72-G94 PolarHBondContact N-O 3.26Å; L72-V96 HydrophobicContact CD2-CB 4.12Å; L72-V96 HydrophobicContact CD2-CG1 4.06Å; L72-L106 HydrophobicContact CD1-CD1 4.48Å; L72-L106 HydrophobicContact CD1-CD2 3.76Å; L72-L106 HydrophobicContact CD1-CG 3.96Å |
| 73 | R | 96.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | trans | -108.3 | 150.9 | 171.3 | -176 | -178.5 | -177.2 | -173.3 | 1.8 | 108.7 | P53 L55 G75 E150 | P53-R73 PolarHBondContact O-N 2.97Å; P53-R73 VanDerWaalsContact O-N 3.1Å; L55-R73 HydrophobicContact CD2-CB 4.33Å; L55-R73 HydrophobicContact CD2-CG 4.41Å; R73-G75 PolarHBondContact O-N 3.06Å; R73-G75 VanDerWaalsContact O-N 3.17Å; R73-E150 IonicContact CZ-OE1 2.73Å; R73-E150 IonicContact NE-OE1 2.73Å; R73-E150 PolarHBondContact NE-OE1 3.02Å; R73-E150 IonicContact NH2-OE1 3.99Å; R73-E150 PolarHBondContact NH2-OE1 3.24Å | ||
| 74 | P | 97.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -49.5 | 123.7 | 171.7 | -26.3 | 30.6 | 0 | 0 | 0 | 111.7 | F90 V91 S92 A151 A154 | P74-F90 HydrophobicContact CB-CZ 4.17Å; P74-V91 WeakPolarHBondContact CA-O 3.37Å; P74-S92 VanDerWaalsContact CA-O 3.24Å; P74-S92 WeakPolarHBondContact CA-O 3.43Å; P74-S92 VanDerWaalsContact CD-O 3.25Å; P74-S92 WeakPolarHBondContact CD-O 3.38Å; P74-S92 WeakPolarHBondContact CG-O 3.33Å; P74-S92 VanDerWaalsContact N-O 3.15Å; P74-A151 HydrophobicContact CB-CB 4.25Å; P74-A151 HydrophobicContact CG-CB 4.09Å; P74-A154 HydrophobicContact CB-CB 3.96Å |
| 75 | G | 97.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -172.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R73 F90 V91 | R73-G75 PolarHBondContact O-N 3.06Å; R73-G75 VanDerWaalsContact O-N 3.17Å; G75-F90 WeakPolarHBondContact O-CA 3.25Å; G75-V91 PolarHBondContact N-O 2.73Å; G75-V91 PolarHBondContact O-N 3.05Å |
| 76 | V | 97.5 | Very high | 94.9 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.8 | -176.2 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | K88 Y89 F90 L114 A158 | V76-K88 HydrophobicContact CG1-CB 4.06Å; V76-K88 HydrophobicContact CG1-CD 4.48Å; V76-K88 HydrophobicContact CG1-CG 4.38Å; V76-Y89 CarbonylContact C-O 3.59Å; V76-Y89 WeakPolarHBondContact CA-O 2.94Å; V76-F90 HydrophobicContact CG2-CD2 4.44Å; V76-L114 HydrophobicContact CG1-CD1 4.39Å; V76-L114 HydrophobicContact CG2-CD2 4.24Å; V76-A158 HydrophobicContact CG2-CB 3.41Å; V76-A158 VanDerWaalsContact CG2-CB 3.41Å |
| 77 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 129.7 | 164.3 | 174 | 0 | 0 | 0 | 0 | 108.5 | V50 D51 P53 V79 K88 Y89 V91 L106 | V50-V77 HydrophobicContact CG1-CG1 4.03Å; D51-V77 WeakPolarHBondContact O-CA 3.48Å; P53-V77 HydrophobicContact CG-CG2 4.36Å; V77-V79 HydrophobicContact CG1-CG2 4.2Å; V77-K88 WeakPolarHBondContact O-CA 3.48Å; V77-Y89 PolarHBondContact N-O 3.45Å; V77-Y89 PolarHBondContact O-N 3.22Å; V77-V91 HydrophobicContact CB-CG2 4.29Å; V77-V91 HydrophobicContact CG2-CB 4.3Å; V77-V91 HydrophobicContact CG2-CG2 3.64Å; V77-L106 HydrophobicContact CG1-CD1 4.01Å; V77-L106 HydrophobicContact CG2-CD1 3.96Å; V77-L106 HydrophobicContact CG2-CD2 4.46Å |
| 78 | T | 97.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123 | 174.9 | -53.7 | 0 | 0 | 0 | 0 | 109.7 | V50 D51 F80 A87 K88 | V50-T78 WeakPolarHBondContact CA-O 3.39Å; D51-T78 PolarHBondContact N-O 2.91Å; D51-T78 PolarHBondContact O-N 3.26Å; T78-F80 HydrophobicContact CG2-CD2 4.23Å; T78-F80 HydrophobicContact CG2-CE1 4.11Å; T78-F80 HydrophobicContact CG2-CE2 3.62Å; T78-F80 HydrophobicContact CG2-CZ 3.56Å; T78-A87 WeakPolarHBondContact CA-O 3.26Å; T78-K88 HydrophobicContact CG2-CG 4.11Å |
| 79 | V | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122 | 179 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | F32 F42 V47 V50 V77 S86 A87 Y89 | F32-V79 HydrophobicContact CD1-CG1 4.31Å; F32-V79 HydrophobicContact CE1-CG1 4.16Å; F32-V79 HydrophobicContact CE1-CG2 3.78Å; F32-V79 HydrophobicContact CZ-CG2 4.28Å; F42-V79 HydrophobicContact CE1-CG1 4Å; F42-V79 HydrophobicContact CE2-CB 4.39Å; F42-V79 HydrophobicContact CE2-CG1 4.21Å; F42-V79 HydrophobicContact CE2-CG2 4.1Å; F42-V79 HydrophobicContact CZ-CB 4.19Å; F42-V79 HydrophobicContact CZ-CG1 3.76Å; F42-V79 HydrophobicContact CZ-CG2 4.39Å; V47-V79 HydrophobicContact CG1-CG1 3.58Å; V47-V79 HydrophobicContact CG2-CG1 4.03Å; V50-V79 HydrophobicContact CG1-CG2 4.42Å; V50-V79 HydrophobicContact CG2-CG1 4.43Å; V77-V79 HydrophobicContact CG1-CG2 4.2Å; V79-S86 CarbonylContact O-C 3.56Å; V79-S86 VanDerWaalsContact O-CA 3.25Å; V79-S86 WeakPolarHBondContact O-CA 3.44Å; V79-A87 PolarHBondContact N-O 3Å; V79-A87 PolarHBondContact O-N 3.4Å; V79-Y89 HydrophobicContact CG2-CD2 4.46Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å |
| 80 | F | 95.6 | Very high | 95 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.6 | 176.4 | -62.2 | -86.8 | 0 | 0 | 0 | 110 | V47 R48 Q49 D51 T78 | V47-F80 WeakPolarHBondContact CG1-O 3.47Å; R48-F80 WeakPolarHBondContact CB-O 3.22Å; R48-F80 PolarHBondContact N-O 3.16Å; Q49-F80 HydrophobicContact CB-CB 4.13Å; Q49-F80 HydrophobicContact CB-CD2 3.99Å; Q49-F80 HydrophobicContact CB-CG 4.44Å; Q49-F80 HydrophobicContact CG-CD2 3.93Å; Q49-F80 HydrophobicContact CG-CE2 4.48Å; Q49-F80 PolarHBondContact N-O 3.28Å; Q49-F80 PolarHBondContact O-N 2.79Å; D51-F80 WeakPolarHBondContact OD2-CE2 3.43Å; T78-F80 HydrophobicContact CG2-CD2 4.23Å; T78-F80 HydrophobicContact CG2-CE1 4.11Å; T78-F80 HydrophobicContact CG2-CE2 3.62Å; T78-F80 HydrophobicContact CG2-CZ 3.56Å |
| 81 | N | 91.3 | Very high | 95 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | trans | -77.1 | 165.5 | 178.5 | -63.3 | -42.7 | 0 | 0 | 0 | 111.4 | D83 G84 S85 | N81-D83 WeakPolarHBondContact CB-OD1 3.27Å; N81-D83 PolarHBondContact O-N 2.83Å; N81-G84 PolarHBondContact O-N 2.94Å; N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 PolarHBondContact N-O 2.9Å; N81-S85 PolarHBondContact ND2-OG 3.28Å | ||
| 82 | D | 87.5 | Confident | 94.9 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26 | -179.3 | -71.1 | -31.9 | 0 | 0 | 0 | 113.3 | S46 G84 | S46-D82 PolarHBondContact OG-OD2 3.01Å; D82-G84 PolarHBondContact O-N 3.45Å |
| 83 | D | 87.3 | Confident | 94.9 | Very high | 127 Ų | 127 | 44.9 Ų | 44.9 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.5 | 176.1 | 68.3 | -8.4 | 0 | 0 | 0 | 113.7 | N81 S85 | N81-D83 WeakPolarHBondContact CB-OD1 3.27Å; N81-D83 PolarHBondContact O-N 2.83Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 VanDerWaalsContact CG-OG 3.32Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 2.88Å; D83-S85 PolarHBondContact OD2-OG 3.36Å |
| 84 | G | 85.5 | Confident | 94.9 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 83.4 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N81 D82 | N81-G84 PolarHBondContact O-N 2.94Å; D82-G84 PolarHBondContact O-N 3.45Å |
| 85 | S | 93.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | trans | -70.6 | 151.1 | 170.3 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | N81 D83 | N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 PolarHBondContact N-O 2.9Å; N81-S85 PolarHBondContact ND2-OG 3.28Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 VanDerWaalsContact CG-OG 3.32Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 2.88Å; D83-S85 PolarHBondContact OD2-OG 3.36Å | ||
| 86 | S | 94.8 | Very high | 95 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.7 | 177.2 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | V79 | V79-S86 CarbonylContact O-C 3.56Å; V79-S86 VanDerWaalsContact O-CA 3.25Å; V79-S86 WeakPolarHBondContact O-CA 3.44Å |
| 87 | A | 95.4 | Very high | 95 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | T78 V79 Y89 | T78-A87 WeakPolarHBondContact CA-O 3.26Å; V79-A87 PolarHBondContact N-O 3Å; V79-A87 PolarHBondContact O-N 3.4Å; A87-Y89 HydrophobicContact CB-CE2 3.61Å |
| 88 | K | 97 | Very high | 95 | Very high | 112 Ų | 112 | 40.5 Ų | 40.5 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.4 | -178.1 | -66 | -177.3 | 179.8 | -178.2 | 0 | 110.5 | V76 V77 T78 L114 | V76-K88 HydrophobicContact CG1-CB 4.06Å; V76-K88 HydrophobicContact CG1-CD 4.48Å; V76-K88 HydrophobicContact CG1-CG 4.38Å; V77-K88 WeakPolarHBondContact O-CA 3.48Å; T78-K88 HydrophobicContact CG2-CG 4.11Å; K88-L114 HydrophobicContact CB-CD1 3.55Å; K88-L114 HydrophobicContact CB-CG 4.02Å; K88-L114 HydrophobicContact CD-CD1 3.84Å; K88-L114 HydrophobicContact CG-CD1 4.36Å |
| 89 | Y | 97.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.8 | 179.3 | -56.7 | -92.1 | 0 | 0 | 0 | 108.8 | F34 F41 F42 V76 V77 V79 A87 V112 P113 | F34-Y89 HydrophobicContact CD1-CD2 4.4Å; F34-Y89 HydrophobicContact CE1-CD1 4.09Å; F34-Y89 AromaticContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CD2 3.78Å; F34-Y89 HydrophobicContact CE1-CE2 4.34Å; F34-Y89 AromaticContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CE1-CG 3.64Å; F34-Y89 HydrophobicContact CZ-CG 4.39Å; F41-Y89 AromaticContact CD1-CD1 4Å; F41-Y89 HydrophobicContact CD1-CD1 4Å; F41-Y89 AromaticContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CD1-CE1 3.55Å; F41-Y89 HydrophobicContact CE1-CD1 4.14Å; F41-Y89 HydrophobicContact CE1-CE1 4.02Å; F41-Y89 HydrophobicContact CG-CE1 4.3Å; F42-Y89 AromaticContact CE2-CE2 3.81Å; F42-Y89 HydrophobicContact CE2-CE2 3.81Å; F42-Y89 AromaticContact CE2-CZ 3.99Å; F42-Y89 HydrophobicContact CZ-CE2 4.48Å; V76-Y89 CarbonylContact C-O 3.59Å; V76-Y89 WeakPolarHBondContact CA-O 2.94Å; V77-Y89 PolarHBondContact N-O 3.45Å; V77-Y89 PolarHBondContact O-N 3.22Å; V79-Y89 HydrophobicContact CG2-CD2 4.46Å; V79-Y89 HydrophobicContact CG2-CE2 4.35Å; A87-Y89 HydrophobicContact CB-CE2 3.61Å; Y89-V112 CarbonylContact C-O 3.54Å; Y89-V112 WeakPolarHBondContact CA-O 3.42Å; Y89-P113 HydrophobicContact CD1-CG 4.13Å; Y89-P113 HydrophobicContact CE1-CG 4.07Å |
| 90 | F | 97.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.6 | 163.7 | -170.7 | -91.5 | 0 | 0 | 0 | 108.9 | P74 G75 V76 A111 V112 L114 L117 A154 I155 A158 | P74-F90 HydrophobicContact CB-CZ 4.17Å; G75-F90 WeakPolarHBondContact O-CA 3.25Å; V76-F90 HydrophobicContact CG2-CD2 4.44Å; F90-A111 CarbonylContact O-C 3.53Å; F90-A111 VanDerWaalsContact O-CA 3.3Å; F90-A111 WeakPolarHBondContact O-CA 3.43Å; F90-V112 HydrophobicContact CB-CG2 4.07Å; F90-V112 PolarHBondContact N-O 3.4Å; F90-V112 PolarHBondContact O-N 3.39Å; F90-L114 HydrophobicContact CB-CD2 3.99Å; F90-L117 HydrophobicContact CB-CD1 3.67Å; F90-L117 HydrophobicContact CG-CD1 4.08Å; F90-A154 HydrophobicContact CE2-CB 4.06Å; F90-A154 HydrophobicContact CZ-CB 4.11Å; F90-I155 HydrophobicContact CD1-CG1 4.08Å; F90-I155 HydrophobicContact CD2-CG1 4.28Å; F90-I155 HydrophobicContact CE1-CD1 4.06Å; F90-I155 HydrophobicContact CE1-CG1 3.45Å; F90-I155 VanDerWaalsContact CE1-CG1 3.45Å; F90-I155 HydrophobicContact CE2-CB 4.32Å; F90-I155 HydrophobicContact CE2-CG1 3.69Å; F90-I155 HydrophobicContact CG-CG1 4.46Å; F90-I155 HydrophobicContact CZ-CB 4.29Å; F90-I155 HydrophobicContact CZ-CD1 4.24Å; F90-I155 HydrophobicContact CZ-CG1 3.24Å; F90-A158 HydrophobicContact CD2-CB 3.95Å; F90-A158 HydrophobicContact CE2-CB 4.35Å |
| 91 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | 177 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | F34 L72 P74 G75 V77 S93 A108 E110 A111 | F34-V91 HydrophobicContact CE2-CG2 4.23Å; F34-V91 HydrophobicContact CZ-CG2 3.86Å; L72-V91 HydrophobicContact CD1-CG1 3.84Å; P74-V91 WeakPolarHBondContact CA-O 3.37Å; G75-V91 PolarHBondContact N-O 2.73Å; G75-V91 PolarHBondContact O-N 3.05Å; V77-V91 HydrophobicContact CB-CG2 4.29Å; V77-V91 HydrophobicContact CG2-CB 4.3Å; V77-V91 HydrophobicContact CG2-CG2 3.64Å; V91-S93 WeakPolarHBondContact CG1-O 3.3Å; V91-A108 HydrophobicContact CB-CB 4.47Å; V91-A108 HydrophobicContact CG1-CB 3.52Å; V91-A108 HydrophobicContact CG2-CB 4.22Å; V91-E110 WeakPolarHBondContact CA-O 3.36Å; V91-A111 HydrophobicContact CG2-CB 4.21Å |
| 92 | S | 95.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | trans | -78.5 | -61.2 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | P74 E110 | P74-S92 VanDerWaalsContact CA-O 3.24Å; P74-S92 WeakPolarHBondContact CA-O 3.43Å; P74-S92 VanDerWaalsContact CD-O 3.25Å; P74-S92 WeakPolarHBondContact CD-O 3.38Å; P74-S92 WeakPolarHBondContact CG-O 3.33Å; P74-S92 VanDerWaalsContact N-O 3.15Å; S92-E110 PolarHBondContact N-O 3.24Å; S92-E110 WeakPolarHBondContact OG-CB 3.44Å; S92-E110 PolarHBondContact OG-N 3.02Å; S92-E110 VanDerWaalsContact OG-N 3.1Å; S92-E110 PolarHBondContact OG-O 2.92Å | ||
| 93 | S | 96.2 | Very high | 95 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -150.8 | 174.3 | -176.8 | 89.9 | 0 | 0 | 0 | 0 | 108.7 | V91 A108 E109 | V91-S93 WeakPolarHBondContact CG1-O 3.3Å; S93-A108 CarbonylContact O-C 3.53Å; S93-A108 VanDerWaalsContact O-CA 3.27Å; S93-A108 WeakPolarHBondContact O-CA 3.32Å; S93-E109 PolarHBondContact O-N 2.96Å; S93-E109 VanDerWaalsContact OG-CB 3.24Å; S93-E109 WeakPolarHBondContact OG-CB 3.34Å; S93-E109 PolarHBondContact OG-OE2 2.92Å |
| 94 | G | 97.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -155.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V71 L72 L107 | V71-G94 WeakPolarHBondContact CA-O 3.45Å; L72-G94 PolarHBondContact N-O 3.26Å; G94-L107 CarbonylContact C-O 3.6Å; G94-L107 WeakPolarHBondContact CA-O 3.48Å |
| 95 | S | 97.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.1 | 176.1 | 66 | 0 | 0 | 0 | 0 | 112.2 | Q70 L107 | Q70-S95 CarbonylContact O-C 3.58Å; Q70-S95 WeakPolarHBondContact O-CA 3.46Å; S95-L107 PolarHBondContact N-O 2.63Å; S95-L107 PolarHBondContact O-N 2.73Å |
| 96 | V | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.1 | 169.3 | 61.8 | 0 | 0 | 0 | 0 | 109.3 | V52 T54 I61 Q70 L72 V104 Q105 | V52-V96 HydrophobicContact CG2-CG1 4.46Å; T54-V96 HydrophobicContact CG2-CG1 4.26Å; I61-V96 HydrophobicContact CD1-CG2 3.85Å; Q70-V96 HydrophobicContact CB-CG1 3.93Å; Q70-V96 PolarHBondContact N-O 3.47Å; Q70-V96 PolarHBondContact O-N 2.96Å; L72-V96 HydrophobicContact CD2-CB 4.12Å; L72-V96 HydrophobicContact CD2-CG1 4.06Å; V96-V104 HydrophobicContact CG2-CG1 4.21Å; V96-Q105 CarbonylContact C-O 3.59Å; V96-Q105 WeakPolarHBondContact CA-O 3.24Å |
| 97 | T | 97.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.7 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | L69 V104 Q105 | L69-T97 HydrophobicContact CD2-CG2 3.43Å; L69-T97 VanDerWaalsContact CD2-CG2 3.43Å; L69-T97 WeakPolarHBondContact CD2-OG1 3.46Å; T97-V104 CarbonylContact O-C 3.51Å; T97-V104 VanDerWaalsContact O-CA 3.29Å; T97-V104 WeakPolarHBondContact O-CA 3.39Å; T97-Q105 PolarHBondContact N-O 3.5Å; T97-Q105 PolarHBondContact O-N 3.17Å |
| 98 | V | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.6 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | I61 H65 P67 T68 V104 | I61-V98 HydrophobicContact CD1-CG2 3.82Å; I61-V98 HydrophobicContact CG1-CG2 4.32Å; I61-V98 HydrophobicContact CG2-CG2 4.09Å; H65-V98 HydrophobicContact CB-CG1 4.26Å; P67-V98 CarbonylContact C-O 3.6Å; P67-V98 WeakPolarHBondContact CA-O 3.25Å; P67-V98 WeakPolarHBondContact CB-O 3.2Å; T68-V98 PolarHBondContact N-O 3.26Å; T68-V98 PolarHBondContact O-N 3.2Å; V98-V104 HydrophobicContact CB-CG2 4.4Å; V98-V104 HydrophobicContact CG1-CG2 4.1Å; V98-V104 HydrophobicContact CG2-CG1 4.21Å; V98-V104 HydrophobicContact CG2-CG2 4.06Å |
| 99 | N | 96.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -98.9 | 166.7 | -179.3 | -64.5 | -51.4 | 0 | 0 | 0 | 111.8 | D101 S102 S103 | N99-D101 WeakPolarHBondContact CB-OD1 3.45Å; N99-D101 PolarHBondContact O-N 3.45Å; N99-S102 PolarHBondContact O-N 2.9Å; N99-S103 WeakPolarHBondContact CB-OG 3.32Å; N99-S103 PolarHBondContact N-O 2.94Å; N99-S103 PolarHBondContact ND2-OG 2.92Å | ||
| 100 | A | 93.6 | Very high | 96.5 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 75% | 0.752 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P67 S102 | P67-A100 HydrophobicContact CG-CB 3.9Å; A100-S102 PolarHBondContact O-N 3.49Å |
| 101 | D | 92.3 | Very high | 96.4 | Very high | 120 Ų | 120 | 43.5 Ų | 43.5 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 9.7 | 175.3 | 64.1 | -2.3 | 0 | 0 | 0 | 113.2 | N99 S103 | N99-D101 WeakPolarHBondContact CB-OD1 3.45Å; N99-D101 PolarHBondContact O-N 3.45Å; D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact OD1-CB 3.27Å; D101-S103 WeakPolarHBondContact OD1-CB 3.32Å; D101-S103 PolarHBondContact OD1-N 2.8Å; D101-S103 PolarHBondContact OD1-OG 2.79Å; D101-S103 PolarHBondContact OD2-OG 3.04Å |
| 102 | S | 91.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 63.4 | 17.9 | -173.5 | -54.2 | 0 | 0 | 0 | 0 | 114.7 | M30 S31 A64 N99 A100 | M30-S102 WeakPolarHBondContact CA-O 3.49Å; M30-S102 WeakPolarHBondContact CB-O 3.46Å; S31-S102 PolarHBondContact N-O 3.03Å; A64-S102 PolarHBondContact N-OG 3.41Å; N99-S102 PolarHBondContact O-N 2.9Å; A100-S102 PolarHBondContact O-N 3.49Å |
| 103 | S | 95.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 136.4 | 164 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | S31 N99 D101 | S31-S103 CarbonylContact O-C 3.59Å; S31-S103 WeakPolarHBondContact O-CA 3.25Å; N99-S103 WeakPolarHBondContact CB-OG 3.32Å; N99-S103 PolarHBondContact N-O 2.94Å; N99-S103 PolarHBondContact ND2-OG 2.92Å; D101-S103 PolarHBondContact O-N 3.36Å; D101-S103 VanDerWaalsContact OD1-CB 3.27Å; D101-S103 WeakPolarHBondContact OD1-CB 3.32Å; D101-S103 PolarHBondContact OD1-N 2.8Å; D101-S103 PolarHBondContact OD1-OG 2.79Å; D101-S103 PolarHBondContact OD2-OG 3.04Å |
| 104 | V | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.3 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | M30 S31 F32 T33 I61 V96 T97 V98 | M30-V104 HydrophobicContact CE-CB 3.54Å; M30-V104 HydrophobicContact CE-CG1 3.99Å; M30-V104 HydrophobicContact CE-CG2 3.36Å; M30-V104 HydrophobicContact SD-CG2 4.45Å; S31-V104 PolarHBondContact O-N 3.48Å; F32-V104 WeakPolarHBondContact CA-O 3.49Å; F32-V104 HydrophobicContact CD2-CB 4.04Å; F32-V104 HydrophobicContact CD2-CG1 3.89Å; F32-V104 HydrophobicContact CE2-CG1 4.1Å; T33-V104 PolarHBondContact N-O 2.84Å; I61-V104 HydrophobicContact CD1-CG1 4.15Å; I61-V104 HydrophobicContact CG2-CG2 3.96Å; V96-V104 HydrophobicContact CG2-CG1 4.21Å; T97-V104 CarbonylContact O-C 3.51Å; T97-V104 VanDerWaalsContact O-CA 3.29Å; T97-V104 WeakPolarHBondContact O-CA 3.39Å; V98-V104 HydrophobicContact CB-CG2 4.4Å; V98-V104 HydrophobicContact CG1-CG2 4.1Å; V98-V104 HydrophobicContact CG2-CG1 4.21Å; V98-V104 HydrophobicContact CG2-CG2 4.06Å |
| 105 | Q | 98 | Very high | 96.2 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.1 | 179.5 | -61.2 | 174.9 | 35.4 | 0 | 0 | 108.6 | T33 V96 T97 | T33-Q105 CarbonylContact O-C 3.59Å; T33-Q105 WeakPolarHBondContact O-CA 3.23Å; V96-Q105 CarbonylContact C-O 3.59Å; V96-Q105 WeakPolarHBondContact CA-O 3.24Å; T97-Q105 PolarHBondContact N-O 3.5Å; T97-Q105 PolarHBondContact O-N 3.17Å |
| 106 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.4 | 171.8 | -164.5 | 149.7 | 0 | 0 | 0 | 107.8 | F32 T33 F34 A35 V52 L72 V77 A108 | F32-L106 HydrophobicContact CE2-CB 3.86Å; F32-L106 HydrophobicContact CZ-CB 4.07Å; F32-L106 HydrophobicContact CZ-CD1 4.49Å; T33-L106 PolarHBondContact O-N 3.35Å; F34-L106 VanDerWaalsContact CA-O 3.3Å; F34-L106 WeakPolarHBondContact CA-O 3.45Å; F34-L106 HydrophobicContact CB-CB 4.49Å; F34-L106 HydrophobicContact CD2-CB 4.19Å; F34-L106 HydrophobicContact CD2-CD2 3.28Å; F34-L106 HydrophobicContact CD2-CG 4.3Å; F34-L106 WeakPolarHBondContact CD2-O 3.19Å; F34-L106 HydrophobicContact CE2-CD2 3.27Å; F34-L106 HydrophobicContact CG-CD2 4.18Å; F34-L106 HydrophobicContact CZ-CD2 4.14Å; A35-L106 PolarHBondContact N-O 3.37Å; A35-L106 VanDerWaalsContact N-O 3.11Å; V52-L106 HydrophobicContact CB-CD1 4.37Å; V52-L106 HydrophobicContact CG1-CD1 3.42Å; V52-L106 VanDerWaalsContact CG1-CD1 3.42Å; L72-L106 HydrophobicContact CD1-CD1 4.48Å; L72-L106 HydrophobicContact CD1-CD2 3.76Å; L72-L106 HydrophobicContact CD1-CG 3.96Å; V77-L106 HydrophobicContact CG1-CD1 4.01Å; V77-L106 HydrophobicContact CG2-CD1 3.96Å; V77-L106 HydrophobicContact CG2-CD2 4.46Å; L106-A108 HydrophobicContact CD2-CB 4.42Å |
| 107 | L | 98.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 105.3 | -178 | -59.8 | -179.5 | 0 | 0 | 0 | 107.8 | A35 G94 S95 | A35-L107 HydrophobicContact CB-CD2 4.19Å; A35-L107 WeakPolarHBondContact O-CA 3.45Å; G94-L107 CarbonylContact C-O 3.6Å; G94-L107 WeakPolarHBondContact CA-O 3.48Å; S95-L107 PolarHBondContact N-O 2.63Å; S95-L107 PolarHBondContact O-N 2.73Å |
| 108 | A | 97.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F34 A35 S36 P37 V91 S93 L106 A111 | F34-A108 HydrophobicContact CE2-CB 3.86Å; A35-A108 PolarHBondContact O-N 3.36Å; S36-A108 VanDerWaalsContact CA-O 3.27Å; S36-A108 WeakPolarHBondContact CA-O 3.48Å; P37-A108 WeakPolarHBondContact CD-O 3.45Å; V91-A108 HydrophobicContact CB-CB 4.47Å; V91-A108 HydrophobicContact CG1-CB 3.52Å; V91-A108 HydrophobicContact CG2-CB 4.22Å; S93-A108 CarbonylContact O-C 3.53Å; S93-A108 VanDerWaalsContact O-CA 3.27Å; S93-A108 WeakPolarHBondContact O-CA 3.32Å; L106-A108 HydrophobicContact CD2-CB 4.42Å; A108-A111 HydrophobicContact CB-CB 3.94Å |
| 109 | E | 96.5 | Very high | 95.4 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 59% | 0.593 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -72.2 | -50.1 | 169.9 | -174.5 | 170.3 | -170.3 | 0 | 0 | 110.7 | P37 S93 | P37-E109 VanDerWaalsContact CD-O 3.24Å; P37-E109 WeakPolarHBondContact CD-O 3.36Å; S93-E109 PolarHBondContact O-N 2.96Å; S93-E109 VanDerWaalsContact OG-CB 3.24Å; S93-E109 WeakPolarHBondContact OG-CB 3.34Å; S93-E109 PolarHBondContact OG-OE2 2.92Å |
| 110 | E | 95.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 63.4 Ų | 63.4 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -129.5 | 139.2 | 167.5 | -55.6 | -173.4 | 154.6 | 0 | 0 | 109.8 | V91 S92 | V91-E110 WeakPolarHBondContact CA-O 3.36Å; S92-E110 PolarHBondContact N-O 3.24Å; S92-E110 WeakPolarHBondContact OG-CB 3.44Å; S92-E110 PolarHBondContact OG-N 3.02Å; S92-E110 VanDerWaalsContact OG-N 3.1Å; S92-E110 PolarHBondContact OG-O 2.92Å |
| 111 | A | 96.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | F34 F41 F90 V91 A108 | F34-A111 HydrophobicContact CE2-CB 3.84Å; F34-A111 HydrophobicContact CZ-CB 3.48Å; F34-A111 VanDerWaalsContact CZ-CB 3.48Å; F41-A111 HydrophobicContact CD2-CB 4.4Å; F41-A111 HydrophobicContact CE2-CB 3.57Å; F41-A111 HydrophobicContact CZ-CB 3.87Å; F41-A111 WeakPolarHBondContact CZ-O 3.48Å; F90-A111 CarbonylContact O-C 3.53Å; F90-A111 VanDerWaalsContact O-CA 3.3Å; F90-A111 WeakPolarHBondContact O-CA 3.43Å; V91-A111 HydrophobicContact CG2-CB 4.21Å; A108-A111 HydrophobicContact CB-CB 3.94Å |
| 112 | V | 96.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.4 | -179.9 | -65.1 | 0 | 0 | 0 | 0 | 111 | Y89 F90 L117 | Y89-V112 CarbonylContact C-O 3.54Å; Y89-V112 WeakPolarHBondContact CA-O 3.42Å; F90-V112 HydrophobicContact CB-CG2 4.07Å; F90-V112 PolarHBondContact N-O 3.4Å; F90-V112 PolarHBondContact O-N 3.39Å; V112-L117 HydrophobicContact CG2-CD1 4.03Å; V112-L117 HydrophobicContact CG2-CD2 3.71Å; V112-L117 HydrophobicContact CG2-CG 3.84Å |
| 113 | P | 96.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 145.4 | 165.8 | -27.7 | 38.9 | 0 | 0 | 0 | 112 | Y89 D115 Q116 | Y89-P113 HydrophobicContact CD1-CG 4.13Å; Y89-P113 HydrophobicContact CE1-CG 4.07Å; P113-D115 WeakPolarHBondContact CB-OD1 3.43Å; P113-D115 PolarHBondContact O-N 2.6Å; P113-Q116 HydrophobicContact CB-CG 4.35Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-Q116 VanDerWaalsContact O-N 3.15Å |
| 114 | L | 94.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -64.2 | -26.9 | -176.5 | -65.3 | -177.7 | 0 | 0 | 0 | 113.8 | V76 K88 F90 Q116 L117 A158 | V76-L114 HydrophobicContact CG1-CD1 4.39Å; V76-L114 HydrophobicContact CG2-CD2 4.24Å; K88-L114 HydrophobicContact CB-CD1 3.55Å; K88-L114 HydrophobicContact CB-CG 4.02Å; K88-L114 HydrophobicContact CD-CD1 3.84Å; K88-L114 HydrophobicContact CG-CD1 4.36Å; F90-L114 HydrophobicContact CB-CD2 3.99Å; L114-Q116 PolarHBondContact O-N 2.91Å; L114-L117 HydrophobicContact CD2-CD1 4.18Å; L114-L117 PolarHBondContact O-N 3.28Å; L114-A158 HydrophobicContact CD2-CB 4.31Å |
| 115 | D | 94.2 | Very high | 95.6 | Very high | 142 Ų | 142 | 64 Ų | 64 | 76% | 0.759 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -71.5 | -13 | 178 | 62.1 | -34.4 | 0 | 0 | 0 | 113.7 | P113 | P113-D115 WeakPolarHBondContact CB-OD1 3.43Å; P113-D115 PolarHBondContact O-N 2.6Å |
| 116 | Q | 93.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -93.4 | -3.2 | 177 | -61.8 | -177.3 | 17.5 | 0 | 0 | 113.3 | P113 L114 | P113-Q116 HydrophobicContact CB-CG 4.35Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-Q116 VanDerWaalsContact O-N 3.15Å; L114-Q116 PolarHBondContact O-N 2.91Å |
| 117 | L | 93.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | trans | -95.7 | 137.8 | -178.3 | -70.3 | 172.4 | 0 | 0 | 0 | 111.6 | F90 V112 L114 I155 L159 | F90-L117 HydrophobicContact CB-CD1 3.67Å; F90-L117 HydrophobicContact CG-CD1 4.08Å; V112-L117 HydrophobicContact CG2-CD1 4.03Å; V112-L117 HydrophobicContact CG2-CD2 3.71Å; V112-L117 HydrophobicContact CG2-CG 3.84Å; L114-L117 HydrophobicContact CD2-CD1 4.18Å; L114-L117 PolarHBondContact O-N 3.28Å; L117-I155 HydrophobicContact CD1-CG2 4.36Å; L117-L159 HydrophobicContact CB-CD1 3.71Å; L117-L159 HydrophobicContact CB-CD2 3.79Å; L117-L159 HydrophobicContact CB-CG 4.33Å; L117-L159 HydrophobicContact CD1-CD1 4.48Å; L117-L159 HydrophobicContact CD1-CD2 4.16Å | ||
| 118 | D | 94.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 69.9 Ų | 69.9 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -102.8 | 119 | 174.6 | 177.3 | 15 | 0 | 0 | 0 | 111.2 | A120 A121 A122 | D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.36Å; D118-A120 WeakPolarHBondContact OD1-CB 3.17Å; D118-A120 PolarHBondContact OD1-N 3.05Å; D118-A121 HydrophobicContact CB-CB 4.03Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 PolarHBondContact OD2-N 3.1Å; D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 2.89Å | ||
| 119 | V | 93.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 178.3 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | A122 K123 L159 | V119-A122 PolarHBondContact O-N 3.05Å; V119-K123 HydrophobicContact CG1-CD 4.23Å; V119-K123 HydrophobicContact CG1-CG 4.48Å; V119-K123 WeakPolarHBondContact O-CG 3.27Å; V119-K123 PolarHBondContact O-N 3.36Å; V119-L159 HydrophobicContact CB-CD1 4.39Å; V119-L159 HydrophobicContact CG2-CB 3.59Å; V119-L159 HydrophobicContact CG2-CD1 3.8Å; V119-L159 HydrophobicContact CG2-CG 4.24Å |
| 120 | A | 94.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 68 Ų | 68 | 55% | 0.554 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.5 | -44.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D118 K123 A124 | D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.36Å; D118-A120 WeakPolarHBondContact OD1-CB 3.17Å; D118-A120 PolarHBondContact OD1-N 3.05Å; A120-K123 PolarHBondContact O-N 2.89Å; A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 2.77Å |
| 121 | A | 94.6 | Very high | 95 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D118 K123 A124 N125 | D118-A121 HydrophobicContact CB-CB 4.03Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 PolarHBondContact OD2-N 3.1Å; A121-K123 PolarHBondContact O-N 2.75Å; A121-A124 PolarHBondContact O-N 2.95Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 VanDerWaalsContact O-CG 3.23Å; A121-N125 PolarHBondContact O-N 2.83Å; A121-N125 PolarHBondContact O-ND2 2.84Å |
| 122 | A | 94 | Very high | 94.9 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D118 V119 N125 L126 I155 V156 | D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 2.89Å; V119-A122 PolarHBondContact O-N 3.05Å; A122-N125 PolarHBondContact O-N 3.1Å; A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 PolarHBondContact O-N 3.02Å; A122-I155 HydrophobicContact CB-CB 4.3Å; A122-I155 HydrophobicContact CB-CG2 3.55Å; A122-V156 HydrophobicContact CB-CG2 3.86Å |
| 123 | K | 95.8 | Very high | 94.6 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 176.6 | -72.7 | -177.5 | 177.5 | -172.9 | 0 | 112.2 | V119 A120 A121 N125 L126 E127 V156 E160 | V119-K123 HydrophobicContact CG1-CD 4.23Å; V119-K123 HydrophobicContact CG1-CG 4.48Å; V119-K123 WeakPolarHBondContact O-CG 3.27Å; V119-K123 PolarHBondContact O-N 3.36Å; A120-K123 PolarHBondContact O-N 2.89Å; A121-K123 PolarHBondContact O-N 2.75Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.15Å; K123-L126 WeakPolarHBondContact O-CB 3.44Å; K123-L126 PolarHBondContact O-N 2.94Å; K123-E127 WeakPolarHBondContact O-CG 3.27Å; K123-E127 PolarHBondContact O-N 3.44Å; K123-V156 HydrophobicContact CG-CG1 4.19Å; K123-V156 HydrophobicContact CG-CG2 3.78Å; K123-E160 VanDerWaalsContact CE-OE1 3.25Å; K123-E160 WeakPolarHBondContact CE-OE1 3.15Å; K123-E160 IonicContact NZ-OE1 3.06Å; K123-E160 PolarHBondContact NZ-OE1 3.44Å |
| 124 | A | 96.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 72.5 Ų | 72.5 | 44% | 0.438 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A120 A121 K128 | A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 2.77Å; A121-A124 PolarHBondContact O-N 2.95Å; A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 PolarHBondContact O-N 2.77Å |
| 125 | N | 95.8 | Very high | 93.7 | Very high | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 176.3 | -72.3 | -20.9 | 0 | 0 | 0 | 112.2 | A121 A122 K123 K128 A129 N152 | A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 VanDerWaalsContact O-CG 3.23Å; A121-N125 PolarHBondContact O-N 2.83Å; A121-N125 PolarHBondContact O-ND2 2.84Å; A122-N125 PolarHBondContact O-N 3.1Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.15Å; N125-K128 PolarHBondContact O-N 3.29Å; N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 2.8Å; N125-N152 WeakPolarHBondContact CB-OD1 3.39Å |
| 126 | L | 95.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 174.3 | -175.9 | 169.8 | 0 | 0 | 0 | 110.9 | A122 K123 K128 A129 Q130 N152 E153 V156 | A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 PolarHBondContact O-N 3.02Å; K123-L126 WeakPolarHBondContact O-CB 3.44Å; K123-L126 PolarHBondContact O-N 2.94Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.22Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-A129 VanDerWaalsContact O-N 3.16Å; L126-Q130 HydrophobicContact CD2-CG 3.94Å; L126-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.3Å; L126-Q130 PolarHBondContact O-N 2.62Å; L126-N152 HydrophobicContact CB-CB 3.94Å; L126-E153 HydrophobicContact CD1-CG 3.73Å; L126-E153 HydrophobicContact CG-CG 4.19Å; L126-V156 HydrophobicContact CD1-CG2 4.06Å |
| 127 | E | 96.2 | Very high | 93.2 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.6 | -39.8 | 179.4 | -72.3 | 175.7 | -175 | 0 | 0 | 111.9 | K123 S131 | K123-E127 WeakPolarHBondContact O-CG 3.27Å; K123-E127 PolarHBondContact O-N 3.44Å; E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.35Å |
| 128 | K | 95.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 68.7 Ų | 68.7 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.6 | -48.9 | 174.4 | -177.8 | -176.8 | 173.3 | -169.4 | 0 | 111.4 | A124 N125 L126 Q130 S131 E132 | A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 PolarHBondContact O-N 2.77Å; N125-K128 PolarHBondContact O-N 3.29Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.22Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 2.82Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.3Å; K128-S131 VanDerWaalsContact O-N 3.15Å; K128-E132 VanDerWaalsContact CE-OE1 3.22Å; K128-E132 WeakPolarHBondContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 2.81Å |
| 129 | A | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N125 L126 S131 E132 L133 V145 I149 | N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 2.8Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-A129 VanDerWaalsContact O-N 3.16Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.11Å; A129-E132 PolarHBondContact O-N 3.26Å; A129-L133 PolarHBondContact O-N 3Å; A129-V145 WeakPolarHBondContact O-CG1 3.47Å; A129-I149 HydrophobicContact CB-CG1 3.68Å |
| 130 | Q | 94.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.8 | -73.8 | -177.9 | -13.8 | 0 | 0 | 112.5 | L126 K128 L133 I149 | L126-Q130 HydrophobicContact CD2-CG 3.94Å; L126-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.3Å; L126-Q130 PolarHBondContact O-N 2.62Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 2.82Å; Q130-L133 WeakPolarHBondContact O-CB 3.19Å; Q130-L133 PolarHBondContact O-N 3.38Å; Q130-I149 HydrophobicContact CG-CD1 4.17Å; Q130-I149 HydrophobicContact CG-CG1 4.23Å; Q130-I149 HydrophobicContact CG-CG2 4.44Å |
| 131 | S | 94.1 | Very high | 93.1 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 62% | 0.622 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | E127 K128 A129 L133 A134 | E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.35Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.3Å; K128-S131 VanDerWaalsContact O-N 3.15Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.11Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 2.92Å; S131-A134 PolarHBondContact O-N 3.11Å |
| 132 | E | 93.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 78.4 Ų | 78.4 | 29% | 0.29 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -29.9 | 175.8 | -72.6 | -179.3 | -160.6 | 0 | 0 | 112.7 | K128 A129 A134 G135 A136 R141 V145 | K128-E132 VanDerWaalsContact CE-OE1 3.22Å; K128-E132 WeakPolarHBondContact CE-OE1 3.24Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 2.81Å; A129-E132 PolarHBondContact O-N 3.26Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.05Å; E132-G135 PolarHBondContact O-N 3.34Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-R141 IonicContact OE2-NH2 2.74Å; E132-R141 PolarHBondContact OE2-NH2 3.26Å; E132-V145 HydrophobicContact CB-CG1 4.25Å; E132-V145 HydrophobicContact CB-CG2 4.32Å |
| 133 | L | 91.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 80.3 Ų | 80.3 | 32% | 0.319 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | -179.4 | -173.2 | 64.2 | 0 | 0 | 0 | 112.1 | A129 Q130 S131 G135 A136 V145 Q146 I149 | A129-L133 PolarHBondContact O-N 3Å; Q130-L133 WeakPolarHBondContact O-CB 3.19Å; Q130-L133 PolarHBondContact O-N 3.38Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 2.92Å; L133-G135 PolarHBondContact O-N 2.88Å; L133-A136 PolarHBondContact O-N 2.87Å; L133-V145 HydrophobicContact CB-CG1 3.8Å; L133-V145 HydrophobicContact CD1-CB 4.3Å; L133-V145 HydrophobicContact CD1-CG1 3.99Å; L133-V145 HydrophobicContact CG-CG1 4.5Å; L133-Q146 HydrophobicContact CD1-CG 4.09Å; L133-I149 HydrophobicContact CB-CD1 4.11Å; L133-I149 HydrophobicContact CD2-CD1 3.89Å; L133-I149 HydrophobicContact CG-CD1 4.44Å |
| 134 | A | 85.8 | Confident | 93.2 | Very high | 98 Ų | 98 | 81 Ų | 81 | 81% | 0.81 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S131 E132 | S131-A134 PolarHBondContact O-N 3.11Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.05Å |
| 135 | G | 85.4 | Confident | 93.1 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -5.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E132 L133 A137 | E132-G135 PolarHBondContact O-N 3.34Å; L133-G135 PolarHBondContact O-N 2.88Å; G135-A137 PolarHBondContact O-N 2.95Å |
| 136 | A | 88.4 | Confident | 93.1 | Very high | 15 Ų | 15 | 80 Ų | 80 | 12% | 0.124 | 45% | 0.449 | C | S | . | . | trans | -80.9 | 104.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E132 L133 R141 R142 | E132-A136 PolarHBondContact O-N 2.93Å; L133-A136 PolarHBondContact O-N 2.87Å; A136-R141 HydrophobicContact CB-CB 4.43Å; A136-R141 HydrophobicContact CB-CG 4.05Å; A136-R142 HydrophobicContact CB-CB 4.45Å; A136-R142 HydrophobicContact CB-CG 3.52Å; A136-R142 WeakPolarHBondContact O-CD 3.19Å; A136-R142 WeakPolarHBondContact O-CG 3.15Å; A136-R142 PolarHBondContact O-NE 2.87Å | ||
| 137 | A | 87.3 | Confident | 93.1 | Very high | 78 Ų | 78 | 83.9 Ų | 83.9 | 65% | 0.645 | 47% | 0.468 | S | S | * | . | trans | -76.7 | -45.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G135 R142 | G135-A137 PolarHBondContact O-N 2.95Å; A137-R142 PolarHBondContact O-NE 3.17Å; A137-R142 PolarHBondContact O-NH2 3.34Å | ||
| 138 | D | 94.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 81.3 Ų | 81.3 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -84.5 | 149.9 | -174.2 | -58.2 | -34.7 | 0 | 0 | 0 | 112.1 | R141 R142 | D138-R141 HydrophobicContact CB-CB 4.39Å; D138-R141 PolarHBondContact O-N 2.83Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 2.9Å |
| 139 | E | 93.5 | Very high | 93.1 | Very high | 162 Ų | 162 | 75.9 Ų | 75.9 | 76% | 0.757 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 179.6 | -176.1 | 175.8 | -175.9 | 0 | 0 | 112 | R141 R142 A143 | E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 2.93Å; E139-R142 PolarHBondContact O-N 3.11Å; E139-A143 PolarHBondContact O-N 3.28Å |
| 140 | A | 93.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 78.6 Ų | 78.6 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.9 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R142 A143 E144 | A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.04Å; A140-A143 PolarHBondContact O-N 2.83Å; A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 3.41Å |
| 141 | R | 93.6 | Very high | 93.2 | Very high | 112 Ų | 112 | 75.4 Ų | 75.4 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 178.5 | -172.2 | 60.6 | -172.1 | 158.8 | 5.6 | 111.9 | E132 A136 D138 E139 A143 E144 V145 | E132-R141 IonicContact OE2-NH2 2.74Å; E132-R141 PolarHBondContact OE2-NH2 3.26Å; A136-R141 HydrophobicContact CB-CB 4.43Å; A136-R141 HydrophobicContact CB-CG 4.05Å; D138-R141 HydrophobicContact CB-CB 4.39Å; D138-R141 PolarHBondContact O-N 2.83Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 2.93Å; R141-A143 VanDerWaalsContact C-N 3.35Å; R141-E144 WeakPolarHBondContact CD-OE2 3.3Å; R141-E144 IonicContact CZ-OE2 3.28Å; R141-E144 IonicContact NE-OE2 3.74Å; R141-E144 IonicContact NH1-OE2 2.63Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.04Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.37Å; R141-V145 PolarHBondContact O-N 2.9Å |
| 142 | R | 95.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 71.7 Ų | 71.7 | 45% | 0.445 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 173.2 | -80.1 | -176.9 | -91.4 | 165.5 | -9.2 | 111.9 | A136 A137 D138 E139 A140 V145 Q146 | A136-R142 HydrophobicContact CB-CB 4.45Å; A136-R142 HydrophobicContact CB-CG 3.52Å; A136-R142 WeakPolarHBondContact O-CD 3.19Å; A136-R142 WeakPolarHBondContact O-CG 3.15Å; A136-R142 PolarHBondContact O-NE 2.87Å; A137-R142 PolarHBondContact O-NE 3.17Å; A137-R142 PolarHBondContact O-NH2 3.34Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 2.9Å; E139-R142 PolarHBondContact O-N 3.11Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 3.04Å; R142-V145 PolarHBondContact O-N 2.85Å; R142-Q146 WeakPolarHBondContact O-CB 3.45Å; R142-Q146 VanDerWaalsContact O-CG 3.26Å; R142-Q146 WeakPolarHBondContact O-CG 3.34Å; R142-Q146 PolarHBondContact O-N 3.45Å |
| 143 | A | 95.7 | Very high | 93.4 | Very high | 44 Ų | 44 | 73 Ų | 73 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E139 A140 R141 V145 Q146 I147 | E139-A143 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 2.83Å; R141-A143 VanDerWaalsContact C-N 3.35Å; A143-V145 PolarHBondContact O-N 2.86Å; A143-Q146 PolarHBondContact O-N 3.2Å; A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.26Å |
| 144 | E | 94.4 | Very high | 93.7 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.1 | -71.6 | 171.8 | -175.2 | 0 | 0 | 112.2 | A140 R141 Q146 I147 N148 | A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 3.41Å; R141-E144 WeakPolarHBondContact CD-OE2 3.3Å; R141-E144 IonicContact CZ-OE2 3.28Å; R141-E144 IonicContact NE-OE2 3.74Å; R141-E144 IonicContact NH1-OE2 2.63Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.04Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.88Å; E144-I147 PolarHBondContact O-N 2.81Å; E144-N148 PolarHBondContact O-N 2.83Å |
| 145 | V | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | A129 E132 L133 R141 R142 A143 N148 I149 | A129-V145 WeakPolarHBondContact O-CG1 3.47Å; E132-V145 HydrophobicContact CB-CG1 4.25Å; E132-V145 HydrophobicContact CB-CG2 4.32Å; L133-V145 HydrophobicContact CB-CG1 3.8Å; L133-V145 HydrophobicContact CD1-CB 4.3Å; L133-V145 HydrophobicContact CD1-CG1 3.99Å; L133-V145 HydrophobicContact CG-CG1 4.5Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.37Å; R141-V145 PolarHBondContact O-N 2.9Å; R142-V145 PolarHBondContact O-N 2.85Å; A143-V145 PolarHBondContact O-N 2.86Å; V145-N148 WeakPolarHBondContact O-CB 3.04Å; V145-N148 PolarHBondContact O-N 3.03Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.41Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 3.31Å |
| 146 | Q | 95.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.9 | -76.7 | 173.1 | -3.9 | 0 | 0 | 112.4 | L133 R142 A143 E144 N148 I149 E150 | L133-Q146 HydrophobicContact CD1-CG 4.09Å; R142-Q146 WeakPolarHBondContact O-CB 3.45Å; R142-Q146 VanDerWaalsContact O-CG 3.26Å; R142-Q146 WeakPolarHBondContact O-CG 3.34Å; R142-Q146 PolarHBondContact O-N 3.45Å; A143-Q146 PolarHBondContact O-N 3.2Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.88Å; Q146-N148 VanDerWaalsContact C-N 3.26Å; Q146-N148 PolarHBondContact O-N 2.99Å; Q146-I149 PolarHBondContact O-N 2.84Å; Q146-E150 WeakPolarHBondContact O-CB 3.42Å; Q146-E150 PolarHBondContact O-N 3.1Å |
| 147 | I | 95.5 | Very high | 95 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -41 | 174.4 | -67.8 | 163 | 0 | 0 | 0 | 110.3 | A143 E144 E150 A151 | A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.26Å; E144-I147 PolarHBondContact O-N 2.81Å; I147-E150 PolarHBondContact O-N 3.34Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 2.94Å |
| 148 | N | 95.4 | Very high | 95.3 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.3 | -166.8 | 19.5 | 0 | 0 | 0 | 112.2 | E144 V145 Q146 A151 N152 | E144-N148 PolarHBondContact O-N 2.83Å; V145-N148 WeakPolarHBondContact O-CB 3.04Å; V145-N148 PolarHBondContact O-N 3.03Å; Q146-N148 VanDerWaalsContact C-N 3.26Å; Q146-N148 PolarHBondContact O-N 2.99Å; N148-A151 PolarHBondContact O-N 3.12Å; N148-N152 PolarHBondContact O-N 3.33Å; N148-N152 PolarHBondContact O-ND2 2.92Å; N148-N152 PolarHBondContact OD1-ND2 2.94Å |
| 149 | I | 96.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -49.5 | 173.7 | -69.6 | 166.8 | 0 | 0 | 0 | 109.7 | A129 Q130 L133 V145 Q146 A151 N152 E153 | A129-I149 HydrophobicContact CB-CG1 3.68Å; Q130-I149 HydrophobicContact CG-CD1 4.17Å; Q130-I149 HydrophobicContact CG-CG1 4.23Å; Q130-I149 HydrophobicContact CG-CG2 4.44Å; L133-I149 HydrophobicContact CB-CD1 4.11Å; L133-I149 HydrophobicContact CD2-CD1 3.89Å; L133-I149 HydrophobicContact CG-CD1 4.44Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.41Å; V145-I149 VanDerWaalsContact O-CG1 3.32Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 3.31Å; Q146-I149 PolarHBondContact O-N 2.84Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.45Å; I149-N152 PolarHBondContact O-N 2.62Å; I149-E153 HydrophobicContact CG2-CG 4.14Å; I149-E153 VanDerWaalsContact CG2-OE1 3.32Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.43Å; I149-E153 WeakPolarHBondContact O-CB 3.05Å; I149-E153 WeakPolarHBondContact O-CG 3.32Å; I149-E153 PolarHBondContact O-N 3.34Å |
| 150 | E | 95.7 | Very high | 94.9 | Very high | 59 Ų | 59 | 67 Ų | 67 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 179.7 | 178.2 | 179.6 | -178.3 | 0 | 0 | 112.3 | R73 Q146 I147 A154 | R73-E150 IonicContact CZ-OE1 2.73Å; R73-E150 IonicContact NE-OE1 2.73Å; R73-E150 PolarHBondContact NE-OE1 3.02Å; R73-E150 IonicContact NH2-OE1 3.99Å; R73-E150 PolarHBondContact NH2-OE1 3.24Å; Q146-E150 WeakPolarHBondContact O-CB 3.42Å; Q146-E150 PolarHBondContact O-N 3.1Å; I147-E150 PolarHBondContact O-N 3.34Å; E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.37Å |
| 151 | A | 95.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | P74 I147 N148 I149 A154 I155 | P74-A151 HydrophobicContact CB-CB 4.25Å; P74-A151 HydrophobicContact CG-CB 4.09Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 2.94Å; N148-A151 PolarHBondContact O-N 3.12Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.45Å; A151-A154 WeakPolarHBondContact O-CB 3.24Å; A151-A154 PolarHBondContact O-N 3.17Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.31Å |
| 152 | N | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 179.8 | -73.7 | -76.4 | 0 | 0 | 0 | 112.4 | N125 L126 N148 I149 A154 I155 V156 | N125-N152 WeakPolarHBondContact CB-OD1 3.39Å; L126-N152 HydrophobicContact CB-CB 3.94Å; N148-N152 PolarHBondContact O-N 3.33Å; N148-N152 PolarHBondContact O-ND2 2.92Å; N148-N152 PolarHBondContact OD1-ND2 2.94Å; I149-N152 PolarHBondContact O-N 2.62Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.5Å; N152-I155 PolarHBondContact O-N 2.9Å; N152-V156 WeakPolarHBondContact O-CG2 3.3Å; N152-V156 PolarHBondContact O-N 3.34Å |
| 153 | E | 96.1 | Very high | 95 | Very high | 90 Ų | 90 | 61.6 Ų | 61.6 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 172.3 | -78 | -179.7 | 179.3 | 0 | 0 | 111.4 | L126 I149 V156 K157 | L126-E153 HydrophobicContact CD1-CG 3.73Å; L126-E153 HydrophobicContact CG-CG 4.19Å; I149-E153 HydrophobicContact CG2-CG 4.14Å; I149-E153 VanDerWaalsContact CG2-OE1 3.32Å; I149-E153 WeakPolarHBondContact CG2-OE1 3.43Å; I149-E153 WeakPolarHBondContact O-CB 3.05Å; I149-E153 WeakPolarHBondContact O-CG 3.32Å; I149-E153 PolarHBondContact O-N 3.34Å; E153-V156 PolarHBondContact O-N 2.96Å; E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.37Å; E153-K157 PolarHBondContact O-N 2.87Å |
| 154 | A | 96.1 | Very high | 95 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P74 F90 E150 A151 N152 A158 | P74-A154 HydrophobicContact CB-CB 3.96Å; F90-A154 HydrophobicContact CE2-CB 4.06Å; F90-A154 HydrophobicContact CZ-CB 4.11Å; E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.37Å; A151-A154 WeakPolarHBondContact O-CB 3.24Å; A151-A154 PolarHBondContact O-N 3.17Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.5Å; A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 2.92Å |
| 155 | I | 95.8 | Very high | 95 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 175.2 | -65.8 | 169.5 | 0 | 0 | 0 | 110.4 | F90 L117 A122 A151 N152 K157 A158 L159 | F90-I155 HydrophobicContact CD1-CG1 4.08Å; F90-I155 HydrophobicContact CD2-CG1 4.28Å; F90-I155 HydrophobicContact CE1-CD1 4.06Å; F90-I155 HydrophobicContact CE1-CG1 3.45Å; F90-I155 VanDerWaalsContact CE1-CG1 3.45Å; F90-I155 HydrophobicContact CE2-CB 4.32Å; F90-I155 HydrophobicContact CE2-CG1 3.69Å; F90-I155 HydrophobicContact CG-CG1 4.46Å; F90-I155 HydrophobicContact CZ-CB 4.29Å; F90-I155 HydrophobicContact CZ-CD1 4.24Å; F90-I155 HydrophobicContact CZ-CG1 3.24Å; L117-I155 HydrophobicContact CD1-CG2 4.36Å; A122-I155 HydrophobicContact CB-CB 4.3Å; A122-I155 HydrophobicContact CB-CG2 3.55Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.31Å; N152-I155 PolarHBondContact O-N 2.9Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 2.87Å; I155-A158 WeakPolarHBondContact O-CB 3.27Å; I155-A158 PolarHBondContact O-N 3.08Å; I155-A158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.26Å |
| 156 | V | 96.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | A122 K123 L126 N152 E153 A158 L159 E160 | A122-V156 HydrophobicContact CB-CG2 3.86Å; K123-V156 HydrophobicContact CG-CG1 4.19Å; K123-V156 HydrophobicContact CG-CG2 3.78Å; L126-V156 HydrophobicContact CD1-CG2 4.06Å; N152-V156 WeakPolarHBondContact O-CG2 3.3Å; N152-V156 PolarHBondContact O-N 3.34Å; E153-V156 PolarHBondContact O-N 2.96Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 3.24Å; V156-L159 PolarHBondContact O-N 3.43Å; V156-L159 VanDerWaalsContact O-N 3.13Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.5Å; V156-E160 PolarHBondContact O-N 3.28Å |
| 157 | K | 95.2 | Very high | 94.8 | Very high | 166 Ų | 166 | 60.6 Ų | 60.6 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.1 | -29.6 | 177.4 | -175.1 | 178.2 | 179 | -177.2 | 0 | 113.4 | E153 I155 L159 | E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.37Å; E153-K157 PolarHBondContact O-N 2.87Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 2.87Å; K157-L159 VanDerWaalsContact C-N 3.28Å |
| 158 | A | 94.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73 | -22.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V76 F90 L114 A154 I155 V156 | V76-A158 HydrophobicContact CG2-CB 3.41Å; V76-A158 VanDerWaalsContact CG2-CB 3.41Å; F90-A158 HydrophobicContact CD2-CB 3.95Å; F90-A158 HydrophobicContact CE2-CB 4.35Å; L114-A158 HydrophobicContact CD2-CB 4.31Å; A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 2.92Å; I155-A158 WeakPolarHBondContact O-CB 3.27Å; I155-A158 PolarHBondContact O-N 3.08Å; I155-A158 VanDerWaalsContact O-N 3.09Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 3.24Å |
| 159 | L | 92.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -106.5 | -11.4 | -173.6 | -58.3 | 168.4 | 0 | 0 | 0 | 114.4 | L117 V119 I155 V156 K157 | L117-L159 HydrophobicContact CB-CD1 3.71Å; L117-L159 HydrophobicContact CB-CD2 3.79Å; L117-L159 HydrophobicContact CB-CG 4.33Å; L117-L159 HydrophobicContact CD1-CD1 4.48Å; L117-L159 HydrophobicContact CD1-CD2 4.16Å; V119-L159 HydrophobicContact CB-CD1 4.39Å; V119-L159 HydrophobicContact CG2-CB 3.59Å; V119-L159 HydrophobicContact CG2-CD1 3.8Å; V119-L159 HydrophobicContact CG2-CG 4.24Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.26Å; V156-L159 PolarHBondContact O-N 3.43Å; V156-L159 VanDerWaalsContact O-N 3.13Å; K157-L159 VanDerWaalsContact C-N 3.28Å |
| 160 | E | 86.6 | Confident | 94.6 | Very high | 178 Ų | 178 | 59.6 Ų | 59.6 | 83% | 0.832 | 30% | 0.302 | S | S | * | . | trans | -84.1 | 0 | 172.2 | -70.4 | -177.5 | 162.7 | 0 | 0 | 112.3 | K123 V156 | K123-E160 VanDerWaalsContact CE-OE1 3.25Å; K123-E160 WeakPolarHBondContact CE-OE1 3.15Å; K123-E160 IonicContact NZ-OE1 3.06Å; K123-E160 PolarHBondContact NZ-OE1 3.44Å; V156-E160 HydrophobicContact CG1-CG 4.32Å; V156-E160 WeakPolarHBondContact O-CG 3.5Å; V156-E160 PolarHBondContact O-N 3.28Å |
Retrieved 160 of 160 residues in 368.5 ms
(Link to these results)