| 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 | 37.5 | Very low | 33.8 | Very low | 230 Ų | 230 | 150 Ų | 150 | 100% | 1.133 | 87% | 0.872 | S | S | * | * | 0 | 72.3 | 0 | -172 | 174 | 165.6 | 0 | 0 | 109 | |||||
| 2 | F | 38 | Very low | 33.9 | Very low | 221 Ų | 221 | 148.4 Ų | 148.4 | 97% | 0.969 | 87% | 0.873 | S | S | * | * | trans | -155.9 | 106.8 | 157.8 | -92.6 | -75.5 | 0 | 0 | 0 | 104.9 | ||||
| 3 | V | 38.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 84% | 0.842 | 87% | 0.87 | S | S | * | * | trans | -102.3 | 138.8 | -174 | 168.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | A | 32.2 | Very low | 33.5 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 66% | 0.661 | 86% | 0.86 | S | S | * | * | trans | 65 | 99.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 5 | L | 35.1 | Very low | 33.9 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 98% | 0.979 | 86% | 0.856 | S | S | * | * | trans | -153.9 | 63.2 | 137.5 | -133.7 | 96.2 | 0 | 0 | 0 | 110 | ||||
| 6 | S | 34.8 | Very low | 34 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -131.2 | 69.1 | 172.4 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 7 | A | 30.9 | Very low | 34.3 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -160.6 | 86.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | L | 31.1 | Very low | 34 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -175.1 | 1.4 | 156.5 | -105.5 | 144 | 0 | 0 | 0 | 116 | V10 | L8-V10 VanDerWaalsContact C-N 3.26Å; L8-V10 PolarHBondContact O-N 3.49Å |
| 9 | I | 34.6 | Very low | 34.2 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -94.5 | 30.1 | 175.7 | -46.8 | 179 | 0 | 0 | 0 | 111.4 | ||
| 10 | V | 29.4 | Very low | 34.5 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -125.4 | 75.4 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | L8 | L8-V10 VanDerWaalsContact C-N 3.26Å; L8-V10 PolarHBondContact O-N 3.49Å | ||
| 11 | A | 29.5 | Very low | 34.8 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -168.6 | 88.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | C | 35.1 | Very low | 35.2 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 165.6 | 66.7 | 136.4 | -97.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | L | 30.7 | Very low | 36 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -82 | 138.3 | 148.8 | -129.1 | 78.5 | 0 | 0 | 0 | 106.3 | ||
| 14 | D | 32.2 | Very low | 37.1 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 60.9 | 91.5 | 165.4 | -61.8 | -29.4 | 0 | 0 | 0 | 118 | ||||
| 15 | Q | 38.2 | Very low | 39.2 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -143.5 | 81.5 | 139.1 | -113.5 | 178.8 | -10.3 | 0 | 0 | 109.6 | V17 | Q15-V17 HydrophobicContact CB-CG2 3.9Å; Q15-V17 HydrophobicContact CG-CG2 3.62Å; Q15-V17 PolarHBondContact O-N 3.42Å | ||
| 16 | I | 36.6 | Very low | 41.8 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -67.2 | 80.2 | 148.2 | -65.1 | 167.1 | 0 | 0 | 0 | 105.1 | C18 | I16-C18 PolarHBondContact O-N 2.8Š| ||
| 17 | V | 39 | Very low | 44.6 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 40% | 0.4 | 70% | 0.695 | S | S | . | * | trans | -80.4 | 104.9 | 161.5 | 179.2 | 0 | 0 | 0 | 0 | 104.2 | Q15 Y19 | Q15-V17 HydrophobicContact CB-CG2 3.9Å; Q15-V17 HydrophobicContact CG-CG2 3.62Å; Q15-V17 PolarHBondContact O-N 3.42Å; V17-Y19 HydrophobicContact CB-CD2 4.1Å; V17-Y19 HydrophobicContact CB-CE2 4.02Å; V17-Y19 HydrophobicContact CG1-CD2 3.77Å; V17-Y19 HydrophobicContact CG1-CE2 3.77Å; V17-Y19 HydrophobicContact CG1-CG 4.28Å; V17-Y19 PolarHBondContact O-N 3.03Å | ||
| 18 | C | 29.5 | Very low | 47.6 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | trans | -59.8 | 87.6 | 159 | -66 | 0 | 0 | 0 | 0 | 106.7 | I16 S20 | I16-C18 PolarHBondContact O-N 2.8Å; C18-S20 PolarHBondContact O-N 2.97Å | ||
| 19 | Y | 36.4 | Very low | 50.7 | Low | 191 Ų | 191 | 109.7 Ų | 109.7 | 75% | 0.749 | 63% | 0.632 | S | S | * | * | trans | -62.2 | 100.4 | 158.6 | -81.1 | -86.5 | 0 | 0 | 0 | 104.9 | V17 V21 | V17-Y19 HydrophobicContact CB-CD2 4.1Å; V17-Y19 HydrophobicContact CB-CE2 4.02Å; V17-Y19 HydrophobicContact CG1-CD2 3.77Å; V17-Y19 HydrophobicContact CG1-CE2 3.77Å; V17-Y19 HydrophobicContact CG1-CG 4.28Å; V17-Y19 PolarHBondContact O-N 3.03Å; Y19-V21 VanDerWaalsContact C-N 3.26Å; Y19-V21 PolarHBondContact O-N 3.32Å | ||
| 20 | S | 39.9 | Very low | 53.6 | Low | 87 Ų | 87 | 101.5 Ų | 101.5 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | trans | -50.7 | 109.1 | 146.5 | 46.5 | 0 | 0 | 0 | 0 | 104.6 | C18 D22 | C18-S20 PolarHBondContact O-N 2.97Å; S20-D22 PolarHBondContact O-N 3.12Å | ||
| 21 | V | 42 | Very low | 56.6 | Low | 122 Ų | 122 | 103.2 Ų | 103.2 | 74% | 0.739 | 58% | 0.58 | S | S | * | * | trans | -67.2 | 87.2 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 103.9 | Y19 | Y19-V21 VanDerWaalsContact C-N 3.26Å; Y19-V21 PolarHBondContact O-N 3.32Å | ||
| 22 | D | 45.9 | Very low | 59.7 | Low | 120 Ų | 120 | 100.4 Ų | 100.4 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | trans | -50.3 | 135.6 | 162.8 | -66.7 | -38.8 | 0 | 0 | 0 | 105.7 | S20 V24 | S20-D22 PolarHBondContact O-N 3.12Å; D22-V24 PolarHBondContact O-N 2.83Å | ||
| 23 | P | 55 | Low | 62.2 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 68% | 0.675 | 52% | 0.524 | S | S | * | . | trans | -51 | 124.1 | -179.6 | 21.9 | -31.8 | 0 | 0 | 0 | 106.8 | T25 | P23-T25 PolarHBondContact O-N 2.82Š| ||
| 24 | V | 60.5 | Low | 64.8 | Low | 135 Ų | 135 | 90.5 Ų | 90.5 | 82% | 0.818 | 50% | 0.501 | S | S | * | . | trans | -60.7 | 89.1 | -174.9 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | D22 S26 | D22-V24 PolarHBondContact O-N 2.83Å; V24-S26 PolarHBondContact O-N 3.1Å | ||
| 25 | T | 76.9 | Confident | 67.2 | Low | 64 Ų | 64 | 89.9 Ų | 89.9 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | trans | -74.6 | 115.7 | -179 | 34.4 | 0 | 0 | 0 | 0 | 106.4 | P23 Y44 | P23-T25 PolarHBondContact O-N 2.82Å; T25-Y44 PolarHBondContact O-OH 2.91Å | ||
| 26 | S | 90.7 | Very high | 69.4 | Low | 57 Ų | 57 | 87.4 Ų | 87.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 163.6 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | V24 Y44 S65 | V24-S26 PolarHBondContact O-N 3.1Å; S26-Y44 VanDerWaalsContact C-OH 3.31Å; S26-Y44 WeakPolarHBondContact CA-OH 3.33Å; S26-Y44 WeakPolarHBondContact O-CE1 3.29Å; S26-S65 PolarHBondContact N-OG 3.35Å; S26-S65 VanDerWaalsContact O-CB 3.25Å; S26-S65 WeakPolarHBondContact O-CB 3.33Å; S26-S65 PolarHBondContact O-N 3.46Å; S26-S65 PolarHBondContact O-OG 2.83Å; S26-S65 VanDerWaalsContact O-OG 3.1Å; S26-S65 WeakPolarHBondContact OG-CB 3.26Å; S26-S65 PolarHBondContact OG-OG 3.45Å |
| 27 | P | 92.6 | Very high | 71.9 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.6 | 176.4 | -19.7 | 29.6 | 0 | 0 | 0 | 111.7 | Q42 Y44 | P27-Q42 HydrophobicContact CB-CG 3.79Å; P27-Y44 HydrophobicContact CB-CD2 4.4Å; P27-Y44 HydrophobicContact CB-CE2 4.07Å; P27-Y44 WeakPolarHBondContact CD-OH 3.38Å; P27-Y44 HydrophobicContact CG-CD2 4.33Å; P27-Y44 HydrophobicContact CG-CE2 3.6Å |
| 28 | A | 95.1 | Very high | 74.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 148 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F30 Q42 G43 I63 Q68 | A28-F30 HydrophobicContact CB-CE2 3.81Å; A28-F30 HydrophobicContact CB-CZ 4.12Å; A28-Q42 CarbonylContact O-C 3.56Å; A28-Q42 WeakPolarHBondContact O-CA 3.45Å; A28-G43 PolarHBondContact N-O 2.96Å; A28-G43 PolarHBondContact O-N 2.75Å; A28-I63 HydrophobicContact CB-CG2 3.99Å; A28-Q68 HydrophobicContact CB-CB 4.07Å |
| 29 | T | 95.3 | Very high | 77.6 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.4 | 175.3 | -56 | 0 | 0 | 0 | 0 | 110.5 | L40 L41 Q42 | T29-L40 HydrophobicContact CG2-CD1 3.85Å; T29-L41 CarbonylContact C-O 3.57Å; T29-L41 WeakPolarHBondContact CA-O 3.32Å; T29-Q42 PolarHBondContact OG1-NE2 2.59Å |
| 30 | F | 95.1 | Very high | 80.4 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.022 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.9 | 176.4 | -58.6 | -69.4 | 0 | 0 | 0 | 110.2 | A28 L41 I63 Q68 F71 V73 L84 L86 | A28-F30 HydrophobicContact CB-CE2 3.81Å; A28-F30 HydrophobicContact CB-CZ 4.12Å; F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 PolarHBondContact N-O 3.47Å; F30-L41 PolarHBondContact O-N 2.91Å; F30-I63 HydrophobicContact CE2-CG2 3.6Å; F30-I63 HydrophobicContact CZ-CG2 3.51Å; F30-Q68 HydrophobicContact CE1-CB 4.05Å; F30-Q68 HydrophobicContact CZ-CB 4.05Å; F30-F71 HydrophobicContact CE1-CB 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.37Å; F30-F71 HydrophobicContact CZ-CD2 4.49Å; F30-F71 HydrophobicContact CZ-CG 4.44Å; F30-V73 HydrophobicContact CB-CG2 4.37Å; F30-V73 HydrophobicContact CD1-CG2 3.57Å; F30-V73 HydrophobicContact CE1-CG2 4.34Å; F30-V73 HydrophobicContact CG-CG2 4.37Å; F30-L84 HydrophobicContact CB-CD2 4.32Å; F30-L86 HydrophobicContact CB-CD2 4.15Å; F30-L86 HydrophobicContact CD1-CD2 3.71Å; F30-L86 HydrophobicContact CD2-CD1 3.87Å; F30-L86 HydrophobicContact CD2-CD2 4.03Å; F30-L86 HydrophobicContact CE1-CD2 4.06Å; F30-L86 HydrophobicContact CE2-CD1 3.71Å; F30-L86 HydrophobicContact CE2-CD2 4.36Å; F30-L86 HydrophobicContact CG-CD1 4.38Å; F30-L86 HydrophobicContact CG-CD2 3.67Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 4.36Å |
| 31 | R | 93.3 | Very high | 83.1 | Confident | 181 Ų | 181 | 59 Ų | 59 | 68% | 0.683 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.1 | 179.5 | 57.1 | -178.4 | 142.2 | 76.8 | 3.4 | 110.4 | I39 L40 | R31-I39 WeakPolarHBondContact CA-O 3.49Å; R31-L40 HydrophobicContact CB-CD1 4.05Å |
| 32 | I | 93.4 | Very high | 85.6 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 18% | 0.179 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.6 | 168.6 | -173.4 | 162.1 | 0 | 0 | 0 | 108 | S38 I39 V73 L84 | I32-S38 CarbonylContact O-C 3.53Å; I32-S38 VanDerWaalsContact O-CA 3.28Å; I32-S38 WeakPolarHBondContact O-CA 3.44Å; I32-S38 WeakPolarHBondContact O-CB 3.35Å; I32-I39 HydrophobicContact CG2-CB 3.88Å; I32-I39 HydrophobicContact CG2-CD1 3.94Å; I32-I39 HydrophobicContact CG2-CG1 4.19Å; I32-I39 PolarHBondContact N-O 3.26Å; I32-I39 PolarHBondContact O-N 3.49Å; I32-V73 HydrophobicContact CB-CG1 4.15Å; I32-L84 HydrophobicContact CB-CD1 4.35Å; I32-L84 HydrophobicContact CG2-CD1 3.68Å |
| 33 | G | 88 | Confident | 88 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S37 S38 | G33-S37 CarbonylContact C-O 3.53Å; G33-S37 VanDerWaalsContact CA-O 3.23Å; G33-S37 WeakPolarHBondContact CA-O 3.29Å; G33-S38 VanDerWaalsContact CA-CB 3.48Å |
| 34 | S | 86 | Confident | 90 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | trans | -117 | -171.6 | 159.9 | 79.1 | 0 | 0 | 0 | 0 | 108.5 | D36 S37 | S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 2.99Å; S34-D36 PolarHBondContact OG-N 3.18Å; S34-S37 PolarHBondContact N-O 3.12Å | ||
| 35 | N | 81.6 | Confident | 91.7 | Very high | 123 Ų | 123 | 40.7 Ų | 40.7 | 66% | 0.658 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -65.2 | -29.9 | 174.8 | -73.2 | -14.1 | 0 | 0 | 0 | 112.9 | G180 | N35-G180 WeakPolarHBondContact O-CA 3.45Å; N35-G180 PolarHBondContact O-N 3.27Å |
| 36 | D | 84.2 | Confident | 92.6 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 65% | 0.652 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -94.7 | -26.3 | -172 | -60.5 | -37.8 | 0 | 0 | 0 | 113 | S34 H179 | S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 2.99Å; S34-D36 PolarHBondContact OG-N 3.18Å; D36-H179 PolarHBondContact O-CD2 2.87Å |
| 37 | S | 89.9 | Confident | 92.8 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | trans | -150.4 | 132.5 | -175.2 | 149.7 | 0 | 0 | 0 | 0 | 109.7 | G33 S34 L77 E82 R178 | G33-S37 CarbonylContact C-O 3.53Å; G33-S37 VanDerWaalsContact CA-O 3.23Å; G33-S37 WeakPolarHBondContact CA-O 3.29Å; S34-S37 PolarHBondContact N-O 3.12Å; S37-L77 WeakPolarHBondContact OG-CD2 3.28Å; S37-E82 WeakPolarHBondContact CB-OE1 3.38Å; S37-E82 VanDerWaalsContact OG-CD 3.26Å; S37-E82 PolarHBondContact OG-OE1 3.2Å; S37-R178 CarbonylContact C-O 3.52Å; S37-R178 VanDerWaalsContact C-O 3.32Å; S37-R178 WeakPolarHBondContact CA-O 3.17Å | ||
| 38 | S | 92.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155.1 | 174.6 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | I32 G33 F177 R178 G180 | I32-S38 CarbonylContact O-C 3.53Å; I32-S38 VanDerWaalsContact O-CA 3.28Å; I32-S38 WeakPolarHBondContact O-CA 3.44Å; I32-S38 WeakPolarHBondContact O-CB 3.35Å; G33-S38 VanDerWaalsContact CA-CB 3.48Å; S38-F177 PolarHBondContact O-N 2.91Å; S38-R178 PolarHBondContact N-O 2.8Å; S38-R178 WeakPolarHBondContact O-CB 3.48Å; S38-R178 PolarHBondContact O-N 2.83Å; S38-R178 WeakPolarHBondContact OG-CD 3.36Å; S38-R178 VanDerWaalsContact OG-CG 3.26Å; S38-R178 WeakPolarHBondContact OG-CG 3.45Å; S38-R178 PolarHBondContact OG-NE 2.68Å; S38-R178 PolarHBondContact OG-NH1 2.81Å; S38-G180 WeakPolarHBondContact CB-O 3.16Å; S38-G180 PolarHBondContact OG-O 3.05Å |
| 39 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.1 | 174.6 | -50.5 | 168 | 0 | 0 | 0 | 107.7 | R31 I32 L77 E82 L84 F103 Q175 | R31-I39 WeakPolarHBondContact CA-O 3.49Å; I32-I39 HydrophobicContact CG2-CB 3.88Å; I32-I39 HydrophobicContact CG2-CD1 3.94Å; I32-I39 HydrophobicContact CG2-CG1 4.19Å; I32-I39 PolarHBondContact N-O 3.26Å; I32-I39 PolarHBondContact O-N 3.49Å; I39-L77 HydrophobicContact CD1-CD2 4.34Å; I39-L77 HydrophobicContact CG1-CD2 4.22Å; I39-E82 HydrophobicContact CD1-CB 3.83Å; I39-E82 HydrophobicContact CG1-CB 4.13Å; I39-E82 VanDerWaalsContact CG1-OE2 3.25Å; I39-E82 WeakPolarHBondContact CG1-OE2 3.28Å; I39-L84 HydrophobicContact CD1-CB 4.05Å; I39-L84 HydrophobicContact CG2-CB 4.36Å; I39-F103 HydrophobicContact CD1-CD2 4.39Å; I39-F103 HydrophobicContact CG2-CD2 4.45Å; I39-F103 HydrophobicContact CG2-CE2 4.06Å; I39-Q175 CarbonylContact C-O 3.5Å; I39-Q175 WeakPolarHBondContact CA-O 3.34Å |
| 40 | L | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.1 | 171 | -176.3 | 63.3 | 0 | 0 | 0 | 108.6 | T29 R31 V174 Q175 F185 | T29-L40 HydrophobicContact CG2-CD1 3.85Å; R31-L40 HydrophobicContact CB-CD1 4.05Å; L40-V174 WeakPolarHBondContact O-CA 3.38Å; L40-Q175 PolarHBondContact N-O 2.76Å; L40-Q175 PolarHBondContact O-N 2.83Å; L40-F185 HydrophobicContact CB-CE1 4.19Å; L40-F185 HydrophobicContact CD2-CD1 3.92Å; L40-F185 HydrophobicContact CD2-CD2 4.01Å; L40-F185 HydrophobicContact CD2-CE1 3.83Å; L40-F185 HydrophobicContact CD2-CE2 3.93Å; L40-F185 HydrophobicContact CD2-CG 4Å; L40-F185 HydrophobicContact CD2-CZ 3.83Å; L40-F185 HydrophobicContact CG-CD1 4.39Å; L40-F185 HydrophobicContact CG-CE1 3.82Å; L40-F185 HydrophobicContact CG-CE2 4.24Å; L40-F185 HydrophobicContact CG-CZ 3.73Å |
| 41 | L | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.1 | 176.7 | -174.6 | 149.5 | 0 | 0 | 0 | 108.9 | T29 F30 I45 L84 F101 L172 V174 | T29-L41 CarbonylContact C-O 3.57Å; T29-L41 WeakPolarHBondContact CA-O 3.32Å; F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 PolarHBondContact N-O 3.47Å; F30-L41 PolarHBondContact O-N 2.91Å; L41-I45 HydrophobicContact CD2-CD1 4Å; L41-L84 HydrophobicContact CB-CD2 3.81Å; L41-L84 HydrophobicContact CD1-CD2 3.95Å; L41-L84 HydrophobicContact CG-CD2 4.41Å; L41-F101 HydrophobicContact CD1-CD1 4.18Å; L41-F101 HydrophobicContact CD1-CD2 4.48Å; L41-F101 HydrophobicContact CD1-CE1 4.09Å; L41-F101 HydrophobicContact CD1-CE2 4.42Å; L41-F101 HydrophobicContact CD1-CG 4.38Å; L41-F101 HydrophobicContact CD1-CZ 4.23Å; L41-L172 HydrophobicContact CD2-CD1 4.41Å; L41-L172 HydrophobicContact CG-CD1 4.37Å; L41-V174 HydrophobicContact CB-CG2 4.41Å; L41-V174 HydrophobicContact CD1-CG2 4.37Å; L41-V174 HydrophobicContact CG-CG2 4.5Å |
| 42 | Q | 96 | Very high | 92 | Very high | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.8 | 175.4 | 177.6 | 175.7 | 84.6 | 0 | 0 | 109.7 | P27 A28 T29 L172 K173 F185 | P27-Q42 HydrophobicContact CB-CG 3.79Å; A28-Q42 CarbonylContact O-C 3.56Å; A28-Q42 WeakPolarHBondContact O-CA 3.45Å; T29-Q42 PolarHBondContact OG1-NE2 2.59Å; Q42-L172 CarbonylContact O-C 3.56Å; Q42-L172 WeakPolarHBondContact O-CA 3.48Å; Q42-K173 HydrophobicContact CB-CB 4.4Å; Q42-K173 PolarHBondContact N-O 2.93Å; Q42-K173 PolarHBondContact O-N 2.77Å; Q42-K173 VanDerWaalsContact O-O 3.13Å; Q42-F185 HydrophobicContact CB-CE2 3.78Å; Q42-F185 HydrophobicContact CB-CZ 3.7Å |
| 43 | G | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A28 Q171 | A28-G43 PolarHBondContact N-O 2.96Å; A28-G43 PolarHBondContact O-N 2.75Å; G43-Q171 WeakPolarHBondContact CA-O 3.44Å |
| 44 | Y | 95.7 | Very high | 90.5 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132 | 164.3 | -58 | -86.6 | 0 | 0 | 0 | 108.9 | T25 S26 P27 D64 F169 S170 Q171 | T25-Y44 PolarHBondContact O-OH 2.91Å; S26-Y44 VanDerWaalsContact C-OH 3.31Å; S26-Y44 WeakPolarHBondContact CA-OH 3.33Å; S26-Y44 WeakPolarHBondContact O-CE1 3.29Å; P27-Y44 HydrophobicContact CB-CD2 4.4Å; P27-Y44 HydrophobicContact CB-CE2 4.07Å; P27-Y44 WeakPolarHBondContact CD-OH 3.38Å; P27-Y44 HydrophobicContact CG-CD2 4.33Å; P27-Y44 HydrophobicContact CG-CE2 3.6Å; Y44-D64 HydrophobicContact CD1-CB 4.04Å; Y44-D64 HydrophobicContact CE1-CB 4.3Å; Y44-F169 WeakPolarHBondContact O-CA 3.48Å; Y44-S170 PolarHBondContact N-O 2.94Å; Y44-S170 PolarHBondContact O-N 3.43Å; Y44-Q171 HydrophobicContact CD2-CB 4.04Å; Y44-Q171 HydrophobicContact CD2-CG 4.28Å; Y44-Q171 HydrophobicContact CE2-CB 4.1Å; Y44-Q171 HydrophobicContact CE2-CG 4.16Å |
| 45 | I | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 120.6 | 178.6 | -43.2 | 174.9 | 0 | 0 | 0 | 108.2 | L41 I63 F101 T168 F169 | L41-I45 HydrophobicContact CD2-CD1 4Å; I45-I63 HydrophobicContact CB-CB 3.98Å; I45-I63 HydrophobicContact CB-CD1 4.2Å; I45-I63 HydrophobicContact CB-CG1 4.26Å; I45-I63 HydrophobicContact CG2-CD1 4.41Å; I45-I63 PolarHBondContact N-O 3.44Å; I45-I63 WeakPolarHBondContact O-CA 3.12Å; I45-I63 WeakPolarHBondContact O-CB 3.42Å; I45-I63 PolarHBondContact O-N 3.09Å; I45-F101 HydrophobicContact CD1-CZ 4.11Å; I45-T168 CarbonylContact C-O 3.55Å; I45-T168 WeakPolarHBondContact CA-O 3.46Å; I45-F169 HydrophobicContact CB-CD1 4.38Å; I45-F169 HydrophobicContact CB-CE1 4.46Å; I45-F169 HydrophobicContact CD1-CD1 4.5Å; I45-F169 HydrophobicContact CD1-CE1 4.3Å; I45-F169 HydrophobicContact CG1-CD1 3.98Å; I45-F169 HydrophobicContact CG1-CE1 4.17Å; I45-F169 HydrophobicContact CG2-CD1 3.94Å; I45-F169 HydrophobicContact CG2-CE1 3.64Å; I45-F169 HydrophobicContact CG2-CZ 4.42Å |
| 46 | N | 95.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.8 | 171.7 | -70.1 | -37 | 0 | 0 | 0 | 109.5 | V61 S62 L167 T168 | N46-V61 CarbonylContact C-O 3.51Å; N46-V61 WeakPolarHBondContact CA-O 3.5Å; N46-S62 WeakPolarHBondContact OD1-CA 3.34Å; N46-S62 VanDerWaalsContact OD1-CB 3.24Å; N46-S62 WeakPolarHBondContact OD1-CB 3.47Å; N46-S62 PolarHBondContact OD1-OG 3.28Å; N46-L167 CarbonylContact O-C 3.5Å; N46-L167 WeakPolarHBondContact O-CA 3.27Å; N46-T168 PolarHBondContact N-O 3.21Å; N46-T168 PolarHBondContact O-N 2.87Å |
| 47 | I | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117 | 175.1 | -42.6 | -175.8 | 0 | 0 | 0 | 107.5 | V60 V61 I63 W88 L99 F117 V165 L167 | I47-V60 CarbonylContact O-C 3.5Å; I47-V60 VanDerWaalsContact O-CA 3.32Å; I47-V60 WeakPolarHBondContact O-CA 3.49Å; I47-V61 HydrophobicContact CB-CB 4.15Å; I47-V61 HydrophobicContact CG1-CB 4.41Å; I47-V61 PolarHBondContact N-O 3.49Å; I47-V61 PolarHBondContact O-N 3.29Å; I47-I63 HydrophobicContact CD1-CD1 4.32Å; I47-W88 HydrophobicContact CD1-CH2 3.5Å; I47-W88 VanDerWaalsContact CD1-CH2 3.5Å; I47-W88 HydrophobicContact CD1-CZ2 3.87Å; I47-L99 HydrophobicContact CD1-CD2 4.02Å; I47-F117 HydrophobicContact CD1-CE2 4.26Å; I47-F117 HydrophobicContact CD1-CZ 4.42Å; I47-F117 HydrophobicContact CG2-CD1 4.38Å; I47-F117 HydrophobicContact CG2-CE1 3.91Å; I47-F117 HydrophobicContact CG2-CZ 4.13Å; I47-V165 HydrophobicContact CG2-CG1 4.26Å; I47-L167 HydrophobicContact CB-CD2 3.93Å; I47-L167 HydrophobicContact CD1-CD2 4.1Å; I47-L167 HydrophobicContact CG1-CD2 3.53Å; I47-L167 HydrophobicContact CG2-CD2 3.74Å |
| 48 | T | 95.4 | Very high | 90.4 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.9 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 110 | P58 V60 N166 | T48-P58 HydrophobicContact CG2-CB 3.97Å; T48-V60 HydrophobicContact CG2-CG2 4.31Å; T48-N166 PolarHBondContact N-O 2.76Å; T48-N166 PolarHBondContact O-N 3.02Å |
| 49 | L | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 102.2 | 175.4 | -71.6 | 143.3 | 0 | 0 | 0 | 108.9 | P58 V59 W97 F117 Y119 L121 V163 T164 V165 | L49-P58 CarbonylContact O-C 3.13Å; L49-P58 WeakPolarHBondContact O-CA 3.32Å; L49-P58 WeakPolarHBondContact O-CB 3.49Å; L49-V59 HydrophobicContact CB-CB 4.08Å; L49-V59 WeakPolarHBondContact CB-O 3.14Å; L49-V59 HydrophobicContact CD1-CB 4.09Å; L49-V59 HydrophobicContact CD1-CG1 4.13Å; L49-V59 PolarHBondContact N-O 3.34Å; L49-V59 PolarHBondContact O-N 3.42Å; L49-W97 HydrophobicContact CD1-CH2 3.53Å; L49-W97 HydrophobicContact CD1-CZ3 3.54Å; L49-F117 HydrophobicContact CD1-CE1 4.27Å; L49-F117 HydrophobicContact CD2-CE1 4.16Å; L49-F117 HydrophobicContact CG-CE1 4.45Å; L49-Y119 HydrophobicContact CD2-CD1 4.44Å; L49-Y119 HydrophobicContact CD2-CD2 3.63Å; L49-Y119 HydrophobicContact CD2-CE1 4.19Å; L49-Y119 HydrophobicContact CD2-CE2 3.32Å; L49-Y119 HydrophobicContact CD2-CG 4.18Å; L49-L121 HydrophobicContact CD1-CD2 4.44Å; L49-V163 HydrophobicContact CB-CG1 4.12Å; L49-V163 HydrophobicContact CD2-CG1 3.81Å; L49-T164 WeakPolarHBondContact CA-O 3.35Å; L49-V165 HydrophobicContact CD2-CG2 3.73Å |
| 50 | A | 92.1 | Very high | 90.2 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P58 V163 T164 | A50-P58 HydrophobicContact CB-CB 4.45Å; A50-V163 CarbonylContact O-C 3.52Å; A50-V163 VanDerWaalsContact O-CA 3.29Å; A50-V163 WeakPolarHBondContact O-CA 3.31Å; A50-T164 PolarHBondContact N-O 2.81Å; A50-T164 PolarHBondContact O-N 3.33Å |
| 51 | Y | 89.1 | Confident | 90.1 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 9% | 0.09 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.9 | 177.6 | -61.9 | -95.7 | 0 | 0 | 0 | 110.2 | K56 V59 L121 D123 L124 P162 V163 | Y51-K56 HydrophobicContact CD2-CB 3.9Å; Y51-K56 HydrophobicContact CD2-CD 4.38Å; Y51-K56 HydrophobicContact CD2-CG 4.22Å; Y51-K56 HydrophobicContact CE2-CB 4.36Å; Y51-K56 HydrophobicContact CE2-CD 4Å; Y51-K56 HydrophobicContact CE2-CG 4.18Å; Y51-K56 HydrophobicContact CG-CB 4.17Å; Y51-V59 HydrophobicContact CE2-CG2 4.28Å; Y51-L121 HydrophobicContact CE1-CD1 4.02Å; Y51-D123 PolarHBondContact OH-OD2 2.94Å; Y51-L124 HydrophobicContact CD1-CD1 4Å; Y51-L124 HydrophobicContact CE1-CD1 3.54Å; Y51-P162 CarbonylContact C-O 3.59Å; Y51-P162 WeakPolarHBondContact CA-O 3.49Å; Y51-V163 HydrophobicContact CD1-CG2 3.89Å; Y51-V163 HydrophobicContact CE1-CG2 4.07Å |
| 52 | T | 83.5 | Confident | 90 | Very high | 81 Ų | 81 | 59 Ų | 59 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -88.4 | -28.8 | -176 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | P162 T164 | T52-P162 PolarHBondContact N-O 3.25Å; T52-P162 VanDerWaalsContact OG1-C 3.23Å; T52-P162 WeakPolarHBondContact OG1-CA 3.26Å; T52-P162 PolarHBondContact OG1-O 3.17Å; T52-P162 VanDerWaalsContact OG1-O 3.12Å; T52-T164 VanDerWaalsContact CG2-OG1 3.26Å; T52-T164 WeakPolarHBondContact CG2-OG1 3.18Å |
| 53 | K | 75 | Confident | 89.9 | Confident | 173 Ų | 173 | 56.7 Ų | 56.7 | 75% | 0.752 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -105.3 | -8.9 | -175.1 | -62.8 | -167.9 | -179.5 | -178 | 0 | 114.5 | P162 | K53-P162 HydrophobicContact CB-CB 4.3Å; K53-P162 HydrophobicContact CD-CB 4.13Å; K53-P162 HydrophobicContact CG-CB 4.1Å |
| 54 | V | 76.6 | Confident | 89.8 | Confident | 88 Ų | 88 | 58 Ų | 58 | 53% | 0.533 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -129.7 | 131.6 | -173.7 | -171.1 | 0 | 0 | 0 | 0 | 107.5 | K56 | V54-K56 HydrophobicContact CG1-CB 4.15Å; V54-K56 PolarHBondContact O-N 3.47Å |
| 55 | Q | 77 | Confident | 89.7 | Confident | 211 Ų | 211 | 57.3 Ų | 57.3 | 99% | 0.986 | 32% | 0.324 | S | S | * | . | trans | -73.4 | 70 | 171.2 | -72.1 | -175.3 | 18.4 | 0 | 0 | 109.7 | ||||
| 56 | K | 83.4 | Confident | 89.4 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | trans | -115.5 | 142.4 | 175.3 | -170.6 | 172.1 | -176.8 | 176.2 | 0 | 108.8 | Y51 V54 D123 | Y51-K56 HydrophobicContact CD2-CB 3.9Å; Y51-K56 HydrophobicContact CD2-CD 4.38Å; Y51-K56 HydrophobicContact CD2-CG 4.22Å; Y51-K56 HydrophobicContact CE2-CB 4.36Å; Y51-K56 HydrophobicContact CE2-CD 4Å; Y51-K56 HydrophobicContact CE2-CG 4.18Å; Y51-K56 HydrophobicContact CG-CB 4.17Å; V54-K56 HydrophobicContact CG1-CB 4.15Å; V54-K56 PolarHBondContact O-N 3.47Å; K56-D123 IonicContact NZ-OD1 2.76Å; K56-D123 PolarHBondContact NZ-OD1 3.24Å; K56-D123 IonicContact NZ-OD2 3.16Å; K56-D123 PolarHBondContact NZ-OD2 3.3Å | ||
| 57 | A | 87.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 63% | 0.628 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 140.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 58 | P | 90.2 | Very high | 89 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 146 | 178 | 28.3 | -33.8 | 0 | 0 | 0 | 110.4 | T48 L49 A50 | T48-P58 HydrophobicContact CG2-CB 3.97Å; L49-P58 CarbonylContact O-C 3.13Å; L49-P58 WeakPolarHBondContact O-CA 3.32Å; L49-P58 WeakPolarHBondContact O-CB 3.49Å; A50-P58 HydrophobicContact CB-CB 4.45Å |
| 59 | V | 91.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.2 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | L49 Y51 W97 L121 | L49-V59 HydrophobicContact CB-CB 4.08Å; L49-V59 WeakPolarHBondContact CB-O 3.14Å; L49-V59 HydrophobicContact CD1-CB 4.09Å; L49-V59 HydrophobicContact CD1-CG1 4.13Å; L49-V59 PolarHBondContact N-O 3.34Å; L49-V59 PolarHBondContact O-N 3.42Å; Y51-V59 HydrophobicContact CE2-CG2 4.28Å; V59-W97 HydrophobicContact CG1-CH2 4.21Å; V59-L121 HydrophobicContact CG2-CD2 4.17Å |
| 60 | V | 93.1 | Very high | 88.7 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.9 | -179 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | I47 T48 | I47-V60 CarbonylContact O-C 3.5Å; I47-V60 VanDerWaalsContact O-CA 3.32Å; I47-V60 WeakPolarHBondContact O-CA 3.49Å; T48-V60 HydrophobicContact CG2-CG2 4.31Å |
| 61 | V | 93.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.4 | 171.4 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | N46 I47 F71 W88 W97 | N46-V61 CarbonylContact C-O 3.51Å; N46-V61 WeakPolarHBondContact CA-O 3.5Å; I47-V61 HydrophobicContact CB-CB 4.15Å; I47-V61 HydrophobicContact CG1-CB 4.41Å; I47-V61 PolarHBondContact N-O 3.49Å; I47-V61 PolarHBondContact O-N 3.29Å; V61-F71 HydrophobicContact CG1-CZ 4.12Å; V61-W88 HydrophobicContact CB-CZ2 4.5Å; V61-W88 HydrophobicContact CG1-CZ2 3.96Å; V61-W88 HydrophobicContact CG2-CZ2 4.39Å; V61-W97 HydrophobicContact CG2-CE3 4.46Å; V61-W97 HydrophobicContact CG2-CZ3 3.89Å |
| 62 | S | 93.6 | Very high | 89.1 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.5 | 175.8 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | N46 T67 | N46-S62 WeakPolarHBondContact OD1-CA 3.34Å; N46-S62 VanDerWaalsContact OD1-CB 3.24Å; N46-S62 WeakPolarHBondContact OD1-CB 3.47Å; N46-S62 PolarHBondContact OD1-OG 3.28Å; S62-T67 PolarHBondContact O-OG1 3.48Å |
| 63 | I | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107.3 | 179.4 | -45.2 | -173.7 | 0 | 0 | 0 | 107.9 | A28 F30 I45 I47 T67 F71 | A28-I63 HydrophobicContact CB-CG2 3.99Å; F30-I63 HydrophobicContact CE2-CG2 3.6Å; F30-I63 HydrophobicContact CZ-CG2 3.51Å; I45-I63 HydrophobicContact CB-CB 3.98Å; I45-I63 HydrophobicContact CB-CD1 4.2Å; I45-I63 HydrophobicContact CB-CG1 4.26Å; I45-I63 HydrophobicContact CG2-CD1 4.41Å; I45-I63 PolarHBondContact N-O 3.44Å; I45-I63 WeakPolarHBondContact O-CA 3.12Å; I45-I63 WeakPolarHBondContact O-CB 3.42Å; I45-I63 PolarHBondContact O-N 3.09Å; I47-I63 HydrophobicContact CD1-CD1 4.32Å; I63-T67 WeakPolarHBondContact CA-OG1 3.22Å; I63-F71 HydrophobicContact CB-CZ 4.42Å; I63-F71 HydrophobicContact CD1-CD1 4.32Å; I63-F71 HydrophobicContact CD1-CE1 3.64Å; I63-F71 HydrophobicContact CD1-CZ 3.84Å; I63-F71 HydrophobicContact CG1-CE1 3.96Å; I63-F71 HydrophobicContact CG1-CE2 4.19Å; I63-F71 HydrophobicContact CG1-CZ 3.59Å; I63-F71 HydrophobicContact CG2-CD2 4.42Å; I63-F71 HydrophobicContact CG2-CE2 4.1Å; I63-F71 HydrophobicContact CG2-CZ 4.31Å |
| 64 | D | 93.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.15 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -140.8 | -176.7 | 178.8 | 58.6 | 41 | 0 | 0 | 0 | 109.5 | Y44 A66 T67 Q68 | Y44-D64 HydrophobicContact CD1-CB 4.04Å; Y44-D64 HydrophobicContact CE1-CB 4.3Å; D64-A66 PolarHBondContact O-N 3.48Å; D64-A66 WeakPolarHBondContact OD1-CA 3.32Å; D64-A66 VanDerWaalsContact OD1-CB 3.3Å; D64-A66 WeakPolarHBondContact OD1-CB 3.37Å; D64-A66 PolarHBondContact OD1-N 3.06Å; D64-T67 PolarHBondContact N-OG1 3.22Å; D64-T67 VanDerWaalsContact N-OG1 3.14Å; D64-T67 PolarHBondContact O-N 3.42Å; D64-T67 PolarHBondContact OD1-N 3.27Å; D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 PolarHBondContact O-N 3.17Å |
| 65 | S | 92.7 | Very high | 91.4 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 22% | 0.217 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.7 | -179.5 | 66 | 0 | 0 | 0 | 0 | 114.7 | S26 Q68 | S26-S65 PolarHBondContact N-OG 3.35Å; S26-S65 VanDerWaalsContact O-CB 3.25Å; S26-S65 WeakPolarHBondContact O-CB 3.33Å; S26-S65 PolarHBondContact O-N 3.46Å; S26-S65 PolarHBondContact O-OG 2.83Å; S26-S65 VanDerWaalsContact O-OG 3.1Å; S26-S65 WeakPolarHBondContact OG-CB 3.26Å; S26-S65 PolarHBondContact OG-OG 3.45Å; S65-Q68 WeakPolarHBondContact O-CG 3.38Å; S65-Q68 PolarHBondContact O-NE2 3.48Å |
| 66 | A | 91 | Very high | 92.2 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D64 | D64-A66 PolarHBondContact O-N 3.48Å; D64-A66 WeakPolarHBondContact OD1-CA 3.32Å; D64-A66 VanDerWaalsContact OD1-CB 3.3Å; D64-A66 WeakPolarHBondContact OD1-CB 3.37Å; D64-A66 PolarHBondContact OD1-N 3.06Å |
| 67 | T | 91.7 | Very high | 92.6 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.6 | -179.7 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | S62 I63 D64 G69 K70 F71 | S62-T67 PolarHBondContact O-OG1 3.48Å; I63-T67 WeakPolarHBondContact CA-OG1 3.22Å; D64-T67 PolarHBondContact N-OG1 3.22Å; D64-T67 VanDerWaalsContact N-OG1 3.14Å; D64-T67 PolarHBondContact O-N 3.42Å; D64-T67 PolarHBondContact OD1-N 3.27Å; T67-G69 PolarHBondContact O-N 3.48Å; T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 2.85Å; T67-F71 WeakPolarHBondContact O-CD2 3.37Å; T67-F71 WeakPolarHBondContact O-CE2 3.32Å |
| 68 | Q | 91 | Very high | 92.8 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -51.7 | -32.5 | -174.2 | 70.2 | -175.1 | -20.5 | 0 | 0 | 114 | A28 F30 D64 S65 K70 F71 | A28-Q68 HydrophobicContact CB-CB 4.07Å; F30-Q68 HydrophobicContact CE1-CB 4.05Å; F30-Q68 HydrophobicContact CZ-CB 4.05Å; D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 PolarHBondContact O-N 3.17Å; S65-Q68 WeakPolarHBondContact O-CG 3.38Å; S65-Q68 PolarHBondContact O-NE2 3.48Å; Q68-K70 PolarHBondContact O-N 3.47Å; Q68-K70 VanDerWaalsContact O-N 3.16Å; Q68-F71 PolarHBondContact O-N 3.38Å; Q68-F71 VanDerWaalsContact O-N 3.14Å |
| 69 | G | 90.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 80% | 0.804 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -66.1 | -13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T67 | T67-G69 PolarHBondContact O-N 3.48Š|
| 70 | K | 92.1 | Very high | 92.8 | Very high | 142 Ų | 142 | 66 Ų | 66 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -82.5 | -13.4 | 175.6 | -61.5 | -175.8 | 178.4 | -174 | 0 | 113.3 | T67 Q68 | T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 2.85Å; Q68-K70 PolarHBondContact O-N 3.47Å; Q68-K70 VanDerWaalsContact O-N 3.16Å |
| 71 | F | 94.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -101 | 126.4 | -173.5 | -60.7 | -98.6 | 0 | 0 | 0 | 110 | F30 V61 I63 T67 Q68 L86 S87 W88 | F30-F71 HydrophobicContact CE1-CB 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.37Å; F30-F71 HydrophobicContact CZ-CD2 4.49Å; F30-F71 HydrophobicContact CZ-CG 4.44Å; V61-F71 HydrophobicContact CG1-CZ 4.12Å; I63-F71 HydrophobicContact CB-CZ 4.42Å; I63-F71 HydrophobicContact CD1-CD1 4.32Å; I63-F71 HydrophobicContact CD1-CE1 3.64Å; I63-F71 HydrophobicContact CD1-CZ 3.84Å; I63-F71 HydrophobicContact CG1-CE1 3.96Å; I63-F71 HydrophobicContact CG1-CE2 4.19Å; I63-F71 HydrophobicContact CG1-CZ 3.59Å; I63-F71 HydrophobicContact CG2-CD2 4.42Å; I63-F71 HydrophobicContact CG2-CE2 4.1Å; I63-F71 HydrophobicContact CG2-CZ 4.31Å; T67-F71 WeakPolarHBondContact O-CD2 3.37Å; T67-F71 WeakPolarHBondContact O-CE2 3.32Å; Q68-F71 PolarHBondContact O-N 3.38Å; Q68-F71 VanDerWaalsContact O-N 3.14Å; F71-L86 HydrophobicContact CD1-CB 4.37Å; F71-S87 CarbonylContact C-O 3.59Å; F71-S87 WeakPolarHBondContact CA-O 3.47Å; F71-W88 HydrophobicContact CD1-CB 3.91Å; F71-W88 AromaticContact CD1-CD2 3.63Å; F71-W88 HydrophobicContact CD1-CD2 3.63Å; F71-W88 AromaticContact CD1-CE3 3.35Å; F71-W88 HydrophobicContact CD1-CE3 3.35Å; F71-W88 AromaticContact CD1-CG 3.9Å; F71-W88 HydrophobicContact CD1-CG 3.9Å; F71-W88 AromaticContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CE1-CB 4.16Å; F71-W88 AromaticContact CE1-CD2 3.29Å; F71-W88 HydrophobicContact CE1-CD2 3.29Å; F71-W88 AromaticContact CE1-CE2 3.73Å; F71-W88 AromaticContact CE1-CE3 3.36Å; F71-W88 HydrophobicContact CE1-CE3 3.36Å; F71-W88 AromaticContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CH2 4.17Å; F71-W88 HydrophobicContact CE1-CZ2 4.15Å; F71-W88 AromaticContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CG-CB 4.44Å; F71-W88 HydrophobicContact CZ-CD2 4.31Å; F71-W88 HydrophobicContact CZ-CG 4.4Å |
| 72 | Q | 95.3 | Very high | 92.9 | Very high | 148 Ų | 148 | 64.8 Ų | 64.8 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.5 | 168.9 | -64.1 | -172.2 | 25.2 | 0 | 0 | 109.4 | S87 | Q72-S87 WeakPolarHBondContact CB-OG 3.35Å; Q72-S87 PolarHBondContact N-O 2.94Å; Q72-S87 PolarHBondContact O-N 2.82Å; Q72-S87 PolarHBondContact O-OG 3.01Å |
| 73 | V | 95.7 | Very high | 93 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.6 | 179.7 | -175.2 | 0 | 0 | 0 | 0 | 109 | F30 I32 L84 N85 L86 | F30-V73 HydrophobicContact CB-CG2 4.37Å; F30-V73 HydrophobicContact CD1-CG2 3.57Å; F30-V73 HydrophobicContact CE1-CG2 4.34Å; F30-V73 HydrophobicContact CG-CG2 4.37Å; I32-V73 HydrophobicContact CB-CG1 4.15Å; V73-L84 HydrophobicContact CG1-CD1 3.51Å; V73-N85 WeakPolarHBondContact CA-O 3.39Å; V73-L86 HydrophobicContact CG2-CD2 4Å |
| 74 | S | 95.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 176.9 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | N85 | S74-N85 PolarHBondContact N-O 2.84Å; S74-N85 WeakPolarHBondContact O-CA 3.36Å; S74-N85 WeakPolarHBondContact O-CB 3.32Å; S74-N85 PolarHBondContact O-N 3.02Å; S74-N85 WeakPolarHBondContact OG-CB 3.32Å |
| 75 | G | 92.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 63.5 Ų | 63.5 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G83 | G75-G83 CarbonylContact C-O 3.51Å; G75-G83 WeakPolarHBondContact CA-O 3.41Å |
| 76 | V | 93 | Very high | 93.5 | Very high | 95 Ų | 95 | 62 Ų | 62 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.3 | -179.7 | -178 | 0 | 0 | 0 | 0 | 107.6 | E82 G83 | V76-E82 CarbonylContact O-C 3.32Å; V76-E82 WeakPolarHBondContact O-CA 3.33Å; V76-G83 PolarHBondContact N-O 3.43Å; V76-G83 PolarHBondContact O-N 2.9Å |
| 77 | L | 93.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 105.2 | 178.8 | -60.8 | 168.8 | 0 | 0 | 0 | 107.5 | S37 I39 E82 | S37-L77 WeakPolarHBondContact OG-CD2 3.28Å; I39-L77 HydrophobicContact CD1-CD2 4.34Å; I39-L77 HydrophobicContact CG1-CD2 4.22Å; L77-E82 HydrophobicContact CD2-CG 4.39Å |
| 78 | G | 90.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | trans | -129.7 | 162.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E80 I81 | G78-E80 VanDerWaalsContact C-N 3.32Å; G78-E80 PolarHBondContact O-N 2.78Å; G78-I81 CarbonylContact C-O 3.4Å; G78-I81 WeakPolarHBondContact CA-O 3.02Å; G78-I81 PolarHBondContact N-O 3.46Å | ||
| 79 | N | 89.5 | Confident | 94 | Very high | 148 Ų | 148 | 61.2 Ų | 61.2 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -67.4 | -33.3 | -176 | -68.7 | -18.7 | 0 | 0 | 0 | 113.2 | K105 | N79-K105 WeakPolarHBondContact O-CD 3.24Š|
| 80 | E | 92.7 | Very high | 93.9 | Very high | 150 Ų | 150 | 58.5 Ų | 58.5 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -108.8 | -26.8 | -179.3 | -63.4 | -172.5 | 172.5 | 0 | 0 | 112.9 | G78 K105 | G78-E80 VanDerWaalsContact C-N 3.32Å; G78-E80 PolarHBondContact O-N 2.78Å; E80-K105 PolarHBondContact O-N 3.26Å |
| 81 | I | 94.1 | Very high | 93.2 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.3 | -175.6 | -57.1 | 178.8 | 0 | 0 | 0 | 108.8 | G78 R102 F103 | G78-I81 CarbonylContact C-O 3.4Å; G78-I81 WeakPolarHBondContact CA-O 3.02Å; G78-I81 PolarHBondContact N-O 3.46Å; I81-R102 HydrophobicContact CG2-CG 3.69Å; I81-F103 WeakPolarHBondContact CA-O 3.31Å |
| 82 | E | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.5 | 172.2 | -81.8 | -177.9 | -169.3 | 0 | 0 | 109.5 | S37 I39 V76 L77 R102 F103 F177 | S37-E82 WeakPolarHBondContact CB-OE1 3.38Å; S37-E82 VanDerWaalsContact OG-CD 3.26Å; S37-E82 PolarHBondContact OG-OE1 3.2Å; I39-E82 HydrophobicContact CD1-CB 3.83Å; I39-E82 HydrophobicContact CG1-CB 4.13Å; I39-E82 VanDerWaalsContact CG1-OE2 3.25Å; I39-E82 WeakPolarHBondContact CG1-OE2 3.28Å; V76-E82 CarbonylContact O-C 3.32Å; V76-E82 WeakPolarHBondContact O-CA 3.33Å; L77-E82 HydrophobicContact CD2-CG 4.39Å; E82-R102 CarbonylContact O-C 3.52Å; E82-F103 HydrophobicContact CB-CB 4.4Å; E82-F103 PolarHBondContact N-O 3.2Å; E82-F103 PolarHBondContact O-N 2.87Å; E82-F177 HydrophobicContact CB-CE1 4.04Å; E82-F177 HydrophobicContact CB-CE2 4.35Å; E82-F177 HydrophobicContact CB-CZ 3.89Å; E82-F177 VanDerWaalsContact CD-CD1 3.41Å; E82-F177 HydrophobicContact CG-CD1 3.83Å; E82-F177 HydrophobicContact CG-CE1 3.51Å; E82-F177 HydrophobicContact CG-CG 4.48Å; E82-F177 HydrophobicContact CG-CZ 3.9Å; E82-F177 VanDerWaalsContact OE1-CA 3.22Å; E82-F177 WeakPolarHBondContact OE1-CA 3.33Å; E82-F177 WeakPolarHBondContact OE1-CD1 3.39Å; E82-F177 PolarHBondContact OE1-N 3.25Å; E82-F177 PolarHBondContact OE2-N 2.8Å |
| 83 | G | 95.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 59 Ų | 59 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G75 V76 F101 | G75-G83 CarbonylContact C-O 3.51Å; G75-G83 WeakPolarHBondContact CA-O 3.41Å; V76-G83 PolarHBondContact N-O 3.43Å; V76-G83 PolarHBondContact O-N 2.9Å; G83-F101 CarbonylContact C-O 3.59Å; G83-F101 VanDerWaalsContact CA-O 3.27Å; G83-F101 WeakPolarHBondContact CA-O 3.34Å |
| 84 | L | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.4 | 170 | 175.2 | 71.8 | 0 | 0 | 0 | 108.9 | F30 I32 I39 L41 V73 L86 T100 F101 | F30-L84 HydrophobicContact CB-CD2 4.32Å; I32-L84 HydrophobicContact CB-CD1 4.35Å; I32-L84 HydrophobicContact CG2-CD1 3.68Å; I39-L84 HydrophobicContact CD1-CB 4.05Å; I39-L84 HydrophobicContact CG2-CB 4.36Å; L41-L84 HydrophobicContact CB-CD2 3.81Å; L41-L84 HydrophobicContact CD1-CD2 3.95Å; L41-L84 HydrophobicContact CG-CD2 4.41Å; V73-L84 HydrophobicContact CG1-CD1 3.51Å; L84-L86 HydrophobicContact CD1-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.34Å; L84-T100 CarbonylContact O-C 3.49Å; L84-T100 WeakPolarHBondContact O-CA 3.42Å; L84-F101 HydrophobicContact CB-CB 4.3Å; L84-F101 HydrophobicContact CD2-CD2 4.31Å; L84-F101 PolarHBondContact N-O 2.93Å; L84-F101 PolarHBondContact O-N 2.84Å |
| 85 | N | 96.9 | Very high | 90.5 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.2 | 178.1 | -67.4 | -15.7 | 0 | 0 | 0 | 109.8 | V73 S74 L99 T100 | V73-N85 WeakPolarHBondContact CA-O 3.39Å; S74-N85 PolarHBondContact N-O 2.84Å; S74-N85 WeakPolarHBondContact O-CA 3.36Å; S74-N85 WeakPolarHBondContact O-CB 3.32Å; S74-N85 PolarHBondContact O-N 3.02Å; S74-N85 WeakPolarHBondContact OG-CB 3.32Å; N85-L99 WeakPolarHBondContact CA-O 3.33Å; N85-T100 VanDerWaalsContact OD1-CB 3.23Å; N85-T100 WeakPolarHBondContact OD1-CB 3.45Å; N85-T100 WeakPolarHBondContact OD1-CG2 3.24Å; N85-T100 PolarHBondContact OD1-OG1 2.83Å |
| 86 | L | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.5 | 170.7 | -53.8 | -178.1 | 0 | 0 | 0 | 108 | F30 F71 V73 L84 W88 N98 L99 F101 | F30-L86 HydrophobicContact CB-CD2 4.15Å; F30-L86 HydrophobicContact CD1-CD2 3.71Å; F30-L86 HydrophobicContact CD2-CD1 3.87Å; F30-L86 HydrophobicContact CD2-CD2 4.03Å; F30-L86 HydrophobicContact CE1-CD2 4.06Å; F30-L86 HydrophobicContact CE2-CD1 3.71Å; F30-L86 HydrophobicContact CE2-CD2 4.36Å; F30-L86 HydrophobicContact CG-CD1 4.38Å; F30-L86 HydrophobicContact CG-CD2 3.67Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 4.36Å; F71-L86 HydrophobicContact CD1-CB 4.37Å; V73-L86 HydrophobicContact CG2-CD2 4Å; L84-L86 HydrophobicContact CD1-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.34Å; L86-W88 WeakPolarHBondContact O-CZ3 3.41Å; L86-N98 WeakPolarHBondContact O-CA 3.32Å; L86-L99 HydrophobicContact CB-CB 4.48Å; L86-L99 PolarHBondContact N-O 2.8Å; L86-L99 PolarHBondContact O-N 2.73Å; L86-F101 HydrophobicContact CD1-CE2 4.03Å; L86-F101 HydrophobicContact CG-CE2 4.44Å |
| 87 | S | 96 | Very high | 90.7 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.6 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | F71 Q72 W97 N98 | F71-S87 CarbonylContact C-O 3.59Å; F71-S87 WeakPolarHBondContact CA-O 3.47Å; Q72-S87 WeakPolarHBondContact CB-OG 3.35Å; Q72-S87 PolarHBondContact N-O 2.94Å; Q72-S87 PolarHBondContact O-N 2.82Å; Q72-S87 PolarHBondContact O-OG 3.01Å; S87-W97 WeakPolarHBondContact CA-O 3.34Å; S87-N98 WeakPolarHBondContact CA-OD1 2.83Å; S87-N98 WeakPolarHBondContact CB-OD1 3.35Å |
| 88 | W | 95.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 60 Ų | 60 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.6 | 176.9 | 71.1 | 103.1 | 0 | 0 | 0 | 110.7 | I47 V61 F71 L86 W97 L99 F117 | I47-W88 HydrophobicContact CD1-CH2 3.5Å; I47-W88 VanDerWaalsContact CD1-CH2 3.5Å; I47-W88 HydrophobicContact CD1-CZ2 3.87Å; V61-W88 HydrophobicContact CB-CZ2 4.5Å; V61-W88 HydrophobicContact CG1-CZ2 3.96Å; V61-W88 HydrophobicContact CG2-CZ2 4.39Å; F71-W88 HydrophobicContact CD1-CB 3.91Å; F71-W88 AromaticContact CD1-CD2 3.63Å; F71-W88 HydrophobicContact CD1-CD2 3.63Å; F71-W88 AromaticContact CD1-CE3 3.35Å; F71-W88 HydrophobicContact CD1-CE3 3.35Å; F71-W88 AromaticContact CD1-CG 3.9Å; F71-W88 HydrophobicContact CD1-CG 3.9Å; F71-W88 AromaticContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CE1-CB 4.16Å; F71-W88 AromaticContact CE1-CD2 3.29Å; F71-W88 HydrophobicContact CE1-CD2 3.29Å; F71-W88 AromaticContact CE1-CE2 3.73Å; F71-W88 AromaticContact CE1-CE3 3.36Å; F71-W88 HydrophobicContact CE1-CE3 3.36Å; F71-W88 AromaticContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CH2 4.17Å; F71-W88 HydrophobicContact CE1-CZ2 4.15Å; F71-W88 AromaticContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CG-CB 4.44Å; F71-W88 HydrophobicContact CZ-CD2 4.31Å; F71-W88 HydrophobicContact CZ-CG 4.4Å; L86-W88 WeakPolarHBondContact O-CZ3 3.41Å; W88-W97 HydrophobicContact CD2-CB 4.27Å; W88-W97 HydrophobicContact CZ2-CB 4.18Å; W88-W97 AromaticContact CZ2-CE3 3.86Å; W88-W97 HydrophobicContact CZ2-CE3 3.86Å; W88-W97 PolarHBondContact N-O 3.46Å; W88-W97 PolarHBondContact O-N 2.76Å; W88-L99 HydrophobicContact CH2-CB 4.07Å; W88-L99 HydrophobicContact CZ3-CB 3.84Å; W88-F117 HydrophobicContact CH2-CD2 4.33Å; W88-F117 AromaticContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CZ 4.26Å; W88-F117 AromaticContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CZ 4.22Å; W88-F117 HydrophobicContact CZ3-CE2 4.41Å |
| 89 | K | 92.4 | Very high | 91.1 | Very high | 120 Ų | 120 | 58.9 Ų | 58.9 | 52% | 0.522 | 31% | 0.307 | S | S | . | . | trans | -107.5 | 112.4 | 173.4 | -170.4 | 169.5 | 176.9 | 167.2 | 0 | 108.3 | S93 N94 | K89-S93 WeakPolarHBondContact CE-O 3.21Å; K89-N94 VanDerWaalsContact CE-O 3.31Å; K89-N94 WeakPolarHBondContact CE-O 3.19Å; K89-N94 PolarHBondContact NZ-O 2.88Å; K89-N94 VanDerWaalsContact NZ-O 3.14Å | ||
| 90 | P | 88.2 | Confident | 91.5 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | trans | -62.6 | 149.4 | 176.8 | -11 | 17.7 | 0 | 0 | 0 | 111.4 | Q92 S93 W97 | P90-Q92 PolarHBondContact O-N 2.5Å; P90-S93 PolarHBondContact O-N 3.21Å; P90-W97 HydrophobicContact CB-CZ2 4.47Å; P90-W97 HydrophobicContact CG-CB 4.44Å; P90-W97 HydrophobicContact CG-CD2 3.27Å; P90-W97 HydrophobicContact CG-CE3 3.71Å; P90-W97 HydrophobicContact CG-CG 3.6Å; P90-W97 HydrophobicContact CG-CH2 4.17Å; P90-W97 HydrophobicContact CG-CZ2 3.75Å; P90-W97 HydrophobicContact CG-CZ3 4.15Å | ||
| 91 | D | 78.5 | Confident | 91.6 | Very high | 138 Ų | 138 | 46.1 Ų | 46.1 | 74% | 0.738 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127.6 | 170.4 | -62.6 | -40.8 | 0 | 0 | 0 | 108.5 | S93 | D91-S93 VanDerWaalsContact C-N 3.33Å; D91-S93 PolarHBondContact O-N 2.79Å |
| 92 | Q | 76.8 | Confident | 91.7 | Very high | 167 Ų | 167 | 46.5 Ų | 46.5 | 78% | 0.78 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -1.7 | -175.6 | -42.1 | 176.4 | 11.1 | 0 | 0 | 116.6 | P90 L122 | P90-Q92 PolarHBondContact O-N 2.5Å; Q92-L122 HydrophobicContact CB-CD1 3.73Å; Q92-L122 VanDerWaalsContact O-CD1 3.31Å; Q92-L122 WeakPolarHBondContact O-CD1 3.31Å; Q92-L122 VanDerWaalsContact O-CD2 3.32Å; Q92-L122 WeakPolarHBondContact O-CD2 3.02Å; Q92-L122 WeakPolarHBondContact O-CG 3.35Å |
| 93 | S | 79.1 | Confident | 91.8 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -92.5 | 140.3 | 169.8 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | K89 P90 D91 S95 | K89-S93 WeakPolarHBondContact CE-O 3.21Å; P90-S93 PolarHBondContact O-N 3.21Å; D91-S93 VanDerWaalsContact C-N 3.33Å; D91-S93 PolarHBondContact O-N 2.79Å; S93-S95 PolarHBondContact OG-N 2.89Å; S93-S95 VanDerWaalsContact OG-N 3.09Å; S93-S95 PolarHBondContact OG-O 2.89Å | ||
| 94 | N | 80.2 | Confident | 91.8 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 75% | 0.749 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -83 | -19.5 | 169.3 | -80.1 | -29.5 | 0 | 0 | 0 | 113 | K89 | K89-N94 VanDerWaalsContact CE-O 3.31Å; K89-N94 WeakPolarHBondContact CE-O 3.19Å; K89-N94 PolarHBondContact NZ-O 2.88Å; K89-N94 VanDerWaalsContact NZ-O 3.14Å |
| 95 | S | 88.8 | Confident | 91.7 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -101.6 | 144.6 | -174.8 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | S93 E120 | S93-S95 PolarHBondContact OG-N 2.89Å; S93-S95 VanDerWaalsContact OG-N 3.09Å; S93-S95 PolarHBondContact OG-O 2.89Å; S95-E120 WeakPolarHBondContact CB-OE2 3.26Å; S95-E120 PolarHBondContact OG-OE2 2.92Å |
| 96 | T | 93 | Very high | 91.5 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 127.9 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 97 | W | 95.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 143.9 | 172.2 | -68.1 | 14.4 | 0 | 0 | 0 | 109.4 | L49 V59 V61 S87 W88 P90 F117 V118 E120 L121 | L49-W97 HydrophobicContact CD1-CH2 3.53Å; L49-W97 HydrophobicContact CD1-CZ3 3.54Å; V59-W97 HydrophobicContact CG1-CH2 4.21Å; V61-W97 HydrophobicContact CG2-CE3 4.46Å; V61-W97 HydrophobicContact CG2-CZ3 3.89Å; S87-W97 WeakPolarHBondContact CA-O 3.34Å; W88-W97 HydrophobicContact CD2-CB 4.27Å; W88-W97 HydrophobicContact CZ2-CB 4.18Å; W88-W97 AromaticContact CZ2-CE3 3.86Å; W88-W97 HydrophobicContact CZ2-CE3 3.86Å; W88-W97 PolarHBondContact N-O 3.46Å; W88-W97 PolarHBondContact O-N 2.76Å; P90-W97 HydrophobicContact CB-CZ2 4.47Å; P90-W97 HydrophobicContact CG-CB 4.44Å; P90-W97 HydrophobicContact CG-CD2 3.27Å; P90-W97 HydrophobicContact CG-CE3 3.71Å; P90-W97 HydrophobicContact CG-CG 3.6Å; P90-W97 HydrophobicContact CG-CH2 4.17Å; P90-W97 HydrophobicContact CG-CZ2 3.75Å; P90-W97 HydrophobicContact CG-CZ3 4.15Å; W97-F117 HydrophobicContact CB-CE2 4.29Å; W97-F117 HydrophobicContact CD2-CZ 4.19Å; W97-F117 HydrophobicContact CE3-CE1 4.48Å; W97-F117 HydrophobicContact CE3-CE2 4.16Å; W97-F117 AromaticContact CE3-CZ 3.49Å; W97-F117 HydrophobicContact CE3-CZ 3.49Å; W97-F117 VanDerWaalsContact CE3-CZ 3.49Å; W97-F117 AromaticContact CZ3-CZ 3.94Å; W97-F117 HydrophobicContact CZ3-CZ 3.94Å; W97-V118 VanDerWaalsContact CA-O 3.32Å; W97-V118 WeakPolarHBondContact CA-O 3.47Å; W97-E120 VanDerWaalsContact CE2-O 3.25Å; W97-E120 WeakPolarHBondContact CZ2-O 3.43Å; W97-E120 VanDerWaalsContact NE1-N 3.12Å; W97-E120 PolarHBondContact NE1-O 3.49Å; W97-L121 HydrophobicContact CH2-CD2 4.06Å; W97-L121 HydrophobicContact CZ2-CD2 4.04Å |
| 98 | N | 96.2 | Very high | 91 | Very high | 58 Ų | 58 | 66.7 Ų | 66.7 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.2 | -177.7 | -69.6 | -25.2 | 0 | 0 | 0 | 110.4 | L86 S87 F117 V118 | L86-N98 WeakPolarHBondContact O-CA 3.32Å; S87-N98 WeakPolarHBondContact CA-OD1 2.83Å; S87-N98 WeakPolarHBondContact CB-OD1 3.35Å; N98-F117 WeakPolarHBondContact O-CA 3.38Å; N98-F117 WeakPolarHBondContact O-CD2 3.31Å; N98-V118 HydrophobicContact CB-CB 4.41Å; N98-V118 PolarHBondContact N-O 2.95Å; N98-V118 PolarHBondContact O-N 3.48Å |
| 99 | L | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.4 | 167.9 | -179 | 66.1 | 0 | 0 | 0 | 108.9 | I47 N85 L86 W88 F101 I115 F117 L167 | I47-L99 HydrophobicContact CD1-CD2 4.02Å; N85-L99 WeakPolarHBondContact CA-O 3.33Å; L86-L99 HydrophobicContact CB-CB 4.48Å; L86-L99 PolarHBondContact N-O 2.8Å; L86-L99 PolarHBondContact O-N 2.73Å; W88-L99 HydrophobicContact CH2-CB 4.07Å; W88-L99 HydrophobicContact CZ3-CB 3.84Å; L99-F101 HydrophobicContact CD2-CE2 3.63Å; L99-F101 HydrophobicContact CD2-CZ 3.65Å; L99-F101 HydrophobicContact CG-CD2 4.47Å; L99-F101 HydrophobicContact CG-CE2 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.09Å; L99-I115 HydrophobicContact CD1-CD1 4.21Å; L99-I115 HydrophobicContact CD1-CG1 4.03Å; L99-F117 HydrophobicContact CB-CD2 4.16Å; L99-F117 HydrophobicContact CD1-CB 4.09Å; L99-F117 HydrophobicContact CD1-CD2 4.18Å; L99-F117 HydrophobicContact CD1-CG 4.46Å; L99-L167 HydrophobicContact CD1-CD1 4.13Å; L99-L167 HydrophobicContact CD1-CD2 4.44Å |
| 100 | T | 96.4 | Very high | 91.1 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.5 | -175.5 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | L84 N85 I115 S116 | L84-T100 CarbonylContact O-C 3.49Å; L84-T100 WeakPolarHBondContact O-CA 3.42Å; N85-T100 VanDerWaalsContact OD1-CB 3.23Å; N85-T100 WeakPolarHBondContact OD1-CB 3.45Å; N85-T100 WeakPolarHBondContact OD1-CG2 3.24Å; N85-T100 PolarHBondContact OD1-OG1 2.83Å; T100-I115 VanDerWaalsContact O-CA 3.31Å; T100-I115 WeakPolarHBondContact O-CA 3.27Å; T100-S116 WeakPolarHBondContact CB-OG 3.31Å; T100-S116 PolarHBondContact N-O 2.9Å; T100-S116 PolarHBondContact O-N 3.25Å |
| 101 | F | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122 | 171 | -60 | -98.8 | 0 | 0 | 0 | 108.3 | L41 I45 G83 L84 L86 L99 F103 L112 I115 F169 | L41-F101 HydrophobicContact CD1-CD1 4.18Å; L41-F101 HydrophobicContact CD1-CD2 4.48Å; L41-F101 HydrophobicContact CD1-CE1 4.09Å; L41-F101 HydrophobicContact CD1-CE2 4.42Å; L41-F101 HydrophobicContact CD1-CG 4.38Å; L41-F101 HydrophobicContact CD1-CZ 4.23Å; I45-F101 HydrophobicContact CD1-CZ 4.11Å; G83-F101 CarbonylContact C-O 3.59Å; G83-F101 VanDerWaalsContact CA-O 3.27Å; G83-F101 WeakPolarHBondContact CA-O 3.34Å; L84-F101 HydrophobicContact CB-CB 4.3Å; L84-F101 HydrophobicContact CD2-CD2 4.31Å; L84-F101 PolarHBondContact N-O 2.93Å; L84-F101 PolarHBondContact O-N 2.84Å; L86-F101 HydrophobicContact CD1-CE2 4.03Å; L86-F101 HydrophobicContact CG-CE2 4.44Å; L99-F101 HydrophobicContact CD2-CE2 3.63Å; L99-F101 HydrophobicContact CD2-CZ 3.65Å; L99-F101 HydrophobicContact CG-CD2 4.47Å; L99-F101 HydrophobicContact CG-CE2 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.09Å; F101-F103 HydrophobicContact CB-CE2 3.79Å; F101-F103 HydrophobicContact CB-CZ 4.14Å; F101-L112 HydrophobicContact CB-CD1 3.73Å; F101-L112 HydrophobicContact CD1-CD1 4.15Å; F101-L112 HydrophobicContact CD1-CD2 4.2Å; F101-L112 HydrophobicContact CG-CD1 4.46Å; F101-I115 HydrophobicContact CD1-CD1 3.69Å; F101-I115 HydrophobicContact CD1-CG1 4.32Å; F101-I115 HydrophobicContact CE1-CD1 3.38Å; F101-I115 HydrophobicContact CE1-CG1 4.4Å; F101-I115 HydrophobicContact CG-CD1 4.5Å; F101-I115 HydrophobicContact CZ-CD1 3.98Å; F101-F169 AromaticContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CZ 4.11Å; F101-F169 HydrophobicContact CZ-CE1 4.11Å |
| 102 | R | 96.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 56.8 Ų | 56.8 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.2 | -180 | -172.5 | 166.5 | 66.2 | 98.9 | -4.2 | 111 | I81 E82 S113 E114 | I81-R102 HydrophobicContact CG2-CG 3.69Å; E82-R102 CarbonylContact O-C 3.52Å; R102-S113 PolarHBondContact O-N 2.99Å; R102-S113 PolarHBondContact O-OG 2.73Å; R102-E114 HydrophobicContact CB-CB 4.22Å; R102-E114 IonicContact CZ-OE2 2.75Å; R102-E114 PolarHBondContact N-O 2.98Å; R102-E114 IonicContact NE-OE2 2.75Å; R102-E114 PolarHBondContact NE-OE2 3Å; R102-E114 IonicContact NH2-OE2 2.59Å; R102-E114 PolarHBondContact NH2-OE2 2.76Å; R102-E114 PolarHBondContact O-N 3.27Å |
| 103 | F | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.2 | 176.4 | -59 | -84.6 | 0 | 0 | 0 | 110.5 | I39 I81 E82 F101 Y110 N111 L112 V174 A176 F177 | I39-F103 HydrophobicContact CD1-CD2 4.39Å; I39-F103 HydrophobicContact CG2-CD2 4.45Å; I39-F103 HydrophobicContact CG2-CE2 4.06Å; I81-F103 WeakPolarHBondContact CA-O 3.31Å; E82-F103 HydrophobicContact CB-CB 4.4Å; E82-F103 PolarHBondContact N-O 3.2Å; E82-F103 PolarHBondContact O-N 2.87Å; F101-F103 HydrophobicContact CB-CE2 3.79Å; F101-F103 HydrophobicContact CB-CZ 4.14Å; F103-Y110 HydrophobicContact CD1-CD2 4.27Å; F103-N111 CarbonylContact C-O 3.48Å; F103-N111 WeakPolarHBondContact CA-O 3.35Å; F103-L112 HydrophobicContact CD1-CB 4.09Å; F103-L112 HydrophobicContact CD1-CD1 4.1Å; F103-L112 HydrophobicContact CD2-CD1 4.49Å; F103-L112 HydrophobicContact CE1-CB 3.87Å; F103-L112 HydrophobicContact CE1-CD1 3.76Å; F103-L112 HydrophobicContact CE1-CG 4.4Å; F103-L112 HydrophobicContact CE2-CD1 4.17Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; F103-L112 HydrophobicContact CZ-CD1 3.77Å; F103-V174 HydrophobicContact CE1-CG1 4.46Å; F103-V174 HydrophobicContact CE1-CG2 3.75Å; F103-V174 HydrophobicContact CE2-CG2 4.39Å; F103-V174 HydrophobicContact CZ-CG2 3.49Å; F103-V174 VanDerWaalsContact CZ-CG2 3.49Å; F103-A176 HydrophobicContact CB-CB 3.93Å; F103-A176 HydrophobicContact CD1-CB 4.06Å; F103-A176 HydrophobicContact CD2-CB 4.13Å; F103-A176 HydrophobicContact CG-CB 3.75Å; F103-F177 HydrophobicContact CB-CE2 3.9Å; F103-F177 HydrophobicContact CB-CZ 4.49Å |
| 104 | A | 96.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y110 N111 | A104-Y110 VanDerWaalsContact O-CA 3.24Å; A104-Y110 WeakPolarHBondContact O-CA 3.48Å; A104-N111 PolarHBondContact N-O 3.13Å; A104-N111 PolarHBondContact O-N 3.02Å |
| 105 | K | 94.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.3 | 172.9 | 179.8 | 173.5 | 169.4 | 175.6 | 0 | 109.8 | N79 E80 I141 F177 | N79-K105 WeakPolarHBondContact O-CD 3.24Å; E80-K105 PolarHBondContact O-N 3.26Å; K105-I141 HydrophobicContact CD-CD1 4.06Å; K105-I141 VanDerWaalsContact CE-CD1 3.48Å; K105-I141 HydrophobicContact CG-CD1 4.01Å; K105-F177 HydrophobicContact CB-CD1 4.18Å; K105-F177 HydrophobicContact CB-CD2 4.26Å; K105-F177 HydrophobicContact CB-CE1 3.75Å; K105-F177 HydrophobicContact CB-CE2 3.85Å; K105-F177 HydrophobicContact CB-CG 4.42Å; K105-F177 HydrophobicContact CB-CZ 3.57Å; K105-F177 HydrophobicContact CD-CD1 4.1Å; K105-F177 HydrophobicContact CD-CE1 4.34Å; K105-F177 HydrophobicContact CD-CG 4.42Å |
| 106 | S | 92.5 | Very high | 95 | Very high | 73 Ų | 73 | 43.2 Ų | 43.2 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | trans | -110.1 | -175.7 | 164.8 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | N108 S109 | S106-N108 PolarHBondContact O-N 3.4Å; S106-S109 WeakPolarHBondContact CA-O 3.35Å; S106-S109 PolarHBondContact N-O 3.49Å | ||
| 107 | E | 89.1 | Confident | 95.1 | Very high | 172 Ų | 172 | 39.5 Ų | 39.5 | 80% | 0.804 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -47.8 | -53.6 | -174.1 | -71.8 | -175.3 | 161.3 | 0 | 0 | 113.4 | ||
| 108 | N | 92 | Very high | 95.1 | Very high | 129 Ų | 129 | 40.6 Ų | 40.6 | 69% | 0.69 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -129.1 | 9.1 | -176.8 | -73.5 | -26.5 | 0 | 0 | 0 | 114 | S106 A140 I141 | S106-N108 PolarHBondContact O-N 3.4Å; N108-A140 WeakPolarHBondContact O-CA 3.37Å; N108-I141 PolarHBondContact O-N 3.09Å |
| 109 | S | 94.4 | Very high | 95 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 163 | -177.1 | 63.9 | 0 | 0 | 0 | 0 | 111 | S106 A139 | S106-S109 WeakPolarHBondContact CA-O 3.35Å; S106-S109 PolarHBondContact N-O 3.49Å; S109-A139 CarbonylContact C-O 3.55Å; S109-A139 VanDerWaalsContact CA-O 3.26Å; S109-A139 WeakPolarHBondContact CA-O 3.12Å; S109-A139 VanDerWaalsContact CB-O 3.31Å; S109-A139 WeakPolarHBondContact CB-O 3.32Å |
| 110 | Y | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.8 | 167.6 | 67.2 | -90 | 0 | 0 | 0 | 109.6 | F103 A104 S138 A139 A140 S143 V174 Q175 A176 F177 | F103-Y110 HydrophobicContact CD1-CD2 4.27Å; A104-Y110 VanDerWaalsContact O-CA 3.24Å; A104-Y110 WeakPolarHBondContact O-CA 3.48Å; Y110-S138 WeakPolarHBondContact O-CA 3.37Å; Y110-A139 WeakPolarHBondContact CD1-O 3.04Å; Y110-A139 HydrophobicContact CE1-CB 3.89Å; Y110-A139 HydrophobicContact CE2-CB 4.3Å; Y110-A139 PolarHBondContact N-O 3.07Å; Y110-A139 PolarHBondContact O-N 3.33Å; Y110-A140 WeakPolarHBondContact CE1-O 3.39Å; Y110-S143 PolarHBondContact OH-O 3.46Å; Y110-V174 PolarHBondContact OH-O 2.75Å; Y110-V174 VanDerWaalsContact OH-O 3.05Å; Y110-Q175 WeakPolarHBondContact OH-CA 3.23Å; Y110-A176 HydrophobicContact CD2-CB 3.89Å; Y110-A176 HydrophobicContact CE2-CB 3.99Å; Y110-A176 HydrophobicContact CG-CB 4.38Å; Y110-F177 HydrophobicContact CD1-CD2 4.48Å; Y110-F177 AromaticContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CE2 4.48Å |
| 111 | N | 95.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160 | 171.6 | 63.2 | 28.5 | 0 | 0 | 0 | 110.4 | F103 A104 S113 S138 | F103-N111 CarbonylContact C-O 3.48Å; F103-N111 WeakPolarHBondContact CA-O 3.35Å; A104-N111 PolarHBondContact N-O 3.13Å; A104-N111 PolarHBondContact O-N 3.02Å; N111-S113 PolarHBondContact O-N 3.5Å; N111-S138 VanDerWaalsContact CB-OG 3.26Å; N111-S138 WeakPolarHBondContact CB-OG 3.03Å |
| 112 | L | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 104.8 | 163.5 | -177 | 71 | 0 | 0 | 0 | 107.3 | F101 F103 I115 S135 L136 F137 | F101-L112 HydrophobicContact CB-CD1 3.73Å; F101-L112 HydrophobicContact CD1-CD1 4.15Å; F101-L112 HydrophobicContact CD1-CD2 4.2Å; F101-L112 HydrophobicContact CG-CD1 4.46Å; F103-L112 HydrophobicContact CD1-CB 4.09Å; F103-L112 HydrophobicContact CD1-CD1 4.1Å; F103-L112 HydrophobicContact CD2-CD1 4.49Å; F103-L112 HydrophobicContact CE1-CB 3.87Å; F103-L112 HydrophobicContact CE1-CD1 3.76Å; F103-L112 HydrophobicContact CE1-CG 4.4Å; F103-L112 HydrophobicContact CE2-CD1 4.17Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; F103-L112 HydrophobicContact CZ-CD1 3.77Å; L112-I115 HydrophobicContact CD2-CB 4.3Å; L112-S135 WeakPolarHBondContact O-CA 3.32Å; L112-L136 HydrophobicContact CB-CB 4.23Å; L112-L136 HydrophobicContact CD2-CB 4.32Å; L112-L136 PolarHBondContact N-O 3.42Å; L112-L136 PolarHBondContact O-N 3.01Å; L112-F137 HydrophobicContact CB-CB 4.36Å; L112-F137 HydrophobicContact CB-CD2 3.96Å; L112-F137 HydrophobicContact CB-CG 4.45Å; L112-F137 HydrophobicContact CD2-CD2 3.56Å; L112-F137 HydrophobicContact CD2-CE2 3.47Å; L112-F137 VanDerWaalsContact CD2-CE2 3.47Å; L112-F137 HydrophobicContact CD2-CZ 4.42Å; L112-F137 HydrophobicContact CG-CD2 4.35Å |
| 113 | S | 94.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -32.1 | -177.1 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | R102 N111 N133 | R102-S113 PolarHBondContact O-N 2.99Å; R102-S113 PolarHBondContact O-OG 2.73Å; N111-S113 PolarHBondContact O-N 3.5Å; S113-N133 CarbonylContact O-C 3.54Å; S113-N133 WeakPolarHBondContact O-CA 3.38Å |
| 114 | E | 95.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 142.5 | -179.3 | 175.8 | 176.5 | -130.9 | 0 | 0 | 109.7 | R102 N132 N133 | R102-E114 HydrophobicContact CB-CB 4.22Å; R102-E114 IonicContact CZ-OE2 2.75Å; R102-E114 PolarHBondContact N-O 2.98Å; R102-E114 IonicContact NE-OE2 2.75Å; R102-E114 PolarHBondContact NE-OE2 3Å; R102-E114 IonicContact NH2-OE2 2.59Å; R102-E114 PolarHBondContact NH2-OE2 2.76Å; R102-E114 PolarHBondContact O-N 3.27Å; E114-N132 WeakPolarHBondContact CA-O 3.44Å; E114-N133 PolarHBondContact OE1-OD1 2.94Å |
| 115 | I | 95.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132 | 164.5 | -174.8 | 163 | 0 | 0 | 0 | 108.4 | L99 T100 F101 L112 S131 N132 L153 L155 L167 F169 | L99-I115 HydrophobicContact CD1-CD1 4.21Å; L99-I115 HydrophobicContact CD1-CG1 4.03Å; T100-I115 VanDerWaalsContact O-CA 3.31Å; T100-I115 WeakPolarHBondContact O-CA 3.27Å; F101-I115 HydrophobicContact CD1-CD1 3.69Å; F101-I115 HydrophobicContact CD1-CG1 4.32Å; F101-I115 HydrophobicContact CE1-CD1 3.38Å; F101-I115 HydrophobicContact CE1-CG1 4.4Å; F101-I115 HydrophobicContact CG-CD1 4.5Å; F101-I115 HydrophobicContact CZ-CD1 3.98Å; L112-I115 HydrophobicContact CD2-CB 4.3Å; I115-S131 CarbonylContact O-C 3.59Å; I115-S131 WeakPolarHBondContact O-CA 3.37Å; I115-N132 HydrophobicContact CG2-CB 3.98Å; I115-N132 PolarHBondContact N-O 3.45Å; I115-N132 PolarHBondContact O-N 2.97Å; I115-L153 HydrophobicContact CG2-CD2 3.58Å; I115-L155 HydrophobicContact CG2-CD2 3.66Å; I115-L167 HydrophobicContact CD1-CD1 3.42Å; I115-L167 VanDerWaalsContact CD1-CD1 3.42Å; I115-L167 HydrophobicContact CG1-CD1 4.01Å; I115-F169 HydrophobicContact CD1-CZ 3.8Å |
| 116 | S | 95.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.1 | -178.9 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | T100 Y129 A130 | T100-S116 WeakPolarHBondContact CB-OG 3.31Å; T100-S116 PolarHBondContact N-O 2.9Å; T100-S116 PolarHBondContact O-N 3.25Å; S116-Y129 WeakPolarHBondContact CB-OH 3.4Å; S116-A130 CarbonylContact C-O 3.57Å; S116-A130 WeakPolarHBondContact CA-O 3.47Å |
| 117 | F | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.4 | 179.5 | -175.9 | -130.7 | 0 | 0 | 0 | 110.2 | I47 L49 W88 W97 N98 L99 Y119 A130 L155 V165 | I47-F117 HydrophobicContact CD1-CE2 4.26Å; I47-F117 HydrophobicContact CD1-CZ 4.42Å; I47-F117 HydrophobicContact CG2-CD1 4.38Å; I47-F117 HydrophobicContact CG2-CE1 3.91Å; I47-F117 HydrophobicContact CG2-CZ 4.13Å; L49-F117 HydrophobicContact CD1-CE1 4.27Å; L49-F117 HydrophobicContact CD2-CE1 4.16Å; L49-F117 HydrophobicContact CG-CE1 4.45Å; W88-F117 HydrophobicContact CH2-CD2 4.33Å; W88-F117 AromaticContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CZ 4.26Å; W88-F117 AromaticContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CZ 4.22Å; W88-F117 HydrophobicContact CZ3-CE2 4.41Å; W97-F117 HydrophobicContact CB-CE2 4.29Å; W97-F117 HydrophobicContact CD2-CZ 4.19Å; W97-F117 HydrophobicContact CE3-CE1 4.48Å; W97-F117 HydrophobicContact CE3-CE2 4.16Å; W97-F117 AromaticContact CE3-CZ 3.49Å; W97-F117 HydrophobicContact CE3-CZ 3.49Å; W97-F117 VanDerWaalsContact CE3-CZ 3.49Å; W97-F117 AromaticContact CZ3-CZ 3.94Å; W97-F117 HydrophobicContact CZ3-CZ 3.94Å; N98-F117 WeakPolarHBondContact O-CA 3.38Å; N98-F117 WeakPolarHBondContact O-CD2 3.31Å; L99-F117 HydrophobicContact CB-CD2 4.16Å; L99-F117 HydrophobicContact CD1-CB 4.09Å; L99-F117 HydrophobicContact CD1-CD2 4.18Å; L99-F117 HydrophobicContact CD1-CG 4.46Å; F117-Y119 AromaticContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CD1 3.42Å; F117-Y119 VanDerWaalsContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CE1 4.07Å; F117-Y119 AromaticContact CD1-CG 3.99Å; F117-Y119 HydrophobicContact CD1-CG 3.99Å; F117-Y119 AromaticContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.37Å; F117-Y119 AromaticContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CG-CD1 4.24Å; F117-Y119 HydrophobicContact CZ-CD1 4.43Å; F117-Y119 HydrophobicContact CZ-CG 4.21Å; F117-A130 PolarHBondContact N-O 3.04Å; F117-A130 PolarHBondContact O-N 3.32Å; F117-L155 HydrophobicContact CB-CD1 3.54Å; F117-V165 HydrophobicContact CD1-CG1 3.82Å; F117-V165 HydrophobicContact CD1-CG2 4.33Å; F117-V165 HydrophobicContact CE1-CG1 4.4Å |
| 118 | V | 94.5 | Very high | 91.4 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.1 | 176.6 | -175 | 0 | 0 | 0 | 0 | 108.2 | W97 N98 L127 R128 Y129 | W97-V118 VanDerWaalsContact CA-O 3.32Å; W97-V118 WeakPolarHBondContact CA-O 3.47Å; N98-V118 HydrophobicContact CB-CB 4.41Å; N98-V118 PolarHBondContact N-O 2.95Å; N98-V118 PolarHBondContact O-N 3.48Å; V118-L127 HydrophobicContact CG1-CD1 4.48Å; V118-L127 HydrophobicContact CG1-CD2 3.31Å; V118-L127 HydrophobicContact CG1-CG 3.7Å; V118-R128 WeakPolarHBondContact CA-O 3.23Å; V118-Y129 HydrophobicContact CG2-CD2 3.69Å; V118-Y129 HydrophobicContact CG2-CE2 4.14Å |
| 119 | Y | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 161.3 | -173.2 | 69.3 | -80.5 | 0 | 0 | 0 | 111.7 | L49 F117 L121 R128 A130 H157 N161 V163 V165 | L49-Y119 HydrophobicContact CD2-CD1 4.44Å; L49-Y119 HydrophobicContact CD2-CD2 3.63Å; L49-Y119 HydrophobicContact CD2-CE1 4.19Å; L49-Y119 HydrophobicContact CD2-CE2 3.32Å; L49-Y119 HydrophobicContact CD2-CG 4.18Å; F117-Y119 AromaticContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CD1 3.42Å; F117-Y119 VanDerWaalsContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CE1 4.07Å; F117-Y119 AromaticContact CD1-CG 3.99Å; F117-Y119 HydrophobicContact CD1-CG 3.99Å; F117-Y119 AromaticContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.37Å; F117-Y119 AromaticContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CG-CD1 4.24Å; F117-Y119 HydrophobicContact CZ-CD1 4.43Å; F117-Y119 HydrophobicContact CZ-CG 4.21Å; Y119-L121 HydrophobicContact CD2-CD1 4.3Å; Y119-L121 HydrophobicContact CD2-CG 4Å; Y119-L121 HydrophobicContact CE2-CD1 3.8Å; Y119-L121 HydrophobicContact CE2-CG 4.01Å; Y119-R128 HydrophobicContact CD1-CB 4.12Å; Y119-R128 HydrophobicContact CD2-CB 4.34Å; Y119-R128 HydrophobicContact CE1-CB 3.7Å; Y119-R128 HydrophobicContact CE2-CB 3.94Å; Y119-R128 HydrophobicContact CE2-CG 4.46Å; Y119-R128 HydrophobicContact CG-CB 4.43Å; Y119-R128 PolarHBondContact N-O 3.41Å; Y119-R128 PolarHBondContact O-N 3.44Å; Y119-A130 HydrophobicContact CE1-CB 4.39Å; Y119-H157 PolarHBondContact OH-NE2 3.07Å; Y119-H157 VanDerWaalsContact OH-NE2 3.12Å; Y119-N161 PolarHBondContact OH-ND2 2.82Å; Y119-V163 HydrophobicContact CE2-CG1 4.49Å; Y119-V165 HydrophobicContact CE1-CG2 3.69Å |
| 120 | E | 90.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 39 Ų | 39 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.1 | 173.1 | -179.3 | 170.4 | -146.3 | 0 | 0 | 109.3 | S95 W97 G126 | S95-E120 WeakPolarHBondContact CB-OE2 3.26Å; S95-E120 PolarHBondContact OG-OE2 2.92Å; W97-E120 VanDerWaalsContact CE2-O 3.25Å; W97-E120 WeakPolarHBondContact CZ2-O 3.43Å; W97-E120 VanDerWaalsContact NE1-N 3.12Å; W97-E120 PolarHBondContact NE1-O 3.49Å; E120-G126 PolarHBondContact OE1-N 3.11Å |
| 121 | L | 88.3 | Confident | 91.5 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.4 | 179.4 | -68.3 | 166 | 0 | 0 | 0 | 109.3 | L49 Y51 V59 W97 Y119 D123 L124 V163 | L49-L121 HydrophobicContact CD1-CD2 4.44Å; Y51-L121 HydrophobicContact CE1-CD1 4.02Å; V59-L121 HydrophobicContact CG2-CD2 4.17Å; W97-L121 HydrophobicContact CH2-CD2 4.06Å; W97-L121 HydrophobicContact CZ2-CD2 4.04Å; Y119-L121 HydrophobicContact CD2-CD1 4.3Å; Y119-L121 HydrophobicContact CD2-CG 4Å; Y119-L121 HydrophobicContact CE2-CD1 3.8Å; Y119-L121 HydrophobicContact CE2-CG 4.01Å; L121-D123 VanDerWaalsContact C-N 3.26Å; L121-D123 PolarHBondContact O-N 3.5Å; L121-L124 HydrophobicContact CB-CB 4.31Å; L121-L124 CarbonylContact O-C 3.6Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-V163 HydrophobicContact CD1-CG1 4.19Å; L121-V163 HydrophobicContact CD1-CG2 3.78Å |
| 122 | L | 84.2 | Confident | 91.5 | Very high | 113 Ų | 113 | 38 Ų | 38 | 59% | 0.592 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -40.1 | 179 | -79.4 | 170.3 | 0 | 0 | 0 | 113.5 | Q92 L124 | Q92-L122 HydrophobicContact CB-CD1 3.73Å; Q92-L122 VanDerWaalsContact O-CD1 3.31Å; Q92-L122 WeakPolarHBondContact O-CD1 3.31Å; Q92-L122 VanDerWaalsContact O-CD2 3.32Å; Q92-L122 WeakPolarHBondContact O-CD2 3.02Å; Q92-L122 WeakPolarHBondContact O-CG 3.35Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.11Å |
| 123 | D | 82.7 | Confident | 91.1 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13.7 | -178 | -38.2 | -90.1 | 0 | 0 | 0 | 113 | Y51 K56 L121 | Y51-D123 PolarHBondContact OH-OD2 2.94Å; K56-D123 IonicContact NZ-OD1 2.76Å; K56-D123 PolarHBondContact NZ-OD1 3.24Å; K56-D123 IonicContact NZ-OD2 3.16Å; K56-D123 PolarHBondContact NZ-OD2 3.3Å; L121-D123 VanDerWaalsContact C-N 3.26Å; L121-D123 PolarHBondContact O-N 3.5Å |
| 124 | L | 83.4 | Confident | 90.6 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 78.7 | -178.5 | -80 | 115.1 | 0 | 0 | 0 | 109.2 | Y51 L121 L122 P162 V163 | Y51-L124 HydrophobicContact CD1-CD1 4Å; Y51-L124 HydrophobicContact CE1-CD1 3.54Å; L121-L124 HydrophobicContact CB-CB 4.31Å; L121-L124 CarbonylContact O-C 3.6Å; L121-L124 PolarHBondContact O-N 3.39Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.11Å; L124-P162 HydrophobicContact CD2-CG 3.36Å; L124-V163 HydrophobicContact CD1-CG2 4.29Å |
| 125 | P | 82.3 | Confident | 90.2 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 69% | 0.688 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 145.7 | -177.6 | 22.5 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 126 | G | 86.9 | Confident | 90 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | 140.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E120 R128 | E120-G126 PolarHBondContact OE1-N 3.11Å; G126-R128 PolarHBondContact O-N 3.27Å |
| 127 | L | 89.9 | Confident | 89.8 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 63% | 0.628 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 132.4 | 177 | -135.7 | 83.1 | 0 | 0 | 0 | 110.5 | V118 | V118-L127 HydrophobicContact CG1-CD1 4.48Å; V118-L127 HydrophobicContact CG1-CD2 3.31Å; V118-L127 HydrophobicContact CG1-CG 3.7Å |
| 128 | R | 91.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.2 | 176.4 | -66.7 | 173.8 | -174.6 | -73.3 | -22.5 | 109.1 | V118 Y119 G126 N161 | V118-R128 WeakPolarHBondContact CA-O 3.23Å; Y119-R128 HydrophobicContact CD1-CB 4.12Å; Y119-R128 HydrophobicContact CD2-CB 4.34Å; Y119-R128 HydrophobicContact CE1-CB 3.7Å; Y119-R128 HydrophobicContact CE2-CB 3.94Å; Y119-R128 HydrophobicContact CE2-CG 4.46Å; Y119-R128 HydrophobicContact CG-CB 4.43Å; Y119-R128 PolarHBondContact N-O 3.41Å; Y119-R128 PolarHBondContact O-N 3.44Å; G126-R128 PolarHBondContact O-N 3.27Å; R128-N161 VanDerWaalsContact NH1-CG 3.32Å; R128-N161 PolarHBondContact NH1-OD1 2.81Å |
| 129 | Y | 93.6 | Very high | 89.7 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.1 | 178.8 | -177.3 | -79.4 | 0 | 0 | 0 | 109 | S116 V118 S131 H157 F158 | S116-Y129 WeakPolarHBondContact CB-OH 3.4Å; V118-Y129 HydrophobicContact CG2-CD2 3.69Å; V118-Y129 HydrophobicContact CG2-CE2 4.14Å; Y129-S131 VanDerWaalsContact CE1-CB 3.45Å; Y129-S131 WeakPolarHBondContact CE1-OG 2.87Å; Y129-H157 PolarHBondContact O-CD2 3.02Å; Y129-F158 AromaticContact CD1-CD2 3.39Å; Y129-F158 HydrophobicContact CD1-CD2 3.39Å; Y129-F158 AromaticContact CD1-CE2 3.39Å; Y129-F158 HydrophobicContact CD1-CE2 3.39Å; Y129-F158 AromaticContact CE1-CD2 3.74Å; Y129-F158 HydrophobicContact CE1-CD2 3.74Å; Y129-F158 AromaticContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CZ 4.21Å; Y129-F158 HydrophobicContact CG-CD2 4.32Å; Y129-F158 HydrophobicContact CG-CE2 4.42Å |
| 130 | A | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | S116 F117 Y119 L155 N156 V165 | S116-A130 CarbonylContact C-O 3.57Å; S116-A130 WeakPolarHBondContact CA-O 3.47Å; F117-A130 PolarHBondContact N-O 3.04Å; F117-A130 PolarHBondContact O-N 3.32Å; Y119-A130 HydrophobicContact CE1-CB 4.39Å; A130-L155 HydrophobicContact CB-CB 3.62Å; A130-L155 HydrophobicContact CB-CD1 4.07Å; A130-N156 CarbonylContact C-O 3.53Å; A130-N156 WeakPolarHBondContact CA-O 3.37Å; A130-V165 HydrophobicContact CB-CB 4.27Å; A130-V165 HydrophobicContact CB-CG2 3.95Å |
| 131 | S | 95.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.9 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | I115 Y129 N156 | I115-S131 CarbonylContact O-C 3.59Å; I115-S131 WeakPolarHBondContact O-CA 3.37Å; Y129-S131 VanDerWaalsContact CE1-CB 3.45Å; Y129-S131 WeakPolarHBondContact CE1-OG 2.87Å; S131-N156 PolarHBondContact N-O 3.01Å; S131-N156 PolarHBondContact O-N 3.44Å |
| 132 | N | 94.4 | Very high | 90 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 127.2 | 167.5 | -168.2 | -43 | 0 | 0 | 0 | 108.9 | E114 I115 H134 L153 V154 L155 | E114-N132 WeakPolarHBondContact CA-O 3.44Å; I115-N132 HydrophobicContact CG2-CB 3.98Å; I115-N132 PolarHBondContact N-O 3.45Å; I115-N132 PolarHBondContact O-N 2.97Å; N132-H134 VanDerWaalsContact OD1-CB 3.29Å; N132-H134 WeakPolarHBondContact OD1-CB 3.42Å; N132-H134 PolarHBondContact OD1-CD2 3.23Å; N132-H134 VanDerWaalsContact OD1-CG 3.29Å; N132-H134 PolarHBondContact OD1-N 3.3Å; N132-L153 HydrophobicContact CB-CD1 4.35Å; N132-L153 VanDerWaalsContact ND2-CD1 3.33Å; N132-L153 WeakPolarHBondContact ND2-CD1 3.44Å; N132-V154 PolarHBondContact ND2-O 2.93Å; N132-L155 HydrophobicContact CB-CD2 3.6Å |
| 133 | N | 88.9 | Confident | 90.5 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | trans | -106.7 | 24.6 | -171.8 | -58.9 | 4.4 | 0 | 0 | 0 | 111.6 | S113 E114 | S113-N133 CarbonylContact O-C 3.54Å; S113-N133 WeakPolarHBondContact O-CA 3.38Å; E114-N133 PolarHBondContact OE1-OD1 2.94Å | ||
| 134 | H | 83.9 | Confident | 91.1 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 57% | 0.569 | 29% | 0.294 | S | S | * | . | trans | -78.6 | 137.9 | 176.1 | -77.5 | -146.1 | 0 | 0 | 0 | 110.2 | N132 L136 | N132-H134 VanDerWaalsContact OD1-CB 3.29Å; N132-H134 WeakPolarHBondContact OD1-CB 3.42Å; N132-H134 PolarHBondContact OD1-CD2 3.23Å; N132-H134 VanDerWaalsContact OD1-CG 3.29Å; N132-H134 PolarHBondContact OD1-N 3.3Å; H134-L136 HydrophobicContact CB-CD2 4.48Å; H134-L136 HydrophobicContact CB-CG 4.24Å; H134-L136 PolarHBondContact O-N 3.48Å | ||
| 135 | S | 87.5 | Confident | 91.7 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | trans | -67 | 102.2 | 170 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | L112 | L112-S135 WeakPolarHBondContact O-CA 3.32Š| ||
| 136 | L | 90.5 | Very high | 92.3 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 170.6 | 178.6 | -63.6 | 172.9 | 0 | 0 | 0 | 110.6 | L112 H134 S138 L153 | L112-L136 HydrophobicContact CB-CB 4.23Å; L112-L136 HydrophobicContact CD2-CB 4.32Å; L112-L136 PolarHBondContact N-O 3.42Å; L112-L136 PolarHBondContact O-N 3.01Å; H134-L136 HydrophobicContact CB-CD2 4.48Å; H134-L136 HydrophobicContact CB-CG 4.24Å; H134-L136 PolarHBondContact O-N 3.48Å; L136-S138 PolarHBondContact O-N 3.43Å; L136-L153 HydrophobicContact CD1-CD1 3.76Å; L136-L153 HydrophobicContact CD1-CD2 3.54Å; L136-L153 HydrophobicContact CD1-CG 4.28Å |
| 137 | F | 92.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 42.4 | 171 | -45.4 | -27.7 | 0 | 0 | 0 | 114.1 | L112 Y145 F169 L172 V174 | L112-F137 HydrophobicContact CB-CB 4.36Å; L112-F137 HydrophobicContact CB-CD2 3.96Å; L112-F137 HydrophobicContact CB-CG 4.45Å; L112-F137 HydrophobicContact CD2-CD2 3.56Å; L112-F137 HydrophobicContact CD2-CE2 3.47Å; L112-F137 VanDerWaalsContact CD2-CE2 3.47Å; L112-F137 HydrophobicContact CD2-CZ 4.42Å; L112-F137 HydrophobicContact CG-CD2 4.35Å; F137-Y145 HydrophobicContact CB-CD1 3.76Å; F137-Y145 HydrophobicContact CB-CD2 4.43Å; F137-Y145 HydrophobicContact CB-CE1 4.01Å; F137-Y145 HydrophobicContact CB-CG 3.96Å; F137-Y145 AromaticContact CD1-CD1 3.95Å; F137-Y145 HydrophobicContact CD1-CD1 3.95Å; F137-Y145 AromaticContact CD1-CE1 3.34Å; F137-Y145 HydrophobicContact CD1-CE1 3.34Å; F137-Y145 AromaticContact CD1-CZ 3.71Å; F137-Y145 HydrophobicContact CE1-CE1 4.15Å; F137-Y145 HydrophobicContact CG-CD1 4.05Å; F137-Y145 AromaticContact CG-CE1 3.93Å; F137-Y145 HydrophobicContact CG-CE1 3.93Å; F137-F169 HydrophobicContact CZ-CD2 4.27Å; F137-F169 HydrophobicContact CZ-CE2 4.36Å; F137-F169 HydrophobicContact CZ-CG 4.46Å; F137-L172 HydrophobicContact CD1-CD2 3.89Å; F137-L172 HydrophobicContact CD2-CD2 3.97Å; F137-L172 HydrophobicContact CE1-CD2 3.46Å; F137-L172 VanDerWaalsContact CE1-CD2 3.46Å; F137-L172 HydrophobicContact CE2-CD2 3.51Å; F137-L172 HydrophobicContact CG-CD2 4.16Å; F137-L172 HydrophobicContact CZ-CD2 3.24Å; F137-V174 HydrophobicContact CB-CG1 3.77Å; F137-V174 HydrophobicContact CD2-CG1 4.26Å; F137-V174 HydrophobicContact CG-CG1 4.24Å |
| 138 | S | 93.7 | Very high | 92.7 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.8 | -175.3 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | Y110 N111 L136 | Y110-S138 WeakPolarHBondContact O-CA 3.37Å; N111-S138 VanDerWaalsContact CB-OG 3.26Å; N111-S138 WeakPolarHBondContact CB-OG 3.03Å; L136-S138 PolarHBondContact O-N 3.43Å |
| 139 | A | 94.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S109 Y110 V190 | S109-A139 CarbonylContact C-O 3.55Å; S109-A139 VanDerWaalsContact CA-O 3.26Å; S109-A139 WeakPolarHBondContact CA-O 3.12Å; S109-A139 VanDerWaalsContact CB-O 3.31Å; S109-A139 WeakPolarHBondContact CB-O 3.32Å; Y110-A139 WeakPolarHBondContact CD1-O 3.04Å; Y110-A139 HydrophobicContact CE1-CB 3.89Å; Y110-A139 HydrophobicContact CE2-CB 4.3Å; Y110-A139 PolarHBondContact N-O 3.07Å; Y110-A139 PolarHBondContact O-N 3.33Å; A139-V190 HydrophobicContact CB-CB 4.21Å; A139-V190 HydrophobicContact CB-CG2 4.01Å |
| 140 | A | 94.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 151.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N108 Y110 G142 S143 | N108-A140 WeakPolarHBondContact O-CA 3.37Å; Y110-A140 WeakPolarHBondContact CE1-O 3.39Å; A140-G142 PolarHBondContact O-N 3.35Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.06Å |
| 141 | I | 92.5 | Very high | 92.4 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 29% | 0.292 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.6 | 174.3 | -63.7 | 168 | 0 | 0 | 0 | 109.3 | K105 N108 S143 | K105-I141 HydrophobicContact CD-CD1 4.06Å; K105-I141 VanDerWaalsContact CE-CD1 3.48Å; K105-I141 HydrophobicContact CG-CD1 4.01Å; N108-I141 PolarHBondContact O-N 3.09Å; I141-S143 PolarHBondContact O-N 3.05Å |
| 142 | G | 91.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 46% | 0.464 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 4.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A140 G187 | A140-G142 PolarHBondContact O-N 3.35Å; G142-G187 WeakPolarHBondContact O-CA 3.39Å |
| 143 | S | 94.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -107.8 | 175 | 167.9 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | Y110 A140 I141 Q175 I188 | Y110-S143 PolarHBondContact OH-O 3.46Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.06Å; I141-S143 PolarHBondContact O-N 3.05Å; S143-Q175 PolarHBondContact O-NE2 2.99Å; S143-Q175 VanDerWaalsContact O-NE2 3.08Å; S143-I188 VanDerWaalsContact CA-O 3.31Å; S143-I188 WeakPolarHBondContact CA-O 3.48Å; S143-I188 WeakPolarHBondContact CB-O 3.34Å | ||
| 144 | Y | 95.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.3 | 171.6 | 67.2 | -86.5 | 0 | 0 | 0 | 110.7 | F185 I188 M189 V190 | Y144-F185 HydrophobicContact CD1-CB 3.94Å; Y144-F185 HydrophobicContact CD2-CB 4.19Å; Y144-F185 HydrophobicContact CD2-CD1 4.17Å; Y144-F185 HydrophobicContact CD2-CG 4.3Å; Y144-F185 HydrophobicContact CE1-CB 4.14Å; Y144-F185 HydrophobicContact CE2-CB 4.38Å; Y144-F185 HydrophobicContact CG-CB 3.96Å; Y144-F185 HydrophobicContact CG-CD1 4.08Å; Y144-F185 HydrophobicContact CG-CG 4.33Å; Y144-I188 PolarHBondContact N-O 3.44Å; Y144-M189 HydrophobicContact CD2-CG 4.37Å; Y144-M189 HydrophobicContact CE1-CB 4.01Å; Y144-M189 HydrophobicContact CE2-CB 3.87Å; Y144-M189 HydrophobicContact CE2-CG 3.58Å; Y144-M189 HydrophobicContact CE2-SD 4.25Å; Y144-M189 WeakPolarHBondContact OH-CB 3.1Å; Y144-V190 PolarHBondContact O-N 2.94Å |
| 145 | Y | 95.8 | Very high | 93 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 7% | 0.071 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 138.1 | 173.7 | 176.1 | -91.3 | 0 | 0 | 0 | 109.5 | F137 C147 Q151 L172 K173 V174 V190 C192 | F137-Y145 HydrophobicContact CB-CD1 3.76Å; F137-Y145 HydrophobicContact CB-CD2 4.43Å; F137-Y145 HydrophobicContact CB-CE1 4.01Å; F137-Y145 HydrophobicContact CB-CG 3.96Å; F137-Y145 AromaticContact CD1-CD1 3.95Å; F137-Y145 HydrophobicContact CD1-CD1 3.95Å; F137-Y145 AromaticContact CD1-CE1 3.34Å; F137-Y145 HydrophobicContact CD1-CE1 3.34Å; F137-Y145 AromaticContact CD1-CZ 3.71Å; F137-Y145 HydrophobicContact CE1-CE1 4.15Å; F137-Y145 HydrophobicContact CG-CD1 4.05Å; F137-Y145 AromaticContact CG-CE1 3.93Å; F137-Y145 HydrophobicContact CG-CE1 3.93Å; Y145-C147 HydrophobicContact CE1-CB 3.77Å; Y145-Q151 PolarHBondContact OH-NE2 2.76Å; Y145-Q151 VanDerWaalsContact OH-NE2 3.07Å; Y145-Q151 PolarHBondContact OH-OE1 2.86Å; Y145-L172 HydrophobicContact CE1-CD2 4.41Å; Y145-K173 CarbonylContact O-C 3.55Å; Y145-K173 VanDerWaalsContact O-CA 3.23Å; Y145-K173 WeakPolarHBondContact O-CA 3.46Å; Y145-V174 HydrophobicContact CD1-CG1 4.01Å; Y145-V174 HydrophobicContact CG-CG1 4.36Å; Y145-V174 PolarHBondContact N-O 3.31Å; Y145-V174 PolarHBondContact O-N 2.96Å; Y145-V190 CarbonylContact C-O 3.6Å; Y145-V190 WeakPolarHBondContact CA-O 3.25Å; Y145-C192 HydrophobicContact CE2-CB 4.03Å; Y145-C192 WeakPolarHBondContact OH-CB 3.47Å |
| 146 | S | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | L172 V190 Q191 C192 | S146-L172 CarbonylContact C-O 3.57Å; S146-L172 WeakPolarHBondContact CA-O 3.37Å; S146-V190 PolarHBondContact N-O 2.04Å; S146-Q191 WeakPolarHBondContact O-CA 3.33Å; S146-C192 PolarHBondContact O-N 2.8Å; S146-C192 VanDerWaalsContact O-N 3.1Å |
| 147 | C | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 117.1 | 174.2 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | Y145 Q151 Q171 L172 C192 | Y145-C147 HydrophobicContact CE1-CB 3.77Å; C147-Q151 PolarHBondContact SG-NE2 2.94Å; C147-Q171 CarbonylContact O-C 3.34Å; C147-Q171 WeakPolarHBondContact O-CA 3.38Å; C147-Q171 PolarHBondContact O-N 3.38Å; C147-L172 PolarHBondContact N-O 2.91Å; C147-L172 PolarHBondContact O-N 3.34Å; C147-C192 WeakPolarHBondContact CA-SG 3.34Å; C147-C192 HydrophobicContact CB-CB 3.52Å; C147-C192 WeakPolarHBondContact CB-SG 3.35Å; C147-C192 WeakPolarHBondContact SG-CB 3.15Å; C147-C192 CovalentContact SG-SG 2.04Å; C147-C192 PolarHBondContact SG-SG 3.43Å |
| 148 | Q | 92.5 | Very high | 92.3 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | trans | -85.3 | -35.9 | 179.9 | -60 | -64.8 | 7 | 0 | 0 | 112.2 | Q171 D195 | Q148-Q171 PolarHBondContact O-N 2.91Å; Q148-D195 WeakPolarHBondContact CA-OD1 3.32Å; Q148-D195 VanDerWaalsContact N-CG 3.32Å; Q148-D195 PolarHBondContact N-OD1 3.06Å; Q148-D195 PolarHBondContact N-OD2 2.79Å | ||
| 149 | A | 90.6 | Very high | 91.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -61.9 | 152 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q151 L194 D195 | A149-Q151 PolarHBondContact O-N 2.96Å; A149-L194 HydrophobicContact CB-CB 3.66Å; A149-D195 VanDerWaalsContact CB-OD1 3.31Å; A149-D195 WeakPolarHBondContact CB-OD1 3.44Å; A149-D195 PolarHBondContact N-OD1 3.02Å |
| 150 | E | 92 | Very high | 90.6 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | trans | -68.2 | 127.9 | 174.4 | -169.2 | -176.3 | 112.4 | 0 | 0 | 110.5 | N152 T168 F169 | E150-N152 PolarHBondContact OE1-ND2 2.83Å; E150-T168 VanDerWaalsContact CD-CG2 3.44Å; E150-T168 HydrophobicContact CG-CG2 3.32Å; E150-F169 CarbonylContact C-O 3.51Å; E150-F169 WeakPolarHBondContact CA-O 3.3Å | ||
| 151 | Q | 91.7 | Very high | 89.9 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.2 | 176.8 | -50.4 | -167 | -66.7 | 0 | 0 | 109.5 | Y145 C147 A149 T168 F169 | Y145-Q151 PolarHBondContact OH-NE2 2.76Å; Y145-Q151 VanDerWaalsContact OH-NE2 3.07Å; Y145-Q151 PolarHBondContact OH-OE1 2.86Å; C147-Q151 PolarHBondContact SG-NE2 2.94Å; A149-Q151 PolarHBondContact O-N 2.96Å; Q151-T168 CarbonylContact O-C 3.5Å; Q151-T168 WeakPolarHBondContact O-CA 3.39Å; Q151-F169 HydrophobicContact CB-CB 4.39Å; Q151-F169 PolarHBondContact N-O 2.87Å; Q151-F169 PolarHBondContact O-N 3.28Å |
| 152 | N | 93 | Very high | 89.6 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.8 | 178.1 | -74.7 | -67.4 | 0 | 0 | 0 | 110.3 | E150 L167 T168 | E150-N152 PolarHBondContact OE1-ND2 2.83Å; N152-L167 CarbonylContact C-O 3.53Å; N152-L167 WeakPolarHBondContact CA-O 3.46Å; N152-T168 WeakPolarHBondContact OD1-CB 3.33Å; N152-T168 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T168 PolarHBondContact OD1-OG1 2.93Å |
| 153 | L | 94.1 | Very high | 89.5 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 111 | -176.8 | -177 | 65.4 | 0 | 0 | 0 | 110.4 | I115 N132 L136 L155 N166 L167 F169 | I115-L153 HydrophobicContact CG2-CD2 3.58Å; N132-L153 HydrophobicContact CB-CD1 4.35Å; N132-L153 VanDerWaalsContact ND2-CD1 3.33Å; N132-L153 WeakPolarHBondContact ND2-CD1 3.44Å; L136-L153 HydrophobicContact CD1-CD1 3.76Å; L136-L153 HydrophobicContact CD1-CD2 3.54Å; L136-L153 HydrophobicContact CD1-CG 4.28Å; L153-L155 HydrophobicContact CD2-CD2 4.36Å; L153-L155 HydrophobicContact CG-CD2 4.39Å; L153-N166 PolarHBondContact N-OD1 2.74Å; L153-N166 PolarHBondContact O-OD1 3.09Å; L153-L167 HydrophobicContact CB-CB 4.32Å; L153-L167 PolarHBondContact N-O 3.15Å; L153-L167 PolarHBondContact O-N 3.14Å; L153-F169 HydrophobicContact CB-CE2 4.16Å; L153-F169 HydrophobicContact CD2-CE2 4.18Å |
| 154 | V | 93.9 | Very high | 89.4 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.3 | 174 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | N132 T164 | N132-V154 PolarHBondContact ND2-O 2.93Å; V154-T164 HydrophobicContact CG1-CG2 3.97Å |
| 155 | L | 94.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.7 | 172.2 | -53.7 | -173.6 | 0 | 0 | 0 | 110.2 | I115 F117 A130 N132 L153 V165 L167 | I115-L155 HydrophobicContact CG2-CD2 3.66Å; F117-L155 HydrophobicContact CB-CD1 3.54Å; A130-L155 HydrophobicContact CB-CB 3.62Å; A130-L155 HydrophobicContact CB-CD1 4.07Å; N132-L155 HydrophobicContact CB-CD2 3.6Å; L153-L155 HydrophobicContact CD2-CD2 4.36Å; L153-L155 HydrophobicContact CG-CD2 4.39Å; L155-V165 HydrophobicContact CB-CB 4.13Å; L155-V165 HydrophobicContact CB-CG1 4.29Å; L155-V165 HydrophobicContact CD1-CB 4.48Å; L155-V165 HydrophobicContact CD1-CG1 3.81Å; L155-V165 HydrophobicContact CG-CB 4.48Å; L155-V165 HydrophobicContact CG-CG1 4.1Å; L155-V165 PolarHBondContact N-O 2.74Å; L155-L167 HydrophobicContact CD1-CD1 3.92Å; L155-L167 HydrophobicContact CD1-CG 4.35Å; L155-L167 HydrophobicContact CD2-CD1 3.93Å; L155-L167 HydrophobicContact CG-CD1 4.05Å; L155-L167 HydrophobicContact CG-CG 4.35Å |
| 156 | N | 91.4 | Very high | 89.4 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.8 | 178.3 | -63.8 | -37.4 | 0 | 0 | 0 | 110.4 | A130 S131 | A130-N156 CarbonylContact C-O 3.53Å; A130-N156 WeakPolarHBondContact CA-O 3.37Å; S131-N156 PolarHBondContact N-O 3.01Å; S131-N156 PolarHBondContact O-N 3.44Å |
| 157 | H | 87.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 52 Ų | 52 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 144.1 | 174.4 | -56.9 | 90.2 | 0 | 0 | 0 | 110.8 | Y119 Y129 A159 N161 V163 | Y119-H157 PolarHBondContact OH-NE2 3.07Å; Y119-H157 VanDerWaalsContact OH-NE2 3.12Å; Y129-H157 PolarHBondContact O-CD2 3.02Å; H157-A159 VanDerWaalsContact CB-O 3.28Å; H157-A159 WeakPolarHBondContact CB-O 3.31Å; H157-A159 PolarHBondContact O-N 3.31Å; H157-N161 HydrophobicContact CB-CB 3.88Å; H157-N161 PolarHBondContact CD2-ND2 2.84Å; H157-N161 PolarHBondContact NE2-ND2 2.83Å; H157-V163 PolarHBondContact CE1-O 3.34Å; H157-V163 PolarHBondContact ND1-O 3.49Å; H157-V163 PolarHBondContact NE2-O 3.43Å |
| 158 | F | 75.9 | Confident | 89.5 | Confident | 166 Ų | 166 | 52.9 Ų | 52.9 | 73% | 0.728 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -66.1 | -25 | 174.2 | -80.3 | -67.4 | 0 | 0 | 0 | 113.7 | Y129 | Y129-F158 AromaticContact CD1-CD2 3.39Å; Y129-F158 HydrophobicContact CD1-CD2 3.39Å; Y129-F158 AromaticContact CD1-CE2 3.39Å; Y129-F158 HydrophobicContact CD1-CE2 3.39Å; Y129-F158 AromaticContact CE1-CD2 3.74Å; Y129-F158 HydrophobicContact CE1-CD2 3.74Å; Y129-F158 AromaticContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CZ 4.21Å; Y129-F158 HydrophobicContact CG-CD2 4.32Å; Y129-F158 HydrophobicContact CG-CE2 4.42Å |
| 159 | A | 75.8 | Confident | 89.7 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -129.3 | 157.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | H157 N161 | H157-A159 VanDerWaalsContact CB-O 3.28Å; H157-A159 WeakPolarHBondContact CB-O 3.31Å; H157-A159 PolarHBondContact O-N 3.31Å; A159-N161 PolarHBondContact O-N 3.23Å |
| 160 | P | 76.5 | Confident | 89.8 | Confident | 137 Ų | 137 | 49.6 Ų | 49.6 | 89% | 0.89 | 28% | 0.277 | S | S | * | . | trans | -53 | 112.9 | 174.9 | -22.9 | 32 | 0 | 0 | 0 | 110.4 | ||||
| 161 | N | 80.6 | Confident | 89.9 | Confident | 29 Ų | 29 | 48 Ų | 48 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | trans | -117 | 130 | -176.6 | -163.4 | -20.6 | 0 | 0 | 0 | 108.8 | Y119 R128 H157 A159 V163 | Y119-N161 PolarHBondContact OH-ND2 2.82Å; R128-N161 VanDerWaalsContact NH1-CG 3.32Å; R128-N161 PolarHBondContact NH1-OD1 2.81Å; H157-N161 HydrophobicContact CB-CB 3.88Å; H157-N161 PolarHBondContact CD2-ND2 2.84Å; H157-N161 PolarHBondContact NE2-ND2 2.83Å; A159-N161 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact OD1-N 3.27Å | ||
| 162 | P | 85.1 | Confident | 90.1 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -73.3 | 16.2 | 174.3 | 32.5 | -38.4 | 0 | 0 | 0 | 113.3 | Y51 T52 K53 L124 | Y51-P162 CarbonylContact C-O 3.59Å; Y51-P162 WeakPolarHBondContact CA-O 3.49Å; T52-P162 PolarHBondContact N-O 3.25Å; T52-P162 VanDerWaalsContact OG1-C 3.23Å; T52-P162 WeakPolarHBondContact OG1-CA 3.26Å; T52-P162 PolarHBondContact OG1-O 3.17Å; T52-P162 VanDerWaalsContact OG1-O 3.12Å; K53-P162 HydrophobicContact CB-CB 4.3Å; K53-P162 HydrophobicContact CD-CB 4.13Å; K53-P162 HydrophobicContact CG-CB 4.1Å; L124-P162 HydrophobicContact CD2-CG 3.36Å |
| 163 | V | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.7 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L49 A50 Y51 Y119 L121 L124 H157 N161 | L49-V163 HydrophobicContact CB-CG1 4.12Å; L49-V163 HydrophobicContact CD2-CG1 3.81Å; A50-V163 CarbonylContact O-C 3.52Å; A50-V163 VanDerWaalsContact O-CA 3.29Å; A50-V163 WeakPolarHBondContact O-CA 3.31Å; Y51-V163 HydrophobicContact CD1-CG2 3.89Å; Y51-V163 HydrophobicContact CE1-CG2 4.07Å; Y119-V163 HydrophobicContact CE2-CG1 4.49Å; L121-V163 HydrophobicContact CD1-CG1 4.19Å; L121-V163 HydrophobicContact CD1-CG2 3.78Å; L124-V163 HydrophobicContact CD1-CG2 4.29Å; H157-V163 PolarHBondContact CE1-O 3.34Å; H157-V163 PolarHBondContact ND1-O 3.49Å; H157-V163 PolarHBondContact NE2-O 3.43Å; N161-V163 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact OD1-N 3.27Å |
| 164 | T | 92.5 | Very high | 90.3 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.2 | 170.7 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | L49 A50 T52 V154 | L49-T164 WeakPolarHBondContact CA-O 3.35Å; A50-T164 PolarHBondContact N-O 2.81Å; A50-T164 PolarHBondContact O-N 3.33Å; T52-T164 VanDerWaalsContact CG2-OG1 3.26Å; T52-T164 WeakPolarHBondContact CG2-OG1 3.18Å; V154-T164 HydrophobicContact CG1-CG2 3.97Å |
| 165 | V | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.1 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | I47 L49 F117 Y119 A130 L155 | I47-V165 HydrophobicContact CG2-CG1 4.26Å; L49-V165 HydrophobicContact CD2-CG2 3.73Å; F117-V165 HydrophobicContact CD1-CG1 3.82Å; F117-V165 HydrophobicContact CD1-CG2 4.33Å; F117-V165 HydrophobicContact CE1-CG1 4.4Å; Y119-V165 HydrophobicContact CE1-CG2 3.69Å; A130-V165 HydrophobicContact CB-CB 4.27Å; A130-V165 HydrophobicContact CB-CG2 3.95Å; L155-V165 HydrophobicContact CB-CB 4.13Å; L155-V165 HydrophobicContact CB-CG1 4.29Å; L155-V165 HydrophobicContact CD1-CB 4.48Å; L155-V165 HydrophobicContact CD1-CG1 3.81Å; L155-V165 HydrophobicContact CG-CB 4.48Å; L155-V165 HydrophobicContact CG-CG1 4.1Å; L155-V165 PolarHBondContact N-O 2.74Å |
| 166 | N | 95.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.4 | 173 | -171.4 | 28 | 0 | 0 | 0 | 109.8 | T48 L153 | T48-N166 PolarHBondContact N-O 2.76Å; T48-N166 PolarHBondContact O-N 3.02Å; L153-N166 PolarHBondContact N-OD1 2.74Å; L153-N166 PolarHBondContact O-OD1 3.09Å |
| 167 | L | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.6 | 172.8 | -66 | 175 | 0 | 0 | 0 | 108.8 | N46 I47 L99 I115 N152 L153 L155 F169 | N46-L167 CarbonylContact O-C 3.5Å; N46-L167 WeakPolarHBondContact O-CA 3.27Å; I47-L167 HydrophobicContact CB-CD2 3.93Å; I47-L167 HydrophobicContact CD1-CD2 4.1Å; I47-L167 HydrophobicContact CG1-CD2 3.53Å; I47-L167 HydrophobicContact CG2-CD2 3.74Å; L99-L167 HydrophobicContact CD1-CD1 4.13Å; L99-L167 HydrophobicContact CD1-CD2 4.44Å; I115-L167 HydrophobicContact CD1-CD1 3.42Å; I115-L167 VanDerWaalsContact CD1-CD1 3.42Å; I115-L167 HydrophobicContact CG1-CD1 4.01Å; N152-L167 CarbonylContact C-O 3.53Å; N152-L167 WeakPolarHBondContact CA-O 3.46Å; L153-L167 HydrophobicContact CB-CB 4.32Å; L153-L167 PolarHBondContact N-O 3.15Å; L153-L167 PolarHBondContact O-N 3.14Å; L155-L167 HydrophobicContact CD1-CD1 3.92Å; L155-L167 HydrophobicContact CD1-CG 4.35Å; L155-L167 HydrophobicContact CD2-CD1 3.93Å; L155-L167 HydrophobicContact CG-CD1 4.05Å; L155-L167 HydrophobicContact CG-CG 4.35Å; L167-F169 HydrophobicContact CB-CE2 3.68Å; L167-F169 HydrophobicContact CB-CZ 3.88Å; L167-F169 HydrophobicContact CD1-CE2 4.38Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CG-CZ 4.5Å |
| 168 | T | 95.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.104 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.6 | 176 | -52.4 | 0 | 0 | 0 | 0 | 108.5 | I45 N46 E150 Q151 N152 | I45-T168 CarbonylContact C-O 3.55Å; I45-T168 WeakPolarHBondContact CA-O 3.46Å; N46-T168 PolarHBondContact N-O 3.21Å; N46-T168 PolarHBondContact O-N 2.87Å; E150-T168 VanDerWaalsContact CD-CG2 3.44Å; E150-T168 HydrophobicContact CG-CG2 3.32Å; Q151-T168 CarbonylContact O-C 3.5Å; Q151-T168 WeakPolarHBondContact O-CA 3.39Å; N152-T168 WeakPolarHBondContact OD1-CB 3.33Å; N152-T168 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T168 PolarHBondContact OD1-OG1 2.93Å |
| 169 | F | 95.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.3 | 177.7 | -55.8 | -85.5 | 0 | 0 | 0 | 109.6 | Y44 I45 F101 I115 F137 E150 Q151 L153 L167 L172 | Y44-F169 WeakPolarHBondContact O-CA 3.48Å; I45-F169 HydrophobicContact CB-CD1 4.38Å; I45-F169 HydrophobicContact CB-CE1 4.46Å; I45-F169 HydrophobicContact CD1-CD1 4.5Å; I45-F169 HydrophobicContact CD1-CE1 4.3Å; I45-F169 HydrophobicContact CG1-CD1 3.98Å; I45-F169 HydrophobicContact CG1-CE1 4.17Å; I45-F169 HydrophobicContact CG2-CD1 3.94Å; I45-F169 HydrophobicContact CG2-CE1 3.64Å; I45-F169 HydrophobicContact CG2-CZ 4.42Å; F101-F169 AromaticContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CZ 4.11Å; F101-F169 HydrophobicContact CZ-CE1 4.11Å; I115-F169 HydrophobicContact CD1-CZ 3.8Å; F137-F169 HydrophobicContact CZ-CD2 4.27Å; F137-F169 HydrophobicContact CZ-CE2 4.36Å; F137-F169 HydrophobicContact CZ-CG 4.46Å; E150-F169 CarbonylContact C-O 3.51Å; E150-F169 WeakPolarHBondContact CA-O 3.3Å; Q151-F169 HydrophobicContact CB-CB 4.39Å; Q151-F169 PolarHBondContact N-O 2.87Å; Q151-F169 PolarHBondContact O-N 3.28Å; L153-F169 HydrophobicContact CB-CE2 4.16Å; L153-F169 HydrophobicContact CD2-CE2 4.18Å; L167-F169 HydrophobicContact CB-CE2 3.68Å; L167-F169 HydrophobicContact CB-CZ 3.88Å; L167-F169 HydrophobicContact CD1-CE2 4.38Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CG-CZ 4.5Å; F169-L172 HydrophobicContact CB-CB 4.44Å; F169-L172 HydrophobicContact CB-CD2 4.29Å; F169-L172 HydrophobicContact CD1-CD1 4.27Å; F169-L172 HydrophobicContact CD1-CD2 4.42Å; F169-L172 HydrophobicContact CG-CD2 4.42Å |
| 170 | S | 93.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.7 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | Y44 L172 | Y44-S170 PolarHBondContact N-O 2.94Å; Y44-S170 PolarHBondContact O-N 3.43Å; S170-L172 PolarHBondContact O-N 3.12Å |
| 171 | Q | 93.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 30.8 Ų | 30.8 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 41 | -176.5 | -53.3 | -178.3 | 48.3 | 0 | 0 | 113 | G43 Y44 C147 Q148 | G43-Q171 WeakPolarHBondContact CA-O 3.44Å; Y44-Q171 HydrophobicContact CD2-CB 4.04Å; Y44-Q171 HydrophobicContact CD2-CG 4.28Å; Y44-Q171 HydrophobicContact CE2-CB 4.1Å; Y44-Q171 HydrophobicContact CE2-CG 4.16Å; C147-Q171 CarbonylContact O-C 3.34Å; C147-Q171 WeakPolarHBondContact O-CA 3.38Å; C147-Q171 PolarHBondContact O-N 3.38Å; Q148-Q171 PolarHBondContact O-N 2.91Å |
| 172 | L | 95.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.3 | -174.5 | -176.1 | 72.5 | 0 | 0 | 0 | 110.5 | L41 Q42 F137 Y145 S146 C147 F169 S170 | L41-L172 HydrophobicContact CD2-CD1 4.41Å; L41-L172 HydrophobicContact CG-CD1 4.37Å; Q42-L172 CarbonylContact O-C 3.56Å; Q42-L172 WeakPolarHBondContact O-CA 3.48Å; F137-L172 HydrophobicContact CD1-CD2 3.89Å; F137-L172 HydrophobicContact CD2-CD2 3.97Å; F137-L172 HydrophobicContact CE1-CD2 3.46Å; F137-L172 VanDerWaalsContact CE1-CD2 3.46Å; F137-L172 HydrophobicContact CE2-CD2 3.51Å; F137-L172 HydrophobicContact CG-CD2 4.16Å; F137-L172 HydrophobicContact CZ-CD2 3.24Å; Y145-L172 HydrophobicContact CE1-CD2 4.41Å; S146-L172 CarbonylContact C-O 3.57Å; S146-L172 WeakPolarHBondContact CA-O 3.37Å; C147-L172 PolarHBondContact N-O 2.91Å; C147-L172 PolarHBondContact O-N 3.34Å; F169-L172 HydrophobicContact CB-CB 4.44Å; F169-L172 HydrophobicContact CB-CD2 4.29Å; F169-L172 HydrophobicContact CD1-CD1 4.27Å; F169-L172 HydrophobicContact CD1-CD2 4.42Å; F169-L172 HydrophobicContact CG-CD2 4.42Å; S170-L172 PolarHBondContact O-N 3.12Å |
| 173 | K | 95.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 24% | 0.239 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.7 | 166.7 | -62.6 | 179.4 | -174.8 | 172.4 | 0 | 109.4 | Q42 Y145 F185 | Q42-K173 HydrophobicContact CB-CB 4.4Å; Q42-K173 PolarHBondContact N-O 2.93Å; Q42-K173 PolarHBondContact O-N 2.77Å; Q42-K173 VanDerWaalsContact O-O 3.13Å; Y145-K173 CarbonylContact O-C 3.55Å; Y145-K173 VanDerWaalsContact O-CA 3.23Å; Y145-K173 WeakPolarHBondContact O-CA 3.46Å; K173-F185 HydrophobicContact CB-CD1 4.38Å; K173-F185 HydrophobicContact CB-CD2 4.34Å; K173-F185 HydrophobicContact CB-CE1 3.75Å; K173-F185 HydrophobicContact CB-CE2 3.71Å; K173-F185 HydrophobicContact CB-CZ 3.38Å; K173-F185 HydrophobicContact CD-CD2 4.04Å; K173-F185 HydrophobicContact CD-CE2 3.91Å; K173-F185 HydrophobicContact CD-CZ 4.44Å; K173-F185 HydrophobicContact CG-CE2 4.49Å |
| 174 | V | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135.6 | 178.8 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | L40 L41 F103 Y110 F137 Y145 | L40-V174 WeakPolarHBondContact O-CA 3.38Å; L41-V174 HydrophobicContact CB-CG2 4.41Å; L41-V174 HydrophobicContact CD1-CG2 4.37Å; L41-V174 HydrophobicContact CG-CG2 4.5Å; F103-V174 HydrophobicContact CE1-CG1 4.46Å; F103-V174 HydrophobicContact CE1-CG2 3.75Å; F103-V174 HydrophobicContact CE2-CG2 4.39Å; F103-V174 HydrophobicContact CZ-CG2 3.49Å; F103-V174 VanDerWaalsContact CZ-CG2 3.49Å; Y110-V174 PolarHBondContact OH-O 2.75Å; Y110-V174 VanDerWaalsContact OH-O 3.05Å; F137-V174 HydrophobicContact CB-CG1 3.77Å; F137-V174 HydrophobicContact CD2-CG1 4.26Å; F137-V174 HydrophobicContact CG-CG1 4.24Å; Y145-V174 HydrophobicContact CD1-CG1 4.01Å; Y145-V174 HydrophobicContact CG-CG1 4.36Å; Y145-V174 PolarHBondContact N-O 3.31Å; Y145-V174 PolarHBondContact O-N 2.96Å |
| 175 | Q | 95.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.7 | 175.4 | -173.5 | 160.9 | 38.9 | 0 | 0 | 108.9 | I39 L40 Y110 S143 R178 F185 N186 | I39-Q175 CarbonylContact C-O 3.5Å; I39-Q175 WeakPolarHBondContact CA-O 3.34Å; L40-Q175 PolarHBondContact N-O 2.76Å; L40-Q175 PolarHBondContact O-N 2.83Å; Y110-Q175 WeakPolarHBondContact OH-CA 3.23Å; S143-Q175 PolarHBondContact O-NE2 2.99Å; S143-Q175 VanDerWaalsContact O-NE2 3.08Å; Q175-R178 HydrophobicContact CG-CB 4.2Å; Q175-F185 HydrophobicContact CB-CD1 3.85Å; Q175-F185 HydrophobicContact CB-CE1 4.09Å; Q175-N186 PolarHBondContact NE2-O 2.8Å |
| 176 | A | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 166.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F103 Y110 R178 | F103-A176 HydrophobicContact CB-CB 3.93Å; F103-A176 HydrophobicContact CD1-CB 4.06Å; F103-A176 HydrophobicContact CD2-CB 4.13Å; F103-A176 HydrophobicContact CG-CB 3.75Å; Y110-A176 HydrophobicContact CD2-CB 3.89Å; Y110-A176 HydrophobicContact CE2-CB 3.99Å; Y110-A176 HydrophobicContact CG-CB 4.38Å; A176-R178 PolarHBondContact O-N 3.06Å |
| 177 | F | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 36.3 | -179.5 | -55.7 | -82 | 0 | 0 | 0 | 113.3 | S38 E82 F103 K105 Y110 | S38-F177 PolarHBondContact O-N 2.91Å; E82-F177 HydrophobicContact CB-CE1 4.04Å; E82-F177 HydrophobicContact CB-CE2 4.35Å; E82-F177 HydrophobicContact CB-CZ 3.89Å; E82-F177 VanDerWaalsContact CD-CD1 3.41Å; E82-F177 HydrophobicContact CG-CD1 3.83Å; E82-F177 HydrophobicContact CG-CE1 3.51Å; E82-F177 HydrophobicContact CG-CG 4.48Å; E82-F177 HydrophobicContact CG-CZ 3.9Å; E82-F177 VanDerWaalsContact OE1-CA 3.22Å; E82-F177 WeakPolarHBondContact OE1-CA 3.33Å; E82-F177 WeakPolarHBondContact OE1-CD1 3.39Å; E82-F177 PolarHBondContact OE1-N 3.25Å; E82-F177 PolarHBondContact OE2-N 2.8Å; F103-F177 HydrophobicContact CB-CE2 3.9Å; F103-F177 HydrophobicContact CB-CZ 4.49Å; K105-F177 HydrophobicContact CB-CD1 4.18Å; K105-F177 HydrophobicContact CB-CD2 4.26Å; K105-F177 HydrophobicContact CB-CE1 3.75Å; K105-F177 HydrophobicContact CB-CE2 3.85Å; K105-F177 HydrophobicContact CB-CG 4.42Å; K105-F177 HydrophobicContact CB-CZ 3.57Å; K105-F177 HydrophobicContact CD-CD1 4.1Å; K105-F177 HydrophobicContact CD-CE1 4.34Å; K105-F177 HydrophobicContact CD-CG 4.42Å; Y110-F177 HydrophobicContact CD1-CD2 4.48Å; Y110-F177 AromaticContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CE2 4.48Å |
| 178 | R | 90.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 141.3 | 179.1 | 152.2 | -172.3 | 170.4 | -174.6 | 63 | 110.4 | S37 S38 Q175 A176 G180 E182 E184 | S37-R178 CarbonylContact C-O 3.52Å; S37-R178 VanDerWaalsContact C-O 3.32Å; S37-R178 WeakPolarHBondContact CA-O 3.17Å; S38-R178 PolarHBondContact N-O 2.8Å; S38-R178 WeakPolarHBondContact O-CB 3.48Å; S38-R178 PolarHBondContact O-N 2.83Å; S38-R178 WeakPolarHBondContact OG-CD 3.36Å; S38-R178 VanDerWaalsContact OG-CG 3.26Å; S38-R178 WeakPolarHBondContact OG-CG 3.45Å; S38-R178 PolarHBondContact OG-NE 2.68Å; S38-R178 PolarHBondContact OG-NH1 2.81Å; Q175-R178 HydrophobicContact CG-CB 4.2Å; A176-R178 PolarHBondContact O-N 3.06Å; R178-G180 PolarHBondContact NE-O 2.8Å; R178-G180 VanDerWaalsContact NE-O 3.16Å; R178-E182 VanDerWaalsContact CZ-N 3.31Å; R178-E182 PolarHBondContact NH1-O 2.8Å; R178-E182 VanDerWaalsContact NH2-N 3.12Å; R178-E182 PolarHBondContact NH2-O 2.98Å; R178-E184 PolarHBondContact NH2-O 3.46Å |
| 179 | H | 87.4 | Confident | 91.6 | Very high | 155 Ų | 155 | 57 Ų | 57 | 72% | 0.718 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -83 | 134.8 | 165.6 | -61.6 | 108.5 | 0 | 0 | 0 | 110.7 | D36 | D36-H179 PolarHBondContact O-CD2 2.87Š|
| 180 | G | 84.9 | Confident | 91.6 | Very high | 22 Ų | 22 | 59.1 Ų | 59.1 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 82.6 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N35 S38 R178 | N35-G180 WeakPolarHBondContact O-CA 3.45Å; N35-G180 PolarHBondContact O-N 3.27Å; S38-G180 WeakPolarHBondContact CB-O 3.16Å; S38-G180 PolarHBondContact OG-O 3.05Å; R178-G180 PolarHBondContact NE-O 2.8Å; R178-G180 VanDerWaalsContact NE-O 3.16Å |
| 181 | L | 86.4 | Confident | 91.4 | Very high | 93 Ų | 93 | 63.3 Ų | 63.3 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | trans | -122.3 | 19.6 | -168.4 | -73.4 | 166.3 | 0 | 0 | 0 | 113.6 | ||||
| 182 | E | 86.6 | Confident | 91.3 | Very high | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | trans | -52.7 | 150.3 | -178.6 | -57.1 | -65 | 146.4 | 0 | 0 | 111.9 | R178 E184 | R178-E182 VanDerWaalsContact CZ-N 3.31Å; R178-E182 PolarHBondContact NH1-O 2.8Å; R178-E182 VanDerWaalsContact NH2-N 3.12Å; R178-E182 PolarHBondContact NH2-O 2.98Å; E182-E184 PolarHBondContact O-N 3.1Å | ||
| 183 | P | 86.7 | Confident | 90.9 | Very high | 93 Ų | 93 | 64.9 Ų | 64.9 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -73.4 | -18.3 | 177.6 | 26.5 | -31.5 | 0 | 0 | 0 | 112.7 | ||
| 184 | E | 90.6 | Very high | 90.3 | Very high | 137 Ų | 137 | 66.3 Ų | 66.3 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -102.5 | 156 | -170.3 | -65.8 | 179.1 | -172.4 | 0 | 0 | 113.1 | R178 E182 N186 | R178-E184 PolarHBondContact NH2-O 3.46Å; E182-E184 PolarHBondContact O-N 3.1Å; E184-N186 PolarHBondContact O-OD1 2.92Å |
| 185 | F | 92.4 | Very high | 89.7 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | trans | -75.5 | 128.2 | 172 | -68.9 | -83.7 | 0 | 0 | 0 | 109.7 | L40 Q42 Y144 K173 Q175 | L40-F185 HydrophobicContact CB-CE1 4.19Å; L40-F185 HydrophobicContact CD2-CD1 3.92Å; L40-F185 HydrophobicContact CD2-CD2 4.01Å; L40-F185 HydrophobicContact CD2-CE1 3.83Å; L40-F185 HydrophobicContact CD2-CE2 3.93Å; L40-F185 HydrophobicContact CD2-CG 4Å; L40-F185 HydrophobicContact CD2-CZ 3.83Å; L40-F185 HydrophobicContact CG-CD1 4.39Å; L40-F185 HydrophobicContact CG-CE1 3.82Å; L40-F185 HydrophobicContact CG-CE2 4.24Å; L40-F185 HydrophobicContact CG-CZ 3.73Å; Q42-F185 HydrophobicContact CB-CE2 3.78Å; Q42-F185 HydrophobicContact CB-CZ 3.7Å; Y144-F185 HydrophobicContact CD1-CB 3.94Å; Y144-F185 HydrophobicContact CD2-CB 4.19Å; Y144-F185 HydrophobicContact CD2-CD1 4.17Å; Y144-F185 HydrophobicContact CD2-CG 4.3Å; Y144-F185 HydrophobicContact CE1-CB 4.14Å; Y144-F185 HydrophobicContact CE2-CB 4.38Å; Y144-F185 HydrophobicContact CG-CB 3.96Å; Y144-F185 HydrophobicContact CG-CD1 4.08Å; Y144-F185 HydrophobicContact CG-CG 4.33Å; K173-F185 HydrophobicContact CB-CD1 4.38Å; K173-F185 HydrophobicContact CB-CD2 4.34Å; K173-F185 HydrophobicContact CB-CE1 3.75Å; K173-F185 HydrophobicContact CB-CE2 3.71Å; K173-F185 HydrophobicContact CB-CZ 3.38Å; K173-F185 HydrophobicContact CD-CD2 4.04Å; K173-F185 HydrophobicContact CD-CE2 3.91Å; K173-F185 HydrophobicContact CD-CZ 4.44Å; K173-F185 HydrophobicContact CG-CE2 4.49Å; Q175-F185 HydrophobicContact CB-CD1 3.85Å; Q175-F185 HydrophobicContact CB-CE1 4.09Å | ||
| 186 | N | 89.3 | Confident | 88.6 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | trans | -113.2 | 149.2 | -175.5 | -66.7 | -12.9 | 0 | 0 | 0 | 111.4 | Q175 E184 | Q175-N186 PolarHBondContact NE2-O 2.8Å; E184-N186 PolarHBondContact O-OD1 2.92Å | ||
| 187 | G | 90.5 | Very high | 87.2 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 87 | -157.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G142 | G142-G187 WeakPolarHBondContact O-CA 3.39Š|
| 188 | I | 92.8 | Very high | 85.4 | Confident | 124 Ų | 124 | 84.2 Ų | 84.2 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | trans | -78.8 | 137.6 | -171.8 | -59.1 | 169.5 | 0 | 0 | 0 | 109.8 | S143 Y144 | S143-I188 VanDerWaalsContact CA-O 3.31Å; S143-I188 WeakPolarHBondContact CA-O 3.48Å; S143-I188 WeakPolarHBondContact CB-O 3.34Å; Y144-I188 PolarHBondContact N-O 3.44Å | ||
| 189 | M | 93.2 | Very high | 84.2 | Confident | 83 Ų | 83 | 89.9 Ų | 89.9 | 41% | 0.409 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.4 | 172.6 | -174.1 | 176.9 | 62.4 | 0 | 0 | 110.5 | Y144 Q191 | Y144-M189 HydrophobicContact CD2-CG 4.37Å; Y144-M189 HydrophobicContact CE1-CB 4.01Å; Y144-M189 HydrophobicContact CE2-CB 3.87Å; Y144-M189 HydrophobicContact CE2-CG 3.58Å; Y144-M189 HydrophobicContact CE2-SD 4.25Å; Y144-M189 WeakPolarHBondContact OH-CB 3.1Å; M189-Q191 HydrophobicContact CE-CG 3.78Å; M189-Q191 HydrophobicContact CG-CG 4.36Å; M189-Q191 HydrophobicContact SD-CG 4.3Å |
| 190 | V | 93.7 | Very high | 83.2 | Confident | 47 Ų | 47 | 92 Ų | 92 | 29% | 0.285 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.3 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | A139 Y144 Y145 S146 | A139-V190 HydrophobicContact CB-CB 4.21Å; A139-V190 HydrophobicContact CB-CG2 4.01Å; Y144-V190 PolarHBondContact O-N 2.94Å; Y145-V190 CarbonylContact C-O 3.6Å; Y145-V190 WeakPolarHBondContact CA-O 3.25Å; S146-V190 PolarHBondContact N-O 2.04Å |
| 191 | Q | 90.9 | Very high | 82.7 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 148.5 | 179.8 | -73.6 | -179.8 | -43.6 | 0 | 0 | 112.5 | S146 M189 | S146-Q191 WeakPolarHBondContact O-CA 3.33Å; M189-Q191 HydrophobicContact CE-CG 3.78Å; M189-Q191 HydrophobicContact CG-CG 4.36Å; M189-Q191 HydrophobicContact SD-CG 4.3Å |
| 192 | C | 91.2 | Very high | 82.5 | Confident | 11 Ų | 11 | 91.3 Ų | 91.3 | 7% | 0.074 | 47% | 0.474 | C | S | . | . | trans | -75.5 | 156.6 | 171.8 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | Y145 S146 C147 L194 D195 | Y145-C192 HydrophobicContact CE2-CB 4.03Å; Y145-C192 WeakPolarHBondContact OH-CB 3.47Å; S146-C192 PolarHBondContact O-N 2.8Å; S146-C192 VanDerWaalsContact O-N 3.1Å; C147-C192 WeakPolarHBondContact CA-SG 3.34Å; C147-C192 HydrophobicContact CB-CB 3.52Å; C147-C192 WeakPolarHBondContact CB-SG 3.35Å; C147-C192 WeakPolarHBondContact SG-CB 3.15Å; C147-C192 CovalentContact SG-SG 2.04Å; C147-C192 PolarHBondContact SG-SG 3.43Å; C192-L194 PolarHBondContact O-N 3.18Å; C192-D195 PolarHBondContact O-N 3.38Å; C192-D195 PolarHBondContact SG-OD1 3.14Å | ||
| 193 | S | 86.3 | Confident | 82.5 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 72% | 0.72 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -66.9 | -23.5 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D195 Y196 | S193-D195 VanDerWaalsContact C-N 3.3Å; S193-D195 PolarHBondContact O-N 2.78Å; S193-Y196 VanDerWaalsContact O-CB 3.24Å; S193-Y196 WeakPolarHBondContact O-CB 3.17Å; S193-Y196 PolarHBondContact O-N 2.57Å |
| 194 | L | 83.7 | Confident | 82.4 | Confident | 85 Ų | 85 | 90.2 Ų | 90.2 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -72.4 | -23.6 | 179.8 | -70.3 | 87.1 | 0 | 0 | 0 | 112.7 | A149 C192 Y196 | A149-L194 HydrophobicContact CB-CB 3.66Å; C192-L194 PolarHBondContact O-N 3.18Å; L194-Y196 PolarHBondContact O-N 2.82Å |
| 195 | D | 83 | Confident | 82.3 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 12% | 0.123 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -72.2 | -8.2 | 173.8 | -75 | -4.5 | 0 | 0 | 0 | 112.1 | Q148 A149 C192 S193 H197 | Q148-D195 WeakPolarHBondContact CA-OD1 3.32Å; Q148-D195 VanDerWaalsContact N-CG 3.32Å; Q148-D195 PolarHBondContact N-OD1 3.06Å; Q148-D195 PolarHBondContact N-OD2 2.79Å; A149-D195 VanDerWaalsContact CB-OD1 3.31Å; A149-D195 WeakPolarHBondContact CB-OD1 3.44Å; A149-D195 PolarHBondContact N-OD1 3.02Å; C192-D195 PolarHBondContact O-N 3.38Å; C192-D195 PolarHBondContact SG-OD1 3.14Å; S193-D195 VanDerWaalsContact C-N 3.3Å; S193-D195 PolarHBondContact O-N 2.78Å; D195-H197 VanDerWaalsContact C-N 3.26Å; D195-H197 PolarHBondContact O-CD2 2.9Å; D195-H197 PolarHBondContact O-N 3Å |
| 196 | Y | 71.3 | Confident | 82.3 | Confident | 162 Ų | 162 | 90.1 Ų | 90.1 | 64% | 0.635 | 48% | 0.478 | S | S | * | . | trans | -74.9 | 80.6 | 175.2 | -162.8 | -96 | 0 | 0 | 0 | 110.2 | S193 L194 L198 V201 | S193-Y196 VanDerWaalsContact O-CB 3.24Å; S193-Y196 WeakPolarHBondContact O-CB 3.17Å; S193-Y196 PolarHBondContact O-N 2.57Å; L194-Y196 PolarHBondContact O-N 2.82Å; Y196-L198 PolarHBondContact O-N 2.63Å; Y196-V201 HydrophobicContact CD1-CG2 4.49Å; Y196-V201 HydrophobicContact CE1-CG2 3.72Å; Y196-V201 HydrophobicContact CE2-CG2 4.33Å | ||
| 197 | H | 65.6 | Low | 82.5 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 43% | 0.431 | 48% | 0.478 | S | S | . | . | trans | -70.4 | 111.9 | 179.6 | -64.8 | -68.1 | 0 | 0 | 0 | 111.4 | D195 D199 R200 | D195-H197 VanDerWaalsContact C-N 3.26Å; D195-H197 PolarHBondContact O-CD2 2.9Å; D195-H197 PolarHBondContact O-N 3Å; H197-D199 PolarHBondContact O-N 2.94Å; H197-D199 VanDerWaalsContact O-N 3.13Å; H197-R200 PolarHBondContact O-N 2.78Å; H197-R200 VanDerWaalsContact O-N 3.15Å | ||
| 198 | L | 56.8 | Low | 82.7 | Confident | 119 Ų | 119 | 90.7 Ų | 90.7 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -50 | -32.5 | 167.3 | -81.6 | 142.5 | 0 | 0 | 0 | 111.8 | Y196 R200 V201 V202 | Y196-L198 PolarHBondContact O-N 2.63Å; L198-R200 PolarHBondContact O-N 2.83Å; L198-V201 PolarHBondContact O-N 3.01Å; L198-V202 HydrophobicContact CB-CG2 4.43Å; L198-V202 HydrophobicContact CD2-CG2 4.45Å; L198-V202 WeakPolarHBondContact O-CB 3.4Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.87Å |
| 199 | D | 64.5 | Low | 82.7 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -25 | -177.1 | -54.3 | -29.6 | 0 | 0 | 0 | 114 | H197 P203 | H197-D199 PolarHBondContact O-N 2.94Å; H197-D199 VanDerWaalsContact O-N 3.13Å; D199-P203 WeakPolarHBondContact O-CD 3.15Å; D199-P203 WeakPolarHBondContact O-CG 3.23Å |
| 200 | R | 66.5 | Low | 82.8 | Confident | 198 Ų | 198 | 88.5 Ų | 88.5 | 75% | 0.747 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -86.3 | -32 | 171.2 | -70.6 | -173.6 | -173.2 | -178.3 | 3.8 | 112.1 | H197 L198 I204 | H197-R200 PolarHBondContact O-N 2.78Å; H197-R200 VanDerWaalsContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.83Å; R200-I204 VanDerWaalsContact O-CD1 3.27Å; R200-I204 WeakPolarHBondContact O-CD1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å |
| 201 | V | 75.1 | Confident | 82.9 | Confident | 36 Ų | 36 | 88.5 Ų | 88.5 | 22% | 0.218 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -78.5 | -39.1 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | Y196 L198 I204 V205 | Y196-V201 HydrophobicContact CD1-CG2 4.49Å; Y196-V201 HydrophobicContact CE1-CG2 3.72Å; Y196-V201 HydrophobicContact CE2-CG2 4.33Å; L198-V201 PolarHBondContact O-N 3.01Å; V201-I204 WeakPolarHBondContact O-CB 3.31Å; V201-I204 PolarHBondContact O-N 3Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V201-V205 HydrophobicContact CG1-CG2 3.93Å; V201-V205 WeakPolarHBondContact O-CG2 3.48Å; V201-V205 PolarHBondContact O-N 2.85Å |
| 202 | V | 81.2 | Confident | 83.2 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | -177.1 | 168 | 0 | 0 | 0 | 0 | 112 | L198 I204 V205 I206 | L198-V202 HydrophobicContact CB-CG2 4.43Å; L198-V202 HydrophobicContact CD2-CG2 4.45Å; L198-V202 WeakPolarHBondContact O-CB 3.4Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.87Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 2.74Å; V202-V205 PolarHBondContact O-N 2.82Å; V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.36Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.4Å; V202-I206 PolarHBondContact O-N 3.39Å |
| 203 | P | 86.4 | Confident | 83.4 | Confident | 81 Ų | 81 | 92 Ų | 92 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 175.6 | -25.2 | 34.7 | 0 | 0 | 0 | 113.3 | D199 G207 | D199-P203 WeakPolarHBondContact O-CD 3.15Å; D199-P203 WeakPolarHBondContact O-CG 3.23Å; P203-G207 PolarHBondContact O-N 2.81Å |
| 204 | I | 85.5 | Confident | 83.9 | Confident | 106 Ų | 106 | 92 Ų | 92 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 178.4 | -60.9 | 169 | 0 | 0 | 0 | 110 | R200 V201 V202 I206 G207 I208 | R200-I204 VanDerWaalsContact O-CD1 3.27Å; R200-I204 WeakPolarHBondContact O-CD1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; V201-I204 WeakPolarHBondContact O-CB 3.31Å; V201-I204 PolarHBondContact O-N 3Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 2.74Å; I204-I206 PolarHBondContact O-N 2.79Å; I204-G207 PolarHBondContact O-N 2.9Å; I204-I208 HydrophobicContact CG2-CD1 3.93Å; I204-I208 WeakPolarHBondContact O-CG1 3.41Å; I204-I208 PolarHBondContact O-N 2.83Å |
| 205 | V | 88.9 | Confident | 84.5 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 179 | 174 | 0 | 0 | 0 | 0 | 111.2 | V201 V202 I208 S209 | V201-V205 HydrophobicContact CG1-CG2 3.93Å; V201-V205 WeakPolarHBondContact O-CG2 3.48Å; V201-V205 PolarHBondContact O-N 2.85Å; V202-V205 PolarHBondContact O-N 2.82Å; V205-I208 PolarHBondContact O-N 2.75Å; V205-S209 WeakPolarHBondContact O-CB 3.46Å; V205-S209 PolarHBondContact O-N 3.16Å; V205-S209 PolarHBondContact O-OG 2.95Å |
| 206 | I | 91.7 | Very high | 85 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.4 | -65.9 | 168.9 | 0 | 0 | 0 | 110.2 | V202 I204 I208 S209 L210 | V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.36Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.4Å; V202-I206 PolarHBondContact O-N 3.39Å; I204-I206 PolarHBondContact O-N 2.79Å; I206-I208 PolarHBondContact O-N 2.9Å; I206-S209 PolarHBondContact O-N 2.92Å; I206-L210 HydrophobicContact CG2-CD1 4Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.84Å |
| 207 | G | 93.1 | Very high | 86.1 | Confident | 38 Ų | 38 | 90.9 Ų | 90.9 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P203 I204 L210 A211 | P203-G207 PolarHBondContact O-N 2.81Å; I204-G207 PolarHBondContact O-N 2.9Å; G207-L210 PolarHBondContact O-N 2.99Å; G207-A211 PolarHBondContact O-N 3.25Å |
| 208 | I | 94.6 | Very high | 87.5 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.3 | -66 | 169.2 | 0 | 0 | 0 | 110.6 | I204 V205 I206 L210 A211 V212 | I204-I208 HydrophobicContact CG2-CD1 3.93Å; I204-I208 WeakPolarHBondContact O-CG1 3.41Å; I204-I208 PolarHBondContact O-N 2.83Å; V205-I208 PolarHBondContact O-N 2.75Å; I206-I208 PolarHBondContact O-N 2.9Å; I208-L210 PolarHBondContact O-N 2.73Å; I208-A211 PolarHBondContact O-N 3.14Å; I208-V212 HydrophobicContact CG2-CG2 4.37Å; I208-V212 WeakPolarHBondContact O-CG2 3.22Å; I208-V212 PolarHBondContact O-N 2.87Å |
| 209 | S | 94.4 | Very high | 89.2 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | V205 I206 M213 | V205-S209 WeakPolarHBondContact O-CB 3.46Å; V205-S209 PolarHBondContact O-N 3.16Å; V205-S209 PolarHBondContact O-OG 2.95Å; I206-S209 PolarHBondContact O-N 2.92Å; S209-M213 PolarHBondContact O-N 3.1Å; S209-M213 VanDerWaalsContact O-N 3.09Å |
| 210 | L | 95.1 | Very high | 90.6 | Very high | 90 Ų | 90 | 86.1 Ų | 86.1 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176.3 | -70.3 | 176.4 | 0 | 0 | 0 | 112.1 | I206 G207 I208 V212 M213 I214 | I206-L210 HydrophobicContact CG2-CD1 4Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.84Å; G207-L210 PolarHBondContact O-N 2.99Å; I208-L210 PolarHBondContact O-N 2.73Å; L210-V212 PolarHBondContact O-N 3.24Å; L210-M213 HydrophobicContact CD2-CE 4.02Å; L210-M213 PolarHBondContact O-N 3.01Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.19Å |
| 211 | A | 95.7 | Very high | 91.8 | Very high | 48 Ų | 48 | 83.4 Ų | 83.4 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | G207 I208 M213 I214 I215 | G207-A211 PolarHBondContact O-N 3.25Å; I208-A211 PolarHBondContact O-N 3.14Å; A211-M213 PolarHBondContact O-N 3.31Å; A211-I214 PolarHBondContact O-N 3.41Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.49Å; A211-I215 PolarHBondContact O-N 3.23Å; A211-I215 VanDerWaalsContact O-N 3.07Å |
| 212 | V | 96.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 86.2 Ų | 86.2 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | I208 L210 I214 I215 V216 | I208-V212 HydrophobicContact CG2-CG2 4.37Å; I208-V212 WeakPolarHBondContact O-CG2 3.22Å; I208-V212 PolarHBondContact O-N 2.87Å; L210-V212 PolarHBondContact O-N 3.24Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 2.98Å; V212-I215 PolarHBondContact O-N 2.88Å; V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.23Å; V212-V216 PolarHBondContact O-N 2.74Å |
| 213 | M | 95.3 | Very high | 92.8 | Very high | 123 Ų | 123 | 88.4 Ų | 88.4 | 61% | 0.606 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 178.8 | -166.3 | -141.9 | -59.9 | 0 | 0 | 112 | S209 L210 A211 V216 A217 | S209-M213 PolarHBondContact O-N 3.1Å; S209-M213 VanDerWaalsContact O-N 3.09Å; L210-M213 HydrophobicContact CD2-CE 4.02Å; L210-M213 PolarHBondContact O-N 3.01Å; A211-M213 PolarHBondContact O-N 3.31Å; M213-V216 PolarHBondContact O-N 3Å; M213-A217 WeakPolarHBondContact O-CB 3.39Å; M213-A217 PolarHBondContact O-N 2.99Å |
| 214 | I | 96.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 89.1 Ų | 89.1 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.7 | -68.2 | 166.4 | 0 | 0 | 0 | 110.8 | L210 A211 V212 V216 A217 L218 | L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.19Å; A211-I214 PolarHBondContact O-N 3.41Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 2.98Å; I214-V216 VanDerWaalsContact C-N 3.33Å; I214-V216 PolarHBondContact O-N 2.78Å; I214-A217 PolarHBondContact O-N 2.93Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 WeakPolarHBondContact O-CG 3.17Å; I214-L218 PolarHBondContact O-N 3.42Å |
| 215 | I | 96.2 | Very high | 92.3 | Very high | 97 Ų | 97 | 85.8 Ų | 85.8 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 179.3 | -68 | 166.3 | 0 | 0 | 0 | 110.7 | A211 V212 A217 L218 I219 | A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.49Å; A211-I215 PolarHBondContact O-N 3.23Å; A211-I215 VanDerWaalsContact O-N 3.07Å; V212-I215 PolarHBondContact O-N 2.88Å; I215-A217 PolarHBondContact O-N 2.75Å; I215-L218 PolarHBondContact O-N 3.49Å; I215-I219 HydrophobicContact CG2-CD1 3.96Å; I215-I219 WeakPolarHBondContact O-CG1 3.28Å; I215-I219 PolarHBondContact O-N 2.91Å |
| 216 | V | 95.3 | Very high | 91.6 | Very high | 91 Ų | 91 | 90.8 Ų | 90.8 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | V212 M213 I214 L218 I219 A220 | V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.23Å; V212-V216 PolarHBondContact O-N 2.74Å; M213-V216 PolarHBondContact O-N 3Å; I214-V216 VanDerWaalsContact C-N 3.33Å; I214-V216 PolarHBondContact O-N 2.78Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 2.75Å; V216-I219 PolarHBondContact O-N 3.08Å; V216-A220 PolarHBondContact O-N 3Å |
| 217 | A | 94.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M213 I214 I215 A220 F221 | M213-A217 WeakPolarHBondContact O-CB 3.39Å; M213-A217 PolarHBondContact O-N 2.99Å; I214-A217 PolarHBondContact O-N 2.93Å; I215-A217 PolarHBondContact O-N 2.75Å; A217-A220 PolarHBondContact O-N 3.45Å; A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.05Å |
| 218 | L | 94.7 | Very high | 89 | Confident | 101 Ų | 101 | 99 Ų | 99 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.5 | -70.2 | 174.4 | 0 | 0 | 0 | 112 | I214 I215 V216 F221 I222 | I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 WeakPolarHBondContact O-CG 3.17Å; I214-L218 PolarHBondContact O-N 3.42Å; I215-L218 PolarHBondContact O-N 3.49Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 2.75Å; L218-F221 PolarHBondContact O-N 2.9Å; L218-I222 VanDerWaalsContact O-CG1 3.28Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 3.25Å |
| 219 | I | 93.3 | Very high | 87.3 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.8 | -67 | 167.2 | 0 | 0 | 0 | 110.4 | I215 V216 F221 I222 I223 | I215-I219 HydrophobicContact CG2-CD1 3.96Å; I215-I219 WeakPolarHBondContact O-CG1 3.28Å; I215-I219 PolarHBondContact O-N 2.91Å; V216-I219 PolarHBondContact O-N 3.08Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.83Å; I219-I222 PolarHBondContact O-N 3.26Å; I219-I223 HydrophobicContact CG2-CD1 3.98Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.06Å; I219-I223 VanDerWaalsContact O-N 3.11Å |
| 220 | A | 92.4 | Very high | 85.4 | Confident | 50 Ų | 50 | 106.3 Ų | 106.3 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V216 A217 I223 T224 | V216-A220 PolarHBondContact O-N 3Å; A217-A220 PolarHBondContact O-N 3.45Å; A220-I223 PolarHBondContact O-N 2.88Å; A220-T224 PolarHBondContact O-N 3Å; A220-T224 VanDerWaalsContact O-N 3.09Å; A220-T224 PolarHBondContact O-OG1 2.82Å |
| 221 | F | 91.9 | Very high | 83.5 | Confident | 142 Ų | 142 | 106.7 Ų | 106.7 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 176 | 179.8 | -101.9 | 0 | 0 | 0 | 112.1 | A217 L218 I219 I223 T224 S225 | A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.05Å; L218-F221 PolarHBondContact O-N 2.9Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.83Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 2.95Å; F221-T224 PolarHBondContact O-N 3.25Å; F221-S225 WeakPolarHBondContact O-CB 3.36Å; F221-S225 PolarHBondContact O-N 2.49Å |
| 222 | I | 89 | Confident | 81.6 | Confident | 94 Ų | 94 | 110 Ų | 110 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -43.5 | 179.1 | -69.9 | 166.4 | 0 | 0 | 0 | 111 | L218 I219 S225 R226 | L218-I222 VanDerWaalsContact O-CG1 3.28Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 3.25Å; I219-I222 PolarHBondContact O-N 3.26Å; I222-S225 PolarHBondContact O-N 2.79Å; I222-R226 WeakPolarHBondContact O-CB 3.34Å; I222-R226 WeakPolarHBondContact O-CG 3.48Å; I222-R226 PolarHBondContact O-N 3.36Å |
| 223 | I | 88.4 | Confident | 79.4 | Confident | 112 Ų | 112 | 109.2 Ų | 109.2 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -44.9 | 178.2 | -65.1 | 167.4 | 0 | 0 | 0 | 110.6 | I219 A220 F221 R226 R227 | I219-I223 HydrophobicContact CG2-CD1 3.98Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.06Å; I219-I223 VanDerWaalsContact O-N 3.11Å; A220-I223 PolarHBondContact O-N 2.88Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 2.95Å; I223-R226 PolarHBondContact O-N 2.89Å; I223-R227 PolarHBondContact O-N 2.78Å; I223-R227 VanDerWaalsContact O-N 3.11Å |
| 224 | T | 83.2 | Confident | 76.9 | Confident | 96 Ų | 96 | 110 Ų | 110 | 59% | 0.589 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | A220 F221 R226 R227 N228 | A220-T224 PolarHBondContact O-N 3Å; A220-T224 VanDerWaalsContact O-N 3.09Å; A220-T224 PolarHBondContact O-OG1 2.82Å; F221-T224 PolarHBondContact O-N 3.25Å; T224-R226 VanDerWaalsContact C-N 3.35Å; T224-R226 PolarHBondContact O-N 3.22Å; T224-R227 PolarHBondContact O-N 2.78Å; T224-N228 PolarHBondContact O-N 3.16Å |
| 225 | S | 79.1 | Confident | 74.4 | Confident | 36 Ų | 36 | 108.8 Ų | 108.8 | 25% | 0.252 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 177.2 | -169.5 | 0 | 0 | 0 | 0 | 112 | F221 I222 R227 N228 R229 | F221-S225 WeakPolarHBondContact O-CB 3.36Å; F221-S225 PolarHBondContact O-N 2.49Å; I222-S225 PolarHBondContact O-N 2.79Å; S225-R227 VanDerWaalsContact C-N 3.35Å; S225-R227 PolarHBondContact O-N 3.3Å; S225-N228 PolarHBondContact O-N 2.78Å; S225-R229 PolarHBondContact O-N 3.47Å |
| 226 | R | 74.5 | Confident | 71.8 | Confident | 184 Ų | 184 | 110.2 Ų | 110.2 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.1 | -40.6 | 173.9 | -79.4 | -177.5 | 170.9 | -164.7 | -1.7 | 112.1 | I222 I223 T224 N228 R229 N230 | I222-R226 WeakPolarHBondContact O-CB 3.34Å; I222-R226 WeakPolarHBondContact O-CG 3.48Å; I222-R226 PolarHBondContact O-N 3.36Å; I223-R226 PolarHBondContact O-N 2.89Å; T224-R226 VanDerWaalsContact C-N 3.35Å; T224-R226 PolarHBondContact O-N 3.22Å; R226-N228 VanDerWaalsContact C-N 3.33Å; R226-N228 PolarHBondContact O-N 2.67Å; R226-R229 PolarHBondContact O-N 3.05Å; R226-N230 PolarHBondContact O-N 2.59Å |
| 227 | R | 69.1 | Low | 69 | Low | 187 Ų | 187 | 111.4 Ų | 111.4 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -38.3 | 175.9 | -171.1 | 174.2 | 173 | 174.5 | -2.2 | 112 | I223 T224 S225 R229 N230 I231 | I223-R227 PolarHBondContact O-N 2.78Å; I223-R227 VanDerWaalsContact O-N 3.11Å; T224-R227 PolarHBondContact O-N 2.78Å; S225-R227 VanDerWaalsContact C-N 3.35Å; S225-R227 PolarHBondContact O-N 3.3Å; R227-R229 PolarHBondContact O-N 3.49Å; R227-N230 PolarHBondContact O-N 2.73Å; R227-I231 HydrophobicContact CG-CD1 4.07Å; R227-I231 PolarHBondContact O-N 3.37Å |
| 228 | N | 60.8 | Low | 66.5 | Low | 115 Ų | 115 | 112.1 Ų | 112.1 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.2 | -28.6 | -179.1 | -136.7 | 31.9 | 0 | 0 | 0 | 113.3 | T224 S225 R226 N230 I231 | T224-N228 PolarHBondContact O-N 3.16Å; S225-N228 PolarHBondContact O-N 2.78Å; R226-N228 VanDerWaalsContact C-N 3.33Å; R226-N228 PolarHBondContact O-N 2.67Å; N228-N230 VanDerWaalsContact C-N 3.34Å; N228-I231 PolarHBondContact O-N 3Å |
| 229 | R | 58.4 | Low | 63.8 | Low | 194 Ų | 194 | 110.7 Ų | 110.7 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.2 | -26.3 | 173.4 | -67.3 | -179 | -170.6 | -177.4 | 1.6 | 113.2 | S225 R226 R227 | S225-R229 PolarHBondContact O-N 3.47Å; R226-R229 PolarHBondContact O-N 3.05Å; R227-R229 PolarHBondContact O-N 3.49Å |
| 230 | N | 54.6 | Low | 61.3 | Low | 134 Ų | 134 | 116.9 Ų | 116.9 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86 | -10.9 | 176.8 | -72.3 | -1 | 0 | 0 | 0 | 113.6 | R226 R227 N228 | R226-N230 PolarHBondContact O-N 2.59Å; R227-N230 PolarHBondContact O-N 2.73Å; N228-N230 VanDerWaalsContact C-N 3.34Å |
| 231 | I | 55.8 | Low | 58.6 | Low | 97 Ų | 97 | 123.9 Ų | 123.9 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -89.6 | -17.2 | 178.9 | -74.6 | 170.8 | 0 | 0 | 0 | 112.7 | R227 N228 G233 | R227-I231 HydrophobicContact CG-CD1 4.07Å; R227-I231 PolarHBondContact O-N 3.37Å; N228-I231 PolarHBondContact O-N 3Å; I231-G233 PolarHBondContact O-N 3.24Å; I231-G233 VanDerWaalsContact O-N 3.1Å |
| 232 | S | 53.8 | Low | 56.3 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 6.4 | 169.9 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 233 | G | 51 | Low | 54 | Low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | I231 | I231-G233 PolarHBondContact O-N 3.24Å; I231-G233 VanDerWaalsContact O-N 3.1Å |
| 234 | N | 43.4 | Very low | 52.3 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -145 | 98.2 | 175.9 | -135.6 | 8.3 | 0 | 0 | 0 | 111.2 | V236 | N234-V236 PolarHBondContact O-N 3.42Š| ||
| 235 | G | 43.7 | Very low | 50.7 | Low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -65.3 | 124.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 236 | V | 40.6 | Very low | 49.1 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -135.6 | 97.6 | 158.4 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | N234 | N234-V236 PolarHBondContact O-N 3.42Š| ||
| 237 | S | 36.6 | Very low | 47.6 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 18.6 | 98.7 | 143.2 | -145.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 238 | G | 41.1 | Very low | 46.2 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -96.9 | 97.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 239 | G | 38.4 | Very low | 45.3 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -66.1 | 128.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | Q241 | G239-Q241 PolarHBondContact O-N 2.88Š| ||
| 240 | Y | 40.4 | Very low | 44.3 | Very low | 225 Ų | 225 | 132.4 Ų | 132.4 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 118.1 | 158.6 | -86.4 | -99.2 | 0 | 0 | 0 | 108.3 | ||||
| 241 | Q | 37.3 | Very low | 43.5 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 103.7 | 146.8 | -96.6 | -166.9 | -63.8 | 0 | 0 | 107.2 | G239 | G239-Q241 PolarHBondContact O-N 2.88Š| ||
| 242 | Q | 42.8 | Very low | 42.5 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -111.4 | 126.8 | 147.1 | -77.1 | -143.8 | -17 | 0 | 0 | 107.3 | ||||
| 243 | I | 40.9 | Very low | 41.5 | Very low | 238 Ų | 238 | 136.7 Ų | 136.7 | 100% | 1.221 | 83% | 0.83 | S | S | * | * | trans | 9.8 | 0 | 151.4 | -45.8 | 174.7 | 0 | 0 | 0 | 115.9 |
Retrieved 243 of 243 residues in 77 ms
(Link to these results)