| 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 | 39.1 | Very low | 37.1 | Very low | 246 Ų | 246 | 141.3 Ų | 141.3 | 100% | 1.212 | 82% | 0.823 | S | S | * | * | 0 | 116.6 | 0 | -141.9 | 173.9 | -74.7 | 0 | 0 | 106.5 | |||||
| 2 | V | 36.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 83% | 0.83 | S | S | * | * | trans | -75.9 | 148.8 | -177.3 | 173 | 0 | 0 | 0 | 0 | 108.7 | V4 | V2-V4 HydrophobicContact CG1-CG2 3.78Š| ||
| 3 | P | 44.2 | Very low | 37.1 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | -138.2 | 133.3 | 86.4 | 14.9 | 10.5 | 0 | 0 | 0 | 114.4 | |||||
| 4 | V | 36.8 | Very low | 37.1 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.655 | 83% | 0.825 | S | S | * | * | 76.6 | 119.9 | 83.7 | 174.9 | 0 | 0 | 0 | 0 | 113.7 | V2 | V2-V4 HydrophobicContact CG1-CG2 3.78Š| |||
| 5 | L | 33.9 | Very low | 37 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | 162.9 | 101.5 | 116.7 | -151.5 | 72.2 | 0 | 0 | 0 | 109.3 | |||||
| 6 | L | 34.4 | Very low | 36.9 | Very low | 133 Ų | 133 | 140 Ų | 140 | 70% | 0.696 | 82% | 0.824 | S | S | * | * | 72.3 | 99.3 | 87.8 | -95.6 | 156.9 | 0 | 0 | 0 | 116.2 | |||||
| 7 | I | 39.8 | Very low | 36.9 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 70% | 0.703 | 82% | 0.815 | S | S | * | * | trans | 37.7 | 117 | 133.3 | -52.3 | 175.4 | 0 | 0 | 0 | 118.5 | M9 | I7-M9 HydrophobicContact CG2-CG 4.5Š| ||
| 8 | L | 34.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 108.2 | 156.2 | -99.5 | 155.1 | 0 | 0 | 0 | 109.2 | ||||
| 9 | M | 36.2 | Very low | 36.9 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -103.2 | 143.3 | 158.9 | -90.1 | -149.3 | -97.6 | 0 | 0 | 108.8 | I7 | I7-M9 HydrophobicContact CG2-CG 4.5Š| ||
| 10 | G | 38.4 | Very low | 37 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 163.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 11 | A | 33.9 | Very low | 37.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -147.7 | 133.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 12 | S | 39.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -56.2 | 128.7 | 179.8 | -12.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | A | 34.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -114.6 | 115.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | L15 | A13-L15 PolarHBondContact O-N 3.48Š| ||
| 14 | T | 37.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -43.5 | 117.5 | 169.7 | 44.8 | 0 | 0 | 0 | 0 | 111 | H16 | T14-H16 PolarHBondContact O-N 3.49Š| ||
| 15 | L | 35.4 | Very low | 40.1 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -64.6 | 101.5 | 162.7 | -87.1 | 159.7 | 0 | 0 | 0 | 107 | A13 A17 | A13-L15 PolarHBondContact O-N 3.48Å; L15-A17 PolarHBondContact O-N 2.84Å; L15-A17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | H | 35.8 | Very low | 42.3 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -57 | 111.4 | 162.3 | -152.9 | 68.5 | 0 | 0 | 0 | 105.7 | T14 D18 | T14-H16 PolarHBondContact O-N 3.49Å; H16-D18 IonicContact CD2-OD1 3.58Å; H16-D18 PolarHBondContact O-N 3.26Å | ||
| 17 | A | 36.6 | Very low | 45 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -64.6 | 93.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106 | L15 L19 | L15-A17 PolarHBondContact O-N 2.84Å; L15-A17 VanDerWaalsContact O-N 3.07Å; A17-L19 PolarHBondContact O-N 3.03Å | ||
| 18 | D | 34.8 | Very low | 47.5 | Very low | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -62.1 | 96.8 | 162.7 | -85.1 | -24.4 | 0 | 0 | 0 | 106.4 | H16 L20 | H16-D18 IonicContact CD2-OD1 3.58Å; H16-D18 PolarHBondContact O-N 3.26Å; D18-L20 PolarHBondContact O-N 3.37Å | ||
| 19 | L | 39.2 | Very low | 50.4 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | trans | -57 | 83 | 156 | -97.7 | 119.3 | 0 | 0 | 0 | 107.3 | A17 S21 | A17-L19 PolarHBondContact O-N 3.03Å; L19-S21 PolarHBondContact O-N 2.93Å | ||
| 20 | L | 38.1 | Very low | 53.2 | Low | 163 Ų | 163 | 108.8 Ų | 108.8 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -60.9 | 97.2 | 155.3 | -82.2 | 163.5 | 0 | 0 | 0 | 106.2 | D18 | D18-L20 PolarHBondContact O-N 3.37Š| ||
| 21 | S | 41.6 | Very low | 56 | Low | 91 Ų | 91 | 107.1 Ų | 107.1 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -51.3 | 133 | 163.9 | -55.4 | 0 | 0 | 0 | 0 | 106.9 | L19 E23 | L19-S21 PolarHBondContact O-N 2.93Å; S21-E23 PolarHBondContact O-N 3.44Å | ||
| 22 | P | 43.4 | Very low | 59 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | trans | -62.5 | 113.3 | 170.2 | 26.3 | -29.5 | 0 | 0 | 0 | 105.8 | K24 | P22-K24 PolarHBondContact O-N 3.46Š| ||
| 23 | E | 47 | Very low | 61.8 | Low | 189 Ų | 189 | 102.2 Ų | 102.2 | 88% | 0.883 | 56% | 0.564 | S | S | * | * | trans | -49.3 | 112.6 | 165.8 | -83.9 | -176.6 | 150.1 | 0 | 0 | 106.2 | S21 F25 | S21-E23 PolarHBondContact O-N 3.44Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.16Å | ||
| 24 | K | 58.8 | Low | 64.7 | Low | 198 Ų | 198 | 100.2 Ų | 100.2 | 86% | 0.861 | 54% | 0.543 | S | S | * | . | trans | -63.8 | 101.4 | 173.9 | -78.2 | -178.3 | 178 | 178.2 | 0 | 105.3 | P22 L26 | P22-K24 PolarHBondContact O-N 3.46Å; K24-L26 PolarHBondContact O-N 3.1Å | ||
| 25 | F | 68.8 | Low | 67.6 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | trans | -54 | 105.1 | 172 | -172.2 | -92.2 | 0 | 0 | 0 | 107.7 | E23 L27 V56 L97 L104 | E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.16Å; F25-L27 HydrophobicContact CD1-CD2 4.42Å; F25-L27 HydrophobicContact CD1-CG 4.48Å; F25-L27 HydrophobicContact CE1-CD2 3.64Å; F25-L27 HydrophobicContact CE1-CG 4.16Å; F25-L27 HydrophobicContact CZ-CD2 4.47Å; F25-V56 HydrophobicContact CZ-CG2 4.13Å; F25-L97 HydrophobicContact CD1-CD2 4.19Å; F25-L97 HydrophobicContact CE1-CD2 3.69Å; F25-L97 HydrophobicContact CZ-CD2 4.39Å; F25-L104 HydrophobicContact CB-CD1 4.38Å; F25-L104 HydrophobicContact CD1-CD1 3.87Å | ||
| 26 | L | 80.5 | Confident | 70.5 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 118.8 | -174.1 | -170.2 | 145.7 | 0 | 0 | 0 | 107.7 | K24 L28 | K24-L26 PolarHBondContact O-N 3.1Å; L26-L28 HydrophobicContact CD2-CD2 3.63Å; L26-L28 HydrophobicContact CD2-CG 4.44Å |
| 27 | L | 89.6 | Confident | 73.3 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 5% | 0.047 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 126.6 | 174.4 | -75.6 | 175.3 | 0 | 0 | 0 | 110.2 | F25 L58 T95 L97 L104 S106 | F25-L27 HydrophobicContact CD1-CD2 4.42Å; F25-L27 HydrophobicContact CD1-CG 4.48Å; F25-L27 HydrophobicContact CE1-CD2 3.64Å; F25-L27 HydrophobicContact CE1-CG 4.16Å; F25-L27 HydrophobicContact CZ-CD2 4.47Å; L27-L58 HydrophobicContact CD2-CD2 3.88Å; L27-T95 HydrophobicContact CD2-CG2 4.14Å; L27-L97 HydrophobicContact CD1-CB 3.74Å; L27-L97 HydrophobicContact CD2-CB 4.28Å; L27-L97 HydrophobicContact CG-CB 4.48Å; L27-L104 VanDerWaalsContact CD1-C 3.43Å; L27-L104 HydrophobicContact CD1-CB 3.62Å; L27-L104 VanDerWaalsContact CD1-O 3.23Å; L27-L104 WeakPolarHBondContact CD1-O 3.32Å; L27-L104 HydrophobicContact CG-CB 4.25Å; L27-S106 WeakPolarHBondContact O-CA 3.29Å; L27-S106 WeakPolarHBondContact O-CB 3.48Å |
| 28 | L | 93.2 | Very high | 76 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -87 | 143.2 | 175.8 | -61.1 | 176.1 | 0 | 0 | 0 | 110.9 | L26 N50 D52 Q53 T95 S106 | L26-L28 HydrophobicContact CD2-CD2 3.63Å; L26-L28 HydrophobicContact CD2-CG 4.44Å; L28-N50 HydrophobicContact CB-CB 3.88Å; L28-D52 HydrophobicContact CD1-CB 3.65Å; L28-Q53 HydrophobicContact CD1-CB 4.44Å; L28-T95 WeakPolarHBondContact O-CB 3.49Å; L28-T95 PolarHBondContact O-OG1 3.49Å; L28-S106 VanDerWaalsContact C-CB 3.5Å |
| 29 | P | 95.3 | Very high | 78.7 | Confident | 31 Ų | 31 | 83.3 Ų | 83.3 | 20% | 0.201 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 151.2 | 176.9 | 28.4 | -35.3 | 0 | 0 | 0 | 111.8 | N50 S106 S107 V109 | P29-N50 WeakPolarHBondContact O-CB 3.36Å; P29-N50 PolarHBondContact O-ND2 3.2Å; P29-S106 WeakPolarHBondContact CA-OG 3.4Å; P29-S107 WeakPolarHBondContact CG-OG 3.47Å; P29-V109 HydrophobicContact CB-CG2 3.63Å |
| 30 | P | 95.8 | Very high | 81.3 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.019 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 158.4 | 173 | 30.4 | -35.5 | 0 | 0 | 0 | 110.9 | W47 D48 Y60 V93 T95 V109 | P30-W47 HydrophobicContact CB-CB 4.17Å; P30-W47 HydrophobicContact CB-CG 4.13Å; P30-D48 WeakPolarHBondContact CA-O 3.27Å; P30-D48 WeakPolarHBondContact CB-O 3.28Å; P30-Y60 HydrophobicContact CB-CE1 4.2Å; P30-V93 HydrophobicContact CG-CG1 3.75Å; P30-V93 HydrophobicContact CG-CG2 4.25Å; P30-T95 WeakPolarHBondContact CD-OG1 3.47Å; P30-V109 WeakPolarHBondContact O-CG2 3.46Å |
| 31 | V | 96.6 | Very high | 83.9 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 28% | 0.279 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 169.2 | -178.8 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | F33 D48 | V31-F33 PolarHBondContact O-N 3.19Å; V31-F33 VanDerWaalsContact O-N 3.11Å; V31-D48 HydrophobicContact CG2-CB 3.94Å; V31-D48 PolarHBondContact N-O 3.36Å; V31-D48 PolarHBondContact O-N 2.97Å |
| 32 | N | 96.5 | Very high | 86.5 | Confident | 108 Ų | 108 | 68 Ų | 68 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.3 | 33.8 | 177.7 | -58.9 | -28.7 | 0 | 0 | 0 | 115.1 | T34 D48 | N32-T34 PolarHBondContact O-N 3.28Å; N32-D48 HydrophobicContact CB-CB 4.49Å; N32-D48 WeakPolarHBondContact CB-OD2 3.49Å; N32-D48 PolarHBondContact ND2-OD2 3.42Å |
| 33 | F | 97.9 | Very high | 88.9 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 9% | 0.088 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 120.3 | 179.1 | -178.6 | -134.6 | 0 | 0 | 0 | 111.3 | V31 I35 L45 H46 W47 A91 V93 V109 A111 | V31-F33 PolarHBondContact O-N 3.19Å; V31-F33 VanDerWaalsContact O-N 3.11Å; F33-I35 HydrophobicContact CZ-CD1 4.34Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; F33-L45 HydrophobicContact CE2-CB 4.1Å; F33-L45 HydrophobicContact CE2-CD2 4.29Å; F33-L45 HydrophobicContact CE2-CG 4.43Å; F33-L45 HydrophobicContact CZ-CD2 4.17Å; F33-H46 CarbonylContact C-O 3.53Å; F33-H46 WeakPolarHBondContact CA-O 3.39Å; F33-H46 WeakPolarHBondContact CD2-O 3.29Å; F33-W47 HydrophobicContact CB-CB 4.29Å; F33-W47 HydrophobicContact CD2-CB 4.12Å; F33-W47 HydrophobicContact CD2-CE3 4.03Å; F33-W47 HydrophobicContact CE2-CE3 4Å; F33-A91 WeakPolarHBondContact CE1-O 3.34Å; F33-A91 HydrophobicContact CZ-CB 4.07Å; F33-V93 HydrophobicContact CB-CG1 4.24Å; F33-V93 HydrophobicContact CD1-CG1 3.92Å; F33-V93 HydrophobicContact CD2-CG1 3.67Å; F33-V93 HydrophobicContact CE1-CG1 4.16Å; F33-V93 HydrophobicContact CE2-CG1 3.93Å; F33-V93 HydrophobicContact CG-CG1 3.67Å; F33-V93 HydrophobicContact CZ-CG1 4.17Å; F33-V109 HydrophobicContact CB-CG1 3.77Å; F33-V109 HydrophobicContact CD1-CG1 4.27Å; F33-V109 HydrophobicContact CG-CG1 4.48Å; F33-A111 HydrophobicContact CD1-CB 3.58Å; F33-A111 HydrophobicContact CE1-CB 3.64Å; F33-A111 HydrophobicContact CG-CB 4.36Å; F33-A111 HydrophobicContact CZ-CB 4.45Å |
| 34 | T | 97.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.7 | -178 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | N32 L45 H46 | N32-T34 PolarHBondContact O-N 3.28Å; T34-L45 WeakPolarHBondContact O-CA 3.34Å; T34-H46 PolarHBondContact N-O 2.85Å; T34-H46 PolarHBondContact O-N 3.49Å; T34-H46 PolarHBondContact OG1-O 3.37Å |
| 35 | I | 97.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.1 | 174.6 | -59.8 | 171.4 | 0 | 0 | 0 | 107.4 | F33 V43 F89 A91 A111 L113 | F33-I35 HydrophobicContact CZ-CD1 4.34Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; I35-V43 HydrophobicContact CG2-CB 4.34Å; I35-V43 HydrophobicContact CG2-CG1 4.47Å; I35-F89 HydrophobicContact CD1-CD1 3.98Å; I35-F89 HydrophobicContact CD1-CE1 3.92Å; I35-F89 HydrophobicContact CG1-CE1 4.46Å; I35-F89 HydrophobicContact CG2-CD1 3.73Å; I35-F89 HydrophobicContact CG2-CE1 3.86Å; I35-A91 HydrophobicContact CD1-CB 4.09Å; I35-A111 VanDerWaalsContact CD1-C 3.46Å; I35-A111 HydrophobicContact CD1-CB 3.73Å; I35-A111 WeakPolarHBondContact CD1-O 3.38Å; I35-A111 HydrophobicContact CG1-CB 3.92Å; I35-L113 HydrophobicContact CG2-CB 4.11Å |
| 36 | K | 95.7 | Very high | 94.6 | Very high | 128 Ų | 128 | 45.1 Ų | 45.1 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130 | 179.4 | -65.3 | 179.9 | -176.9 | 172.5 | 0 | 110.4 | T38 V43 L44 | K36-T38 PolarHBondContact O-N 3.26Å; K36-V43 CarbonylContact O-C 3.53Å; K36-V43 WeakPolarHBondContact O-CA 3.45Å; K36-L44 PolarHBondContact N-O 3.25Å; K36-L44 PolarHBondContact O-N 3.27Å |
| 37 | A | 94.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 50% | 0.504 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 123.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L85 L113 | A37-L85 HydrophobicContact CB-CD1 4.17Å; A37-L113 HydrophobicContact CB-CD2 4.14Å |
| 38 | T | 93.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -12.8 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | K36 Q42 L44 | K36-T38 PolarHBondContact O-N 3.26Å; T38-Q42 PolarHBondContact N-O 2.91Å; T38-L44 HydrophobicContact CG2-CB 3.64Å; T38-L44 HydrophobicContact CG2-CD2 4.45Å |
| 39 | G | 91 | Very high | 95.7 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -174.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A41 Q42 | G39-A41 PolarHBondContact O-N 2.9Å; G39-Q42 PolarHBondContact O-N 2.93Å; G39-Q42 VanDerWaalsContact O-N 3.1Å |
| 40 | L | 93.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 120.5 | 179.9 | -61.6 | -175.7 | 0 | 0 | 0 | 111.2 | Q42 R169 T174 H209 | L40-Q42 PolarHBondContact O-N 3.27Å; L40-R169 HydrophobicContact CB-CB 3.97Å; L40-R169 HydrophobicContact CD1-CB 4.15Å; L40-R169 HydrophobicContact CG-CB 4.46Å; L40-R169 PolarHBondContact O-NE 2.93Å; L40-R169 PolarHBondContact O-NH2 3.28Å; L40-T174 HydrophobicContact CD1-CG2 3.69Å; L40-T174 HydrophobicContact CG-CG2 4.19Å; L40-H209 HydrophobicContact CD1-CB 3.96Å; L40-H209 HydrophobicContact CD2-CB 3.68Å; L40-H209 HydrophobicContact CG-CB 4.3Å |
| 41 | A | 93.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 35.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G39 V82 T83 A207 L225 | G39-A41 PolarHBondContact O-N 2.9Å; A41-V82 CarbonylContact O-C 3.56Å; A41-V82 VanDerWaalsContact O-CA 3.27Å; A41-V82 WeakPolarHBondContact O-CA 3.45Å; A41-T83 CarbonylContact C-O 3.59Å; A41-T83 VanDerWaalsContact C-O 3.29Å; A41-T83 WeakPolarHBondContact CA-O 3.49Å; A41-T83 WeakPolarHBondContact CB-O 3.3Å; A41-T83 PolarHBondContact O-N 3.13Å; A41-A207 HydrophobicContact CB-CB 3.86Å; A41-L225 HydrophobicContact CB-CD2 3.77Å; A41-L225 HydrophobicContact CB-CG 4.42Å |
| 42 | Q | 94.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130 | 178 | -79 | -175.6 | -4.8 | 0 | 0 | 111.2 | T38 G39 L40 C81 V82 | T38-Q42 PolarHBondContact N-O 2.91Å; G39-Q42 PolarHBondContact O-N 2.93Å; G39-Q42 VanDerWaalsContact O-N 3.1Å; L40-Q42 PolarHBondContact O-N 3.27Å; Q42-C81 WeakPolarHBondContact CA-O 3.48Å; Q42-V82 HydrophobicContact CG-CG2 4.32Å |
| 43 | V | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145 | 175.3 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | I35 K36 L45 K80 C81 T83 L85 F89 L113 | I35-V43 HydrophobicContact CG2-CB 4.34Å; I35-V43 HydrophobicContact CG2-CG1 4.47Å; K36-V43 CarbonylContact O-C 3.53Å; K36-V43 WeakPolarHBondContact O-CA 3.45Å; V43-L45 HydrophobicContact CG2-CD1 3.97Å; V43-K80 WeakPolarHBondContact O-CA 3.25Å; V43-C81 HydrophobicContact CG2-CB 3.72Å; V43-C81 PolarHBondContact N-O 3.49Å; V43-C81 PolarHBondContact O-N 3.39Å; V43-T83 HydrophobicContact CG2-CG2 4.11Å; V43-L85 HydrophobicContact CG1-CD1 3.83Å; V43-L85 HydrophobicContact CG1-CD2 3.44Å; V43-L85 VanDerWaalsContact CG1-CD2 3.44Å; V43-L85 HydrophobicContact CG1-CG 4.28Å; V43-F89 HydrophobicContact CG2-CD1 4.45Å; V43-F89 HydrophobicContact CG2-CE1 3.94Å; V43-F89 HydrophobicContact CG2-CE2 4.17Å; V43-F89 HydrophobicContact CG2-CZ 3.79Å; V43-L113 HydrophobicContact CG1-CD2 4.23Å |
| 44 | L | 97 | Very high | 93.8 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.2 | 170.8 | -178.6 | 68.9 | 0 | 0 | 0 | 108.5 | K36 T38 E78 K80 | K36-L44 PolarHBondContact N-O 3.25Å; K36-L44 PolarHBondContact O-N 3.27Å; T38-L44 HydrophobicContact CG2-CB 3.64Å; T38-L44 HydrophobicContact CG2-CD2 4.45Å; L44-E78 HydrophobicContact CD1-CB 4.29Å; L44-K80 HydrophobicContact CD1-CG 3.67Å |
| 45 | L | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.7 | 170.1 | -66.4 | 77.7 | 0 | 0 | 0 | 107.1 | F33 T34 V43 W47 V62 E78 S79 C81 F89 A91 | F33-L45 HydrophobicContact CE2-CB 4.1Å; F33-L45 HydrophobicContact CE2-CD2 4.29Å; F33-L45 HydrophobicContact CE2-CG 4.43Å; F33-L45 HydrophobicContact CZ-CD2 4.17Å; T34-L45 WeakPolarHBondContact O-CA 3.34Å; V43-L45 HydrophobicContact CG2-CD1 3.97Å; L45-W47 HydrophobicContact CB-CE3 4.47Å; L45-W47 HydrophobicContact CB-CZ3 3.93Å; L45-V62 HydrophobicContact CD2-CG1 3.88Å; L45-E78 CarbonylContact O-C 3.6Å; L45-E78 VanDerWaalsContact O-CA 3.23Å; L45-E78 WeakPolarHBondContact O-CA 3.31Å; L45-S79 WeakPolarHBondContact CD1-O 3.3Å; L45-S79 PolarHBondContact N-O 2.91Å; L45-S79 PolarHBondContact O-N 3.45Å; L45-C81 HydrophobicContact CD1-CB 4.15Å; L45-C81 WeakPolarHBondContact CD1-SG 3.27Å; L45-F89 HydrophobicContact CD1-CE1 4.46Å; L45-F89 HydrophobicContact CD1-CZ 4.38Å; L45-A91 HydrophobicContact CD2-CB 3.79Å |
| 46 | H | 98.1 | Very high | 91.5 | Very high | 64 Ų | 64 | 57 Ų | 57 | 30% | 0.296 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 137 | -179.3 | 175.3 | 67.3 | 0 | 0 | 0 | 110.3 | F33 T34 D48 T77 | F33-H46 CarbonylContact C-O 3.53Å; F33-H46 WeakPolarHBondContact CA-O 3.39Å; F33-H46 WeakPolarHBondContact CD2-O 3.29Å; T34-H46 PolarHBondContact N-O 2.85Å; T34-H46 PolarHBondContact O-N 3.49Å; T34-H46 PolarHBondContact OG1-O 3.37Å; H46-D48 IonicContact CE1-OD1 3.33Å; H46-D48 IonicContact NE2-OD1 2.64Å; H46-T77 PolarHBondContact ND1-O 2.88Å |
| 47 | W | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163.3 | 176 | 56.7 | 93.6 | 0 | 0 | 0 | 109.9 | P30 F33 L45 Y60 V62 T74 N76 T77 V93 | P30-W47 HydrophobicContact CB-CB 4.17Å; P30-W47 HydrophobicContact CB-CG 4.13Å; F33-W47 HydrophobicContact CB-CB 4.29Å; F33-W47 HydrophobicContact CD2-CB 4.12Å; F33-W47 HydrophobicContact CD2-CE3 4.03Å; F33-W47 HydrophobicContact CE2-CE3 4Å; L45-W47 HydrophobicContact CB-CE3 4.47Å; L45-W47 HydrophobicContact CB-CZ3 3.93Å; W47-Y60 AromaticContact CD1-CD1 3.98Å; W47-Y60 AromaticContact CD1-CE1 3.84Å; W47-Y60 AromaticContact CE2-CG 3.82Å; W47-Y60 HydrophobicContact CZ2-CD2 4Å; W47-Y60 AromaticContact CZ2-CG 3.87Å; W47-Y60 HydrophobicContact CZ2-CG 3.87Å; W47-Y60 AromaticContact NE1-CD1 3.27Å; W47-Y60 VanDerWaalsContact NE1-CD1 3.27Å; W47-Y60 AromaticContact NE1-CD2 3.39Å; W47-Y60 AromaticContact NE1-CE1 3.46Å; W47-Y60 AromaticContact NE1-CE2 3.58Å; W47-Y60 AromaticContact NE1-CG 3.23Å; W47-Y60 AromaticContact NE1-CZ 3.61Å; W47-V62 HydrophobicContact CH2-CG2 3.6Å; W47-V62 HydrophobicContact CZ2-CG2 4.2Å; W47-V62 HydrophobicContact CZ3-CG2 4.21Å; W47-T74 HydrophobicContact CH2-CG2 3.93Å; W47-T74 HydrophobicContact CZ2-CG2 3.87Å; W47-N76 WeakPolarHBondContact CZ2-O 3.24Å; W47-T77 PolarHBondContact N-O 3.28Å; W47-T77 VanDerWaalsContact O-CB 3.29Å; W47-T77 WeakPolarHBondContact O-CB 3.33Å; W47-V93 HydrophobicContact CD2-CG1 4.38Å; W47-V93 HydrophobicContact CD2-CG2 4.04Å; W47-V93 HydrophobicContact CE3-CG1 4.46Å; W47-V93 HydrophobicContact CE3-CG2 4.33Å; W47-V93 HydrophobicContact CG-CG1 4.44Å; W47-V93 HydrophobicContact CH2-CG2 4.35Å; W47-V93 HydrophobicContact CZ2-CG2 4.04Å; W47-V93 HydrophobicContact CZ3-CG2 4.49Å |
| 48 | D | 96.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147 | 173.3 | -65.5 | -45.5 | 0 | 0 | 0 | 110.2 | P30 V31 N32 H46 | P30-D48 WeakPolarHBondContact CA-O 3.27Å; P30-D48 WeakPolarHBondContact CB-O 3.28Å; V31-D48 HydrophobicContact CG2-CB 3.94Å; V31-D48 PolarHBondContact N-O 3.36Å; V31-D48 PolarHBondContact O-N 2.97Å; N32-D48 HydrophobicContact CB-CB 4.49Å; N32-D48 WeakPolarHBondContact CB-OD2 3.49Å; N32-D48 PolarHBondContact ND2-OD2 3.42Å; H46-D48 IonicContact CE1-OD1 3.33Å; H46-D48 IonicContact NE2-OD1 2.64Å |
| 49 | P | 94.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | trans | -57.4 | 148 | 168.6 | -18.4 | 30.7 | 0 | 0 | 0 | 110.4 | T77 | P49-T77 HydrophobicContact CG-CG2 3.98Š| ||
| 50 | N | 94.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | trans | -67.5 | 125 | 176.9 | -163.4 | -55.7 | 0 | 0 | 0 | 110 | L28 P29 D52 Q53 | L28-N50 HydrophobicContact CB-CB 3.88Å; P29-N50 WeakPolarHBondContact O-CB 3.36Å; P29-N50 PolarHBondContact O-ND2 3.2Å; N50-D52 PolarHBondContact O-N 3.48Å; N50-D52 PolarHBondContact OD1-N 3.01Å; N50-Q53 HydrophobicContact CB-CB 4.1Å; N50-Q53 WeakPolarHBondContact O-CB 3.34Å; N50-Q53 PolarHBondContact O-N 3.01Å; N50-Q53 VanDerWaalsContact O-N 3.16Å | ||
| 51 | P | 91.3 | Very high | 90.6 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 69% | 0.688 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.4 | -177.6 | 27.2 | -36.1 | 0 | 0 | 0 | 113.4 | Q53 | P51-Q53 VanDerWaalsContact C-N 3.27Š|
| 52 | D | 89.6 | Confident | 90.8 | Very high | 134 Ų | 134 | 50.4 Ų | 50.4 | 72% | 0.717 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 1.9 | -179.7 | -57.2 | -38.6 | 0 | 0 | 0 | 112.2 | L28 N50 | L28-D52 HydrophobicContact CD1-CB 3.65Å; N50-D52 PolarHBondContact O-N 3.48Å; N50-D52 PolarHBondContact OD1-N 3.01Å |
| 53 | Q | 86.2 | Confident | 90.9 | Very high | 23 Ų | 23 | 50 Ų | 50 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -90.8 | 133.1 | 178.4 | -175.4 | 66.2 | 68.3 | 0 | 0 | 110.6 | L28 N50 P51 L58 | L28-Q53 HydrophobicContact CD1-CB 4.44Å; N50-Q53 HydrophobicContact CB-CB 4.1Å; N50-Q53 WeakPolarHBondContact O-CB 3.34Å; N50-Q53 PolarHBondContact O-N 3.01Å; N50-Q53 VanDerWaalsContact O-N 3.16Å; P51-Q53 VanDerWaalsContact C-N 3.27Å; Q53-L58 HydrophobicContact CG-CD1 3.68Å; Q53-L58 HydrophobicContact CG-CD2 4.24Å |
| 54 | D | 80.3 | Confident | 91 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | trans | -55.4 | 144.2 | 174.2 | -69.6 | -41 | 0 | 0 | 0 | 112 | V56 | D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 HydrophobicContact CB-CG2 4.22Å; D54-V56 PolarHBondContact O-N 3.34Å | ||
| 55 | P | 69.2 | Low | 90.9 | Very high | 137 Ų | 137 | 51 Ų | 51 | 89% | 0.89 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.7 | 86.6 | -179.5 | 27.8 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 56 | V | 76.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 38% | 0.376 | 30% | 0.301 | S | S | . | . | trans | -115.7 | 157.7 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | F25 D54 L58 L97 | F25-V56 HydrophobicContact CZ-CG2 4.13Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 HydrophobicContact CB-CG2 4.22Å; D54-V56 PolarHBondContact O-N 3.34Å; V56-L58 HydrophobicContact CB-CD2 4.15Å; V56-L58 WeakPolarHBondContact O-CG 3.25Å; V56-L58 PolarHBondContact O-N 3.38Å; V56-L97 HydrophobicContact CG1-CD1 3.85Å | ||
| 57 | D | 80.7 | Confident | 90.3 | Very high | 113 Ų | 113 | 53 Ų | 53 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | trans | -69.7 | 81.4 | 170.6 | -173.5 | 23.9 | 0 | 0 | 0 | 109.4 | K75 | D57-K75 VanDerWaalsContact CG-NZ 3.34Å; D57-K75 IonicContact OD1-NZ 2.73Å; D57-K75 PolarHBondContact OD1-NZ 3.05Å; D57-K75 VanDerWaalsContact OD1-NZ 3.15Å; D57-K75 IonicContact OD2-NZ 3.77Å; D57-K75 PolarHBondContact OD2-NZ 2.99Å | ||
| 58 | L | 85.6 | Confident | 90 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | trans | -78.7 | 142.2 | -178.5 | -59.8 | 173.3 | 0 | 0 | 0 | 110.8 | L27 Q53 V56 T95 | L27-L58 HydrophobicContact CD2-CD2 3.88Å; Q53-L58 HydrophobicContact CG-CD1 3.68Å; Q53-L58 HydrophobicContact CG-CD2 4.24Å; V56-L58 HydrophobicContact CB-CD2 4.15Å; V56-L58 WeakPolarHBondContact O-CG 3.25Å; V56-L58 PolarHBondContact O-N 3.38Å; L58-T95 HydrophobicContact CB-CG2 4.09Å; L58-T95 HydrophobicContact CD1-CG2 4.15Å; L58-T95 HydrophobicContact CD2-CG2 3.86Å; L58-T95 HydrophobicContact CG-CG2 4.24Å | ||
| 59 | E | 92.9 | Very high | 89.9 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 160.1 | 168.2 | -81.2 | -179.3 | -151.8 | 0 | 0 | 110 | K75 I96 K98 | E59-K75 HydrophobicContact CG-CD 4.44Å; E59-K75 HydrophobicContact CG-CG 3.65Å; E59-K75 WeakPolarHBondContact OE1-CE 3.5Å; E59-K75 IonicContact OE1-NZ 3.58Å; E59-I96 HydrophobicContact CB-CD1 4.05Å; E59-I96 HydrophobicContact CB-CG1 3.67Å; E59-I96 PolarHBondContact N-O 3.05Å; E59-I96 VanDerWaalsContact N-O 3.11Å; E59-I96 WeakPolarHBondContact O-CG1 3.4Å; E59-I96 PolarHBondContact O-N 2.79Å; E59-I96 VanDerWaalsContact O-O 3.1Å; E59-K98 VanDerWaalsContact OE2-CD 3.26Å; E59-K98 WeakPolarHBondContact OE2-CD 3.38Å; E59-K98 WeakPolarHBondContact OE2-CE 3.44Å; E59-K98 IonicContact OE2-NZ 3.15Å; E59-K98 PolarHBondContact OE2-NZ 2.98Å |
| 60 | Y | 95.1 | Very high | 90 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.4 | 177.7 | -56.1 | -77.3 | 0 | 0 | 0 | 110.1 | P30 W47 D73 T74 N76 T77 V93 R94 T95 | P30-Y60 HydrophobicContact CB-CE1 4.2Å; W47-Y60 AromaticContact CD1-CD1 3.98Å; W47-Y60 AromaticContact CD1-CE1 3.84Å; W47-Y60 AromaticContact CE2-CG 3.82Å; W47-Y60 HydrophobicContact CZ2-CD2 4Å; W47-Y60 AromaticContact CZ2-CG 3.87Å; W47-Y60 HydrophobicContact CZ2-CG 3.87Å; W47-Y60 AromaticContact NE1-CD1 3.27Å; W47-Y60 VanDerWaalsContact NE1-CD1 3.27Å; W47-Y60 AromaticContact NE1-CD2 3.39Å; W47-Y60 AromaticContact NE1-CE1 3.46Å; W47-Y60 AromaticContact NE1-CE2 3.58Å; W47-Y60 AromaticContact NE1-CG 3.23Å; W47-Y60 AromaticContact NE1-CZ 3.61Å; Y60-D73 CarbonylContact O-C 3.45Å; Y60-D73 VanDerWaalsContact O-CA 3.31Å; Y60-D73 WeakPolarHBondContact O-CA 3.12Å; Y60-T74 PolarHBondContact N-O 3.49Å; Y60-T74 PolarHBondContact O-N 3.01Å; Y60-N76 WeakPolarHBondContact CD2-O 3.17Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å; Y60-V93 HydrophobicContact CD1-CG2 4.5Å; Y60-R94 WeakPolarHBondContact CA-O 3.46Å; Y60-T95 HydrophobicContact CE1-CG2 4.48Å |
| 61 | H | 96.3 | Very high | 90.1 | Very high | 22 Ų | 22 | 69.3 Ų | 69.3 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.5 | 172.7 | -176.3 | 70.9 | 0 | 0 | 0 | 108.4 | E71 D73 V93 R94 I96 W108 | H61-E71 IonicContact CE1-OE2 3.99Å; H61-E71 IonicContact NE2-OE2 3.82Å; H61-D73 IonicContact CE1-OD1 3.54Å; H61-D73 IonicContact CG-OD1 3.77Å; H61-D73 IonicContact ND1-OD1 3.88Å; H61-D73 PolarHBondContact ND1-OD1 2.94Å; H61-V93 WeakPolarHBondContact O-CA 3.36Å; H61-R94 HydrophobicContact CB-CG 4.02Å; H61-R94 PolarHBondContact N-O 3.4Å; H61-R94 PolarHBondContact O-N 3.32Å; H61-I96 HydrophobicContact CB-CD1 4.11Å; H61-I96 HydrophobicContact CB-CG1 4.28Å; H61-I96 HydrophobicContact CB-CG2 3.71Å; H61-W108 AromaticContact CD2-CH2 3.3Å; H61-W108 WeakPolarHBondContact CD2-CH2 3.29Å; H61-W108 AromaticContact CD2-CZ2 3.97Å; H61-W108 AromaticContact NE2-CH2 3.86Å |
| 62 | V | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.1 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L45 W47 E71 Y72 T74 V93 | L45-V62 HydrophobicContact CD2-CG1 3.88Å; W47-V62 HydrophobicContact CH2-CG2 3.6Å; W47-V62 HydrophobicContact CZ2-CG2 4.2Å; W47-V62 HydrophobicContact CZ3-CG2 4.21Å; V62-E71 VanDerWaalsContact O-CA 3.31Å; V62-E71 WeakPolarHBondContact O-CA 3.3Å; V62-Y72 HydrophobicContact CB-CD2 4.31Å; V62-Y72 HydrophobicContact CB-CE1 4.15Å; V62-Y72 HydrophobicContact CB-CE2 3.86Å; V62-Y72 HydrophobicContact CG1-CE1 4.02Å; V62-Y72 HydrophobicContact CG1-CE2 4.29Å; V62-Y72 HydrophobicContact CG2-CE2 4.05Å; V62-Y72 PolarHBondContact N-O 3.34Å; V62-Y72 PolarHBondContact O-N 3.41Å; V62-T74 HydrophobicContact CG2-CG2 4.03Å; V62-V93 HydrophobicContact CG2-CG2 4.03Å |
| 63 | K | 97.6 | Very high | 90.5 | Very high | 45 Ų | 45 | 64 Ų | 64 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.5 | 173.8 | 177.2 | 177.2 | -178.2 | 122.6 | 0 | 109.6 | N65 D70 E71 A91 S92 W108 | K63-N65 WeakPolarHBondContact CD-OD1 3.16Å; K63-N65 WeakPolarHBondContact CE-OD1 3.22Å; K63-N65 WeakPolarHBondContact CG-OD1 3.31Å; K63-D70 CarbonylContact C-O 3.53Å; K63-D70 WeakPolarHBondContact CA-O 3.47Å; K63-E71 HydrophobicContact CB-CG 3.89Å; K63-E71 HydrophobicContact CD-CG 4.3Å; K63-E71 VanDerWaalsContact CD-OE1 3.22Å; K63-E71 WeakPolarHBondContact CD-OE1 3.38Å; K63-E71 WeakPolarHBondContact CE-OE1 3.46Å; K63-E71 HydrophobicContact CG-CG 3.71Å; K63-E71 IonicContact NZ-OE1 3.98Å; K63-E71 PolarHBondContact NZ-OE1 3.08Å; K63-A91 CarbonylContact O-C 3.48Å; K63-A91 VanDerWaalsContact O-CA 3.24Å; K63-A91 WeakPolarHBondContact O-CA 3.27Å; K63-S92 PolarHBondContact N-O 3.25Å; K63-S92 PolarHBondContact O-N 3.03Å; K63-W108 HydrophobicContact CB-CH2 3.65Å; K63-W108 HydrophobicContact CB-CZ3 3.76Å; K63-W108 HydrophobicContact CD-CH2 4.29Å |
| 64 | I | 96.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.9 | 164.8 | -55.2 | -179.4 | 0 | 0 | 0 | 106.5 | Q68 E69 D70 Y72 C81 F89 | I64-Q68 WeakPolarHBondContact CG2-O 3.33Å; I64-E69 VanDerWaalsContact O-CA 3.3Å; I64-E69 WeakPolarHBondContact O-CA 3.24Å; I64-D70 HydrophobicContact CB-CB 4.31Å; I64-D70 HydrophobicContact CD1-CB 4.29Å; I64-D70 PolarHBondContact N-O 3.36Å; I64-D70 PolarHBondContact O-N 3.49Å; I64-Y72 HydrophobicContact CD1-CE1 4.42Å; I64-C81 HydrophobicContact CD1-CB 4.36Å; I64-F89 HydrophobicContact CD1-CE2 4.49Å; I64-F89 HydrophobicContact CG1-CZ 4.44Å; I64-F89 HydrophobicContact CG2-CD2 4.49Å; I64-F89 HydrophobicContact CG2-CE2 3.69Å; I64-F89 HydrophobicContact CG2-CZ 4.15Å |
| 65 | N | 94.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -40.6 | -179.4 | -58.4 | -57.9 | 0 | 0 | 0 | 111.3 | K63 A90 S92 | K63-N65 WeakPolarHBondContact CD-OD1 3.16Å; K63-N65 WeakPolarHBondContact CE-OD1 3.22Å; K63-N65 WeakPolarHBondContact CG-OD1 3.31Å; N65-A90 HydrophobicContact CB-CB 4.35Å; N65-A90 PolarHBondContact N-O 3.3Å; N65-S92 PolarHBondContact ND2-OG 3.48Å |
| 66 | V | 94.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.2 | -174.5 | -173.6 | 0 | 0 | 0 | 0 | 108 | C88 F89 A90 | V66-C88 VanDerWaalsContact CG1-O 3.25Å; V66-C88 WeakPolarHBondContact CG1-O 3.21Å; V66-F89 WeakPolarHBondContact O-CA 3.19Å; V66-F89 VanDerWaalsContact O-CD2 3.31Å; V66-F89 WeakPolarHBondContact O-CD2 3.37Å; V66-A90 HydrophobicContact CB-CB 4.35Å; V66-A90 HydrophobicContact CG2-CB 4.42Å; V66-A90 PolarHBondContact N-O 2.95Å; V66-A90 PolarHBondContact O-N 3.19Å |
| 67 | P | 90.2 | Very high | 93.7 | Very high | 48 Ų | 48 | 62 Ų | 62 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | S | Bend | cis | -81.8 | -21.3 | 6.5 | 32.1 | -36.3 | 0 | 0 | 0 | 115.4 | T83 | P67-T83 WeakPolarHBondContact CG-OG1 2.95Š|
| 68 | Q | 91.3 | Very high | 94.4 | Very high | 154 Ų | 154 | 61.1 Ų | 61.1 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -129.9 | 130.3 | 178.5 | -178.4 | 176.7 | -10 | 0 | 0 | 108.7 | I64 D70 | I64-Q68 WeakPolarHBondContact CG2-O 3.33Å; Q68-D70 PolarHBondContact O-N 3.03Å |
| 69 | E | 93.8 | Very high | 94.9 | Very high | 141 Ų | 141 | 60.9 Ų | 60.9 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | trans | -65.4 | 128.8 | 177 | -67.1 | -170.9 | 165.6 | 0 | 0 | 110.7 | I64 | I64-E69 VanDerWaalsContact O-CA 3.3Å; I64-E69 WeakPolarHBondContact O-CA 3.24Å | ||
| 70 | D | 94.9 | Very high | 95 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 147.7 | 174.9 | -167.6 | 19.8 | 0 | 0 | 0 | 109.4 | K63 I64 Q68 | K63-D70 CarbonylContact C-O 3.53Å; K63-D70 WeakPolarHBondContact CA-O 3.47Å; I64-D70 HydrophobicContact CB-CB 4.31Å; I64-D70 HydrophobicContact CD1-CB 4.29Å; I64-D70 PolarHBondContact N-O 3.36Å; I64-D70 PolarHBondContact O-N 3.49Å; Q68-D70 PolarHBondContact O-N 3.03Å |
| 71 | E | 96.1 | Very high | 94.9 | Very high | 94 Ų | 94 | 67.6 Ų | 67.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 135.4 | -175.2 | -69 | -177.3 | -170.1 | 0 | 0 | 110.8 | H61 V62 K63 | H61-E71 IonicContact CE1-OE2 3.99Å; H61-E71 IonicContact NE2-OE2 3.82Å; V62-E71 VanDerWaalsContact O-CA 3.31Å; V62-E71 WeakPolarHBondContact O-CA 3.3Å; K63-E71 HydrophobicContact CB-CG 3.89Å; K63-E71 HydrophobicContact CD-CG 4.3Å; K63-E71 VanDerWaalsContact CD-OE1 3.22Å; K63-E71 WeakPolarHBondContact CD-OE1 3.38Å; K63-E71 WeakPolarHBondContact CE-OE1 3.46Å; K63-E71 HydrophobicContact CG-CG 3.71Å; K63-E71 IonicContact NZ-OE1 3.98Å; K63-E71 PolarHBondContact NZ-OE1 3.08Å |
| 72 | Y | 95.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 158.7 | 179.2 | 58.7 | -87.7 | 0 | 0 | 0 | 112.3 | V62 I64 S79 C81 | V62-Y72 HydrophobicContact CB-CD2 4.31Å; V62-Y72 HydrophobicContact CB-CE1 4.15Å; V62-Y72 HydrophobicContact CB-CE2 3.86Å; V62-Y72 HydrophobicContact CG1-CE1 4.02Å; V62-Y72 HydrophobicContact CG1-CE2 4.29Å; V62-Y72 HydrophobicContact CG2-CE2 4.05Å; V62-Y72 PolarHBondContact N-O 3.34Å; V62-Y72 PolarHBondContact O-N 3.41Å; I64-Y72 HydrophobicContact CD1-CE1 4.42Å; Y72-S79 WeakPolarHBondContact CE2-OG 3.47Å; Y72-S79 WeakPolarHBondContact OH-CB 3.45Å; Y72-S79 PolarHBondContact OH-OG 2.69Å; Y72-C81 PolarHBondContact OH-SG 3.34Å; Y72-C81 VanDerWaalsContact OH-SG 3.34Å |
| 73 | D | 95.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 145.8 | 175 | -62.9 | -15.9 | 0 | 0 | 0 | 110.9 | Y60 H61 I96 K98 | Y60-D73 CarbonylContact O-C 3.45Å; Y60-D73 VanDerWaalsContact O-CA 3.31Å; Y60-D73 WeakPolarHBondContact O-CA 3.12Å; H61-D73 IonicContact CE1-OD1 3.54Å; H61-D73 IonicContact CG-OD1 3.77Å; H61-D73 IonicContact ND1-OD1 3.88Å; H61-D73 PolarHBondContact ND1-OD1 2.94Å; D73-I96 HydrophobicContact CB-CD1 4.45Å; D73-K98 WeakPolarHBondContact OD2-CE 3.31Å; D73-K98 IonicContact OD2-NZ 2.75Å; D73-K98 PolarHBondContact OD2-NZ 3.35Å |
| 74 | T | 94.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 69.9 Ų | 69.9 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 147.1 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | W47 Y60 V62 N76 | W47-T74 HydrophobicContact CH2-CG2 3.93Å; W47-T74 HydrophobicContact CZ2-CG2 3.87Å; Y60-T74 PolarHBondContact N-O 3.49Å; Y60-T74 PolarHBondContact O-N 3.01Å; V62-T74 HydrophobicContact CG2-CG2 4.03Å; T74-N76 PolarHBondContact OG1-N 3.42Å; T74-N76 VanDerWaalsContact OG1-N 3.08Å |
| 75 | K | 93.6 | Very high | 94.4 | Very high | 107 Ų | 107 | 70.2 Ų | 70.2 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -87.9 | -15.1 | 170 | -75.1 | -175 | 171.5 | -132.5 | 0 | 113 | D57 E59 | D57-K75 VanDerWaalsContact CG-NZ 3.34Å; D57-K75 IonicContact OD1-NZ 2.73Å; D57-K75 PolarHBondContact OD1-NZ 3.05Å; D57-K75 VanDerWaalsContact OD1-NZ 3.15Å; D57-K75 IonicContact OD2-NZ 3.77Å; D57-K75 PolarHBondContact OD2-NZ 2.99Å; E59-K75 HydrophobicContact CG-CD 4.44Å; E59-K75 HydrophobicContact CG-CG 3.65Å; E59-K75 WeakPolarHBondContact OE1-CE 3.5Å; E59-K75 IonicContact OE1-NZ 3.58Å |
| 76 | N | 94.6 | Very high | 94.2 | Very high | 105 Ų | 105 | 69.5 Ų | 69.5 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.8 | 153.5 | -179.1 | -60 | -26.7 | 0 | 0 | 0 | 110.7 | W47 Y60 T74 E78 | W47-N76 WeakPolarHBondContact CZ2-O 3.24Å; Y60-N76 WeakPolarHBondContact CD2-O 3.17Å; T74-N76 PolarHBondContact OG1-N 3.42Å; T74-N76 VanDerWaalsContact OG1-N 3.08Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 WeakPolarHBondContact CB-O 3.35Å |
| 77 | T | 95.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 71.2 Ų | 71.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -89.1 | 5.8 | 173.2 | 51 | 0 | 0 | 0 | 0 | 113.2 | H46 W47 P49 Y60 | H46-T77 PolarHBondContact ND1-O 2.88Å; W47-T77 PolarHBondContact N-O 3.28Å; W47-T77 VanDerWaalsContact O-CB 3.29Å; W47-T77 WeakPolarHBondContact O-CB 3.33Å; P49-T77 HydrophobicContact CG-CG2 3.98Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å |
| 78 | E | 96.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 70.9 Ų | 70.9 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.5 | 173.8 | 61.9 | 169.4 | -146.8 | 0 | 0 | 111.1 | L44 L45 N76 | L44-E78 HydrophobicContact CD1-CB 4.29Å; L45-E78 CarbonylContact O-C 3.6Å; L45-E78 VanDerWaalsContact O-CA 3.23Å; L45-E78 WeakPolarHBondContact O-CA 3.31Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 WeakPolarHBondContact CB-O 3.35Å |
| 79 | S | 96.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 134.2 | 176.6 | -164.5 | 0 | 0 | 0 | 0 | 111.2 | L45 Y72 | L45-S79 WeakPolarHBondContact CD1-O 3.3Å; L45-S79 PolarHBondContact N-O 2.91Å; L45-S79 PolarHBondContact O-N 3.45Å; Y72-S79 WeakPolarHBondContact CE2-OG 3.47Å; Y72-S79 WeakPolarHBondContact OH-CB 3.45Å; Y72-S79 PolarHBondContact OH-OG 2.69Å |
| 80 | K | 94.4 | Very high | 94.6 | Very high | 166 Ų | 166 | 57.7 Ų | 57.7 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.7 | 177.3 | -68.8 | 176.8 | -175.8 | 173.1 | 0 | 109.1 | V43 L44 | V43-K80 WeakPolarHBondContact O-CA 3.25Å; L44-K80 HydrophobicContact CD1-CG 3.67Å |
| 81 | C | 93.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | Q42 V43 L45 I64 Y72 | Q42-C81 WeakPolarHBondContact CA-O 3.48Å; V43-C81 HydrophobicContact CG2-CB 3.72Å; V43-C81 PolarHBondContact N-O 3.49Å; V43-C81 PolarHBondContact O-N 3.39Å; L45-C81 HydrophobicContact CD1-CB 4.15Å; L45-C81 WeakPolarHBondContact CD1-SG 3.27Å; I64-C81 HydrophobicContact CD1-CB 4.36Å; Y72-C81 PolarHBondContact OH-SG 3.34Å; Y72-C81 VanDerWaalsContact OH-SG 3.34Å |
| 82 | V | 93.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.7 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | A41 Q42 L225 | A41-V82 CarbonylContact O-C 3.56Å; A41-V82 VanDerWaalsContact O-CA 3.27Å; A41-V82 WeakPolarHBondContact O-CA 3.45Å; Q42-V82 HydrophobicContact CG-CG2 4.32Å; V82-L225 HydrophobicContact CG1-CD1 3.91Å; V82-L225 HydrophobicContact CG1-CD2 3.72Å |
| 83 | T | 94.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | trans | -158.8 | 147.1 | -172.1 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | A41 V43 P67 L85 F89 | A41-T83 CarbonylContact C-O 3.59Å; A41-T83 VanDerWaalsContact C-O 3.29Å; A41-T83 WeakPolarHBondContact CA-O 3.49Å; A41-T83 WeakPolarHBondContact CB-O 3.3Å; A41-T83 PolarHBondContact O-N 3.13Å; V43-T83 HydrophobicContact CG2-CG2 4.11Å; P67-T83 WeakPolarHBondContact CG-OG1 2.95Å; T83-L85 HydrophobicContact CG2-CD2 3.78Å; T83-F89 HydrophobicContact CG2-CD2 3.49Å; T83-F89 VanDerWaalsContact CG2-CD2 3.49Å; T83-F89 HydrophobicContact CG2-CE2 3.57Å; T83-F89 HydrophobicContact CG2-CG 4.46Å | ||
| 84 | P | 94.3 | Very high | 95 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | trans | -60.6 | 137.8 | 174.5 | -21 | 34 | 0 | 0 | 0 | 112.1 | D223 L225 | P84-D223 HydrophobicContact CB-CB 4.04Å; P84-L225 HydrophobicContact CG-CD1 4.32Å; P84-L225 HydrophobicContact CG-CG 4.36Å | ||
| 85 | L | 94.4 | Very high | 95 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -117.3 | 9.5 | -175.2 | -56.6 | 176.8 | 0 | 0 | 0 | 113.6 | A37 V43 T83 E87 F89 L113 P116 D223 | A37-L85 HydrophobicContact CB-CD1 4.17Å; V43-L85 HydrophobicContact CG1-CD1 3.83Å; V43-L85 HydrophobicContact CG1-CD2 3.44Å; V43-L85 VanDerWaalsContact CG1-CD2 3.44Å; V43-L85 HydrophobicContact CG1-CG 4.28Å; T83-L85 HydrophobicContact CG2-CD2 3.78Å; L85-E87 PolarHBondContact O-N 3.06Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; L85-L113 HydrophobicContact CD2-CD2 4.38Å; L85-P116 WeakPolarHBondContact O-CD 3.31Å; L85-P116 WeakPolarHBondContact O-CG 3.44Å; L85-D223 WeakPolarHBondContact CA-OD2 3.2Å; L85-D223 WeakPolarHBondContact CB-OD2 3.46Å; L85-D223 PolarHBondContact N-OD2 3.32Å | ||
| 86 | H | 91.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -74.8 | -7.2 | 174.5 | 71.4 | -85 | 0 | 0 | 0 | 113.3 | K220 P221 D223 | H86-K220 WeakPolarHBondContact O-CE 3.43Å; H86-P221 WeakPolarHBondContact CB-O 3.18Å; H86-D223 HydrophobicContact CB-CB 4.24Å; H86-D223 PolarHBondContact CE1-O 2.73Å; H86-D223 PolarHBondContact N-OD2 3.07Å; H86-D223 PolarHBondContact ND1-N 2.89Å; H86-D223 PolarHBondContact ND1-O 3.38Å |
| 87 | E | 90.9 | Very high | 94.6 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -118.2 | -179.7 | 171.2 | -57.1 | -163.2 | 149.9 | 0 | 0 | 110.3 | L85 | L85-E87 PolarHBondContact O-N 3.06Š|
| 88 | C | 93.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 41 Ų | 41 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | trans | -65 | 141.8 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | V66 L113 | V66-C88 VanDerWaalsContact CG1-O 3.25Å; V66-C88 WeakPolarHBondContact CG1-O 3.21Å; C88-L113 PolarHBondContact SG-O 3.29Å | ||
| 89 | F | 96.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.9 | 168.6 | 176.5 | -88.8 | 0 | 0 | 0 | 108.8 | I35 V43 L45 I64 V66 T83 L85 A91 E112 L113 | I35-F89 HydrophobicContact CD1-CD1 3.98Å; I35-F89 HydrophobicContact CD1-CE1 3.92Å; I35-F89 HydrophobicContact CG1-CE1 4.46Å; I35-F89 HydrophobicContact CG2-CD1 3.73Å; I35-F89 HydrophobicContact CG2-CE1 3.86Å; V43-F89 HydrophobicContact CG2-CD1 4.45Å; V43-F89 HydrophobicContact CG2-CE1 3.94Å; V43-F89 HydrophobicContact CG2-CE2 4.17Å; V43-F89 HydrophobicContact CG2-CZ 3.79Å; L45-F89 HydrophobicContact CD1-CE1 4.46Å; L45-F89 HydrophobicContact CD1-CZ 4.38Å; I64-F89 HydrophobicContact CD1-CE2 4.49Å; I64-F89 HydrophobicContact CG1-CZ 4.44Å; I64-F89 HydrophobicContact CG2-CD2 4.49Å; I64-F89 HydrophobicContact CG2-CE2 3.69Å; I64-F89 HydrophobicContact CG2-CZ 4.15Å; V66-F89 WeakPolarHBondContact O-CA 3.19Å; V66-F89 VanDerWaalsContact O-CD2 3.31Å; V66-F89 WeakPolarHBondContact O-CD2 3.37Å; T83-F89 HydrophobicContact CG2-CD2 3.49Å; T83-F89 VanDerWaalsContact CG2-CD2 3.49Å; T83-F89 HydrophobicContact CG2-CE2 3.57Å; T83-F89 HydrophobicContact CG2-CG 4.46Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; F89-A91 HydrophobicContact CE1-CB 4.01Å; F89-A91 HydrophobicContact CZ-CB 4.25Å; F89-E112 CarbonylContact O-C 3.6Å; F89-E112 WeakPolarHBondContact O-CA 3.26Å; F89-L113 HydrophobicContact CB-CB 4.29Å; F89-L113 PolarHBondContact N-O 3.39Å; F89-L113 PolarHBondContact O-N 2.9Å |
| 90 | A | 97.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N65 V66 E112 | N65-A90 HydrophobicContact CB-CB 4.35Å; N65-A90 PolarHBondContact N-O 3.3Å; V66-A90 HydrophobicContact CB-CB 4.35Å; V66-A90 HydrophobicContact CG2-CB 4.42Å; V66-A90 PolarHBondContact N-O 2.95Å; V66-A90 PolarHBondContact O-N 3.19Å; A90-E112 HydrophobicContact CB-CB 4.26Å |
| 91 | A | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 161.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F33 I35 L45 K63 F89 S110 A111 | F33-A91 WeakPolarHBondContact CE1-O 3.34Å; F33-A91 HydrophobicContact CZ-CB 4.07Å; I35-A91 HydrophobicContact CD1-CB 4.09Å; L45-A91 HydrophobicContact CD2-CB 3.79Å; K63-A91 CarbonylContact O-C 3.48Å; K63-A91 VanDerWaalsContact O-CA 3.24Å; K63-A91 WeakPolarHBondContact O-CA 3.27Å; F89-A91 HydrophobicContact CE1-CB 4.01Å; F89-A91 HydrophobicContact CZ-CB 4.25Å; A91-S110 WeakPolarHBondContact O-CA 3.42Å; A91-A111 PolarHBondContact N-O 2.85Å; A91-A111 VanDerWaalsContact N-O 3.09Å; A91-A111 PolarHBondContact O-N 3.44Å |
| 92 | S | 98.1 | Very high | 87.9 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.7 | 177.6 | -54.5 | 0 | 0 | 0 | 0 | 109.6 | K63 N65 V109 S110 | K63-S92 PolarHBondContact N-O 3.25Å; K63-S92 PolarHBondContact O-N 3.03Å; N65-S92 PolarHBondContact ND2-OG 3.48Å; S92-V109 CarbonylContact C-O 3.54Å; S92-V109 WeakPolarHBondContact CA-O 3.35Å; S92-S110 WeakPolarHBondContact CB-OG 3.5Å; S92-S110 PolarHBondContact OG-OG 2.81Å |
| 93 | V | 97.8 | Very high | 87 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.1 | 176.4 | 62 | 0 | 0 | 0 | 0 | 110.1 | P30 F33 W47 Y60 H61 V62 V109 | P30-V93 HydrophobicContact CG-CG1 3.75Å; P30-V93 HydrophobicContact CG-CG2 4.25Å; F33-V93 HydrophobicContact CB-CG1 4.24Å; F33-V93 HydrophobicContact CD1-CG1 3.92Å; F33-V93 HydrophobicContact CD2-CG1 3.67Å; F33-V93 HydrophobicContact CE1-CG1 4.16Å; F33-V93 HydrophobicContact CE2-CG1 3.93Å; F33-V93 HydrophobicContact CG-CG1 3.67Å; F33-V93 HydrophobicContact CZ-CG1 4.17Å; W47-V93 HydrophobicContact CD2-CG1 4.38Å; W47-V93 HydrophobicContact CD2-CG2 4.04Å; W47-V93 HydrophobicContact CE3-CG1 4.46Å; W47-V93 HydrophobicContact CE3-CG2 4.33Å; W47-V93 HydrophobicContact CG-CG1 4.44Å; W47-V93 HydrophobicContact CH2-CG2 4.35Å; W47-V93 HydrophobicContact CZ2-CG2 4.04Å; W47-V93 HydrophobicContact CZ3-CG2 4.49Å; Y60-V93 HydrophobicContact CD1-CG2 4.5Å; H61-V93 WeakPolarHBondContact O-CA 3.36Å; V62-V93 HydrophobicContact CG2-CG2 4.03Å; V93-V109 PolarHBondContact N-O 3.32Å; V93-V109 PolarHBondContact O-N 3.44Å |
| 94 | R | 95.8 | Very high | 86.6 | Confident | 65 Ų | 65 | 53 Ų | 53 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.4 | 173.8 | 65.4 | 176.4 | 178.5 | -174.1 | -7.6 | 110.9 | Y60 H61 I96 S106 S107 W108 | Y60-R94 WeakPolarHBondContact CA-O 3.46Å; H61-R94 HydrophobicContact CB-CG 4.02Å; H61-R94 PolarHBondContact N-O 3.4Å; H61-R94 PolarHBondContact O-N 3.32Å; R94-I96 HydrophobicContact CG-CG2 4.27Å; R94-S106 WeakPolarHBondContact CB-OG 3Å; R94-S107 WeakPolarHBondContact CB-O 3.27Å; R94-W108 HydrophobicContact CB-CD2 4.15Å; R94-W108 HydrophobicContact CB-CE3 3.92Å; R94-W108 HydrophobicContact CB-CZ3 4.42Å; R94-W108 HydrophobicContact CG-CD2 4.11Å; R94-W108 HydrophobicContact CG-CE3 3.85Å; R94-W108 HydrophobicContact CG-CH2 4.19Å; R94-W108 HydrophobicContact CG-CZ2 4.35Å; R94-W108 HydrophobicContact CG-CZ3 3.9Å |
| 95 | T | 94.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.9 | 173 | -47.5 | 0 | 0 | 0 | 0 | 109.1 | L27 L28 P30 L58 Y60 A105 S106 | L27-T95 HydrophobicContact CD2-CG2 4.14Å; L28-T95 WeakPolarHBondContact O-CB 3.49Å; L28-T95 PolarHBondContact O-OG1 3.49Å; P30-T95 WeakPolarHBondContact CD-OG1 3.47Å; L58-T95 HydrophobicContact CB-CG2 4.09Å; L58-T95 HydrophobicContact CD1-CG2 4.15Å; L58-T95 HydrophobicContact CD2-CG2 3.86Å; L58-T95 HydrophobicContact CG-CG2 4.24Å; Y60-T95 HydrophobicContact CE1-CG2 4.48Å; T95-A105 WeakPolarHBondContact O-CA 3.49Å; T95-S106 PolarHBondContact N-OG 3.24Å; T95-S106 PolarHBondContact O-N 2.68Å |
| 96 | I | 92.4 | Very high | 86.5 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.8 | 174.5 | 58.9 | 161.7 | 0 | 0 | 0 | 110.3 | E59 H61 D73 R94 L104 A105 | E59-I96 HydrophobicContact CB-CD1 4.05Å; E59-I96 HydrophobicContact CB-CG1 3.67Å; E59-I96 PolarHBondContact N-O 3.05Å; E59-I96 VanDerWaalsContact N-O 3.11Å; E59-I96 WeakPolarHBondContact O-CG1 3.4Å; E59-I96 PolarHBondContact O-N 2.79Å; E59-I96 VanDerWaalsContact O-O 3.1Å; H61-I96 HydrophobicContact CB-CD1 4.11Å; H61-I96 HydrophobicContact CB-CG1 4.28Å; H61-I96 HydrophobicContact CB-CG2 3.71Å; D73-I96 HydrophobicContact CB-CD1 4.45Å; R94-I96 HydrophobicContact CG-CG2 4.27Å; I96-L104 WeakPolarHBondContact CA-O 3.24Å; I96-A105 HydrophobicContact CG2-CB 4.09Å |
| 97 | L | 87.9 | Confident | 86.6 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.7 | 170.6 | -174 | 68.7 | 0 | 0 | 0 | 108.6 | F25 L27 V56 S99 L104 | F25-L97 HydrophobicContact CD1-CD2 4.19Å; F25-L97 HydrophobicContact CE1-CD2 3.69Å; F25-L97 HydrophobicContact CZ-CD2 4.39Å; L27-L97 HydrophobicContact CD1-CB 3.74Å; L27-L97 HydrophobicContact CD2-CB 4.28Å; L27-L97 HydrophobicContact CG-CB 4.48Å; V56-L97 HydrophobicContact CG1-CD1 3.85Å; L97-S99 PolarHBondContact O-N 3.33Å; L97-S99 VanDerWaalsContact O-N 3.09Å; L97-L104 HydrophobicContact CB-CB 4.44Å; L97-L104 PolarHBondContact N-O 3.15Å; L97-L104 PolarHBondContact O-N 3.33Å |
| 98 | K | 76.5 | Confident | 87 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 52% | 0.522 | 31% | 0.307 | S | S | . | . | trans | -77.1 | 95.7 | 179 | -72.1 | 179.7 | 175.8 | 155 | 0 | 109.5 | E59 D73 | E59-K98 VanDerWaalsContact OE2-CD 3.26Å; E59-K98 WeakPolarHBondContact OE2-CD 3.38Å; E59-K98 WeakPolarHBondContact OE2-CE 3.44Å; E59-K98 IonicContact OE2-NZ 3.15Å; E59-K98 PolarHBondContact OE2-NZ 2.98Å; D73-K98 WeakPolarHBondContact OD2-CE 3.31Å; D73-K98 IonicContact OD2-NZ 2.75Å; D73-K98 PolarHBondContact OD2-NZ 3.35Å | ||
| 99 | S | 69.3 | Low | 87.2 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -105.9 | 148.8 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L97 H101 S102 | L97-S99 PolarHBondContact O-N 3.33Å; L97-S99 VanDerWaalsContact O-N 3.09Å; S99-H101 PolarHBondContact O-N 2.96Å; S99-S102 WeakPolarHBondContact CB-O 3.27Å | ||
| 100 | I | 59.5 | Low | 87.2 | Confident | 164 Ų | 164 | 59.3 Ų | 59.3 | 84% | 0.841 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -63.7 | -26.6 | -178.2 | -60.5 | 170.9 | 0 | 0 | 0 | 111.7 | ||
| 101 | H | 66.1 | Low | 87.2 | Confident | 169 Ų | 169 | 59.6 Ų | 59.6 | 78% | 0.782 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -100.9 | -24.9 | -171.9 | -58.5 | -55.2 | 0 | 0 | 0 | 114 | S99 | S99-H101 PolarHBondContact O-N 2.96Š|
| 102 | S | 64.3 | Low | 87.1 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | trans | -173.4 | 136.9 | 168.5 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | S99 L104 | S99-S102 WeakPolarHBondContact CB-O 3.27Å; S102-L104 PolarHBondContact O-N 3.36Å | ||
| 103 | P | 74.8 | Confident | 87 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | trans | -68.7 | 120.5 | 172 | 27.4 | -31.1 | 0 | 0 | 0 | 109.3 | ||||
| 104 | L | 86.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140.9 | 171.1 | -68.1 | 169.9 | 0 | 0 | 0 | 108.5 | F25 L27 I96 L97 S102 | F25-L104 HydrophobicContact CB-CD1 4.38Å; F25-L104 HydrophobicContact CD1-CD1 3.87Å; L27-L104 VanDerWaalsContact CD1-C 3.43Å; L27-L104 HydrophobicContact CD1-CB 3.62Å; L27-L104 VanDerWaalsContact CD1-O 3.23Å; L27-L104 WeakPolarHBondContact CD1-O 3.32Å; L27-L104 HydrophobicContact CG-CB 4.25Å; I96-L104 WeakPolarHBondContact CA-O 3.24Å; L97-L104 HydrophobicContact CB-CB 4.44Å; L97-L104 PolarHBondContact N-O 3.15Å; L97-L104 PolarHBondContact O-N 3.33Å; S102-L104 PolarHBondContact O-N 3.36Å |
| 105 | A | 90.9 | Very high | 86.6 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T95 I96 | T95-A105 WeakPolarHBondContact O-CA 3.49Å; I96-A105 HydrophobicContact CG2-CB 4.09Å |
| 106 | S | 94 | Very high | 86.5 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | trans | -78 | 178.1 | 172.6 | 72.8 | 0 | 0 | 0 | 0 | 112 | L27 L28 P29 R94 T95 | L27-S106 WeakPolarHBondContact O-CA 3.29Å; L27-S106 WeakPolarHBondContact O-CB 3.48Å; L28-S106 VanDerWaalsContact C-CB 3.5Å; P29-S106 WeakPolarHBondContact CA-OG 3.4Å; R94-S106 WeakPolarHBondContact CB-OG 3Å; T95-S106 PolarHBondContact N-OG 3.24Å; T95-S106 PolarHBondContact O-N 2.68Å | ||
| 107 | S | 95.2 | Very high | 86.5 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | trans | -63.5 | 158.8 | 162.3 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | P29 R94 | P29-S107 WeakPolarHBondContact CG-OG 3.47Å; R94-S107 WeakPolarHBondContact CB-O 3.27Å | ||
| 108 | W | 97.4 | Very high | 86.5 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | trans | -80.3 | 143 | 175.2 | -67.9 | 100.9 | 0 | 0 | 0 | 111.6 | H61 K63 R94 | H61-W108 AromaticContact CD2-CH2 3.3Å; H61-W108 WeakPolarHBondContact CD2-CH2 3.29Å; H61-W108 AromaticContact CD2-CZ2 3.97Å; H61-W108 AromaticContact NE2-CH2 3.86Å; K63-W108 HydrophobicContact CB-CH2 3.65Å; K63-W108 HydrophobicContact CB-CZ3 3.76Å; K63-W108 HydrophobicContact CD-CH2 4.29Å; R94-W108 HydrophobicContact CB-CD2 4.15Å; R94-W108 HydrophobicContact CB-CE3 3.92Å; R94-W108 HydrophobicContact CB-CZ3 4.42Å; R94-W108 HydrophobicContact CG-CD2 4.11Å; R94-W108 HydrophobicContact CG-CE3 3.85Å; R94-W108 HydrophobicContact CG-CH2 4.19Å; R94-W108 HydrophobicContact CG-CZ2 4.35Å; R94-W108 HydrophobicContact CG-CZ3 3.9Å | ||
| 109 | V | 97.8 | Very high | 87.1 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 24% | 0.242 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.5 | 165.1 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | P29 P30 F33 S92 V93 | P29-V109 HydrophobicContact CB-CG2 3.63Å; P30-V109 WeakPolarHBondContact O-CG2 3.46Å; F33-V109 HydrophobicContact CB-CG1 3.77Å; F33-V109 HydrophobicContact CD1-CG1 4.27Å; F33-V109 HydrophobicContact CG-CG1 4.48Å; S92-V109 CarbonylContact C-O 3.54Å; S92-V109 WeakPolarHBondContact CA-O 3.35Å; V93-V109 PolarHBondContact N-O 3.32Å; V93-V109 PolarHBondContact O-N 3.44Å |
| 110 | S | 97.6 | Very high | 88 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.5 | -174 | -54 | 0 | 0 | 0 | 0 | 111 | A91 S92 | A91-S110 WeakPolarHBondContact O-CA 3.42Å; S92-S110 WeakPolarHBondContact CB-OG 3.5Å; S92-S110 PolarHBondContact OG-OG 2.81Å |
| 111 | A | 97 | Very high | 89.4 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 19% | 0.19 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 157.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109 | F33 I35 A91 | F33-A111 HydrophobicContact CD1-CB 3.58Å; F33-A111 HydrophobicContact CE1-CB 3.64Å; F33-A111 HydrophobicContact CG-CB 4.36Å; F33-A111 HydrophobicContact CZ-CB 4.45Å; I35-A111 VanDerWaalsContact CD1-C 3.46Å; I35-A111 HydrophobicContact CD1-CB 3.73Å; I35-A111 WeakPolarHBondContact CD1-O 3.38Å; I35-A111 HydrophobicContact CG1-CB 3.92Å; A91-A111 PolarHBondContact N-O 2.85Å; A91-A111 VanDerWaalsContact N-O 3.09Å; A91-A111 PolarHBondContact O-N 3.44Å |
| 112 | E | 96.4 | Very high | 90.8 | Very high | 122 Ų | 122 | 65.9 Ų | 65.9 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.7 | 178.5 | 61 | 172.9 | -154.1 | 0 | 0 | 111.5 | F89 A90 | F89-E112 CarbonylContact O-C 3.6Å; F89-E112 WeakPolarHBondContact O-CA 3.26Å; A90-E112 HydrophobicContact CB-CB 4.26Å |
| 113 | L | 95.2 | Very high | 92.2 | Very high | 50 Ų | 50 | 63.7 Ų | 63.7 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.8 | 166.3 | -178.7 | 68.1 | 0 | 0 | 0 | 107.6 | I35 A37 V43 L85 C88 F89 | I35-L113 HydrophobicContact CG2-CB 4.11Å; A37-L113 HydrophobicContact CB-CD2 4.14Å; V43-L113 HydrophobicContact CG1-CD2 4.23Å; L85-L113 HydrophobicContact CD2-CD2 4.38Å; C88-L113 PolarHBondContact SG-O 3.29Å; F89-L113 HydrophobicContact CB-CB 4.29Å; F89-L113 PolarHBondContact N-O 3.39Å; F89-L113 PolarHBondContact O-N 2.9Å |
| 114 | K | 93.9 | Very high | 93.3 | Very high | 162 Ų | 162 | 58.8 Ų | 58.8 | 70% | 0.704 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 146.4 | -177.6 | -64.4 | -174.2 | 178.7 | -177.2 | 0 | 111.3 | ||
| 115 | A | 92.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 116 | P | 92.3 | Very high | 94 | Very high | 45 Ų | 45 | 62 Ų | 62 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.6 | 174.5 | -23.9 | 33.8 | 0 | 0 | 0 | 112.3 | L85 P221 | L85-P116 WeakPolarHBondContact O-CD 3.31Å; L85-P116 WeakPolarHBondContact O-CG 3.44Å; P116-P221 HydrophobicContact CB-CG 3.57Å; P116-P221 HydrophobicContact CG-CG 3.8Å |
| 117 | P | 91.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 62 Ų | 62 | 69% | 0.688 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 144.7 | 179.2 | 28.9 | -35 | 0 | 0 | 0 | 111.6 | ||
| 118 | G | 88.8 | Confident | 94.3 | Very high | 30 Ų | 30 | 62.1 Ų | 62.1 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | trans | 158.3 | 143.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A218 | G118-A218 WeakPolarHBondContact CA-O 3.09Š| ||
| 119 | S | 87.9 | Confident | 94.3 | Very high | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 143.6 | -179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | G121 T122 A218 | S119-G121 PolarHBondContact O-N 3.16Å; S119-T122 WeakPolarHBondContact O-CB 3.42Å; S119-T122 PolarHBondContact O-N 2.69Å; S119-T122 PolarHBondContact O-OG1 2.84Å; S119-A218 PolarHBondContact N-O 3.21Å |
| 120 | S | 88.3 | Confident | 94.2 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 76% | 0.755 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 139 | 170.4 | -63 | 0 | 0 | 0 | 0 | 110.5 | T122 | S120-T122 VanDerWaalsContact C-N 3.3Å; S120-T122 PolarHBondContact O-N 3.08Å |
| 121 | G | 89.9 | Confident | 94.1 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -10.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | S119 G155 K156 D157 | S119-G121 PolarHBondContact O-N 3.16Å; G121-G155 CarbonylContact O-C 3.57Å; G121-G155 VanDerWaalsContact O-CA 3.24Å; G121-G155 WeakPolarHBondContact O-CA 2.98Å; G121-K156 PolarHBondContact O-N 2.87Å; G121-D157 WeakPolarHBondContact CA-OD2 3.47Å; G121-D157 PolarHBondContact O-N 2.86Å |
| 122 | T | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | trans | -80.5 | -23.4 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | S119 S120 Y164 T219 K220 | S119-T122 WeakPolarHBondContact O-CB 3.42Å; S119-T122 PolarHBondContact O-N 2.69Å; S119-T122 PolarHBondContact O-OG1 2.84Å; S120-T122 VanDerWaalsContact C-N 3.3Å; S120-T122 PolarHBondContact O-N 3.08Å; T122-Y164 PolarHBondContact O-OH 2.96Å; T122-Y164 VanDerWaalsContact O-OH 3.13Å; T122-T219 WeakPolarHBondContact O-CG2 3.49Å; T122-K220 PolarHBondContact OG1-N 2.98Å | ||
| 123 | S | 95.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -64 | 148.9 | 179.1 | -159 | 0 | 0 | 0 | 0 | 111.8 | G155 K220 P221 | S123-G155 WeakPolarHBondContact O-CA 3.29Å; S123-K220 VanDerWaalsContact CA-O 3.24Å; S123-K220 WeakPolarHBondContact CA-O 3.29Å; S123-K220 VanDerWaalsContact CB-O 3.26Å; S123-K220 WeakPolarHBondContact CB-O 3.37Å; S123-K220 PolarHBondContact OG-O 3.18Å; S123-P221 PolarHBondContact OG-O 3.49Å |
| 124 | V | 96.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | trans | -64 | 152.5 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 111 | W152 L153 Y164 I210 L222 | V124-W152 HydrophobicContact CB-CB 4.25Å; V124-W152 HydrophobicContact CB-CG 4.18Å; V124-W152 VanDerWaalsContact CG1-CD1 3.48Å; V124-W152 HydrophobicContact CG1-CG 4.23Å; V124-L153 WeakPolarHBondContact CA-O 3.47Å; V124-Y164 HydrophobicContact CG1-CD1 3.37Å; V124-Y164 HydrophobicContact CG1-CD2 4.31Å; V124-Y164 HydrophobicContact CG1-CE1 3.24Å; V124-Y164 HydrophobicContact CG1-CE2 4.21Å; V124-Y164 HydrophobicContact CG1-CG 3.91Å; V124-I210 HydrophobicContact CG1-CG2 3.87Å; V124-I210 HydrophobicContact CG2-CB 4.11Å; V124-I210 HydrophobicContact CG2-CD1 4.03Å; V124-I210 HydrophobicContact CG2-CG2 4.13Å; V124-L222 HydrophobicContact CG2-CB 3.7Å; V124-L222 HydrophobicContact CG2-CD2 3.52Å; V124-L222 HydrophobicContact CG2-CG 4.25Å | ||
| 125 | M | 95.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 157.1 | -179.3 | -60.1 | -175.7 | -67.5 | 0 | 0 | 111 | L127 L153 V154 K156 | M125-L127 VanDerWaalsContact C-N 3.31Å; M125-L127 PolarHBondContact O-N 3.11Å; M125-L153 HydrophobicContact CB-CB 4.29Å; M125-L153 PolarHBondContact N-O 3.3Å; M125-L153 PolarHBondContact O-N 2.96Å; M125-V154 VanDerWaalsContact CE-O 3.27Å; M125-V154 WeakPolarHBondContact CE-O 3.36Å; M125-K156 HydrophobicContact CE-CD 4.36Å; M125-K156 HydrophobicContact CE-CG 3.46Å; M125-K156 VanDerWaalsContact CE-CG 3.46Å; M125-K156 HydrophobicContact SD-CD 4.2Å; M125-K156 HydrophobicContact SD-CG 3.77Å |
| 126 | N | 96.4 | Very high | 92.7 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 46.6 | 173.5 | -62.5 | -6.2 | 0 | 0 | 0 | 113.4 | T128 L153 | N126-T128 PolarHBondContact O-N 2.57Å; N126-L153 HydrophobicContact CB-CD1 4.21Å; N126-L153 HydrophobicContact CB-CG 4.33Å; N126-L153 WeakPolarHBondContact ND2-CD1 3.49Å |
| 127 | L | 97.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 119.4 | 172.6 | 176.4 | 58.9 | 0 | 0 | 0 | 109.5 | M125 C150 T151 W152 V208 I210 L222 Q224 F226 | M125-L127 VanDerWaalsContact C-N 3.31Å; M125-L127 PolarHBondContact O-N 3.11Å; L127-C150 HydrophobicContact CD1-CB 4.2Å; L127-T151 WeakPolarHBondContact CA-O 3.46Å; L127-W152 HydrophobicContact CD1-CB 4.34Å; L127-W152 HydrophobicContact CD1-CE3 4.29Å; L127-V208 HydrophobicContact CD2-CB 4.32Å; L127-V208 HydrophobicContact CD2-CG1 3.9Å; L127-I210 HydrophobicContact CD1-CD1 3.58Å; L127-I210 HydrophobicContact CD2-CD1 3.99Å; L127-I210 HydrophobicContact CG-CD1 4.31Å; L127-L222 HydrophobicContact CB-CD2 3.85Å; L127-L222 HydrophobicContact CD2-CD2 4.07Å; L127-Q224 HydrophobicContact CD2-CB 4.11Å; L127-F226 HydrophobicContact CD2-CE2 4.19Å; L127-F226 HydrophobicContact CD2-CZ 4.29Å; L127-F226 HydrophobicContact CG-CE2 4.44Å; L127-F226 HydrophobicContact CG-CZ 4.13Å |
| 128 | T | 97.6 | Very high | 90.2 | Very high | 78 Ų | 78 | 52 Ų | 52 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.4 | 174.3 | 55 | 0 | 0 | 0 | 0 | 109.3 | N126 C150 T151 | N126-T128 PolarHBondContact O-N 2.57Å; T128-C150 CarbonylContact O-C 3.52Å; T128-C150 VanDerWaalsContact O-CA 3.25Å; T128-C150 WeakPolarHBondContact O-CA 3.29Å; T128-T151 PolarHBondContact N-O 3.46Å; T128-T151 PolarHBondContact O-N 3.11Å; T128-T151 PolarHBondContact OG1-OG1 2.99Å |
| 129 | C | 97.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.4 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 111 | L148 R149 C150 F226 I231 | C129-L148 HydrophobicContact CB-CD1 4.06Å; C129-R149 CarbonylContact C-O 3.59Å; C129-R149 WeakPolarHBondContact CA-O 3.4Å; C129-C150 HydrophobicContact CB-CB 4.22Å; C129-C150 WeakPolarHBondContact CB-SG 3.41Å; C129-C150 WeakPolarHBondContact SG-CB 2.91Å; C129-C150 CovalentContact SG-SG 2.05Å; C129-C150 PolarHBondContact SG-SG 2.97Å; C129-F226 HydrophobicContact CB-CE1 4.48Å; C129-F226 HydrophobicContact CB-CE2 4.29Å; C129-F226 HydrophobicContact CB-CZ 4.25Å; C129-I231 WeakPolarHBondContact O-CB 3.29Å; C129-I231 VanDerWaalsContact O-CG2 3.31Å; C129-I231 WeakPolarHBondContact O-CG2 3.48Å |
| 130 | T | 96.1 | Very high | 87.5 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.2 | 174.1 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | L148 R149 I231 | T130-L148 WeakPolarHBondContact O-CA 3.29Å; T130-R149 PolarHBondContact N-O 3.1Å; T130-R149 PolarHBondContact O-N 2.9Å; T130-I231 CarbonylContact C-O 3.29Å; T130-I231 WeakPolarHBondContact CA-O 3.34Å |
| 131 | T | 95.7 | Very high | 86.2 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.5 | 172.4 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | V146 S147 L148 I198 I231 D232 Q233 | T131-V146 HydrophobicContact CG2-CG1 4.11Å; T131-S147 VanDerWaalsContact CA-O 3.23Å; T131-S147 WeakPolarHBondContact CA-O 3.39Å; T131-L148 HydrophobicContact CG2-CD1 3.79Å; T131-I198 HydrophobicContact CG2-CD1 4.3Å; T131-I231 HydrophobicContact CG2-CD1 3.81Å; T131-I231 HydrophobicContact CG2-CG1 4.27Å; T131-I231 PolarHBondContact N-O 3.25Å; T131-D232 VanDerWaalsContact OG1-CA 3.3Å; T131-D232 WeakPolarHBondContact OG1-CA 3.32Å; T131-Q233 PolarHBondContact O-N 3.4Å |
| 132 | N | 94.2 | Very high | 85.2 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.3 | 173.5 | -176.2 | -91.4 | 0 | 0 | 0 | 110.6 | S147 Q233 N235 | N132-S147 PolarHBondContact N-O 2.78Å; N132-S147 PolarHBondContact O-N 3.08Å; N132-S147 PolarHBondContact O-OG 2.9Å; N132-Q233 PolarHBondContact ND2-O 2.76Å; N132-N235 PolarHBondContact ND2-OD1 3.24Å; N132-N235 PolarHBondContact OD1-OD1 2.84Å |
| 133 | T | 93.5 | Very high | 84.5 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.7 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | Y144 Q145 N235 | T133-Y144 HydrophobicContact CG2-CD1 3.91Å; T133-Y144 HydrophobicContact CG2-CG 4.17Å; T133-Q145 CarbonylContact C-O 3.57Å; T133-Q145 WeakPolarHBondContact CA-O 3.43Å; T133-N235 PolarHBondContact O-ND2 3.18Å |
| 134 | V | 91 | Very high | 84.1 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 24% | 0.242 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 159.8 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 111 | Y144 Q145 | V134-Y144 WeakPolarHBondContact O-CA 3.24Å; V134-Q145 HydrophobicContact CG2-CB 3.87Å; V134-Q145 PolarHBondContact N-O 2.95Å; V134-Q145 PolarHBondContact O-N 2.84Å |
| 135 | K | 86.2 | Confident | 83.9 | Confident | 164 Ų | 164 | 79.2 Ų | 79.2 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130.6 | 177.3 | -170.8 | 179 | 179.7 | -176.4 | 0 | 108.6 | L257 | K135-L257 HydrophobicContact CB-CD1 4.33Å; K135-L257 HydrophobicContact CB-CD2 4.28Å |
| 136 | S | 81.4 | Confident | 83.8 | Confident | 12 Ų | 12 | 76.7 Ų | 76.7 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | trans | -73.5 | 129.6 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | R142 P143 | S136-R142 WeakPolarHBondContact CB-O 3.09Å; S136-R142 PolarHBondContact OG-O 2.79Å; S136-R142 VanDerWaalsContact OG-O 3.09Å; S136-P143 PolarHBondContact N-O 3.32Å | ||
| 137 | S | 69.8 | Low | 83.7 | Confident | 93 Ų | 93 | 71 Ų | 71 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -86.6 | -16.9 | 178.5 | 49.4 | 0 | 0 | 0 | 0 | 114 | ||
| 138 | H | 61.1 | Low | 83.7 | Confident | 138 Ų | 138 | 70.5 Ų | 70.5 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -115.5 | -11.8 | -162.5 | -68.9 | -72.3 | 0 | 0 | 0 | 116.3 | ||
| 139 | T | 58.6 | Low | 83.7 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 43% | 0.429 | 35% | 0.352 | S | S | . | . | trans | -147.3 | 126.9 | -174.1 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | F141 R142 | T139-F141 PolarHBondContact O-N 2.97Å; T139-R142 CarbonylContact O-C 3.52Å; T139-R142 PolarHBondContact OG1-O 2.78Å | ||
| 140 | H | 60.8 | Low | 83.8 | Confident | 189 Ų | 189 | 73 Ų | 73 | 88% | 0.875 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.4 | 171.4 | -75.9 | -82.2 | 0 | 0 | 0 | 113.4 | ||
| 141 | F | 61.5 | Low | 83.9 | Confident | 201 Ų | 201 | 73.5 Ų | 73.5 | 88% | 0.882 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -23.7 | -175.5 | -63.8 | -76.1 | 0 | 0 | 0 | 114.8 | T139 | T139-F141 PolarHBondContact O-N 2.97Š|
| 142 | R | 69 | Low | 84 | Confident | 183 Ų | 183 | 73.7 Ų | 73.7 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | trans | -126.1 | 85.3 | 171.8 | -71.4 | -169.7 | -176.6 | -168.2 | 2.9 | 108.7 | S136 T139 Y144 | S136-R142 WeakPolarHBondContact CB-O 3.09Å; S136-R142 PolarHBondContact OG-O 2.79Å; S136-R142 VanDerWaalsContact OG-O 3.09Å; T139-R142 CarbonylContact O-C 3.52Å; T139-R142 PolarHBondContact OG1-O 2.78Å; R142-Y144 PolarHBondContact O-N 2.92Å | ||
| 143 | P | 78.8 | Confident | 84.1 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | trans | -71.3 | -14.5 | -174.7 | 25.8 | -32.5 | 0 | 0 | 0 | 113.4 | S136 | S136-P143 PolarHBondContact N-O 3.32Š| ||
| 144 | Y | 87.7 | Confident | 84.3 | Confident | 83 Ų | 83 | 77.2 Ų | 77.2 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.5 | -177.8 | -53.6 | -71 | 0 | 0 | 0 | 110.5 | T133 V134 R142 L257 S258 A259 | T133-Y144 HydrophobicContact CG2-CD1 3.91Å; T133-Y144 HydrophobicContact CG2-CG 4.17Å; V134-Y144 WeakPolarHBondContact O-CA 3.24Å; R142-Y144 PolarHBondContact O-N 2.92Å; Y144-L257 HydrophobicContact CD1-CD1 4.24Å; Y144-L257 HydrophobicContact CD1-CG 4.5Å; Y144-L257 HydrophobicContact CE1-CD1 3.85Å; Y144-L257 HydrophobicContact CE1-CG 4.42Å; Y144-S258 WeakPolarHBondContact CE1-O 3.27Å; Y144-S258 PolarHBondContact OH-O 2Å; Y144-A259 HydrophobicContact CD2-CB 3.74Å; Y144-A259 HydrophobicContact CE2-CB 4.34Å; Y144-A259 HydrophobicContact CG-CB 4.24Å |
| 145 | Q | 90.4 | Very high | 84.4 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 156.2 | 168.4 | -75.4 | 177.5 | -14.2 | 0 | 0 | 108.8 | T133 V134 R195 | T133-Q145 CarbonylContact C-O 3.57Å; T133-Q145 WeakPolarHBondContact CA-O 3.43Å; V134-Q145 HydrophobicContact CG2-CB 3.87Å; V134-Q145 PolarHBondContact N-O 2.95Å; V134-Q145 PolarHBondContact O-N 2.84Å; Q145-R195 VanDerWaalsContact OE1-CG 3.27Å |
| 146 | V | 93.9 | Very high | 84.8 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | T131 T196 I198 | T131-V146 HydrophobicContact CG2-CG1 4.11Å; V146-T196 WeakPolarHBondContact O-CB 3.25Å; V146-T196 PolarHBondContact O-N 3.13Å; V146-T196 PolarHBondContact O-OG1 3.23Å; V146-I198 HydrophobicContact CB-CB 4.09Å; V146-I198 HydrophobicContact CB-CG2 4.41Å; V146-I198 HydrophobicContact CG1-CB 4.03Å; V146-I198 HydrophobicContact CG1-CD1 4.47Å; V146-I198 HydrophobicContact CG1-CG2 4.06Å; V146-I198 WeakPolarHBondContact CG2-O 3.22Å |
| 147 | S | 95.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 151.1 | 170.7 | 67 | 0 | 0 | 0 | 0 | 109.6 | T131 N132 W192 F193 | T131-S147 VanDerWaalsContact CA-O 3.23Å; T131-S147 WeakPolarHBondContact CA-O 3.39Å; N132-S147 PolarHBondContact N-O 2.78Å; N132-S147 PolarHBondContact O-N 3.08Å; N132-S147 PolarHBondContact O-OG 2.9Å; S147-W192 WeakPolarHBondContact OG-CH2 3.43Å; S147-W192 WeakPolarHBondContact OG-CZ3 3.35Å; S147-F193 VanDerWaalsContact CA-O 3.26Å; S147-F193 WeakPolarHBondContact CA-O 3.36Å; S147-F193 WeakPolarHBondContact CB-O 3.18Å |
| 148 | L | 97.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.7 | -177.1 | 172.7 | 67.5 | 0 | 0 | 0 | 109.7 | C129 T130 T131 Y168 W192 F193 T196 I198 L206 | C129-L148 HydrophobicContact CB-CD1 4.06Å; T130-L148 WeakPolarHBondContact O-CA 3.29Å; T131-L148 HydrophobicContact CG2-CD1 3.79Å; L148-Y168 HydrophobicContact CD2-CD1 4.18Å; L148-Y168 HydrophobicContact CD2-CG 4.05Å; L148-W192 VanDerWaalsContact O-CE3 3.29Å; L148-F193 HydrophobicContact CB-CB 4.19Å; L148-F193 HydrophobicContact CB-CD2 4.11Å; L148-F193 HydrophobicContact CD2-CD2 3.86Å; L148-F193 HydrophobicContact CD2-CE2 4.11Å; L148-F193 HydrophobicContact CG-CD2 4.13Å; L148-F193 PolarHBondContact N-O 2.78Å; L148-F193 PolarHBondContact O-N 3.02Å; L148-T196 HydrophobicContact CB-CG2 3.9Å; L148-I198 HydrophobicContact CB-CD1 4.3Å; L148-I198 HydrophobicContact CD2-CD1 4.26Å; L148-L206 HydrophobicContact CD1-CD2 3.78Å; L148-L206 HydrophobicContact CD2-CD2 4.05Å |
| 149 | R | 97.8 | Very high | 88.1 | Confident | 137 Ų | 137 | 71.4 Ų | 71.4 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.8 | 169.3 | -68.9 | -179.4 | 177.9 | -142.1 | -6.5 | 108.8 | C129 T130 C191 W192 | C129-R149 CarbonylContact C-O 3.59Å; C129-R149 WeakPolarHBondContact CA-O 3.4Å; T130-R149 PolarHBondContact N-O 3.1Å; T130-R149 PolarHBondContact O-N 2.9Å; R149-C191 WeakPolarHBondContact CA-O 3.32Å; R149-W192 HydrophobicContact CB-CE3 4.28Å; R149-W192 HydrophobicContact CG-CD2 4.11Å; R149-W192 HydrophobicContact CG-CE3 3.09Å; R149-W192 HydrophobicContact CG-CH2 4.39Å; R149-W192 HydrophobicContact CG-CZ3 3.28Å; R149-W192 VanDerWaalsContact NE-CE3 3.33Å |
| 150 | C | 98.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.3 | 169.6 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | L127 T128 C129 L166 A190 C191 | L127-C150 HydrophobicContact CD1-CB 4.2Å; T128-C150 CarbonylContact O-C 3.52Å; T128-C150 VanDerWaalsContact O-CA 3.25Å; T128-C150 WeakPolarHBondContact O-CA 3.29Å; C129-C150 HydrophobicContact CB-CB 4.22Å; C129-C150 WeakPolarHBondContact CB-SG 3.41Å; C129-C150 WeakPolarHBondContact SG-CB 2.91Å; C129-C150 CovalentContact SG-SG 2.05Å; C129-C150 PolarHBondContact SG-SG 2.97Å; C150-L166 HydrophobicContact CB-CD1 3.62Å; C150-A190 CarbonylContact O-C 3.59Å; C150-A190 WeakPolarHBondContact O-CA 3.35Å; C150-A190 WeakPolarHBondContact O-CB 2.94Å; C150-C191 PolarHBondContact N-O 3.24Å; C150-C191 PolarHBondContact O-N 3.27Å |
| 151 | T | 98.3 | Very high | 91.4 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.1 | 176.7 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | L127 T128 I189 A190 | L127-T151 WeakPolarHBondContact CA-O 3.46Å; T128-T151 PolarHBondContact N-O 3.46Å; T128-T151 PolarHBondContact O-N 3.11Å; T128-T151 PolarHBondContact OG1-OG1 2.99Å; T151-I189 WeakPolarHBondContact CA-O 3.48Å; T151-A190 HydrophobicContact CG2-CB 3.76Å |
| 152 | W | 98.1 | Very high | 93 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 164.7 | 177.1 | 59.4 | 91.9 | 0 | 0 | 0 | 110.8 | V124 L127 Y164 L166 Y180 N188 I189 C191 I210 | V124-W152 HydrophobicContact CB-CB 4.25Å; V124-W152 HydrophobicContact CB-CG 4.18Å; V124-W152 VanDerWaalsContact CG1-CD1 3.48Å; V124-W152 HydrophobicContact CG1-CG 4.23Å; L127-W152 HydrophobicContact CD1-CB 4.34Å; L127-W152 HydrophobicContact CD1-CE3 4.29Å; W152-Y164 AromaticContact NE1-CD2 3.89Å; W152-Y164 AromaticContact NE1-CG 3.94Å; W152-L166 HydrophobicContact CE3-CD1 4.1Å; W152-L166 HydrophobicContact CH2-CB 4.18Å; W152-L166 HydrophobicContact CH2-CD1 4.13Å; W152-L166 HydrophobicContact CZ3-CB 4.37Å; W152-L166 HydrophobicContact CZ3-CD1 3.48Å; W152-L166 VanDerWaalsContact CZ3-CD1 3.48Å; W152-Y180 HydrophobicContact CH2-CD1 4.09Å; W152-Y180 HydrophobicContact CH2-CE1 4.05Å; W152-N188 VanDerWaalsContact CE2-O 3.32Å; W152-N188 HydrophobicContact CZ2-CB 4.04Å; W152-N188 VanDerWaalsContact CZ2-O 3.28Å; W152-N188 WeakPolarHBondContact CZ2-O 3.4Å; W152-N188 PolarHBondContact NE1-O 3.31Å; W152-I189 PolarHBondContact N-O 3.09Å; W152-C191 HydrophobicContact CH2-CB 4.06Å; W152-C191 HydrophobicContact CZ3-CB 3.97Å; W152-I210 HydrophobicContact CB-CD1 4.48Å; W152-I210 HydrophobicContact CD2-CD1 3.78Å; W152-I210 HydrophobicContact CE3-CD1 3.71Å; W152-I210 HydrophobicContact CG-CD1 4.13Å; W152-I210 HydrophobicContact CZ3-CD1 4.25Å |
| 153 | L | 97.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 145.7 | 169.4 | -60.7 | 179.2 | 0 | 0 | 0 | 109.7 | V124 M125 N126 | V124-L153 WeakPolarHBondContact CA-O 3.47Å; M125-L153 HydrophobicContact CB-CB 4.29Å; M125-L153 PolarHBondContact N-O 3.3Å; M125-L153 PolarHBondContact O-N 2.96Å; N126-L153 HydrophobicContact CB-CD1 4.21Å; N126-L153 HydrophobicContact CB-CG 4.33Å; N126-L153 WeakPolarHBondContact ND2-CD1 3.49Å |
| 154 | V | 96.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 13% | 0.127 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 144.6 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | M125 A158 Y164 R187 I189 | M125-V154 VanDerWaalsContact CE-O 3.27Å; M125-V154 WeakPolarHBondContact CE-O 3.36Å; V154-A158 HydrophobicContact CG1-CB 3.85Å; V154-Y164 HydrophobicContact CB-CE2 4.16Å; V154-Y164 HydrophobicContact CG1-CE2 3.74Å; V154-Y164 HydrophobicContact CG2-CE2 3.93Å; V154-R187 VanDerWaalsContact CG1-NH1 3.31Å; V154-I189 HydrophobicContact CG2-CG2 3.84Å |
| 155 | G | 94.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 143.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G121 S123 D157 A158 Y164 | G121-G155 CarbonylContact O-C 3.57Å; G121-G155 VanDerWaalsContact O-CA 3.24Å; G121-G155 WeakPolarHBondContact O-CA 2.98Å; S123-G155 WeakPolarHBondContact O-CA 3.29Å; G155-D157 VanDerWaalsContact C-N 3.25Å; G155-D157 PolarHBondContact O-N 2.83Å; G155-A158 WeakPolarHBondContact O-CB 3.42Å; G155-A158 PolarHBondContact O-N 2.93Å; G155-Y164 PolarHBondContact N-OH 2.87Å |
| 156 | K | 94.1 | Very high | 96.1 | Very high | 167 Ų | 167 | 46.5 Ų | 46.5 | 73% | 0.726 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -38.4 | -177 | -63.5 | -177.5 | -178.6 | 175 | 0 | 112.5 | G121 M125 | G121-K156 PolarHBondContact O-N 2.87Å; M125-K156 HydrophobicContact CE-CD 4.36Å; M125-K156 HydrophobicContact CE-CG 3.46Å; M125-K156 VanDerWaalsContact CE-CG 3.46Å; M125-K156 HydrophobicContact SD-CD 4.2Å; M125-K156 HydrophobicContact SD-CG 3.77Å |
| 157 | D | 94.1 | Very high | 96.3 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 14.9 | -176.9 | -53.6 | -46.6 | 0 | 0 | 0 | 111 | G121 G155 P159 | G121-D157 WeakPolarHBondContact CA-OD2 3.47Å; G121-D157 PolarHBondContact O-N 2.86Å; G155-D157 VanDerWaalsContact C-N 3.25Å; G155-D157 PolarHBondContact O-N 2.83Å; D157-P159 WeakPolarHBondContact O-CD 3.16Å |
| 158 | A | 93.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -71.5 | 128.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V154 G155 Y164 | V154-A158 HydrophobicContact CG1-CB 3.85Å; G155-A158 WeakPolarHBondContact O-CB 3.42Å; G155-A158 PolarHBondContact O-N 2.93Å; A158-Y164 VanDerWaalsContact CB-OH 3.25Å; A158-Y164 WeakPolarHBondContact CB-OH 3.39Å | ||
| 159 | P | 94.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 49 Ų | 49 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | trans | -51.4 | 152.4 | 172.1 | -29.6 | 35.7 | 0 | 0 | 0 | 113.2 | D157 D161 T162 S214 H216 A217 | D157-P159 WeakPolarHBondContact O-CD 3.16Å; P159-D161 WeakPolarHBondContact CB-OD1 3.34Å; P159-D161 PolarHBondContact O-N 2.82Å; P159-T162 WeakPolarHBondContact CD-OG1 3.46Å; P159-T162 VanDerWaalsContact O-CB 3.3Å; P159-T162 WeakPolarHBondContact O-CB 3.3Å; P159-T162 PolarHBondContact O-N 3.06Å; P159-T162 VanDerWaalsContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; P159-T162 VanDerWaalsContact O-OG1 3.06Å; P159-S214 WeakPolarHBondContact CB-OG 3.42Å; P159-H216 HydrophobicContact CB-CB 4.38Å; P159-H216 HydrophobicContact CG-CB 4.2Å; P159-A217 HydrophobicContact CG-CB 4.07Å | ||
| 160 | E | 93.3 | Very high | 96.2 | Very high | 153 Ų | 153 | 42.8 Ų | 42.8 | 72% | 0.715 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.6 | 179.3 | -65.9 | -173.4 | 169.4 | 0 | 0 | 112.7 | T162 L185 | E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.82Å; E160-L185 HydrophobicContact CG-CD1 4.46Å |
| 161 | D | 94.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 32% | 0.316 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.4 | 178.2 | 76.2 | -46.2 | 0 | 0 | 0 | 114 | P159 Q163 S214 K215 H216 | P159-D161 WeakPolarHBondContact CB-OD1 3.34Å; P159-D161 PolarHBondContact O-N 2.82Å; D161-Q163 PolarHBondContact O-N 2.97Å; D161-S214 VanDerWaalsContact CG-OG 3.32Å; D161-S214 PolarHBondContact OD1-OG 3.34Å; D161-S214 PolarHBondContact OD2-OG 3.05Å; D161-K215 WeakPolarHBondContact OD2-CB 3.1Å; D161-K215 PolarHBondContact OD2-N 2.84Å; D161-H216 VanDerWaalsContact CG-ND1 3.27Å; D161-H216 IonicContact OD1-CE1 2.81Å; D161-H216 IonicContact OD1-CG 3.67Å; D161-H216 IonicContact OD1-ND1 2.69Å; D161-H216 PolarHBondContact OD1-ND1 2.96Å; D161-H216 IonicContact OD2-CE1 3.82Å; D161-H216 IonicContact OD2-ND1 3.73Å; D161-H216 PolarHBondContact OD2-ND1 2.89Å |
| 162 | T | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | trans | -65.9 | 123.3 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | P159 E160 Y164 R187 S213 S214 T219 | P159-T162 WeakPolarHBondContact CD-OG1 3.46Å; P159-T162 VanDerWaalsContact O-CB 3.3Å; P159-T162 WeakPolarHBondContact O-CB 3.3Å; P159-T162 PolarHBondContact O-N 3.06Å; P159-T162 VanDerWaalsContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; P159-T162 VanDerWaalsContact O-OG1 3.06Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.82Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.44Å; T162-Y164 HydrophobicContact CG2-CE1 3.74Å; T162-Y164 HydrophobicContact CG2-CE2 3.9Å; T162-R187 WeakPolarHBondContact O-CD 3.35Å; T162-R187 VanDerWaalsContact O-CG 3.3Å; T162-R187 WeakPolarHBondContact O-CG 3.49Å; T162-S213 WeakPolarHBondContact CA-O 3.38Å; T162-S214 WeakPolarHBondContact OG1-CB 3.44Å; T162-T219 HydrophobicContact CG2-CG2 4.22Å | ||
| 163 | Q | 97.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139 | 169.4 | -171.3 | 57.6 | -88.1 | 0 | 0 | 110.7 | D161 F165 N186 N188 G212 S213 | D161-Q163 PolarHBondContact O-N 2.97Å; Q163-F165 HydrophobicContact CB-CE2 4.17Å; Q163-F165 HydrophobicContact CB-CZ 4.08Å; Q163-F165 HydrophobicContact CG-CE1 4.04Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.55Å; Q163-N186 PolarHBondContact NE2-O 2.97Å; Q163-N186 VanDerWaalsContact NE2-O 3.07Å; Q163-N188 VanDerWaalsContact OE1-CB 3.25Å; Q163-N188 PolarHBondContact OE1-ND2 2.88Å; Q163-G212 CarbonylContact O-C 3.49Å; Q163-G212 WeakPolarHBondContact O-CA 3.15Å; Q163-S213 PolarHBondContact N-O 2.83Å; Q163-S213 PolarHBondContact O-N 2.88Å |
| 164 | Y | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.6 | -178.1 | -64.5 | -72.1 | 0 | 0 | 0 | 112 | T122 V124 W152 V154 G155 A158 T162 N188 I210 N211 T219 | T122-Y164 PolarHBondContact O-OH 2.96Å; T122-Y164 VanDerWaalsContact O-OH 3.13Å; V124-Y164 HydrophobicContact CG1-CD1 3.37Å; V124-Y164 HydrophobicContact CG1-CD2 4.31Å; V124-Y164 HydrophobicContact CG1-CE1 3.24Å; V124-Y164 HydrophobicContact CG1-CE2 4.21Å; V124-Y164 HydrophobicContact CG1-CG 3.91Å; W152-Y164 AromaticContact NE1-CD2 3.89Å; W152-Y164 AromaticContact NE1-CG 3.94Å; V154-Y164 HydrophobicContact CB-CE2 4.16Å; V154-Y164 HydrophobicContact CG1-CE2 3.74Å; V154-Y164 HydrophobicContact CG2-CE2 3.93Å; G155-Y164 PolarHBondContact N-OH 2.87Å; A158-Y164 VanDerWaalsContact CB-OH 3.25Å; A158-Y164 WeakPolarHBondContact CB-OH 3.39Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.44Å; T162-Y164 HydrophobicContact CG2-CE1 3.74Å; T162-Y164 HydrophobicContact CG2-CE2 3.9Å; Y164-N188 WeakPolarHBondContact O-CB 3.46Å; Y164-N188 PolarHBondContact O-ND2 2.99Å; Y164-I210 HydrophobicContact CD1-CG2 4.16Å; Y164-N211 WeakPolarHBondContact CA-O 3.3Å; Y164-T219 HydrophobicContact CE1-CG2 3.82Å |
| 165 | F | 97.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 26% | 0.263 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.2 | 177.2 | -48 | -92 | 0 | 0 | 0 | 109.8 | Q163 Y167 Y180 I210 N211 | Q163-F165 HydrophobicContact CB-CE2 4.17Å; Q163-F165 HydrophobicContact CB-CZ 4.08Å; Q163-F165 HydrophobicContact CG-CE1 4.04Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.55Å; F165-Y167 HydrophobicContact CB-CE2 3.89Å; F165-Y180 WeakPolarHBondContact CA-OH 3.19Å; F165-I210 WeakPolarHBondContact O-CA 3.25Å; F165-N211 WeakPolarHBondContact CB-OD1 3.48Å; F165-N211 PolarHBondContact N-O 2.91Å; F165-N211 PolarHBondContact O-N 2.88Å; F165-N211 PolarHBondContact O-OD1 2.79Å |
| 166 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.4 | -176.1 | -175.4 | 156 | 0 | 0 | 0 | 110.4 | C150 W152 C177 Y180 C191 F193 V208 H209 I210 | C150-L166 HydrophobicContact CB-CD1 3.62Å; W152-L166 HydrophobicContact CE3-CD1 4.1Å; W152-L166 HydrophobicContact CH2-CB 4.18Å; W152-L166 HydrophobicContact CH2-CD1 4.13Å; W152-L166 HydrophobicContact CZ3-CB 4.37Å; W152-L166 HydrophobicContact CZ3-CD1 3.48Å; W152-L166 VanDerWaalsContact CZ3-CD1 3.48Å; L166-C177 HydrophobicContact CB-CB 4.32Å; L166-C177 HydrophobicContact CD2-CB 4.38Å; L166-C177 WeakPolarHBondContact O-CB 3.22Å; L166-C177 PolarHBondContact O-N 2.89Å; L166-Y180 HydrophobicContact CB-CE1 4.29Å; L166-Y180 PolarHBondContact N-OH 2.88Å; L166-C191 HydrophobicContact CB-CB 4.41Å; L166-C191 HydrophobicContact CD1-CB 4.09Å; L166-F193 HydrophobicContact CD2-CE2 3.55Å; L166-F193 HydrophobicContact CD2-CZ 3.88Å; L166-V208 HydrophobicContact CD1-CG1 3.91Å; L166-V208 HydrophobicContact CD2-CG1 4.22Å; L166-V208 HydrophobicContact CG-CG1 3.96Å; L166-H209 WeakPolarHBondContact CA-O 3.28Å; L166-I210 HydrophobicContact CB-CG1 4.11Å; L166-I210 HydrophobicContact CD1-CD1 3.89Å; L166-I210 HydrophobicContact CD1-CG1 3.94Å; L166-I210 HydrophobicContact CG-CD1 4.43Å; L166-I210 HydrophobicContact CG-CG1 3.92Å |
| 167 | Y | 98.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.7 | 172.8 | -53.2 | -99.5 | 0 | 0 | 0 | 109.3 | F165 E175 E176 V208 H209 | F165-Y167 HydrophobicContact CB-CE2 3.89Å; Y167-E175 VanDerWaalsContact CA-O 3.29Å; Y167-E175 WeakPolarHBondContact CA-O 3.46Å; Y167-E176 HydrophobicContact CD1-CB 3.6Å; Y167-E176 HydrophobicContact CD1-CG 3.84Å; Y167-E176 HydrophobicContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CD 3.5Å; Y167-E176 HydrophobicContact CE1-CG 3.4Å; Y167-E176 VanDerWaalsContact CE1-CG 3.4Å; Y167-E176 WeakPolarHBondContact CE1-OE2 3.24Å; Y167-E176 PolarHBondContact OH-OE2 3.22Å; Y167-V208 WeakPolarHBondContact O-CA 3.26Å; Y167-H209 AromaticContact CD2-CD2 3.81Å; Y167-H209 PolarHBondContact N-O 2.86Å; Y167-H209 PolarHBondContact O-N 2.94Å |
| 168 | Y | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151 | 168 | 86.2 | -91.6 | 0 | 0 | 0 | 110.5 | L148 F170 T174 E175 F193 T196 F197 I198 L206 A207 | L148-Y168 HydrophobicContact CD2-CD1 4.18Å; L148-Y168 HydrophobicContact CD2-CG 4.05Å; Y168-F170 HydrophobicContact CD2-CB 4.36Å; Y168-F170 HydrophobicContact CE2-CB 4.13Å; Y168-T174 VanDerWaalsContact O-CA 3.29Å; Y168-T174 WeakPolarHBondContact O-CA 3.36Å; Y168-E175 HydrophobicContact CD1-CB 4.15Å; Y168-E175 HydrophobicContact CE1-CB 3.61Å; Y168-E175 HydrophobicContact CE1-CG 4.14Å; Y168-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y168-E175 VanDerWaalsContact CZ-OE2 3.3Å; Y168-E175 PolarHBondContact N-O 2.75Å; Y168-E175 PolarHBondContact O-N 3.38Å; Y168-E175 PolarHBondContact OH-OE2 3.46Å; Y168-F193 HydrophobicContact CD1-CD1 4.12Å; Y168-F193 HydrophobicContact CD1-CD2 4.17Å; Y168-F193 AromaticContact CD1-CE1 3.72Å; Y168-F193 HydrophobicContact CD1-CE1 3.72Å; Y168-F193 AromaticContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CG 4.33Å; Y168-F193 AromaticContact CD1-CZ 3.52Å; Y168-F193 HydrophobicContact CD1-CZ 3.52Å; Y168-F193 AromaticContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD2 4.45Å; Y168-F193 AromaticContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE2 4.37Å; Y168-F193 HydrophobicContact CE1-CG 4.16Å; Y168-F193 HydrophobicContact CE1-CZ 4.04Å; Y168-T196 HydrophobicContact CE1-CG2 4.1Å; Y168-T196 WeakPolarHBondContact OH-CA 3.44Å; Y168-T196 VanDerWaalsContact OH-CB 3.28Å; Y168-T196 WeakPolarHBondContact OH-CB 3.25Å; Y168-F197 PolarHBondContact OH-N 3.38Å; Y168-I198 HydrophobicContact CD2-CD1 4.49Å; Y168-I198 HydrophobicContact CD2-CG1 4.49Å; Y168-I198 HydrophobicContact CE2-CD1 4.31Å; Y168-I198 HydrophobicContact CE2-CG1 3.98Å; Y168-L206 HydrophobicContact CD2-CD1 3.56Å; Y168-L206 HydrophobicContact CE2-CD1 4.43Å; Y168-L206 HydrophobicContact CG-CD1 4.19Å; Y168-A207 CarbonylContact C-O 3.57Å; Y168-A207 VanDerWaalsContact CA-O 3.23Å; Y168-A207 WeakPolarHBondContact CA-O 3.21Å |
| 169 | R | 96.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.2 | 168.3 | -177.8 | -168.5 | 61.1 | 66.3 | 3.9 | 110.4 | L40 S171 W173 A207 | L40-R169 HydrophobicContact CB-CB 3.97Å; L40-R169 HydrophobicContact CD1-CB 4.15Å; L40-R169 HydrophobicContact CG-CB 4.46Å; L40-R169 PolarHBondContact O-NE 2.93Å; L40-R169 PolarHBondContact O-NH2 3.28Å; R169-S171 PolarHBondContact NH1-O 2.97Å; R169-S171 VanDerWaalsContact NH1-O 3.17Å; R169-W173 CarbonylContact C-O 3.56Å; R169-W173 VanDerWaalsContact CA-O 3.24Å; R169-W173 WeakPolarHBondContact CA-O 3.17Å; R169-W173 WeakPolarHBondContact CG-O 3.46Å; R169-A207 HydrophobicContact CB-CB 4.29Å; R169-A207 PolarHBondContact N-O 2.94Å; R169-A207 PolarHBondContact O-N 2.81Å |
| 170 | F | 94.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 119.5 | 169.5 | -170.1 | -96.6 | 0 | 0 | 0 | 109.1 | Y168 V172 W173 I198 N199 E204 L206 L228 | Y168-F170 HydrophobicContact CD2-CB 4.36Å; Y168-F170 HydrophobicContact CE2-CB 4.13Å; F170-V172 PolarHBondContact O-N 3.23Å; F170-W173 PolarHBondContact N-O 2.99Å; F170-W173 PolarHBondContact O-N 3.33Å; F170-I198 HydrophobicContact CB-CG1 4Å; F170-I198 HydrophobicContact CD2-CG1 4.3Å; F170-I198 HydrophobicContact CD2-CG2 4.21Å; F170-I198 HydrophobicContact CE2-CG2 4.2Å; F170-I198 HydrophobicContact CG-CB 4.36Å; F170-I198 HydrophobicContact CG-CG1 4.04Å; F170-I198 HydrophobicContact CG-CG2 4.44Å; F170-I198 HydrophobicContact CZ-CG2 4.39Å; F170-N199 HydrophobicContact CE1-CB 3.83Å; F170-N199 VanDerWaalsContact CE1-N 3.27Å; F170-N199 HydrophobicContact CZ-CB 4.22Å; F170-E204 HydrophobicContact CE2-CB 3.93Å; F170-E204 HydrophobicContact CZ-CB 4Å; F170-L206 HydrophobicContact CB-CD1 4.28Å; F170-L206 HydrophobicContact CD2-CD1 4.44Å; F170-L228 HydrophobicContact CE2-CD1 3.61Å; F170-L228 HydrophobicContact CE2-CD2 4.28Å; F170-L228 HydrophobicContact CE2-CG 4.15Å; F170-L228 HydrophobicContact CZ-CD1 3.88Å |
| 171 | S | 90.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -123.9 | -170.2 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | R169 E204 | R169-S171 PolarHBondContact NH1-O 2.97Å; R169-S171 VanDerWaalsContact NH1-O 3.17Å; S171-E204 WeakPolarHBondContact CA-OE2 3.46Å; S171-E204 WeakPolarHBondContact CB-OE2 3.25Å; S171-E204 PolarHBondContact N-OE2 3.21Å; S171-E204 PolarHBondContact OG-OE2 3Å |
| 172 | V | 91.6 | Very high | 96.6 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 71% | 0.709 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 114.4 | F170 | F170-V172 PolarHBondContact O-N 3.23Š|
| 173 | W | 94.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 58 Ų | 58 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.9 | -174.6 | -57 | 101.9 | 0 | 0 | 0 | 110.7 | R169 F170 F197 | R169-W173 CarbonylContact C-O 3.56Å; R169-W173 VanDerWaalsContact CA-O 3.24Å; R169-W173 WeakPolarHBondContact CA-O 3.17Å; R169-W173 WeakPolarHBondContact CG-O 3.46Å; F170-W173 PolarHBondContact N-O 2.99Å; F170-W173 PolarHBondContact O-N 3.33Å; W173-F197 HydrophobicContact CB-CB 3.84Å; W173-F197 HydrophobicContact CB-CD2 4.01Å; W173-F197 HydrophobicContact CB-CG 4.04Å; W173-F197 HydrophobicContact CD2-CB 4.45Å; W173-F197 HydrophobicContact CD2-CD1 4.16Å; W173-F197 HydrophobicContact CD2-CD2 4.35Å; W173-F197 HydrophobicContact CD2-CG 4.06Å; W173-F197 HydrophobicContact CE3-CE2 4.45Å; W173-F197 HydrophobicContact CE3-CZ 4.49Å; W173-F197 HydrophobicContact CG-CB 3.7Å; W173-F197 HydrophobicContact CG-CD1 4.28Å; W173-F197 HydrophobicContact CG-CD2 4.13Å; W173-F197 AromaticContact CG-CG 3.78Å; W173-F197 HydrophobicContact CG-CG 3.78Å |
| 174 | T | 96.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.7 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | L40 Y168 | L40-T174 HydrophobicContact CD1-CG2 3.69Å; L40-T174 HydrophobicContact CG-CG2 4.19Å; Y168-T174 VanDerWaalsContact O-CA 3.29Å; Y168-T174 WeakPolarHBondContact O-CA 3.36Å |
| 175 | E | 97.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.7 | 177.8 | -62.4 | -169 | 107.1 | 0 | 0 | 111.6 | Y167 Y168 F193 F197 | Y167-E175 VanDerWaalsContact CA-O 3.29Å; Y167-E175 WeakPolarHBondContact CA-O 3.46Å; Y168-E175 HydrophobicContact CD1-CB 4.15Å; Y168-E175 HydrophobicContact CE1-CB 3.61Å; Y168-E175 HydrophobicContact CE1-CG 4.14Å; Y168-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y168-E175 VanDerWaalsContact CZ-OE2 3.3Å; Y168-E175 PolarHBondContact N-O 2.75Å; Y168-E175 PolarHBondContact O-N 3.38Å; Y168-E175 PolarHBondContact OH-OE2 3.46Å; E175-F193 HydrophobicContact CB-CE1 4.31Å; E175-F197 VanDerWaalsContact CD-CE2 3.46Å; E175-F197 HydrophobicContact CG-CD2 4.15Å; E175-F197 HydrophobicContact CG-CE2 4.14Å; E175-F197 WeakPolarHBondContact OE1-CE2 3.36Å; E175-F197 WeakPolarHBondContact OE2-CD2 3.31Å |
| 176 | E | 97.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 139.8 | 170.5 | -173.4 | 177.3 | 166.5 | 0 | 0 | 110.7 | Y167 Q178 | Y167-E176 HydrophobicContact CD1-CB 3.6Å; Y167-E176 HydrophobicContact CD1-CG 3.84Å; Y167-E176 HydrophobicContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CD 3.5Å; Y167-E176 HydrophobicContact CE1-CG 3.4Å; Y167-E176 VanDerWaalsContact CE1-CG 3.4Å; Y167-E176 WeakPolarHBondContact CE1-OE2 3.24Å; Y167-E176 PolarHBondContact OH-OE2 3.22Å; E176-Q178 PolarHBondContact O-NE2 2.8Å |
| 177 | C | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -67.8 | 138.5 | 176 | -171 | 0 | 0 | 0 | 0 | 112.8 | L166 Y180 C191 F193 | L166-C177 HydrophobicContact CB-CB 4.32Å; L166-C177 HydrophobicContact CD2-CB 4.38Å; L166-C177 WeakPolarHBondContact O-CB 3.22Å; L166-C177 PolarHBondContact O-N 2.89Å; C177-Y180 HydrophobicContact CB-CE1 3.88Å; C177-Y180 HydrophobicContact CB-CE2 4.07Å; C177-Y180 WeakPolarHBondContact CB-OH 3.38Å; C177-Y180 WeakPolarHBondContact O-CE2 3.32Å; C177-Y180 PolarHBondContact O-OH 3.28Å; C177-C191 HydrophobicContact CB-CB 3.92Å; C177-C191 WeakPolarHBondContact CB-SG 3.42Å; C177-C191 WeakPolarHBondContact SG-CB 3.41Å; C177-C191 CovalentContact SG-SG 2Å; C177-C191 PolarHBondContact SG-SG 2.85Å; C177-F193 VanDerWaalsContact CA-CE1 3.47Å; C177-F193 HydrophobicContact CB-CE1 4Å; C177-F193 HydrophobicContact CB-CE2 3.95Å; C177-F193 HydrophobicContact CB-CZ 3.44Å; C177-F193 VanDerWaalsContact CB-CZ 3.44Å | ||
| 178 | Q | 97.4 | Very high | 96.2 | Very high | 149 Ų | 149 | 67 Ų | 67 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | trans | -112.2 | -28.1 | 178.5 | -57.6 | -57.4 | -51.4 | 0 | 0 | 112.6 | E176 | E176-Q178 PolarHBondContact O-NE2 2.8Š| ||
| 179 | E | 97.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 94.9 | -176.2 | -63.8 | -178.3 | -146 | 0 | 0 | 110.8 | W192 | E179-W192 HydrophobicContact CB-CB 4.43Å; E179-W192 PolarHBondContact O-N 3.1Å |
| 180 | Y | 98.3 | Very high | 96.3 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145.5 | 179.7 | -65.6 | -85.9 | 0 | 0 | 0 | 112.7 | W152 F165 L166 C177 N188 A190 C191 | W152-Y180 HydrophobicContact CH2-CD1 4.09Å; W152-Y180 HydrophobicContact CH2-CE1 4.05Å; F165-Y180 WeakPolarHBondContact CA-OH 3.19Å; L166-Y180 HydrophobicContact CB-CE1 4.29Å; L166-Y180 PolarHBondContact N-OH 2.88Å; C177-Y180 HydrophobicContact CB-CE1 3.88Å; C177-Y180 HydrophobicContact CB-CE2 4.07Å; C177-Y180 WeakPolarHBondContact CB-OH 3.38Å; C177-Y180 WeakPolarHBondContact O-CE2 3.32Å; C177-Y180 PolarHBondContact O-OH 3.28Å; Y180-N188 WeakPolarHBondContact CB-OD1 3.37Å; Y180-N188 HydrophobicContact CD1-CB 3.64Å; Y180-N188 HydrophobicContact CE1-CB 4.19Å; Y180-N188 HydrophobicContact CG-CB 4.07Å; Y180-A190 CarbonylContact C-O 3.57Å; Y180-A190 VanDerWaalsContact CA-O 3.25Å; Y180-A190 WeakPolarHBondContact CA-O 3.3Å; Y180-A190 WeakPolarHBondContact CD1-O 3.1Å; Y180-C191 HydrophobicContact CD1-CB 4.13Å; Y180-C191 HydrophobicContact CE1-CB 4.16Å |
| 181 | S | 97.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141.6 | 158.9 | -49.1 | 0 | 0 | 0 | 0 | 109.5 | I189 A190 | S181-I189 WeakPolarHBondContact O-CG1 3.16Å; S181-I189 PolarHBondContact O-N 3.06Å; S181-A190 PolarHBondContact N-O 3.2Å; S181-A190 PolarHBondContact O-N 2.77Å |
| 182 | R | 97.4 | Very high | 96.8 | Very high | 142 Ų | 142 | 70.9 Ų | 70.9 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.4 | -170.6 | -59.4 | -178.1 | -170.1 | 133.8 | 5.3 | 112 | N186 R187 N188 | R182-N186 WeakPolarHBondContact CD-OD1 3.25Å; R182-N186 PolarHBondContact NH1-OD1 3.08Å; R182-R187 CarbonylContact C-O 3.5Å; R182-R187 WeakPolarHBondContact CA-O 3.44Å; R182-N188 WeakPolarHBondContact CG-OD1 3.46Å; R182-N188 PolarHBondContact NE-OD1 2.89Å |
| 183 | D | 95.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | trans | -80.8 | -176.7 | 171.9 | 73.7 | 1.8 | 0 | 0 | 0 | 112.2 | L185 N186 R187 I189 | D183-L185 PolarHBondContact O-N 3.25Å; D183-L185 WeakPolarHBondContact OD1-CA 3.33Å; D183-L185 PolarHBondContact OD1-N 2.91Å; D183-N186 PolarHBondContact O-N 3.06Å; D183-N186 PolarHBondContact OD1-N 3.06Å; D183-N186 VanDerWaalsContact OD1-N 3.1Å; D183-R187 PolarHBondContact N-O 3.3Å; D183-R187 WeakPolarHBondContact OD1-CB 3.42Å; D183-R187 PolarHBondContact OD1-N 2.99Å; D183-R187 IonicContact OD1-NE 3.22Å; D183-R187 IonicContact OD2-CZ 3.61Å; D183-R187 IonicContact OD2-NE 3.94Å; D183-R187 PolarHBondContact OD2-NE 2.84Å; D183-R187 IonicContact OD2-NH2 3.98Å; D183-R187 PolarHBondContact OD2-NH2 2.75Å; D183-I189 HydrophobicContact CB-CD1 4.1Å; D183-I189 HydrophobicContact CB-CG1 4.5Å; D183-I189 HydrophobicContact CB-CG2 3.96Å | ||
| 184 | A | 96 | Very high | 97.1 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 92% | 0.917 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N186 | A184-N186 VanDerWaalsContact C-N 3.32Š|
| 185 | L | 94.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 12.4 | 176.6 | -61.4 | 179.1 | 0 | 0 | 0 | 112 | E160 D183 R187 | E160-L185 HydrophobicContact CG-CD1 4.46Å; D183-L185 PolarHBondContact O-N 3.25Å; D183-L185 WeakPolarHBondContact OD1-CA 3.33Å; D183-L185 PolarHBondContact OD1-N 2.91Å; L185-R187 HydrophobicContact CB-CG 4.23Å; L185-R187 PolarHBondContact O-N 2.92Å |
| 186 | N | 95.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 62.5 | 26.2 | 179.7 | -164.6 | 54.6 | 0 | 0 | 0 | 113.8 | Q163 R182 D183 A184 | Q163-N186 PolarHBondContact NE2-O 2.97Å; Q163-N186 VanDerWaalsContact NE2-O 3.07Å; R182-N186 WeakPolarHBondContact CD-OD1 3.25Å; R182-N186 PolarHBondContact NH1-OD1 3.08Å; D183-N186 PolarHBondContact O-N 3.06Å; D183-N186 PolarHBondContact OD1-N 3.06Å; D183-N186 VanDerWaalsContact OD1-N 3.1Å; A184-N186 VanDerWaalsContact C-N 3.32Å |
| 187 | R | 96.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | trans | -89 | 138.4 | 172.5 | -53.5 | 179.2 | -63.8 | -170.1 | 1.1 | 109.6 | V154 T162 R182 D183 L185 I189 | V154-R187 VanDerWaalsContact CG1-NH1 3.31Å; T162-R187 WeakPolarHBondContact O-CD 3.35Å; T162-R187 VanDerWaalsContact O-CG 3.3Å; T162-R187 WeakPolarHBondContact O-CG 3.49Å; R182-R187 CarbonylContact C-O 3.5Å; R182-R187 WeakPolarHBondContact CA-O 3.44Å; D183-R187 PolarHBondContact N-O 3.3Å; D183-R187 WeakPolarHBondContact OD1-CB 3.42Å; D183-R187 PolarHBondContact OD1-N 2.99Å; D183-R187 IonicContact OD1-NE 3.22Å; D183-R187 IonicContact OD2-CZ 3.61Å; D183-R187 IonicContact OD2-NE 3.94Å; D183-R187 PolarHBondContact OD2-NE 2.84Å; D183-R187 IonicContact OD2-NH2 3.98Å; D183-R187 PolarHBondContact OD2-NH2 2.75Å; L185-R187 HydrophobicContact CB-CG 4.23Å; L185-R187 PolarHBondContact O-N 2.92Å; R187-I189 PolarHBondContact O-N 3.49Å | ||
| 188 | N | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 124.9 | 177 | -66.5 | -21.2 | 0 | 0 | 0 | 109.8 | W152 Q163 Y164 Y180 R182 | W152-N188 VanDerWaalsContact CE2-O 3.32Å; W152-N188 HydrophobicContact CZ2-CB 4.04Å; W152-N188 VanDerWaalsContact CZ2-O 3.28Å; W152-N188 WeakPolarHBondContact CZ2-O 3.4Å; W152-N188 PolarHBondContact NE1-O 3.31Å; Q163-N188 VanDerWaalsContact OE1-CB 3.25Å; Q163-N188 PolarHBondContact OE1-ND2 2.88Å; Y164-N188 WeakPolarHBondContact O-CB 3.46Å; Y164-N188 PolarHBondContact O-ND2 2.99Å; Y180-N188 WeakPolarHBondContact CB-OD1 3.37Å; Y180-N188 HydrophobicContact CD1-CB 3.64Å; Y180-N188 HydrophobicContact CE1-CB 4.19Å; Y180-N188 HydrophobicContact CG-CB 4.07Å; R182-N188 WeakPolarHBondContact CG-OD1 3.46Å; R182-N188 PolarHBondContact NE-OD1 2.89Å |
| 189 | I | 97.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 60.8 Ų | 60.8 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -11.1 | -179.6 | 58.5 | 163.7 | 0 | 0 | 0 | 113.3 | T151 W152 V154 S181 D183 R187 | T151-I189 WeakPolarHBondContact CA-O 3.48Å; W152-I189 PolarHBondContact N-O 3.09Å; V154-I189 HydrophobicContact CG2-CG2 3.84Å; S181-I189 WeakPolarHBondContact O-CG1 3.16Å; S181-I189 PolarHBondContact O-N 3.06Å; D183-I189 HydrophobicContact CB-CD1 4.1Å; D183-I189 HydrophobicContact CB-CG1 4.5Å; D183-I189 HydrophobicContact CB-CG2 3.96Å; R187-I189 PolarHBondContact O-N 3.49Å |
| 190 | A | 98.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C150 T151 Y180 S181 | C150-A190 CarbonylContact O-C 3.59Å; C150-A190 WeakPolarHBondContact O-CA 3.35Å; C150-A190 WeakPolarHBondContact O-CB 2.94Å; T151-A190 HydrophobicContact CG2-CB 3.76Å; Y180-A190 CarbonylContact C-O 3.57Å; Y180-A190 VanDerWaalsContact CA-O 3.25Å; Y180-A190 WeakPolarHBondContact CA-O 3.3Å; Y180-A190 WeakPolarHBondContact CD1-O 3.1Å; S181-A190 PolarHBondContact N-O 3.2Å; S181-A190 PolarHBondContact O-N 2.77Å |
| 191 | C | 98.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143 | 178 | 163.3 | 0 | 0 | 0 | 0 | 110.4 | R149 C150 W152 L166 C177 Y180 F193 | R149-C191 WeakPolarHBondContact CA-O 3.32Å; C150-C191 PolarHBondContact N-O 3.24Å; C150-C191 PolarHBondContact O-N 3.27Å; W152-C191 HydrophobicContact CH2-CB 4.06Å; W152-C191 HydrophobicContact CZ3-CB 3.97Å; L166-C191 HydrophobicContact CB-CB 4.41Å; L166-C191 HydrophobicContact CD1-CB 4.09Å; C177-C191 HydrophobicContact CB-CB 3.92Å; C177-C191 WeakPolarHBondContact CB-SG 3.42Å; C177-C191 WeakPolarHBondContact SG-CB 3.41Å; C177-C191 CovalentContact SG-SG 2Å; C177-C191 PolarHBondContact SG-SG 2.85Å; Y180-C191 HydrophobicContact CD1-CB 4.13Å; Y180-C191 HydrophobicContact CE1-CB 4.16Å; C191-F193 VanDerWaalsContact SG-CD2 3.59Å; C191-F193 WeakPolarHBondContact SG-CE2 3.1Å |
| 192 | W | 98.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 56 Ų | 56 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.1 | 172.5 | 173.9 | -127.1 | 0 | 0 | 0 | 111.5 | S147 L148 R149 E179 P194 | S147-W192 WeakPolarHBondContact OG-CH2 3.43Å; S147-W192 WeakPolarHBondContact OG-CZ3 3.35Å; L148-W192 VanDerWaalsContact O-CE3 3.29Å; R149-W192 HydrophobicContact CB-CE3 4.28Å; R149-W192 HydrophobicContact CG-CD2 4.11Å; R149-W192 HydrophobicContact CG-CE3 3.09Å; R149-W192 HydrophobicContact CG-CH2 4.39Å; R149-W192 HydrophobicContact CG-CZ3 3.28Å; R149-W192 VanDerWaalsContact NE-CE3 3.33Å; E179-W192 HydrophobicContact CB-CB 4.43Å; E179-W192 PolarHBondContact O-N 3.1Å; W192-P194 HydrophobicContact CZ2-CB 4.43Å |
| 193 | F | 97.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.7 | 163.7 | -62.5 | -91.2 | 0 | 0 | 0 | 108.8 | S147 L148 L166 Y168 E175 C177 C191 R195 T196 | S147-F193 VanDerWaalsContact CA-O 3.26Å; S147-F193 WeakPolarHBondContact CA-O 3.36Å; S147-F193 WeakPolarHBondContact CB-O 3.18Å; L148-F193 HydrophobicContact CB-CB 4.19Å; L148-F193 HydrophobicContact CB-CD2 4.11Å; L148-F193 HydrophobicContact CD2-CD2 3.86Å; L148-F193 HydrophobicContact CD2-CE2 4.11Å; L148-F193 HydrophobicContact CG-CD2 4.13Å; L148-F193 PolarHBondContact N-O 2.78Å; L148-F193 PolarHBondContact O-N 3.02Å; L166-F193 HydrophobicContact CD2-CE2 3.55Å; L166-F193 HydrophobicContact CD2-CZ 3.88Å; Y168-F193 HydrophobicContact CD1-CD1 4.12Å; Y168-F193 HydrophobicContact CD1-CD2 4.17Å; Y168-F193 AromaticContact CD1-CE1 3.72Å; Y168-F193 HydrophobicContact CD1-CE1 3.72Å; Y168-F193 AromaticContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CG 4.33Å; Y168-F193 AromaticContact CD1-CZ 3.52Å; Y168-F193 HydrophobicContact CD1-CZ 3.52Å; Y168-F193 AromaticContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD2 4.45Å; Y168-F193 AromaticContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE2 4.37Å; Y168-F193 HydrophobicContact CE1-CG 4.16Å; Y168-F193 HydrophobicContact CE1-CZ 4.04Å; E175-F193 HydrophobicContact CB-CE1 4.31Å; C177-F193 VanDerWaalsContact CA-CE1 3.47Å; C177-F193 HydrophobicContact CB-CE1 4Å; C177-F193 HydrophobicContact CB-CE2 3.95Å; C177-F193 HydrophobicContact CB-CZ 3.44Å; C177-F193 VanDerWaalsContact CB-CZ 3.44Å; C191-F193 VanDerWaalsContact SG-CD2 3.59Å; C191-F193 WeakPolarHBondContact SG-CE2 3.1Å; F193-R195 PolarHBondContact O-N 2.95Å; F193-T196 HydrophobicContact CB-CG2 3.49Å; F193-T196 VanDerWaalsContact CB-CG2 3.49Å; F193-T196 HydrophobicContact CG-CG2 4.18Å |
| 194 | P | 93.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | -29.1 | 177.4 | 24.9 | -33.2 | 0 | 0 | 0 | 111.9 | W192 | W192-P194 HydrophobicContact CZ2-CB 4.43Å |
| 195 | R | 91.4 | Very high | 92.8 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.1 | 179.9 | -59.7 | -176.1 | -71.1 | -156.9 | -0.9 | 109.2 | Q145 F193 | Q145-R195 VanDerWaalsContact OE1-CG 3.27Å; F193-R195 PolarHBondContact O-N 2.95Å |
| 196 | T | 93.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.6 | 180 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | V146 L148 Y168 F193 I198 | V146-T196 WeakPolarHBondContact O-CB 3.25Å; V146-T196 PolarHBondContact O-N 3.13Å; V146-T196 PolarHBondContact O-OG1 3.23Å; L148-T196 HydrophobicContact CB-CG2 3.9Å; Y168-T196 HydrophobicContact CE1-CG2 4.1Å; Y168-T196 WeakPolarHBondContact OH-CA 3.44Å; Y168-T196 VanDerWaalsContact OH-CB 3.28Å; Y168-T196 WeakPolarHBondContact OH-CB 3.25Å; F193-T196 HydrophobicContact CB-CG2 3.49Å; F193-T196 VanDerWaalsContact CB-CG2 3.49Å; F193-T196 HydrophobicContact CG-CG2 4.18Å; T196-I198 HydrophobicContact CG2-CD1 4.14Å; T196-I198 PolarHBondContact O-N 2.98Å; T196-I198 WeakPolarHBondContact OG1-CB 3.01Å; T196-I198 PolarHBondContact OG1-N 2.96Å |
| 197 | F | 92.8 | Very high | 93 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -84.1 | 6.8 | 169.5 | -64 | -78 | 0 | 0 | 0 | 113.3 | Y168 W173 E175 N199 | Y168-F197 PolarHBondContact OH-N 3.38Å; W173-F197 HydrophobicContact CB-CB 3.84Å; W173-F197 HydrophobicContact CB-CD2 4.01Å; W173-F197 HydrophobicContact CB-CG 4.04Å; W173-F197 HydrophobicContact CD2-CB 4.45Å; W173-F197 HydrophobicContact CD2-CD1 4.16Å; W173-F197 HydrophobicContact CD2-CD2 4.35Å; W173-F197 HydrophobicContact CD2-CG 4.06Å; W173-F197 HydrophobicContact CE3-CE2 4.45Å; W173-F197 HydrophobicContact CE3-CZ 4.49Å; W173-F197 HydrophobicContact CG-CB 3.7Å; W173-F197 HydrophobicContact CG-CD1 4.28Å; W173-F197 HydrophobicContact CG-CD2 4.13Å; W173-F197 AromaticContact CG-CG 3.78Å; W173-F197 HydrophobicContact CG-CG 3.78Å; E175-F197 VanDerWaalsContact CD-CE2 3.46Å; E175-F197 HydrophobicContact CG-CD2 4.15Å; E175-F197 HydrophobicContact CG-CE2 4.14Å; E175-F197 WeakPolarHBondContact OE1-CE2 3.36Å; E175-F197 WeakPolarHBondContact OE2-CD2 3.31Å; F197-N199 PolarHBondContact O-N 3.25Å |
| 198 | I | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -66.6 | 127.9 | -178.3 | -60.5 | 168.8 | 0 | 0 | 0 | 110 | T131 V146 L148 Y168 F170 T196 L206 L228 | T131-I198 HydrophobicContact CG2-CD1 4.3Å; V146-I198 HydrophobicContact CB-CB 4.09Å; V146-I198 HydrophobicContact CB-CG2 4.41Å; V146-I198 HydrophobicContact CG1-CB 4.03Å; V146-I198 HydrophobicContact CG1-CD1 4.47Å; V146-I198 HydrophobicContact CG1-CG2 4.06Å; V146-I198 WeakPolarHBondContact CG2-O 3.22Å; L148-I198 HydrophobicContact CB-CD1 4.3Å; L148-I198 HydrophobicContact CD2-CD1 4.26Å; Y168-I198 HydrophobicContact CD2-CD1 4.49Å; Y168-I198 HydrophobicContact CD2-CG1 4.49Å; Y168-I198 HydrophobicContact CE2-CD1 4.31Å; Y168-I198 HydrophobicContact CE2-CG1 3.98Å; F170-I198 HydrophobicContact CB-CG1 4Å; F170-I198 HydrophobicContact CD2-CG1 4.3Å; F170-I198 HydrophobicContact CD2-CG2 4.21Å; F170-I198 HydrophobicContact CE2-CG2 4.2Å; F170-I198 HydrophobicContact CG-CB 4.36Å; F170-I198 HydrophobicContact CG-CG1 4.04Å; F170-I198 HydrophobicContact CG-CG2 4.44Å; F170-I198 HydrophobicContact CZ-CG2 4.39Å; T196-I198 HydrophobicContact CG2-CD1 4.14Å; T196-I198 PolarHBondContact O-N 2.98Å; T196-I198 WeakPolarHBondContact OG1-CB 3.01Å; T196-I198 PolarHBondContact OG1-N 2.96Å; I198-L206 HydrophobicContact CD1-CD1 3.77Å; I198-L206 HydrophobicContact CD1-CD2 4.2Å; I198-L206 HydrophobicContact CG1-CD1 4.15Å; I198-L228 HydrophobicContact CG2-CD1 3.98Å; I198-L228 HydrophobicContact CG2-CD2 3.76Å | ||
| 199 | N | 89.8 | Confident | 93 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | trans | -88.2 | 112.7 | 172.2 | -178 | -4.1 | 0 | 0 | 0 | 109.8 | F170 F197 K201 G202 L228 | F170-N199 HydrophobicContact CE1-CB 3.83Å; F170-N199 VanDerWaalsContact CE1-N 3.27Å; F170-N199 HydrophobicContact CZ-CB 4.22Å; F197-N199 PolarHBondContact O-N 3.25Å; N199-K201 PolarHBondContact O-N 2.91Å; N199-K201 PolarHBondContact OD1-N 2.65Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; N199-G202 PolarHBondContact O-N 3.23Å; N199-L228 VanDerWaalsContact O-CD1 3.31Å; N199-L228 WeakPolarHBondContact O-CD1 3.47Å | ||
| 200 | S | 83.2 | Confident | 93 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.4 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | A259 R312 | S200-A259 WeakPolarHBondContact OG-CB 2.85Å; S200-R312 PolarHBondContact O-NH1 3.1Å |
| 201 | K | 84.8 | Confident | 92.9 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.6 | 177.7 | -63.7 | -176.1 | -178.7 | 175.5 | 0 | 113.3 | N199 A259 F260 | N199-K201 PolarHBondContact O-N 2.91Å; N199-K201 PolarHBondContact OD1-N 2.65Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; K201-A259 HydrophobicContact CD-CB 4.48Å; K201-A259 WeakPolarHBondContact CE-O 3.3Å; K201-A259 HydrophobicContact CG-CB 4.34Å; K201-A259 PolarHBondContact NZ-O 2.85Å; K201-F260 HydrophobicContact CB-CZ 4.45Å; K201-F260 HydrophobicContact CG-CD1 4.49Å; K201-F260 HydrophobicContact CG-CE1 4.12Å; K201-F260 HydrophobicContact CG-CE2 4.32Å; K201-F260 HydrophobicContact CG-CZ 4.01Å |
| 202 | G | 83.3 | Confident | 92.6 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | trans | -66.2 | 151.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | N199 | N199-G202 PolarHBondContact O-N 3.23Š| ||
| 203 | F | 84.3 | Confident | 92.4 | Very high | 171 Ų | 171 | 48.3 Ų | 48.3 | 75% | 0.75 | 24% | 0.241 | S | C | * | . | trans | -98 | -7.2 | 171.9 | -61.4 | -80.8 | 0 | 0 | 0 | 112.4 | ||||
| 204 | E | 89.8 | Confident | 92.2 | Very high | 90 Ų | 90 | 49.1 Ų | 49.1 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.8 | 147.5 | 177.6 | -62.9 | 179.4 | -123.7 | 0 | 0 | 111.3 | F170 S171 | F170-E204 HydrophobicContact CE2-CB 3.93Å; F170-E204 HydrophobicContact CZ-CB 4Å; S171-E204 WeakPolarHBondContact CA-OE2 3.46Å; S171-E204 WeakPolarHBondContact CB-OE2 3.25Å; S171-E204 PolarHBondContact N-OE2 3.21Å; S171-E204 PolarHBondContact OG-OE2 3Å |
| 205 | Q | 93.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 142.2 | 173.5 | -69 | 176.7 | -34.4 | 0 | 0 | 110.5 | F226 | Q205-F226 WeakPolarHBondContact CA-O 3.25Å |
| 206 | L | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.4 | 168.6 | 176.5 | 68.8 | 0 | 0 | 0 | 108.3 | L148 Y168 F170 I198 V208 L225 F226 L228 I231 | L148-L206 HydrophobicContact CD1-CD2 3.78Å; L148-L206 HydrophobicContact CD2-CD2 4.05Å; Y168-L206 HydrophobicContact CD2-CD1 3.56Å; Y168-L206 HydrophobicContact CE2-CD1 4.43Å; Y168-L206 HydrophobicContact CG-CD1 4.19Å; F170-L206 HydrophobicContact CB-CD1 4.28Å; F170-L206 HydrophobicContact CD2-CD1 4.44Å; I198-L206 HydrophobicContact CD1-CD1 3.77Å; I198-L206 HydrophobicContact CD1-CD2 4.2Å; I198-L206 HydrophobicContact CG1-CD1 4.15Å; L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.05Å; L206-L225 WeakPolarHBondContact O-CA 3.23Å; L206-F226 HydrophobicContact CB-CB 4.37Å; L206-F226 PolarHBondContact N-O 2.69Å; L206-F226 PolarHBondContact O-N 2.96Å; L206-L228 HydrophobicContact CB-CD2 4.12Å; L206-I231 HydrophobicContact CD2-CD1 3.75Å |
| 207 | A | 97.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A41 Y168 R169 L225 | A41-A207 HydrophobicContact CB-CB 3.86Å; Y168-A207 CarbonylContact C-O 3.57Å; Y168-A207 VanDerWaalsContact CA-O 3.23Å; Y168-A207 WeakPolarHBondContact CA-O 3.21Å; R169-A207 HydrophobicContact CB-CB 4.29Å; R169-A207 PolarHBondContact N-O 2.94Å; R169-A207 PolarHBondContact O-N 2.81Å; A207-L225 HydrophobicContact CB-CD2 3.71Å |
| 208 | V | 98.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.3 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L127 L166 Y167 L206 I210 D223 Q224 F226 | L127-V208 HydrophobicContact CD2-CB 4.32Å; L127-V208 HydrophobicContact CD2-CG1 3.9Å; L166-V208 HydrophobicContact CD1-CG1 3.91Å; L166-V208 HydrophobicContact CD2-CG1 4.22Å; L166-V208 HydrophobicContact CG-CG1 3.96Å; Y167-V208 WeakPolarHBondContact O-CA 3.26Å; L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.05Å; V208-I210 HydrophobicContact CG1-CG1 4.49Å; V208-D223 WeakPolarHBondContact O-CA 3.43Å; V208-Q224 PolarHBondContact N-O 3.17Å; V208-Q224 PolarHBondContact O-N 3.33Å; V208-F226 HydrophobicContact CB-CD2 4.38Å; V208-F226 HydrophobicContact CB-CE2 4.07Å; V208-F226 HydrophobicContact CG2-CD2 3.9Å; V208-F226 HydrophobicContact CG2-CE2 3.95Å |
| 209 | H | 97.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132 | 178.2 | 175.7 | 74.2 | 0 | 0 | 0 | 109.1 | L40 L166 Y167 L222 D223 | L40-H209 HydrophobicContact CD1-CB 3.96Å; L40-H209 HydrophobicContact CD2-CB 3.68Å; L40-H209 HydrophobicContact CG-CB 4.3Å; L166-H209 WeakPolarHBondContact CA-O 3.28Å; Y167-H209 AromaticContact CD2-CD2 3.81Å; Y167-H209 PolarHBondContact N-O 2.86Å; Y167-H209 PolarHBondContact O-N 2.94Å; H209-L222 CarbonylContact C-O 3.2Å; H209-L222 WeakPolarHBondContact CA-O 3.4Å; H209-D223 WeakPolarHBondContact CB-OD1 3.46Å; H209-D223 IonicContact CE1-OD1 3.28Å; H209-D223 IonicContact CG-OD1 2.7Å; H209-D223 IonicContact ND1-OD1 2.94Å; H209-D223 PolarHBondContact ND1-OD1 3.31Å |
| 210 | I | 97.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.5 | 171.5 | -58.3 | 174.9 | 0 | 0 | 0 | 108 | V124 L127 W152 Y164 F165 L166 V208 P221 L222 | V124-I210 HydrophobicContact CG1-CG2 3.87Å; V124-I210 HydrophobicContact CG2-CB 4.11Å; V124-I210 HydrophobicContact CG2-CD1 4.03Å; V124-I210 HydrophobicContact CG2-CG2 4.13Å; L127-I210 HydrophobicContact CD1-CD1 3.58Å; L127-I210 HydrophobicContact CD2-CD1 3.99Å; L127-I210 HydrophobicContact CG-CD1 4.31Å; W152-I210 HydrophobicContact CB-CD1 4.48Å; W152-I210 HydrophobicContact CD2-CD1 3.78Å; W152-I210 HydrophobicContact CE3-CD1 3.71Å; W152-I210 HydrophobicContact CG-CD1 4.13Å; W152-I210 HydrophobicContact CZ3-CD1 4.25Å; Y164-I210 HydrophobicContact CD1-CG2 4.16Å; F165-I210 WeakPolarHBondContact O-CA 3.25Å; L166-I210 HydrophobicContact CB-CG1 4.11Å; L166-I210 HydrophobicContact CD1-CD1 3.89Å; L166-I210 HydrophobicContact CD1-CG1 3.94Å; L166-I210 HydrophobicContact CG-CD1 4.43Å; L166-I210 HydrophobicContact CG-CG1 3.92Å; V208-I210 HydrophobicContact CG1-CG1 4.49Å; I210-P221 CarbonylContact O-C 3.56Å; I210-P221 VanDerWaalsContact O-CA 3.25Å; I210-P221 WeakPolarHBondContact O-CA 3.36Å; I210-L222 PolarHBondContact N-O 3.21Å; I210-L222 PolarHBondContact O-N 2.91Å |
| 211 | N | 95 | Very high | 92.2 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 173 | 168.8 | 66.3 | 22.8 | 0 | 0 | 0 | 110.1 | Y164 F165 P221 | Y164-N211 WeakPolarHBondContact CA-O 3.3Å; F165-N211 WeakPolarHBondContact CB-OD1 3.48Å; F165-N211 PolarHBondContact N-O 2.91Å; F165-N211 PolarHBondContact O-N 2.88Å; F165-N211 PolarHBondContact O-OD1 2.79Å; N211-P221 HydrophobicContact CB-CB 4.41Å |
| 212 | G | 93.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q163 | Q163-G212 CarbonylContact O-C 3.49Å; Q163-G212 WeakPolarHBondContact O-CA 3.15Å |
| 213 | S | 93.5 | Very high | 93.3 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 44% | 0.441 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.8 | 176.3 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | T162 Q163 | T162-S213 WeakPolarHBondContact CA-O 3.38Å; Q163-S213 PolarHBondContact N-O 2.83Å; Q163-S213 PolarHBondContact O-N 2.88Å |
| 214 | S | 93.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | trans | -139.6 | 153.9 | 170.5 | 162.2 | 0 | 0 | 0 | 0 | 108.6 | P159 D161 T162 H216 | P159-S214 WeakPolarHBondContact CB-OG 3.42Å; D161-S214 VanDerWaalsContact CG-OG 3.32Å; D161-S214 PolarHBondContact OD1-OG 3.34Å; D161-S214 PolarHBondContact OD2-OG 3.05Å; T162-S214 WeakPolarHBondContact OG1-CB 3.44Å; S214-H216 VanDerWaalsContact C-N 3.28Å; S214-H216 PolarHBondContact OG-N 2.85Å | ||
| 215 | K | 91.5 | Very high | 94.2 | Very high | 196 Ų | 196 | 43.8 Ų | 43.8 | 85% | 0.852 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -74 | -22.4 | 173.5 | -62.4 | 176 | -178.3 | 175.7 | 0 | 112.5 | D161 | D161-K215 WeakPolarHBondContact OD2-CB 3.1Å; D161-K215 PolarHBondContact OD2-N 2.84Å |
| 216 | H | 86.9 | Confident | 94.3 | Very high | 149 Ų | 149 | 41 Ų | 41 | 69% | 0.69 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -99.4 | -29.7 | -168.9 | -57.3 | 94.1 | 0 | 0 | 0 | 113.1 | P159 D161 S214 | P159-H216 HydrophobicContact CB-CB 4.38Å; P159-H216 HydrophobicContact CG-CB 4.2Å; D161-H216 VanDerWaalsContact CG-ND1 3.27Å; D161-H216 IonicContact OD1-CE1 2.81Å; D161-H216 IonicContact OD1-CG 3.67Å; D161-H216 IonicContact OD1-ND1 2.69Å; D161-H216 PolarHBondContact OD1-ND1 2.96Å; D161-H216 IonicContact OD2-CE1 3.82Å; D161-H216 IonicContact OD2-ND1 3.73Å; D161-H216 PolarHBondContact OD2-ND1 2.89Å; S214-H216 VanDerWaalsContact C-N 3.28Å; S214-H216 PolarHBondContact OG-N 2.85Å |
| 217 | A | 86.3 | Confident | 94.1 | Very high | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -152.8 | 148.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P159 T219 | P159-A217 HydrophobicContact CG-CB 4.07Å; A217-T219 PolarHBondContact O-N 3.17Å |
| 218 | A | 90.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 49% | 0.488 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -67 | 128.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G118 S119 | G118-A218 WeakPolarHBondContact CA-O 3.09Å; S119-A218 PolarHBondContact N-O 3.21Å |
| 219 | T | 92.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 126.3 | 179 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | T122 T162 Y164 A217 | T122-T219 WeakPolarHBondContact O-CG2 3.49Å; T162-T219 HydrophobicContact CG2-CG2 4.22Å; Y164-T219 HydrophobicContact CE1-CG2 3.82Å; A217-T219 PolarHBondContact O-N 3.17Å |
| 220 | K | 94.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 122 | 177.4 | -174.3 | -178.6 | -179.2 | -173.6 | 0 | 109.4 | H86 T122 S123 | H86-K220 WeakPolarHBondContact O-CE 3.43Å; T122-K220 PolarHBondContact OG1-N 2.98Å; S123-K220 VanDerWaalsContact CA-O 3.24Å; S123-K220 WeakPolarHBondContact CA-O 3.29Å; S123-K220 VanDerWaalsContact CB-O 3.26Å; S123-K220 WeakPolarHBondContact CB-O 3.37Å; S123-K220 PolarHBondContact OG-O 3.18Å |
| 221 | P | 95.7 | Very high | 93 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 165.5 | 178.2 | 29.2 | -34.7 | 0 | 0 | 0 | 111.4 | H86 P116 S123 I210 N211 | H86-P221 WeakPolarHBondContact CB-O 3.18Å; P116-P221 HydrophobicContact CB-CG 3.57Å; P116-P221 HydrophobicContact CG-CG 3.8Å; S123-P221 PolarHBondContact OG-O 3.49Å; I210-P221 CarbonylContact O-C 3.56Å; I210-P221 VanDerWaalsContact O-CA 3.25Å; I210-P221 WeakPolarHBondContact O-CA 3.36Å; N211-P221 HydrophobicContact CB-CB 4.41Å |
| 222 | L | 95.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.7 | 170.4 | -178.8 | 68.9 | 0 | 0 | 0 | 109.4 | V124 L127 H209 I210 | V124-L222 HydrophobicContact CG2-CB 3.7Å; V124-L222 HydrophobicContact CG2-CD2 3.52Å; V124-L222 HydrophobicContact CG2-CG 4.25Å; L127-L222 HydrophobicContact CB-CD2 3.85Å; L127-L222 HydrophobicContact CD2-CD2 4.07Å; H209-L222 CarbonylContact C-O 3.2Å; H209-L222 WeakPolarHBondContact CA-O 3.4Å; I210-L222 PolarHBondContact N-O 3.21Å; I210-L222 PolarHBondContact O-N 2.91Å |
| 223 | D | 94.6 | Very high | 93 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.7 | 170.2 | -73.1 | -37.5 | 0 | 0 | 0 | 109.7 | P84 L85 H86 V208 H209 | P84-D223 HydrophobicContact CB-CB 4.04Å; L85-D223 WeakPolarHBondContact CA-OD2 3.2Å; L85-D223 WeakPolarHBondContact CB-OD2 3.46Å; L85-D223 PolarHBondContact N-OD2 3.32Å; H86-D223 HydrophobicContact CB-CB 4.24Å; H86-D223 PolarHBondContact CE1-O 2.73Å; H86-D223 PolarHBondContact N-OD2 3.07Å; H86-D223 PolarHBondContact ND1-N 2.89Å; H86-D223 PolarHBondContact ND1-O 3.38Å; V208-D223 WeakPolarHBondContact O-CA 3.43Å; H209-D223 WeakPolarHBondContact CB-OD1 3.46Å; H209-D223 IonicContact CE1-OD1 3.28Å; H209-D223 IonicContact CG-OD1 2.7Å; H209-D223 IonicContact ND1-OD1 2.94Å; H209-D223 PolarHBondContact ND1-OD1 3.31Å |
| 224 | Q | 96.2 | Very high | 93 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.9 | 174.2 | -168.2 | 169.5 | -9.4 | 0 | 0 | 111.4 | L127 V208 F226 | L127-Q224 HydrophobicContact CD2-CB 4.11Å; V208-Q224 PolarHBondContact N-O 3.17Å; V208-Q224 PolarHBondContact O-N 3.33Å; Q224-F226 HydrophobicContact CB-CE2 3.79Å; Q224-F226 HydrophobicContact CB-CZ 4.13Å; Q224-F226 HydrophobicContact CG-CD2 4.32Å; Q224-F226 HydrophobicContact CG-CE1 4.26Å; Q224-F226 HydrophobicContact CG-CE2 3.73Å; Q224-F226 HydrophobicContact CG-CZ 3.7Å |
| 225 | L | 96.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.4 | 173.2 | -65.3 | 173.8 | 0 | 0 | 0 | 109.3 | A41 V82 P84 L206 A207 | A41-L225 HydrophobicContact CB-CD2 3.77Å; A41-L225 HydrophobicContact CB-CG 4.42Å; V82-L225 HydrophobicContact CG1-CD1 3.91Å; V82-L225 HydrophobicContact CG1-CD2 3.72Å; P84-L225 HydrophobicContact CG-CD1 4.32Å; P84-L225 HydrophobicContact CG-CG 4.36Å; L206-L225 WeakPolarHBondContact O-CA 3.23Å; A207-L225 HydrophobicContact CB-CD2 3.71Å |
| 226 | F | 95.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.1 | 176.3 | -64.5 | -87.2 | 0 | 0 | 0 | 110.4 | L127 C129 Q205 L206 V208 Q224 I231 | L127-F226 HydrophobicContact CD2-CE2 4.19Å; L127-F226 HydrophobicContact CD2-CZ 4.29Å; L127-F226 HydrophobicContact CG-CE2 4.44Å; L127-F226 HydrophobicContact CG-CZ 4.13Å; C129-F226 HydrophobicContact CB-CE1 4.48Å; C129-F226 HydrophobicContact CB-CE2 4.29Å; C129-F226 HydrophobicContact CB-CZ 4.25Å; Q205-F226 WeakPolarHBondContact CA-O 3.25Å; L206-F226 HydrophobicContact CB-CB 4.37Å; L206-F226 PolarHBondContact N-O 2.69Å; L206-F226 PolarHBondContact O-N 2.96Å; V208-F226 HydrophobicContact CB-CD2 4.38Å; V208-F226 HydrophobicContact CB-CE2 4.07Å; V208-F226 HydrophobicContact CG2-CD2 3.9Å; V208-F226 HydrophobicContact CG2-CE2 3.95Å; Q224-F226 HydrophobicContact CB-CE2 3.79Å; Q224-F226 HydrophobicContact CB-CZ 4.13Å; Q224-F226 HydrophobicContact CG-CD2 4.32Å; Q224-F226 HydrophobicContact CG-CE1 4.26Å; Q224-F226 HydrophobicContact CG-CE2 3.73Å; Q224-F226 HydrophobicContact CG-CZ 3.7Å; F226-I231 HydrophobicContact CB-CD1 3.79Å; F226-I231 HydrophobicContact CB-CG1 4.45Å; F226-I231 HydrophobicContact CB-CG2 4.12Å; F226-I231 HydrophobicContact CD1-CG2 3.61Å; F226-I231 HydrophobicContact CE1-CG2 4.42Å; F226-I231 HydrophobicContact CG-CD1 4.37Å; F226-I231 HydrophobicContact CG-CG2 4.19Å |
| 227 | T | 93.6 | Very high | 93.9 | Very high | 40 Ų | 40 | 33 Ų | 33 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.6 | 169.3 | -38 | 0 | 0 | 0 | 0 | 109.7 | Y229 A230 | T227-Y229 VanDerWaalsContact C-N 3.32Å; T227-Y229 HydrophobicContact CG2-CD1 3.61Å; T227-Y229 HydrophobicContact CG2-CE1 3.07Å; T227-Y229 PolarHBondContact O-N 3.24Å; T227-Y229 VanDerWaalsContact O-N 3.17Å; T227-A230 WeakPolarHBondContact O-CB 3.49Å; T227-A230 PolarHBondContact O-N 3.48Å |
| 228 | L | 92.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.4 | -41.3 | -169.1 | -68.7 | -177.1 | 0 | 0 | 0 | 114 | F170 I198 N199 L206 A230 I231 D232 | F170-L228 HydrophobicContact CE2-CD1 3.61Å; F170-L228 HydrophobicContact CE2-CD2 4.28Å; F170-L228 HydrophobicContact CE2-CG 4.15Å; F170-L228 HydrophobicContact CZ-CD1 3.88Å; I198-L228 HydrophobicContact CG2-CD1 3.98Å; I198-L228 HydrophobicContact CG2-CD2 3.76Å; N199-L228 VanDerWaalsContact O-CD1 3.31Å; N199-L228 WeakPolarHBondContact O-CD1 3.47Å; L206-L228 HydrophobicContact CB-CD2 4.12Å; L228-A230 PolarHBondContact O-N 2.77Å; L228-I231 HydrophobicContact CD2-CD1 4.49Å; L228-I231 PolarHBondContact O-N 3.3Å; L228-D232 WeakPolarHBondContact O-CB 3.39Å; L228-D232 PolarHBondContact O-N 3.13Å |
| 229 | Y | 90.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 39 Ų | 39 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -21 | -179.4 | 63.2 | -100.7 | 0 | 0 | 0 | 114 | T227 R312 M313 G315 | T227-Y229 VanDerWaalsContact C-N 3.32Å; T227-Y229 HydrophobicContact CG2-CD1 3.61Å; T227-Y229 HydrophobicContact CG2-CE1 3.07Å; T227-Y229 PolarHBondContact O-N 3.24Å; T227-Y229 VanDerWaalsContact O-N 3.17Å; Y229-R312 HydrophobicContact CD1-CG 4.48Å; Y229-M313 HydrophobicContact CD1-CB 4.16Å; Y229-M313 HydrophobicContact CD1-CE 4.42Å; Y229-M313 HydrophobicContact CD2-CB 4.35Å; Y229-M313 HydrophobicContact CE1-CB 4.07Å; Y229-M313 HydrophobicContact CE1-CE 3.4Å; Y229-M313 VanDerWaalsContact CE1-CE 3.4Å; Y229-M313 HydrophobicContact CE2-CB 4.32Å; Y229-M313 HydrophobicContact CG-CB 4.31Å; Y229-M313 WeakPolarHBondContact OH-CE 3.45Å; Y229-G315 VanDerWaalsContact O-CA 3.29Å; Y229-G315 WeakPolarHBondContact O-CA 3.07Å |
| 230 | A | 91.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 49% | 0.488 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -80.7 | -27.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | T227 L228 | T227-A230 WeakPolarHBondContact O-CB 3.49Å; T227-A230 PolarHBondContact O-N 3.48Å; L228-A230 PolarHBondContact O-N 2.77Å |
| 231 | I | 93.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -108.7 | -6.3 | -177.2 | 63.6 | 166.3 | 0 | 0 | 0 | 113.8 | C129 T130 T131 L206 F226 L228 Q233 | C129-I231 WeakPolarHBondContact O-CB 3.29Å; C129-I231 VanDerWaalsContact O-CG2 3.31Å; C129-I231 WeakPolarHBondContact O-CG2 3.48Å; T130-I231 CarbonylContact C-O 3.29Å; T130-I231 WeakPolarHBondContact CA-O 3.34Å; T131-I231 HydrophobicContact CG2-CD1 3.81Å; T131-I231 HydrophobicContact CG2-CG1 4.27Å; T131-I231 PolarHBondContact N-O 3.25Å; L206-I231 HydrophobicContact CD2-CD1 3.75Å; F226-I231 HydrophobicContact CB-CD1 3.79Å; F226-I231 HydrophobicContact CB-CG1 4.45Å; F226-I231 HydrophobicContact CB-CG2 4.12Å; F226-I231 HydrophobicContact CD1-CG2 3.61Å; F226-I231 HydrophobicContact CE1-CG2 4.42Å; F226-I231 HydrophobicContact CG-CD1 4.37Å; F226-I231 HydrophobicContact CG-CG2 4.19Å; L228-I231 HydrophobicContact CD2-CD1 4.49Å; L228-I231 PolarHBondContact O-N 3.3Å; I231-Q233 PolarHBondContact O-N 3.11Å |
| 232 | D | 93.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 106.3 | 179.4 | -174.5 | 26.8 | 0 | 0 | 0 | 111.9 | T131 L228 V234 R312 | T131-D232 VanDerWaalsContact OG1-CA 3.3Å; T131-D232 WeakPolarHBondContact OG1-CA 3.32Å; L228-D232 WeakPolarHBondContact O-CB 3.39Å; L228-D232 PolarHBondContact O-N 3.13Å; D232-V234 PolarHBondContact O-N 3.23Å; D232-R312 IonicContact OD2-CZ 2.91Å; D232-R312 VanDerWaalsContact OD2-CZ 3.28Å; D232-R312 IonicContact OD2-NH1 3.24Å; D232-R312 PolarHBondContact OD2-NH1 3.04Å; D232-R312 IonicContact OD2-NH2 2.75Å; D232-R312 PolarHBondContact OD2-NH2 2.82Å |
| 233 | Q | 94.5 | Very high | 94.5 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | -82.3 | 94.3 | 173.9 | -168 | 175.1 | 25.5 | 0 | 0 | 109.3 | T131 N132 I231 N235 | T131-Q233 PolarHBondContact O-N 3.4Å; N132-Q233 PolarHBondContact ND2-O 2.76Å; I231-Q233 PolarHBondContact O-N 3.11Å; Q233-N235 PolarHBondContact O-N 3.13Å | ||
| 234 | V | 94.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 129.4 | 179.2 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | D232 P256 F265 A305 V307 G318 | D232-V234 PolarHBondContact O-N 3.23Å; V234-P256 HydrophobicContact CG1-CG 4.46Å; V234-F265 HydrophobicContact CG1-CE1 4.02Å; V234-A305 HydrophobicContact CG1-CB 4.18Å; V234-V307 HydrophobicContact CG2-CG2 4.1Å; V234-G318 WeakPolarHBondContact O-CA 3.06Å |
| 235 | N | 95.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 148.6 | 175.8 | -73.3 | -53.6 | 0 | 0 | 0 | 112 | N132 T133 Q233 P256 L257 | N132-N235 PolarHBondContact ND2-OD1 3.24Å; N132-N235 PolarHBondContact OD1-OD1 2.84Å; T133-N235 PolarHBondContact O-ND2 3.18Å; Q233-N235 PolarHBondContact O-N 3.13Å; N235-P256 HydrophobicContact CB-CB 4.33Å; N235-P256 WeakPolarHBondContact O-CB 3.46Å; N235-L257 HydrophobicContact CB-CB 4.35Å; N235-L257 PolarHBondContact ND2-O 2.91Å |
| 236 | P | 97 | Very high | 93.5 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 153.8 | 170.9 | 25.9 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 237 | P | 97.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.3 | 171.6 | -26.6 | 36 | 0 | 0 | 0 | 112.4 | W253 Y267 V303 A305 | P237-W253 HydrophobicContact CB-CB 4.08Å; P237-W253 HydrophobicContact CB-CG 4.11Å; P237-Y267 HydrophobicContact CG-CD1 3.92Å; P237-Y267 HydrophobicContact CG-CE1 4.04Å; P237-V303 WeakPolarHBondContact CD-O 3.45Å; P237-V303 HydrophobicContact CG-CB 4.04Å; P237-V303 HydrophobicContact CG-CG1 3.83Å; P237-A305 HydrophobicContact CG-CB 4.12Å |
| 238 | M | 93.9 | Very high | 93 | Very high | 85 Ų | 85 | 54 Ų | 54 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 157.3 | 179.5 | -63.1 | 179.7 | 64.8 | 0 | 0 | 110.6 | V240 G254 L257 | M238-V240 PolarHBondContact O-N 3.04Å; M238-G254 PolarHBondContact N-O 3.33Å; M238-G254 WeakPolarHBondContact O-CA 3.15Å; M238-G254 PolarHBondContact O-N 3.41Å; M238-L257 HydrophobicContact SD-CB 4.08Å |
| 239 | N | 94.6 | Very high | 93 | Very high | 129 Ų | 129 | 53.8 Ų | 53.8 | 69% | 0.69 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 51.6 | 169.6 | -56.8 | -14.9 | 0 | 0 | 0 | 113.6 | T241 | N239-T241 PolarHBondContact O-N 2.65Å |
| 240 | V | 96.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 121.1 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 107.3 | M238 Q252 W253 V303 I324 | M238-V240 PolarHBondContact O-N 3.04Å; V240-Q252 CarbonylContact C-O 3.58Å; V240-Q252 WeakPolarHBondContact CA-O 3.43Å; V240-W253 HydrophobicContact CB-CB 4.47Å; V240-W253 HydrophobicContact CG2-CB 4Å; V240-V303 HydrophobicContact CG1-CG2 4Å; V240-V303 HydrophobicContact CG2-CG2 4.25Å; V240-I324 HydrophobicContact CB-CD1 3.68Å; V240-I324 HydrophobicContact CG1-CD1 3.77Å; V240-I324 WeakPolarHBondContact O-CD1 3.44Å |
| 241 | T | 95.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.6 | 175.8 | 65 | 0 | 0 | 0 | 0 | 110.1 | N239 Q252 | N239-T241 PolarHBondContact O-N 2.65Å; T241-Q252 PolarHBondContact N-O 2.94Å; T241-Q252 PolarHBondContact O-N 3.17Å; T241-Q252 WeakPolarHBondContact OG1-CG 2.99Å; T241-Q252 PolarHBondContact OG1-NE2 2.98Å |
| 242 | V | 94.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 122.1 | -174.3 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | L249 Y250 I251 I301 I324 V326 | V242-L249 HydrophobicContact CG1-CD2 3.66Å; V242-Y250 WeakPolarHBondContact CA-O 3.3Å; V242-I251 HydrophobicContact CG1-CG1 4.21Å; V242-I251 HydrophobicContact CG2-CG1 4.38Å; V242-I251 HydrophobicContact CG2-CG2 4.28Å; V242-I301 HydrophobicContact CG1-CD1 4.24Å; V242-I301 HydrophobicContact CG2-CB 4.27Å; V242-I301 HydrophobicContact CG2-CD1 4.34Å; V242-I301 HydrophobicContact CG2-CG1 4.31Å; V242-I301 HydrophobicContact CG2-CG2 4.31Å; V242-I324 HydrophobicContact CG2-CG2 4.21Å; V242-V326 HydrophobicContact CB-CG1 3.95Å; V242-V326 HydrophobicContact CG1-CB 4.46Å; V242-V326 HydrophobicContact CG1-CG1 3.9Å; V242-V326 HydrophobicContact CG1-CG2 3.9Å |
| 243 | E | 92.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 54.4 Ų | 54.4 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.5 | 176 | -69.6 | 168.9 | -159.7 | 0 | 0 | 109.4 | L249 Y250 | E243-L249 WeakPolarHBondContact O-CA 3.22Å; E243-Y250 PolarHBondContact N-O 2.83Å; E243-Y250 PolarHBondContact O-N 3.31Å |
| 244 | I | 89.9 | Confident | 94 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.7 | 175.2 | -63.8 | 168.1 | 0 | 0 | 0 | 107.7 | S248 L249 I293 V326 | I244-S248 WeakPolarHBondContact CA-O 3.39Å; I244-L249 HydrophobicContact CD1-CD2 4.21Å; I244-L249 HydrophobicContact CG1-CD2 3.61Å; I244-I293 HydrophobicContact CD1-CD1 4.33Å; I244-I293 HydrophobicContact CG1-CD1 4.31Å; I244-I293 HydrophobicContact CG2-CD1 4.19Å; I244-V326 HydrophobicContact CD1-CB 3.98Å; I244-V326 HydrophobicContact CD1-CG2 4.14Å |
| 245 | E | 89.6 | Confident | 94 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.8 | 173.4 | -177.8 | -179.3 | -160.8 | 0 | 0 | 108.7 | N247 S248 Y250 | E245-N247 PolarHBondContact O-N 3.28Å; E245-S248 PolarHBondContact N-O 2.9Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 3.45Å; E245-Y250 HydrophobicContact CB-CD2 4.18Å; E245-Y250 HydrophobicContact CB-CE2 3.74Å |
| 246 | N | 86.9 | Confident | 94 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 57.5 | 177 | -60 | -29.3 | 0 | 0 | 0 | 113.6 | S248 | N246-S248 PolarHBondContact O-N 3.28Å; N246-S248 VanDerWaalsContact O-N 3.1Å; N246-S248 PolarHBondContact O-OG 3.07Å |
| 247 | N | 87.5 | Confident | 93.8 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 25.5 | -178.9 | -67.7 | 62 | 0 | 0 | 0 | 114.7 | E245 I293 D295 | E245-N247 PolarHBondContact O-N 3.28Å; N247-I293 WeakPolarHBondContact O-CG1 3.39Å; N247-I293 PolarHBondContact O-N 3.24Å; N247-D295 PolarHBondContact ND2-OD1 2.89Å; N247-D295 PolarHBondContact ND2-OD2 2.82Å; N247-D295 PolarHBondContact OD1-OD1 2.64Å; N247-D295 PolarHBondContact OD1-OD2 2.84Å |
| 248 | S | 91.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.5 | -178 | -45.6 | 0 | 0 | 0 | 0 | 109.4 | I244 E245 N246 S291 K292 | I244-S248 WeakPolarHBondContact CA-O 3.39Å; E245-S248 PolarHBondContact N-O 2.9Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 3.45Å; N246-S248 PolarHBondContact O-N 3.28Å; N246-S248 VanDerWaalsContact O-N 3.1Å; N246-S248 PolarHBondContact O-OG 3.07Å; S248-S291 CarbonylContact C-O 3.52Å; S248-S291 WeakPolarHBondContact CA-O 3.32Å; S248-K292 WeakPolarHBondContact OG-CD 3.22Å; S248-K292 PolarHBondContact OG-NZ 3Å |
| 249 | L | 92.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119 | 170.2 | -71.6 | 173.7 | 0 | 0 | 0 | 109.1 | V242 E243 I244 I251 I271 I290 S291 I293 Y299 V326 | V242-L249 HydrophobicContact CG1-CD2 3.66Å; E243-L249 WeakPolarHBondContact O-CA 3.22Å; I244-L249 HydrophobicContact CD1-CD2 4.21Å; I244-L249 HydrophobicContact CG1-CD2 3.61Å; L249-I251 HydrophobicContact CB-CD1 4.28Å; L249-I251 HydrophobicContact CB-CG1 4.11Å; L249-I271 HydrophobicContact CD1-CG2 4.17Å; L249-I290 VanDerWaalsContact O-CA 3.27Å; L249-I290 WeakPolarHBondContact O-CA 3.48Å; L249-S291 PolarHBondContact N-O 3.01Å; L249-S291 PolarHBondContact O-N 3.47Å; L249-I293 HydrophobicContact CB-CG2 4.45Å; L249-I293 HydrophobicContact CD1-CG2 3.31Å; L249-I293 HydrophobicContact CD2-CD1 4.03Å; L249-I293 HydrophobicContact CG-CB 4.46Å; L249-I293 HydrophobicContact CG-CD1 3.94Å; L249-I293 HydrophobicContact CG-CG1 4.23Å; L249-I293 HydrophobicContact CG-CG2 3.48Å; L249-I293 VanDerWaalsContact CG-CG2 3.48Å; L249-Y299 HydrophobicContact CD1-CD1 4.47Å; L249-Y299 HydrophobicContact CD1-CG 4.29Å; L249-V326 HydrophobicContact CD2-CG2 3.6Å |
| 250 | Y | 95.3 | Very high | 93.3 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 103.9 | 170.2 | -65.9 | -99 | 0 | 0 | 0 | 107.9 | V242 E243 E245 I290 | V242-Y250 WeakPolarHBondContact CA-O 3.3Å; E243-Y250 PolarHBondContact N-O 2.83Å; E243-Y250 PolarHBondContact O-N 3.31Å; E245-Y250 HydrophobicContact CB-CD2 4.18Å; E245-Y250 HydrophobicContact CB-CE2 3.74Å; Y250-I290 HydrophobicContact CD1-CD1 3.84Å; Y250-I290 HydrophobicContact CD1-CG1 3.82Å; Y250-I290 HydrophobicContact CE1-CD1 3.63Å; Y250-I290 HydrophobicContact CE1-CG1 4.06Å; Y250-I290 HydrophobicContact CE1-CG2 4.41Å |
| 251 | I | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126 | -175 | -52.2 | 169.2 | 0 | 0 | 0 | 107.7 | V242 L249 W253 L269 I271 K288 F289 I301 | V242-I251 HydrophobicContact CG1-CG1 4.21Å; V242-I251 HydrophobicContact CG2-CG1 4.38Å; V242-I251 HydrophobicContact CG2-CG2 4.28Å; L249-I251 HydrophobicContact CB-CD1 4.28Å; L249-I251 HydrophobicContact CB-CG1 4.11Å; I251-W253 HydrophobicContact CB-CZ3 4.33Å; I251-W253 HydrophobicContact CG2-CE3 3.86Å; I251-W253 HydrophobicContact CG2-CZ3 3.71Å; I251-L269 HydrophobicContact CD1-CD1 4.25Å; I251-L269 HydrophobicContact CD1-CD2 4.11Å; I251-L269 HydrophobicContact CG2-CD1 4.2Å; I251-I271 HydrophobicContact CD1-CD1 3.61Å; I251-I271 HydrophobicContact CD1-CG1 3.95Å; I251-K288 CarbonylContact O-C 3.51Å; I251-K288 VanDerWaalsContact O-CA 3.29Å; I251-K288 WeakPolarHBondContact O-CA 2.98Å; I251-F289 PolarHBondContact N-O 3.33Å; I251-F289 PolarHBondContact O-N 2.02Å; I251-I301 HydrophobicContact CD1-CG1 4.18Å; I251-I301 HydrophobicContact CD1-CG2 4.12Å; I251-I301 HydrophobicContact CG2-CG2 3.98Å |
| 252 | Q | 97.2 | Very high | 93 | Very high | 70 Ų | 70 | 46.4 Ų | 46.4 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 152.4 | 175.5 | 63.2 | -177.1 | -27.1 | 0 | 0 | 110.7 | V240 T241 N287 K288 | V240-Q252 CarbonylContact C-O 3.58Å; V240-Q252 WeakPolarHBondContact CA-O 3.43Å; T241-Q252 PolarHBondContact N-O 2.94Å; T241-Q252 PolarHBondContact O-N 3.17Å; T241-Q252 WeakPolarHBondContact OG1-CG 2.99Å; T241-Q252 PolarHBondContact OG1-NE2 2.98Å; Q252-N287 WeakPolarHBondContact CA-O 3.49Å; Q252-K288 HydrophobicContact CB-CG 4.01Å |
| 253 | W | 97.6 | Very high | 93 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.3 | 176.3 | 54.3 | 90.5 | 0 | 0 | 0 | 111.6 | P237 V240 I251 Y267 L269 L284 T286 N287 F289 V303 | P237-W253 HydrophobicContact CB-CB 4.08Å; P237-W253 HydrophobicContact CB-CG 4.11Å; V240-W253 HydrophobicContact CB-CB 4.47Å; V240-W253 HydrophobicContact CG2-CB 4Å; I251-W253 HydrophobicContact CB-CZ3 4.33Å; I251-W253 HydrophobicContact CG2-CE3 3.86Å; I251-W253 HydrophobicContact CG2-CZ3 3.71Å; W253-Y267 AromaticContact CD1-CD1 3.89Å; W253-Y267 AromaticContact CD1-CE1 3.72Å; W253-Y267 AromaticContact CE2-CG 3.95Å; W253-Y267 HydrophobicContact CZ2-CD2 4.26Å; W253-Y267 HydrophobicContact CZ2-CG 4.06Å; W253-Y267 AromaticContact NE1-CD1 3.22Å; W253-Y267 AromaticContact NE1-CD2 3.57Å; W253-Y267 AromaticContact NE1-CE1 3.38Å; W253-Y267 AromaticContact NE1-CE2 3.74Å; W253-Y267 AromaticContact NE1-CG 3.32Å; W253-Y267 VanDerWaalsContact NE1-CG 3.32Å; W253-Y267 AromaticContact NE1-CZ 3.65Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; W253-L284 HydrophobicContact CH2-CD1 3.59Å; W253-L284 HydrophobicContact CZ2-CD1 4.09Å; W253-T286 VanDerWaalsContact CZ2-O 3.29Å; W253-T286 WeakPolarHBondContact CZ2-O 3.43Å; W253-N287 PolarHBondContact N-O 3.06Å; W253-N287 WeakPolarHBondContact O-CB 3.39Å; W253-N287 PolarHBondContact O-ND2 2.85Å; W253-F289 HydrophobicContact CH2-CB 4.21Å; W253-F289 HydrophobicContact CZ3-CB 4.35Å; W253-V303 HydrophobicContact CD2-CG1 3.95Å; W253-V303 HydrophobicContact CD2-CG2 4.19Å; W253-V303 HydrophobicContact CE3-CG1 4.35Å; W253-V303 HydrophobicContact CE3-CG2 3.92Å; W253-V303 HydrophobicContact CG-CG1 4.32Å; W253-V303 HydrophobicContact CZ2-CG1 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.36Å |
| 254 | G | 96.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 47 Ų | 47 | 25% | 0.247 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 160.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M238 | M238-G254 PolarHBondContact N-O 3.33Å; M238-G254 WeakPolarHBondContact O-CA 3.15Å; M238-G254 PolarHBondContact O-N 3.41Å |
| 255 | K | 94.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 140.9 | 172.8 | -169 | -173.2 | 85.7 | 71.7 | 0 | 109.9 | S258 F260 V262 F265 | K255-S258 PolarHBondContact NZ-O 3Å; K255-F260 WeakPolarHBondContact CD-O 3.38Å; K255-F260 WeakPolarHBondContact CE-O 3.05Å; K255-F260 PolarHBondContact NZ-O 2.87Å; K255-V262 HydrophobicContact CB-CG2 4.4Å; K255-V262 HydrophobicContact CD-CB 4.4Å; K255-V262 HydrophobicContact CD-CG2 3.87Å; K255-V262 HydrophobicContact CG-CG2 4.47Å; K255-F265 HydrophobicContact CD-CD2 4.11Å; K255-F265 HydrophobicContact CD-CE2 3.82Å; K255-F265 HydrophobicContact CG-CD2 3.76Å; K255-F265 HydrophobicContact CG-CE2 3.73Å |
| 256 | P | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 152.9 | 171.6 | 28.5 | -38.1 | 0 | 0 | 0 | 111.8 | V234 N235 S258 F265 A305 | V234-P256 HydrophobicContact CG1-CG 4.46Å; N235-P256 HydrophobicContact CB-CB 4.33Å; N235-P256 WeakPolarHBondContact O-CB 3.46Å; P256-S258 PolarHBondContact O-N 2.92Å; P256-F265 HydrophobicContact CG-CD1 3.51Å; P256-F265 HydrophobicContact CG-CD2 4.29Å; P256-F265 HydrophobicContact CG-CE1 3.33Å; P256-F265 HydrophobicContact CG-CE2 4.14Å; P256-F265 HydrophobicContact CG-CG 3.99Å; P256-F265 HydrophobicContact CG-CZ 3.67Å; P256-A305 HydrophobicContact CB-CB 4.44Å; P256-A305 HydrophobicContact CG-CB 3.9Å |
| 257 | L | 93.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 35 Ų | 35 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -62.3 | 107.2 | 174.7 | -173.5 | 74.4 | 0 | 0 | 0 | 109.5 | K135 Y144 N235 M238 | K135-L257 HydrophobicContact CB-CD1 4.33Å; K135-L257 HydrophobicContact CB-CD2 4.28Å; Y144-L257 HydrophobicContact CD1-CD1 4.24Å; Y144-L257 HydrophobicContact CD1-CG 4.5Å; Y144-L257 HydrophobicContact CE1-CD1 3.85Å; Y144-L257 HydrophobicContact CE1-CG 4.42Å; N235-L257 HydrophobicContact CB-CB 4.35Å; N235-L257 PolarHBondContact ND2-O 2.91Å; M238-L257 HydrophobicContact SD-CB 4.08Å |
| 258 | S | 92.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -170.5 | 153.3 | -173 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | Y144 K255 P256 F260 | Y144-S258 WeakPolarHBondContact CE1-O 3.27Å; Y144-S258 PolarHBondContact OH-O 2Å; K255-S258 PolarHBondContact NZ-O 3Å; P256-S258 PolarHBondContact O-N 2.92Å; S258-F260 VanDerWaalsContact C-N 3.28Å; S258-F260 PolarHBondContact O-N 2.05Å; S258-F260 WeakPolarHBondContact OG-CD2 3.43Å; S258-F260 PolarHBondContact OG-N 2.84Å |
| 259 | A | 91.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 34 Ų | 34 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -71.3 | -19.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y144 S200 K201 | Y144-A259 HydrophobicContact CD2-CB 3.74Å; Y144-A259 HydrophobicContact CE2-CB 4.34Å; Y144-A259 HydrophobicContact CG-CB 4.24Å; S200-A259 WeakPolarHBondContact OG-CB 2.85Å; K201-A259 HydrophobicContact CD-CB 4.48Å; K201-A259 WeakPolarHBondContact CE-O 3.3Å; K201-A259 HydrophobicContact CG-CB 4.34Å; K201-A259 PolarHBondContact NZ-O 2.85Å |
| 260 | F | 92.2 | Very high | 95.1 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -67.4 | 142.9 | 179.6 | -73.7 | -81.9 | 0 | 0 | 0 | 112 | K201 K255 S258 C264 F265 V307 C311 R312 | K201-F260 HydrophobicContact CB-CZ 4.45Å; K201-F260 HydrophobicContact CG-CD1 4.49Å; K201-F260 HydrophobicContact CG-CE1 4.12Å; K201-F260 HydrophobicContact CG-CE2 4.32Å; K201-F260 HydrophobicContact CG-CZ 4.01Å; K255-F260 WeakPolarHBondContact CD-O 3.38Å; K255-F260 WeakPolarHBondContact CE-O 3.05Å; K255-F260 PolarHBondContact NZ-O 2.87Å; S258-F260 VanDerWaalsContact C-N 3.28Å; S258-F260 PolarHBondContact O-N 2.05Å; S258-F260 WeakPolarHBondContact OG-CD2 3.43Å; S258-F260 PolarHBondContact OG-N 2.84Å; F260-C264 HydrophobicContact CB-CB 3.94Å; F260-C264 HydrophobicContact CD1-CB 4.2Å; F260-C264 HydrophobicContact CG-CB 4.43Å; F260-F265 HydrophobicContact CB-CE2 3.7Å; F260-F265 HydrophobicContact CB-CZ 3.75Å; F260-V307 HydrophobicContact CD1-CG1 4.43Å; F260-V307 HydrophobicContact CD2-CG2 4.16Å; F260-V307 HydrophobicContact CE1-CG1 4.4Å; F260-V307 HydrophobicContact CE2-CG2 4.36Å; F260-C311 HydrophobicContact CD1-CB 4.18Å; F260-C311 HydrophobicContact CE1-CB 4.3Å; F260-R312 HydrophobicContact CE1-CB 4.47Å; F260-R312 HydrophobicContact CZ-CB 4.39Å |
| 261 | P | 92.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 33.2 Ų | 33.2 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | trans | -70 | 169 | 176.2 | 30.8 | -36.2 | 0 | 0 | 0 | 112.3 | H263 C264 F265 | P261-H263 VanDerWaalsContact C-N 3.35Å; P261-H263 WeakPolarHBondContact CG-CE1 3.35Å; P261-H263 PolarHBondContact O-N 3.01Å; P261-C264 VanDerWaalsContact CD-SG 3.55Å; P261-C264 HydrophobicContact CG-CB 4.42Å; P261-C264 WeakPolarHBondContact CG-SG 3.48Å; P261-C264 WeakPolarHBondContact O-CB 3.43Å; P261-C264 PolarHBondContact O-N 3.34Å; P261-C264 VanDerWaalsContact O-N 3.13Å; P261-F265 WeakPolarHBondContact O-CD2 3.33Å; P261-F265 WeakPolarHBondContact O-CE2 3.48Å | ||
| 262 | V | 93.5 | Very high | 95.1 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 53% | 0.527 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -57.5 | -43 | -173.7 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | K255 C264 F265 | K255-V262 HydrophobicContact CB-CG2 4.4Å; K255-V262 HydrophobicContact CD-CB 4.4Å; K255-V262 HydrophobicContact CD-CG2 3.87Å; K255-V262 HydrophobicContact CG-CG2 4.47Å; V262-C264 PolarHBondContact O-N 3.2Å; V262-C264 VanDerWaalsContact O-N 3.11Å; V262-F265 PolarHBondContact O-N 2.98Å |
| 263 | H | 92.7 | Very high | 94.8 | Very high | 148 Ų | 148 | 34 Ų | 34 | 69% | 0.685 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -68.2 | -8.9 | -177.9 | 64.3 | -100 | 0 | 0 | 0 | 114 | P261 F265 | P261-H263 VanDerWaalsContact C-N 3.35Å; P261-H263 WeakPolarHBondContact CG-CE1 3.35Å; P261-H263 PolarHBondContact O-N 3.01Å; H263-F265 VanDerWaalsContact C-N 3.3Å |
| 264 | C | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -85.9 | 2.6 | 177.9 | -70.6 | 0 | 0 | 0 | 0 | 114 | F260 P261 V262 V307 S308 C311 | F260-C264 HydrophobicContact CB-CB 3.94Å; F260-C264 HydrophobicContact CD1-CB 4.2Å; F260-C264 HydrophobicContact CG-CB 4.43Å; P261-C264 VanDerWaalsContact CD-SG 3.55Å; P261-C264 HydrophobicContact CG-CB 4.42Å; P261-C264 WeakPolarHBondContact CG-SG 3.48Å; P261-C264 WeakPolarHBondContact O-CB 3.43Å; P261-C264 PolarHBondContact O-N 3.34Å; P261-C264 VanDerWaalsContact O-N 3.13Å; V262-C264 PolarHBondContact O-N 3.2Å; V262-C264 VanDerWaalsContact O-N 3.11Å; C264-V307 CarbonylContact O-C 3.56Å; C264-V307 WeakPolarHBondContact O-CA 3.36Å; C264-S308 WeakPolarHBondContact O-CB 3.2Å; C264-S308 PolarHBondContact O-N 2.73Å; C264-C311 WeakPolarHBondContact CA-SG 3.49Å; C264-C311 HydrophobicContact CB-CB 3.59Å; C264-C311 WeakPolarHBondContact CB-SG 3.47Å; C264-C311 WeakPolarHBondContact SG-CB 2.92Å; C264-C311 CovalentContact SG-SG 2.02Å; C264-C311 PolarHBondContact SG-SG 3.17Å |
| 265 | F | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.7 | -177 | -69 | -80.5 | 0 | 0 | 0 | 111.9 | V234 K255 P256 F260 P261 V262 H263 Y267 A305 A306 V307 | V234-F265 HydrophobicContact CG1-CE1 4.02Å; K255-F265 HydrophobicContact CD-CD2 4.11Å; K255-F265 HydrophobicContact CD-CE2 3.82Å; K255-F265 HydrophobicContact CG-CD2 3.76Å; K255-F265 HydrophobicContact CG-CE2 3.73Å; P256-F265 HydrophobicContact CG-CD1 3.51Å; P256-F265 HydrophobicContact CG-CD2 4.29Å; P256-F265 HydrophobicContact CG-CE1 3.33Å; P256-F265 HydrophobicContact CG-CE2 4.14Å; P256-F265 HydrophobicContact CG-CG 3.99Å; P256-F265 HydrophobicContact CG-CZ 3.67Å; F260-F265 HydrophobicContact CB-CE2 3.7Å; F260-F265 HydrophobicContact CB-CZ 3.75Å; P261-F265 WeakPolarHBondContact O-CD2 3.33Å; P261-F265 WeakPolarHBondContact O-CE2 3.48Å; V262-F265 PolarHBondContact O-N 2.98Å; H263-F265 VanDerWaalsContact C-N 3.3Å; F265-Y267 HydrophobicContact CB-CE1 4.14Å; F265-Y267 HydrophobicContact CB-CE2 3.97Å; F265-Y267 WeakPolarHBondContact CB-OH 3.42Å; F265-A305 HydrophobicContact CD1-CB 4.17Å; F265-A306 WeakPolarHBondContact CA-O 3.38Å; F265-V307 HydrophobicContact CE1-CG2 4.02Å |
| 266 | K | 95.8 | Very high | 93.5 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.1 | 161.3 | 61.2 | -174.7 | 176.5 | -173.1 | 0 | 108.5 | L284 A305 A306 W317 | K266-L284 CarbonylContact C-O 3.59Å; K266-L284 WeakPolarHBondContact CA-O 3.23Å; K266-A305 WeakPolarHBondContact O-CA 3.4Å; K266-A306 HydrophobicContact CG-CB 4.11Å; K266-A306 PolarHBondContact N-O 3.26Å; K266-A306 PolarHBondContact O-N 3.38Å; K266-W317 HydrophobicContact CD-CH2 4.48Å; K266-W317 HydrophobicContact CG-CH2 4.1Å |
| 267 | Y | 97.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.3 | -172.9 | -56.9 | -79.8 | 0 | 0 | 0 | 110.4 | P237 W253 F265 N283 L284 T286 V303 R304 A305 | P237-Y267 HydrophobicContact CG-CD1 3.92Å; P237-Y267 HydrophobicContact CG-CE1 4.04Å; W253-Y267 AromaticContact CD1-CD1 3.89Å; W253-Y267 AromaticContact CD1-CE1 3.72Å; W253-Y267 AromaticContact CE2-CG 3.95Å; W253-Y267 HydrophobicContact CZ2-CD2 4.26Å; W253-Y267 HydrophobicContact CZ2-CG 4.06Å; W253-Y267 AromaticContact NE1-CD1 3.22Å; W253-Y267 AromaticContact NE1-CD2 3.57Å; W253-Y267 AromaticContact NE1-CE1 3.38Å; W253-Y267 AromaticContact NE1-CE2 3.74Å; W253-Y267 AromaticContact NE1-CG 3.32Å; W253-Y267 VanDerWaalsContact NE1-CG 3.32Å; W253-Y267 AromaticContact NE1-CZ 3.65Å; F265-Y267 HydrophobicContact CB-CE1 4.14Å; F265-Y267 HydrophobicContact CB-CE2 3.97Å; F265-Y267 WeakPolarHBondContact CB-OH 3.42Å; Y267-N283 WeakPolarHBondContact O-CA 3.39Å; Y267-L284 PolarHBondContact N-O 3.22Å; Y267-L284 PolarHBondContact O-N 2.7Å; Y267-T286 WeakPolarHBondContact CD2-O 3.29Å; Y267-V303 HydrophobicContact CD1-CG1 4.36Å; Y267-R304 CarbonylContact C-O 3.59Å; Y267-R304 VanDerWaalsContact CA-O 3.29Å; Y267-R304 WeakPolarHBondContact CA-O 3.35Å; Y267-A305 HydrophobicContact CD1-CB 3.86Å; Y267-A305 HydrophobicContact CE1-CB 3.87Å |
| 268 | K | 97.8 | Very high | 93 | Very high | 41 Ų | 41 | 51 Ų | 51 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.6 | 165.5 | -167.4 | 174.5 | -72.9 | 176.7 | 0 | 107.8 | E282 N283 V303 R304 W317 W320 | K268-E282 CarbonylContact C-O 3.57Å; K268-E282 VanDerWaalsContact CA-O 3.29Å; K268-E282 WeakPolarHBondContact CA-O 3.26Å; K268-N283 WeakPolarHBondContact CE-OD1 3.48Å; K268-V303 WeakPolarHBondContact O-CA 3.2Å; K268-R304 HydrophobicContact CB-CG 3.95Å; K268-R304 PolarHBondContact N-O 2.99Å; K268-R304 PolarHBondContact O-N 3.17Å; K268-W317 HydrophobicContact CB-CE3 4.22Å; K268-W317 HydrophobicContact CB-CH2 3.77Å; K268-W317 HydrophobicContact CB-CZ2 4.45Å; K268-W317 HydrophobicContact CB-CZ3 3.65Å; K268-W320 HydrophobicContact CB-CH2 4.29Å; K268-W320 HydrophobicContact CD-CH2 4.14Å; K268-W320 HydrophobicContact CD-CZ2 4.41Å; K268-W320 HydrophobicContact CG-CH2 3.93Å; K268-W320 VanDerWaalsContact O-CZ3 3.27Å; K268-W320 WeakPolarHBondContact O-CZ3 3.49Å |
| 269 | L | 97.9 | Very high | 93 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.4 | 179.3 | 171 | 67.5 | 0 | 0 | 0 | 108.6 | I251 W253 I271 M281 E282 L284 F289 I301 V303 | I251-L269 HydrophobicContact CD1-CD1 4.25Å; I251-L269 HydrophobicContact CD1-CD2 4.11Å; I251-L269 HydrophobicContact CG2-CD1 4.2Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; L269-I271 HydrophobicContact CD1-CG1 4.31Å; L269-I271 HydrophobicContact CD2-CD1 4.12Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 4.12Å; L269-M281 CarbonylContact O-C 3.54Å; L269-M281 VanDerWaalsContact O-CA 3.29Å; L269-M281 WeakPolarHBondContact O-CA 3.41Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.3Å; L269-E282 PolarHBondContact O-N 2.9Å; L269-L284 HydrophobicContact CB-CD1 4.06Å; L269-L284 HydrophobicContact CD2-CD1 4.08Å; L269-F289 HydrophobicContact CD2-CB 3.7Å; L269-F289 HydrophobicContact CD2-CD1 3.35Å; L269-F289 HydrophobicContact CD2-CE1 4.09Å; L269-F289 HydrophobicContact CD2-CG 3.62Å; L269-I301 HydrophobicContact CD1-CG2 3.75Å; L269-V303 HydrophobicContact CD1-CG2 3.76Å |
| 270 | K | 97.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 27% | 0.265 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.3 | 173.1 | -179.8 | -176.6 | 177.6 | -171.7 | 0 | 108.7 | Q280 M281 I301 Q302 W320 | K270-Q280 WeakPolarHBondContact CA-O 3.27Å; K270-M281 HydrophobicContact CB-CG 4.47Å; K270-M281 HydrophobicContact CG-CG 4.42Å; K270-I301 WeakPolarHBondContact O-CA 2.86Å; K270-Q302 PolarHBondContact N-O 2.9Å; K270-Q302 PolarHBondContact O-N 2.92Å; K270-W320 HydrophobicContact CB-CE3 4.4Å; K270-W320 HydrophobicContact CB-CH2 3.65Å; K270-W320 HydrophobicContact CB-CZ2 4.48Å; K270-W320 HydrophobicContact CB-CZ3 3.61Å |
| 271 | I | 95.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114 | 172.9 | -54.8 | 171.9 | 0 | 0 | 0 | 107 | L249 I251 L269 S279 Q280 F289 Y299 I301 | L249-I271 HydrophobicContact CD1-CG2 4.17Å; I251-I271 HydrophobicContact CD1-CD1 3.61Å; I251-I271 HydrophobicContact CD1-CG1 3.95Å; L269-I271 HydrophobicContact CD1-CG1 4.31Å; L269-I271 HydrophobicContact CD2-CD1 4.12Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 4.12Å; I271-S279 WeakPolarHBondContact O-CA 3.21Å; I271-Q280 HydrophobicContact CB-CB 4.33Å; I271-Q280 PolarHBondContact N-O 2.7Å; I271-Q280 PolarHBondContact O-N 3.43Å; I271-F289 HydrophobicContact CD1-CD1 4.27Å; I271-F289 HydrophobicContact CD1-CE1 4.15Å; I271-Y299 HydrophobicContact CG2-CD1 3.8Å; I271-I301 HydrophobicContact CG1-CG1 4.48Å |
| 272 | Y | 94.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.4 | -178.1 | 176.3 | -104.4 | 0 | 0 | 0 | 110.6 | T274 G277 Y299 S300 | Y272-T274 HydrophobicContact CD1-CG2 3.96Å; Y272-T274 HydrophobicContact CE1-CG2 3.98Å; Y272-G277 WeakPolarHBondContact CE2-O 3.49Å; Y272-Y299 CarbonylContact O-C 3.49Å; Y272-Y299 VanDerWaalsContact O-CA 3.27Å; Y272-Y299 WeakPolarHBondContact O-CA 3.06Å; Y272-S300 PolarHBondContact N-O 3.02Å; Y272-S300 PolarHBondContact O-N 2.99Å |
| 273 | N | 91.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.2 | 172.9 | -178.5 | -33.9 | 0 | 0 | 0 | 109.3 | K275 N276 G277 Y278 S297 Y299 | N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 PolarHBondContact O-N 2.87Å; N273-K275 WeakPolarHBondContact OD1-CA 3.36Å; N273-K275 VanDerWaalsContact OD1-CB 3.31Å; N273-K275 WeakPolarHBondContact OD1-CB 3.46Å; N273-K275 PolarHBondContact OD1-N 3.02Å; N273-N276 WeakPolarHBondContact CB-OD1 3.32Å; N273-N276 PolarHBondContact ND2-OD1 3.42Å; N273-N276 PolarHBondContact OD1-N 3.3Å; N273-N276 PolarHBondContact OD1-OD1 2.79Å; N273-G277 VanDerWaalsContact O-CA 3.27Å; N273-G277 WeakPolarHBondContact O-CA 3.16Å; N273-G277 PolarHBondContact O-N 2.94Å; N273-Y278 PolarHBondContact N-O 3.01Å; N273-S297 WeakPolarHBondContact ND2-CB 3.24Å; N273-S297 PolarHBondContact ND2-OG 2.99Å; N273-S297 VanDerWaalsContact ND2-OG 3.08Å; N273-S297 VanDerWaalsContact OD1-CB 3.3Å; N273-S297 WeakPolarHBondContact OD1-CB 3.41Å; N273-S297 PolarHBondContact OD1-OG 2.73Å; N273-Y299 HydrophobicContact CB-CD1 4.01Å; N273-Y299 HydrophobicContact CB-CE1 3.75Å; N273-Y299 PolarHBondContact ND2-OH 2.99Å |
| 274 | T | 88.9 | Confident | 93.8 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.5 | -176 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | Y272 T298 | Y272-T274 HydrophobicContact CD1-CG2 3.96Å; Y272-T274 HydrophobicContact CE1-CG2 3.98Å; T274-T298 WeakPolarHBondContact CB-O 3.49Å; T274-T298 PolarHBondContact N-O 2.82Å; T274-T298 WeakPolarHBondContact OG1-CB 3.28Å; T274-T298 PolarHBondContact OG1-O 2.86Å |
| 275 | K | 85.7 | Confident | 93.7 | Very high | 127 Ų | 127 | 59.6 Ų | 59.6 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -47 | -176.9 | -177.7 | -171.6 | 174.7 | -171.3 | 0 | 112.3 | N273 S297 | N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 PolarHBondContact O-N 2.87Å; N273-K275 WeakPolarHBondContact OD1-CA 3.36Å; N273-K275 VanDerWaalsContact OD1-CB 3.31Å; N273-K275 WeakPolarHBondContact OD1-CB 3.46Å; N273-K275 PolarHBondContact OD1-N 3.02Å; K275-S297 WeakPolarHBondContact CD-OG 3.47Å |
| 276 | N | 86.4 | Confident | 93.6 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -2.8 | -176.9 | 66.3 | 3.3 | 0 | 0 | 0 | 113.3 | N273 Y278 | N273-N276 WeakPolarHBondContact CB-OD1 3.32Å; N273-N276 PolarHBondContact ND2-OD1 3.42Å; N273-N276 PolarHBondContact OD1-N 3.3Å; N273-N276 PolarHBondContact OD1-OD1 2.79Å; N276-Y278 PolarHBondContact O-N 2.83Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 3.27Å |
| 277 | G | 87.9 | Confident | 93.5 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 38% | 0.381 | 33% | 0.328 | S | S | . | . | trans | 74.2 | 6.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y272 N273 S279 | Y272-G277 WeakPolarHBondContact CE2-O 3.49Å; N273-G277 VanDerWaalsContact O-CA 3.27Å; N273-G277 WeakPolarHBondContact O-CA 3.16Å; N273-G277 PolarHBondContact O-N 2.94Å; G277-S279 PolarHBondContact O-N 3.19Å | ||
| 278 | Y | 90.6 | Very high | 93.5 | Very high | 146 Ų | 146 | 69.4 Ų | 69.4 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | trans | -67.6 | 130.5 | -179.8 | -179.7 | -103.3 | 0 | 0 | 0 | 110.9 | N273 N276 Q280 | N273-Y278 PolarHBondContact N-O 3.01Å; N276-Y278 PolarHBondContact O-N 2.83Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 3.27Å; Y278-Q280 HydrophobicContact CE1-CB 4.01Å | ||
| 279 | S | 93.3 | Very high | 93.4 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.9 | 179 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | I271 G277 | I271-S279 WeakPolarHBondContact O-CA 3.21Å; G277-S279 PolarHBondContact O-N 3.19Å |
| 280 | Q | 93.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.4 | 169.9 | -175.4 | -178.6 | -3.4 | 0 | 0 | 109.6 | K270 I271 Y278 E282 S291 | K270-Q280 WeakPolarHBondContact CA-O 3.27Å; I271-Q280 HydrophobicContact CB-CB 4.33Å; I271-Q280 PolarHBondContact N-O 2.7Å; I271-Q280 PolarHBondContact O-N 3.43Å; Y278-Q280 HydrophobicContact CE1-CB 4.01Å; Q280-E282 HydrophobicContact CG-CG 4.25Å; Q280-E282 PolarHBondContact NE2-OE1 2.72Å; Q280-S291 PolarHBondContact OE1-OG 3.38Å; Q280-S291 VanDerWaalsContact OE1-OG 3.08Å |
| 281 | M | 96.6 | Very high | 93 | Very high | 117 Ų | 117 | 71.7 Ų | 71.7 | 58% | 0.576 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.7 | 174.7 | -79.5 | -170.3 | -87.1 | 0 | 0 | 110.5 | L269 K270 | L269-M281 CarbonylContact O-C 3.54Å; L269-M281 VanDerWaalsContact O-CA 3.29Å; L269-M281 WeakPolarHBondContact O-CA 3.41Å; K270-M281 HydrophobicContact CB-CG 4.47Å; K270-M281 HydrophobicContact CG-CG 4.42Å |
| 282 | E | 96.9 | Very high | 92.8 | Very high | 60 Ų | 60 | 79.1 Ų | 79.1 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.3 | -176.9 | -62.2 | -64.3 | 162.2 | 0 | 0 | 110.8 | K268 L269 Q280 L284 F289 | K268-E282 CarbonylContact C-O 3.57Å; K268-E282 VanDerWaalsContact CA-O 3.29Å; K268-E282 WeakPolarHBondContact CA-O 3.26Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.3Å; L269-E282 PolarHBondContact O-N 2.9Å; Q280-E282 HydrophobicContact CG-CG 4.25Å; Q280-E282 PolarHBondContact NE2-OE1 2.72Å; E282-L284 HydrophobicContact CB-CD1 4.28Å; E282-L284 HydrophobicContact CB-CD2 4.32Å; E282-L284 HydrophobicContact CB-CG 4.13Å; E282-F289 HydrophobicContact CG-CE1 4.07Å; E282-F289 HydrophobicContact CG-CE2 4.03Å; E282-F289 HydrophobicContact CG-CZ 3.63Å |
| 283 | N | 96.4 | Very high | 92.4 | Very high | 114 Ų | 114 | 76 Ų | 76 | 61% | 0.61 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.1 | 170.6 | -64.1 | -64.8 | 0 | 0 | 0 | 108.9 | Y267 K268 | Y267-N283 WeakPolarHBondContact O-CA 3.39Å; K268-N283 WeakPolarHBondContact CE-OD1 3.48Å |
| 284 | L | 95.1 | Very high | 91.8 | Very high | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.5 | -168.4 | -58.4 | 170.2 | 0 | 0 | 0 | 110.9 | W253 K266 Y267 L269 E282 F289 | W253-L284 HydrophobicContact CH2-CD1 3.59Å; W253-L284 HydrophobicContact CZ2-CD1 4.09Å; K266-L284 CarbonylContact C-O 3.59Å; K266-L284 WeakPolarHBondContact CA-O 3.23Å; Y267-L284 PolarHBondContact N-O 3.22Å; Y267-L284 PolarHBondContact O-N 2.7Å; L269-L284 HydrophobicContact CB-CD1 4.06Å; L269-L284 HydrophobicContact CD2-CD1 4.08Å; E282-L284 HydrophobicContact CB-CD1 4.28Å; E282-L284 HydrophobicContact CB-CD2 4.32Å; E282-L284 HydrophobicContact CB-CG 4.13Å; L284-F289 HydrophobicContact CD1-CB 3.87Å; L284-F289 HydrophobicContact CD1-CD2 3.83Å; L284-F289 HydrophobicContact CD1-CG 4.02Å; L284-F289 HydrophobicContact CD2-CD2 3.81Å; L284-F289 HydrophobicContact CD2-CE2 4.18Å; L284-F289 HydrophobicContact CG-CD2 4.48Å |
| 285 | V | 93.2 | Very high | 90.9 | Very high | 116 Ų | 116 | 79.3 Ų | 79.3 | 70% | 0.703 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -107.1 | -17 | 168.5 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 286 | T | 93.3 | Very high | 90.4 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -85.7 | 163.4 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | W253 Y267 K288 | W253-T286 VanDerWaalsContact CZ2-O 3.29Å; W253-T286 WeakPolarHBondContact CZ2-O 3.43Å; Y267-T286 WeakPolarHBondContact CD2-O 3.29Å; T286-K288 PolarHBondContact OG1-O 3.38Å |
| 287 | N | 94 | Very high | 90.2 | Very high | 66 Ų | 66 | 72.2 Ų | 72.2 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -101.6 | 16.8 | 179.1 | 68.4 | -45.1 | 0 | 0 | 0 | 113.5 | Q252 W253 | Q252-N287 WeakPolarHBondContact CA-O 3.49Å; W253-N287 PolarHBondContact N-O 3.06Å; W253-N287 WeakPolarHBondContact O-CB 3.39Å; W253-N287 PolarHBondContact O-ND2 2.85Å |
| 288 | K | 95.4 | Very high | 90.3 | Very high | 127 Ų | 127 | 72.2 Ų | 72.2 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.5 | -178.5 | -61.9 | -171.9 | 178.4 | -172.9 | 0 | 110 | I251 Q252 T286 | I251-K288 CarbonylContact O-C 3.51Å; I251-K288 VanDerWaalsContact O-CA 3.29Å; I251-K288 WeakPolarHBondContact O-CA 2.98Å; Q252-K288 HydrophobicContact CB-CG 4.01Å; T286-K288 PolarHBondContact OG1-O 3.38Å |
| 289 | F | 96.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 66 Ų | 66 | 17% | 0.171 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 142.6 | 176.2 | -171.1 | -104.9 | 0 | 0 | 0 | 110.8 | I251 W253 L269 I271 E282 L284 | I251-F289 PolarHBondContact N-O 3.33Å; I251-F289 PolarHBondContact O-N 2.02Å; W253-F289 HydrophobicContact CH2-CB 4.21Å; W253-F289 HydrophobicContact CZ3-CB 4.35Å; L269-F289 HydrophobicContact CD2-CB 3.7Å; L269-F289 HydrophobicContact CD2-CD1 3.35Å; L269-F289 HydrophobicContact CD2-CE1 4.09Å; L269-F289 HydrophobicContact CD2-CG 3.62Å; I271-F289 HydrophobicContact CD1-CD1 4.27Å; I271-F289 HydrophobicContact CD1-CE1 4.15Å; E282-F289 HydrophobicContact CG-CE1 4.07Å; E282-F289 HydrophobicContact CG-CE2 4.03Å; E282-F289 HydrophobicContact CG-CZ 3.63Å; L284-F289 HydrophobicContact CD1-CB 3.87Å; L284-F289 HydrophobicContact CD1-CD2 3.83Å; L284-F289 HydrophobicContact CD1-CG 4.02Å; L284-F289 HydrophobicContact CD2-CD2 3.81Å; L284-F289 HydrophobicContact CD2-CE2 4.18Å; L284-F289 HydrophobicContact CG-CD2 4.48Å |
| 290 | I | 94.9 | Very high | 90.4 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.6 | 175.9 | -57.6 | 172 | 0 | 0 | 0 | 108.2 | L249 Y250 | L249-I290 VanDerWaalsContact O-CA 3.27Å; L249-I290 WeakPolarHBondContact O-CA 3.48Å; Y250-I290 HydrophobicContact CD1-CD1 3.84Å; Y250-I290 HydrophobicContact CD1-CG1 3.82Å; Y250-I290 HydrophobicContact CE1-CD1 3.63Å; Y250-I290 HydrophobicContact CE1-CG1 4.06Å; Y250-I290 HydrophobicContact CE1-CG2 4.41Å |
| 291 | S | 92.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.6 | 175.4 | -161.3 | 0 | 0 | 0 | 0 | 111.3 | S248 L249 Q280 | S248-S291 CarbonylContact C-O 3.52Å; S248-S291 WeakPolarHBondContact CA-O 3.32Å; L249-S291 PolarHBondContact N-O 3.01Å; L249-S291 PolarHBondContact O-N 3.47Å; Q280-S291 PolarHBondContact OE1-OG 3.38Å; Q280-S291 VanDerWaalsContact OE1-OG 3.08Å |
| 292 | K | 90.4 | Very high | 90.6 | Very high | 160 Ų | 160 | 58.6 Ų | 58.6 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 137.2 | 172.5 | -70.4 | -65.6 | -174.7 | -175.2 | 0 | 110 | S248 | S248-K292 WeakPolarHBondContact OG-CD 3.22Å; S248-K292 PolarHBondContact OG-NZ 3Å |
| 293 | I | 85.8 | Confident | 90.6 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | trans | -128.5 | 160.8 | -178.8 | 57.5 | 160.6 | 0 | 0 | 0 | 113.1 | I244 N247 L249 Y299 | I244-I293 HydrophobicContact CD1-CD1 4.33Å; I244-I293 HydrophobicContact CG1-CD1 4.31Å; I244-I293 HydrophobicContact CG2-CD1 4.19Å; N247-I293 WeakPolarHBondContact O-CG1 3.39Å; N247-I293 PolarHBondContact O-N 3.24Å; L249-I293 HydrophobicContact CB-CG2 4.45Å; L249-I293 HydrophobicContact CD1-CG2 3.31Å; L249-I293 HydrophobicContact CD2-CD1 4.03Å; L249-I293 HydrophobicContact CG-CB 4.46Å; L249-I293 HydrophobicContact CG-CD1 3.94Å; L249-I293 HydrophobicContact CG-CG1 4.23Å; L249-I293 HydrophobicContact CG-CG2 3.48Å; L249-I293 VanDerWaalsContact CG-CG2 3.48Å; I293-Y299 HydrophobicContact CB-CE1 4.36Å; I293-Y299 HydrophobicContact CB-CE2 3.76Å; I293-Y299 HydrophobicContact CD1-CD2 4.41Å; I293-Y299 HydrophobicContact CD1-CE2 4.07Å; I293-Y299 HydrophobicContact CG2-CD1 4.3Å; I293-Y299 HydrophobicContact CG2-CD2 4.31Å; I293-Y299 HydrophobicContact CG2-CE1 3.78Å; I293-Y299 HydrophobicContact CG2-CE2 3.84Å | ||
| 294 | D | 80.6 | Confident | 90.7 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | trans | -78.3 | 149.7 | 163.9 | 70.8 | 7.2 | 0 | 0 | 0 | 111.4 | V296 S297 Y299 | D294-V296 PolarHBondContact O-N 2.98Å; D294-S297 WeakPolarHBondContact OD1-CB 3.31Å; D294-S297 PolarHBondContact OD1-N 3.31Å; D294-S297 VanDerWaalsContact OD1-N 3.16Å; D294-S297 PolarHBondContact OD1-OG 3.47Å; D294-S297 PolarHBondContact OD2-OG 3.05Å; D294-Y299 PolarHBondContact N-OH 2.7Å; D294-Y299 VanDerWaalsContact N-OH 3.11Å; D294-Y299 PolarHBondContact OD1-OH 3.34Å | ||
| 295 | D | 69.5 | Low | 90.8 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.4 | -177.2 | -82.5 | -40.8 | 0 | 0 | 0 | 114.7 | N247 | N247-D295 PolarHBondContact ND2-OD1 2.89Å; N247-D295 PolarHBondContact ND2-OD2 2.82Å; N247-D295 PolarHBondContact OD1-OD1 2.64Å; N247-D295 PolarHBondContact OD1-OD2 2.84Å |
| 296 | V | 74.7 | Confident | 90.9 | Very high | 82 Ų | 82 | 46 Ų | 46 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -7.3 | -160.7 | -161.9 | 0 | 0 | 0 | 0 | 112.3 | D294 | D294-V296 PolarHBondContact O-N 2.98Š|
| 297 | S | 82.2 | Confident | 90.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | trans | -102.6 | 156.9 | -178.2 | -55.7 | 0 | 0 | 0 | 0 | 113 | N273 K275 D294 | N273-S297 WeakPolarHBondContact ND2-CB 3.24Å; N273-S297 PolarHBondContact ND2-OG 2.99Å; N273-S297 VanDerWaalsContact ND2-OG 3.08Å; N273-S297 VanDerWaalsContact OD1-CB 3.3Å; N273-S297 WeakPolarHBondContact OD1-CB 3.41Å; N273-S297 PolarHBondContact OD1-OG 2.73Å; K275-S297 WeakPolarHBondContact CD-OG 3.47Å; D294-S297 WeakPolarHBondContact OD1-CB 3.31Å; D294-S297 PolarHBondContact OD1-N 3.31Å; D294-S297 VanDerWaalsContact OD1-N 3.16Å; D294-S297 PolarHBondContact OD1-OG 3.47Å; D294-S297 PolarHBondContact OD2-OG 3.05Å | ||
| 298 | T | 90.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 22% | 0.221 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.1 | 166 | -59.1 | 0 | 0 | 0 | 0 | 108.6 | T274 Y325 V326 | T274-T298 WeakPolarHBondContact CB-O 3.49Å; T274-T298 PolarHBondContact N-O 2.82Å; T274-T298 WeakPolarHBondContact OG1-CB 3.28Å; T274-T298 PolarHBondContact OG1-O 2.86Å; T298-Y325 HydrophobicContact CG2-CD1 4.48Å; T298-V326 CarbonylContact C-O 3.55Å; T298-V326 WeakPolarHBondContact CA-O 3.43Å |
| 299 | Y | 91.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.9 | -176.8 | -65.7 | -92.6 | 0 | 0 | 0 | 110.4 | L249 I271 Y272 N273 I293 D294 Y325 V326 | L249-Y299 HydrophobicContact CD1-CD1 4.47Å; L249-Y299 HydrophobicContact CD1-CG 4.29Å; I271-Y299 HydrophobicContact CG2-CD1 3.8Å; Y272-Y299 CarbonylContact O-C 3.49Å; Y272-Y299 VanDerWaalsContact O-CA 3.27Å; Y272-Y299 WeakPolarHBondContact O-CA 3.06Å; N273-Y299 HydrophobicContact CB-CD1 4.01Å; N273-Y299 HydrophobicContact CB-CE1 3.75Å; N273-Y299 PolarHBondContact ND2-OH 2.99Å; I293-Y299 HydrophobicContact CB-CE1 4.36Å; I293-Y299 HydrophobicContact CB-CE2 3.76Å; I293-Y299 HydrophobicContact CD1-CD2 4.41Å; I293-Y299 HydrophobicContact CD1-CE2 4.07Å; I293-Y299 HydrophobicContact CG2-CD1 4.3Å; I293-Y299 HydrophobicContact CG2-CD2 4.31Å; I293-Y299 HydrophobicContact CG2-CE1 3.78Å; I293-Y299 HydrophobicContact CG2-CE2 3.84Å; D294-Y299 PolarHBondContact N-OH 2.7Å; D294-Y299 VanDerWaalsContact N-OH 3.11Å; D294-Y299 PolarHBondContact OD1-OH 3.34Å; Y299-Y325 CarbonylContact O-C 3.56Å; Y299-Y325 VanDerWaalsContact O-CA 3.24Å; Y299-Y325 WeakPolarHBondContact O-CA 3.45Å; Y299-V326 PolarHBondContact N-O 3.19Å; Y299-V326 PolarHBondContact O-N 2.81Å |
| 300 | S | 94.8 | Very high | 90 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.1 | 168.8 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | Y272 P323 I324 | Y272-S300 PolarHBondContact N-O 3.02Å; Y272-S300 PolarHBondContact O-N 2.99Å; S300-P323 WeakPolarHBondContact OG-CB 3.4Å; S300-I324 CarbonylContact C-O 3.5Å; S300-I324 WeakPolarHBondContact CA-O 3.34Å |
| 301 | I | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.8 | -178.9 | -61.8 | 87.1 | 0 | 0 | 0 | 109.5 | V242 I251 L269 K270 I271 P323 I324 V326 | V242-I301 HydrophobicContact CG1-CD1 4.24Å; V242-I301 HydrophobicContact CG2-CB 4.27Å; V242-I301 HydrophobicContact CG2-CD1 4.34Å; V242-I301 HydrophobicContact CG2-CG1 4.31Å; V242-I301 HydrophobicContact CG2-CG2 4.31Å; I251-I301 HydrophobicContact CD1-CG1 4.18Å; I251-I301 HydrophobicContact CD1-CG2 4.12Å; I251-I301 HydrophobicContact CG2-CG2 3.98Å; L269-I301 HydrophobicContact CD1-CG2 3.75Å; K270-I301 WeakPolarHBondContact O-CA 2.86Å; I271-I301 HydrophobicContact CG1-CG1 4.48Å; I301-P323 WeakPolarHBondContact O-CA 3.41Å; I301-I324 PolarHBondContact N-O 2.93Å; I301-I324 PolarHBondContact O-N 3.34Å; I301-V326 HydrophobicContact CD1-CG2 3.54Å |
| 302 | Q | 97.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 38.3 Ų | 38.3 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.5 | 174 | -63.5 | -178.6 | -80.1 | 0 | 0 | 110.4 | K270 W320 S321 P323 | K270-Q302 PolarHBondContact N-O 2.9Å; K270-Q302 PolarHBondContact O-N 2.92Å; Q302-W320 HydrophobicContact CB-CB 4.42Å; Q302-W320 HydrophobicContact CB-CD2 4.36Å; Q302-W320 HydrophobicContact CB-CE3 3.69Å; Q302-W320 HydrophobicContact CB-CZ3 4.33Å; Q302-W320 WeakPolarHBondContact O-CZ3 3.45Å; Q302-S321 PolarHBondContact NE2-O 3.09Å; Q302-S321 VanDerWaalsContact NE2-O 3.11Å; Q302-P323 HydrophobicContact CG-CB 3.9Å |
| 303 | V | 98.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.8 | 177.2 | -161.8 | 0 | 0 | 0 | 0 | 109.2 | P237 V240 W253 Y267 K268 L269 S321 | P237-V303 WeakPolarHBondContact CD-O 3.45Å; P237-V303 HydrophobicContact CG-CB 4.04Å; P237-V303 HydrophobicContact CG-CG1 3.83Å; V240-V303 HydrophobicContact CG1-CG2 4Å; V240-V303 HydrophobicContact CG2-CG2 4.25Å; W253-V303 HydrophobicContact CD2-CG1 3.95Å; W253-V303 HydrophobicContact CD2-CG2 4.19Å; W253-V303 HydrophobicContact CE3-CG1 4.35Å; W253-V303 HydrophobicContact CE3-CG2 3.92Å; W253-V303 HydrophobicContact CG-CG1 4.32Å; W253-V303 HydrophobicContact CZ2-CG1 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.36Å; Y267-V303 HydrophobicContact CD1-CG1 4.36Å; K268-V303 WeakPolarHBondContact O-CA 3.2Å; L269-V303 HydrophobicContact CD1-CG2 3.76Å; V303-S321 PolarHBondContact N-OG 2.73Å; V303-S321 VanDerWaalsContact O-CB 3.31Å; V303-S321 WeakPolarHBondContact O-CB 3.3Å; V303-S321 PolarHBondContact O-N 3Å; V303-S321 PolarHBondContact O-OG 2.76Å |
| 304 | R | 97.7 | Very high | 89.5 | Confident | 52 Ų | 52 | 38.9 Ų | 38.9 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.9 | 167.8 | 61.4 | 177.2 | 176.4 | 170.7 | -4.1 | 111 | Y267 K268 W317 G318 E319 W320 | Y267-R304 CarbonylContact C-O 3.59Å; Y267-R304 VanDerWaalsContact CA-O 3.29Å; Y267-R304 WeakPolarHBondContact CA-O 3.35Å; K268-R304 HydrophobicContact CB-CG 3.95Å; K268-R304 PolarHBondContact N-O 2.99Å; K268-R304 PolarHBondContact O-N 3.17Å; R304-W317 HydrophobicContact CG-CE3 3.88Å; R304-W317 HydrophobicContact CG-CZ3 4.39Å; R304-G318 WeakPolarHBondContact CD-O 3.4Å; R304-E319 VanDerWaalsContact CB-O 3.26Å; R304-E319 WeakPolarHBondContact CB-O 3.31Å; R304-W320 HydrophobicContact CB-CD2 4.2Å; R304-W320 HydrophobicContact CB-CE3 4.03Å; R304-W320 HydrophobicContact CG-CD2 3.98Å; R304-W320 HydrophobicContact CG-CE3 3.82Å; R304-W320 HydrophobicContact CG-CH2 4.13Å; R304-W320 HydrophobicContact CG-CZ2 4.26Å; R304-W320 HydrophobicContact CG-CZ3 3.9Å |
| 305 | A | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V234 P237 P256 F265 K266 Y267 G318 | V234-A305 HydrophobicContact CG1-CB 4.18Å; P237-A305 HydrophobicContact CG-CB 4.12Å; P256-A305 HydrophobicContact CB-CB 4.44Å; P256-A305 HydrophobicContact CG-CB 3.9Å; F265-A305 HydrophobicContact CD1-CB 4.17Å; K266-A305 WeakPolarHBondContact O-CA 3.4Å; Y267-A305 HydrophobicContact CD1-CB 3.86Å; Y267-A305 HydrophobicContact CE1-CB 3.87Å; A305-G318 PolarHBondContact O-N 2.82Å |
| 306 | A | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | F265 K266 W317 | F265-A306 WeakPolarHBondContact CA-O 3.38Å; K266-A306 HydrophobicContact CG-CB 4.11Å; K266-A306 PolarHBondContact N-O 3.26Å; K266-A306 PolarHBondContact O-N 3.38Å; A306-W317 HydrophobicContact CB-CD2 3.86Å; A306-W317 HydrophobicContact CB-CE3 3.67Å; A306-W317 HydrophobicContact CB-CG 4.38Å; A306-W317 HydrophobicContact CB-CH2 4.46Å; A306-W317 HydrophobicContact CB-CZ3 3.98Å |
| 307 | V | 94.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.6 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | V234 F260 C264 F265 C311 R312 | V234-V307 HydrophobicContact CG2-CG2 4.1Å; F260-V307 HydrophobicContact CD1-CG1 4.43Å; F260-V307 HydrophobicContact CD2-CG2 4.16Å; F260-V307 HydrophobicContact CE1-CG1 4.4Å; F260-V307 HydrophobicContact CE2-CG2 4.36Å; C264-V307 CarbonylContact O-C 3.56Å; C264-V307 WeakPolarHBondContact O-CA 3.36Å; F265-V307 HydrophobicContact CE1-CG2 4.02Å; V307-C311 HydrophobicContact CG1-CB 4.27Å; V307-R312 HydrophobicContact CG1-CB 3.95Å |
| 308 | S | 92 | Very high | 92 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | trans | -82.2 | 150.4 | -179 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | C264 P310 C311 R312 | C264-S308 WeakPolarHBondContact O-CB 3.2Å; C264-S308 PolarHBondContact O-N 2.73Å; S308-P310 VanDerWaalsContact C-N 3.34Å; S308-P310 WeakPolarHBondContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact OG-CD 3.24Å; S308-C311 PolarHBondContact O-N 3.05Å; S308-C311 VanDerWaalsContact O-N 3.13Å; S308-R312 PolarHBondContact O-N 2.9Å | ||
| 309 | S | 86.9 | Confident | 92.3 | Very high | 79 Ų | 79 | 40.6 Ų | 40.6 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.5 | -177.1 | 55.5 | 0 | 0 | 0 | 0 | 116.1 | C311 R312 | S309-C311 PolarHBondContact O-N 2.94Å; S309-R312 CarbonylContact C-O 3.57Å; S309-R312 VanDerWaalsContact CA-O 3.25Å; S309-R312 WeakPolarHBondContact CA-O 3.33Å |
| 310 | P | 87.3 | Confident | 92.6 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 73% | 0.727 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.4 | 178.7 | -19.3 | 32 | 0 | 0 | 0 | 113.2 | S308 | S308-P310 VanDerWaalsContact C-N 3.34Å; S308-P310 WeakPolarHBondContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact OG-CD 3.24Å |
| 311 | C | 90.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -28.4 | -174.9 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | F260 C264 V307 S308 S309 | F260-C311 HydrophobicContact CD1-CB 4.18Å; F260-C311 HydrophobicContact CE1-CB 4.3Å; C264-C311 WeakPolarHBondContact CA-SG 3.49Å; C264-C311 HydrophobicContact CB-CB 3.59Å; C264-C311 WeakPolarHBondContact CB-SG 3.47Å; C264-C311 WeakPolarHBondContact SG-CB 2.92Å; C264-C311 CovalentContact SG-SG 2.02Å; C264-C311 PolarHBondContact SG-SG 3.17Å; V307-C311 HydrophobicContact CG1-CB 4.27Å; S308-C311 PolarHBondContact O-N 3.05Å; S308-C311 VanDerWaalsContact O-N 3.13Å; S309-C311 PolarHBondContact O-N 2.94Å |
| 312 | R | 90.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -163.3 | 152.6 | 178.1 | -166.8 | 167.5 | 63.9 | -178.9 | 1.6 | 108.2 | S200 Y229 D232 F260 V307 S308 S309 S314 | S200-R312 PolarHBondContact O-NH1 3.1Å; Y229-R312 HydrophobicContact CD1-CG 4.48Å; D232-R312 IonicContact OD2-CZ 2.91Å; D232-R312 VanDerWaalsContact OD2-CZ 3.28Å; D232-R312 IonicContact OD2-NH1 3.24Å; D232-R312 PolarHBondContact OD2-NH1 3.04Å; D232-R312 IonicContact OD2-NH2 2.75Å; D232-R312 PolarHBondContact OD2-NH2 2.82Å; F260-R312 HydrophobicContact CE1-CB 4.47Å; F260-R312 HydrophobicContact CZ-CB 4.39Å; V307-R312 HydrophobicContact CG1-CB 3.95Å; S308-R312 PolarHBondContact O-N 2.9Å; S309-R312 CarbonylContact C-O 3.57Å; S309-R312 VanDerWaalsContact CA-O 3.25Å; S309-R312 WeakPolarHBondContact CA-O 3.33Å; R312-S314 PolarHBondContact O-N 2.78Å |
| 313 | M | 88.4 | Confident | 92.6 | Very high | 119 Ų | 119 | 50.8 Ų | 50.8 | 59% | 0.586 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -50.1 | 144.3 | 169.8 | -73.3 | -159 | -82.4 | 0 | 0 | 111.1 | Y229 G315 | Y229-M313 HydrophobicContact CD1-CB 4.16Å; Y229-M313 HydrophobicContact CD1-CE 4.42Å; Y229-M313 HydrophobicContact CD2-CB 4.35Å; Y229-M313 HydrophobicContact CE1-CB 4.07Å; Y229-M313 HydrophobicContact CE1-CE 3.4Å; Y229-M313 VanDerWaalsContact CE1-CE 3.4Å; Y229-M313 HydrophobicContact CE2-CB 4.32Å; Y229-M313 HydrophobicContact CG-CB 4.31Å; Y229-M313 WeakPolarHBondContact OH-CE 3.45Å; M313-G315 PolarHBondContact O-N 2.77Å; M313-G315 VanDerWaalsContact O-N 3.08Å |
| 314 | S | 84.3 | Confident | 92.4 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 51% | 0.51 | 30% | 0.295 | S | S | . | . | trans | -59.1 | 116.8 | -173.2 | -69.4 | 0 | 0 | 0 | 0 | 110.3 | R312 | R312-S314 PolarHBondContact O-N 2.78Š| ||
| 315 | G | 84.1 | Confident | 92.1 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 26% | 0.258 | 31% | 0.313 | S | S | . | . | trans | -97.7 | -170.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y229 M313 | Y229-G315 VanDerWaalsContact O-CA 3.29Å; Y229-G315 WeakPolarHBondContact O-CA 3.07Å; M313-G315 PolarHBondContact O-N 2.77Å; M313-G315 VanDerWaalsContact O-N 3.08Å | ||
| 316 | S | 87.1 | Confident | 91.8 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 155.8 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 317 | W | 94.3 | Very high | 91.2 | Very high | 78 Ų | 78 | 60.5 Ų | 60.5 | 30% | 0.295 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 139 | 167.6 | -75 | 91.2 | 0 | 0 | 0 | 110 | K266 K268 R304 A306 | K266-W317 HydrophobicContact CD-CH2 4.48Å; K266-W317 HydrophobicContact CG-CH2 4.1Å; K268-W317 HydrophobicContact CB-CE3 4.22Å; K268-W317 HydrophobicContact CB-CH2 3.77Å; K268-W317 HydrophobicContact CB-CZ2 4.45Å; K268-W317 HydrophobicContact CB-CZ3 3.65Å; R304-W317 HydrophobicContact CG-CE3 3.88Å; R304-W317 HydrophobicContact CG-CZ3 4.39Å; A306-W317 HydrophobicContact CB-CD2 3.86Å; A306-W317 HydrophobicContact CB-CE3 3.67Å; A306-W317 HydrophobicContact CB-CG 4.38Å; A306-W317 HydrophobicContact CB-CH2 4.46Å; A306-W317 HydrophobicContact CB-CZ3 3.98Å |
| 318 | G | 94.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V234 R304 A305 | V234-G318 WeakPolarHBondContact O-CA 3.06Å; R304-G318 WeakPolarHBondContact CD-O 3.4Å; A305-G318 PolarHBondContact O-N 2.82Å |
| 319 | E | 95.9 | Very high | 88.4 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -64 | 155 | 173.6 | -69.9 | -56 | 140.1 | 0 | 0 | 111.9 | R304 | R304-E319 VanDerWaalsContact CB-O 3.26Å; R304-E319 WeakPolarHBondContact CB-O 3.31Å |
| 320 | W | 97.3 | Very high | 86.7 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 143.3 | 170.8 | -68.6 | 100.3 | 0 | 0 | 0 | 110.8 | K268 K270 Q302 R304 | K268-W320 HydrophobicContact CB-CH2 4.29Å; K268-W320 HydrophobicContact CD-CH2 4.14Å; K268-W320 HydrophobicContact CD-CZ2 4.41Å; K268-W320 HydrophobicContact CG-CH2 3.93Å; K268-W320 VanDerWaalsContact O-CZ3 3.27Å; K268-W320 WeakPolarHBondContact O-CZ3 3.49Å; K270-W320 HydrophobicContact CB-CE3 4.4Å; K270-W320 HydrophobicContact CB-CH2 3.65Å; K270-W320 HydrophobicContact CB-CZ2 4.48Å; K270-W320 HydrophobicContact CB-CZ3 3.61Å; Q302-W320 HydrophobicContact CB-CB 4.42Å; Q302-W320 HydrophobicContact CB-CD2 4.36Å; Q302-W320 HydrophobicContact CB-CE3 3.69Å; Q302-W320 HydrophobicContact CB-CZ3 4.33Å; Q302-W320 WeakPolarHBondContact O-CZ3 3.45Å; R304-W320 HydrophobicContact CB-CD2 4.2Å; R304-W320 HydrophobicContact CB-CE3 4.03Å; R304-W320 HydrophobicContact CG-CD2 3.98Å; R304-W320 HydrophobicContact CG-CE3 3.82Å; R304-W320 HydrophobicContact CG-CH2 4.13Å; R304-W320 HydrophobicContact CG-CZ2 4.26Å; R304-W320 HydrophobicContact CG-CZ3 3.9Å |
| 321 | S | 97.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 81.2 Ų | 81.2 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -59 | 159.1 | 166.2 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | Q302 V303 | Q302-S321 PolarHBondContact NE2-O 3.09Å; Q302-S321 VanDerWaalsContact NE2-O 3.11Å; V303-S321 PolarHBondContact N-OG 2.73Å; V303-S321 VanDerWaalsContact O-CB 3.31Å; V303-S321 WeakPolarHBondContact O-CB 3.3Å; V303-S321 PolarHBondContact O-N 3Å; V303-S321 PolarHBondContact O-OG 2.76Å |
| 322 | Q | 95.9 | Very high | 83.2 | Confident | 159 Ų | 159 | 83.9 Ų | 83.9 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 139 | 168.3 | -66 | -58.8 | -38.5 | 0 | 0 | 109.9 | I324 | Q322-I324 PolarHBondContact O-N 3.29Š|
| 323 | P | 95.1 | Very high | 81.6 | Confident | 43 Ų | 43 | 89 Ų | 89 | 28% | 0.279 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 130.4 | -178.4 | 27.9 | -33.4 | 0 | 0 | 0 | 110.7 | S300 I301 Q302 Y325 | S300-P323 WeakPolarHBondContact OG-CB 3.4Å; I301-P323 WeakPolarHBondContact O-CA 3.41Å; Q302-P323 HydrophobicContact CG-CB 3.9Å; P323-Y325 HydrophobicContact CB-CE2 3.91Å; P323-Y325 HydrophobicContact CG-CE2 3.92Å |
| 324 | I | 94.4 | Very high | 80.2 | Confident | 51 Ų | 51 | 87.3 Ų | 87.3 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.1 | 171.8 | -60.3 | -179.6 | 0 | 0 | 0 | 108.2 | V240 V242 S300 I301 Q322 V326 | V240-I324 HydrophobicContact CB-CD1 3.68Å; V240-I324 HydrophobicContact CG1-CD1 3.77Å; V240-I324 WeakPolarHBondContact O-CD1 3.44Å; V242-I324 HydrophobicContact CG2-CG2 4.21Å; S300-I324 CarbonylContact C-O 3.5Å; S300-I324 WeakPolarHBondContact CA-O 3.34Å; I301-I324 PolarHBondContact N-O 2.93Å; I301-I324 PolarHBondContact O-N 3.34Å; Q322-I324 PolarHBondContact O-N 3.29Å; I324-V326 HydrophobicContact CG2-CG1 4.11Å |
| 325 | Y | 92.4 | Very high | 79.1 | Confident | 148 Ų | 148 | 89 Ų | 89 | 58% | 0.58 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.5 | 178.9 | -63.3 | -87.8 | 0 | 0 | 0 | 110.7 | T298 Y299 P323 | T298-Y325 HydrophobicContact CG2-CD1 4.48Å; Y299-Y325 CarbonylContact O-C 3.56Å; Y299-Y325 VanDerWaalsContact O-CA 3.24Å; Y299-Y325 WeakPolarHBondContact O-CA 3.45Å; P323-Y325 HydrophobicContact CB-CE2 3.91Å; P323-Y325 HydrophobicContact CG-CE2 3.92Å |
| 326 | V | 89.8 | Confident | 78.2 | Confident | 24 Ų | 24 | 96.6 Ų | 96.6 | 15% | 0.145 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.8 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111 | V242 I244 L249 T298 Y299 I301 I324 | V242-V326 HydrophobicContact CB-CG1 3.95Å; V242-V326 HydrophobicContact CG1-CB 4.46Å; V242-V326 HydrophobicContact CG1-CG1 3.9Å; V242-V326 HydrophobicContact CG1-CG2 3.9Å; I244-V326 HydrophobicContact CD1-CB 3.98Å; I244-V326 HydrophobicContact CD1-CG2 4.14Å; L249-V326 HydrophobicContact CD2-CG2 3.6Å; T298-V326 CarbonylContact C-O 3.55Å; T298-V326 WeakPolarHBondContact CA-O 3.43Å; Y299-V326 PolarHBondContact N-O 3.19Å; Y299-V326 PolarHBondContact O-N 2.81Å; I301-V326 HydrophobicContact CD1-CG2 3.54Å; I324-V326 HydrophobicContact CG2-CG1 4.11Å |
| 327 | G | 84 | Confident | 77.3 | Confident | 34 Ų | 34 | 98.4 Ų | 98.4 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K329 | G327-K329 PolarHBondContact O-N 2.5Å |
| 328 | K | 70.5 | Confident | 76.3 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 117.1 | -177.8 | -67.7 | 178.2 | -176.3 | 166.3 | 0 | 109.3 | K330 | K328-K330 PolarHBondContact O-N 3.01Š|
| 329 | K | 56.1 | Low | 75.4 | Confident | 191 Ų | 191 | 106 Ų | 106 | 83% | 0.83 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 124.4 | 162.9 | -74.5 | -175.4 | 178.6 | 179.4 | 0 | 107.2 | G327 K331 | G327-K329 PolarHBondContact O-N 2.5Å; K329-K331 PolarHBondContact O-N 3.1Å; K329-K331 VanDerWaalsContact O-N 3.15Å |
| 330 | K | 50.4 | Low | 74.8 | Confident | 162 Ų | 162 | 103.5 Ų | 103.5 | 70% | 0.704 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -57 | 124.1 | 159.5 | -90.9 | -172.3 | 174.1 | -176.4 | 0 | 106.2 | K328 P332 | K328-K330 PolarHBondContact O-N 3.01Å; K330-P332 VanDerWaalsContact O-N 3.15Å |
| 331 | K | 49.9 | Very low | 74.2 | Confident | 154 Ų | 154 | 106 Ų | 106 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 124.3 | 157.9 | -68.1 | -164.7 | 176.9 | -167.8 | 0 | 106 | K329 L333 E335 | K329-K331 PolarHBondContact O-N 3.1Å; K329-K331 VanDerWaalsContact O-N 3.15Å; K331-L333 PolarHBondContact O-N 2.75Å; K331-E335 VanDerWaalsContact CD-OE2 3.24Å; K331-E335 WeakPolarHBondContact CD-OE2 3.41Å; K331-E335 IonicContact NZ-OE1 2.69Å; K331-E335 IonicContact NZ-OE2 2.77Å |
| 332 | P | 55.3 | Low | 73.7 | Confident | 87 Ų | 87 | 108.8 Ų | 108.8 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 138.3 | -175.7 | 23.5 | -31.7 | 0 | 0 | 0 | 108.1 | K330 V334 E335 | K330-P332 VanDerWaalsContact O-N 3.15Å; P332-V334 HydrophobicContact CB-CB 4.03Å; P332-V334 HydrophobicContact CB-CG2 3.81Å; P332-V334 HydrophobicContact CG-CB 4.26Å; P332-V334 HydrophobicContact CG-CG2 4.44Å; P332-V334 PolarHBondContact O-N 3.49Å; P332-E335 PolarHBondContact O-N 3.04Å |
| 333 | L | 57 | Low | 73.4 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -12.5 | 176.8 | -136.6 | 123.9 | 0 | 0 | 0 | 112.7 | K331 E335 W336 H337 | K331-L333 PolarHBondContact O-N 2.75Å; L333-E335 VanDerWaalsContact C-N 3.25Å; L333-E335 PolarHBondContact O-N 3.19Å; L333-W336 PolarHBondContact O-N 3.17Å; L333-H337 WeakPolarHBondContact CD2-NE2 3.49Å; L333-H337 PolarHBondContact O-CD2 3.17Å; L333-H337 PolarHBondContact O-N 2.95Å; L333-H337 VanDerWaalsContact O-N 3.07Å |
| 334 | V | 58.4 | Low | 73.2 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -46.9 | -39 | 167.4 | -178.8 | 0 | 0 | 0 | 0 | 113.1 | P332 W336 H337 L338 | P332-V334 HydrophobicContact CB-CB 4.03Å; P332-V334 HydrophobicContact CB-CG2 3.81Å; P332-V334 HydrophobicContact CG-CB 4.26Å; P332-V334 HydrophobicContact CG-CG2 4.44Å; P332-V334 PolarHBondContact O-N 3.49Å; V334-W336 VanDerWaalsContact C-N 3.31Å; V334-W336 PolarHBondContact O-N 3.29Å; V334-H337 PolarHBondContact O-N 3.09Å; V334-L338 HydrophobicContact CG1-CD1 4.29Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.22Å |
| 335 | E | 61.1 | Low | 73.1 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 176.9 | -108.5 | 178 | -170.4 | 0 | 0 | 112.1 | K331 P332 L333 | K331-E335 VanDerWaalsContact CD-OE2 3.24Å; K331-E335 WeakPolarHBondContact CD-OE2 3.41Å; K331-E335 IonicContact NZ-OE1 2.69Å; K331-E335 IonicContact NZ-OE2 2.77Å; P332-E335 PolarHBondContact O-N 3.04Å; L333-E335 VanDerWaalsContact C-N 3.25Å; L333-E335 PolarHBondContact O-N 3.19Å |
| 336 | W | 66.1 | Low | 73 | Confident | 184 Ų | 184 | 102.8 Ų | 102.8 | 70% | 0.697 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.1 | -36.6 | 176.9 | -113.3 | 79.4 | 0 | 0 | 0 | 111.9 | L333 V334 L338 I339 V340 | L333-W336 PolarHBondContact O-N 3.17Å; V334-W336 VanDerWaalsContact C-N 3.31Å; V334-W336 PolarHBondContact O-N 3.29Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 3.38Å; W336-I339 PolarHBondContact O-N 3.29Å; W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CE3-CG2 3.22Å; W336-V340 HydrophobicContact CH2-CG2 4.49Å; W336-V340 HydrophobicContact CZ3-CG2 3.34Å; W336-V340 WeakPolarHBondContact O-CB 3.43Å; W336-V340 WeakPolarHBondContact O-CG2 3.38Å; W336-V340 PolarHBondContact O-N 3.34Å |
| 337 | H | 68.3 | Low | 73.1 | Confident | 110 Ų | 110 | 108.2 Ų | 108.2 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -34.4 | 175.9 | -71.2 | -60.5 | 0 | 0 | 0 | 113 | L333 V334 I339 L341 | L333-H337 WeakPolarHBondContact CD2-NE2 3.49Å; L333-H337 PolarHBondContact O-CD2 3.17Å; L333-H337 PolarHBondContact O-N 2.95Å; L333-H337 VanDerWaalsContact O-N 3.07Å; V334-H337 PolarHBondContact O-N 3.09Å; H337-I339 PolarHBondContact O-N 2.96Å; H337-L341 WeakPolarHBondContact O-CB 3.37Å; H337-L341 PolarHBondContact O-N 2.89Å |
| 338 | L | 71.9 | Confident | 73.5 | Confident | 125 Ų | 125 | 112 Ų | 112 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.2 | -21.3 | 175.7 | -73.2 | 171.7 | 0 | 0 | 0 | 113.4 | V334 W336 P342 | V334-L338 HydrophobicContact CG1-CD1 4.29Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.22Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 3.38Å; L338-P342 WeakPolarHBondContact O-CD 3.21Å; L338-P342 WeakPolarHBondContact O-CG 3.46Å |
| 339 | I | 76.6 | Confident | 74.5 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 59% | 0.59 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -96.9 | -42.7 | 178 | -61 | 171.4 | 0 | 0 | 0 | 110.7 | W336 H337 T343 | W336-I339 PolarHBondContact O-N 3.29Å; H337-I339 PolarHBondContact O-N 2.96Å; I339-T343 WeakPolarHBondContact O-CB 3.45Å; I339-T343 VanDerWaalsContact O-CG2 3.3Å; I339-T343 WeakPolarHBondContact O-CG2 3.34Å; I339-T343 PolarHBondContact O-N 2.84Å; I339-T343 PolarHBondContact O-OG1 2.7Å |
| 340 | V | 83 | Confident | 76.2 | Confident | 61 Ų | 61 | 106.3 Ų | 106.3 | 37% | 0.37 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.2 | -37.2 | -175.7 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | W336 T343 A344 | W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CE3-CG2 3.22Å; W336-V340 HydrophobicContact CH2-CG2 4.49Å; W336-V340 HydrophobicContact CZ3-CG2 3.34Å; W336-V340 WeakPolarHBondContact O-CB 3.43Å; W336-V340 WeakPolarHBondContact O-CG2 3.38Å; W336-V340 PolarHBondContact O-N 3.34Å; V340-T343 VanDerWaalsContact CA-OG1 3.31Å; V340-T343 WeakPolarHBondContact CA-OG1 3.31Å; V340-T343 PolarHBondContact O-OG1 2.9Å; V340-A344 VanDerWaalsContact O-CB 3.25Å; V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 2.92Å |
| 341 | L | 84.2 | Confident | 78 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.2 | -46.9 | -176.4 | -163.7 | 75.6 | 0 | 0 | 0 | 112 | H337 A344 I345 | H337-L341 WeakPolarHBondContact O-CB 3.37Å; H337-L341 PolarHBondContact O-N 2.89Å; L341-A344 PolarHBondContact O-N 2.9Å; L341-I345 HydrophobicContact CG-CD1 4.21Å; L341-I345 WeakPolarHBondContact O-CD1 3.23Å; L341-I345 VanDerWaalsContact O-CG1 3.24Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 2.87Å; L341-I345 VanDerWaalsContact O-N 3.08Å |
| 342 | P | 88 | Confident | 79.7 | Confident | 65 Ų | 65 | 102 Ų | 102 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 177.2 | -20.9 | 34.9 | 0 | 0 | 0 | 112.6 | L338 I345 C346 | L338-P342 WeakPolarHBondContact O-CD 3.21Å; L338-P342 WeakPolarHBondContact O-CG 3.46Å; P342-I345 PolarHBondContact O-N 2.84Å; P342-C346 PolarHBondContact O-N 3.25Å; P342-C346 PolarHBondContact O-SG 3.09Å; P342-C346 VanDerWaalsContact O-SG 3.35Å |
| 343 | T | 88.2 | Confident | 81 | Confident | 72 Ų | 72 | 101.3 Ų | 101.3 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 178.2 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | I339 V340 I345 C346 F347 | I339-T343 WeakPolarHBondContact O-CB 3.45Å; I339-T343 VanDerWaalsContact O-CG2 3.3Å; I339-T343 WeakPolarHBondContact O-CG2 3.34Å; I339-T343 PolarHBondContact O-N 2.84Å; I339-T343 PolarHBondContact O-OG1 2.7Å; V340-T343 VanDerWaalsContact CA-OG1 3.31Å; V340-T343 WeakPolarHBondContact CA-OG1 3.31Å; V340-T343 PolarHBondContact O-OG1 2.9Å; T343-I345 PolarHBondContact O-N 2.91Å; T343-C346 PolarHBondContact O-N 3.28Å; T343-F347 WeakPolarHBondContact O-CD2 3.37Å; T343-F347 PolarHBondContact O-N 3.28Å |
| 344 | A | 91.1 | Very high | 82.3 | Confident | 44 Ų | 44 | 100.7 Ų | 100.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V340 L341 F347 I348 | V340-A344 VanDerWaalsContact O-CB 3.25Å; V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 2.9Å; A344-F347 PolarHBondContact O-N 3.05Å; A344-I348 VanDerWaalsContact O-CG1 3.29Å; A344-I348 WeakPolarHBondContact O-CG1 3.49Å; A344-I348 PolarHBondContact O-N 3Å |
| 345 | I | 91.9 | Very high | 83.5 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 176.6 | -68.2 | 165.1 | 0 | 0 | 0 | 110.8 | L341 P342 T343 F347 I348 L349 | L341-I345 HydrophobicContact CG-CD1 4.21Å; L341-I345 WeakPolarHBondContact O-CD1 3.23Å; L341-I345 VanDerWaalsContact O-CG1 3.24Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 2.87Å; L341-I345 VanDerWaalsContact O-N 3.08Å; P342-I345 PolarHBondContact O-N 2.84Å; T343-I345 PolarHBondContact O-N 2.91Å; I345-F347 VanDerWaalsContact C-N 3.33Å; I345-F347 PolarHBondContact O-N 2.77Å; I345-I348 PolarHBondContact O-N 2.97Å; I345-L349 HydrophobicContact CG2-CD1 3.97Å; I345-L349 HydrophobicContact CG2-CG 4.4Å; I345-L349 WeakPolarHBondContact O-CG 3.48Å; I345-L349 PolarHBondContact O-N 3.43Å |
| 346 | C | 91.7 | Very high | 84.2 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 49% | 0.493 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 176 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | P342 T343 L349 L350 | P342-C346 PolarHBondContact O-N 3.25Å; P342-C346 PolarHBondContact O-SG 3.09Å; P342-C346 VanDerWaalsContact O-SG 3.35Å; T343-C346 PolarHBondContact O-N 3.28Å; C346-L349 PolarHBondContact O-N 3.06Å; C346-L350 VanDerWaalsContact O-CG 3.3Å; C346-L350 WeakPolarHBondContact O-CG 3.08Å; C346-L350 PolarHBondContact O-N 2.93Å |
| 347 | F | 92.3 | Very high | 84.7 | Confident | 138 Ų | 138 | 96.5 Ų | 96.5 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 177 | -94.3 | -76.8 | 0 | 0 | 0 | 112.6 | T343 A344 I345 L349 L350 I351 | T343-F347 WeakPolarHBondContact O-CD2 3.37Å; T343-F347 PolarHBondContact O-N 3.28Å; A344-F347 PolarHBondContact O-N 3.05Å; I345-F347 VanDerWaalsContact C-N 3.33Å; I345-F347 PolarHBondContact O-N 2.77Å; F347-L349 PolarHBondContact O-N 3.37Å; F347-L350 PolarHBondContact O-N 3.47Å; F347-I351 WeakPolarHBondContact O-CD1 3.16Å; F347-I351 VanDerWaalsContact O-CG1 3.25Å; F347-I351 WeakPolarHBondContact O-CG1 3.49Å; F347-I351 PolarHBondContact O-N 3.2Å |
| 348 | I | 92.3 | Very high | 85 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 177.9 | -66.8 | 165.2 | 0 | 0 | 0 | 110.8 | A344 I345 L350 I351 F352 | A344-I348 VanDerWaalsContact O-CG1 3.29Å; A344-I348 WeakPolarHBondContact O-CG1 3.49Å; A344-I348 PolarHBondContact O-N 3Å; I345-I348 PolarHBondContact O-N 2.97Å; I348-L350 PolarHBondContact O-N 2.81Å; I348-I351 PolarHBondContact O-N 2.79Å; I348-F352 WeakPolarHBondContact O-CB 3.35Å; I348-F352 PolarHBondContact O-N 3.03Å |
| 349 | L | 91.3 | Very high | 85.1 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 178.1 | -69.6 | 173.4 | 0 | 0 | 0 | 112.4 | I345 C346 F347 F352 S353 | I345-L349 HydrophobicContact CG2-CD1 3.97Å; I345-L349 HydrophobicContact CG2-CG 4.4Å; I345-L349 WeakPolarHBondContact O-CG 3.48Å; I345-L349 PolarHBondContact O-N 3.43Å; C346-L349 PolarHBondContact O-N 3.06Å; F347-L349 PolarHBondContact O-N 3.37Å; L349-F352 PolarHBondContact O-N 2.98Å; L349-S353 VanDerWaalsContact O-CB 3.31Å; L349-S353 WeakPolarHBondContact O-CB 3.36Å; L349-S353 PolarHBondContact O-N 2.86Å |
| 350 | L | 91.1 | Very high | 84.5 | Confident | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 175.6 | -72.7 | 173.4 | 0 | 0 | 0 | 111.7 | C346 F347 I348 S353 L354 | C346-L350 VanDerWaalsContact O-CG 3.3Å; C346-L350 WeakPolarHBondContact O-CG 3.08Å; C346-L350 PolarHBondContact O-N 2.93Å; F347-L350 PolarHBondContact O-N 3.47Å; I348-L350 PolarHBondContact O-N 2.81Å; L350-S353 PolarHBondContact O-N 2.8Å; L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 WeakPolarHBondContact O-CD1 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.08Å |
| 351 | I | 88.8 | Confident | 83.4 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.4 | -65.7 | 163.6 | 0 | 0 | 0 | 110.4 | F347 I348 S353 L354 I355 | F347-I351 WeakPolarHBondContact O-CD1 3.16Å; F347-I351 VanDerWaalsContact O-CG1 3.25Å; F347-I351 WeakPolarHBondContact O-CG1 3.49Å; F347-I351 PolarHBondContact O-N 3.2Å; I348-I351 PolarHBondContact O-N 2.79Å; I351-S353 PolarHBondContact O-N 2.82Å; I351-L354 PolarHBondContact O-N 3.11Å; I351-I355 HydrophobicContact CG2-CD1 3.76Å; I351-I355 HydrophobicContact CG2-CG1 4.42Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.11Å |
| 352 | F | 85.9 | Confident | 82 | Confident | 131 Ų | 131 | 101.8 Ų | 101.8 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 176.4 | -177.8 | -101.2 | 0 | 0 | 0 | 111.8 | I348 L349 L354 I355 C356 | I348-F352 WeakPolarHBondContact O-CB 3.35Å; I348-F352 PolarHBondContact O-N 3.03Å; L349-F352 PolarHBondContact O-N 2.98Å; F352-L354 PolarHBondContact O-N 2.81Å; F352-I355 PolarHBondContact O-N 2.88Å; F352-C356 VanDerWaalsContact CE1-SG 3.52Å; F352-C356 VanDerWaalsContact CZ-SG 3.52Å; F352-C356 WeakPolarHBondContact O-CB 3.11Å; F352-C356 PolarHBondContact O-N 2.87Å; F352-C356 PolarHBondContact O-SG 2.89Å |
| 353 | S | 82.1 | Confident | 80.5 | Confident | 72 Ų | 72 | 103 Ų | 103 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | L349 L350 I351 C356 R357 | L349-S353 VanDerWaalsContact O-CB 3.31Å; L349-S353 WeakPolarHBondContact O-CB 3.36Å; L349-S353 PolarHBondContact O-N 2.86Å; L350-S353 PolarHBondContact O-N 2.8Å; I351-S353 PolarHBondContact O-N 2.82Å; S353-C356 PolarHBondContact O-N 2.84Å; S353-R357 WeakPolarHBondContact O-CB 3.26Å; S353-R357 PolarHBondContact O-N 2.8Å |
| 354 | L | 84.2 | Confident | 79 | Confident | 107 Ų | 107 | 110.1 Ų | 110.1 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 175.7 | -81.4 | 158.3 | 0 | 0 | 0 | 111.9 | L350 I351 F352 R357 V358 | L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 WeakPolarHBondContact O-CD1 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.08Å; I351-L354 PolarHBondContact O-N 3.11Å; F352-L354 PolarHBondContact O-N 2.81Å; L354-R357 PolarHBondContact O-N 3.5Å; L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.28Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.91Å |
| 355 | I | 82.4 | Confident | 77.4 | Confident | 77 Ų | 77 | 114.3 Ų | 114.3 | 40% | 0.395 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -47.8 | 176.7 | -67.7 | 167.4 | 0 | 0 | 0 | 110.3 | I351 F352 R357 V358 Y359 | I351-I355 HydrophobicContact CG2-CD1 3.76Å; I351-I355 HydrophobicContact CG2-CG1 4.42Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.11Å; F352-I355 PolarHBondContact O-N 2.88Å; I355-R357 PolarHBondContact O-N 2.79Å; I355-V358 PolarHBondContact O-N 2.69Å; I355-Y359 HydrophobicContact CG2-CD2 3.7Å; I355-Y359 HydrophobicContact CG2-CE2 4.07Å; I355-Y359 WeakPolarHBondContact O-CB 3.49Å; I355-Y359 WeakPolarHBondContact O-CD2 3.35Å; I355-Y359 PolarHBondContact O-N 2.84Å |
| 356 | C | 77 | Confident | 75.8 | Confident | 8 Ų | 8 | 117 Ų | 117 | 5% | 0.054 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -59.9 | -34.1 | 177.6 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | F352 S353 H360 L361 | F352-C356 VanDerWaalsContact CE1-SG 3.52Å; F352-C356 VanDerWaalsContact CZ-SG 3.52Å; F352-C356 WeakPolarHBondContact O-CB 3.11Å; F352-C356 PolarHBondContact O-N 2.87Å; F352-C356 PolarHBondContact O-SG 2.89Å; S353-C356 PolarHBondContact O-N 2.84Å; C356-H360 PolarHBondContact O-N 2.84Å; C356-L361 PolarHBondContact O-N 3.15Å |
| 357 | R | 76.1 | Confident | 74 | Confident | 203 Ų | 203 | 118.2 Ų | 118.2 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.2 | -43.8 | 176.4 | -164 | 178.6 | -171.3 | -172.1 | 2.8 | 112.2 | S353 L354 I355 | S353-R357 WeakPolarHBondContact O-CB 3.26Å; S353-R357 PolarHBondContact O-N 2.8Å; L354-R357 PolarHBondContact O-N 3.5Å; I355-R357 PolarHBondContact O-N 2.79Å |
| 358 | V | 75.1 | Confident | 72.5 | Confident | 107 Ų | 107 | 117.3 Ų | 117.3 | 65% | 0.648 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.8 | -37.7 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | L354 I355 | L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.28Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.91Å; I355-V358 PolarHBondContact O-N 2.69Å |
| 359 | Y | 73.6 | Confident | 70.7 | Confident | 168 Ų | 168 | 118.4 Ų | 118.4 | 66% | 0.659 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 5.7 | -177.9 | -73.4 | -82.1 | 0 | 0 | 0 | 114.5 | I355 L361 | I355-Y359 HydrophobicContact CG2-CD2 3.7Å; I355-Y359 HydrophobicContact CG2-CE2 4.07Å; I355-Y359 WeakPolarHBondContact O-CB 3.49Å; I355-Y359 WeakPolarHBondContact O-CD2 3.35Å; I355-Y359 PolarHBondContact O-N 2.84Å; Y359-L361 PolarHBondContact O-N 3.03Å |
| 360 | H | 64.1 | Low | 68.9 | Low | 127 Ų | 127 | 119 Ų | 119 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.7 | 32.8 | -176.9 | -79.7 | -73.9 | 0 | 0 | 0 | 113.6 | C356 W362 T363 | C356-H360 PolarHBondContact O-N 2.84Å; H360-W362 PolarHBondContact O-N 2.75Å; H360-T363 PolarHBondContact O-N 2.96Å; H360-T363 PolarHBondContact O-OG1 2.88Å |
| 361 | L | 59.5 | Low | 66.9 | Low | 73 Ų | 73 | 118.2 Ų | 118.2 | 38% | 0.382 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.1 | -27.4 | -175.8 | -75.5 | 161.1 | 0 | 0 | 0 | 112.1 | C356 Y359 T363 R364 L365 | C356-L361 PolarHBondContact O-N 3.15Å; Y359-L361 PolarHBondContact O-N 3.03Å; L361-T363 VanDerWaalsContact C-N 3.32Å; L361-T363 PolarHBondContact O-N 2.81Å; L361-R364 PolarHBondContact O-N 2.85Å; L361-L365 PolarHBondContact O-N 3.07Å; L361-L365 VanDerWaalsContact O-N 3.1Å |
| 362 | W | 55.3 | Low | 64.9 | Low | 162 Ų | 162 | 119.8 Ų | 119.8 | 61% | 0.614 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -33.1 | 175 | -82.9 | 91.8 | 0 | 0 | 0 | 113.4 | H360 R364 F366 | H360-W362 PolarHBondContact O-N 2.75Å; W362-R364 VanDerWaalsContact C-N 3.29Å; W362-R364 PolarHBondContact O-N 2.89Å; W362-F366 AromaticContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CE2 4.09Å; W362-F366 AromaticContact CZ3-CD2 3.91Å; W362-F366 HydrophobicContact CZ3-CD2 3.91Å; W362-F366 AromaticContact CZ3-CE2 3.78Å; W362-F366 HydrophobicContact CZ3-CE2 3.78Å; W362-F366 PolarHBondContact O-N 3.16Å; W362-F366 VanDerWaalsContact O-N 3.16Å |
| 363 | T | 56 | Low | 62.8 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.6 | -14.7 | 177.8 | 59 | 0 | 0 | 0 | 0 | 112.8 | H360 L361 | H360-T363 PolarHBondContact O-N 2.96Å; H360-T363 PolarHBondContact O-OG1 2.88Å; L361-T363 VanDerWaalsContact C-N 3.32Å; L361-T363 PolarHBondContact O-N 2.81Å |
| 364 | R | 56.4 | Low | 61 | Low | 222 Ų | 222 | 125.7 Ų | 125.7 | 84% | 0.838 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -89.4 | -32.5 | 171.7 | -81 | -158.3 | 177.1 | -163.8 | 1.7 | 113.9 | L361 W362 | L361-R364 PolarHBondContact O-N 2.85Å; W362-R364 VanDerWaalsContact C-N 3.29Å; W362-R364 PolarHBondContact O-N 2.89Å |
| 365 | L | 58.4 | Low | 58.9 | Low | 132 Ų | 132 | 126.4 Ų | 126.4 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.2 | -24.5 | -179.3 | -76.4 | 160.8 | 0 | 0 | 0 | 113.1 | L361 | L361-L365 PolarHBondContact O-N 3.07Å; L361-L365 VanDerWaalsContact O-N 3.1Å |
| 366 | F | 58.5 | Low | 57.4 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -135 | 89.2 | 176.1 | -61.8 | -80.2 | 0 | 0 | 0 | 110.5 | W362 | W362-F366 AromaticContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CE2 4.09Å; W362-F366 AromaticContact CZ3-CD2 3.91Å; W362-F366 HydrophobicContact CZ3-CD2 3.91Å; W362-F366 AromaticContact CZ3-CE2 3.78Å; W362-F366 HydrophobicContact CZ3-CE2 3.78Å; W362-F366 PolarHBondContact O-N 3.16Å; W362-F366 VanDerWaalsContact O-N 3.16Å |
| 367 | P | 54.3 | Low | 55.3 | Low | 99 Ų | 99 | 138.3 Ų | 138.3 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142.6 | 173.5 | 26.7 | -32 | 0 | 0 | 0 | 110.4 | V369 | P367-V369 PolarHBondContact O-N 3.27Š|
| 368 | P | 60.4 | Low | 53.7 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132.9 | 178.6 | 25.3 | -31.6 | 0 | 0 | 0 | 110.7 | ||
| 369 | V | 55.1 | Low | 51.8 | Low | 137 Ų | 137 | 137.8 Ų | 137.8 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.3 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | P367 A371 | P367-V369 PolarHBondContact O-N 3.27Å; V369-A371 PolarHBondContact O-N 2.78Å |
| 370 | P | 53.5 | Low | 50.8 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129.5 | -176.8 | 24.7 | -30.8 | 0 | 0 | 0 | 111.6 | ||
| 371 | A | 49.1 | Very low | 49.2 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V369 | V369-A371 PolarHBondContact O-N 2.78Š|
| 372 | P | 46.2 | Very low | 48.1 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72 | 138.7 | 176.4 | 27.2 | -31.4 | 0 | 0 | 0 | 112.1 | S374 | P372-S374 PolarHBondContact O-N 2.98Š|
| 373 | K | 41.2 | Very low | 46.9 | Very low | 215 Ų | 215 | 135 Ų | 135 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122 | -179.7 | -68.8 | 178.6 | 176.1 | 179.3 | 0 | 111.3 | ||
| 374 | S | 45.1 | Very low | 45.9 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -89.3 | 113.3 | 164 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | P372 I376 | P372-S374 PolarHBondContact O-N 2.98Å; S374-I376 PolarHBondContact O-N 3.26Å | ||
| 375 | S | 39 | Very low | 44.7 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -80.9 | 114.6 | 167.8 | 67.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 376 | I | 50.8 | Low | 43.4 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -64 | 133.5 | 167.3 | -63.3 | 162.4 | 0 | 0 | 0 | 109.1 | S374 | S374-I376 PolarHBondContact O-N 3.26Š| ||
| 377 | K | 34.3 | Very low | 42.2 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -152.1 | 105.8 | 138.1 | -76.1 | -155.7 | 177.1 | 178.9 | 0 | 110.7 | ||||
| 378 | D | 41.5 | Very low | 41.7 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | 43.2 | 115.9 | 128.9 | -49.1 | -34.4 | 0 | 0 | 0 | 119.4 | |||||
| 379 | L | 35.1 | Very low | 41.2 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -151.1 | 120.7 | 130.9 | -104.3 | 152.3 | 0 | 0 | 0 | 109.2 | ||||
| 380 | P | 52 | Low | 40.1 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -84.3 | 163.5 | 168 | 35.1 | -29.7 | 0 | 0 | 0 | 109.8 | ||||
| 381 | V | 30.5 | Very low | 39.1 | Very low | 123 Ų | 123 | 145 Ų | 145 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 147.8 | 108.8 | 143.2 | 163.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 382 | V | 36.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | 49.5 | 121.5 | 126.5 | -155.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 383 | T | 31.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | -171.5 | 135.2 | 73.2 | 32.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 384 | E | 35.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | 21.1 | 124.1 | 123.9 | -129.5 | 170.1 | -153.8 | 0 | 0 | 118.6 | |||||
| 385 | Y | 30.8 | Very low | 37.2 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | 167.4 | 128 | 115.8 | -104.2 | -94.7 | 0 | 0 | 0 | 113.4 | |||||
| 386 | E | 31.4 | Very low | 36.9 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 62.3 | 137.6 | 143 | -78.4 | 174.3 | 174 | 0 | 0 | 126.1 | ||||
| 387 | K | 32 | Very low | 36.1 | Very low | 194 Ų | 194 | 152 Ų | 152 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -87.1 | -176.9 | 169.9 | -97.7 | -179.3 | -178.8 | 176 | 0 | 109.9 | ||||
| 388 | P | 44 | Very low | 36.1 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -135.9 | -134.2 | -29.9 | 35.7 | -10.4 | 0 | 0 | 0 | 111.6 | ||||
| 389 | P | 50.9 | Low | 35.6 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | -117.2 | -176.8 | -128.5 | 36.5 | -13.2 | 0 | 0 | 0 | 115.2 | |||||
| 390 | W | 31.2 | Very low | 35.7 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 160.7 | 153.7 | 134.9 | -93.7 | 90.9 | 0 | 0 | 0 | 113.7 | ||||
| 391 | N | 33.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -62.2 | 164.4 | 178 | -68 | -31.4 | 0 | 0 | 0 | 115.2 | ||||
| 392 | E | 37.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 155.2 Ų | 155.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 164.8 | 131.8 | 110.7 | -88.8 | -175.1 | -172.5 | 0 | 0 | 115.8 | |||||
| 393 | T | 36.7 | Very low | 35.2 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 13.1 | 136.4 | 141.3 | 25.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 394 | K | 31.5 | Very low | 35.2 | Very low | 197 Ų | 197 | 159.9 Ų | 159.9 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 180 | 113.2 | 126.8 | -117.3 | 178 | 173.8 | 177.7 | 0 | 110.1 | |||||
| 395 | I | 36.8 | Very low | 35 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 57.8 | 112.7 | 83.6 | -52.7 | 171.7 | 0 | 0 | 0 | 115.4 | I397 | I395-I397 HydrophobicContact CG2-CD1 4.37Å; I395-I397 HydrophobicContact CG2-CG1 4.44Å | |||
| 396 | E | 33 | Very low | 35.1 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -153.2 | 144.3 | 129.3 | -118.5 | 174.4 | -163.6 | 0 | 0 | 111.2 | |||||
| 397 | I | 33.6 | Very low | 35.2 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | trans | -111.6 | 175 | -165 | -69.9 | 165.5 | 0 | 0 | 0 | 108.8 | I395 | I395-I397 HydrophobicContact CG2-CD1 4.37Å; I395-I397 HydrophobicContact CG2-CG1 4.44Å | ||
| 398 | V | 33.8 | Very low | 35.3 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 113.6 | 128.4 | 153.3 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 399 | H | 30.8 | Very low | 34.8 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | cis | -160.7 | 151.6 | -7.5 | -142.6 | -104.1 | 0 | 0 | 0 | 106.9 | ||||
| 400 | F | 37.7 | Very low | 34.1 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -82.9 | 144.5 | 156.5 | -96.8 | -100.2 | 0 | 0 | 0 | 109 | ||||
| 401 | V | 35.2 | Very low | 34.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -132.6 | 119.6 | 152.7 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 402 | E | 39.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -104.5 | 137.3 | 163.2 | -175.2 | 175.3 | -143.1 | 0 | 0 | 105.4 | ||||
| 403 | E | 34.5 | Very low | 34.6 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -164.1 | 109.9 | 158.3 | -112.5 | 179.9 | -179 | 0 | 0 | 104.4 | ||||
| 404 | D | 30.6 | Very low | 35 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | 79.5 | 117.9 | 51.9 | -150 | 18.2 | 0 | 0 | 0 | 113.4 | |||||
| 405 | G | 31.4 | Very low | 35.2 | Very low | 53 Ų | 53 | 150.6 Ų | 150.6 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | trans | 98.5 | 132.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 406 | F | 31.9 | Very low | 35.1 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | 83.2 | 137.9 | 148.9 | -75.9 | -104.3 | 0 | 0 | 0 | 118.5 | ||||
| 407 | E | 33.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | cis | -175.9 | 152.2 | -13 | -120 | -167.9 | 174 | 0 | 0 | 106.3 | ||||
| 408 | V | 34.2 | Very low | 35.3 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | 62.4 | 112.8 | 138.3 | -179.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 409 | M | 33.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 158.3 | 128.2 | 91.2 | -144.4 | 147.2 | 46.8 | 0 | 0 | 114.3 | |||||
| 410 | E | 36.4 | Very low | 35.7 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | trans | 65.7 | 126.8 | 136.6 | -79.4 | -173.4 | 135.7 | 0 | 0 | 125.1 | ||||
| 411 | N | 34.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | 69.7 | 145.8 | 127.2 | -63.4 | -13.6 | 0 | 0 | 0 | 118.6 | |||||
| 412 | S | 38.4 | Very low | 35.6 | Very low | 85 Ų | 85 | 148.2 Ų | 148.2 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | cis | -176.9 | 154.4 | -7.3 | -96.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 413 | L | 39.9 | Very low | 35.2 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 48.3 | 118 | 146.6 | -75.9 | 148.6 | 0 | 0 | 0 | 119.5 | ||||
| 414 | F | 44 | Very low | 35.3 | Very low | 277 Ų | 277 | 142.5 Ų | 142.5 | 100% | 1.215 | 74% | 0.74 | S | S | * | * | -162.2 | 0 | 99.4 | -98.8 | -73.1 | 0 | 0 | 0 | 111 |
Retrieved 414 of 414 residues in 827.7 ms
(Link to these results)