| 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 | 37.4 | Very low | 40.4 | Very low | 245 Ų | 245 | 157.2 Ų | 157.2 | 100% | 1.207 | 82% | 0.82 | S | S | * | * | 0 | 105.2 | 0 | -76.2 | 176.2 | 163.2 | 0 | 0 | 107.7 | |||||
| 2 | L | 36.6 | Very low | 40.2 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -80.8 | 116.6 | 176.4 | -86.5 | 97.4 | 0 | 0 | 0 | 109.2 | ||||
| 3 | V | 39.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 157.5 Ų | 157.5 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -139 | 100.5 | 147 | -175.1 | 0 | 0 | 0 | 0 | 107 | N5 | V3-N5 PolarHBondContact O-N 2.92Š| ||
| 4 | R | 42.3 | Very low | 40 | Very low | 227 Ų | 227 | 158.7 Ų | 158.7 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -78.7 | 98 | 176.7 | -161.3 | 177.2 | -174.6 | -175.8 | 0.9 | 106.1 | S6 | R4-S6 PolarHBondContact O-N 3.35Š| ||
| 5 | N | 40.5 | Very low | 39.8 | Very low | 148 Ų | 148 | 156.5 Ų | 156.5 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 81.1 | 174.2 | -78.4 | -13.1 | 0 | 0 | 0 | 109.3 | V3 C7 | V3-N5 PolarHBondContact O-N 2.92Å; N5-C7 VanDerWaalsContact C-N 3.35Å; N5-C7 PolarHBondContact O-N 3.07Å | ||
| 6 | S | 40.9 | Very low | 39.5 | Very low | 87 Ų | 87 | 153.4 Ų | 153.4 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | -70.6 | 94.2 | 165.8 | -59 | 0 | 0 | 0 | 0 | 107.7 | R4 T8 | R4-S6 PolarHBondContact O-N 3.35Å; S6-T8 PolarHBondContact O-N 3.46Å | ||
| 7 | C | 38.6 | Very low | 39.2 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 77.6 | 171.1 | -142.9 | 0 | 0 | 0 | 0 | 107.8 | N5 I9 | N5-C7 VanDerWaalsContact C-N 3.35Å; N5-C7 PolarHBondContact O-N 3.07Å; C7-I9 PolarHBondContact O-N 3.02Å | ||
| 8 | T | 43.6 | Very low | 38.8 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 101.2 | 171.1 | 26.4 | 0 | 0 | 0 | 0 | 108.2 | S6 F10 | S6-T8 PolarHBondContact O-N 3.46Å; T8-F10 PolarHBondContact O-N 3.28Å | ||
| 9 | I | 43.8 | Very low | 38.5 | Very low | 141 Ų | 141 | 153.2 Ų | 153.2 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | -46.4 | 102.4 | 171 | -69.4 | 161.7 | 0 | 0 | 0 | 109.3 | C7 L11 | C7-I9 PolarHBondContact O-N 3.02Å; I9-L11 HydrophobicContact CG2-CB 3.74Å; I9-L11 HydrophobicContact CG2-CD1 3.9Å; I9-L11 HydrophobicContact CG2-CG 4.47Å; I9-L11 PolarHBondContact O-N 2.92Å; I9-L11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | F | 42.9 | Very low | 37.9 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -80.9 | 69.5 | 171.4 | -123.5 | -91.6 | 0 | 0 | 0 | 108 | T8 | T8-F10 PolarHBondContact O-N 3.28Š| ||
| 11 | L | 37.9 | Very low | 37.6 | Very low | 141 Ų | 141 | 150 Ų | 150 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -124.4 | 103.2 | 172.8 | -115.2 | 117.5 | 0 | 0 | 0 | 105.2 | I9 | I9-L11 HydrophobicContact CG2-CB 3.74Å; I9-L11 HydrophobicContact CG2-CD1 3.9Å; I9-L11 HydrophobicContact CG2-CG 4.47Å; I9-L11 PolarHBondContact O-N 2.92Å; I9-L11 VanDerWaalsContact O-N 3.08Å | ||
| 12 | L | 38.9 | Very low | 37.3 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | 161.5 | 50.7 | 156.8 | -88.4 | 154.3 | 0 | 0 | 0 | 112.5 | ||||
| 13 | L | 40.7 | Very low | 37.2 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -138.8 | 45.7 | 160.1 | -81.1 | 171.8 | 0 | 0 | 0 | 110.4 | L15 | L13-L15 HydrophobicContact CD2-CD1 3.8Å; L13-L15 HydrophobicContact CD2-CG 4.39Å; L13-L15 PolarHBondContact O-N 3.06Å | ||
| 14 | L | 36.8 | Very low | 37 | Very low | 175 Ų | 175 | 142 Ų | 142 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | trans | -85.7 | 59.1 | 153 | -74.8 | 164.4 | 0 | 0 | 0 | 107.3 | P16 | L14-P16 WeakPolarHBondContact O-CD 2.92Š| ||
| 15 | L | 36.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 120.9 | 160.9 | -83 | 164.4 | 0 | 0 | 0 | 105.1 | L13 F17 | L13-L15 HydrophobicContact CD2-CD1 3.8Å; L13-L15 HydrophobicContact CD2-CG 4.39Å; L13-L15 PolarHBondContact O-N 3.06Å; L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 PolarHBondContact O-N 3.32Å | ||
| 16 | P | 35.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | trans | -60.5 | 104.6 | 171.1 | 26.2 | -30.1 | 0 | 0 | 0 | 105 | L14 S18 | L14-P16 WeakPolarHBondContact O-CD 2.92Å; P16-S18 PolarHBondContact O-N 2.93Å | ||
| 17 | F | 34.2 | Very low | 36.8 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -58.9 | 88.2 | 159.3 | -99.3 | -91.9 | 0 | 0 | 0 | 104.6 | L15 Y19 | L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 PolarHBondContact O-N 3.32Å; F17-Y19 HydrophobicContact CB-CD2 3.91Å; F17-Y19 HydrophobicContact CB-CE2 4.09Å; F17-Y19 HydrophobicContact CD1-CD2 4.31Å; F17-Y19 HydrophobicContact CD1-CE2 4.01Å; F17-Y19 HydrophobicContact CG-CE2 4.31Å; F17-Y19 PolarHBondContact O-N 3.47Å | ||
| 18 | S | 31.5 | Very low | 37.1 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | -64.1 | 85.7 | 157 | -54.9 | 0 | 0 | 0 | 0 | 102.3 | P16 T20 | P16-S18 PolarHBondContact O-N 2.93Å; S18-T20 PolarHBondContact O-N 3.17Å | ||
| 19 | Y | 32.9 | Very low | 38 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | -61.8 | 83.7 | 161.2 | -94.1 | -89 | 0 | 0 | 0 | 104.4 | F17 Y21 | F17-Y19 HydrophobicContact CB-CD2 3.91Å; F17-Y19 HydrophobicContact CB-CE2 4.09Å; F17-Y19 HydrophobicContact CD1-CD2 4.31Å; F17-Y19 HydrophobicContact CD1-CE2 4.01Å; F17-Y19 HydrophobicContact CG-CE2 4.31Å; F17-Y19 PolarHBondContact O-N 3.47Å; Y19-Y21 PolarHBondContact O-N 2.73Å | ||
| 20 | T | 27.5 | Very low | 39.2 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 73% | 0.73 | 64% | 0.641 | S | S | * | * | trans | -61.5 | 92.2 | 151.6 | 44.3 | 0 | 0 | 0 | 0 | 103.4 | S18 Q22 | S18-T20 PolarHBondContact O-N 3.17Å; T20-Q22 VanDerWaalsContact C-N 3.31Å; T20-Q22 PolarHBondContact O-N 3.37Å | ||
| 21 | Y | 32.2 | Very low | 40.6 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 48% | 0.475 | 61% | 0.606 | S | S | . | * | trans | -59 | 102.9 | 174.2 | -174.4 | -94.5 | 0 | 0 | 0 | 106.2 | Y19 | Y19-Y21 PolarHBondContact O-N 2.73Š| ||
| 22 | Q | 30.8 | Very low | 42.8 | Very low | 179 Ų | 179 | 115.8 Ų | 115.8 | 84% | 0.836 | 59% | 0.592 | S | S | * | * | trans | -87.5 | 112.3 | 178.9 | -153.4 | 171.8 | -2 | 0 | 0 | 104.8 | T20 S24 | T20-Q22 VanDerWaalsContact C-N 3.31Å; T20-Q22 PolarHBondContact O-N 3.37Å; Q22-S24 PolarHBondContact O-N 3.17Å | ||
| 23 | W | 33.2 | Very low | 45 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | trans | -47.7 | 130.7 | -177.9 | -67.8 | 85 | 0 | 0 | 0 | 110.2 | E27 D51 | W23-E27 HydrophobicContact CE3-CG 4.43Å; W23-D51 HydrophobicContact CH2-CB 3.81Å; W23-D51 HydrophobicContact CZ2-CB 3.97Å | ||
| 24 | S | 36.1 | Very low | 47.2 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | trans | -71.3 | 134.2 | 163.4 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | Q22 S26 E27 | Q22-S24 PolarHBondContact O-N 3.17Å; S24-S26 CarbonylContact O-C 3.16Å; S24-S26 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact OG-O 2.98Å; S24-S26 PolarHBondContact OG-OG 3.02Å; S24-E27 PolarHBondContact O-N 2.57Å | ||
| 25 | D | 38.6 | Very low | 49.7 | Very low | 156 Ų | 156 | 94.3 Ų | 94.3 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -55.6 | -8.5 | 177.7 | -62.9 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 26 | S | 37.9 | Very low | 52.2 | Low | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -88.4 | 88.7 | 158.3 | 61 | 0 | 0 | 0 | 0 | 108.6 | S24 E28 | S24-S26 CarbonylContact O-C 3.16Å; S24-S26 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact OG-O 2.98Å; S24-S26 PolarHBondContact OG-OG 3.02Å; S26-E28 PolarHBondContact O-N 2.9Å; S26-E28 VanDerWaalsContact O-N 3.11Å |
| 27 | E | 42.5 | Very low | 54.6 | Low | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | trans | -62.7 | 114.2 | 170 | -71.1 | -174.3 | 165 | 0 | 0 | 107.8 | W23 S24 Y29 | W23-E27 HydrophobicContact CE3-CG 4.43Å; S24-E27 PolarHBondContact O-N 2.57Å; E27-Y29 PolarHBondContact O-N 3.17Å | ||
| 28 | E | 46.2 | Very low | 57.2 | Low | 141 Ų | 141 | 87.7 Ų | 87.7 | 66% | 0.659 | 44% | 0.444 | S | S | * | . | trans | -60.2 | 97.6 | 162.9 | -85 | -175.4 | 160.1 | 0 | 0 | 106.9 | S26 C30 | S26-E28 PolarHBondContact O-N 2.9Å; S26-E28 VanDerWaalsContact O-N 3.11Å; E28-C30 PolarHBondContact O-N 3.38Å | ||
| 29 | Y | 62.8 | Low | 59.9 | Low | 30 Ų | 30 | 86.3 Ų | 86.3 | 12% | 0.118 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -58.6 | -23.7 | -173.2 | -172.5 | -105.1 | 0 | 0 | 0 | 112.8 | E27 C154 A155 C158 C177 | E27-Y29 PolarHBondContact O-N 3.17Å; Y29-C154 HydrophobicContact CD1-CB 3.83Å; Y29-C154 HydrophobicContact CE1-CB 3.65Å; Y29-C154 CarbonylContact O-C 3.45Å; Y29-C154 WeakPolarHBondContact O-CA 3.02Å; Y29-A155 HydrophobicContact CD2-CB 4.01Å; Y29-A155 HydrophobicContact CE1-CB 4.42Å; Y29-A155 HydrophobicContact CE2-CB 3.26Å; Y29-A155 VanDerWaalsContact CZ-O 3.25Å; Y29-A155 PolarHBondContact O-N 2.94Å; Y29-A155 VanDerWaalsContact O-N 3.13Å; Y29-A155 PolarHBondContact OH-O 3.08Å; Y29-C158 HydrophobicContact CD2-CB 4.03Å; Y29-C158 HydrophobicContact CE1-CB 4.31Å; Y29-C158 VanDerWaalsContact CE1-SG 3.59Å; Y29-C158 HydrophobicContact CE2-CB 3.22Å; Y29-C158 VanDerWaalsContact CZ-CB 3.4Å; Y29-C158 WeakPolarHBondContact OH-CB 3.13Å; Y29-C158 PolarHBondContact OH-N 2.87Å; Y29-C158 PolarHBondContact OH-SG 2.71Å; Y29-C177 HydrophobicContact CD1-CB 4.25Å |
| 30 | C | 69 | Low | 62.4 | Low | 24 Ų | 24 | 77.3 Ų | 77.3 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.4 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | E28 V153 C154 C177 | E28-C30 PolarHBondContact O-N 3.38Å; C30-V153 CarbonylContact C-O 3.51Å; C30-V153 WeakPolarHBondContact CA-O 3.31Å; C30-V153 WeakPolarHBondContact CB-O 3.07Å; C30-C154 HydrophobicContact CB-CB 4.14Å; C30-C154 WeakPolarHBondContact CB-SG 3.38Å; C30-C154 WeakPolarHBondContact SG-CB 3.22Å; C30-C154 CovalentContact SG-SG 2.03Å; C30-C154 PolarHBondContact SG-SG 3.3Å; C30-C177 WeakPolarHBondContact SG-CB 3.13Å; C30-C177 PolarHBondContact SG-SG 2.99Å |
| 31 | R | 72.2 | Confident | 65.3 | Low | 46 Ų | 46 | 76.4 Ų | 76.4 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.3 | 179.3 | -174.2 | 165.6 | -84.9 | 177.1 | -1.9 | 110.1 | Y33 D51 T152 V153 | R31-Y33 HydrophobicContact CB-CE2 3.86Å; R31-Y33 HydrophobicContact CG-CD1 4.5Å; R31-Y33 HydrophobicContact CG-CE1 3.99Å; R31-Y33 HydrophobicContact CG-CE2 4.02Å; R31-D51 WeakPolarHBondContact CD-OD2 3.03Å; R31-D51 IonicContact CZ-OD2 3.67Å; R31-D51 IonicContact NE-OD2 3.8Å; R31-D51 VanDerWaalsContact NH1-CB 3.3Å; R31-D51 VanDerWaalsContact NH1-CG 3.28Å; R31-D51 IonicContact NH1-OD2 2.77Å; R31-D51 PolarHBondContact NH1-OD2 3.08Å; R31-T152 WeakPolarHBondContact O-CA 3.19Å; R31-V153 PolarHBondContact N-O 2.81Å; R31-V153 PolarHBondContact O-N 2.68Å |
| 32 | S | 82.7 | Confident | 68 | Low | 64 Ų | 64 | 78.5 Ų | 78.5 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.4 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 109.3 | N150 F151 T152 | S32-N150 VanDerWaalsContact CB-OD1 3.32Å; S32-N150 WeakPolarHBondContact CB-OD1 3.26Å; S32-F151 CarbonylContact C-O 3.57Å; S32-F151 WeakPolarHBondContact CA-O 3.15Å; S32-T152 PolarHBondContact OG-OG1 2.73Å |
| 33 | Y | 86 | Confident | 70.7 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 98.1 | 177.9 | -60.4 | -81.4 | 0 | 0 | 0 | 108.6 | R31 F49 D51 A53 L68 F70 N150 F151 V153 | R31-Y33 HydrophobicContact CB-CE2 3.86Å; R31-Y33 HydrophobicContact CG-CD1 4.5Å; R31-Y33 HydrophobicContact CG-CE1 3.99Å; R31-Y33 HydrophobicContact CG-CE2 4.02Å; Y33-F49 HydrophobicContact CD1-CB 4.12Å; Y33-F49 AromaticContact CD1-CD1 3.95Å; Y33-F49 HydrophobicContact CD1-CD1 3.95Å; Y33-F49 AromaticContact CD1-CD2 3.53Å; Y33-F49 HydrophobicContact CD1-CD2 3.53Å; Y33-F49 HydrophobicContact CD1-CE1 4.21Å; Y33-F49 AromaticContact CD1-CE2 3.81Å; Y33-F49 HydrophobicContact CD1-CE2 3.81Å; Y33-F49 AromaticContact CD1-CG 3.6Å; Y33-F49 HydrophobicContact CD1-CG 3.6Å; Y33-F49 HydrophobicContact CD1-CZ 4.15Å; Y33-F49 HydrophobicContact CE1-CB 4.04Å; Y33-F49 HydrophobicContact CE1-CD2 4.16Å; Y33-F49 HydrophobicContact CE1-CG 4.04Å; Y33-F49 HydrophobicContact CG-CD2 4.49Å; Y33-F49 HydrophobicContact CG-CE2 4.38Å; Y33-D51 VanDerWaalsContact CE1-OD2 3.24Å; Y33-D51 WeakPolarHBondContact CE1-OD2 3.06Å; Y33-D51 VanDerWaalsContact CZ-OD2 3.25Å; Y33-D51 PolarHBondContact OH-OD2 2.98Å; Y33-A53 HydrophobicContact CD1-CB 4.04Å; Y33-A53 HydrophobicContact CE1-CB 3.48Å; Y33-A53 VanDerWaalsContact CE1-CB 3.48Å; Y33-L68 HydrophobicContact CG-CD1 4.49Å; Y33-L68 HydrophobicContact CG-CD2 4.46Å; Y33-F70 AromaticContact CD2-CE1 3.72Å; Y33-F70 HydrophobicContact CD2-CE1 3.72Å; Y33-F70 HydrophobicContact CD2-CZ 4.48Å; Y33-F70 HydrophobicContact CE2-CD1 4.19Å; Y33-F70 AromaticContact CE2-CE1 3.6Å; Y33-F70 HydrophobicContact CE2-CE1 3.6Å; Y33-F70 HydrophobicContact CG-CE1 4.4Å; Y33-N150 PolarHBondContact N-OD1 3.06Å; Y33-N150 WeakPolarHBondContact O-CA 3.29Å; Y33-F151 PolarHBondContact N-O 2.81Å; Y33-F151 PolarHBondContact O-N 2.89Å; Y33-V153 HydrophobicContact CD2-CG2 3.91Å; Y33-V153 HydrophobicContact CE2-CG2 3.43Å; Y33-V153 VanDerWaalsContact CE2-CG2 3.43Å |
| 34 | G | 85.6 | Confident | 73.3 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I149 | G34-I149 CarbonylContact C-O 3.46Å; G34-I149 WeakPolarHBondContact CA-O 3.44Å |
| 35 | A | 89.4 | Confident | 75.7 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D39 F40 I47 L55 I149 | A35-D39 HydrophobicContact CB-CB 4.37Å; A35-F40 HydrophobicContact CB-CD2 4.26Å; A35-F40 HydrophobicContact CB-CE2 3.73Å; A35-F40 HydrophobicContact CB-CZ 4.32Å; A35-I47 HydrophobicContact CB-CD1 3.46Å; A35-I47 VanDerWaalsContact CB-CD1 3.46Å; A35-L55 HydrophobicContact CB-CD2 3.66Å; A35-I149 HydrophobicContact CB-CG1 4.23Å; A35-I149 PolarHBondContact N-O 2.78Å; A35-I149 VanDerWaalsContact O-CG1 3.31Å; A35-I149 WeakPolarHBondContact O-CG1 3.17Å; A35-I149 PolarHBondContact O-N 3.11Å |
| 36 | R | 89.6 | Confident | 78.3 | Confident | 157 Ų | 157 | 73.9 Ų | 73.9 | 59% | 0.592 | 36% | 0.357 | S | S | * | . | trans | -106.9 | 167 | 167 | -58.2 | -172.2 | 176.1 | 174.1 | -1.7 | 110.3 | D38 D39 F40 L147 L148 | R36-D38 VanDerWaalsContact C-N 3.26Å; R36-D38 PolarHBondContact O-N 2.98Å; R36-D39 PolarHBondContact N-OD2 2.93Å; R36-D39 WeakPolarHBondContact O-CB 3.14Å; R36-D39 PolarHBondContact O-N 2.89Å; R36-F40 WeakPolarHBondContact O-CD2 3.28Å; R36-F40 PolarHBondContact O-N 2.87Å; R36-L147 WeakPolarHBondContact CG-O 3.48Å; R36-L148 HydrophobicContact CG-CD1 4.45Å | ||
| 37 | G | 85.3 | Confident | 80.8 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -50 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | D39 F40 L41 H143 I146 | G37-D39 PolarHBondContact O-N 3.25Å; G37-F40 WeakPolarHBondContact O-CB 3.03Å; G37-F40 PolarHBondContact O-N 3.35Å; G37-F40 VanDerWaalsContact O-N 3.11Å; G37-L41 PolarHBondContact O-N 2.8Å; G37-H143 WeakPolarHBondContact CA-O 3.07Å; G37-I146 VanDerWaalsContact CA-O 3.26Å; G37-I146 WeakPolarHBondContact CA-O 3.1Å; G37-I146 PolarHBondContact N-O 2.93Å |
| 38 | D | 89.5 | Confident | 83.2 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.3 | -31.1 | 179 | -67.3 | -19.5 | 0 | 0 | 0 | 113 | R36 L41 K42 | R36-D38 VanDerWaalsContact C-N 3.26Å; R36-D38 PolarHBondContact O-N 2.98Å; D38-L41 PolarHBondContact O-N 2.96Å; D38-K42 WeakPolarHBondContact O-CB 3.39Å; D38-K42 VanDerWaalsContact O-CG 3.26Å; D38-K42 WeakPolarHBondContact O-CG 3.49Å; D38-K42 PolarHBondContact O-N 3.02Å |
| 39 | D | 88.7 | Confident | 85.1 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 177.5 | -55.8 | -42.1 | 0 | 0 | 0 | 110.5 | A35 R36 G37 S43 I47 | A35-D39 HydrophobicContact CB-CB 4.37Å; R36-D39 PolarHBondContact N-OD2 2.93Å; R36-D39 WeakPolarHBondContact O-CB 3.14Å; R36-D39 PolarHBondContact O-N 2.89Å; G37-D39 PolarHBondContact O-N 3.25Å; D39-S43 WeakPolarHBondContact O-CB 3.26Å; D39-S43 PolarHBondContact O-N 2.77Å; D39-S43 PolarHBondContact O-OG 2.86Å; D39-I47 HydrophobicContact CB-CD1 3.83Å |
| 40 | F | 84.9 | Confident | 86 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 171.7 | -76.4 | -79 | 0 | 0 | 0 | 111.9 | A35 R36 G37 K42 S43 R44 G45 I47 L55 L66 H143 I146 I149 | A35-F40 HydrophobicContact CB-CD2 4.26Å; A35-F40 HydrophobicContact CB-CE2 3.73Å; A35-F40 HydrophobicContact CB-CZ 4.32Å; R36-F40 WeakPolarHBondContact O-CD2 3.28Å; R36-F40 PolarHBondContact O-N 2.87Å; G37-F40 WeakPolarHBondContact O-CB 3.03Å; G37-F40 PolarHBondContact O-N 3.35Å; G37-F40 VanDerWaalsContact O-N 3.11Å; F40-K42 PolarHBondContact O-N 2.83Å; F40-S43 WeakPolarHBondContact CA-OG 3.32Å; F40-S43 CarbonylContact O-C 3.45Å; F40-S43 PolarHBondContact O-N 2.76Å; F40-S43 PolarHBondContact O-OG 2.81Å; F40-R44 PolarHBondContact O-N 2.8Å; F40-R44 VanDerWaalsContact O-N 3.08Å; F40-G45 PolarHBondContact O-N 3Å; F40-I47 HydrophobicContact CD1-CD1 4.36Å; F40-I47 HydrophobicContact CD2-CD1 4.49Å; F40-I47 HydrophobicContact CE1-CD1 4.4Å; F40-I47 HydrophobicContact CG-CD1 4.44Å; F40-L55 HydrophobicContact CE1-CD1 4.43Å; F40-L55 HydrophobicContact CE1-CD2 4.23Å; F40-L55 HydrophobicContact CE1-CG 3.77Å; F40-L55 HydrophobicContact CE2-CD2 4.17Å; F40-L55 HydrophobicContact CZ-CD1 3.93Å; F40-L55 HydrophobicContact CZ-CD2 3.51Å; F40-L55 HydrophobicContact CZ-CG 3.43Å; F40-L55 VanDerWaalsContact CZ-CG 3.43Å; F40-L66 HydrophobicContact CD1-CD2 4.43Å; F40-L66 HydrophobicContact CE1-CD2 3.81Å; F40-L66 HydrophobicContact CE2-CD1 4.22Å; F40-L66 HydrophobicContact CE2-CD2 4.4Å; F40-L66 HydrophobicContact CZ-CD1 3.98Å; F40-L66 HydrophobicContact CZ-CD2 3.76Å; F40-L66 HydrophobicContact CZ-CG 4.41Å; F40-H143 HydrophobicContact CB-CB 4.21Å; F40-I146 HydrophobicContact CD2-CD1 3.91Å; F40-I146 HydrophobicContact CE2-CD1 3.93Å; F40-I146 HydrophobicContact CE2-CG2 4.47Å; F40-I149 HydrophobicContact CE2-CD1 3.84Å; F40-I149 HydrophobicContact CE2-CG1 4.34Å; F40-I149 HydrophobicContact CZ-CD1 3.88Å |
| 41 | L | 87.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 178.9 | -176 | 61.5 | 0 | 0 | 0 | 111.2 | G37 D38 S43 R44 | G37-L41 PolarHBondContact O-N 2.8Å; D38-L41 PolarHBondContact O-N 2.96Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 2.86Å; L41-R44 PolarHBondContact O-N 2.91Å |
| 42 | K | 90 | Very high | 86.6 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.5 | -37.1 | 177.7 | -71.5 | 168.9 | -172.7 | 169 | 0 | 112.8 | D38 F40 R44 | D38-K42 WeakPolarHBondContact O-CB 3.39Å; D38-K42 VanDerWaalsContact O-CG 3.26Å; D38-K42 WeakPolarHBondContact O-CG 3.49Å; D38-K42 PolarHBondContact O-N 3.02Å; F40-K42 PolarHBondContact O-N 2.83Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.33Å |
| 43 | S | 88.1 | Confident | 86.8 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.3 | -176.6 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | D39 F40 L41 G45 R46 I47 | D39-S43 WeakPolarHBondContact O-CB 3.26Å; D39-S43 PolarHBondContact O-N 2.77Å; D39-S43 PolarHBondContact O-OG 2.86Å; F40-S43 WeakPolarHBondContact CA-OG 3.32Å; F40-S43 CarbonylContact O-C 3.45Å; F40-S43 PolarHBondContact O-N 2.76Å; F40-S43 PolarHBondContact O-OG 2.81Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 2.86Å; S43-G45 PolarHBondContact O-N 3.26Å; S43-R46 VanDerWaalsContact CB-O 3.22Å; S43-R46 WeakPolarHBondContact CB-O 3.43Å; S43-R46 PolarHBondContact O-N 2.82Å; S43-R46 PolarHBondContact OG-N 3.39Å; S43-R46 PolarHBondContact OG-O 2.8Å; S43-I47 VanDerWaalsContact OG-CG1 3.28Å; S43-I47 WeakPolarHBondContact OG-CG1 3.4Å |
| 44 | R | 87.1 | Confident | 87 | Confident | 240 Ų | 240 | 70.5 Ų | 70.5 | 91% | 0.906 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.6 | -176.5 | -57.7 | -176.4 | 179.5 | -175.9 | -0.2 | 112.7 | F40 L41 K42 | F40-R44 PolarHBondContact O-N 2.8Å; F40-R44 VanDerWaalsContact O-N 3.08Å; L41-R44 PolarHBondContact O-N 2.91Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.33Å |
| 45 | G | 86.7 | Confident | 87.3 | Confident | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 11.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F40 S43 E56 Q57 | F40-G45 PolarHBondContact O-N 3Å; S43-G45 PolarHBondContact O-N 3.26Å; G45-E56 CarbonylContact O-C 3.57Å; G45-E56 VanDerWaalsContact O-CA 3.23Å; G45-E56 WeakPolarHBondContact O-CA 3.45Å; G45-Q57 PolarHBondContact O-N 3.27Å |
| 46 | R | 92.2 | Very high | 87.3 | Confident | 144 Ų | 144 | 69.6 Ų | 69.6 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 115.3 | 178.7 | -178.8 | -175.1 | -70.9 | 166.2 | 0.7 | 112.7 | S43 E56 | S43-R46 VanDerWaalsContact CB-O 3.22Å; S43-R46 WeakPolarHBondContact CB-O 3.43Å; S43-R46 PolarHBondContact O-N 2.82Å; S43-R46 PolarHBondContact OG-N 3.39Å; S43-R46 PolarHBondContact OG-O 2.8Å; R46-E56 HydrophobicContact CB-CB 4.42Å; R46-E56 HydrophobicContact CG-CB 4.3Å; R46-E56 IonicContact NE-OE2 3.59Å; R46-E56 IonicContact NH2-OE2 2.77Å |
| 47 | I | 92.1 | Very high | 87.2 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.6 | 175.3 | -56.1 | 171.4 | 0 | 0 | 0 | 108.5 | A35 D39 F40 S43 F49 R54 L55 | A35-I47 HydrophobicContact CB-CD1 3.46Å; A35-I47 VanDerWaalsContact CB-CD1 3.46Å; D39-I47 HydrophobicContact CB-CD1 3.83Å; F40-I47 HydrophobicContact CD1-CD1 4.36Å; F40-I47 HydrophobicContact CD2-CD1 4.49Å; F40-I47 HydrophobicContact CE1-CD1 4.4Å; F40-I47 HydrophobicContact CG-CD1 4.44Å; S43-I47 VanDerWaalsContact OG-CG1 3.28Å; S43-I47 WeakPolarHBondContact OG-CG1 3.4Å; I47-F49 HydrophobicContact CG2-CE1 4.16Å; I47-F49 HydrophobicContact CG2-CE2 4.27Å; I47-F49 HydrophobicContact CG2-CZ 4Å; I47-R54 WeakPolarHBondContact O-CA 3.42Å; I47-L55 HydrophobicContact CB-CB 4.39Å; I47-L55 HydrophobicContact CD1-CD2 4.41Å; I47-L55 PolarHBondContact N-O 2.99Å; I47-L55 PolarHBondContact O-N 3.02Å |
| 48 | T | 91.7 | Very high | 87.3 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.6 | 171.4 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | R54 | T48-R54 HydrophobicContact CG2-CG 4.23Å |
| 49 | F | 87 | Confident | 87 | Confident | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | trans | -86.1 | 161.3 | 177.9 | -62.7 | -82.5 | 0 | 0 | 0 | 111.3 | Y33 I47 D51 G52 A53 L55 L68 | Y33-F49 HydrophobicContact CD1-CB 4.12Å; Y33-F49 AromaticContact CD1-CD1 3.95Å; Y33-F49 HydrophobicContact CD1-CD1 3.95Å; Y33-F49 AromaticContact CD1-CD2 3.53Å; Y33-F49 HydrophobicContact CD1-CD2 3.53Å; Y33-F49 HydrophobicContact CD1-CE1 4.21Å; Y33-F49 AromaticContact CD1-CE2 3.81Å; Y33-F49 HydrophobicContact CD1-CE2 3.81Å; Y33-F49 AromaticContact CD1-CG 3.6Å; Y33-F49 HydrophobicContact CD1-CG 3.6Å; Y33-F49 HydrophobicContact CD1-CZ 4.15Å; Y33-F49 HydrophobicContact CE1-CB 4.04Å; Y33-F49 HydrophobicContact CE1-CD2 4.16Å; Y33-F49 HydrophobicContact CE1-CG 4.04Å; Y33-F49 HydrophobicContact CG-CD2 4.49Å; Y33-F49 HydrophobicContact CG-CE2 4.38Å; I47-F49 HydrophobicContact CG2-CE1 4.16Å; I47-F49 HydrophobicContact CG2-CE2 4.27Å; I47-F49 HydrophobicContact CG2-CZ 4Å; F49-D51 WeakPolarHBondContact CB-OD1 3.46Å; F49-D51 PolarHBondContact O-N 3.02Å; F49-G52 PolarHBondContact O-N 2.83Å; F49-A53 HydrophobicContact CB-CB 4.33Å; F49-A53 HydrophobicContact CD2-CB 4.13Å; F49-A53 WeakPolarHBondContact CD2-O 3.5Å; F49-A53 PolarHBondContact N-O 2.68Å; F49-L55 HydrophobicContact CE2-CB 3.69Å; F49-L55 HydrophobicContact CE2-CD2 4.39Å; F49-L55 HydrophobicContact CZ-CB 4.29Å; F49-L55 HydrophobicContact CZ-CD2 4.21Å; F49-L68 HydrophobicContact CE2-CD1 4.24Å | ||
| 50 | P | 80.5 | Confident | 86.3 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.5 | -175.2 | -27.9 | 36.6 | 0 | 0 | 0 | 115.5 | G52 | P50-G52 VanDerWaalsContact C-N 3.27Å; P50-G52 PolarHBondContact O-N 2.83Å |
| 51 | D | 72.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.064 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.3 | 175.6 | 49.6 | 20.5 | 0 | 0 | 0 | 114.3 | W23 R31 Y33 F49 A53 N71 | W23-D51 HydrophobicContact CH2-CB 3.81Å; W23-D51 HydrophobicContact CZ2-CB 3.97Å; R31-D51 WeakPolarHBondContact CD-OD2 3.03Å; R31-D51 IonicContact CZ-OD2 3.67Å; R31-D51 IonicContact NE-OD2 3.8Å; R31-D51 VanDerWaalsContact NH1-CB 3.3Å; R31-D51 VanDerWaalsContact NH1-CG 3.28Å; R31-D51 IonicContact NH1-OD2 2.77Å; R31-D51 PolarHBondContact NH1-OD2 3.08Å; Y33-D51 VanDerWaalsContact CE1-OD2 3.24Å; Y33-D51 WeakPolarHBondContact CE1-OD2 3.06Å; Y33-D51 VanDerWaalsContact CZ-OD2 3.25Å; Y33-D51 PolarHBondContact OH-OD2 2.98Å; F49-D51 WeakPolarHBondContact CB-OD1 3.46Å; F49-D51 PolarHBondContact O-N 3.02Å; D51-A53 VanDerWaalsContact OD1-CB 3.26Å; D51-A53 WeakPolarHBondContact OD1-CB 3.42Å; D51-A53 PolarHBondContact OD1-N 3.11Å; D51-N71 PolarHBondContact O-ND2 3.07Å |
| 52 | G | 82.2 | Confident | 85.4 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 89.8 | -0.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F49 P50 | F49-G52 PolarHBondContact O-N 2.83Å; P50-G52 VanDerWaalsContact C-N 3.27Å; P50-G52 PolarHBondContact O-N 2.83Å |
| 53 | A | 86.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -60.4 | 147.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y33 F49 D51 R69 F70 | Y33-A53 HydrophobicContact CD1-CB 4.04Å; Y33-A53 HydrophobicContact CE1-CB 3.48Å; Y33-A53 VanDerWaalsContact CE1-CB 3.48Å; F49-A53 HydrophobicContact CB-CB 4.33Å; F49-A53 HydrophobicContact CD2-CB 4.13Å; F49-A53 WeakPolarHBondContact CD2-O 3.5Å; F49-A53 PolarHBondContact N-O 2.68Å; D51-A53 VanDerWaalsContact OD1-CB 3.26Å; D51-A53 WeakPolarHBondContact OD1-CB 3.42Å; D51-A53 PolarHBondContact OD1-N 3.11Å; A53-R69 CarbonylContact C-O 3.58Å; A53-R69 VanDerWaalsContact CA-O 3.29Å; A53-R69 WeakPolarHBondContact CA-O 3.49Å; A53-F70 HydrophobicContact CB-CD1 4.11Å | ||
| 54 | R | 91 | Very high | 84.4 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 124.6 | -174.1 | -66.3 | -179.1 | -173.1 | 175.5 | 2 | 111.1 | I47 T48 L68 R69 | I47-R54 WeakPolarHBondContact O-CA 3.42Å; T48-R54 HydrophobicContact CG2-CG 4.23Å; R54-L68 CarbonylContact O-C 3.57Å; R54-L68 WeakPolarHBondContact O-CA 3.49Å; R54-R69 PolarHBondContact N-O 3.47Å; R54-R69 PolarHBondContact O-N 2.73Å |
| 55 | L | 90.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.7 | 172.6 | 176.2 | 62.5 | 0 | 0 | 0 | 108.8 | A35 F40 I47 F49 L66 R67 L68 I149 | A35-L55 HydrophobicContact CB-CD2 3.66Å; F40-L55 HydrophobicContact CE1-CD1 4.43Å; F40-L55 HydrophobicContact CE1-CD2 4.23Å; F40-L55 HydrophobicContact CE1-CG 3.77Å; F40-L55 HydrophobicContact CE2-CD2 4.17Å; F40-L55 HydrophobicContact CZ-CD1 3.93Å; F40-L55 HydrophobicContact CZ-CD2 3.51Å; F40-L55 HydrophobicContact CZ-CG 3.43Å; F40-L55 VanDerWaalsContact CZ-CG 3.43Å; I47-L55 HydrophobicContact CB-CB 4.39Å; I47-L55 HydrophobicContact CD1-CD2 4.41Å; I47-L55 PolarHBondContact N-O 2.99Å; I47-L55 PolarHBondContact O-N 3.02Å; F49-L55 HydrophobicContact CE2-CB 3.69Å; F49-L55 HydrophobicContact CE2-CD2 4.39Å; F49-L55 HydrophobicContact CZ-CB 4.29Å; F49-L55 HydrophobicContact CZ-CD2 4.21Å; L55-L66 HydrophobicContact CD1-CB 4.48Å; L55-R67 CarbonylContact C-O 3.46Å; L55-R67 WeakPolarHBondContact CA-O 2.97Å; L55-L68 HydrophobicContact CB-CD1 3.97Å; L55-L68 HydrophobicContact CD1-CB 4.04Å; L55-L68 HydrophobicContact CD1-CD1 4.46Å; L55-I149 HydrophobicContact CD1-CD1 3.93Å; L55-I149 HydrophobicContact CD2-CD1 3.64Å; L55-I149 HydrophobicContact CD2-CG1 4.49Å; L55-I149 HydrophobicContact CG-CD1 4.32Å |
| 56 | E | 90.3 | Very high | 84.2 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.2 | -174 | 60 | -175.8 | 170.1 | 0 | 0 | 112.5 | G45 R46 V58 L66 R67 R69 | G45-E56 CarbonylContact O-C 3.57Å; G45-E56 VanDerWaalsContact O-CA 3.23Å; G45-E56 WeakPolarHBondContact O-CA 3.45Å; R46-E56 HydrophobicContact CB-CB 4.42Å; R46-E56 HydrophobicContact CG-CB 4.3Å; R46-E56 IonicContact NE-OE2 3.59Å; R46-E56 IonicContact NH2-OE2 2.77Å; E56-V58 HydrophobicContact CG-CG2 3.82Å; E56-L66 CarbonylContact O-C 3.45Å; E56-L66 WeakPolarHBondContact O-CA 3.26Å; E56-R67 HydrophobicContact CG-CB 4.01Å; E56-R67 HydrophobicContact CG-CG 4.47Å; E56-R67 PolarHBondContact N-O 2.98Å; E56-R67 PolarHBondContact O-N 3.26Å; E56-R67 IonicContact OE1-CZ 3.13Å; E56-R67 IonicContact OE1-NE 2.77Å; E56-R67 PolarHBondContact OE1-NE 2.83Å; E56-R67 IonicContact OE1-NH2 2.67Å; E56-R67 PolarHBondContact OE1-NH2 2.75Å; E56-R67 IonicContact OE2-NH2 3.97Å; E56-R69 IonicContact OE1-NH1 2.69Å |
| 57 | Q | 88 | Confident | 84 | Confident | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.9 | 166.6 | -171.3 | 178.2 | 39.6 | 0 | 0 | 108.4 | G45 L65 L66 L141 | G45-Q57 PolarHBondContact O-N 3.27Å; Q57-L65 CarbonylContact C-O 3.54Å; Q57-L65 WeakPolarHBondContact CA-O 3.48Å; Q57-L66 HydrophobicContact CB-CD2 3.95Å; Q57-L66 HydrophobicContact CG-CD2 4.14Å; Q57-L141 PolarHBondContact NE2-O 2.89Å |
| 58 | V | 85.9 | Confident | 83.9 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.6 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | E56 R64 L65 R67 | E56-V58 HydrophobicContact CG-CG2 3.82Å; V58-R64 WeakPolarHBondContact O-CA 3.39Å; V58-L65 HydrophobicContact CB-CD1 3.78Å; V58-L65 HydrophobicContact CB-CG 4.08Å; V58-L65 HydrophobicContact CG1-CD1 4.42Å; V58-L65 HydrophobicContact CG2-CD1 4.26Å; V58-L65 PolarHBondContact N-O 2.59Å; V58-L65 PolarHBondContact O-N 2.8Å; V58-R67 HydrophobicContact CG2-CB 3.75Å |
| 59 | I | 83.5 | Confident | 83.7 | Confident | 113 Ų | 113 | 54 Ų | 54 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.8 | 171.7 | -52 | -178 | 0 | 0 | 0 | 106.9 | L63 R64 | I59-L63 WeakPolarHBondContact CA-O 3.21Å; I59-R64 HydrophobicContact CG1-CG 4.2Å |
| 60 | E | 75 | Confident | 83.4 | Confident | 121 Ų | 121 | 53.2 Ų | 53.2 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 95.2 | 177.9 | -168.3 | 169.9 | 177.6 | 0 | 0 | 108.7 | L63 L65 | E60-L63 PolarHBondContact N-O 3.38Å; E60-L63 WeakPolarHBondContact O-CB 3.27Å; E60-L63 PolarHBondContact O-N 3Å; E60-L63 VanDerWaalsContact O-N 3.07Å; E60-L65 HydrophobicContact CB-CD2 4.09Å |
| 61 | G | 77 | Confident | 83.2 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 67% | 0.67 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -124.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L63 | G61-L63 VanDerWaalsContact C-N 3.25Å; G61-L63 PolarHBondContact O-N 3.47Å |
| 62 | P | 76.1 | Confident | 83.2 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.5 | 178.2 | 33.2 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 63 | L | 77 | Confident | 82.8 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 135.1 | -173.6 | -57.7 | 178.5 | 0 | 0 | 0 | 110.7 | I59 E60 G61 L65 | I59-L63 WeakPolarHBondContact CA-O 3.21Å; E60-L63 PolarHBondContact N-O 3.38Å; E60-L63 WeakPolarHBondContact O-CB 3.27Å; E60-L63 PolarHBondContact O-N 3Å; E60-L63 VanDerWaalsContact O-N 3.07Å; G61-L63 VanDerWaalsContact C-N 3.25Å; G61-L63 PolarHBondContact O-N 3.47Å; L63-L65 HydrophobicContact CB-CD2 4.44Å |
| 64 | R | 80.7 | Confident | 82.4 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.4 | 163.8 | -60.3 | -169.6 | 178.5 | 161.1 | -4.8 | 108.6 | V58 I59 Q140 L141 | V58-R64 WeakPolarHBondContact O-CA 3.39Å; I59-R64 HydrophobicContact CG1-CG 4.2Å; R64-Q140 HydrophobicContact CB-CB 3.79Å; R64-Q140 HydrophobicContact CB-CG 4.06Å; R64-Q140 VanDerWaalsContact CD-OE1 3.29Å; R64-Q140 HydrophobicContact CG-CB 3.95Å; R64-Q140 HydrophobicContact CG-CG 3.82Å; R64-Q140 VanDerWaalsContact NE-OE1 3.16Å; R64-Q140 VanDerWaalsContact NH1-OE1 3.14Å; R64-L141 PolarHBondContact O-N 3.36Å |
| 65 | L | 83.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159 | -173.5 | 57.8 | 102.5 | 0 | 0 | 0 | 110 | Q57 V58 E60 L63 R67 L133 L134 | Q57-L65 CarbonylContact C-O 3.54Å; Q57-L65 WeakPolarHBondContact CA-O 3.48Å; V58-L65 HydrophobicContact CB-CD1 3.78Å; V58-L65 HydrophobicContact CB-CG 4.08Å; V58-L65 HydrophobicContact CG1-CD1 4.42Å; V58-L65 HydrophobicContact CG2-CD1 4.26Å; V58-L65 PolarHBondContact N-O 2.59Å; V58-L65 PolarHBondContact O-N 2.8Å; E60-L65 HydrophobicContact CB-CD2 4.09Å; L63-L65 HydrophobicContact CB-CD2 4.44Å; L65-R67 HydrophobicContact CD1-CB 4.35Å; L65-L133 HydrophobicContact CD1-CB 4.5Å; L65-L133 HydrophobicContact CD1-CD1 4.23Å; L65-L133 HydrophobicContact CD1-CD2 3.87Å; L65-L133 HydrophobicContact CD1-CG 4.43Å; L65-L134 CarbonylContact C-O 3.59Å; L65-L134 VanDerWaalsContact CA-O 3.27Å; L65-L134 WeakPolarHBondContact CA-O 3.3Å; L65-L134 VanDerWaalsContact CB-O 3.29Å; L65-L134 WeakPolarHBondContact CB-O 3.09Å |
| 66 | L | 86.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.5 | 166.9 | -54.4 | 175.9 | 0 | 0 | 0 | 108.9 | F40 L55 E56 Q57 L133 L134 I146 I149 | F40-L66 HydrophobicContact CD1-CD2 4.43Å; F40-L66 HydrophobicContact CE1-CD2 3.81Å; F40-L66 HydrophobicContact CE2-CD1 4.22Å; F40-L66 HydrophobicContact CE2-CD2 4.4Å; F40-L66 HydrophobicContact CZ-CD1 3.98Å; F40-L66 HydrophobicContact CZ-CD2 3.76Å; F40-L66 HydrophobicContact CZ-CG 4.41Å; L55-L66 HydrophobicContact CD1-CB 4.48Å; E56-L66 CarbonylContact O-C 3.45Å; E56-L66 WeakPolarHBondContact O-CA 3.26Å; Q57-L66 HydrophobicContact CB-CD2 3.95Å; Q57-L66 HydrophobicContact CG-CD2 4.14Å; L66-L133 CarbonylContact O-C 3.51Å; L66-L133 VanDerWaalsContact O-CA 3.24Å; L66-L133 WeakPolarHBondContact O-CA 3.22Å; L66-L134 HydrophobicContact CB-CB 4.1Å; L66-L134 HydrophobicContact CD1-CD2 3.9Å; L66-L134 PolarHBondContact N-O 3.06Å; L66-L134 PolarHBondContact O-N 2.9Å; L66-I146 HydrophobicContact CD1-CD1 3.48Å; L66-I146 VanDerWaalsContact CD1-CD1 3.48Å; L66-I146 HydrophobicContact CD1-CG1 4.15Å; L66-I146 HydrophobicContact CD2-CD1 3.91Å; L66-I146 HydrophobicContact CG-CD1 4.15Å; L66-I149 HydrophobicContact CD1-CD1 3.68Å |
| 67 | R | 87.6 | Confident | 80 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.185 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.9 | 178.5 | 176.9 | 161.8 | 73 | -159.3 | -0.4 | 108.8 | L55 E56 V58 L65 R69 T131 I132 L133 | L55-R67 CarbonylContact C-O 3.46Å; L55-R67 WeakPolarHBondContact CA-O 2.97Å; E56-R67 HydrophobicContact CG-CB 4.01Å; E56-R67 HydrophobicContact CG-CG 4.47Å; E56-R67 PolarHBondContact N-O 2.98Å; E56-R67 PolarHBondContact O-N 3.26Å; E56-R67 IonicContact OE1-CZ 3.13Å; E56-R67 IonicContact OE1-NE 2.77Å; E56-R67 PolarHBondContact OE1-NE 2.83Å; E56-R67 IonicContact OE1-NH2 2.67Å; E56-R67 PolarHBondContact OE1-NH2 2.75Å; E56-R67 IonicContact OE2-NH2 3.97Å; V58-R67 HydrophobicContact CG2-CB 3.75Å; L65-R67 HydrophobicContact CD1-CB 4.35Å; R67-R69 HydrophobicContact CG-CG 3.92Å; R67-R69 VanDerWaalsContact CZ-NH2 3.28Å; R67-R69 VanDerWaalsContact NE-CZ 3.28Å; R67-T131 HydrophobicContact CG-CG2 3.82Å; R67-I132 CarbonylContact C-O 3.51Å; R67-I132 WeakPolarHBondContact CA-O 3.43Å; R67-L133 HydrophobicContact CB-CD2 3.48Å; R67-L133 VanDerWaalsContact CB-CD2 3.48Å; R67-L133 HydrophobicContact CG-CD2 3.41Å; R67-L133 VanDerWaalsContact CG-CD2 3.41Å |
| 68 | L | 88.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123 | 167.9 | -179.9 | 58.4 | 0 | 0 | 0 | 108.3 | Y33 F49 R54 L55 F70 T131 I132 F151 | Y33-L68 HydrophobicContact CG-CD1 4.49Å; Y33-L68 HydrophobicContact CG-CD2 4.46Å; F49-L68 HydrophobicContact CE2-CD1 4.24Å; R54-L68 CarbonylContact O-C 3.57Å; R54-L68 WeakPolarHBondContact O-CA 3.49Å; L55-L68 HydrophobicContact CB-CD1 3.97Å; L55-L68 HydrophobicContact CD1-CB 4.04Å; L55-L68 HydrophobicContact CD1-CD1 4.46Å; L68-F70 HydrophobicContact CD1-CE1 4.2Å; L68-F70 HydrophobicContact CD1-CZ 4.37Å; L68-F70 HydrophobicContact CD2-CE1 3.85Å; L68-F70 HydrophobicContact CD2-CE2 4.29Å; L68-F70 HydrophobicContact CD2-CZ 3.39Å; L68-F70 HydrophobicContact CG-CE1 3.84Å; L68-F70 HydrophobicContact CG-CE2 4.12Å; L68-F70 HydrophobicContact CG-CZ 3.52Å; L68-T131 CarbonylContact O-C 3.54Å; L68-T131 VanDerWaalsContact O-CA 3.26Å; L68-T131 WeakPolarHBondContact O-CA 3.35Å; L68-I132 HydrophobicContact CB-CB 4.3Å; L68-I132 HydrophobicContact CD2-CD1 4.3Å; L68-I132 PolarHBondContact N-O 2.83Å; L68-I132 PolarHBondContact O-N 2.58Å; L68-F151 HydrophobicContact CD2-CB 3.74Å; L68-F151 HydrophobicContact CD2-CD2 3.69Å; L68-F151 HydrophobicContact CD2-CG 3.82Å |
| 69 | R | 87.7 | Confident | 79.1 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.1 | 179.1 | -81 | 174.6 | 166.4 | -179.7 | -3.8 | 110.2 | A53 R54 E56 R67 E130 T131 | A53-R69 CarbonylContact C-O 3.58Å; A53-R69 VanDerWaalsContact CA-O 3.29Å; A53-R69 WeakPolarHBondContact CA-O 3.49Å; R54-R69 PolarHBondContact N-O 3.47Å; R54-R69 PolarHBondContact O-N 2.73Å; E56-R69 IonicContact OE1-NH1 2.69Å; R67-R69 HydrophobicContact CG-CG 3.92Å; R67-R69 VanDerWaalsContact CZ-NH2 3.28Å; R67-R69 VanDerWaalsContact NE-CZ 3.28Å; R69-E130 WeakPolarHBondContact CA-O 3.43Å; R69-T131 HydrophobicContact CG-CG2 4.17Å |
| 70 | F | 82.1 | Confident | 79 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 152.1 | 174.2 | -52.2 | -73.3 | 0 | 0 | 0 | 109.4 | Y33 A53 L68 H72 V74 E130 I132 V153 | Y33-F70 AromaticContact CD2-CE1 3.72Å; Y33-F70 HydrophobicContact CD2-CE1 3.72Å; Y33-F70 HydrophobicContact CD2-CZ 4.48Å; Y33-F70 HydrophobicContact CE2-CD1 4.19Å; Y33-F70 AromaticContact CE2-CE1 3.6Å; Y33-F70 HydrophobicContact CE2-CE1 3.6Å; Y33-F70 HydrophobicContact CG-CE1 4.4Å; A53-F70 HydrophobicContact CB-CD1 4.11Å; L68-F70 HydrophobicContact CD1-CE1 4.2Å; L68-F70 HydrophobicContact CD1-CZ 4.37Å; L68-F70 HydrophobicContact CD2-CE1 3.85Å; L68-F70 HydrophobicContact CD2-CE2 4.29Å; L68-F70 HydrophobicContact CD2-CZ 3.39Å; L68-F70 HydrophobicContact CG-CE1 3.84Å; L68-F70 HydrophobicContact CG-CE2 4.12Å; L68-F70 HydrophobicContact CG-CZ 3.52Å; F70-H72 VanDerWaalsContact C-N 3.31Å; F70-H72 WeakPolarHBondContact CB-O 3.25Å; F70-V74 HydrophobicContact CB-CG1 4.49Å; F70-V74 HydrophobicContact CB-CG2 4.41Å; F70-V74 HydrophobicContact CD1-CG1 4.45Å; F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CD2-CG2 3.36Å; F70-V74 HydrophobicContact CE1-CG2 4.25Å; F70-V74 HydrophobicContact CE2-CG2 3.5Å; F70-V74 VanDerWaalsContact CE2-CG2 3.5Å; F70-V74 HydrophobicContact CG-CG1 4.32Å; F70-V74 HydrophobicContact CG-CG2 3.7Å; F70-V74 HydrophobicContact CZ-CG2 3.94Å; F70-E130 PolarHBondContact N-O 3.21Å; F70-I132 HydrophobicContact CE2-CD1 3.79Å; F70-I132 HydrophobicContact CE2-CG1 4.19Å; F70-I132 HydrophobicContact CZ-CD1 3.96Å; F70-V153 HydrophobicContact CD1-CG2 4.47Å; F70-V153 HydrophobicContact CE1-CG1 4.2Å; F70-V153 HydrophobicContact CE1-CG2 3.84Å; F70-V153 HydrophobicContact CE2-CG1 4.32Å; F70-V153 HydrophobicContact CZ-CB 4.43Å; F70-V153 HydrophobicContact CZ-CG1 3.64Å; F70-V153 HydrophobicContact CZ-CG2 4.11Å |
| 71 | N | 75.4 | Confident | 79.3 | Confident | 104 Ų | 104 | 39.7 Ų | 39.7 | 56% | 0.556 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -7.3 | 172.7 | 57.3 | -18.3 | 0 | 0 | 0 | 112.8 | D51 | D51-N71 PolarHBondContact O-ND2 3.07Å |
| 72 | H | 72.2 | Confident | 79.6 | Confident | 76 Ų | 76 | 39.3 Ų | 39.3 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 167.1 | 176.9 | 58.9 | -82.6 | 0 | 0 | 0 | 109.5 | F70 V74 | F70-H72 VanDerWaalsContact C-N 3.31Å; F70-H72 WeakPolarHBondContact CB-O 3.25Å; H72-V74 VanDerWaalsContact CD2-CG1 3.43Å; H72-V74 WeakPolarHBondContact CD2-CG1 3.39Å; H72-V74 VanDerWaalsContact NE2-CG1 3.26Å; H72-V74 WeakPolarHBondContact NE2-CG1 3.37Å |
| 73 | T | 73.9 | Confident | 79.7 | Confident | 54 Ų | 54 | 34.2 Ų | 34.2 | 33% | 0.331 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129 | 175.8 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | P128 E130 H156 | T73-P128 HydrophobicContact CG2-CB 4.24Å; T73-E130 HydrophobicContact CG2-CG 3.84Å; T73-H156 PolarHBondContact O-N 3.49Å |
| 74 | V | 76.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154 | -180 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | F70 H72 I129 V153 C154 | F70-V74 HydrophobicContact CB-CG1 4.49Å; F70-V74 HydrophobicContact CB-CG2 4.41Å; F70-V74 HydrophobicContact CD1-CG1 4.45Å; F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CD2-CG2 3.36Å; F70-V74 HydrophobicContact CE1-CG2 4.25Å; F70-V74 HydrophobicContact CE2-CG2 3.5Å; F70-V74 VanDerWaalsContact CE2-CG2 3.5Å; F70-V74 HydrophobicContact CG-CG1 4.32Å; F70-V74 HydrophobicContact CG-CG2 3.7Å; F70-V74 HydrophobicContact CZ-CG2 3.94Å; H72-V74 VanDerWaalsContact CD2-CG1 3.43Å; H72-V74 WeakPolarHBondContact CD2-CG1 3.39Å; H72-V74 VanDerWaalsContact NE2-CG1 3.26Å; H72-V74 WeakPolarHBondContact NE2-CG1 3.37Å; V74-I129 WeakPolarHBondContact CG2-O 3.43Å; V74-I129 PolarHBondContact N-O 3.25Å; V74-I129 WeakPolarHBondContact O-CB 3.48Å; V74-I129 PolarHBondContact O-N 3.47Å; V74-V153 HydrophobicContact CB-CB 3.91Å; V74-V153 HydrophobicContact CB-CG2 3.94Å; V74-V153 HydrophobicContact CG1-CG2 4.01Å; V74-V153 HydrophobicContact CG2-CB 3.8Å; V74-V153 HydrophobicContact CG2-CG1 4.09Å; V74-V153 HydrophobicContact CG2-CG2 3.92Å; V74-C154 CarbonylContact C-O 3.51Å; V74-C154 WeakPolarHBondContact CA-O 3.29Å; V74-C154 WeakPolarHBondContact CB-O 3.27Å |
| 75 | D | 73.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.4 | 162.3 | -70.1 | -28.5 | 0 | 0 | 0 | 110.2 | R77 E126 I127 V153 C154 H156 | D75-R77 PolarHBondContact O-N 3.08Å; D75-R77 IonicContact OD2-CZ 3.26Å; D75-R77 IonicContact OD2-NE 3.63Å; D75-R77 IonicContact OD2-NH2 2.97Å; D75-R77 PolarHBondContact OD2-NH2 3.36Å; D75-E126 WeakPolarHBondContact OD1-CA 3.48Å; D75-I127 PolarHBondContact OD1-N 3.21Å; D75-V153 CarbonylContact O-C 3.49Å; D75-V153 WeakPolarHBondContact O-CA 3.4Å; D75-V153 VanDerWaalsContact O-CB 3.3Å; D75-V153 WeakPolarHBondContact O-CB 3.33Å; D75-C154 PolarHBondContact N-O 2.79Å; D75-C154 PolarHBondContact O-N 3.26Å; D75-H156 IonicContact OD1-CE1 3.88Å; D75-H156 IonicContact OD1-CG 3.9Å; D75-H156 IonicContact OD1-ND1 2.79Å; D75-H156 PolarHBondContact OD1-ND1 3.49Å |
| 76 | L | 75.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116 | 169.3 | 179.6 | 59.6 | 0 | 0 | 0 | 109.8 | V79 V91 L123 I129 I132 F151 V153 | L76-V79 HydrophobicContact CD1-CG2 3.87Å; L76-V79 HydrophobicContact CD2-CG2 3.7Å; L76-V79 HydrophobicContact CG-CG2 3.99Å; L76-V91 HydrophobicContact CD2-CG2 3.88Å; L76-L123 HydrophobicContact CB-CD1 4.09Å; L76-L123 HydrophobicContact CD2-CD1 3.42Å; L76-L123 VanDerWaalsContact CD2-CD1 3.42Å; L76-L123 HydrophobicContact CG-CD1 3.56Å; L76-L123 WeakPolarHBondContact O-CB 3.47Å; L76-I129 HydrophobicContact CB-CD1 3.55Å; L76-I132 HydrophobicContact CD1-CD1 3.84Å; L76-I132 HydrophobicContact CD2-CD1 3.83Å; L76-I132 HydrophobicContact CD2-CG1 4.33Å; L76-I132 HydrophobicContact CG-CD1 4.28Å; L76-F151 HydrophobicContact CD1-CB 4.18Å; L76-F151 HydrophobicContact CD1-CD1 4.01Å; L76-V153 HydrophobicContact CB-CG1 4.48Å; L76-V153 HydrophobicContact CD1-CG1 3.72Å |
| 77 | R | 73.5 | Confident | 78.1 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -42.1 | -178 | -62.1 | -60 | 178.6 | 154.4 | -0.8 | 113.2 | D75 D122 L123 E126 T152 C154 F175 | D75-R77 PolarHBondContact O-N 3.08Å; D75-R77 IonicContact OD2-CZ 3.26Å; D75-R77 IonicContact OD2-NE 3.63Å; D75-R77 IonicContact OD2-NH2 2.97Å; D75-R77 PolarHBondContact OD2-NH2 3.36Å; R77-D122 CarbonylContact O-C 3.34Å; R77-D122 VanDerWaalsContact O-CA 3.28Å; R77-D122 WeakPolarHBondContact O-CA 3.38Å; R77-L123 PolarHBondContact O-N 2.92Å; R77-E126 IonicContact CZ-OE1 3.95Å; R77-E126 IonicContact NH1-OE1 3.64Å; R77-E126 PolarHBondContact NH1-OE1 3.5Å; R77-E126 IonicContact NH2-OE1 3.64Å; R77-E126 PolarHBondContact NH2-OE1 2.79Å; R77-E126 IonicContact NH2-OE2 2.83Å; R77-T152 PolarHBondContact N-O 3.3Å; R77-C154 HydrophobicContact CG-CB 4.24Å; R77-C154 VanDerWaalsContact CG-SG 3.53Å; R77-F175 HydrophobicContact CB-CD1 4.09Å |
| 78 | R | 75.6 | Confident | 77.2 | Confident | 41 Ų | 41 | 35 Ų | 35 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.1 | 179.5 | -166.5 | 167.8 | -85 | 161.9 | 7.6 | 111.8 | Q120 T121 D122 F151 T152 F175 | R78-Q120 HydrophobicContact CG-CG 4.08Å; R78-Q120 VanDerWaalsContact CZ-NE2 3.34Å; R78-T121 WeakPolarHBondContact CA-O 3.32Å; R78-D122 IonicContact CZ-OD1 2.68Å; R78-D122 VanDerWaalsContact CZ-OD1 3.26Å; R78-D122 IonicContact NE-OD1 3.75Å; R78-D122 PolarHBondContact NE-OD1 2.78Å; R78-D122 IonicContact NH2-OD1 3.85Å; R78-D122 PolarHBondContact NH2-OD1 3.07Å; R78-D122 IonicContact NH2-OD2 3.67Å; R78-D122 PolarHBondContact NH2-OD2 2.85Å; R78-D122 VanDerWaalsContact NH2-OD2 3.11Å; R78-F151 WeakPolarHBondContact O-CA 3.21Å; R78-T152 PolarHBondContact N-O 3.43Å; R78-T152 PolarHBondContact O-N 2.79Å; R78-F175 HydrophobicContact CB-CE1 3.7Å; R78-F175 HydrophobicContact CB-CZ 4.03Å; R78-F175 HydrophobicContact CG-CE1 4.28Å; R78-F175 HydrophobicContact CG-CZ 4.45Å; R78-F175 VanDerWaalsContact NH2-CZ 3.27Å |
| 79 | V | 79.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.4 | 167.4 | 178.1 | 0 | 0 | 0 | 0 | 108 | L76 L81 V89 L111 Q120 T121 F151 | L76-V79 HydrophobicContact CD1-CG2 3.87Å; L76-V79 HydrophobicContact CD2-CG2 3.7Å; L76-V79 HydrophobicContact CG-CG2 3.99Å; V79-L81 HydrophobicContact CG1-CD1 3.62Å; V79-L81 HydrophobicContact CG1-CD2 4.03Å; V79-L81 HydrophobicContact CG1-CG 3.55Å; V79-V89 HydrophobicContact CG1-CG2 4.47Å; V79-L111 HydrophobicContact CB-CD1 3.95Å; V79-L111 HydrophobicContact CG1-CD1 3.92Å; V79-L111 HydrophobicContact CG2-CD1 4.13Å; V79-Q120 WeakPolarHBondContact O-CA 2.95Å; V79-T121 HydrophobicContact CB-CG2 3.96Å; V79-T121 PolarHBondContact N-O 2.92Å; V79-T121 PolarHBondContact O-N 2.7Å; V79-F151 HydrophobicContact CG1-CD1 4.27Å; V79-F151 HydrophobicContact CG1-CE1 3.89Å; V79-F151 HydrophobicContact CG2-CD1 3.88Å; V79-F151 HydrophobicContact CG2-CE1 4.06Å |
| 80 | T | 80.5 | Confident | 75.1 | Confident | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.1 | 170.2 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | L119 L148 I149 N150 | T80-L119 CarbonylContact C-O 3.58Å; T80-L119 WeakPolarHBondContact CA-O 3.48Å; T80-L148 HydrophobicContact CG2-CD2 4.16Å; T80-I149 CarbonylContact O-C 3.54Å; T80-I149 WeakPolarHBondContact O-CA 3.46Å; T80-N150 PolarHBondContact N-O 3.34Å; T80-N150 PolarHBondContact O-N 2.67Å |
| 81 | L | 81.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.9 | -178.1 | -58 | 170.1 | 0 | 0 | 0 | 110 | V79 P87 V89 P118 L119 L134 I149 F151 | V79-L81 HydrophobicContact CG1-CD1 3.62Å; V79-L81 HydrophobicContact CG1-CD2 4.03Å; V79-L81 HydrophobicContact CG1-CG 3.55Å; L81-P87 HydrophobicContact CD1-CB 4.31Å; L81-P87 HydrophobicContact CD1-CG 4.31Å; L81-V89 HydrophobicContact CD1-CG2 3.34Å; L81-P118 CarbonylContact O-C 3.54Å; L81-P118 WeakPolarHBondContact O-CA 3.4Å; L81-L119 PolarHBondContact N-O 2.85Å; L81-L119 PolarHBondContact O-N 3.08Å; L81-L134 HydrophobicContact CD1-CD1 3.81Å; L81-L134 HydrophobicContact CD2-CD1 4.26Å; L81-L134 HydrophobicContact CD2-CD2 4.08Å; L81-I149 HydrophobicContact CD2-CB 3.97Å; L81-I149 HydrophobicContact CD2-CG2 3.53Å; L81-F151 HydrophobicContact CD2-CZ 4.09Å |
| 82 | Q | 82.5 | Confident | 73.5 | Confident | 57 Ų | 57 | 30.9 Ų | 30.9 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 112.1 | 167.8 | -162.4 | -174.5 | 8 | 0 | 0 | 107.6 | S116 P118 L147 L148 | Q82-S116 PolarHBondContact NE2-O 2.98Å; Q82-P118 HydrophobicContact CB-CB 4.41Å; Q82-P118 HydrophobicContact CG-CB 4.43Å; Q82-L147 HydrophobicContact CB-CB 4.2Å; Q82-L147 HydrophobicContact CG-CB 4.18Å; Q82-L147 HydrophobicContact CG-CD1 4.05Å; Q82-L147 WeakPolarHBondContact O-CA 3.35Å; Q82-L147 WeakPolarHBondContact O-CB 3.31Å; Q82-L147 PolarHBondContact O-N 2.77Å; Q82-L148 HydrophobicContact CB-CB 3.96Å; Q82-L148 PolarHBondContact N-O 2.79Å; Q82-L148 PolarHBondContact O-N 3.11Å |
| 83 | L | 79.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.4 | -175.5 | -55.7 | 177.3 | 0 | 0 | 0 | 110.1 | V85 P87 S116 L134 L141 E145 I146 I149 | L83-V85 VanDerWaalsContact C-N 3.25Å; L83-V85 HydrophobicContact CB-CG2 4.47Å; L83-V85 VanDerWaalsContact CB-O 3.32Å; L83-V85 WeakPolarHBondContact CB-O 3.4Å; L83-P87 HydrophobicContact CD1-CB 3.52Å; L83-P87 HydrophobicContact CD1-CG 3.85Å; L83-S116 PolarHBondContact O-N 2.85Å; L83-L134 HydrophobicContact CD1-CD2 4.25Å; L83-L141 HydrophobicContact CD1-CD2 3.8Å; L83-E145 CarbonylContact C-O 3.56Å; L83-E145 VanDerWaalsContact CA-O 3.27Å; L83-E145 WeakPolarHBondContact CA-O 3.38Å; L83-I146 HydrophobicContact CD2-CB 4.16Å; L83-I146 HydrophobicContact CD2-CG1 4.01Å; L83-I146 HydrophobicContact CD2-CG2 4.2Å; L83-I149 HydrophobicContact CD2-CG2 4.1Å |
| 84 | R | 79.2 | Confident | 71.8 | Confident | 116 Ų | 116 | 30.5 Ų | 30.5 | 44% | 0.438 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -81.6 | -5.2 | 172.8 | -73 | -179.8 | -177.6 | 177.9 | 1.6 | 113.1 | K115 D144 E145 L147 | R84-K115 WeakPolarHBondContact O-CD 3.44Å; R84-K115 WeakPolarHBondContact O-CE 3.49Å; R84-K115 VanDerWaalsContact O-CG 3.28Å; R84-K115 WeakPolarHBondContact O-CG 3.28Å; R84-K115 PolarHBondContact O-NZ 2.88Å; R84-D144 WeakPolarHBondContact CD-O 3.5Å; R84-D144 PolarHBondContact NH1-O 2.69Å; R84-E145 VanDerWaalsContact C-OE2 3.25Å; R84-E145 WeakPolarHBondContact CB-OE2 3.42Å; R84-E145 PolarHBondContact N-O 2.97Å; R84-L147 HydrophobicContact CG-CD1 4.09Å; R84-L147 HydrophobicContact CG-CD2 4Å; R84-L147 HydrophobicContact CG-CG 4.1Å |
| 85 | V | 74.8 | Confident | 70.3 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -124.8 | 162.6 | 172.9 | -76.4 | 0 | 0 | 0 | 0 | 110.4 | L83 P87 A139 L141 E145 | L83-V85 VanDerWaalsContact C-N 3.25Å; L83-V85 HydrophobicContact CB-CG2 4.47Å; L83-V85 VanDerWaalsContact CB-O 3.32Å; L83-V85 WeakPolarHBondContact CB-O 3.4Å; V85-P87 VanDerWaalsContact O-CD 3.26Å; V85-P87 WeakPolarHBondContact O-CD 3.37Å; V85-A139 HydrophobicContact CG1-CB 4.21Å; V85-L141 HydrophobicContact CG2-CD2 4.06Å; V85-E145 HydrophobicContact CG1-CG 4.45Å; V85-E145 WeakPolarHBondContact CG1-OE2 3.24Å; V85-E145 HydrophobicContact CG2-CB 4.16Å; V85-E145 HydrophobicContact CG2-CG 4.37Å; V85-E145 PolarHBondContact N-OE2 2.87Å |
| 86 | N | 69.5 | Low | 68.8 | Low | 66 Ų | 66 | 35.6 Ų | 35.6 | 35% | 0.353 | 17% | 0.166 | S | C | . | . | trans | -72.2 | 117.2 | 174.7 | -63.6 | -9.4 | 0 | 0 | 0 | 109.6 | F137 | N86-F137 PolarHBondContact O-N 3.28Å; N86-F137 VanDerWaalsContact O-N 3.17Å | ||
| 87 | P | 69 | Low | 67.2 | Low | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 159.4 | 176.5 | 20.7 | -21.7 | 0 | 0 | 0 | 112.7 | L81 L83 V85 A113 L134 | L81-P87 HydrophobicContact CD1-CB 4.31Å; L81-P87 HydrophobicContact CD1-CG 4.31Å; L83-P87 HydrophobicContact CD1-CB 3.52Å; L83-P87 HydrophobicContact CD1-CG 3.85Å; V85-P87 VanDerWaalsContact O-CD 3.26Å; V85-P87 WeakPolarHBondContact O-CD 3.37Å; P87-A113 HydrophobicContact CG-CB 3.73Å; P87-L134 HydrophobicContact CB-CD1 4.12Å |
| 88 | T | 68.5 | Low | 65.8 | Low | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 112.5 | 155.8 | -56.2 | 0 | 0 | 0 | 0 | 108 | R90 Q135 F137 | T88-R90 HydrophobicContact CG2-CG 4.33Å; T88-Q135 CarbonylContact C-O 3.58Å; T88-Q135 WeakPolarHBondContact CA-O 3.43Å; T88-Q135 PolarHBondContact N-O 3.13Å; T88-Q135 CarbonylContact O-C 3.44Å; T88-Q135 PolarHBondContact O-N 2.99Å; T88-F137 WeakPolarHBondContact OG1-CA 3.26Å |
| 89 | V | 66.1 | Low | 64 | Low | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 137.4 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | V79 L81 V91 L111 I132 L134 | V79-V89 HydrophobicContact CG1-CG2 4.47Å; L81-V89 HydrophobicContact CD1-CG2 3.34Å; V89-V91 HydrophobicContact CG1-CG2 4.02Å; V89-L111 HydrophobicContact CB-CB 4.18Å; V89-L111 HydrophobicContact CB-CD1 4.18Å; V89-L111 HydrophobicContact CB-CG 4.39Å; V89-L111 HydrophobicContact CG2-CB 3.77Å; V89-L111 HydrophobicContact CG2-CD1 3.9Å; V89-L111 HydrophobicContact CG2-CG 4.29Å; V89-I132 HydrophobicContact CG1-CG2 4.27Å; V89-L134 HydrophobicContact CB-CD1 4.13Å; V89-L134 HydrophobicContact CG2-CD1 3.33Å |
| 90 | R | 66.4 | Low | 62 | Low | 88 Ų | 88 | 61.9 Ų | 61.9 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 115.2 | 175.8 | -59 | -174.2 | 167.9 | -174 | 1 | 108.2 | T88 F92 F108 L133 Q135 | T88-R90 HydrophobicContact CG2-CG 4.33Å; R90-F92 HydrophobicContact CB-CE2 3.71Å; R90-F92 HydrophobicContact CB-CZ 4.4Å; R90-F92 WeakPolarHBondContact O-CD2 3.46Å; R90-F108 HydrophobicContact CB-CD1 3.94Å; R90-F108 HydrophobicContact CB-CE1 4.26Å; R90-F108 HydrophobicContact CG-CD1 3.81Å; R90-F108 HydrophobicContact CG-CE1 4.21Å; R90-L133 CarbonylContact C-O 3.56Å; R90-L133 HydrophobicContact CB-CB 4.47Å; R90-L133 PolarHBondContact N-O 2.86Å; R90-L133 CarbonylContact O-C 3.52Å; R90-L133 WeakPolarHBondContact O-CA 3.46Å; R90-L133 PolarHBondContact O-N 2.03Å; R90-Q135 VanDerWaalsContact NH1-OE1 3.13Å |
| 91 | V | 62.9 | Low | 60 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.4 | -174.6 | 179.3 | 0 | 0 | 0 | 0 | 109 | L76 V89 T93 E107 F109 I129 I132 | L76-V91 HydrophobicContact CD2-CG2 3.88Å; V89-V91 HydrophobicContact CG1-CG2 4.02Å; V91-T93 HydrophobicContact CG1-CG2 4.47Å; V91-E107 CarbonylContact C-O 3.5Å; V91-E107 WeakPolarHBondContact CA-O 3.39Å; V91-E107 PolarHBondContact N-O 2.95Å; V91-E107 VanDerWaalsContact N-O 3.08Å; V91-E107 CarbonylContact O-C 3.5Å; V91-E107 PolarHBondContact O-N 3.01Å; V91-F109 HydrophobicContact CB-CD2 3.85Å; V91-F109 HydrophobicContact CB-CE2 4.04Å; V91-F109 HydrophobicContact CG1-CE2 4.44Å; V91-F109 HydrophobicContact CG2-CD2 3.65Å; V91-F109 HydrophobicContact CG2-CE2 4.19Å; V91-I129 HydrophobicContact CG1-CB 4.48Å; V91-I129 HydrophobicContact CG1-CD1 3.4Å; V91-I129 HydrophobicContact CG1-CG1 3.6Å; V91-I129 HydrophobicContact CG1-CG2 4Å; V91-I132 HydrophobicContact CG1-CG1 4.39Å; V91-I132 HydrophobicContact CG2-CG2 4.3Å |
| 92 | F | 62.2 | Low | 57.8 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.8 | -177.5 | -69.3 | -102.8 | 0 | 0 | 0 | 108.4 | R90 T106 T131 L133 | R90-F92 HydrophobicContact CB-CE2 3.71Å; R90-F92 HydrophobicContact CB-CZ 4.4Å; R90-F92 WeakPolarHBondContact O-CD2 3.46Å; F92-T106 HydrophobicContact CD1-CG2 3.34Å; F92-T106 VanDerWaalsContact CD1-OG1 3.23Å; F92-T106 WeakPolarHBondContact CD1-OG1 3.49Å; F92-T106 HydrophobicContact CD2-CG2 4.14Å; F92-T106 HydrophobicContact CE1-CG2 3.18Å; F92-T106 WeakPolarHBondContact CE1-OG1 3.42Å; F92-T106 HydrophobicContact CE2-CG2 3.97Å; F92-T106 HydrophobicContact CG-CG2 3.85Å; F92-T106 HydrophobicContact CZ-CG2 3.52Å; F92-T131 CarbonylContact C-O 3.47Å; F92-T131 WeakPolarHBondContact CA-O 3.44Å; F92-T131 PolarHBondContact N-O 3.02Å; F92-L133 HydrophobicContact CD2-CB 4.06Å; F92-L133 HydrophobicContact CD2-CD1 3.75Å; F92-L133 HydrophobicContact CD2-CG 3.53Å; F92-L133 HydrophobicContact CE1-CD1 4.48Å; F92-L133 HydrophobicContact CE2-CB 3.72Å; F92-L133 HydrophobicContact CE2-CD1 3.22Å; F92-L133 HydrophobicContact CE2-CG 3.41Å; F92-L133 VanDerWaalsContact CE2-CG 3.41Å; F92-L133 HydrophobicContact CZ-CD1 3.64Å; F92-L133 HydrophobicContact CZ-CG 4.32Å |
| 93 | T | 57.2 | Low | 55.9 | Low | 5 Ų | 5 | 86.2 Ų | 86.2 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.7 | -179.2 | 78.5 | 0 | 0 | 0 | 0 | 107.9 | V91 A95 S105 E107 I127 P128 I129 | V91-T93 HydrophobicContact CG1-CG2 4.47Å; T93-A95 PolarHBondContact O-N 2.98Å; T93-S105 WeakPolarHBondContact CB-O 3.18Å; T93-S105 PolarHBondContact N-O 2.91Å; T93-S105 PolarHBondContact OG1-O 2.77Å; T93-S105 PolarHBondContact OG1-OG 2.78Å; T93-E107 HydrophobicContact CG2-CB 4.16Å; T93-E107 HydrophobicContact CG2-CG 4.18Å; T93-I127 HydrophobicContact CG2-CB 4.26Å; T93-I127 HydrophobicContact CG2-CG2 3.26Å; T93-P128 WeakPolarHBondContact CA-O 3.44Å; T93-P128 WeakPolarHBondContact CB-O 3.26Å; T93-I129 HydrophobicContact CG2-CG1 3.96Å |
| 94 | R | 52.4 | Low | 54.2 | Low | 117 Ų | 117 | 91.6 Ų | 91.6 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | trans | -76 | 114 | 166.3 | -172.4 | 168 | 177.4 | 179 | -3.1 | 105 | V96 P128 E130 | R94-V96 PolarHBondContact O-N 2.82Å; R94-P128 PolarHBondContact N-O 3.25Å; R94-E130 WeakPolarHBondContact CD-OE1 3.49Å; R94-E130 IonicContact CZ-OE1 3.63Å; R94-E130 IonicContact NE-OE1 3.11Å; R94-E130 IonicContact NH1-OE1 3.19Å; R94-E130 PolarHBondContact NH1-OE1 3.07Å; R94-E130 IonicContact NH1-OE2 2.71Å | ||
| 95 | A | 46.5 | Very low | 52.8 | Low | 21 Ų | 21 | 88.3 Ų | 88.3 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | trans | -52.4 | 114.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | T93 Q97 | T93-A95 PolarHBondContact O-N 2.98Å; A95-Q97 PolarHBondContact O-N 3.47Å | ||
| 96 | V | 40.8 | Very low | 51.7 | Low | 88 Ų | 88 | 88.9 Ų | 88.9 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | trans | -50 | 118.2 | 173 | 179.1 | 0 | 0 | 0 | 0 | 106 | R94 N98 R99 P128 | R94-V96 PolarHBondContact O-N 2.82Å; V96-N98 PolarHBondContact O-N 2.93Å; V96-R99 PolarHBondContact O-N 2.83Å; V96-R99 VanDerWaalsContact O-N 3.07Å; V96-P128 HydrophobicContact CG2-CG 3.69Å | ||
| 97 | Q | 41.9 | Very low | 51 | Low | 165 Ų | 165 | 88.9 Ų | 88.9 | 77% | 0.771 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -16.8 | -168.7 | -82.9 | 175.6 | -26.1 | 0 | 0 | 114.3 | A95 | A95-Q97 PolarHBondContact O-N 3.47Š|
| 98 | N | 44 | Very low | 50.3 | Low | 157 Ų | 157 | 94.9 Ų | 94.9 | 84% | 0.84 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.9 | -179.6 | -77.4 | -15.9 | 0 | 0 | 0 | 116 | V96 | V96-N98 PolarHBondContact O-N 2.93Š|
| 99 | R | 39.5 | Very low | 49.9 | Very low | 208 Ų | 208 | 96.2 Ų | 96.2 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -101.5 | 89.9 | 168.4 | -72.9 | -172 | 179.2 | 174.8 | 3 | 110.5 | V96 L101 | V96-R99 PolarHBondContact O-N 2.83Å; V96-R99 VanDerWaalsContact O-N 3.07Å; R99-L101 PolarHBondContact O-N 2.83Å |
| 100 | S | 38.1 | Very low | 49.5 | Very low | 86 Ų | 86 | 101 Ų | 101 | 60% | 0.601 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 11.6 | 100.6 | 155.9 | 62.1 | 0 | 0 | 0 | 0 | 116 | F102 | S100-F102 WeakPolarHBondContact O-CD2 3.23Å; S100-F102 PolarHBondContact O-N 3.25Å |
| 101 | L | 38.2 | Very low | 49.3 | Very low | 182 Ų | 182 | 97.8 Ų | 97.8 | 95% | 0.953 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 1.1 | 155.5 | -71.2 | 162.8 | 0 | 0 | 0 | 119.6 | R99 R103 | R99-L101 PolarHBondContact O-N 2.83Å; L101-R103 PolarHBondContact O-N 3.21Å |
| 102 | F | 35.6 | Very low | 49.2 | Very low | 168 Ų | 168 | 103.3 Ų | 103.3 | 74% | 0.737 | 50% | 0.495 | S | S | * | . | trans | -87.6 | 110.2 | 177.4 | -74.5 | -77.9 | 0 | 0 | 0 | 110.4 | S100 | S100-F102 WeakPolarHBondContact O-CD2 3.23Å; S100-F102 PolarHBondContact O-N 3.25Å | ||
| 103 | R | 41.7 | Very low | 49 | Very low | 236 Ų | 236 | 100.9 Ų | 100.9 | 89% | 0.891 | 49% | 0.485 | S | S | * | . | trans | -14.5 | 131.4 | 151.6 | -65.9 | 173.5 | 173.4 | -176.4 | -3 | 111.4 | L101 S105 | L101-R103 PolarHBondContact O-N 3.21Å; R103-S105 PolarHBondContact O-N 2.92Å | ||
| 104 | N | 44.5 | Very low | 49.4 | Very low | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | trans | -13.7 | 103.5 | 168.8 | -66.1 | -13 | 0 | 0 | 0 | 111.5 | T106 | N104-T106 VanDerWaalsContact C-N 3.31Å; N104-T106 PolarHBondContact O-N 2.85Å; N104-T106 PolarHBondContact O-OG1 3.34Å | ||
| 105 | S | 48.2 | Very low | 50 | Low | 48 Ų | 48 | 106.5 Ų | 106.5 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | trans | -61.9 | 101.2 | 178.3 | 37.5 | 0 | 0 | 0 | 0 | 106.4 | T93 R103 E107 | T93-S105 WeakPolarHBondContact CB-O 3.18Å; T93-S105 PolarHBondContact N-O 2.91Å; T93-S105 PolarHBondContact OG1-O 2.77Å; T93-S105 PolarHBondContact OG1-OG 2.78Å; R103-S105 PolarHBondContact O-N 2.92Å; S105-E107 PolarHBondContact O-N 2.77Å | ||
| 106 | T | 51.7 | Low | 50.9 | Low | 42 Ų | 42 | 108.3 Ų | 108.3 | 26% | 0.258 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.5 | 173.5 | -53.8 | 0 | 0 | 0 | 0 | 105.6 | F92 N104 F108 | F92-T106 HydrophobicContact CD1-CG2 3.34Å; F92-T106 VanDerWaalsContact CD1-OG1 3.23Å; F92-T106 WeakPolarHBondContact CD1-OG1 3.49Å; F92-T106 HydrophobicContact CD2-CG2 4.14Å; F92-T106 HydrophobicContact CE1-CG2 3.18Å; F92-T106 WeakPolarHBondContact CE1-OG1 3.42Å; F92-T106 HydrophobicContact CE2-CG2 3.97Å; F92-T106 HydrophobicContact CG-CG2 3.85Å; F92-T106 HydrophobicContact CZ-CG2 3.52Å; N104-T106 VanDerWaalsContact C-N 3.31Å; N104-T106 PolarHBondContact O-N 2.85Å; N104-T106 PolarHBondContact O-OG1 3.34Å; T106-F108 HydrophobicContact CG2-CD1 4Å; T106-F108 HydrophobicContact CG2-CD2 4.18Å; T106-F108 HydrophobicContact CG2-CE1 3.39Å; T106-F108 HydrophobicContact CG2-CE2 3.6Å; T106-F108 HydrophobicContact CG2-CG 4.37Å; T106-F108 HydrophobicContact CG2-CZ 3.18Å; T106-F108 WeakPolarHBondContact O-CD2 3.23Å; T106-F108 WeakPolarHBondContact O-CE2 3.13Å |
| 107 | E | 56 | Low | 52.2 | Low | 65 Ų | 65 | 107.8 Ų | 107.8 | 30% | 0.304 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120 | 175.4 | -70.3 | -169.1 | 177.7 | 0 | 0 | 109 | V91 T93 S105 F109 I127 | V91-E107 CarbonylContact C-O 3.5Å; V91-E107 WeakPolarHBondContact CA-O 3.39Å; V91-E107 PolarHBondContact N-O 2.95Å; V91-E107 VanDerWaalsContact N-O 3.08Å; V91-E107 CarbonylContact O-C 3.5Å; V91-E107 PolarHBondContact O-N 3.01Å; T93-E107 HydrophobicContact CG2-CB 4.16Å; T93-E107 HydrophobicContact CG2-CG 4.18Å; S105-E107 PolarHBondContact O-N 2.77Å; E107-F109 HydrophobicContact CB-CE2 4.17Å; E107-F109 HydrophobicContact CB-CZ 4.48Å; E107-I127 WeakPolarHBondContact OE2-CD1 3.43Å |
| 108 | F | 55 | Low | 53.4 | Low | 129 Ų | 129 | 103.6 Ų | 103.6 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | trans | -98.9 | 111.9 | -175.5 | -59.5 | -84.4 | 0 | 0 | 0 | 109 | R90 T106 | R90-F108 HydrophobicContact CB-CD1 3.94Å; R90-F108 HydrophobicContact CB-CE1 4.26Å; R90-F108 HydrophobicContact CG-CD1 3.81Å; R90-F108 HydrophobicContact CG-CE1 4.21Å; T106-F108 HydrophobicContact CG2-CD1 4Å; T106-F108 HydrophobicContact CG2-CD2 4.18Å; T106-F108 HydrophobicContact CG2-CE1 3.39Å; T106-F108 HydrophobicContact CG2-CE2 3.6Å; T106-F108 HydrophobicContact CG2-CG 4.37Å; T106-F108 HydrophobicContact CG2-CZ 3.18Å; T106-F108 WeakPolarHBondContact O-CD2 3.23Å; T106-F108 WeakPolarHBondContact O-CE2 3.13Å | ||
| 109 | F | 59.7 | Low | 54.6 | Low | 42 Ų | 42 | 97.9 Ų | 97.9 | 18% | 0.184 | 48% | 0.482 | C | S | . | . | trans | -95.9 | 109.9 | 169.4 | -61.8 | -78.8 | 0 | 0 | 0 | 109.2 | V91 E107 L111 L123 I127 | V91-F109 HydrophobicContact CB-CD2 3.85Å; V91-F109 HydrophobicContact CB-CE2 4.04Å; V91-F109 HydrophobicContact CG1-CE2 4.44Å; V91-F109 HydrophobicContact CG2-CD2 3.65Å; V91-F109 HydrophobicContact CG2-CE2 4.19Å; E107-F109 HydrophobicContact CB-CE2 4.17Å; E107-F109 HydrophobicContact CB-CZ 4.48Å; F109-L111 VanDerWaalsContact C-N 3.27Å; F109-L111 HydrophobicContact CB-CG 4.2Å; F109-L111 PolarHBondContact O-N 3.34Å; F109-L123 HydrophobicContact CD1-CD2 4.21Å; F109-L123 HydrophobicContact CD2-CD1 4.49Å; F109-L123 HydrophobicContact CE1-CD2 4.5Å; F109-L123 HydrophobicContact CE2-CD1 4.49Å; F109-L123 HydrophobicContact CG-CD2 4.42Å; F109-I127 HydrophobicContact CE2-CD1 4.3Å; F109-I127 HydrophobicContact CZ-CD1 3.75Å | ||
| 110 | H | 56.6 | Low | 56.1 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | trans | -76.2 | 84.5 | 174.3 | -164.9 | -83.3 | 0 | 0 | 0 | 110.3 | Q112 | H110-Q112 PolarHBondContact O-N 3.29Š| ||
| 111 | L | 63.6 | Low | 57.6 | Low | 20 Ų | 20 | 91 Ų | 91 | 11% | 0.105 | 45% | 0.452 | C | S | . | . | trans | -88.1 | 96.8 | 174.5 | -68.5 | -173.3 | 0 | 0 | 0 | 109.3 | V79 V89 F109 L119 T121 | V79-L111 HydrophobicContact CB-CD1 3.95Å; V79-L111 HydrophobicContact CG1-CD1 3.92Å; V79-L111 HydrophobicContact CG2-CD1 4.13Å; V89-L111 HydrophobicContact CB-CB 4.18Å; V89-L111 HydrophobicContact CB-CD1 4.18Å; V89-L111 HydrophobicContact CB-CG 4.39Å; V89-L111 HydrophobicContact CG2-CB 3.77Å; V89-L111 HydrophobicContact CG2-CD1 3.9Å; V89-L111 HydrophobicContact CG2-CG 4.29Å; F109-L111 VanDerWaalsContact C-N 3.27Å; F109-L111 HydrophobicContact CB-CG 4.2Å; F109-L111 PolarHBondContact O-N 3.34Å; L111-L119 HydrophobicContact CB-CD2 3.64Å; L111-L119 HydrophobicContact CD2-CD2 4.45Å; L111-L119 HydrophobicContact CG-CD2 4.44Å; L111-T121 HydrophobicContact CD1-CG2 3.45Å; L111-T121 VanDerWaalsContact CD1-CG2 3.45Å; L111-T121 HydrophobicContact CD2-CG2 3.61Å; L111-T121 HydrophobicContact CG-CG2 4.14Å | ||
| 112 | Q | 59.6 | Low | 59.1 | Low | 117 Ų | 117 | 86.1 Ų | 86.1 | 55% | 0.547 | 43% | 0.426 | S | S | . | . | trans | -93.3 | 107.6 | 176.7 | -168 | 169 | -7.3 | 0 | 0 | 109.5 | H110 | H110-Q112 PolarHBondContact O-N 3.29Š| ||
| 113 | A | 58.5 | Low | 60.5 | Low | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.033 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 138.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P87 L119 | P87-A113 HydrophobicContact CG-CB 3.73Å; A113-L119 HydrophobicContact CB-CB 3.4Å; A113-L119 VanDerWaalsContact CB-CB 3.4Å; A113-L119 HydrophobicContact CB-CD2 4.1Å; A113-L119 HydrophobicContact CB-CG 4.36Å |
| 114 | D | 64.5 | Low | 61.3 | Low | 113 Ų | 113 | 73.2 Ų | 73.2 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 147.2 | 164.6 | -75 | -33.3 | 0 | 0 | 0 | 110.2 | S116 V117 | D114-S116 PolarHBondContact O-N 3.46Å; D114-V117 HydrophobicContact CB-CB 4.07Å; D114-V117 HydrophobicContact CB-CG2 3.94Å; D114-V117 PolarHBondContact O-N 2.68Å |
| 115 | K | 66.5 | Low | 61.9 | Low | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 129.3 | 179.5 | 176 | 168.1 | -178.3 | 145.7 | 0 | 111.6 | R84 V117 | R84-K115 WeakPolarHBondContact O-CD 3.44Å; R84-K115 WeakPolarHBondContact O-CE 3.49Å; R84-K115 VanDerWaalsContact O-CG 3.28Å; R84-K115 WeakPolarHBondContact O-CG 3.28Å; R84-K115 PolarHBondContact O-NZ 2.88Å; K115-V117 PolarHBondContact O-N 3.43Å |
| 116 | S | 65.4 | Low | 62.6 | Low | 58 Ų | 58 | 76 Ų | 76 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -1.7 | -179.4 | -51.3 | 0 | 0 | 0 | 0 | 115.8 | Q82 L83 D114 | Q82-S116 PolarHBondContact NE2-O 2.98Å; L83-S116 PolarHBondContact O-N 2.85Å; D114-S116 PolarHBondContact O-N 3.46Å |
| 117 | V | 68.1 | Low | 63.2 | Low | 77 Ų | 77 | 74.9 Ų | 74.9 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -92.9 | 126.2 | 175 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | D114 K115 L119 | D114-V117 HydrophobicContact CB-CB 4.07Å; D114-V117 HydrophobicContact CB-CG2 3.94Å; D114-V117 PolarHBondContact O-N 2.68Å; K115-V117 PolarHBondContact O-N 3.43Å; V117-L119 PolarHBondContact O-N 2.82Å |
| 118 | P | 66 | Low | 63.7 | Low | 77 Ų | 77 | 72.6 Ų | 72.6 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 118.7 | 176.4 | 27.1 | -32.4 | 0 | 0 | 0 | 109.4 | L81 Q82 | L81-P118 CarbonylContact O-C 3.54Å; L81-P118 WeakPolarHBondContact O-CA 3.4Å; Q82-P118 HydrophobicContact CB-CB 4.41Å; Q82-P118 HydrophobicContact CG-CB 4.43Å |
| 119 | L | 70.6 | Confident | 64.7 | Low | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.1 | 163.9 | 174.4 | 67.1 | 0 | 0 | 0 | 107.9 | T80 L81 L111 A113 V117 | T80-L119 CarbonylContact C-O 3.58Å; T80-L119 WeakPolarHBondContact CA-O 3.48Å; L81-L119 PolarHBondContact N-O 2.85Å; L81-L119 PolarHBondContact O-N 3.08Å; L111-L119 HydrophobicContact CB-CD2 3.64Å; L111-L119 HydrophobicContact CD2-CD2 4.45Å; L111-L119 HydrophobicContact CG-CD2 4.44Å; A113-L119 HydrophobicContact CB-CB 3.4Å; A113-L119 VanDerWaalsContact CB-CB 3.4Å; A113-L119 HydrophobicContact CB-CD2 4.1Å; A113-L119 HydrophobicContact CB-CG 4.36Å; V117-L119 PolarHBondContact O-N 2.82Å |
| 120 | Q | 71 | Confident | 65.5 | Low | 114 Ų | 114 | 67.2 Ų | 67.2 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.7 | 166.8 | -176.8 | 176.2 | -51.2 | 0 | 0 | 107.8 | R78 V79 | R78-Q120 HydrophobicContact CG-CG 4.08Å; R78-Q120 VanDerWaalsContact CZ-NE2 3.34Å; V79-Q120 WeakPolarHBondContact O-CA 2.95Å |
| 121 | T | 68.8 | Low | 66.7 | Low | 36 Ų | 36 | 63.8 Ų | 63.8 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133 | 178.7 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | R78 V79 L111 | R78-T121 WeakPolarHBondContact CA-O 3.32Å; V79-T121 HydrophobicContact CB-CG2 3.96Å; V79-T121 PolarHBondContact N-O 2.92Å; V79-T121 PolarHBondContact O-N 2.7Å; L111-T121 HydrophobicContact CD1-CG2 3.45Å; L111-T121 VanDerWaalsContact CD1-CG2 3.45Å; L111-T121 HydrophobicContact CD2-CG2 3.61Å; L111-T121 HydrophobicContact CG-CG2 4.14Å |
| 122 | D | 68.6 | Low | 67.5 | Low | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.8 | 167.9 | -63.4 | -32.9 | 0 | 0 | 0 | 107.8 | R77 R78 F175 | R77-D122 CarbonylContact O-C 3.34Å; R77-D122 VanDerWaalsContact O-CA 3.28Å; R77-D122 WeakPolarHBondContact O-CA 3.38Å; R78-D122 IonicContact CZ-OD1 2.68Å; R78-D122 VanDerWaalsContact CZ-OD1 3.26Å; R78-D122 IonicContact NE-OD1 3.75Å; R78-D122 PolarHBondContact NE-OD1 2.78Å; R78-D122 IonicContact NH2-OD1 3.85Å; R78-D122 PolarHBondContact NH2-OD1 3.07Å; R78-D122 IonicContact NH2-OD2 3.67Å; R78-D122 PolarHBondContact NH2-OD2 2.85Å; R78-D122 VanDerWaalsContact NH2-OD2 3.11Å; D122-F175 WeakPolarHBondContact OD1-CE1 3.08Å |
| 123 | L | 66.3 | Low | 68.5 | Low | 18 Ų | 18 | 58.5 Ų | 58.5 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | trans | -98.1 | 127.1 | 176.2 | -65.2 | -176.6 | 0 | 0 | 0 | 109 | L76 R77 F109 | L76-L123 HydrophobicContact CB-CD1 4.09Å; L76-L123 HydrophobicContact CD2-CD1 3.42Å; L76-L123 VanDerWaalsContact CD2-CD1 3.42Å; L76-L123 HydrophobicContact CG-CD1 3.56Å; L76-L123 WeakPolarHBondContact O-CB 3.47Å; R77-L123 PolarHBondContact O-N 2.92Å; F109-L123 HydrophobicContact CD1-CD2 4.21Å; F109-L123 HydrophobicContact CD2-CD1 4.49Å; F109-L123 HydrophobicContact CE1-CD2 4.5Å; F109-L123 HydrophobicContact CE2-CD1 4.49Å; F109-L123 HydrophobicContact CG-CD2 4.42Å | ||
| 124 | P | 57.6 | Low | 69.6 | Low | 116 Ų | 116 | 58.5 Ų | 58.5 | 75% | 0.753 | 31% | 0.314 | S | S | * | . | trans | -80.1 | -20.7 | -175.8 | 30.3 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 125 | E | 57.4 | Low | 70.1 | Confident | 109 Ų | 109 | 54.2 Ų | 54.2 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | trans | -95.9 | 129.3 | -172.4 | -68.5 | -179.5 | 172.2 | 0 | 0 | 112 | I127 | E125-I127 HydrophobicContact CB-CD1 3.55Å; E125-I127 HydrophobicContact CB-CG1 3.76Å; E125-I127 PolarHBondContact O-N 2.95Å | ||
| 126 | E | 63.3 | Low | 70.1 | Confident | 112 Ų | 112 | 48.1 Ų | 48.1 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | trans | -86.4 | 88.9 | 175.3 | -56.9 | -172.8 | 162.5 | 0 | 0 | 108.7 | D75 R77 H156 | D75-E126 WeakPolarHBondContact OD1-CA 3.48Å; R77-E126 IonicContact CZ-OE1 3.95Å; R77-E126 IonicContact NH1-OE1 3.64Å; R77-E126 PolarHBondContact NH1-OE1 3.5Å; R77-E126 IonicContact NH2-OE1 3.64Å; R77-E126 PolarHBondContact NH2-OE1 2.79Å; R77-E126 IonicContact NH2-OE2 2.83Å; E126-H156 PolarHBondContact O-CE1 2.86Å | ||
| 127 | I | 63.3 | Low | 70.1 | Confident | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | trans | -114.3 | 130.4 | -175.1 | -50.4 | 144.2 | 0 | 0 | 0 | 108.4 | D75 T93 E107 F109 E125 I129 | D75-I127 PolarHBondContact OD1-N 3.21Å; T93-I127 HydrophobicContact CG2-CB 4.26Å; T93-I127 HydrophobicContact CG2-CG2 3.26Å; E107-I127 WeakPolarHBondContact OE2-CD1 3.43Å; F109-I127 HydrophobicContact CE2-CD1 4.3Å; F109-I127 HydrophobicContact CZ-CD1 3.75Å; E125-I127 HydrophobicContact CB-CD1 3.55Å; E125-I127 HydrophobicContact CB-CG1 3.76Å; E125-I127 PolarHBondContact O-N 2.95Å; I127-I129 WeakPolarHBondContact O-CD1 3.26Å; I127-I129 VanDerWaalsContact O-CG1 3.3Å; I127-I129 WeakPolarHBondContact O-CG1 3.28Å; I127-I129 PolarHBondContact O-N 2.71Å; I127-I129 VanDerWaalsContact O-N 3.08Å | ||
| 128 | P | 67.8 | Low | 69.9 | Low | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 111.4 | -179.3 | 20.6 | -21.3 | 0 | 0 | 0 | 110.3 | T73 T93 R94 V96 H156 | T73-P128 HydrophobicContact CG2-CB 4.24Å; T93-P128 WeakPolarHBondContact CA-O 3.44Å; T93-P128 WeakPolarHBondContact CB-O 3.26Å; R94-P128 PolarHBondContact N-O 3.25Å; V96-P128 HydrophobicContact CG2-CG 3.69Å; P128-H156 HydrophobicContact CB-CB 4.37Å; P128-H156 WeakPolarHBondContact CD-CE1 3.12Å; P128-H156 WeakPolarHBondContact CG-NE2 3.3Å |
| 129 | I | 75.1 | Confident | 69.6 | Low | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.3 | -177.8 | -63 | 151.5 | 0 | 0 | 0 | 109 | V74 L76 V91 T93 I127 T131 I132 | V74-I129 WeakPolarHBondContact CG2-O 3.43Å; V74-I129 PolarHBondContact N-O 3.25Å; V74-I129 WeakPolarHBondContact O-CB 3.48Å; V74-I129 PolarHBondContact O-N 3.47Å; L76-I129 HydrophobicContact CB-CD1 3.55Å; V91-I129 HydrophobicContact CG1-CB 4.48Å; V91-I129 HydrophobicContact CG1-CD1 3.4Å; V91-I129 HydrophobicContact CG1-CG1 3.6Å; V91-I129 HydrophobicContact CG1-CG2 4Å; T93-I129 HydrophobicContact CG2-CG1 3.96Å; I127-I129 WeakPolarHBondContact O-CD1 3.26Å; I127-I129 VanDerWaalsContact O-CG1 3.3Å; I127-I129 WeakPolarHBondContact O-CG1 3.28Å; I127-I129 PolarHBondContact O-N 2.71Å; I127-I129 VanDerWaalsContact O-N 3.08Å; I129-T131 WeakPolarHBondContact CG2-O 3.48Å; I129-I132 HydrophobicContact CG2-CG1 3.79Å |
| 130 | E | 77.6 | Confident | 69.7 | Low | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -17.4 | 167.6 | -68.9 | 178.7 | 179.2 | 0 | 0 | 111.1 | R69 F70 T73 R94 | R69-E130 WeakPolarHBondContact CA-O 3.43Å; F70-E130 PolarHBondContact N-O 3.21Å; T73-E130 HydrophobicContact CG2-CG 3.84Å; R94-E130 WeakPolarHBondContact CD-OE1 3.49Å; R94-E130 IonicContact CZ-OE1 3.63Å; R94-E130 IonicContact NE-OE1 3.11Å; R94-E130 IonicContact NH1-OE1 3.19Å; R94-E130 PolarHBondContact NH1-OE1 3.07Å; R94-E130 IonicContact NH1-OE2 2.71Å |
| 131 | T | 80.4 | Confident | 70.1 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 130.2 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | R67 L68 R69 F92 I129 L133 | R67-T131 HydrophobicContact CG-CG2 3.82Å; L68-T131 CarbonylContact O-C 3.54Å; L68-T131 VanDerWaalsContact O-CA 3.26Å; L68-T131 WeakPolarHBondContact O-CA 3.35Å; R69-T131 HydrophobicContact CG-CG2 4.17Å; F92-T131 CarbonylContact C-O 3.47Å; F92-T131 WeakPolarHBondContact CA-O 3.44Å; F92-T131 PolarHBondContact N-O 3.02Å; I129-T131 WeakPolarHBondContact CG2-O 3.48Å; T131-L133 HydrophobicContact CG2-CD2 3.84Å; T131-L133 HydrophobicContact CG2-CG 4.42Å |
| 132 | I | 81.4 | Confident | 70.7 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.2 | 170.1 | -60.2 | 162.4 | 0 | 0 | 0 | 107.8 | R67 L68 F70 L76 V89 V91 I129 F151 V153 | R67-I132 CarbonylContact C-O 3.51Å; R67-I132 WeakPolarHBondContact CA-O 3.43Å; L68-I132 HydrophobicContact CB-CB 4.3Å; L68-I132 HydrophobicContact CD2-CD1 4.3Å; L68-I132 PolarHBondContact N-O 2.83Å; L68-I132 PolarHBondContact O-N 2.58Å; F70-I132 HydrophobicContact CE2-CD1 3.79Å; F70-I132 HydrophobicContact CE2-CG1 4.19Å; F70-I132 HydrophobicContact CZ-CD1 3.96Å; L76-I132 HydrophobicContact CD1-CD1 3.84Å; L76-I132 HydrophobicContact CD2-CD1 3.83Å; L76-I132 HydrophobicContact CD2-CG1 4.33Å; L76-I132 HydrophobicContact CG-CD1 4.28Å; V89-I132 HydrophobicContact CG1-CG2 4.27Å; V91-I132 HydrophobicContact CG1-CG1 4.39Å; V91-I132 HydrophobicContact CG2-CG2 4.3Å; I129-I132 HydrophobicContact CG2-CG1 3.79Å; I132-F151 HydrophobicContact CD1-CD1 3.92Å; I132-F151 HydrophobicContact CD1-CG 4.35Å; I132-F151 HydrophobicContact CG2-CD1 4.21Å; I132-F151 HydrophobicContact CG2-CE1 3.7Å; I132-F151 HydrophobicContact CG2-CZ 4.14Å; I132-V153 HydrophobicContact CD1-CG1 4.44Å |
| 133 | L | 80.5 | Confident | 71.4 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.8 | 169.4 | -53.9 | -173 | 0 | 0 | 0 | 110.4 | L65 L66 R67 R90 F92 T131 | L65-L133 HydrophobicContact CD1-CB 4.5Å; L65-L133 HydrophobicContact CD1-CD1 4.23Å; L65-L133 HydrophobicContact CD1-CD2 3.87Å; L65-L133 HydrophobicContact CD1-CG 4.43Å; L66-L133 CarbonylContact O-C 3.51Å; L66-L133 VanDerWaalsContact O-CA 3.24Å; L66-L133 WeakPolarHBondContact O-CA 3.22Å; R67-L133 HydrophobicContact CB-CD2 3.48Å; R67-L133 VanDerWaalsContact CB-CD2 3.48Å; R67-L133 HydrophobicContact CG-CD2 3.41Å; R67-L133 VanDerWaalsContact CG-CD2 3.41Å; R90-L133 CarbonylContact C-O 3.56Å; R90-L133 HydrophobicContact CB-CB 4.47Å; R90-L133 PolarHBondContact N-O 2.86Å; R90-L133 CarbonylContact O-C 3.52Å; R90-L133 WeakPolarHBondContact O-CA 3.46Å; R90-L133 PolarHBondContact O-N 2.03Å; F92-L133 HydrophobicContact CD2-CB 4.06Å; F92-L133 HydrophobicContact CD2-CD1 3.75Å; F92-L133 HydrophobicContact CD2-CG 3.53Å; F92-L133 HydrophobicContact CE1-CD1 4.48Å; F92-L133 HydrophobicContact CE2-CB 3.72Å; F92-L133 HydrophobicContact CE2-CD1 3.22Å; F92-L133 HydrophobicContact CE2-CG 3.41Å; F92-L133 VanDerWaalsContact CE2-CG 3.41Å; F92-L133 HydrophobicContact CZ-CD1 3.64Å; F92-L133 HydrophobicContact CZ-CG 4.32Å; T131-L133 HydrophobicContact CG2-CD2 3.84Å; T131-L133 HydrophobicContact CG2-CG 4.42Å |
| 134 | L | 80.9 | Confident | 72.2 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.9 | 168.5 | -172 | 72.2 | 0 | 0 | 0 | 107.8 | L65 L66 L81 L83 P87 V89 L141 I149 | L65-L134 CarbonylContact C-O 3.59Å; L65-L134 VanDerWaalsContact CA-O 3.27Å; L65-L134 WeakPolarHBondContact CA-O 3.3Å; L65-L134 VanDerWaalsContact CB-O 3.29Å; L65-L134 WeakPolarHBondContact CB-O 3.09Å; L66-L134 HydrophobicContact CB-CB 4.1Å; L66-L134 HydrophobicContact CD1-CD2 3.9Å; L66-L134 PolarHBondContact N-O 3.06Å; L66-L134 PolarHBondContact O-N 2.9Å; L81-L134 HydrophobicContact CD1-CD1 3.81Å; L81-L134 HydrophobicContact CD2-CD1 4.26Å; L81-L134 HydrophobicContact CD2-CD2 4.08Å; L83-L134 HydrophobicContact CD1-CD2 4.25Å; P87-L134 HydrophobicContact CB-CD1 4.12Å; V89-L134 HydrophobicContact CB-CD1 4.13Å; V89-L134 HydrophobicContact CG2-CD1 3.33Å; L134-L141 VanDerWaalsContact C-CD1 3.46Å; L134-L141 HydrophobicContact CB-CD1 4.09Å; L134-L141 HydrophobicContact CD2-CD1 3.93Å; L134-L141 HydrophobicContact CG-CD1 3.61Å; L134-L141 VanDerWaalsContact O-CD1 3.25Å; L134-L141 WeakPolarHBondContact O-CD1 3.49Å; L134-I149 HydrophobicContact CD2-CG2 3.98Å |
| 135 | Q | 75 | Confident | 73.4 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147 | 176.5 | -165.3 | -171.7 | -34.5 | 0 | 0 | 109.2 | T88 R90 | T88-Q135 CarbonylContact C-O 3.58Å; T88-Q135 WeakPolarHBondContact CA-O 3.43Å; T88-Q135 PolarHBondContact N-O 3.13Å; T88-Q135 CarbonylContact O-C 3.44Å; T88-Q135 PolarHBondContact O-N 2.99Å; R90-Q135 VanDerWaalsContact NH1-OE1 3.13Å |
| 136 | G | 67.5 | Low | 74.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 142.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | D138 A139 | G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.52Å; G136-A139 WeakPolarHBondContact CA-O 3.37Å |
| 137 | F | 64.4 | Low | 75.7 | Confident | 117 Ų | 117 | 39.5 Ų | 39.5 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -54.8 | -47.2 | -178.3 | -176.9 | -99.7 | 0 | 0 | 0 | 111.9 | N86 T88 | N86-F137 PolarHBondContact O-N 3.28Å; N86-F137 VanDerWaalsContact O-N 3.17Å; T88-F137 WeakPolarHBondContact OG1-CA 3.26Å |
| 138 | D | 63.8 | Low | 76.7 | Confident | 153 Ų | 153 | 41 Ų | 41 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -123.1 | 4.4 | 177 | -68.5 | -38.5 | 0 | 0 | 0 | 113.3 | G136 | G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.52Å |
| 139 | A | 59.7 | Low | 77.5 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 31% | 0.306 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -132.4 | 153.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V85 G136 L141 | V85-A139 HydrophobicContact CG1-CB 4.21Å; G136-A139 WeakPolarHBondContact CA-O 3.37Å; A139-L141 PolarHBondContact O-N 2.77Å |
| 140 | Q | 73.2 | Confident | 78 | Confident | 87 Ų | 87 | 42 Ų | 42 | 41% | 0.407 | 22% | 0.217 | S | C | . | . | trans | -67.4 | 123.2 | 163.5 | -68 | -176.8 | 10 | 0 | 0 | 108.7 | R64 T142 | R64-Q140 HydrophobicContact CB-CB 3.79Å; R64-Q140 HydrophobicContact CB-CG 4.06Å; R64-Q140 VanDerWaalsContact CD-OE1 3.29Å; R64-Q140 HydrophobicContact CG-CB 3.95Å; R64-Q140 HydrophobicContact CG-CG 3.82Å; R64-Q140 VanDerWaalsContact NE-OE1 3.16Å; R64-Q140 VanDerWaalsContact NH1-OE1 3.14Å; Q140-T142 HydrophobicContact CB-CG2 4.21Å; Q140-T142 PolarHBondContact O-N 3.49Å | ||
| 141 | L | 79.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -77.3 | 91 | 169.8 | -78.1 | 165.6 | 0 | 0 | 0 | 109.2 | Q57 R64 L83 V85 L134 A139 | Q57-L141 PolarHBondContact NE2-O 2.89Å; R64-L141 PolarHBondContact O-N 3.36Å; L83-L141 HydrophobicContact CD1-CD2 3.8Å; V85-L141 HydrophobicContact CG2-CD2 4.06Å; L134-L141 VanDerWaalsContact C-CD1 3.46Å; L134-L141 HydrophobicContact CB-CD1 4.09Å; L134-L141 HydrophobicContact CD2-CD1 3.93Å; L134-L141 HydrophobicContact CG-CD1 3.61Å; L134-L141 VanDerWaalsContact O-CD1 3.25Å; L134-L141 WeakPolarHBondContact O-CD1 3.49Å; A139-L141 PolarHBondContact O-N 2.77Å | ||
| 142 | T | 81.8 | Confident | 78.2 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 14% | 0.135 | 20% | 0.199 | C | C | . | . | trans | -88 | 165.8 | 173.4 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | Q140 D144 E145 I146 | Q140-T142 HydrophobicContact CB-CG2 4.21Å; Q140-T142 PolarHBondContact O-N 3.49Å; T142-D144 VanDerWaalsContact C-N 3.27Å; T142-D144 WeakPolarHBondContact CB-OD1 3.38Å; T142-D144 PolarHBondContact O-N 2.94Å; T142-D144 PolarHBondContact OG1-OD1 3.18Å; T142-E145 WeakPolarHBondContact O-CB 3.26Å; T142-E145 PolarHBondContact O-N 2.89Å; T142-E145 WeakPolarHBondContact OG1-CG 3.43Å; T142-I146 WeakPolarHBondContact O-CG1 3.24Å | ||
| 143 | H | 82.4 | Confident | 78.1 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -62.4 | -35.5 | -175.9 | 59 | -85.7 | 0 | 0 | 0 | 112 | G37 F40 E145 I146 | G37-H143 WeakPolarHBondContact CA-O 3.07Å; F40-H143 HydrophobicContact CB-CB 4.21Å; H143-E145 VanDerWaalsContact C-N 3.26Å; H143-E145 PolarHBondContact O-N 3.08Å; H143-I146 PolarHBondContact O-N 2.95Å |
| 144 | D | 84.1 | Confident | 77.8 | Confident | 74 Ų | 74 | 37.6 Ų | 37.6 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -69.9 | -19.1 | 177.9 | 59 | -49.7 | 0 | 0 | 0 | 114.3 | R84 T142 | R84-D144 WeakPolarHBondContact CD-O 3.5Å; R84-D144 PolarHBondContact NH1-O 2.69Å; T142-D144 VanDerWaalsContact C-N 3.27Å; T142-D144 WeakPolarHBondContact CB-OD1 3.38Å; T142-D144 PolarHBondContact O-N 2.94Å; T142-D144 PolarHBondContact OG1-OD1 3.18Å |
| 145 | E | 83.2 | Confident | 77.2 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -82.8 | -18.5 | 175.4 | -69 | -61 | 146.3 | 0 | 0 | 112.7 | L83 R84 V85 T142 H143 | L83-E145 CarbonylContact C-O 3.56Å; L83-E145 VanDerWaalsContact CA-O 3.27Å; L83-E145 WeakPolarHBondContact CA-O 3.38Å; R84-E145 VanDerWaalsContact C-OE2 3.25Å; R84-E145 WeakPolarHBondContact CB-OE2 3.42Å; R84-E145 PolarHBondContact N-O 2.97Å; V85-E145 HydrophobicContact CG1-CG 4.45Å; V85-E145 WeakPolarHBondContact CG1-OE2 3.24Å; V85-E145 HydrophobicContact CG2-CB 4.16Å; V85-E145 HydrophobicContact CG2-CG 4.37Å; V85-E145 PolarHBondContact N-OE2 2.87Å; T142-E145 WeakPolarHBondContact O-CB 3.26Å; T142-E145 PolarHBondContact O-N 2.89Å; T142-E145 WeakPolarHBondContact OG1-CG 3.43Å; H143-E145 VanDerWaalsContact C-N 3.26Å; H143-E145 PolarHBondContact O-N 3.08Å |
| 146 | I | 83 | Confident | 76.6 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 104.6 | -175.2 | -58.7 | 159.9 | 0 | 0 | 0 | 110.3 | G37 F40 L66 L83 T142 H143 I149 | G37-I146 VanDerWaalsContact CA-O 3.26Å; G37-I146 WeakPolarHBondContact CA-O 3.1Å; G37-I146 PolarHBondContact N-O 2.93Å; F40-I146 HydrophobicContact CD2-CD1 3.91Å; F40-I146 HydrophobicContact CE2-CD1 3.93Å; F40-I146 HydrophobicContact CE2-CG2 4.47Å; L66-I146 HydrophobicContact CD1-CD1 3.48Å; L66-I146 VanDerWaalsContact CD1-CD1 3.48Å; L66-I146 HydrophobicContact CD1-CG1 4.15Å; L66-I146 HydrophobicContact CD2-CD1 3.91Å; L66-I146 HydrophobicContact CG-CD1 4.15Å; L83-I146 HydrophobicContact CD2-CB 4.16Å; L83-I146 HydrophobicContact CD2-CG1 4.01Å; L83-I146 HydrophobicContact CD2-CG2 4.2Å; T142-I146 WeakPolarHBondContact O-CG1 3.24Å; H143-I146 PolarHBondContact O-N 2.95Å; I146-I149 HydrophobicContact CG2-CG1 4.29Å; I146-I149 HydrophobicContact CG2-CG2 3.98Å |
| 147 | L | 85 | Confident | 76 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -45.5 | 173.1 | -53.2 | 176.3 | 0 | 0 | 0 | 110.6 | R36 Q82 R84 | R36-L147 WeakPolarHBondContact CG-O 3.48Å; Q82-L147 HydrophobicContact CB-CB 4.2Å; Q82-L147 HydrophobicContact CG-CB 4.18Å; Q82-L147 HydrophobicContact CG-CD1 4.05Å; Q82-L147 WeakPolarHBondContact O-CA 3.35Å; Q82-L147 WeakPolarHBondContact O-CB 3.31Å; Q82-L147 PolarHBondContact O-N 2.77Å; R84-L147 HydrophobicContact CG-CD1 4.09Å; R84-L147 HydrophobicContact CG-CD2 4Å; R84-L147 HydrophobicContact CG-CG 4.1Å |
| 148 | L | 85.2 | Confident | 75.2 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 135.5 | 175.6 | 178.9 | 68.3 | 0 | 0 | 0 | 109.4 | R36 T80 Q82 | R36-L148 HydrophobicContact CG-CD1 4.45Å; T80-L148 HydrophobicContact CG2-CD2 4.16Å; Q82-L148 HydrophobicContact CB-CB 3.96Å; Q82-L148 PolarHBondContact N-O 2.79Å; Q82-L148 PolarHBondContact O-N 3.11Å |
| 149 | I | 84.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 142.4 | 157.8 | 56.7 | 163.6 | 0 | 0 | 0 | 108.7 | G34 A35 F40 L55 L66 T80 L81 L83 L134 I146 F151 | G34-I149 CarbonylContact C-O 3.46Å; G34-I149 WeakPolarHBondContact CA-O 3.44Å; A35-I149 HydrophobicContact CB-CG1 4.23Å; A35-I149 PolarHBondContact N-O 2.78Å; A35-I149 VanDerWaalsContact O-CG1 3.31Å; A35-I149 WeakPolarHBondContact O-CG1 3.17Å; A35-I149 PolarHBondContact O-N 3.11Å; F40-I149 HydrophobicContact CE2-CD1 3.84Å; F40-I149 HydrophobicContact CE2-CG1 4.34Å; F40-I149 HydrophobicContact CZ-CD1 3.88Å; L55-I149 HydrophobicContact CD1-CD1 3.93Å; L55-I149 HydrophobicContact CD2-CD1 3.64Å; L55-I149 HydrophobicContact CD2-CG1 4.49Å; L55-I149 HydrophobicContact CG-CD1 4.32Å; L66-I149 HydrophobicContact CD1-CD1 3.68Å; T80-I149 CarbonylContact O-C 3.54Å; T80-I149 WeakPolarHBondContact O-CA 3.46Å; L81-I149 HydrophobicContact CD2-CB 3.97Å; L81-I149 HydrophobicContact CD2-CG2 3.53Å; L83-I149 HydrophobicContact CD2-CG2 4.1Å; L134-I149 HydrophobicContact CD2-CG2 3.98Å; I146-I149 HydrophobicContact CG2-CG1 4.29Å; I146-I149 HydrophobicContact CG2-CG2 3.98Å; I149-F151 HydrophobicContact CB-CE2 4.28Å; I149-F151 HydrophobicContact CD1-CE2 4.2Å |
| 150 | N | 84.9 | Confident | 73.2 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 128.4 | 172.8 | -168.7 | -7.3 | 0 | 0 | 0 | 109.5 | S32 Y33 T80 | S32-N150 VanDerWaalsContact CB-OD1 3.32Å; S32-N150 WeakPolarHBondContact CB-OD1 3.26Å; Y33-N150 PolarHBondContact N-OD1 3.06Å; Y33-N150 WeakPolarHBondContact O-CA 3.29Å; T80-N150 PolarHBondContact N-O 3.34Å; T80-N150 PolarHBondContact O-N 2.67Å |
| 151 | F | 83.7 | Confident | 71.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.1 | 175.1 | -62.3 | -88.1 | 0 | 0 | 0 | 108.3 | S32 Y33 L68 L76 R78 V79 L81 I132 I149 V153 | S32-F151 CarbonylContact C-O 3.57Å; S32-F151 WeakPolarHBondContact CA-O 3.15Å; Y33-F151 PolarHBondContact N-O 2.81Å; Y33-F151 PolarHBondContact O-N 2.89Å; L68-F151 HydrophobicContact CD2-CB 3.74Å; L68-F151 HydrophobicContact CD2-CD2 3.69Å; L68-F151 HydrophobicContact CD2-CG 3.82Å; L76-F151 HydrophobicContact CD1-CB 4.18Å; L76-F151 HydrophobicContact CD1-CD1 4.01Å; R78-F151 WeakPolarHBondContact O-CA 3.21Å; V79-F151 HydrophobicContact CG1-CD1 4.27Å; V79-F151 HydrophobicContact CG1-CE1 3.89Å; V79-F151 HydrophobicContact CG2-CD1 3.88Å; V79-F151 HydrophobicContact CG2-CE1 4.06Å; L81-F151 HydrophobicContact CD2-CZ 4.09Å; I132-F151 HydrophobicContact CD1-CD1 3.92Å; I132-F151 HydrophobicContact CD1-CG 4.35Å; I132-F151 HydrophobicContact CG2-CD1 4.21Å; I132-F151 HydrophobicContact CG2-CE1 3.7Å; I132-F151 HydrophobicContact CG2-CZ 4.14Å; I149-F151 HydrophobicContact CB-CE2 4.28Å; I149-F151 HydrophobicContact CD1-CE2 4.2Å; F151-V153 HydrophobicContact CB-CG1 4.49Å |
| 152 | T | 79.2 | Confident | 69.6 | Low | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.9 | 169.4 | -50.8 | 0 | 0 | 0 | 0 | 108 | R31 S32 R77 R78 F175 | R31-T152 WeakPolarHBondContact O-CA 3.19Å; S32-T152 PolarHBondContact OG-OG1 2.73Å; R77-T152 PolarHBondContact N-O 3.3Å; R78-T152 PolarHBondContact N-O 3.43Å; R78-T152 PolarHBondContact O-N 2.79Å; T152-F175 HydrophobicContact CG2-CZ 4.44Å |
| 153 | V | 78 | Confident | 67.6 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.2 | 177.1 | -50 | 0 | 0 | 0 | 0 | 109.6 | C30 R31 Y33 F70 V74 D75 L76 I132 F151 | C30-V153 CarbonylContact C-O 3.51Å; C30-V153 WeakPolarHBondContact CA-O 3.31Å; C30-V153 WeakPolarHBondContact CB-O 3.07Å; R31-V153 PolarHBondContact N-O 2.81Å; R31-V153 PolarHBondContact O-N 2.68Å; Y33-V153 HydrophobicContact CD2-CG2 3.91Å; Y33-V153 HydrophobicContact CE2-CG2 3.43Å; Y33-V153 VanDerWaalsContact CE2-CG2 3.43Å; F70-V153 HydrophobicContact CD1-CG2 4.47Å; F70-V153 HydrophobicContact CE1-CG1 4.2Å; F70-V153 HydrophobicContact CE1-CG2 3.84Å; F70-V153 HydrophobicContact CE2-CG1 4.32Å; F70-V153 HydrophobicContact CZ-CB 4.43Å; F70-V153 HydrophobicContact CZ-CG1 3.64Å; F70-V153 HydrophobicContact CZ-CG2 4.11Å; V74-V153 HydrophobicContact CB-CB 3.91Å; V74-V153 HydrophobicContact CB-CG2 3.94Å; V74-V153 HydrophobicContact CG1-CG2 4.01Å; V74-V153 HydrophobicContact CG2-CB 3.8Å; V74-V153 HydrophobicContact CG2-CG1 4.09Å; V74-V153 HydrophobicContact CG2-CG2 3.92Å; D75-V153 CarbonylContact O-C 3.49Å; D75-V153 WeakPolarHBondContact O-CA 3.4Å; D75-V153 VanDerWaalsContact O-CB 3.3Å; D75-V153 WeakPolarHBondContact O-CB 3.33Å; L76-V153 HydrophobicContact CB-CG1 4.48Å; L76-V153 HydrophobicContact CD1-CG1 3.72Å; I132-V153 HydrophobicContact CD1-CG1 4.44Å; F151-V153 HydrophobicContact CB-CG1 4.49Å |
| 154 | C | 73.7 | Confident | 65.5 | Low | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 162.8 | 176 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | Y29 C30 V74 D75 R77 C177 | Y29-C154 HydrophobicContact CD1-CB 3.83Å; Y29-C154 HydrophobicContact CE1-CB 3.65Å; Y29-C154 CarbonylContact O-C 3.45Å; Y29-C154 WeakPolarHBondContact O-CA 3.02Å; C30-C154 HydrophobicContact CB-CB 4.14Å; C30-C154 WeakPolarHBondContact CB-SG 3.38Å; C30-C154 WeakPolarHBondContact SG-CB 3.22Å; C30-C154 CovalentContact SG-SG 2.03Å; C30-C154 PolarHBondContact SG-SG 3.3Å; V74-C154 CarbonylContact C-O 3.51Å; V74-C154 WeakPolarHBondContact CA-O 3.29Å; V74-C154 WeakPolarHBondContact CB-O 3.27Å; D75-C154 PolarHBondContact N-O 2.79Å; D75-C154 PolarHBondContact O-N 3.26Å; R77-C154 HydrophobicContact CG-CB 4.24Å; R77-C154 VanDerWaalsContact CG-SG 3.53Å; C154-C177 PolarHBondContact SG-SG 3.05Å |
| 155 | A | 68.4 | Low | 63.5 | Low | 26 Ų | 26 | 46.2 Ų | 46.2 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 152.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y29 | Y29-A155 HydrophobicContact CD2-CB 4.01Å; Y29-A155 HydrophobicContact CE1-CB 4.42Å; Y29-A155 HydrophobicContact CE2-CB 3.26Å; Y29-A155 VanDerWaalsContact CZ-O 3.25Å; Y29-A155 PolarHBondContact O-N 2.94Å; Y29-A155 VanDerWaalsContact O-N 3.13Å; Y29-A155 PolarHBondContact OH-O 3.08Å |
| 156 | H | 63.3 | Low | 61.5 | Low | 58 Ų | 58 | 47.7 Ų | 47.7 | 27% | 0.269 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -77.6 | -24.2 | -179 | -179.8 | 63.2 | 0 | 0 | 0 | 113 | T73 D75 E126 P128 | T73-H156 PolarHBondContact O-N 3.49Å; D75-H156 IonicContact OD1-CE1 3.88Å; D75-H156 IonicContact OD1-CG 3.9Å; D75-H156 IonicContact OD1-ND1 2.79Å; D75-H156 PolarHBondContact OD1-ND1 3.49Å; E126-H156 PolarHBondContact O-CE1 2.86Å; P128-H156 HydrophobicContact CB-CB 4.37Å; P128-H156 WeakPolarHBondContact CD-CE1 3.12Å; P128-H156 WeakPolarHBondContact CG-NE2 3.3Å |
| 157 | D | 54.1 | Low | 59.5 | Low | 92 Ų | 92 | 52.9 Ų | 52.9 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | trans | -144.7 | 86.7 | -176.7 | -172.8 | 5 | 0 | 0 | 0 | 111.7 | Q159 G160 | D157-Q159 VanDerWaalsContact C-N 3.26Å; D157-Q159 PolarHBondContact OD1-N 2.69Å; D157-G160 PolarHBondContact OD1-N 2.05Å | ||
| 158 | C | 48.1 | Very low | 57.7 | Low | 21 Ų | 21 | 52.5 Ų | 52.5 | 14% | 0.142 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -71.7 | -21.8 | 169.5 | 20.9 | 0 | 0 | 0 | 0 | 112.7 | Y29 | Y29-C158 HydrophobicContact CD2-CB 4.03Å; Y29-C158 HydrophobicContact CE1-CB 4.31Å; Y29-C158 VanDerWaalsContact CE1-SG 3.59Å; Y29-C158 HydrophobicContact CE2-CB 3.22Å; Y29-C158 VanDerWaalsContact CZ-CB 3.4Å; Y29-C158 WeakPolarHBondContact OH-CB 3.13Å; Y29-C158 PolarHBondContact OH-N 2.87Å; Y29-C158 PolarHBondContact OH-SG 2.71Å |
| 159 | Q | 43.1 | Very low | 55.9 | Low | 155 Ų | 155 | 56.1 Ų | 56.1 | 72% | 0.724 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -25.8 | -173.7 | -63 | -171.3 | 11.3 | 0 | 0 | 111.9 | D157 V161 | D157-Q159 VanDerWaalsContact C-N 3.26Å; D157-Q159 PolarHBondContact OD1-N 2.69Å; Q159-V161 VanDerWaalsContact C-N 3.32Å; Q159-V161 PolarHBondContact O-N 3.3Å |
| 160 | G | 38 | Very low | 53.9 | Low | 42 Ų | 42 | 60.6 Ų | 60.6 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D157 P162 | D157-G160 PolarHBondContact OD1-N 2.05Å; G160-P162 WeakPolarHBondContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CG 3.2Å; G160-P162 VanDerWaalsContact O-N 3.12Å |
| 161 | V | 39.1 | Very low | 52.1 | Low | 66 Ų | 66 | 61.9 Ų | 61.9 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -68.5 | 108.5 | 178.5 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | Q159 G163 C164 | Q159-V161 VanDerWaalsContact C-N 3.32Å; Q159-V161 PolarHBondContact O-N 3.3Å; V161-G163 PolarHBondContact O-N 3.45Å; V161-C164 HydrophobicContact CB-CB 4.26Å; V161-C164 HydrophobicContact CG1-CB 4.42Å; V161-C164 PolarHBondContact O-N 3.25Å; V161-C164 VanDerWaalsContact O-N 3.08Å |
| 162 | P | 38.7 | Very low | 50 | Low | 60 Ų | 60 | 65.8 Ų | 65.8 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 122 | -174.6 | -19.6 | 35.8 | 0 | 0 | 0 | 109.9 | G160 L189 | G160-P162 WeakPolarHBondContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CG 3.2Å; G160-P162 VanDerWaalsContact O-N 3.12Å; P162-L189 HydrophobicContact CB-CD1 3.58Å; P162-L189 HydrophobicContact CB-CG 4.43Å; P162-L189 HydrophobicContact CG-CB 4.2Å; P162-L189 HydrophobicContact CG-CD1 3.44Å; P162-L189 VanDerWaalsContact CG-CD1 3.44Å; P162-L189 HydrophobicContact CG-CG 4.34Å |
| 163 | G | 39.1 | Very low | 48.3 | Very low | 25 Ų | 25 | 75.1 Ų | 75.1 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -9.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V161 Y165 | V161-G163 PolarHBondContact O-N 3.45Å; G163-Y165 VanDerWaalsContact C-N 3.32Å; G163-Y165 PolarHBondContact O-N 2.86Å |
| 164 | C | 39.5 | Very low | 46.7 | Very low | 16 Ų | 16 | 80.7 Ų | 80.7 | 11% | 0.108 | 44% | 0.444 | C | S | . | . | trans | -92.7 | 65.8 | 171.1 | -128.2 | 0 | 0 | 0 | 0 | 110.5 | V161 C180 C182 | V161-C164 HydrophobicContact CB-CB 4.26Å; V161-C164 HydrophobicContact CG1-CB 4.42Å; V161-C164 PolarHBondContact O-N 3.25Å; V161-C164 VanDerWaalsContact O-N 3.08Å; C164-C180 HydrophobicContact CB-CB 4.43Å; C164-C180 WeakPolarHBondContact SG-CB 3.5Å; C164-C182 HydrophobicContact CB-CB 4.28Å; C164-C182 WeakPolarHBondContact CB-SG 3.23Å; C164-C182 VanDerWaalsContact SG-CA 3.51Å; C164-C182 WeakPolarHBondContact SG-CB 3.36Å; C164-C182 CovalentContact SG-SG 2.07Å; C164-C182 PolarHBondContact SG-SG 3.15Å | ||
| 165 | Y | 41.5 | Very low | 45.2 | Very low | 204 Ų | 204 | 81.3 Ų | 81.3 | 80% | 0.8 | 45% | 0.447 | S | S | * | . | trans | -96.5 | 111 | 172.7 | -64.8 | -86.3 | 0 | 0 | 0 | 109 | G163 | G163-Y165 VanDerWaalsContact C-N 3.32Å; G163-Y165 PolarHBondContact O-N 2.86Å | ||
| 166 | G | 40.6 | Very low | 43.8 | Very low | 67 Ų | 67 | 82.7 Ų | 82.7 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 138.6 | -43.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 167 | D | 42.6 | Very low | 42.8 | Very low | 115 Ų | 115 | 80 Ų | 80 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | trans | -129.6 | 72.6 | -170.5 | -76.8 | -33.4 | 0 | 0 | 0 | 112 | I181 | D167-I181 PolarHBondContact O-N 3.19Å; D167-I181 VanDerWaalsContact O-N 3.15Å | ||
| 168 | C | 45.5 | Very low | 42.4 | Very low | 44 Ų | 44 | 78.1 Ų | 78.1 | 30% | 0.297 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.4 | 168.5 | -62 | 0 | 0 | 0 | 0 | 109.7 | M178 E179 C180 | C168-M178 HydrophobicContact CB-CB 3.86Å; C168-M178 HydrophobicContact CB-CE 3.94Å; C168-M178 HydrophobicContact CB-CG 4.45Å; C168-M178 HydrophobicContact CB-SD 3.81Å; C168-E179 CarbonylContact C-O 3.45Å; C168-E179 WeakPolarHBondContact CA-O 3.03Å; C168-C180 HydrophobicContact CB-CB 4.19Å; C168-C180 WeakPolarHBondContact CB-SG 3.41Å; C168-C180 WeakPolarHBondContact SG-CB 3.17Å; C168-C180 CovalentContact SG-SG 2.05Å; C168-C180 PolarHBondContact SG-SG 2.69Å |
| 169 | K | 48 | Very low | 42.2 | Very low | 126 Ų | 126 | 80.2 Ų | 80.2 | 55% | 0.548 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.2 | 174 | -70.9 | -179.2 | -177.8 | 171.7 | 0 | 109.9 | L171 M178 E179 | K169-L171 PolarHBondContact O-N 3.47Å; K169-L171 VanDerWaalsContact O-N 3.08Å; K169-M178 CarbonylContact O-C 3.33Å; K169-M178 VanDerWaalsContact O-CA 3.27Å; K169-M178 WeakPolarHBondContact O-CA 3.41Å; K169-E179 PolarHBondContact N-O 2.92Å; K169-E179 PolarHBondContact O-N 3.08Å |
| 170 | P | 43.4 | Very low | 42.3 | Very low | 93 Ų | 93 | 74.1 Ų | 74.1 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 116.3 | 172.5 | 22.6 | -30.2 | 0 | 0 | 0 | 110.6 | C177 | P170-C177 CarbonylContact C-O 3.43Å; P170-C177 WeakPolarHBondContact CA-O 3.4Å |
| 171 | L | 47.3 | Very low | 42.6 | Very low | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -69.4 | -39.1 | 179.6 | -84.8 | 166.8 | 0 | 0 | 0 | 111.5 | K169 C177 E179 | K169-L171 PolarHBondContact O-N 3.47Å; K169-L171 VanDerWaalsContact O-N 3.08Å; L171-C177 HydrophobicContact CB-CB 4.36Å; L171-C177 PolarHBondContact N-O 3.21Å; L171-E179 HydrophobicContact CD1-CB 3.9Å; L171-E179 HydrophobicContact CD1-CG 4.18Å; L171-E179 HydrophobicContact CD2-CB 3.61Å; L171-E179 HydrophobicContact CD2-CG 3.74Å; L171-E179 WeakPolarHBondContact CD2-OE2 3.11Å; L171-E179 HydrophobicContact CG-CB 3.5Å; L171-E179 HydrophobicContact CG-CG 4.07Å |
| 172 | M | 39.8 | Very low | 42.7 | Very low | 87 Ų | 87 | 76.2 Ų | 76.2 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | trans | -137 | 115.9 | -177.7 | -66.8 | -166 | 70.2 | 0 | 0 | 108.2 | D174 F175 | M172-D174 PolarHBondContact O-N 3.5Å; M172-F175 HydrophobicContact CB-CB 4.29Å; M172-F175 HydrophobicContact CB-CD2 3.8Å; M172-F175 HydrophobicContact CE-CD2 3.59Å; M172-F175 HydrophobicContact CE-CE2 3.46Å; M172-F175 VanDerWaalsContact CE-CE2 3.46Å; M172-F175 HydrophobicContact CG-CD2 4.28Å; M172-F175 PolarHBondContact O-N 3.34Å; M172-F175 HydrophobicContact SD-CD2 3.55Å; M172-F175 VanDerWaalsContact SD-CD2 3.55Å; M172-F175 HydrophobicContact SD-CE2 3.77Å | ||
| 173 | K | 42.2 | Very low | 42.9 | Very low | 206 Ų | 206 | 77.2 Ų | 77.2 | 90% | 0.896 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -25.1 | 174 | -100.8 | -176.2 | 173.3 | -178.4 | 0 | 113.1 | ||
| 174 | D | 44.2 | Very low | 43.1 | Very low | 119 Ų | 119 | 85.8 Ų | 85.8 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -4.3 | -170.1 | -56.6 | -25.4 | 0 | 0 | 0 | 114.3 | M172 | M172-D174 PolarHBondContact O-N 3.5Š|
| 175 | F | 43.1 | Very low | 43.2 | Very low | 16 Ų | 16 | 88.8 Ų | 88.8 | 7% | 0.07 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -1.5 | -170.1 | -68.8 | -59.6 | 0 | 0 | 0 | 116.7 | R77 R78 D122 T152 M172 C177 | R77-F175 HydrophobicContact CB-CD1 4.09Å; R78-F175 HydrophobicContact CB-CE1 3.7Å; R78-F175 HydrophobicContact CB-CZ 4.03Å; R78-F175 HydrophobicContact CG-CE1 4.28Å; R78-F175 HydrophobicContact CG-CZ 4.45Å; R78-F175 VanDerWaalsContact NH2-CZ 3.27Å; D122-F175 WeakPolarHBondContact OD1-CE1 3.08Å; T152-F175 HydrophobicContact CG2-CZ 4.44Å; M172-F175 HydrophobicContact CB-CB 4.29Å; M172-F175 HydrophobicContact CB-CD2 3.8Å; M172-F175 HydrophobicContact CE-CD2 3.59Å; M172-F175 HydrophobicContact CE-CE2 3.46Å; M172-F175 VanDerWaalsContact CE-CE2 3.46Å; M172-F175 HydrophobicContact CG-CD2 4.28Å; M172-F175 PolarHBondContact O-N 3.34Å; M172-F175 HydrophobicContact SD-CD2 3.55Å; M172-F175 VanDerWaalsContact SD-CD2 3.55Å; M172-F175 HydrophobicContact SD-CE2 3.77Å; F175-C177 WeakPolarHBondContact CB-SG 3.12Å; F175-C177 PolarHBondContact O-N 2.89Å; F175-C177 PolarHBondContact O-SG 2.87Å |
| 176 | G | 39.2 | Very low | 43 | Very low | 54 Ų | 54 | 81 Ų | 81 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | trans | 73 | 5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 177 | C | 42.4 | Very low | 42.7 | Very low | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | trans | -75.3 | 139.7 | -177.6 | -39.2 | 0 | 0 | 0 | 0 | 111.2 | Y29 C30 C154 P170 L171 F175 | Y29-C177 HydrophobicContact CD1-CB 4.25Å; C30-C177 WeakPolarHBondContact SG-CB 3.13Å; C30-C177 PolarHBondContact SG-SG 2.99Å; C154-C177 PolarHBondContact SG-SG 3.05Å; P170-C177 CarbonylContact C-O 3.43Å; P170-C177 WeakPolarHBondContact CA-O 3.4Å; L171-C177 HydrophobicContact CB-CB 4.36Å; L171-C177 PolarHBondContact N-O 3.21Å; F175-C177 WeakPolarHBondContact CB-SG 3.12Å; F175-C177 PolarHBondContact O-N 2.89Å; F175-C177 PolarHBondContact O-SG 2.87Å | ||
| 178 | M | 45.9 | Very low | 42.4 | Very low | 53 Ų | 53 | 85.2 Ų | 85.2 | 26% | 0.261 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.7 | 171.8 | -54.7 | -161.1 | -73.4 | 0 | 0 | 111.9 | C168 K169 | C168-M178 HydrophobicContact CB-CB 3.86Å; C168-M178 HydrophobicContact CB-CE 3.94Å; C168-M178 HydrophobicContact CB-CG 4.45Å; C168-M178 HydrophobicContact CB-SD 3.81Å; K169-M178 CarbonylContact O-C 3.33Å; K169-M178 VanDerWaalsContact O-CA 3.27Å; K169-M178 WeakPolarHBondContact O-CA 3.41Å |
| 179 | E | 42.5 | Very low | 41.8 | Very low | 65 Ų | 65 | 87.6 Ų | 87.6 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.2 | 160.3 | -151.5 | 177.5 | 171.5 | 0 | 0 | 106.9 | C168 K169 L171 | C168-E179 CarbonylContact C-O 3.45Å; C168-E179 WeakPolarHBondContact CA-O 3.03Å; K169-E179 PolarHBondContact N-O 2.92Å; K169-E179 PolarHBondContact O-N 3.08Å; L171-E179 HydrophobicContact CD1-CB 3.9Å; L171-E179 HydrophobicContact CD1-CG 4.18Å; L171-E179 HydrophobicContact CD2-CB 3.61Å; L171-E179 HydrophobicContact CD2-CG 3.74Å; L171-E179 WeakPolarHBondContact CD2-OE2 3.11Å; L171-E179 HydrophobicContact CG-CB 3.5Å; L171-E179 HydrophobicContact CG-CG 4.07Å |
| 180 | C | 45 | Very low | 41.1 | Very low | 28 Ų | 28 | 87.1 Ų | 87.1 | 19% | 0.189 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.7 | 170.2 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | C164 C168 C182 | C164-C180 HydrophobicContact CB-CB 4.43Å; C164-C180 WeakPolarHBondContact SG-CB 3.5Å; C168-C180 HydrophobicContact CB-CB 4.19Å; C168-C180 WeakPolarHBondContact CB-SG 3.41Å; C168-C180 WeakPolarHBondContact SG-CB 3.17Å; C168-C180 CovalentContact SG-SG 2.05Å; C168-C180 PolarHBondContact SG-SG 2.69Å; C180-C182 PolarHBondContact O-N 3.06Å |
| 181 | I | 44.7 | Very low | 40.5 | Very low | 95 Ų | 95 | 91.7 Ų | 91.7 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | trans | -81.1 | 105.2 | 173.2 | -60.6 | 172.8 | 0 | 0 | 0 | 107.2 | D167 | D167-I181 PolarHBondContact O-N 3.19Å; D167-I181 VanDerWaalsContact O-N 3.15Å | ||
| 182 | C | 42.1 | Very low | 39.6 | Very low | 56 Ų | 56 | 94.5 Ų | 94.5 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 135.2 | 173.6 | -47.8 | 0 | 0 | 0 | 0 | 109.9 | C164 C180 A186 | C164-C182 HydrophobicContact CB-CB 4.28Å; C164-C182 WeakPolarHBondContact CB-SG 3.23Å; C164-C182 VanDerWaalsContact SG-CA 3.51Å; C164-C182 WeakPolarHBondContact SG-CB 3.36Å; C164-C182 CovalentContact SG-SG 2.07Å; C164-C182 PolarHBondContact SG-SG 3.15Å; C180-C182 PolarHBondContact O-N 3.06Å; C182-A186 HydrophobicContact CB-CB 4.45Å |
| 183 | P | 42.8 | Very low | 38.8 | Very low | 82 Ų | 82 | 100 Ų | 100 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 142.2 | 174.4 | 6.7 | -4.4 | 0 | 0 | 0 | 110.9 | G185 A186 | P183-G185 PolarHBondContact O-N 3.25Å; P183-A186 WeakPolarHBondContact O-CB 3.5Å; P183-A186 PolarHBondContact O-N 2.07Å; P183-A186 VanDerWaalsContact O-N 3.15Å |
| 184 | K | 42.2 | Very low | 38.3 | Very low | 205 Ų | 205 | 101.3 Ų | 101.3 | 89% | 0.891 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | 130.3 | 173.1 | -81.2 | -176 | 173.7 | -179.6 | 0 | 110.7 | ||
| 185 | G | 41.1 | Very low | 38 | Very low | 78 Ų | 78 | 100.5 Ų | 100.5 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.8 | 6.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P183 T187 | P183-G185 PolarHBondContact O-N 3.25Å; G185-T187 PolarHBondContact O-N 3Å |
| 186 | A | 38.8 | Very low | 37.7 | Very low | 42 Ų | 42 | 104.9 Ų | 104.9 | 35% | 0.347 | 58% | 0.576 | S | S | . | * | trans | -56.7 | 109.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.3 | C182 P183 L188 | C182-A186 HydrophobicContact CB-CB 4.45Å; P183-A186 WeakPolarHBondContact O-CB 3.5Å; P183-A186 PolarHBondContact O-N 2.07Å; P183-A186 VanDerWaalsContact O-N 3.15Å; A186-L188 PolarHBondContact O-N 2.98Å; A186-L188 VanDerWaalsContact O-N 3.13Å | ||
| 187 | T | 34.7 | Very low | 37.6 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | trans | -60.9 | 114.5 | 175.8 | 39 | 0 | 0 | 0 | 0 | 108.4 | G185 L189 | G185-T187 PolarHBondContact O-N 3Å; T187-L189 PolarHBondContact O-N 3.13Å | ||
| 188 | L | 35.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 114 Ų | 114 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | trans | -51.1 | 112.6 | 158.3 | -70.5 | 164.6 | 0 | 0 | 0 | 105.7 | A186 D190 | A186-L188 PolarHBondContact O-N 2.98Å; A186-L188 VanDerWaalsContact O-N 3.13Å; L188-D190 PolarHBondContact O-N 2.9Å | ||
| 189 | L | 33.1 | Very low | 36.8 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | trans | -62.2 | 108.2 | 176.6 | -117.6 | 166.3 | 0 | 0 | 0 | 106.1 | P162 T187 Q191 Y193 | P162-L189 HydrophobicContact CB-CD1 3.58Å; P162-L189 HydrophobicContact CB-CG 4.43Å; P162-L189 HydrophobicContact CG-CB 4.2Å; P162-L189 HydrophobicContact CG-CD1 3.44Å; P162-L189 VanDerWaalsContact CG-CD1 3.44Å; P162-L189 HydrophobicContact CG-CG 4.34Å; T187-L189 PolarHBondContact O-N 3.13Å; L189-Q191 PolarHBondContact O-N 3.28Å; L189-Y193 HydrophobicContact CD2-CD2 3.7Å; L189-Y193 HydrophobicContact CD2-CE2 4.2Å; L189-Y193 HydrophobicContact CD2-CG 4.49Å | ||
| 190 | D | 32 | Very low | 36.4 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | trans | -49.6 | 125.1 | 174.7 | -152.5 | 6.7 | 0 | 0 | 0 | 106.4 | L188 N192 | L188-D190 PolarHBondContact O-N 2.9Å; D190-N192 PolarHBondContact O-N 3.29Å; D190-N192 PolarHBondContact OD2-ND2 3.4Å | ||
| 191 | Q | 30.7 | Very low | 35.8 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 15.7 | -173.9 | -72 | -176.7 | -20.2 | 0 | 0 | 113.7 | L189 Y193 | L189-Q191 PolarHBondContact O-N 3.28Å; Q191-Y193 VanDerWaalsContact C-N 3.29Å; Q191-Y193 PolarHBondContact O-N 3.15Å |
| 192 | N | 28.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 15.2 | 176.2 | -66.5 | -37.8 | 0 | 0 | 0 | 113.4 | D190 | D190-N192 PolarHBondContact O-N 3.29Å; D190-N192 PolarHBondContact OD2-ND2 3.4Å |
| 193 | Y | 24.4 | Very low | 34.6 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -102.6 | 56.9 | 166.2 | -87.5 | -82.9 | 0 | 0 | 0 | 111.7 | L189 Q191 | L189-Y193 HydrophobicContact CD2-CD2 3.7Å; L189-Y193 HydrophobicContact CD2-CE2 4.2Å; L189-Y193 HydrophobicContact CD2-CG 4.49Å; Q191-Y193 VanDerWaalsContact C-N 3.29Å; Q191-Y193 PolarHBondContact O-N 3.15Å | ||
| 194 | I | 30.5 | Very low | 33.8 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 100% | 1.195 | 75% | 0.748 | S | S | * | * | trans | -143.5 | 0 | 147.3 | -56.7 | -174.9 | 0 | 0 | 0 | 108 |
Retrieved 194 of 194 residues in 514.9 ms
(Link to these results)