| 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 | 36.5 | Very low | 36.8 | Very low | 240 Ų | 240 | 155.3 Ų | 155.3 | 100% | 1.182 | 84% | 0.842 | S | S | * | * | 0 | 87.9 | 0 | -70 | 169.4 | 83.1 | 0 | 0 | 108.3 | |||||
| 2 | Q | 40.2 | Very low | 36.2 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -162.2 | 88.7 | 172.2 | -125.3 | 172 | -25.8 | 0 | 0 | 106.9 | ||||
| 3 | W | 38.1 | Very low | 36.1 | Very low | 260 Ų | 260 | 145.7 Ų | 145.7 | 99% | 0.985 | 82% | 0.819 | S | S | * | * | trans | -90.3 | 99.3 | 171.4 | -80.7 | 45.6 | 0 | 0 | 0 | 106.3 | A5 | W3-A5 PolarHBondContact O-N 2.87Å; W3-A5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | S | 40.4 | Very low | 36 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -67 | 108.9 | 175.3 | -53.3 | 0 | 0 | 0 | 0 | 108.7 | A6 | S4-A6 PolarHBondContact O-N 3.18Š| ||
| 5 | A | 39.5 | Very low | 36.3 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -60.5 | 103.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | W3 F7 | W3-A5 PolarHBondContact O-N 2.87Å; W3-A5 VanDerWaalsContact O-N 3.15Å; A5-F7 VanDerWaalsContact C-N 3.29Å; A5-F7 HydrophobicContact CB-CD2 4.36Å; A5-F7 PolarHBondContact O-N 3.44Å | ||
| 6 | A | 40.5 | Very low | 37 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -72.7 | 87.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | S4 L8 | S4-A6 PolarHBondContact O-N 3.18Å; A6-L8 PolarHBondContact O-N 3.22Å | ||
| 7 | F | 31.9 | Very low | 37.6 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -75.8 | 103.6 | 164 | -103.7 | -93.6 | 0 | 0 | 0 | 109 | A5 | A5-F7 VanDerWaalsContact C-N 3.29Å; A5-F7 HydrophobicContact CB-CD2 4.36Å; A5-F7 PolarHBondContact O-N 3.44Å | ||
| 8 | L | 39.3 | Very low | 38.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -147.5 | 88.1 | 157.4 | -79.7 | -177.4 | 0 | 0 | 0 | 111 | A6 | A6-L8 PolarHBondContact O-N 3.22Š| ||
| 9 | I | 33.9 | Very low | 39.7 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 43 | 103.5 | 132.6 | -53.5 | 170.9 | 0 | 0 | 0 | 116.5 | I11 | I9-I11 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | A | 29.4 | Very low | 40.8 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -54.9 | 104.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A12 | A10-A12 PolarHBondContact O-N 3.45Š| ||
| 11 | I | 35.6 | Very low | 41.7 | Very low | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -82.9 | 101.3 | 158.1 | -63.4 | 175 | 0 | 0 | 0 | 105.5 | I9 C13 | I9-I11 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact O-N 3.08Å; I11-C13 VanDerWaalsContact C-N 3.27Å; I11-C13 PolarHBondContact O-N 3.42Å | ||
| 12 | A | 28.7 | Very low | 42.6 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | trans | -56.4 | 94.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A10 L14 | A10-A12 PolarHBondContact O-N 3.45Å; A12-L14 PolarHBondContact O-N 2.76Å | ||
| 13 | C | 36 | Very low | 43.2 | Very low | 101 Ų | 101 | 112.9 Ų | 112.9 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | trans | -64 | 87.9 | 167.1 | -82.5 | 0 | 0 | 0 | 0 | 107.6 | I11 H15 | I11-C13 VanDerWaalsContact C-N 3.27Å; I11-C13 PolarHBondContact O-N 3.42Å; C13-H15 VanDerWaalsContact C-N 3.34Å; C13-H15 PolarHBondContact O-CD2 3.19Å; C13-H15 VanDerWaalsContact O-CD2 3.28Å; C13-H15 PolarHBondContact O-N 2.8Å | ||
| 14 | L | 33.7 | Very low | 44 | Very low | 143 Ų | 143 | 100.7 Ų | 100.7 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | trans | -56.2 | 97.7 | 168.6 | -94.9 | 160.7 | 0 | 0 | 0 | 108.3 | A12 L16 | A12-L14 PolarHBondContact O-N 2.76Å; L14-L16 HydrophobicContact CB-CD1 3.56Å; L14-L16 HydrophobicContact CD1-CD1 4.46Å; L14-L16 HydrophobicContact CD2-CD1 3.82Å; L14-L16 HydrophobicContact CG-CD1 4.15Å; L14-L16 PolarHBondContact O-N 2.81Å | ||
| 15 | H | 40.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 99.5 Ų | 99.5 | 82% | 0.824 | 58% | 0.577 | S | S | * | * | trans | -61.3 | 76.5 | 166 | -71.2 | -94.3 | 0 | 0 | 0 | 108.9 | C13 S17 | C13-H15 VanDerWaalsContact C-N 3.34Å; C13-H15 PolarHBondContact O-CD2 3.19Å; C13-H15 VanDerWaalsContact O-CD2 3.28Å; C13-H15 PolarHBondContact O-N 2.8Å; H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 2.93Å | ||
| 16 | L | 47.2 | Very low | 46.2 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 40% | 0.403 | 56% | 0.563 | S | S | . | * | trans | -80.9 | 84.7 | 173.7 | -96.5 | 85.9 | 0 | 0 | 0 | 109.1 | L14 Y190 | L14-L16 HydrophobicContact CB-CD1 3.56Å; L14-L16 HydrophobicContact CD1-CD1 4.46Å; L14-L16 HydrophobicContact CD2-CD1 3.82Å; L14-L16 HydrophobicContact CG-CD1 4.15Å; L14-L16 PolarHBondContact O-N 2.81Å; L16-Y190 HydrophobicContact CD2-CE1 4.31Å | ||
| 17 | S | 47.6 | Very low | 48.1 | Very low | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | trans | -51.6 | 149.9 | 161.9 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | H15 I19 | H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 2.93Å; S17-I19 PolarHBondContact O-N 3.12Å | ||
| 18 | T | 54.5 | Low | 50.6 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | trans | -54.5 | 105.8 | 159 | 49.4 | 0 | 0 | 0 | 0 | 107.4 | L20 | T18-L20 PolarHBondContact O-N 2.57Š| ||
| 19 | I | 60.9 | Low | 52.8 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -75.4 | 84.7 | 176 | -54.2 | 177.1 | 0 | 0 | 0 | 105.7 | S17 F152 | S17-I19 PolarHBondContact O-N 3.12Å; I19-F152 HydrophobicContact CG2-CE2 4.35Å; I19-F152 HydrophobicContact CG2-CZ 4.42Å | ||
| 20 | L | 62.4 | Low | 55.3 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 141.6 | 163.9 | -106.4 | 86.2 | 0 | 0 | 0 | 108 | T18 Y195 K201 | T18-L20 PolarHBondContact O-N 2.57Å; L20-Y195 HydrophobicContact CD2-CD1 4.28Å; L20-Y195 HydrophobicContact CD2-CE1 3.94Å; L20-K201 HydrophobicContact CD1-CB 4.5Å; L20-K201 HydrophobicContact CD1-CD 3.84Å; L20-K201 HydrophobicContact CG-CB 4.36Å; L20-K201 HydrophobicContact CG-CD 4.2Å |
| 21 | C | 59.7 | Low | 58.1 | Low | 12 Ų | 12 | 73.5 Ų | 73.5 | 8% | 0.081 | 42% | 0.419 | C | S | . | . | trans | -110 | 89.3 | 170.8 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | K23 C24 F152 | C21-K23 PolarHBondContact O-N 3.49Å; C21-C24 HydrophobicContact CB-CB 3.35Å; C21-C24 WeakPolarHBondContact CB-SG 3.24Å; C21-C24 WeakPolarHBondContact O-CB 3.22Å; C21-C24 PolarHBondContact O-N 3.24Å; C21-C24 VanDerWaalsContact SG-CA 3.55Å; C21-C24 WeakPolarHBondContact SG-CB 3.06Å; C21-C24 PolarHBondContact SG-N 2.82Å; C21-C24 CovalentContact SG-SG 1.99Å; C21-C24 PolarHBondContact SG-SG 2.92Å; C21-F152 HydrophobicContact CB-CD2 3.79Å; C21-F152 HydrophobicContact CB-CE1 4.4Å; C21-F152 HydrophobicContact CB-CE2 3.3Å; C21-F152 HydrophobicContact CB-CZ 3.64Å | ||
| 22 | D | 54.4 | Low | 60.4 | Low | 123 Ų | 123 | 71 Ų | 71 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61.1 | -29.2 | 176.5 | -59.8 | -25.2 | 0 | 0 | 0 | 111.6 | ||
| 23 | K | 52.1 | Low | 63.1 | Low | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.47 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -90.7 | 6.2 | 175.2 | -60.6 | -171.8 | -177.6 | -178.8 | 0 | 114 | C21 T25 | C21-K23 PolarHBondContact O-N 3.49Å; K23-T25 VanDerWaalsContact C-N 3.28Å |
| 24 | C | 55.5 | Low | 65.2 | Low | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -93.4 | 12.1 | 171.9 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | C21 S26 F152 F154 | C21-C24 HydrophobicContact CB-CB 3.35Å; C21-C24 WeakPolarHBondContact CB-SG 3.24Å; C21-C24 WeakPolarHBondContact O-CB 3.22Å; C21-C24 PolarHBondContact O-N 3.24Å; C21-C24 VanDerWaalsContact SG-CA 3.55Å; C21-C24 WeakPolarHBondContact SG-CB 3.06Å; C21-C24 PolarHBondContact SG-N 2.82Å; C21-C24 CovalentContact SG-SG 1.99Å; C21-C24 PolarHBondContact SG-SG 2.92Å; C24-S26 PolarHBondContact O-N 3.38Å; C24-F152 WeakPolarHBondContact SG-CD2 3.22Å; C24-F154 HydrophobicContact CB-CE1 4.47Å; C24-F154 HydrophobicContact CB-CZ 3.85Å; C24-F154 WeakPolarHBondContact SG-CZ 3.42Å |
| 25 | T | 60.3 | Low | 67.2 | Low | 87 Ų | 87 | 66.3 Ų | 66.3 | 53% | 0.534 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -52.2 | 138.8 | 151.6 | 48.4 | 0 | 0 | 0 | 0 | 107.5 | K23 E27 | K23-T25 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.88Å |
| 26 | S | 66.9 | Low | 68.6 | Low | 54 Ų | 54 | 60.9 Ų | 60.9 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | trans | -52.7 | 112.3 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | C24 V28 | C24-S26 PolarHBondContact O-N 3.38Å; S26-V28 WeakPolarHBondContact O-CG2 3.38Å; S26-V28 PolarHBondContact O-N 2.89Å | ||
| 27 | E | 79.3 | Confident | 69.2 | Low | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | trans | -72 | 126.4 | 167.6 | -75.1 | -172.2 | -177.7 | 0 | 0 | 106.5 | T25 S114 F115 R149 I164 H165 | T25-E27 PolarHBondContact O-N 2.88Å; E27-S114 WeakPolarHBondContact OE2-CB 3.44Å; E27-S114 PolarHBondContact OE2-OG 2.83Å; E27-F115 HydrophobicContact CB-CE2 4.44Å; E27-F115 HydrophobicContact CB-CZ 4.31Å; E27-R149 IonicContact OE1-CZ 2.74Å; E27-R149 IonicContact OE1-NH1 3.2Å; E27-R149 PolarHBondContact OE1-NH1 3.15Å; E27-R149 IonicContact OE1-NH2 2.81Å; E27-R149 PolarHBondContact OE1-NH2 2.87Å; E27-R149 IonicContact OE2-CZ 2.73Å; E27-R149 IonicContact OE2-NH1 3.92Å; E27-R149 PolarHBondContact OE2-NH1 3.19Å; E27-R149 IonicContact OE2-NH2 2.6Å; E27-I164 CarbonylContact O-C 3.4Å; E27-I164 VanDerWaalsContact O-CA 3.27Å; E27-I164 WeakPolarHBondContact O-CA 3.47Å; E27-H165 HydrophobicContact CB-CB 4.38Å; E27-H165 PolarHBondContact O-N 2.91Å; E27-H165 IonicContact OE2-CE1 2.76Å; E27-H165 IonicContact OE2-ND1 2.97Å | ||
| 28 | V | 84.1 | Confident | 70 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.3 | -174.5 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | S26 R162 I164 | S26-V28 WeakPolarHBondContact O-CG2 3.38Å; S26-V28 PolarHBondContact O-N 2.89Å; V28-R162 HydrophobicContact CG1-CB 4.07Å; V28-R162 HydrophobicContact CG1-CG 4.16Å; V28-I164 HydrophobicContact CB-CG2 4.05Å; V28-I164 HydrophobicContact CG1-CG2 3.86Å; V28-I164 HydrophobicContact CG2-CB 4.12Å; V28-I164 HydrophobicContact CG2-CG2 3.5Å |
| 29 | S | 86.5 | Confident | 70.4 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.1 | 168.1 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | Y117 I130 R162 V163 | S29-Y117 PolarHBondContact OG-OH 2.78Å; S29-I130 VanDerWaalsContact CB-CD1 3.45Å; S29-R162 CarbonylContact O-C 3.59Å; S29-R162 WeakPolarHBondContact O-CA 3.23Å; S29-V163 PolarHBondContact N-O 2.81Å; S29-V163 PolarHBondContact O-N 3.18Å |
| 30 | S | 86.2 | Confident | 70.8 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.6 | -177.1 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | Y32 N161 | S30-Y32 WeakPolarHBondContact O-CD2 3.41Å; S30-Y32 WeakPolarHBondContact O-CE2 3.27Å; S30-N161 CarbonylContact C-O 3.54Å; S30-N161 WeakPolarHBondContact CA-O 3.47Å |
| 31 | S | 86.8 | Confident | 70.8 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | trans | -83 | 147.7 | 165.9 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | L128 I130 N161 | S31-L128 WeakPolarHBondContact CA-O 3.41Å; S31-I130 PolarHBondContact OG-N 2.76Å; S31-I130 VanDerWaalsContact OG-N 3.15Å; S31-N161 PolarHBondContact N-O 3.39Å | ||
| 32 | Y | 85.7 | Confident | 71.1 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.8 | -179 | -57.5 | -86.9 | 0 | 0 | 0 | 109.4 | S30 F77 G127 L128 | S30-Y32 WeakPolarHBondContact O-CD2 3.41Å; S30-Y32 WeakPolarHBondContact O-CE2 3.27Å; Y32-F77 HydrophobicContact CD1-CD2 4.45Å; Y32-F77 HydrophobicContact CD1-CE2 4.12Å; Y32-F77 HydrophobicContact CD1-CZ 4.16Å; Y32-F77 HydrophobicContact CD2-CD1 4.34Å; Y32-F77 HydrophobicContact CD2-CE1 4.23Å; Y32-F77 HydrophobicContact CE1-CE1 4.45Å; Y32-F77 HydrophobicContact CE1-CE2 4.28Å; Y32-F77 AromaticContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE2-CE1 4.17Å; Y32-F77 HydrophobicContact CE2-CZ 4.47Å; Y32-F77 HydrophobicContact CG-CD1 4.41Å; Y32-F77 HydrophobicContact CG-CE1 4.41Å; Y32-F77 HydrophobicContact CG-CG 4.48Å; Y32-F77 HydrophobicContact CG-CZ 4.48Å; Y32-G127 CarbonylContact O-C 3.55Å; Y32-G127 WeakPolarHBondContact O-CA 3.32Å; Y32-L128 PolarHBondContact N-O 3.01Å; Y32-L128 PolarHBondContact O-N 2.86Å |
| 33 | Y | 84.7 | Confident | 72.1 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 45% | 0.447 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.1 | -177.3 | -62.8 | -90.7 | 0 | 0 | 0 | 109.8 | I126 V129 | Y33-I126 WeakPolarHBondContact CA-O 3.29Å; Y33-V129 HydrophobicContact CD1-CG2 4.44Å; Y33-V129 HydrophobicContact CE1-CG2 3.5Å; Y33-V129 WeakPolarHBondContact OH-CG2 3.48Å |
| 34 | Y | 80.9 | Confident | 73.5 | Confident | 65 Ų | 65 | 68 Ų | 68 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.9 | 168.5 | -166.7 | -82.5 | 0 | 0 | 0 | 109.1 | F78 L80 P94 R125 I126 | Y34-F78 HydrophobicContact CD2-CD2 4.22Å; Y34-F78 HydrophobicContact CG-CD2 4.42Å; Y34-L80 HydrophobicContact CD1-CD2 4.32Å; Y34-L80 HydrophobicContact CD2-CD2 4.22Å; Y34-L80 HydrophobicContact CE1-CD2 4.04Å; Y34-L80 HydrophobicContact CE2-CD1 3.98Å; Y34-L80 HydrophobicContact CE2-CD2 3.95Å; Y34-L80 HydrophobicContact CG-CD2 4.39Å; Y34-P94 HydrophobicContact CD1-CB 4.01Å; Y34-P94 HydrophobicContact CD1-CG 3.6Å; Y34-P94 HydrophobicContact CE1-CG 4.3Å; Y34-P94 HydrophobicContact CG-CB 4.32Å; Y34-P94 HydrophobicContact CG-CG 4.25Å; Y34-R125 WeakPolarHBondContact O-CA 3.27Å; Y34-R125 WeakPolarHBondContact O-CB 3.36Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.8Å |
| 35 | D | 75.6 | Confident | 75 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.9 | 179.7 | -162.5 | -30.9 | 0 | 0 | 0 | 110.3 | T37 R125 | D35-T37 WeakPolarHBondContact OD1-CB 3.47Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.16Å; D35-T37 PolarHBondContact OD1-OG1 3.5Å; D35-R125 HydrophobicContact CB-CG 4.28Å; D35-R125 IonicContact OD2-CZ 2.78Å; D35-R125 VanDerWaalsContact OD2-CZ 3.27Å; D35-R125 IonicContact OD2-NE 2.65Å; D35-R125 PolarHBondContact OD2-NE 3.05Å; D35-R125 IonicContact OD2-NH2 2.77Å; D35-R125 PolarHBondContact OD2-NH2 2.83Å |
| 36 | Y | 69.5 | Low | 76.2 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | trans | -98.5 | 2.2 | 178.2 | 61.2 | -103.9 | 0 | 0 | 0 | 113.3 | K38 L91 P94 E121 G124 R125 | Y36-K38 PolarHBondContact O-N 2.85Å; Y36-L91 WeakPolarHBondContact O-CD1 3.36Å; Y36-P94 HydrophobicContact CD1-CG 4.35Å; Y36-E121 PolarHBondContact OH-OE1 3.17Å; Y36-G124 VanDerWaalsContact CD1-C 3.44Å; Y36-G124 WeakPolarHBondContact CD1-O 3.5Å; Y36-G124 WeakPolarHBondContact CE1-O 3.49Å; Y36-G124 VanDerWaalsContact CG-O 3.26Å; Y36-G124 PolarHBondContact N-O 2.99Å; Y36-G124 WeakPolarHBondContact OH-CA 3.49Å; Y36-G124 PolarHBondContact OH-N 2.93Å; Y36-R125 VanDerWaalsContact CE1-N 3.25Å | ||
| 37 | T | 60.3 | Low | 77.1 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | trans | -72 | -12.4 | 177.8 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | D35 V39 | D35-T37 WeakPolarHBondContact OD1-CB 3.47Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.16Å; D35-T37 PolarHBondContact OD1-OG1 3.5Å; T37-V39 PolarHBondContact O-N 2.74Å | ||
| 38 | K | 63.3 | Low | 77.4 | Confident | 145 Ų | 145 | 76.3 Ų | 76.3 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | trans | -82.3 | 79.8 | -179.6 | -154.6 | 179.9 | 179 | -179.8 | 0 | 111.3 | Y36 Q40 | Y36-K38 PolarHBondContact O-N 2.85Å; K38-Q40 VanDerWaalsContact CG-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 2.78Å; K38-Q40 PolarHBondContact O-NE2 2.65Å | ||
| 39 | V | 64.1 | Low | 77.4 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | trans | -50.5 | 129.2 | 163.7 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | T37 E41 I85 A89 | T37-V39 PolarHBondContact O-N 2.74Å; V39-E41 HydrophobicContact CG1-CG 4.45Å; V39-I85 HydrophobicContact CB-CD1 4.13Å; V39-I85 HydrophobicContact CG1-CD1 3.68Å; V39-I85 HydrophobicContact CG2-CD1 3.67Å; V39-A89 HydrophobicContact CG1-CB 3.82Å | ||
| 40 | Q | 68.5 | Low | 77.4 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 112.9 | -178.5 | -58.1 | -61.6 | -42.9 | 0 | 0 | 109.5 | K38 R43 V44 V90 | K38-Q40 VanDerWaalsContact CG-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 2.78Å; K38-Q40 PolarHBondContact O-NE2 2.65Å; Q40-R43 HydrophobicContact CB-CB 4.21Å; Q40-R43 HydrophobicContact CG-CB 4.49Å; Q40-V44 VanDerWaalsContact O-CG2 3.22Å; Q40-V44 WeakPolarHBondContact O-CG2 3.32Å; Q40-V90 HydrophobicContact CB-CG2 4.18Å; Q40-V90 PolarHBondContact N-O 3.32Å; Q40-V90 PolarHBondContact O-N 3.33Å; Q40-V90 VanDerWaalsContact O-N 3.13Å |
| 41 | E | 63.4 | Low | 77.1 | Confident | 127 Ų | 127 | 93.7 Ų | 93.7 | 59% | 0.593 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -100 | -27.1 | 173 | -63 | -173.4 | 171.1 | 0 | 0 | 112.3 | V39 A89 | V39-E41 HydrophobicContact CG1-CG 4.45Å; E41-A89 HydrophobicContact CG-CB 4.23Å |
| 42 | E | 66 | Low | 76.9 | Confident | 184 Ų | 184 | 99.9 Ų | 99.9 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -88.9 | -34 | 179.4 | -64 | -178.8 | 170.8 | 0 | 0 | 112.4 | V44 | E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.03Å |
| 43 | R | 74.1 | Confident | 76.6 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 28% | 0.279 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -97.7 | 52.1 | -172.7 | -64.6 | 180 | 57.5 | 177 | 1.1 | 113 | Q40 V60 L61 D62 | Q40-R43 HydrophobicContact CB-CB 4.21Å; Q40-R43 HydrophobicContact CG-CB 4.49Å; R43-V60 HydrophobicContact CB-CB 4.49Å; R43-V60 PolarHBondContact NE-O 3.06Å; R43-V60 PolarHBondContact NH2-O 2.89Å; R43-V60 PolarHBondContact O-N 3.21Å; R43-L61 PolarHBondContact NH2-O 2.88Å; R43-D62 IonicContact CZ-OD1 3.91Å; R43-D62 IonicContact NH1-OD1 3.34Å; R43-D62 PolarHBondContact NH1-OD1 3.01Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.2Å; R43-D62 PolarHBondContact NH2-OD1 3.1Å |
| 44 | V | 82 | Confident | 76.6 | Confident | 7 Ų | 7 | 98.9 Ų | 98.9 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | Q40 E42 W46 A56 V90 | Q40-V44 VanDerWaalsContact O-CG2 3.22Å; Q40-V44 WeakPolarHBondContact O-CG2 3.32Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.03Å; V44-W46 HydrophobicContact CB-CD2 4.47Å; V44-W46 VanDerWaalsContact CB-CE2 3.45Å; V44-W46 HydrophobicContact CB-CH2 4.21Å; V44-W46 HydrophobicContact CB-CZ2 3.23Å; V44-W46 HydrophobicContact CG1-CD2 4.03Å; V44-W46 HydrophobicContact CG1-CE3 4.49Å; V44-W46 HydrophobicContact CG1-CH2 3.64Å; V44-W46 HydrophobicContact CG1-CZ2 3.11Å; V44-W46 HydrophobicContact CG1-CZ3 4.38Å; V44-W46 HydrophobicContact CG2-CZ2 3.72Å; V44-W46 PolarHBondContact O-NE1 2.97Å; V44-W46 VanDerWaalsContact O-NE1 3.11Å; V44-A56 HydrophobicContact CG1-CB 3.37Å; V44-V90 HydrophobicContact CB-CG1 4.38Å; V44-V90 HydrophobicContact CB-CG2 4.4Å; V44-V90 HydrophobicContact CG1-CG1 3.67Å; V44-V90 HydrophobicContact CG2-CB 4.44Å; V44-V90 HydrophobicContact CG2-CG1 4.07Å; V44-V90 HydrophobicContact CG2-CG2 3.8Å |
| 45 | Y | 86.5 | Confident | 76.9 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.1 | 173 | 179.9 | -145.8 | 0 | 0 | 0 | 108.5 | I57 G58 N66 | Y45-I57 HydrophobicContact CD1-CD1 3.85Å; Y45-I57 HydrophobicContact CD1-CG1 3.73Å; Y45-I57 HydrophobicContact CD2-CD1 4.44Å; Y45-I57 HydrophobicContact CE1-CD1 3.58Å; Y45-I57 HydrophobicContact CE1-CG1 4.01Å; Y45-I57 HydrophobicContact CE2-CD1 4.19Å; Y45-I57 HydrophobicContact CG-CD1 4.27Å; Y45-I57 HydrophobicContact CG-CG1 4Å; Y45-I57 WeakPolarHBondContact O-CG1 3.25Å; Y45-I57 PolarHBondContact O-N 2.81Å; Y45-G58 PolarHBondContact N-O 2.71Å; Y45-G58 PolarHBondContact O-N 2.87Å; Y45-N66 HydrophobicContact CD1-CB 3.78Å; Y45-N66 HydrophobicContact CD2-CB 4.18Å; Y45-N66 HydrophobicContact CE1-CB 4.03Å; Y45-N66 HydrophobicContact CE2-CB 4.43Å; Y45-N66 HydrophobicContact CG-CB 3.88Å |
| 46 | W | 85.9 | Confident | 77.4 | Confident | 21 Ų | 21 | 95.8 Ų | 95.8 | 8% | 0.08 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.9 | -169.7 | -68 | 99.6 | 0 | 0 | 0 | 113 | V44 Y48 R53 V55 A56 D87 T88 | V44-W46 HydrophobicContact CB-CD2 4.47Å; V44-W46 VanDerWaalsContact CB-CE2 3.45Å; V44-W46 HydrophobicContact CB-CH2 4.21Å; V44-W46 HydrophobicContact CB-CZ2 3.23Å; V44-W46 HydrophobicContact CG1-CD2 4.03Å; V44-W46 HydrophobicContact CG1-CE3 4.49Å; V44-W46 HydrophobicContact CG1-CH2 3.64Å; V44-W46 HydrophobicContact CG1-CZ2 3.11Å; V44-W46 HydrophobicContact CG1-CZ3 4.38Å; V44-W46 HydrophobicContact CG2-CZ2 3.72Å; V44-W46 PolarHBondContact O-NE1 2.97Å; V44-W46 VanDerWaalsContact O-NE1 3.11Å; W46-Y48 HydrophobicContact CB-CD2 4.1Å; W46-Y48 HydrophobicContact CB-CE2 3.53Å; W46-R53 HydrophobicContact CB-CG 4.23Å; W46-R53 HydrophobicContact CD2-CG 3.4Å; W46-R53 HydrophobicContact CE3-CG 3.28Å; W46-R53 VanDerWaalsContact CE3-NE 3.27Å; W46-R53 HydrophobicContact CG-CG 3.76Å; W46-R53 VanDerWaalsContact CH2-CZ 3.46Å; W46-R53 VanDerWaalsContact CH2-NE 3.29Å; W46-R53 HydrophobicContact CZ3-CG 4Å; W46-R53 VanDerWaalsContact CZ3-NE 3.3Å; W46-V55 VanDerWaalsContact CZ3-C 3.42Å; W46-A56 HydrophobicContact CH2-CB 3.98Å; W46-A56 HydrophobicContact CZ3-CB 4.05Å; W46-D87 WeakPolarHBondContact CZ3-O 3.46Å; W46-T88 WeakPolarHBondContact CH2-O 3.37Å |
| 47 | K | 86.9 | Confident | 78.4 | Confident | 104 Ų | 104 | 95.3 Ų | 95.3 | 45% | 0.452 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.2 | 160.2 | -171.9 | 176.5 | -176.6 | 179 | 0 | 110 | T54 V55 I57 | K47-T54 PolarHBondContact O-N 2.81Å; K47-T54 PolarHBondContact O-OG1 2.03Å; K47-V55 HydrophobicContact CB-CG2 4.15Å; K47-V55 HydrophobicContact CD-CG2 4.37Å; K47-V55 PolarHBondContact N-O 3.38Å; K47-I57 HydrophobicContact CB-CD1 4.26Å; K47-I57 HydrophobicContact CB-CG2 3.74Å |
| 48 | Y | 83.9 | Confident | 79.9 | Confident | 142 Ų | 142 | 91 Ų | 91 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129 | 174.3 | -70.2 | -92 | 0 | 0 | 0 | 111 | W46 E52 R53 | W46-Y48 HydrophobicContact CB-CD2 4.1Å; W46-Y48 HydrophobicContact CB-CE2 3.53Å; Y48-E52 VanDerWaalsContact CA-O 3.3Å; Y48-E52 WeakPolarHBondContact CA-O 3.43Å; Y48-R53 HydrophobicContact CD1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CB 3.92Å |
| 49 | I | 84.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.9 | 172.3 | -59.1 | -179.7 | 0 | 0 | 0 | 106.8 | K51 E52 T54 | I49-K51 PolarHBondContact O-N 2.88Å; I49-K51 VanDerWaalsContact O-N 3.15Å; I49-E52 PolarHBondContact N-O 2.9Å; I49-E52 PolarHBondContact O-N 3.35Å; I49-T54 HydrophobicContact CB-CG2 4.02Å; I49-T54 HydrophobicContact CD1-CG2 4.16Å; I49-T54 HydrophobicContact CG1-CG2 4.06Å |
| 50 | K | 87 | Confident | 82.3 | Confident | 198 Ų | 198 | 82.2 Ų | 82.2 | 86% | 0.861 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37 | -175.8 | -62.1 | 178 | 178.5 | 179.3 | 0 | 113.6 | E52 | K50-E52 PolarHBondContact O-N 3.18Š|
| 51 | K | 79.2 | Confident | 83.1 | Confident | 199 Ų | 199 | 81.3 Ų | 81.3 | 87% | 0.865 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 9.1 | -176.5 | -55.1 | -178.8 | 176.1 | -179.8 | 0 | 115.9 | I49 | I49-K51 PolarHBondContact O-N 2.88Å; I49-K51 VanDerWaalsContact O-N 3.15Å |
| 52 | E | 82.6 | Confident | 83.9 | Confident | 143 Ų | 143 | 82.1 Ų | 82.1 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.4 | 174.3 | -68 | 177.5 | 177.6 | 0 | 0 | 111.3 | Y48 I49 K50 T54 | Y48-E52 VanDerWaalsContact CA-O 3.3Å; Y48-E52 WeakPolarHBondContact CA-O 3.43Å; I49-E52 PolarHBondContact N-O 2.9Å; I49-E52 PolarHBondContact O-N 3.35Å; K50-E52 PolarHBondContact O-N 3.18Å; E52-T54 PolarHBondContact O-N 3.05Å |
| 53 | R | 79.2 | Confident | 84.8 | Confident | 123 Ų | 123 | 76.9 Ų | 76.9 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122.7 | 175 | 171.6 | 177.1 | 157.4 | 177.7 | -4.6 | 108.9 | W46 Y48 | W46-R53 HydrophobicContact CB-CG 4.23Å; W46-R53 HydrophobicContact CD2-CG 3.4Å; W46-R53 HydrophobicContact CE3-CG 3.28Å; W46-R53 VanDerWaalsContact CE3-NE 3.27Å; W46-R53 HydrophobicContact CG-CG 3.76Å; W46-R53 VanDerWaalsContact CH2-CZ 3.46Å; W46-R53 VanDerWaalsContact CH2-NE 3.29Å; W46-R53 HydrophobicContact CZ3-CG 4Å; W46-R53 VanDerWaalsContact CZ3-NE 3.3Å; Y48-R53 HydrophobicContact CD1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CB 3.92Å |
| 54 | T | 85.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 36% | 0.356 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -73.6 | -176.2 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | K47 I49 E52 | K47-T54 PolarHBondContact O-N 2.81Å; K47-T54 PolarHBondContact O-OG1 2.03Å; I49-T54 HydrophobicContact CB-CG2 4.02Å; I49-T54 HydrophobicContact CD1-CG2 4.16Å; I49-T54 HydrophobicContact CG1-CG2 4.06Å; E52-T54 PolarHBondContact O-N 3.05Å |
| 55 | V | 85.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.8 | -176.4 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | W46 K47 I57 | W46-V55 VanDerWaalsContact CZ3-C 3.42Å; K47-V55 HydrophobicContact CB-CG2 4.15Å; K47-V55 HydrophobicContact CD-CG2 4.37Å; K47-V55 PolarHBondContact N-O 3.38Å; V55-I57 HydrophobicContact CG2-CG2 4.36Å |
| 56 | A | 86.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 80 Ų | 80 | 2% | 0.017 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 134.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V44 W46 F69 D87 V90 | V44-A56 HydrophobicContact CG1-CB 3.37Å; W46-A56 HydrophobicContact CH2-CB 3.98Å; W46-A56 HydrophobicContact CZ3-CB 4.05Å; A56-F69 HydrophobicContact CB-CZ 3.83Å; A56-F69 WeakPolarHBondContact O-CE2 3.39Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; A56-D87 PolarHBondContact N-O 2.84Å; A56-V90 HydrophobicContact CB-CG1 3.79Å |
| 57 | I | 90.6 | Very high | 86 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -3.4 | 174.1 | 54.7 | 169.9 | 0 | 0 | 0 | 112.6 | Y45 K47 V55 F69 | Y45-I57 HydrophobicContact CD1-CD1 3.85Å; Y45-I57 HydrophobicContact CD1-CG1 3.73Å; Y45-I57 HydrophobicContact CD2-CD1 4.44Å; Y45-I57 HydrophobicContact CE1-CD1 3.58Å; Y45-I57 HydrophobicContact CE1-CG1 4.01Å; Y45-I57 HydrophobicContact CE2-CD1 4.19Å; Y45-I57 HydrophobicContact CG-CD1 4.27Å; Y45-I57 HydrophobicContact CG-CG1 4Å; Y45-I57 WeakPolarHBondContact O-CG1 3.25Å; Y45-I57 PolarHBondContact O-N 2.81Å; K47-I57 HydrophobicContact CB-CD1 4.26Å; K47-I57 HydrophobicContact CB-CG2 3.74Å; V55-I57 HydrophobicContact CG2-CG2 4.36Å; I57-F69 VanDerWaalsContact CA-CE2 3.4Å; I57-F69 WeakPolarHBondContact O-CD2 3.35Å; I57-F69 PolarHBondContact O-N 2.75Å |
| 58 | G | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -169.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y45 L67 F69 C82 | Y45-G58 PolarHBondContact N-O 2.71Å; Y45-G58 PolarHBondContact O-N 2.87Å; G58-L67 CarbonylContact C-O 3.37Å; G58-L67 WeakPolarHBondContact CA-O 3.42Å; G58-F69 VanDerWaalsContact N-CZ 3.35Å; G58-C82 VanDerWaalsContact C-SG 3.6Å |
| 59 | C | 90.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 153.3 | -177.9 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | N66 L67 C82 V90 L92 | C59-N66 WeakPolarHBondContact O-CA 3.32Å; C59-L67 PolarHBondContact N-O 3.06Å; C59-L67 PolarHBondContact O-N 2.89Å; C59-C82 HydrophobicContact CB-CB 3.83Å; C59-C82 WeakPolarHBondContact CB-SG 3.28Å; C59-C82 PolarHBondContact N-SG 3.01Å; C59-C82 WeakPolarHBondContact SG-CA 3.39Å; C59-C82 WeakPolarHBondContact SG-CB 3.47Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.46Å; C59-V90 HydrophobicContact CB-CG2 4.18Å; C59-L92 HydrophobicContact CB-CD2 3.68Å; C59-L92 HydrophobicContact CB-CG 4.01Å |
| 60 | V | 88.1 | Confident | 87.1 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.2 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | R43 E65 N66 | R43-V60 HydrophobicContact CB-CB 4.49Å; R43-V60 PolarHBondContact NE-O 3.06Å; R43-V60 PolarHBondContact NH2-O 2.89Å; R43-V60 PolarHBondContact O-N 3.21Å; V60-E65 WeakPolarHBondContact CA-O 3.31Å; V60-N66 WeakPolarHBondContact CG2-OD1 3.27Å |
| 61 | L | 84.7 | Confident | 87.5 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | trans | -73.8 | 168.9 | 179.6 | -67.5 | 176.6 | 0 | 0 | 0 | 112.8 | R43 S63 G64 E65 L67 Y73 L92 | R43-L61 PolarHBondContact NH2-O 2.88Å; L61-S63 PolarHBondContact O-N 2.91Å; L61-G64 PolarHBondContact O-N 3.37Å; L61-E65 HydrophobicContact CB-CB 4.41Å; L61-E65 HydrophobicContact CD1-CB 4.12Å; L61-E65 PolarHBondContact N-O 3.48Å; L61-L67 HydrophobicContact CD1-CD1 3.92Å; L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD1-CG 4.02Å; L61-L67 HydrophobicContact CD2-CD1 3.65Å; L61-L67 HydrophobicContact CG-CD1 3.78Å; L61-L67 HydrophobicContact CG-CG 4.11Å; L61-Y73 HydrophobicContact CD1-CD1 3.86Å; L61-Y73 HydrophobicContact CD1-CD2 3.27Å; L61-Y73 HydrophobicContact CD1-CE1 4Å; L61-Y73 HydrophobicContact CD1-CE2 3.42Å; L61-Y73 VanDerWaalsContact CD1-CE2 3.42Å; L61-Y73 HydrophobicContact CD1-CG 3.49Å; L61-Y73 VanDerWaalsContact CD1-CG 3.49Å; L61-Y73 HydrophobicContact CD2-CD1 3.67Å; L61-Y73 HydrophobicContact CD2-CE1 4.1Å; L61-Y73 HydrophobicContact CD2-CG 3.91Å; L61-Y73 HydrophobicContact CG-CD1 4.42Å; L61-Y73 HydrophobicContact CG-CG 4.35Å; L61-L92 HydrophobicContact CD2-CD1 4.02Å; L61-L92 HydrophobicContact CD2-CD2 4.42Å | ||
| 62 | D | 80.3 | Confident | 88.2 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.2 | -179.5 | -73.3 | -34.1 | 0 | 0 | 0 | 111.2 | R43 G64 | R43-D62 IonicContact CZ-OD1 3.91Å; R43-D62 IonicContact NH1-OD1 3.34Å; R43-D62 PolarHBondContact NH1-OD1 3.01Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.2Å; R43-D62 PolarHBondContact NH2-OD1 3.1Å; D62-G64 PolarHBondContact O-N 3.44Å |
| 63 | S | 84.2 | Confident | 88.7 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.2 | 172.9 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | L61 E65 | L61-S63 PolarHBondContact O-N 2.91Å; S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact OG-CB 3.41Å; S63-E65 WeakPolarHBondContact OG-CG 3.39Å; S63-E65 PolarHBondContact OG-N 2.87Å; S63-E65 PolarHBondContact OG-OE2 2.95Å |
| 64 | G | 84.3 | Confident | 89.3 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 83.8 | -0.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L61 D62 | L61-G64 PolarHBondContact O-N 3.37Å; D62-G64 PolarHBondContact O-N 3.44Å |
| 65 | E | 88.2 | Confident | 89.4 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -68.2 | 146.3 | 173.6 | -67.3 | 167.6 | 138.6 | 0 | 0 | 111.1 | V60 L61 S63 | V60-E65 WeakPolarHBondContact CA-O 3.31Å; L61-E65 HydrophobicContact CB-CB 4.41Å; L61-E65 HydrophobicContact CD1-CB 4.12Å; L61-E65 PolarHBondContact N-O 3.48Å; S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact OG-CB 3.41Å; S63-E65 WeakPolarHBondContact OG-CG 3.39Å; S63-E65 PolarHBondContact OG-N 2.87Å; S63-E65 PolarHBondContact OG-OE2 2.95Å | ||
| 66 | N | 91.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.3 | -179.7 | -59.4 | -50.1 | 0 | 0 | 0 | 110.4 | Y45 C59 V60 | Y45-N66 HydrophobicContact CD1-CB 3.78Å; Y45-N66 HydrophobicContact CD2-CB 4.18Å; Y45-N66 HydrophobicContact CE1-CB 4.03Å; Y45-N66 HydrophobicContact CE2-CB 4.43Å; Y45-N66 HydrophobicContact CG-CB 3.88Å; C59-N66 WeakPolarHBondContact O-CA 3.32Å; V60-N66 WeakPolarHBondContact CG2-OD1 3.27Å |
| 67 | L | 91 | Very high | 89.7 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.8 | 171.4 | -66.5 | 169.1 | 0 | 0 | 0 | 109 | G58 C59 L61 E71 Y73 C82 L92 | G58-L67 CarbonylContact C-O 3.37Å; G58-L67 WeakPolarHBondContact CA-O 3.42Å; C59-L67 PolarHBondContact N-O 3.06Å; C59-L67 PolarHBondContact O-N 2.89Å; L61-L67 HydrophobicContact CD1-CD1 3.92Å; L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD1-CG 4.02Å; L61-L67 HydrophobicContact CD2-CD1 3.65Å; L61-L67 HydrophobicContact CG-CD1 3.78Å; L61-L67 HydrophobicContact CG-CG 4.11Å; L67-E71 HydrophobicContact CB-CB 4.45Å; L67-E71 HydrophobicContact CD2-CB 4.27Å; L67-Y73 HydrophobicContact CD1-CG 4.47Å; L67-C82 HydrophobicContact CB-CB 4.01Å; L67-C82 HydrophobicContact CD1-CB 4.48Å; L67-L92 HydrophobicContact CD1-CD2 3.99Å |
| 68 | A | 93.4 | Very high | 89.7 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 159.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | G70 E71 | A68-G70 PolarHBondContact O-N 3.37Å; A68-E71 HydrophobicContact CB-CG 4.03Å; A68-E71 PolarHBondContact N-OE2 2.02Å; A68-E71 WeakPolarHBondContact O-CB 3.32Å; A68-E71 PolarHBondContact O-N 3.37Å; A68-E71 VanDerWaalsContact O-N 3.09Å |
| 69 | F | 92.6 | Very high | 89.8 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136 | 173.8 | -62.2 | -47.9 | 0 | 0 | 0 | 111.8 | A56 I57 G58 E71 K84 V90 | A56-F69 HydrophobicContact CB-CZ 3.83Å; A56-F69 WeakPolarHBondContact O-CE2 3.39Å; I57-F69 VanDerWaalsContact CA-CE2 3.4Å; I57-F69 WeakPolarHBondContact O-CD2 3.35Å; I57-F69 PolarHBondContact O-N 2.75Å; G58-F69 VanDerWaalsContact N-CZ 3.35Å; F69-E71 PolarHBondContact O-N 2.77Å; F69-K84 HydrophobicContact CD1-CB 3.95Å; F69-K84 HydrophobicContact CD2-CB 4.17Å; F69-K84 HydrophobicContact CD2-CD 4.4Å; F69-K84 HydrophobicContact CE1-CB 3.69Å; F69-K84 HydrophobicContact CE1-CG 4.23Å; F69-K84 HydrophobicContact CE2-CB 3.89Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.95Å; F69-K84 HydrophobicContact CG-CB 4.2Å; F69-K84 HydrophobicContact CZ-CB 3.65Å; F69-K84 HydrophobicContact CZ-CD 4.02Å; F69-K84 HydrophobicContact CZ-CG 3.72Å; F69-V90 HydrophobicContact CE1-CB 4.23Å; F69-V90 HydrophobicContact CE1-CG1 3.57Å; F69-V90 HydrophobicContact CZ-CG1 3.84Å |
| 70 | G | 92.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -14 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A68 L81 C82 | A68-G70 PolarHBondContact O-N 3.37Å; G70-L81 WeakPolarHBondContact O-CD1 3.1Å; G70-C82 PolarHBondContact N-O 2.97Å |
| 71 | E | 95.3 | Very high | 90 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | trans | -74.7 | 151.4 | 172.8 | -65.3 | -172.9 | 146.3 | 0 | 0 | 111.3 | L67 A68 F69 C82 | L67-E71 HydrophobicContact CB-CB 4.45Å; L67-E71 HydrophobicContact CD2-CB 4.27Å; A68-E71 HydrophobicContact CB-CG 4.03Å; A68-E71 PolarHBondContact N-OE2 2.02Å; A68-E71 WeakPolarHBondContact O-CB 3.32Å; A68-E71 PolarHBondContact O-N 3.37Å; A68-E71 VanDerWaalsContact O-N 3.09Å; F69-E71 PolarHBondContact O-N 2.77Å; E71-C82 PolarHBondContact O-N 2.76Å | ||
| 72 | T | 93.8 | Very high | 90.3 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154.1 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | V79 L80 L81 I95 | T72-V79 HydrophobicContact CG2-CG1 4.28Å; T72-L80 CarbonylContact C-O 3.55Å; T72-L80 WeakPolarHBondContact CA-O 3.49Å; T72-L80 WeakPolarHBondContact CB-O 3Å; T72-L81 HydrophobicContact CG2-CB 4.47Å; T72-L81 HydrophobicContact CG2-CD1 3.76Å; T72-I95 HydrophobicContact CG2-CD1 4.04Å |
| 73 | Y | 91.6 | Very high | 90.8 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.3 | 176.5 | 177.4 | -103.4 | 0 | 0 | 0 | 111.3 | L61 L67 T75 V79 L80 | L61-Y73 HydrophobicContact CD1-CD1 3.86Å; L61-Y73 HydrophobicContact CD1-CD2 3.27Å; L61-Y73 HydrophobicContact CD1-CE1 4Å; L61-Y73 HydrophobicContact CD1-CE2 3.42Å; L61-Y73 VanDerWaalsContact CD1-CE2 3.42Å; L61-Y73 HydrophobicContact CD1-CG 3.49Å; L61-Y73 VanDerWaalsContact CD1-CG 3.49Å; L61-Y73 HydrophobicContact CD2-CD1 3.67Å; L61-Y73 HydrophobicContact CD2-CE1 4.1Å; L61-Y73 HydrophobicContact CD2-CG 3.91Å; L61-Y73 HydrophobicContact CG-CD1 4.42Å; L61-Y73 HydrophobicContact CG-CG 4.35Å; L67-Y73 HydrophobicContact CD1-CG 4.47Å; Y73-T75 HydrophobicContact CD1-CG2 4.01Å; Y73-T75 HydrophobicContact CE1-CG2 3.97Å; Y73-V79 WeakPolarHBondContact O-CA 3Å; Y73-L80 PolarHBondContact N-O 2.88Å; Y73-L80 PolarHBondContact O-N 3.35Å |
| 74 | R | 92.4 | Very high | 91.1 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.1 | 179.9 | -58.9 | 177.5 | 84.2 | 89.2 | -4.1 | 109.4 | L98 G101 E103 | R74-L98 HydrophobicContact CB-CD1 4.03Å; R74-L98 HydrophobicContact CG-CD1 4.43Å; R74-G101 PolarHBondContact NH2-O 3.49Å; R74-E103 IonicContact CZ-OE1 3.29Å; R74-E103 IonicContact NH1-OE1 3.61Å; R74-E103 PolarHBondContact NH1-OE1 3.35Å; R74-E103 IonicContact NH2-OE1 2.68Å |
| 75 | T | 88 | Confident | 91.3 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | trans | -86.6 | 177.4 | 164.3 | 70.8 | 0 | 0 | 0 | 0 | 109.5 | Y73 F77 F78 L80 L98 | Y73-T75 HydrophobicContact CD1-CG2 4.01Å; Y73-T75 HydrophobicContact CE1-CG2 3.97Å; T75-F77 PolarHBondContact O-N 2.91Å; T75-F77 PolarHBondContact OG1-N 2.89Å; T75-F78 PolarHBondContact N-O 3.17Å; T75-F78 WeakPolarHBondContact OG1-CA 3.45Å; T75-F78 PolarHBondContact OG1-N 2.94Å; T75-F78 PolarHBondContact OG1-O 3.09Å; T75-L80 HydrophobicContact CG2-CD1 3.69Å; T75-L80 HydrophobicContact CG2-CG 3.93Å; T75-L98 WeakPolarHBondContact O-CD1 3.46Å | ||
| 76 | P | 88 | Confident | 91.3 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -59.8 | -22.9 | 172.4 | -27.6 | 37.1 | 0 | 0 | 0 | 114.9 | ||
| 77 | F | 90.1 | Very high | 91 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -129.3 | -11.2 | -170.6 | -56 | -65 | 0 | 0 | 0 | 115.2 | Y32 T75 C97 L98 | Y32-F77 HydrophobicContact CD1-CD2 4.45Å; Y32-F77 HydrophobicContact CD1-CE2 4.12Å; Y32-F77 HydrophobicContact CD1-CZ 4.16Å; Y32-F77 HydrophobicContact CD2-CD1 4.34Å; Y32-F77 HydrophobicContact CD2-CE1 4.23Å; Y32-F77 HydrophobicContact CE1-CE1 4.45Å; Y32-F77 HydrophobicContact CE1-CE2 4.28Å; Y32-F77 AromaticContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE2-CE1 4.17Å; Y32-F77 HydrophobicContact CE2-CZ 4.47Å; Y32-F77 HydrophobicContact CG-CD1 4.41Å; Y32-F77 HydrophobicContact CG-CE1 4.41Å; Y32-F77 HydrophobicContact CG-CG 4.48Å; Y32-F77 HydrophobicContact CG-CZ 4.48Å; T75-F77 PolarHBondContact O-N 2.91Å; T75-F77 PolarHBondContact OG1-N 2.89Å; F77-C97 CarbonylContact O-C 3.52Å; F77-C97 WeakPolarHBondContact O-CA 3.3Å; F77-L98 PolarHBondContact O-N 3.41Å |
| 78 | F | 92.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 148.1 | -173.1 | -54.4 | -77.2 | 0 | 0 | 0 | 112 | Y34 T75 L80 P94 K96 C97 L98 I126 | Y34-F78 HydrophobicContact CD2-CD2 4.22Å; Y34-F78 HydrophobicContact CG-CD2 4.42Å; T75-F78 PolarHBondContact N-O 3.17Å; T75-F78 WeakPolarHBondContact OG1-CA 3.45Å; T75-F78 PolarHBondContact OG1-N 2.94Å; T75-F78 PolarHBondContact OG1-O 3.09Å; F78-L80 HydrophobicContact CB-CD2 4.09Å; F78-P94 HydrophobicContact CB-CB 4.41Å; F78-K96 WeakPolarHBondContact CA-O 3.45Å; F78-C97 HydrophobicContact CD1-CB 4.41Å; F78-L98 WeakPolarHBondContact O-CD1 3.41Å; F78-I126 HydrophobicContact CD1-CG2 3.93Å; F78-I126 HydrophobicContact CE1-CG2 3.97Å |
| 79 | V | 92.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.9 | 163 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | T72 Y73 P94 I95 K96 L98 E103 | T72-V79 HydrophobicContact CG2-CG1 4.28Å; Y73-V79 WeakPolarHBondContact O-CA 3Å; V79-P94 CarbonylContact O-C 3.58Å; V79-P94 WeakPolarHBondContact O-CA 3.45Å; V79-I95 HydrophobicContact CB-CG1 4.2Å; V79-I95 HydrophobicContact CG1-CD1 4.1Å; V79-I95 HydrophobicContact CG1-CG1 4.06Å; V79-I95 WeakPolarHBondContact O-CG1 3.36Å; V79-I95 PolarHBondContact O-N 2.83Å; V79-K96 HydrophobicContact CB-CB 4.2Å; V79-K96 HydrophobicContact CG2-CB 4.26Å; V79-K96 PolarHBondContact N-O 2.85Å; V79-L98 HydrophobicContact CG2-CD1 3.91Å; V79-L98 HydrophobicContact CG2-CD2 3.82Å; V79-L98 HydrophobicContact CG2-CG 3.84Å; V79-E103 HydrophobicContact CG2-CG 3.96Å |
| 80 | L | 90.1 | Very high | 90 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.3 | 177.7 | -51.4 | -176.8 | 0 | 0 | 0 | 109.5 | Y34 T72 Y73 T75 F78 L92 R93 P94 | Y34-L80 HydrophobicContact CD1-CD2 4.32Å; Y34-L80 HydrophobicContact CD2-CD2 4.22Å; Y34-L80 HydrophobicContact CE1-CD2 4.04Å; Y34-L80 HydrophobicContact CE2-CD1 3.98Å; Y34-L80 HydrophobicContact CE2-CD2 3.95Å; Y34-L80 HydrophobicContact CG-CD2 4.39Å; T72-L80 CarbonylContact C-O 3.55Å; T72-L80 WeakPolarHBondContact CA-O 3.49Å; T72-L80 WeakPolarHBondContact CB-O 3Å; Y73-L80 PolarHBondContact N-O 2.88Å; Y73-L80 PolarHBondContact O-N 3.35Å; T75-L80 HydrophobicContact CG2-CD1 3.69Å; T75-L80 HydrophobicContact CG2-CG 3.93Å; F78-L80 HydrophobicContact CB-CD2 4.09Å; L80-L92 HydrophobicContact CB-CD2 4.49Å; L80-L92 HydrophobicContact CD1-CB 4.41Å; L80-R93 CarbonylContact C-O 3.57Å; L80-R93 WeakPolarHBondContact CA-O 3.41Å; L80-P94 HydrophobicContact CD2-CB 3.59Å |
| 81 | L | 92.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.7 | 172.4 | 178.4 | 66.8 | 0 | 0 | 0 | 108.6 | G70 T72 E83 L92 R93 I95 | G70-L81 WeakPolarHBondContact O-CD1 3.1Å; T72-L81 HydrophobicContact CG2-CB 4.47Å; T72-L81 HydrophobicContact CG2-CD1 3.76Å; L81-E83 HydrophobicContact CD2-CG 3.83Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.45Å; L81-E83 HydrophobicContact CG-CG 3.82Å; L81-L92 WeakPolarHBondContact O-CA 2.98Å; L81-R93 PolarHBondContact N-O 2.9Å; L81-R93 PolarHBondContact O-N 3.05Å; L81-I95 HydrophobicContact CB-CD1 4.26Å; L81-I95 HydrophobicContact CB-CG1 4.4Å; L81-I95 HydrophobicContact CB-CG2 3.7Å; L81-I95 HydrophobicContact CD2-CG2 4.02Å |
| 82 | C | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 118.6 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | G58 C59 L67 G70 E71 L92 | G58-C82 VanDerWaalsContact C-SG 3.6Å; C59-C82 HydrophobicContact CB-CB 3.83Å; C59-C82 WeakPolarHBondContact CB-SG 3.28Å; C59-C82 PolarHBondContact N-SG 3.01Å; C59-C82 WeakPolarHBondContact SG-CA 3.39Å; C59-C82 WeakPolarHBondContact SG-CB 3.47Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.46Å; L67-C82 HydrophobicContact CB-CB 4.01Å; L67-C82 HydrophobicContact CD1-CB 4.48Å; G70-C82 PolarHBondContact N-O 2.97Å; E71-C82 PolarHBondContact O-N 2.76Å; C82-L92 HydrophobicContact CB-CD2 4.21Å |
| 83 | E | 90.9 | Very high | 89 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.2 | -176.5 | -63.4 | -174.2 | 127.9 | 0 | 0 | 111.9 | L81 V90 L91 R93 | L81-E83 HydrophobicContact CD2-CG 3.83Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.45Å; L81-E83 HydrophobicContact CG-CG 3.82Å; E83-V90 CarbonylContact O-C 3.45Å; E83-V90 WeakPolarHBondContact O-CA 3.44Å; E83-V90 WeakPolarHBondContact O-CB 3.4Å; E83-L91 PolarHBondContact N-O 2.77Å; E83-L91 PolarHBondContact O-N 2.78Å; E83-R93 VanDerWaalsContact CD-NE 3.32Å; E83-R93 IonicContact OE1-CZ 3.7Å; E83-R93 IonicContact OE1-NE 3.84Å; E83-R93 PolarHBondContact OE1-NE 2.05Å; E83-R93 IonicContact OE1-NH2 2.58Å; E83-R93 PolarHBondContact OE1-NH2 3.3Å; E83-R93 WeakPolarHBondContact OE2-CB 3.48Å; E83-R93 VanDerWaalsContact OE2-CD 3.23Å; E83-R93 WeakPolarHBondContact OE2-CD 3.31Å; E83-R93 IonicContact OE2-CZ 2.69Å; E83-R93 IonicContact OE2-NE 2.73Å; E83-R93 PolarHBondContact OE2-NE 2.85Å; E83-R93 IonicContact OE2-NH2 3.72Å |
| 84 | K | 91 | Very high | 88.9 | Confident | 94 Ų | 94 | 46.4 Ų | 46.4 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.6 | 172.5 | -170.3 | 177.1 | -179.6 | 178.9 | 0 | 109.1 | F69 N86 D87 | F69-K84 HydrophobicContact CD1-CB 3.95Å; F69-K84 HydrophobicContact CD2-CB 4.17Å; F69-K84 HydrophobicContact CD2-CD 4.4Å; F69-K84 HydrophobicContact CE1-CB 3.69Å; F69-K84 HydrophobicContact CE1-CG 4.23Å; F69-K84 HydrophobicContact CE2-CB 3.89Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.95Å; F69-K84 HydrophobicContact CG-CB 4.2Å; F69-K84 HydrophobicContact CZ-CB 3.65Å; F69-K84 HydrophobicContact CZ-CD 4.02Å; F69-K84 HydrophobicContact CZ-CG 3.72Å; K84-N86 VanDerWaalsContact CE-C 3.5Å; K84-N86 WeakPolarHBondContact CE-O 3.45Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.47Å; K84-D87 VanDerWaalsContact CE-OD1 3.29Å; K84-D87 WeakPolarHBondContact CE-OD1 3.45Å; K84-D87 IonicContact NZ-OD1 2.68Å; K84-D87 PolarHBondContact NZ-OD1 2.84Å |
| 85 | I | 88.3 | Confident | 88.8 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -84.7 | -53 | 169.2 | -68.2 | 170.6 | 0 | 0 | 0 | 109 | V39 A89 L91 | V39-I85 HydrophobicContact CB-CD1 4.13Å; V39-I85 HydrophobicContact CG1-CD1 3.68Å; V39-I85 HydrophobicContact CG2-CD1 3.67Å; I85-A89 HydrophobicContact CB-CB 4.38Å; I85-A89 PolarHBondContact N-O 2.8Å; I85-L91 HydrophobicContact CD1-CB 3.72Å; I85-L91 HydrophobicContact CG1-CB 3.96Å |
| 86 | N | 87.5 | Confident | 89.1 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -152.2 | -169.2 | 176.9 | 61.4 | 39.8 | 0 | 0 | 0 | 109.2 | K84 T88 A89 | K84-N86 VanDerWaalsContact CE-C 3.5Å; K84-N86 WeakPolarHBondContact CE-O 3.45Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.47Å; N86-T88 PolarHBondContact O-N 2.83Å; N86-T88 WeakPolarHBondContact OD1-CA 3.22Å; N86-T88 PolarHBondContact OD1-N 3.39Å; N86-T88 PolarHBondContact OD1-OG1 3.26Å; N86-A89 PolarHBondContact N-O 2.89Å; N86-A89 WeakPolarHBondContact OD1-CB 3.47Å; N86-A89 PolarHBondContact OD1-N 3.32Å |
| 87 | D | 85.9 | Confident | 89.4 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 49% | 0.492 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -67.4 | -21.6 | -178.3 | -68.6 | -31.2 | 0 | 0 | 0 | 113.9 | W46 A56 K84 | W46-D87 WeakPolarHBondContact CZ3-O 3.46Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; A56-D87 PolarHBondContact N-O 2.84Å; K84-D87 VanDerWaalsContact CE-OD1 3.29Å; K84-D87 WeakPolarHBondContact CE-OD1 3.45Å; K84-D87 IonicContact NZ-OD1 2.68Å; K84-D87 PolarHBondContact NZ-OD1 2.84Å |
| 88 | T | 83.3 | Confident | 89.6 | Confident | 76 Ų | 76 | 35.1 Ų | 35.1 | 47% | 0.466 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -107.8 | -16.6 | -175.5 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | W46 N86 | W46-T88 WeakPolarHBondContact CH2-O 3.37Å; N86-T88 PolarHBondContact O-N 2.83Å; N86-T88 WeakPolarHBondContact OD1-CA 3.22Å; N86-T88 PolarHBondContact OD1-N 3.39Å; N86-T88 PolarHBondContact OD1-OG1 3.26Å |
| 89 | A | 85.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | trans | -134.9 | 144.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V39 E41 I85 N86 | V39-A89 HydrophobicContact CG1-CB 3.82Å; E41-A89 HydrophobicContact CG-CB 4.23Å; I85-A89 HydrophobicContact CB-CB 4.38Å; I85-A89 PolarHBondContact N-O 2.8Å; N86-A89 PolarHBondContact N-O 2.89Å; N86-A89 WeakPolarHBondContact OD1-CB 3.47Å; N86-A89 PolarHBondContact OD1-N 3.32Å | ||
| 90 | V | 87.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 164.6 | -179.7 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | Q40 V44 A56 C59 F69 E83 | Q40-V90 HydrophobicContact CB-CG2 4.18Å; Q40-V90 PolarHBondContact N-O 3.32Å; Q40-V90 PolarHBondContact O-N 3.33Å; Q40-V90 VanDerWaalsContact O-N 3.13Å; V44-V90 HydrophobicContact CB-CG1 4.38Å; V44-V90 HydrophobicContact CB-CG2 4.4Å; V44-V90 HydrophobicContact CG1-CG1 3.67Å; V44-V90 HydrophobicContact CG2-CB 4.44Å; V44-V90 HydrophobicContact CG2-CG1 4.07Å; V44-V90 HydrophobicContact CG2-CG2 3.8Å; A56-V90 HydrophobicContact CB-CG1 3.79Å; C59-V90 HydrophobicContact CB-CG2 4.18Å; F69-V90 HydrophobicContact CE1-CB 4.23Å; F69-V90 HydrophobicContact CE1-CG1 3.57Å; F69-V90 HydrophobicContact CZ-CG1 3.84Å; E83-V90 CarbonylContact O-C 3.45Å; E83-V90 WeakPolarHBondContact O-CA 3.44Å; E83-V90 WeakPolarHBondContact O-CB 3.4Å |
| 91 | L | 86.7 | Confident | 89.2 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133 | 177.8 | -175.8 | 61.3 | 0 | 0 | 0 | 110.7 | Y36 E83 I85 R93 | Y36-L91 WeakPolarHBondContact O-CD1 3.36Å; E83-L91 PolarHBondContact N-O 2.77Å; E83-L91 PolarHBondContact O-N 2.78Å; I85-L91 HydrophobicContact CD1-CB 3.72Å; I85-L91 HydrophobicContact CG1-CB 3.96Å; L91-R93 HydrophobicContact CD2-CB 4.17Å; L91-R93 HydrophobicContact CG-CB 4.27Å; L91-R93 PolarHBondContact O-N 2.94Å |
| 92 | L | 86.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 95.1 | 162.4 | -73.4 | 171 | 0 | 0 | 0 | 107.8 | C59 L61 L67 L80 L81 C82 | C59-L92 HydrophobicContact CB-CD2 3.68Å; C59-L92 HydrophobicContact CB-CG 4.01Å; L61-L92 HydrophobicContact CD2-CD1 4.02Å; L61-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CD1-CD2 3.99Å; L80-L92 HydrophobicContact CB-CD2 4.49Å; L80-L92 HydrophobicContact CD1-CB 4.41Å; L81-L92 WeakPolarHBondContact O-CA 2.98Å; C82-L92 HydrophobicContact CB-CD2 4.21Å |
| 93 | R | 87.7 | Confident | 89.4 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.7 | -178.7 | -174.6 | 170.7 | 63.3 | 157.1 | -0.8 | 109.7 | L80 L81 E83 L91 I95 | L80-R93 CarbonylContact C-O 3.57Å; L80-R93 WeakPolarHBondContact CA-O 3.41Å; L81-R93 PolarHBondContact N-O 2.9Å; L81-R93 PolarHBondContact O-N 3.05Å; E83-R93 VanDerWaalsContact CD-NE 3.32Å; E83-R93 IonicContact OE1-CZ 3.7Å; E83-R93 IonicContact OE1-NE 3.84Å; E83-R93 PolarHBondContact OE1-NE 2.05Å; E83-R93 IonicContact OE1-NH2 2.58Å; E83-R93 PolarHBondContact OE1-NH2 3.3Å; E83-R93 WeakPolarHBondContact OE2-CB 3.48Å; E83-R93 VanDerWaalsContact OE2-CD 3.23Å; E83-R93 WeakPolarHBondContact OE2-CD 3.31Å; E83-R93 IonicContact OE2-CZ 2.69Å; E83-R93 IonicContact OE2-NE 2.73Å; E83-R93 PolarHBondContact OE2-NE 2.85Å; E83-R93 IonicContact OE2-NH2 3.72Å; L91-R93 HydrophobicContact CD2-CB 4.17Å; L91-R93 HydrophobicContact CG-CB 4.27Å; L91-R93 PolarHBondContact O-N 2.94Å; R93-I95 PolarHBondContact O-N 2.84Å |
| 94 | P | 88.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123 | 173.2 | 36.2 | -39.1 | 0 | 0 | 0 | 109.5 | Y34 Y36 F78 V79 L80 I126 | Y34-P94 HydrophobicContact CD1-CB 4.01Å; Y34-P94 HydrophobicContact CD1-CG 3.6Å; Y34-P94 HydrophobicContact CE1-CG 4.3Å; Y34-P94 HydrophobicContact CG-CB 4.32Å; Y34-P94 HydrophobicContact CG-CG 4.25Å; Y36-P94 HydrophobicContact CD1-CG 4.35Å; F78-P94 HydrophobicContact CB-CB 4.41Å; V79-P94 CarbonylContact O-C 3.58Å; V79-P94 WeakPolarHBondContact O-CA 3.45Å; L80-P94 HydrophobicContact CD2-CB 3.59Å; P94-I126 HydrophobicContact CB-CG2 3.39Å; P94-I126 HydrophobicContact CG-CB 4.21Å; P94-I126 HydrophobicContact CG-CG2 3.17Å |
| 95 | I | 90.8 | Very high | 89.7 | Confident | 44 Ų | 44 | 53 Ų | 53 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -27 | -175.4 | 54.8 | 165.3 | 0 | 0 | 0 | 112.5 | T72 V79 L81 R93 K106 | T72-I95 HydrophobicContact CG2-CD1 4.04Å; V79-I95 HydrophobicContact CB-CG1 4.2Å; V79-I95 HydrophobicContact CG1-CD1 4.1Å; V79-I95 HydrophobicContact CG1-CG1 4.06Å; V79-I95 WeakPolarHBondContact O-CG1 3.36Å; V79-I95 PolarHBondContact O-N 2.83Å; L81-I95 HydrophobicContact CB-CD1 4.26Å; L81-I95 HydrophobicContact CB-CG1 4.4Å; L81-I95 HydrophobicContact CB-CG2 3.7Å; L81-I95 HydrophobicContact CD2-CG2 4.02Å; R93-I95 PolarHBondContact O-N 2.84Å; I95-K106 WeakPolarHBondContact O-CE 3.23Å |
| 96 | K | 93.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 19% | 0.191 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.4 | -179.2 | -61.4 | -172.9 | -172.8 | -169.6 | 0 | 110.6 | F78 V79 E103 M104 E105 | F78-K96 WeakPolarHBondContact CA-O 3.45Å; V79-K96 HydrophobicContact CB-CB 4.2Å; V79-K96 HydrophobicContact CG2-CB 4.26Å; V79-K96 PolarHBondContact N-O 2.85Å; K96-E103 HydrophobicContact CD-CB 4.13Å; K96-E103 HydrophobicContact CD-CG 4.31Å; K96-E103 VanDerWaalsContact CD-OE2 3.22Å; K96-E103 WeakPolarHBondContact CD-OE2 3.45Å; K96-E103 WeakPolarHBondContact CE-OE2 3.32Å; K96-E103 IonicContact NZ-OE2 3.14Å; K96-E103 PolarHBondContact NZ-OE2 2.82Å; K96-M104 WeakPolarHBondContact CB-O 3.05Å; K96-E105 WeakPolarHBondContact CE-OE1 3.28Å; K96-E105 IonicContact NZ-OE1 2.63Å; K96-E105 PolarHBondContact NZ-OE1 3.02Å |
| 97 | C | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 159.3 | 166.3 | -52.9 | 0 | 0 | 0 | 0 | 110 | F77 F78 M104 C119 L128 | F77-C97 CarbonylContact O-C 3.52Å; F77-C97 WeakPolarHBondContact O-CA 3.3Å; F78-C97 HydrophobicContact CD1-CB 4.41Å; C97-M104 HydrophobicContact CB-CB 4.19Å; C97-M104 PolarHBondContact N-O 3.4Å; C97-M104 VanDerWaalsContact N-O 3.11Å; C97-M104 PolarHBondContact O-N 3.07Å; C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.32Å; C97-C119 PolarHBondContact N-SG 2.82Å; C97-C119 WeakPolarHBondContact SG-CA 3.44Å; C97-C119 WeakPolarHBondContact SG-CB 3.48Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.15Å; C97-L128 HydrophobicContact CB-CB 4.47Å; C97-L128 HydrophobicContact CB-CD1 4.02Å |
| 98 | L | 94 | Very high | 90.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.2 | 171.8 | -69.3 | 168.9 | 0 | 0 | 0 | 108.9 | R74 T75 F77 F78 V79 E102 E103 | R74-L98 HydrophobicContact CB-CD1 4.03Å; R74-L98 HydrophobicContact CG-CD1 4.43Å; T75-L98 WeakPolarHBondContact O-CD1 3.46Å; F77-L98 PolarHBondContact O-N 3.41Å; F78-L98 WeakPolarHBondContact O-CD1 3.41Å; V79-L98 HydrophobicContact CG2-CD1 3.91Å; V79-L98 HydrophobicContact CG2-CD2 3.82Å; V79-L98 HydrophobicContact CG2-CG 3.84Å; L98-E102 VanDerWaalsContact CA-O 3.29Å; L98-E102 WeakPolarHBondContact CA-O 3.48Å; L98-E103 HydrophobicContact CD2-CB 4.35Å; L98-E103 HydrophobicContact CD2-CG 3.62Å |
| 99 | M | 90.9 | Very high | 91 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119 | 173.9 | -175.6 | 58 | 161.1 | 0 | 0 | 109.5 | G101 E102 M104 V110 T112 Y117 L128 | M99-G101 PolarHBondContact O-N 2.75Å; M99-G101 VanDerWaalsContact O-N 3.13Å; M99-E102 PolarHBondContact N-O 3.44Å; M99-E102 PolarHBondContact O-N 2.92Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CB-SD 3.44Å; M99-M104 WeakPolarHBondContact CB-SD 3.15Å; M99-M104 HydrophobicContact CG-SD 4.38Å; M99-V110 HydrophobicContact CB-CG1 4.12Å; M99-V110 HydrophobicContact CG-CG1 3.73Å; M99-T112 HydrophobicContact CE-CG2 3.53Å; M99-Y117 HydrophobicContact CE-CD1 3.9Å; M99-Y117 HydrophobicContact CE-CD2 3.26Å; M99-Y117 HydrophobicContact CE-CE1 3.89Å; M99-Y117 HydrophobicContact CE-CE2 3.25Å; M99-Y117 HydrophobicContact CE-CG 3.54Å; M99-Y117 HydrophobicContact SD-CG 4.44Å; M99-L128 HydrophobicContact CB-CD1 4.46Å; M99-L128 HydrophobicContact CB-CD2 4.48Å; M99-L128 HydrophobicContact SD-CD2 3.72Å |
| 100 | N | 87.4 | Confident | 91.5 | Very high | 148 Ų | 148 | 51.8 Ų | 51.8 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 34.9 | -173 | -59.2 | -30.9 | 0 | 0 | 0 | 113.2 | E102 | N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.02Å |
| 101 | G | 87.9 | Confident | 91.8 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R74 M99 | R74-G101 PolarHBondContact NH2-O 3.49Å; M99-G101 PolarHBondContact O-N 2.75Å; M99-G101 VanDerWaalsContact O-N 3.13Å |
| 102 | E | 93.4 | Very high | 92 | Very high | 142 Ų | 142 | 56.5 Ų | 56.5 | 66% | 0.664 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139.6 | 177.8 | -65.7 | -175.9 | 168.5 | 0 | 0 | 111.8 | L98 M99 N100 | L98-E102 VanDerWaalsContact CA-O 3.29Å; L98-E102 WeakPolarHBondContact CA-O 3.48Å; M99-E102 PolarHBondContact N-O 3.44Å; M99-E102 PolarHBondContact O-N 2.92Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.02Å |
| 103 | E | 94.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.4 | 178 | -74.6 | 179.8 | -151.5 | 0 | 0 | 112.3 | R74 V79 K96 L98 | R74-E103 IonicContact CZ-OE1 3.29Å; R74-E103 IonicContact NH1-OE1 3.61Å; R74-E103 PolarHBondContact NH1-OE1 3.35Å; R74-E103 IonicContact NH2-OE1 2.68Å; V79-E103 HydrophobicContact CG2-CG 3.96Å; K96-E103 HydrophobicContact CD-CB 4.13Å; K96-E103 HydrophobicContact CD-CG 4.31Å; K96-E103 VanDerWaalsContact CD-OE2 3.22Å; K96-E103 WeakPolarHBondContact CD-OE2 3.45Å; K96-E103 WeakPolarHBondContact CE-OE2 3.32Å; K96-E103 IonicContact NZ-OE2 3.14Å; K96-E103 PolarHBondContact NZ-OE2 2.82Å; L98-E103 HydrophobicContact CD2-CB 4.35Å; L98-E103 HydrophobicContact CD2-CG 3.62Å |
| 104 | M | 94.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.1 | 176.2 | -67 | -179.1 | 70 | 0 | 0 | 109.8 | K96 C97 M99 V110 C119 L128 | K96-M104 WeakPolarHBondContact CB-O 3.05Å; C97-M104 HydrophobicContact CB-CB 4.19Å; C97-M104 PolarHBondContact N-O 3.4Å; C97-M104 VanDerWaalsContact N-O 3.11Å; C97-M104 PolarHBondContact O-N 3.07Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CB-SD 3.44Å; M99-M104 WeakPolarHBondContact CB-SD 3.15Å; M99-M104 HydrophobicContact CG-SD 4.38Å; M104-V110 HydrophobicContact CE-CB 4Å; M104-V110 HydrophobicContact CE-CG1 3.68Å; M104-V110 HydrophobicContact SD-CB 4.38Å; M104-V110 HydrophobicContact SD-CG1 3.73Å; M104-C119 HydrophobicContact CB-CB 4.2Å; M104-L128 HydrophobicContact CE-CD1 4.33Å; M104-L128 HydrophobicContact SD-CD1 3.72Å |
| 105 | E | 94.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | trans | -65.3 | 151.9 | 171.3 | -62.7 | -56.6 | 151.8 | 0 | 0 | 110.9 | K96 G107 S108 | K96-E105 WeakPolarHBondContact CE-OE1 3.28Å; K96-E105 IonicContact NZ-OE1 2.63Å; K96-E105 PolarHBondContact NZ-OE1 3.02Å; E105-G107 PolarHBondContact O-N 3.08Å; E105-S108 PolarHBondContact N-OG 2.83Å; E105-S108 WeakPolarHBondContact O-CB 3.46Å; E105-S108 PolarHBondContact O-N 3.1Å; E105-S108 PolarHBondContact O-OG 2.58Å | ||
| 106 | K | 90.4 | Very high | 93 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.2 | 174 | -59.9 | -176.3 | -179 | -169.1 | 0 | 110.3 | I95 S108 E121 I126 | I95-K106 WeakPolarHBondContact O-CE 3.23Å; K106-S108 PolarHBondContact O-N 3.28Å; K106-E121 WeakPolarHBondContact CD-OE2 3.39Å; K106-E121 WeakPolarHBondContact CE-OE2 3.2Å; K106-E121 IonicContact NZ-OE2 3.69Å; K106-E121 PolarHBondContact NZ-OE2 2.88Å; K106-I126 HydrophobicContact CD-CD1 4.35Å; K106-I126 HydrophobicContact CG-CD1 3.98Å |
| 107 | G | 91.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -13.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E105 C119 | E105-G107 PolarHBondContact O-N 3.08Å; G107-C119 WeakPolarHBondContact CA-O 3.28Å; G107-C119 PolarHBondContact N-O 2.89Å |
| 108 | S | 95.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | trans | -72.8 | 158.8 | 176.7 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | E105 K106 S118 C119 | E105-S108 PolarHBondContact N-OG 2.83Å; E105-S108 WeakPolarHBondContact O-CB 3.46Å; E105-S108 PolarHBondContact O-N 3.1Å; E105-S108 PolarHBondContact O-OG 2.58Å; K106-S108 PolarHBondContact O-N 3.28Å; S108-S118 WeakPolarHBondContact O-CA 3.06Å; S108-C119 PolarHBondContact O-N 2.8Å | ||
| 109 | S | 95.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.5 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | Y117 S118 | S109-Y117 CarbonylContact C-O 3.58Å; S109-Y117 WeakPolarHBondContact CA-O 3.23Å; S109-Y117 WeakPolarHBondContact CB-O 3.31Å; S109-S118 WeakPolarHBondContact OG-CB 3.03Å; S109-S118 PolarHBondContact OG-OG 3.09Å |
| 110 | V | 94.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.7 | 174.8 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | M99 M104 Y117 | M99-V110 HydrophobicContact CB-CG1 4.12Å; M99-V110 HydrophobicContact CG-CG1 3.73Å; M104-V110 HydrophobicContact CE-CB 4Å; M104-V110 HydrophobicContact CE-CG1 3.68Å; M104-V110 HydrophobicContact SD-CB 4.38Å; M104-V110 HydrophobicContact SD-CG1 3.73Å; V110-Y117 PolarHBondContact N-O 2.85Å; V110-Y117 PolarHBondContact O-N 2.85Å |
| 111 | I | 94 | Very high | 93.4 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 45% | 0.451 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.4 | 179.1 | -59.5 | 168.7 | 0 | 0 | 0 | 107.6 | V116 V134 L140 | I111-V116 HydrophobicContact CG1-CG2 4.4Å; I111-V134 HydrophobicContact CG2-CG1 4.26Å; I111-V134 HydrophobicContact CG2-CG2 3.78Å; I111-L140 HydrophobicContact CD1-CD1 3.97Å; I111-L140 HydrophobicContact CD1-CD2 4.09Å; I111-L140 HydrophobicContact CG1-CD2 4.29Å; I111-L140 HydrophobicContact CG2-CD2 4.12Å |
| 112 | T | 91.7 | Very high | 93.2 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | trans | -91.6 | -174.2 | 170.6 | 69 | 0 | 0 | 0 | 0 | 110.4 | M99 S114 F115 Y117 | M99-T112 HydrophobicContact CE-CG2 3.53Å; T112-S114 PolarHBondContact O-N 3.03Å; T112-S114 PolarHBondContact OG1-N 2.79Å; T112-F115 PolarHBondContact N-O 2.86Å; T112-F115 PolarHBondContact OG1-N 3.03Å; T112-F115 PolarHBondContact OG1-O 3.43Å; T112-Y117 HydrophobicContact CG2-CD2 3.69Å; T112-Y117 HydrophobicContact CG2-CE2 3.8Å | ||
| 113 | K | 90.4 | Very high | 92.5 | Very high | 155 Ų | 155 | 62.8 Ų | 62.8 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -58 | -29.9 | 174.6 | -172.6 | 179.6 | -178.3 | 178 | 0 | 113.6 | ||
| 114 | S | 91.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -129.9 | -28.1 | -165.3 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | E27 T112 V134 H165 | E27-S114 WeakPolarHBondContact OE2-CB 3.44Å; E27-S114 PolarHBondContact OE2-OG 2.83Å; T112-S114 PolarHBondContact O-N 3.03Å; T112-S114 PolarHBondContact OG1-N 2.79Å; S114-V134 PolarHBondContact O-N 2.96Å; S114-H165 PolarHBondContact O-CE1 3.13Å; S114-H165 PolarHBondContact O-NE2 3.02Å |
| 115 | F | 95.7 | Very high | 91.1 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.1 | -172.4 | -61.1 | -75.9 | 0 | 0 | 0 | 111.4 | E27 T112 Y117 I130 G132 V163 H165 | E27-F115 HydrophobicContact CB-CE2 4.44Å; E27-F115 HydrophobicContact CB-CZ 4.31Å; T112-F115 PolarHBondContact N-O 2.86Å; T112-F115 PolarHBondContact OG1-N 3.03Å; T112-F115 PolarHBondContact OG1-O 3.43Å; F115-Y117 HydrophobicContact CB-CD2 4.04Å; F115-Y117 HydrophobicContact CB-CE2 3.64Å; F115-I130 HydrophobicContact CB-CG1 4.5Å; F115-I130 HydrophobicContact CB-CG2 3.9Å; F115-I130 HydrophobicContact CD1-CD1 4.49Å; F115-I130 HydrophobicContact CD1-CG2 3.69Å; F115-I130 HydrophobicContact CG-CD1 4.47Å; F115-I130 HydrophobicContact CG-CG2 4.11Å; F115-G132 WeakPolarHBondContact CA-O 3.46Å; F115-V163 HydrophobicContact CD1-CB 4.48Å; F115-V163 HydrophobicContact CD1-CG1 4.17Å; F115-V163 HydrophobicContact CE1-CB 4.24Å; F115-V163 HydrophobicContact CE1-CG1 3.98Å; F115-V163 WeakPolarHBondContact CE1-O 3.14Å; F115-V163 WeakPolarHBondContact CZ-O 3.44Å; F115-H165 AromaticContact CD1-NE2 3.76Å; F115-H165 AromaticContact CE1-CD2 3.43Å; F115-H165 VanDerWaalsContact CE1-CD2 3.43Å; F115-H165 WeakPolarHBondContact CE1-CD2 3.24Å; F115-H165 AromaticContact CE1-NE2 3.36Å; F115-H165 WeakPolarHBondContact CE1-NE2 3.4Å; F115-H165 AromaticContact CZ-CD2 3.71Å; F115-H165 AromaticContact CZ-NE2 3.65Å |
| 116 | V | 96.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.3 | 166.6 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | I111 I130 T131 G132 V134 L140 | I111-V116 HydrophobicContact CG1-CG2 4.4Å; V116-I130 CarbonylContact O-C 3.57Å; V116-I130 WeakPolarHBondContact O-CA 2.93Å; V116-T131 PolarHBondContact O-N 2.88Å; V116-T131 PolarHBondContact O-OG1 3.17Å; V116-G132 PolarHBondContact N-O 2.69Å; V116-V134 HydrophobicContact CG2-CG2 3.99Å; V116-L140 HydrophobicContact CG2-CD1 4.41Å; V116-L140 HydrophobicContact CG2-CD2 3.73Å |
| 117 | Y | 95.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.6 | 174.6 | -71.8 | -99.2 | 0 | 0 | 0 | 109.1 | S29 M99 S109 V110 T112 F115 L128 V129 I130 | S29-Y117 PolarHBondContact OG-OH 2.78Å; M99-Y117 HydrophobicContact CE-CD1 3.9Å; M99-Y117 HydrophobicContact CE-CD2 3.26Å; M99-Y117 HydrophobicContact CE-CE1 3.89Å; M99-Y117 HydrophobicContact CE-CE2 3.25Å; M99-Y117 HydrophobicContact CE-CG 3.54Å; M99-Y117 HydrophobicContact SD-CG 4.44Å; S109-Y117 CarbonylContact C-O 3.58Å; S109-Y117 WeakPolarHBondContact CA-O 3.23Å; S109-Y117 WeakPolarHBondContact CB-O 3.31Å; V110-Y117 PolarHBondContact N-O 2.85Å; V110-Y117 PolarHBondContact O-N 2.85Å; T112-Y117 HydrophobicContact CG2-CD2 3.69Å; T112-Y117 HydrophobicContact CG2-CE2 3.8Å; F115-Y117 HydrophobicContact CB-CD2 4.04Å; F115-Y117 HydrophobicContact CB-CE2 3.64Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CD1-CD2 4.15Å; Y117-L128 HydrophobicContact CD1-CG 3.93Å; Y117-V129 CarbonylContact C-O 3.57Å; Y117-V129 WeakPolarHBondContact CA-O 3.19Å; Y117-I130 HydrophobicContact CD1-CG1 3.75Å; Y117-I130 HydrophobicContact CE1-CD1 4.06Å; Y117-I130 HydrophobicContact CE1-CG1 3.52Å; Y117-I130 HydrophobicContact CE2-CG1 4.49Å; Y117-I130 HydrophobicContact CG-CG1 4.39Å |
| 118 | S | 96.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.6 | 179.1 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | S108 S109 L120 V129 T131 | S108-S118 WeakPolarHBondContact O-CA 3.06Å; S109-S118 WeakPolarHBondContact OG-CB 3.03Å; S109-S118 PolarHBondContact OG-OG 3.09Å; S118-L120 PolarHBondContact O-N 2.83Å; S118-V129 PolarHBondContact N-O 3.33Å; S118-V129 PolarHBondContact O-N 3.38Å; S118-T131 WeakPolarHBondContact OG-CG2 3.41Å; S118-T131 PolarHBondContact OG-OG1 3.14Å |
| 119 | C | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.8 | 172.1 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | C97 M104 G107 S108 G127 | C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.32Å; C97-C119 PolarHBondContact N-SG 2.82Å; C97-C119 WeakPolarHBondContact SG-CA 3.44Å; C97-C119 WeakPolarHBondContact SG-CB 3.48Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.15Å; M104-C119 HydrophobicContact CB-CB 4.2Å; G107-C119 WeakPolarHBondContact CA-O 3.28Å; G107-C119 PolarHBondContact N-O 2.89Å; S108-C119 PolarHBondContact O-N 2.8Å; C119-G127 CarbonylContact C-O 3.51Å; C119-G127 WeakPolarHBondContact CA-O 3.41Å |
| 120 | L | 93.6 | Very high | 90.6 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.1 | -173 | -60.4 | -178 | 0 | 0 | 0 | 111.5 | S118 I126 G127 V129 T131 | S118-L120 PolarHBondContact O-N 2.83Å; L120-I126 CarbonylContact O-C 3.55Å; L120-I126 WeakPolarHBondContact O-CA 3.32Å; L120-G127 PolarHBondContact N-O 2.04Å; L120-G127 PolarHBondContact O-N 3.04Å; L120-V129 HydrophobicContact CB-CG2 4.39Å; L120-V129 HydrophobicContact CD1-CB 4.27Å; L120-T131 HydrophobicContact CD1-CG2 3.81Å |
| 121 | E | 88.8 | Confident | 90.6 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126 | 172.2 | -171.1 | 172.6 | 157.1 | 0 | 0 | 109.4 | Y36 K106 R125 | Y36-E121 PolarHBondContact OH-OE1 3.17Å; K106-E121 WeakPolarHBondContact CD-OE2 3.39Å; K106-E121 WeakPolarHBondContact CE-OE2 3.2Å; K106-E121 IonicContact NZ-OE2 3.69Å; K106-E121 PolarHBondContact NZ-OE2 2.88Å; E121-R125 CarbonylContact C-O 3.51Å; E121-R125 VanDerWaalsContact CA-O 3.32Å; E121-R125 WeakPolarHBondContact CA-O 3.44Å |
| 122 | K | 83.3 | Confident | 90.8 | Very high | 142 Ų | 142 | 44.8 Ų | 44.8 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 130.9 | 178.5 | -172.3 | 175.9 | 177.6 | -169.8 | 0 | 110.4 | G124 R125 | K122-G124 PolarHBondContact O-N 3.46Å; K122-R125 PolarHBondContact N-O 2.88Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.15Å |
| 123 | E | 79.2 | Confident | 91 | Very high | 164 Ų | 164 | 43 Ų | 43 | 77% | 0.766 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 53.7 | 169.1 | -67.2 | 168.2 | -155.8 | 0 | 0 | 114.7 | R125 | E123-R125 VanDerWaalsContact C-N 3.26Å; E123-R125 PolarHBondContact O-N 3.42Å |
| 124 | G | 75.6 | Confident | 91.3 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 5.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y36 K122 | Y36-G124 VanDerWaalsContact CD1-C 3.44Å; Y36-G124 WeakPolarHBondContact CD1-O 3.5Å; Y36-G124 WeakPolarHBondContact CE1-O 3.49Å; Y36-G124 VanDerWaalsContact CG-O 3.26Å; Y36-G124 PolarHBondContact N-O 2.99Å; Y36-G124 WeakPolarHBondContact OH-CA 3.49Å; Y36-G124 PolarHBondContact OH-N 2.93Å; K122-G124 PolarHBondContact O-N 3.46Å |
| 125 | R | 83.6 | Confident | 91.3 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 46% | 0.457 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144 | -175.6 | -55.3 | -173 | 169.8 | 156.5 | -0.8 | 111.6 | Y34 D35 Y36 E121 K122 E123 | Y34-R125 WeakPolarHBondContact O-CA 3.27Å; Y34-R125 WeakPolarHBondContact O-CB 3.36Å; D35-R125 HydrophobicContact CB-CG 4.28Å; D35-R125 IonicContact OD2-CZ 2.78Å; D35-R125 VanDerWaalsContact OD2-CZ 3.27Å; D35-R125 IonicContact OD2-NE 2.65Å; D35-R125 PolarHBondContact OD2-NE 3.05Å; D35-R125 IonicContact OD2-NH2 2.77Å; D35-R125 PolarHBondContact OD2-NH2 2.83Å; Y36-R125 VanDerWaalsContact CE1-N 3.25Å; E121-R125 CarbonylContact C-O 3.51Å; E121-R125 VanDerWaalsContact CA-O 3.32Å; E121-R125 WeakPolarHBondContact CA-O 3.44Å; K122-R125 PolarHBondContact N-O 2.88Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.15Å; E123-R125 VanDerWaalsContact C-N 3.26Å; E123-R125 PolarHBondContact O-N 3.42Å |
| 126 | I | 89.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.8 | 162 | -164.7 | -177.6 | 0 | 0 | 0 | 108.2 | Y33 Y34 F78 P94 K106 L120 | Y33-I126 WeakPolarHBondContact CA-O 3.29Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.8Å; F78-I126 HydrophobicContact CD1-CG2 3.93Å; F78-I126 HydrophobicContact CE1-CG2 3.97Å; P94-I126 HydrophobicContact CB-CG2 3.39Å; P94-I126 HydrophobicContact CG-CB 4.21Å; P94-I126 HydrophobicContact CG-CG2 3.17Å; K106-I126 HydrophobicContact CD-CD1 4.35Å; K106-I126 HydrophobicContact CG-CD1 3.98Å; L120-I126 CarbonylContact O-C 3.55Å; L120-I126 WeakPolarHBondContact O-CA 3.32Å |
| 127 | G | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 141.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y32 C119 L120 V129 | Y32-G127 CarbonylContact O-C 3.55Å; Y32-G127 WeakPolarHBondContact O-CA 3.32Å; C119-G127 CarbonylContact C-O 3.51Å; C119-G127 WeakPolarHBondContact CA-O 3.41Å; L120-G127 PolarHBondContact N-O 2.04Å; L120-G127 PolarHBondContact O-N 3.04Å; G127-V129 PolarHBondContact O-N 3.15Å |
| 128 | L | 91.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 96.1 | 161.1 | -171.8 | 71.1 | 0 | 0 | 0 | 107 | S31 Y32 C97 M99 M104 Y117 | S31-L128 WeakPolarHBondContact CA-O 3.41Å; Y32-L128 PolarHBondContact N-O 3.01Å; Y32-L128 PolarHBondContact O-N 2.86Å; C97-L128 HydrophobicContact CB-CB 4.47Å; C97-L128 HydrophobicContact CB-CD1 4.02Å; M99-L128 HydrophobicContact CB-CD1 4.46Å; M99-L128 HydrophobicContact CB-CD2 4.48Å; M99-L128 HydrophobicContact SD-CD2 3.72Å; M104-L128 HydrophobicContact CE-CD1 4.33Å; M104-L128 HydrophobicContact SD-CD1 3.72Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CD1-CD2 4.15Å; Y117-L128 HydrophobicContact CD1-CG 3.93Å |
| 129 | V | 92.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.9 | -170.7 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | Y33 Y117 S118 L120 G127 T131 | Y33-V129 HydrophobicContact CD1-CG2 4.44Å; Y33-V129 HydrophobicContact CE1-CG2 3.5Å; Y33-V129 WeakPolarHBondContact OH-CG2 3.48Å; Y117-V129 CarbonylContact C-O 3.57Å; Y117-V129 WeakPolarHBondContact CA-O 3.19Å; S118-V129 PolarHBondContact N-O 3.33Å; S118-V129 PolarHBondContact O-N 3.38Å; L120-V129 HydrophobicContact CB-CG2 4.39Å; L120-V129 HydrophobicContact CD1-CB 4.27Å; G127-V129 PolarHBondContact O-N 3.15Å; V129-T131 PolarHBondContact O-N 2.94Å |
| 130 | I | 94.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.7 | 170.7 | -60 | 162.1 | 0 | 0 | 0 | 108.5 | S29 S31 F115 V116 Y117 G132 V163 | S29-I130 VanDerWaalsContact CB-CD1 3.45Å; S31-I130 PolarHBondContact OG-N 2.76Å; S31-I130 VanDerWaalsContact OG-N 3.15Å; F115-I130 HydrophobicContact CB-CG1 4.5Å; F115-I130 HydrophobicContact CB-CG2 3.9Å; F115-I130 HydrophobicContact CD1-CD1 4.49Å; F115-I130 HydrophobicContact CD1-CG2 3.69Å; F115-I130 HydrophobicContact CG-CD1 4.47Å; F115-I130 HydrophobicContact CG-CG2 4.11Å; V116-I130 CarbonylContact O-C 3.57Å; V116-I130 WeakPolarHBondContact O-CA 2.93Å; Y117-I130 HydrophobicContact CD1-CG1 3.75Å; Y117-I130 HydrophobicContact CE1-CD1 4.06Å; Y117-I130 HydrophobicContact CE1-CG1 3.52Å; Y117-I130 HydrophobicContact CE2-CG1 4.49Å; Y117-I130 HydrophobicContact CG-CG1 4.39Å; I130-G132 WeakPolarHBondContact CG2-O 3.5Å; I130-V163 HydrophobicContact CB-CB 3.99Å; I130-V163 HydrophobicContact CB-CG2 3.65Å; I130-V163 HydrophobicContact CD1-CB 4.01Å; I130-V163 HydrophobicContact CD1-CG2 4.28Å; I130-V163 HydrophobicContact CG2-CB 3.63Å; I130-V163 HydrophobicContact CG2-CG1 3.79Å; I130-V163 HydrophobicContact CG2-CG2 3.69Å |
| 131 | T | 95 | Very high | 90.6 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -10.2 | -177.5 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | V116 S118 L120 V129 | V116-T131 PolarHBondContact O-N 2.88Å; V116-T131 PolarHBondContact O-OG1 3.17Å; S118-T131 WeakPolarHBondContact OG-CG2 3.41Å; S118-T131 PolarHBondContact OG-OG1 3.14Å; L120-T131 HydrophobicContact CD1-CG2 3.81Å; V129-T131 PolarHBondContact O-N 2.94Å |
| 132 | G | 96.7 | Very high | 91 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F115 V116 I130 A141 | F115-G132 WeakPolarHBondContact CA-O 3.46Å; V116-G132 PolarHBondContact N-O 2.69Å; I130-G132 WeakPolarHBondContact CG2-O 3.5Å; G132-A141 CarbonylContact C-O 3.54Å; G132-A141 WeakPolarHBondContact CA-O 3.49Å |
| 133 | C | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 156.4 | 178.5 | -60 | 0 | 0 | 0 | 0 | 110.4 | A141 F147 C156 H165 | C133-A141 PolarHBondContact N-O 3.03Å; C133-A141 PolarHBondContact O-N 3.11Å; C133-F147 HydrophobicContact CB-CD1 4.23Å; C133-F147 HydrophobicContact CB-CE1 3.47Å; C133-F147 VanDerWaalsContact CB-CE1 3.47Å; C133-F147 HydrophobicContact CB-CE2 4.46Å; C133-F147 HydrophobicContact CB-CZ 3.6Å; C133-C156 HydrophobicContact CB-CB 3.57Å; C133-C156 WeakPolarHBondContact CB-SG 3.39Å; C133-C156 PolarHBondContact N-SG 3.14Å; C133-C156 WeakPolarHBondContact SG-CA 3.42Å; C133-C156 WeakPolarHBondContact SG-CB 3.21Å; C133-C156 CovalentContact SG-SG 2.04Å; C133-C156 PolarHBondContact SG-SG 3.03Å; C133-H165 PolarHBondContact SG-CD2 2.58Å |
| 134 | V | 95.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.8 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | I111 S114 V116 K138 L140 | I111-V134 HydrophobicContact CG2-CG1 4.26Å; I111-V134 HydrophobicContact CG2-CG2 3.78Å; S114-V134 PolarHBondContact O-N 2.96Å; V116-V134 HydrophobicContact CG2-CG2 3.99Å; V134-K138 HydrophobicContact CG1-CB 4.49Å; V134-L140 HydrophobicContact CG1-CD2 4.4Å; V134-L140 HydrophobicContact CG2-CD2 3.91Å |
| 135 | G | 93.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 53 Ų | 53 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | trans | -98.4 | -161.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K138 V139 F147 T148 | G135-K138 PolarHBondContact O-N 2.89Å; G135-V139 PolarHBondContact N-O 3.04Å; G135-F147 VanDerWaalsContact CA-CD2 3.46Å; G135-T148 WeakPolarHBondContact CA-O 3.21Å | ||
| 136 | D | 89.8 | Confident | 94 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.5 | 148.8 | 172.8 | -65.9 | -35.3 | 0 | 0 | 0 | 111.5 | K138 V139 T148 R149 R150 | D136-K138 PolarHBondContact O-N 3.42Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 VanDerWaalsContact O-CG2 3.31Å; D136-V139 WeakPolarHBondContact O-CG2 3.32Å; D136-V139 PolarHBondContact O-N 3.3Å; D136-T148 PolarHBondContact N-O 2.98Å; D136-R149 VanDerWaalsContact CG-CA 3.48Å; D136-R149 WeakPolarHBondContact OD1-CA 3.44Å; D136-R149 VanDerWaalsContact OD2-CA 3.22Å; D136-R149 WeakPolarHBondContact OD2-CA 3.41Å; D136-R150 PolarHBondContact OD1-N 3.02Å; D136-R150 PolarHBondContact OD2-N 2.76Å |
| 137 | N | 90.1 | Very high | 94.3 | Very high | 162 Ų | 162 | 50.5 Ų | 50.5 | 87% | 0.866 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | 53.3 | 28.3 | 178.5 | -55.4 | -30.3 | 0 | 0 | 0 | 113.7 | V139 | N137-V139 PolarHBondContact O-N 3.35Š|
| 138 | K | 90.3 | Very high | 94.4 | Very high | 163 Ų | 163 | 53 Ų | 53 | 71% | 0.709 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | 59.7 | 23.8 | -176.8 | -53.7 | -179 | 179.3 | -179 | 0 | 114.1 | V134 G135 D136 L140 | V134-K138 HydrophobicContact CG1-CB 4.49Å; G135-K138 PolarHBondContact O-N 2.89Å; D136-K138 PolarHBondContact O-N 3.42Å; K138-L140 WeakPolarHBondContact O-CD2 3.27Å; K138-L140 PolarHBondContact O-N 3.06Å |
| 139 | V | 93.5 | Very high | 94.3 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | trans | -60.1 | 128.5 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 108.8 | G135 D136 N137 | G135-V139 PolarHBondContact N-O 3.04Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 VanDerWaalsContact O-CG2 3.31Å; D136-V139 WeakPolarHBondContact O-CG2 3.32Å; D136-V139 PolarHBondContact O-N 3.3Å; N137-V139 PolarHBondContact O-N 3.35Å | ||
| 140 | L | 95.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.2 | -179.1 | -54.4 | -175.6 | 0 | 0 | 0 | 109.9 | I111 V116 V134 K138 | I111-L140 HydrophobicContact CD1-CD1 3.97Å; I111-L140 HydrophobicContact CD1-CD2 4.09Å; I111-L140 HydrophobicContact CG1-CD2 4.29Å; I111-L140 HydrophobicContact CG2-CD2 4.12Å; V116-L140 HydrophobicContact CG2-CD1 4.41Å; V116-L140 HydrophobicContact CG2-CD2 3.73Å; V134-L140 HydrophobicContact CG1-CD2 4.4Å; V134-L140 HydrophobicContact CG2-CD2 3.91Å; K138-L140 WeakPolarHBondContact O-CD2 3.27Å; K138-L140 PolarHBondContact O-N 3.06Å |
| 141 | A | 97.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G132 C133 E145 F147 C156 | G132-A141 CarbonylContact C-O 3.54Å; G132-A141 WeakPolarHBondContact CA-O 3.49Å; C133-A141 PolarHBondContact N-O 3.03Å; C133-A141 PolarHBondContact O-N 3.11Å; A141-E145 HydrophobicContact CB-CB 4.12Å; A141-F147 HydrophobicContact CB-CB 3.88Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.34Å; A141-F147 HydrophobicContact CB-CG 3.94Å; A141-C156 HydrophobicContact CB-CB 4.36Å |
| 142 | K | 97 | Very high | 93.6 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 161.2 | 170.1 | -61.7 | 176.2 | -177.7 | 172.6 | 0 | 109.6 | G144 E145 C156 | K142-G144 PolarHBondContact O-N 2.82Å; K142-E145 HydrophobicContact CB-CG 4.12Å; K142-E145 PolarHBondContact N-OE2 3.35Å; K142-E145 WeakPolarHBondContact O-CB 3.36Å; K142-E145 PolarHBondContact O-N 2.85Å; K142-C156 WeakPolarHBondContact O-CB 3Å |
| 143 | I | 95.8 | Very high | 93.5 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 129.3 | 171.4 | -58.9 | -168.1 | 0 | 0 | 0 | 109.3 | V163 | I143-V163 HydrophobicContact CD1-CG1 4.5Å; I143-V163 HydrophobicContact CD1-CG2 3.86Å |
| 144 | G | 96.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -17.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K142 C156 | K142-G144 PolarHBondContact O-N 2.82Å; G144-C156 PolarHBondContact N-O 2.93Å |
| 145 | E | 97.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 62 Ų | 62 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | trans | -87.4 | 153.6 | -179.4 | -65.5 | 178.7 | 168 | 0 | 0 | 112.4 | A141 K142 T155 C156 | A141-E145 HydrophobicContact CB-CB 4.12Å; K142-E145 HydrophobicContact CB-CG 4.12Å; K142-E145 PolarHBondContact N-OE2 3.35Å; K142-E145 WeakPolarHBondContact O-CB 3.36Å; K142-E145 PolarHBondContact O-N 2.85Å; E145-T155 WeakPolarHBondContact O-CA 3.48Å; E145-T155 PolarHBondContact O-OG1 3.48Å; E145-C156 PolarHBondContact O-N 3.08Å | ||
| 146 | S | 95.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 144.8 | 175.9 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | F154 I168 | S146-F154 CarbonylContact C-O 3.5Å; S146-F154 WeakPolarHBondContact CA-O 3.3Å; S146-F154 WeakPolarHBondContact CB-O 3.02Å; S146-I168 WeakPolarHBondContact OG-CD1 3.02Å |
| 147 | F | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 161 | 179.4 | 62.7 | -80.7 | 0 | 0 | 0 | 111.4 | C133 G135 A141 F154 C156 H165 | C133-F147 HydrophobicContact CB-CD1 4.23Å; C133-F147 HydrophobicContact CB-CE1 3.47Å; C133-F147 VanDerWaalsContact CB-CE1 3.47Å; C133-F147 HydrophobicContact CB-CE2 4.46Å; C133-F147 HydrophobicContact CB-CZ 3.6Å; G135-F147 VanDerWaalsContact CA-CD2 3.46Å; A141-F147 HydrophobicContact CB-CB 3.88Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.34Å; A141-F147 HydrophobicContact CB-CG 3.94Å; F147-F154 HydrophobicContact CD1-CB 4.25Å; F147-F154 HydrophobicContact CD2-CB 4.35Å; F147-F154 HydrophobicContact CE1-CB 3.79Å; F147-F154 HydrophobicContact CE2-CB 3.93Å; F147-F154 HydrophobicContact CE2-CG 4.42Å; F147-F154 HydrophobicContact CZ-CB 3.62Å; F147-F154 HydrophobicContact CZ-CG 4.35Å; F147-F154 PolarHBondContact N-O 2.8Å; F147-F154 PolarHBondContact O-N 3.46Å; F147-C156 HydrophobicContact CD1-CB 4.42Å; F147-C156 HydrophobicContact CE1-CB 3.98Å; F147-H165 HydrophobicContact CZ-CB 4.34Å; F147-H165 AromaticContact CZ-CD2 3.93Å; F147-H165 AromaticContact CZ-CE1 3.96Å; F147-H165 AromaticContact CZ-CG 3.76Å; F147-H165 AromaticContact CZ-ND1 3.78Å |
| 148 | T | 92.8 | Very high | 93.8 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 142.6 | 177 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | G135 D136 F152 L153 I171 | G135-T148 WeakPolarHBondContact CA-O 3.21Å; D136-T148 PolarHBondContact N-O 2.98Å; T148-F152 WeakPolarHBondContact CA-O 3.48Å; T148-L153 HydrophobicContact CG2-CD1 4.07Å; T148-I171 HydrophobicContact CG2-CD1 4.15Å; T148-I171 HydrophobicContact CG2-CG1 4.15Å |
| 149 | R | 89.3 | Confident | 93.8 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 115.9 | 166.1 | -166.9 | 170.7 | 171.2 | -173.3 | -7.4 | 109.2 | E27 D136 T151 F152 F154 H165 | E27-R149 IonicContact OE1-CZ 2.74Å; E27-R149 IonicContact OE1-NH1 3.2Å; E27-R149 PolarHBondContact OE1-NH1 3.15Å; E27-R149 IonicContact OE1-NH2 2.81Å; E27-R149 PolarHBondContact OE1-NH2 2.87Å; E27-R149 IonicContact OE2-CZ 2.73Å; E27-R149 IonicContact OE2-NH1 3.92Å; E27-R149 PolarHBondContact OE2-NH1 3.19Å; E27-R149 IonicContact OE2-NH2 2.6Å; D136-R149 VanDerWaalsContact CG-CA 3.48Å; D136-R149 WeakPolarHBondContact OD1-CA 3.44Å; D136-R149 VanDerWaalsContact OD2-CA 3.22Å; D136-R149 WeakPolarHBondContact OD2-CA 3.41Å; R149-T151 PolarHBondContact O-N 3.01Å; R149-F152 PolarHBondContact N-O 2.93Å; R149-F152 PolarHBondContact O-N 2.83Å; R149-F152 VanDerWaalsContact O-N 3.15Å; R149-F154 HydrophobicContact CB-CD2 3.98Å; R149-F154 HydrophobicContact CB-CE2 3.85Å; R149-H165 PolarHBondContact NH1-ND1 2.87Å |
| 150 | R | 87.5 | Confident | 93.4 | Very high | 146 Ų | 146 | 52.7 Ų | 52.7 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -119.4 | -167.3 | -56.2 | 169.6 | 174 | -173 | -10.2 | 110.2 | D136 | D136-R150 PolarHBondContact OD1-N 3.02Å; D136-R150 PolarHBondContact OD2-N 2.76Å |
| 151 | T | 88.3 | Confident | 92.9 | Very high | 45 Ų | 45 | 54 Ų | 54 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 25.1 | -178.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | R149 I171 | R149-T151 PolarHBondContact O-N 3.01Å; T151-I171 PolarHBondContact O-N 2.78Å |
| 152 | F | 92.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.9 | -174.9 | -59.2 | -81.6 | 0 | 0 | 0 | 112 | I19 C21 C24 T148 R149 F154 V200 V202 | I19-F152 HydrophobicContact CG2-CE2 4.35Å; I19-F152 HydrophobicContact CG2-CZ 4.42Å; C21-F152 HydrophobicContact CB-CD2 3.79Å; C21-F152 HydrophobicContact CB-CE1 4.4Å; C21-F152 HydrophobicContact CB-CE2 3.3Å; C21-F152 HydrophobicContact CB-CZ 3.64Å; C24-F152 WeakPolarHBondContact SG-CD2 3.22Å; T148-F152 WeakPolarHBondContact CA-O 3.48Å; R149-F152 PolarHBondContact N-O 2.93Å; R149-F152 PolarHBondContact O-N 2.83Å; R149-F152 VanDerWaalsContact O-N 3.15Å; F152-F154 HydrophobicContact CB-CD2 4.31Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.28Å; F152-V200 HydrophobicContact CD1-CB 4.27Å; F152-V200 HydrophobicContact CD1-CG1 4.09Å; F152-V200 HydrophobicContact CE1-CG1 4.27Å; F152-V200 WeakPolarHBondContact CE1-O 3.22Å; F152-V202 HydrophobicContact CE1-CG2 4.3Å |
| 153 | L | 93.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.7 | 178.5 | -173.5 | 69.8 | 0 | 0 | 0 | 109.1 | T148 I168 G169 I171 | T148-L153 HydrophobicContact CG2-CD1 4.07Å; L153-I168 HydrophobicContact CB-CG1 4.24Å; L153-I168 HydrophobicContact CD2-CD1 3.77Å; L153-I168 HydrophobicContact CD2-CG1 3.92Å; L153-I168 HydrophobicContact CG-CD1 3.86Å; L153-I168 HydrophobicContact CG-CG1 3.76Å; L153-I168 WeakPolarHBondContact O-CG1 3.4Å; L153-I168 PolarHBondContact O-N 2.89Å; L153-G169 PolarHBondContact N-O 2.91Å; L153-G169 PolarHBondContact O-N 2.82Å; L153-I171 HydrophobicContact CB-CD1 4.48Å |
| 154 | F | 93 | Very high | 92.3 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.6 | 179.1 | -68.5 | -91.9 | 0 | 0 | 0 | 110.4 | C24 S146 F147 R149 F152 H165 K166 A167 | C24-F154 HydrophobicContact CB-CE1 4.47Å; C24-F154 HydrophobicContact CB-CZ 3.85Å; C24-F154 WeakPolarHBondContact SG-CZ 3.42Å; S146-F154 CarbonylContact C-O 3.5Å; S146-F154 WeakPolarHBondContact CA-O 3.3Å; S146-F154 WeakPolarHBondContact CB-O 3.02Å; F147-F154 HydrophobicContact CD1-CB 4.25Å; F147-F154 HydrophobicContact CD2-CB 4.35Å; F147-F154 HydrophobicContact CE1-CB 3.79Å; F147-F154 HydrophobicContact CE2-CB 3.93Å; F147-F154 HydrophobicContact CE2-CG 4.42Å; F147-F154 HydrophobicContact CZ-CB 3.62Å; F147-F154 HydrophobicContact CZ-CG 4.35Å; F147-F154 PolarHBondContact N-O 2.8Å; F147-F154 PolarHBondContact O-N 3.46Å; R149-F154 HydrophobicContact CB-CD2 3.98Å; R149-F154 HydrophobicContact CB-CE2 3.85Å; F152-F154 HydrophobicContact CB-CD2 4.31Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.28Å; F154-H165 HydrophobicContact CD1-CB 3.83Å; F154-H165 HydrophobicContact CE1-CB 4.25Å; F154-H165 HydrophobicContact CG-CB 4.5Å; F154-K166 CarbonylContact C-O 3.52Å; F154-K166 VanDerWaalsContact CA-O 3.3Å; F154-K166 WeakPolarHBondContact CA-O 3.07Å; F154-A167 HydrophobicContact CD1-CB 3.98Å; F154-A167 HydrophobicContact CE1-CB 3.74Å; F154-A167 HydrophobicContact CZ-CB 4.41Å |
| 155 | T | 94.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.8 | 161.8 | -164.8 | 0 | 0 | 0 | 0 | 109 | E145 L157 K166 I168 | E145-T155 WeakPolarHBondContact O-CA 3.48Å; E145-T155 PolarHBondContact O-OG1 3.48Å; T155-L157 HydrophobicContact CG2-CB 4.46Å; T155-L157 PolarHBondContact O-N 3.36Å; T155-K166 HydrophobicContact CG2-CB 3.83Å; T155-K166 HydrophobicContact CG2-CD 4.37Å; T155-K166 HydrophobicContact CG2-CG 4.33Å; T155-K166 PolarHBondContact N-O 3.28Å; T155-K166 PolarHBondContact O-N 2.79Å; T155-I168 HydrophobicContact CG2-CG2 3.8Å |
| 156 | C | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 111.2 | 172 | -167.3 | 0 | 0 | 0 | 0 | 108.3 | C133 A141 K142 G144 E145 F147 | C133-C156 HydrophobicContact CB-CB 3.57Å; C133-C156 WeakPolarHBondContact CB-SG 3.39Å; C133-C156 PolarHBondContact N-SG 3.14Å; C133-C156 WeakPolarHBondContact SG-CA 3.42Å; C133-C156 WeakPolarHBondContact SG-CB 3.21Å; C133-C156 CovalentContact SG-SG 2.04Å; C133-C156 PolarHBondContact SG-SG 3.03Å; A141-C156 HydrophobicContact CB-CB 4.36Å; K142-C156 WeakPolarHBondContact O-CB 3Å; G144-C156 PolarHBondContact N-O 2.93Å; E145-C156 PolarHBondContact O-N 3.08Å; F147-C156 HydrophobicContact CD1-CB 4.42Å; F147-C156 HydrophobicContact CE1-CB 3.98Å |
| 157 | L | 95.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.5 | -172.8 | -174.3 | 66.3 | 0 | 0 | 0 | 111 | T155 E159 V163 I164 K166 | T155-L157 HydrophobicContact CG2-CB 4.46Å; T155-L157 PolarHBondContact O-N 3.36Å; L157-E159 HydrophobicContact CD2-CG 3.93Å; L157-E159 VanDerWaalsContact CD2-OE1 3.3Å; L157-E159 WeakPolarHBondContact CD2-OE1 3.46Å; L157-E159 HydrophobicContact CG-CG 4.1Å; L157-V163 CarbonylContact O-C 3.46Å; L157-V163 WeakPolarHBondContact O-CA 3.36Å; L157-I164 HydrophobicContact CB-CG1 3.95Å; L157-I164 HydrophobicContact CD2-CD1 4.34Å; L157-I164 HydrophobicContact CD2-CG1 4.48Å; L157-I164 PolarHBondContact N-O 2.87Å; L157-I164 PolarHBondContact O-N 2.83Å; L157-K166 HydrophobicContact CB-CB 4.46Å; L157-K166 HydrophobicContact CD2-CD 3.63Å |
| 158 | S | 94 | Very high | 91.6 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.7 | 168.8 | -168.3 | 0 | 0 | 0 | 0 | 110 | R162 | S158-R162 CarbonylContact C-O 3.56Å; S158-R162 WeakPolarHBondContact CA-O 3.4Å |
| 159 | E | 89.1 | Confident | 91.6 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 94.9 | 175.4 | -67.7 | -172.6 | 171.3 | 0 | 0 | 108.9 | L157 N161 R162 I164 | L157-E159 HydrophobicContact CD2-CG 3.93Å; L157-E159 VanDerWaalsContact CD2-OE1 3.3Å; L157-E159 WeakPolarHBondContact CD2-OE1 3.46Å; L157-E159 HydrophobicContact CG-CG 4.1Å; E159-N161 PolarHBondContact O-N 3.25Å; E159-R162 PolarHBondContact N-O 2.04Å; E159-R162 WeakPolarHBondContact O-CB 3.26Å; E159-R162 PolarHBondContact O-N 2.7Å; E159-R162 VanDerWaalsContact O-N 3.08Å; E159-I164 VanDerWaalsContact CD-CD1 3.48Å; E159-I164 HydrophobicContact CG-CD1 4.25Å; E159-I164 WeakPolarHBondContact OE1-CD1 3.13Å |
| 160 | G | 86.3 | Confident | 91.9 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 69% | 0.691 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -122.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R162 | G160-R162 VanDerWaalsContact C-N 3.26Š|
| 161 | N | 85.2 | Confident | 92.2 | Very high | 116 Ų | 116 | 39.6 Ų | 39.6 | 62% | 0.62 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.2 | 177.7 | -63.3 | -5 | 0 | 0 | 0 | 112.9 | S30 S31 E159 | S30-N161 CarbonylContact C-O 3.54Å; S30-N161 WeakPolarHBondContact CA-O 3.47Å; S31-N161 PolarHBondContact N-O 3.39Å; E159-N161 PolarHBondContact O-N 3.25Å |
| 162 | R | 91.5 | Very high | 92.4 | Very high | 142 Ų | 142 | 38 Ų | 38 | 54% | 0.536 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.1 | -175.9 | -64.5 | 176.5 | 178 | 173.3 | 2.7 | 110.8 | V28 S29 S158 E159 G160 I164 | V28-R162 HydrophobicContact CG1-CB 4.07Å; V28-R162 HydrophobicContact CG1-CG 4.16Å; S29-R162 CarbonylContact O-C 3.59Å; S29-R162 WeakPolarHBondContact O-CA 3.23Å; S158-R162 CarbonylContact C-O 3.56Å; S158-R162 WeakPolarHBondContact CA-O 3.4Å; E159-R162 PolarHBondContact N-O 2.04Å; E159-R162 WeakPolarHBondContact O-CB 3.26Å; E159-R162 PolarHBondContact O-N 2.7Å; E159-R162 VanDerWaalsContact O-N 3.08Å; G160-R162 VanDerWaalsContact C-N 3.26Å; R162-I164 HydrophobicContact CB-CG2 4.49Å |
| 163 | V | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.9 | 166.2 | -178.5 | 0 | 0 | 0 | 0 | 108 | S29 F115 I130 I143 L157 | S29-V163 PolarHBondContact N-O 2.81Å; S29-V163 PolarHBondContact O-N 3.18Å; F115-V163 HydrophobicContact CD1-CB 4.48Å; F115-V163 HydrophobicContact CD1-CG1 4.17Å; F115-V163 HydrophobicContact CE1-CB 4.24Å; F115-V163 HydrophobicContact CE1-CG1 3.98Å; F115-V163 WeakPolarHBondContact CE1-O 3.14Å; F115-V163 WeakPolarHBondContact CZ-O 3.44Å; I130-V163 HydrophobicContact CB-CB 3.99Å; I130-V163 HydrophobicContact CB-CG2 3.65Å; I130-V163 HydrophobicContact CD1-CB 4.01Å; I130-V163 HydrophobicContact CD1-CG2 4.28Å; I130-V163 HydrophobicContact CG2-CB 3.63Å; I130-V163 HydrophobicContact CG2-CG1 3.79Å; I130-V163 HydrophobicContact CG2-CG2 3.69Å; I143-V163 HydrophobicContact CD1-CG1 4.5Å; I143-V163 HydrophobicContact CD1-CG2 3.86Å; L157-V163 CarbonylContact O-C 3.46Å; L157-V163 WeakPolarHBondContact O-CA 3.36Å |
| 164 | I | 92.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.3 | -173.4 | 72.9 | 167.7 | 0 | 0 | 0 | 111.8 | E27 V28 L157 E159 R162 K166 | E27-I164 CarbonylContact O-C 3.4Å; E27-I164 VanDerWaalsContact O-CA 3.27Å; E27-I164 WeakPolarHBondContact O-CA 3.47Å; V28-I164 HydrophobicContact CB-CG2 4.05Å; V28-I164 HydrophobicContact CG1-CG2 3.86Å; V28-I164 HydrophobicContact CG2-CB 4.12Å; V28-I164 HydrophobicContact CG2-CG2 3.5Å; L157-I164 HydrophobicContact CB-CG1 3.95Å; L157-I164 HydrophobicContact CD2-CD1 4.34Å; L157-I164 HydrophobicContact CD2-CG1 4.48Å; L157-I164 PolarHBondContact N-O 2.87Å; L157-I164 PolarHBondContact O-N 2.83Å; E159-I164 VanDerWaalsContact CD-CD1 3.48Å; E159-I164 HydrophobicContact CG-CD1 4.25Å; E159-I164 WeakPolarHBondContact OE1-CD1 3.13Å; R162-I164 HydrophobicContact CB-CG2 4.49Å; I164-K166 HydrophobicContact CD1-CB 4.21Å; I164-K166 HydrophobicContact CG1-CB 4.35Å; I164-K166 PolarHBondContact O-N 2.82Å |
| 165 | H | 92.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 99.1 | 165.4 | -66.3 | -166.7 | 0 | 0 | 0 | 107.8 | E27 S114 F115 C133 F147 R149 F154 | E27-H165 HydrophobicContact CB-CB 4.38Å; E27-H165 PolarHBondContact O-N 2.91Å; E27-H165 IonicContact OE2-CE1 2.76Å; E27-H165 IonicContact OE2-ND1 2.97Å; S114-H165 PolarHBondContact O-CE1 3.13Å; S114-H165 PolarHBondContact O-NE2 3.02Å; F115-H165 AromaticContact CD1-NE2 3.76Å; F115-H165 AromaticContact CE1-CD2 3.43Å; F115-H165 VanDerWaalsContact CE1-CD2 3.43Å; F115-H165 WeakPolarHBondContact CE1-CD2 3.24Å; F115-H165 AromaticContact CE1-NE2 3.36Å; F115-H165 WeakPolarHBondContact CE1-NE2 3.4Å; F115-H165 AromaticContact CZ-CD2 3.71Å; F115-H165 AromaticContact CZ-NE2 3.65Å; C133-H165 PolarHBondContact SG-CD2 2.58Å; F147-H165 HydrophobicContact CZ-CB 4.34Å; F147-H165 AromaticContact CZ-CD2 3.93Å; F147-H165 AromaticContact CZ-CE1 3.96Å; F147-H165 AromaticContact CZ-CG 3.76Å; F147-H165 AromaticContact CZ-ND1 3.78Å; R149-H165 PolarHBondContact NH1-ND1 2.87Å; F154-H165 HydrophobicContact CD1-CB 3.83Å; F154-H165 HydrophobicContact CE1-CB 4.25Å; F154-H165 HydrophobicContact CG-CB 4.5Å |
| 166 | K | 91.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 39% | 0.391 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.1 | 179.2 | -178.6 | 174.3 | -174.2 | 170.4 | 0 | 109.9 | F154 T155 L157 I164 I168 | F154-K166 CarbonylContact C-O 3.52Å; F154-K166 VanDerWaalsContact CA-O 3.3Å; F154-K166 WeakPolarHBondContact CA-O 3.07Å; T155-K166 HydrophobicContact CG2-CB 3.83Å; T155-K166 HydrophobicContact CG2-CD 4.37Å; T155-K166 HydrophobicContact CG2-CG 4.33Å; T155-K166 PolarHBondContact N-O 3.28Å; T155-K166 PolarHBondContact O-N 2.79Å; L157-K166 HydrophobicContact CB-CB 4.46Å; L157-K166 HydrophobicContact CD2-CD 3.63Å; I164-K166 HydrophobicContact CD1-CB 4.21Å; I164-K166 HydrophobicContact CG1-CB 4.35Å; I164-K166 PolarHBondContact O-N 2.82Å; K166-I168 PolarHBondContact O-N 3.02Å |
| 167 | A | 91.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 131.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F154 I179 V200 | F154-A167 HydrophobicContact CD1-CB 3.98Å; F154-A167 HydrophobicContact CE1-CB 3.74Å; F154-A167 HydrophobicContact CZ-CB 4.41Å; A167-I179 WeakPolarHBondContact O-CD1 3.46Å; A167-V200 HydrophobicContact CB-CB 4.15Å; A167-V200 HydrophobicContact CB-CG2 3.45Å; A167-V200 VanDerWaalsContact CB-CG2 3.45Å |
| 168 | I | 92.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | -7.5 | -178.4 | 58.6 | 164.5 | 0 | 0 | 0 | 113.2 | S146 L153 T155 K166 I179 | S146-I168 WeakPolarHBondContact OG-CD1 3.02Å; L153-I168 HydrophobicContact CB-CG1 4.24Å; L153-I168 HydrophobicContact CD2-CD1 3.77Å; L153-I168 HydrophobicContact CD2-CG1 3.92Å; L153-I168 HydrophobicContact CG-CD1 3.86Å; L153-I168 HydrophobicContact CG-CG1 3.76Å; L153-I168 WeakPolarHBondContact O-CG1 3.4Å; L153-I168 PolarHBondContact O-N 2.89Å; T155-I168 HydrophobicContact CG2-CG2 3.8Å; K166-I168 PolarHBondContact O-N 3.02Å; I168-I179 WeakPolarHBondContact O-CG1 3.31Å |
| 169 | G | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -173.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L153 V177 C192 | L153-G169 PolarHBondContact N-O 2.91Å; L153-G169 PolarHBondContact O-N 2.82Å; G169-V177 CarbonylContact C-O 3.42Å; G169-V177 WeakPolarHBondContact CA-O 3.34Å; G169-C192 VanDerWaalsContact C-SG 3.57Å |
| 170 | C | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156.4 | 179 | -56.6 | 0 | 0 | 0 | 0 | 110 | I172 V177 C192 V200 V202 | C170-I172 HydrophobicContact CB-CD1 4.08Å; C170-I172 HydrophobicContact CB-CG1 3.84Å; C170-V177 PolarHBondContact N-O 2.81Å; C170-V177 PolarHBondContact O-N 3.09Å; C170-C192 HydrophobicContact CB-CB 3.69Å; C170-C192 WeakPolarHBondContact CB-SG 3.35Å; C170-C192 PolarHBondContact N-SG 2.88Å; C170-C192 WeakPolarHBondContact SG-CA 3.44Å; C170-C192 WeakPolarHBondContact SG-CB 2.98Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 2.85Å; C170-V200 WeakPolarHBondContact SG-CG1 3.47Å; C170-V202 HydrophobicContact CB-CG2 3.77Å |
| 171 | I | 93.9 | Very high | 93 | Very high | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 109.1 | 165 | -52.3 | -59.5 | 0 | 0 | 0 | 107.3 | T148 T151 L153 Q175 R176 | T148-I171 HydrophobicContact CG2-CD1 4.15Å; T148-I171 HydrophobicContact CG2-CG1 4.15Å; T151-I171 PolarHBondContact O-N 2.78Å; L153-I171 HydrophobicContact CB-CD1 4.48Å; I171-Q175 CarbonylContact C-O 3.51Å; I171-Q175 VanDerWaalsContact CA-O 3.31Å; I171-Q175 WeakPolarHBondContact CA-O 3.34Å; I171-R176 HydrophobicContact CD1-CB 4.34Å; I171-R176 HydrophobicContact CD1-CG 3.58Å |
| 172 | I | 92.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.2 | -176.3 | -50.2 | 177.9 | 0 | 0 | 0 | 108.1 | C170 G174 Q175 V177 I183 I185 Y190 V202 | C170-I172 HydrophobicContact CB-CD1 4.08Å; C170-I172 HydrophobicContact CB-CG1 3.84Å; I172-G174 PolarHBondContact O-N 3.24Å; I172-Q175 PolarHBondContact N-O 3.06Å; I172-Q175 PolarHBondContact O-N 2.84Å; I172-V177 HydrophobicContact CB-CG2 4.21Å; I172-V177 HydrophobicContact CD1-CB 4.17Å; I172-V177 HydrophobicContact CD1-CG1 4.36Å; I172-V177 HydrophobicContact CD1-CG2 4.05Å; I172-V177 HydrophobicContact CG1-CG2 4.17Å; I172-I183 HydrophobicContact CB-CG2 4.08Å; I172-I183 HydrophobicContact CD1-CG2 4.06Å; I172-I183 HydrophobicContact CG2-CG2 4Å; I172-I185 HydrophobicContact CG2-CG1 4.07Å; I172-Y190 HydrophobicContact CG2-CD2 4.23Å; I172-Y190 HydrophobicContact CG2-CG 4.03Å; I172-V202 HydrophobicContact CD1-CB 4.49Å; I172-V202 HydrophobicContact CD1-CG1 3.74Å; I172-V202 HydrophobicContact CD1-CG2 4.03Å; I172-V202 HydrophobicContact CG1-CG1 4.01Å; I172-V202 HydrophobicContact CG1-CG2 3.81Å; I172-V202 HydrophobicContact CG2-CG1 4.43Å |
| 173 | G | 89.5 | Confident | 93.8 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 64% | 0.639 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 36.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q175 | G173-Q175 VanDerWaalsContact C-N 3.27Å; G173-Q175 PolarHBondContact O-N 2.92Å |
| 174 | G | 90.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 50 Ų | 50 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -6.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I172 | I172-G174 PolarHBondContact O-N 3.24Š|
| 175 | Q | 94.3 | Very high | 93.9 | Very high | 107 Ų | 107 | 51.7 Ų | 51.7 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.9 | -177.7 | -62.3 | -175.6 | 52.4 | 0 | 0 | 112.1 | I171 I172 G173 I183 | I171-Q175 CarbonylContact C-O 3.51Å; I171-Q175 VanDerWaalsContact CA-O 3.31Å; I171-Q175 WeakPolarHBondContact CA-O 3.34Å; I172-Q175 PolarHBondContact N-O 3.06Å; I172-Q175 PolarHBondContact O-N 2.84Å; G173-Q175 VanDerWaalsContact C-N 3.27Å; G173-Q175 PolarHBondContact O-N 2.92Å; Q175-I183 HydrophobicContact CB-CD1 3.82Å; Q175-I183 HydrophobicContact CG-CD1 4.28Å |
| 176 | R | 95 | Very high | 93.9 | Very high | 176 Ų | 176 | 54.8 Ų | 54.8 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.8 | 174.1 | -67.3 | 179.6 | -179 | -170.1 | 1.3 | 109.7 | I171 | I171-R176 HydrophobicContact CD1-CB 4.34Å; I171-R176 HydrophobicContact CD1-CG 3.58Å |
| 177 | V | 96 | Very high | 94.1 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.1 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | G169 C170 I172 Q181 I183 C192 | G169-V177 CarbonylContact C-O 3.42Å; G169-V177 WeakPolarHBondContact CA-O 3.34Å; C170-V177 PolarHBondContact N-O 2.81Å; C170-V177 PolarHBondContact O-N 3.09Å; I172-V177 HydrophobicContact CB-CG2 4.21Å; I172-V177 HydrophobicContact CD1-CB 4.17Å; I172-V177 HydrophobicContact CD1-CG1 4.36Å; I172-V177 HydrophobicContact CD1-CG2 4.05Å; I172-V177 HydrophobicContact CG1-CG2 4.17Å; V177-Q181 HydrophobicContact CG1-CB 3.77Å; V177-I183 HydrophobicContact CG2-CB 4.1Å; V177-I183 HydrophobicContact CG2-CD1 4.04Å; V177-I183 HydrophobicContact CG2-CG2 3.86Å; V177-C192 HydrophobicContact CB-CB 4.35Å; V177-C192 HydrophobicContact CG1-CB 3.92Å |
| 178 | G | 95.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 158.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | H180 Q181 C192 | G178-H180 PolarHBondContact O-N 3.44Å; G178-Q181 VanDerWaalsContact O-CB 3.26Å; G178-Q181 WeakPolarHBondContact O-CB 3.39Å; G178-Q181 PolarHBondContact O-N 2.84Å; G178-C192 WeakPolarHBondContact O-CB 3.21Å |
| 179 | I | 93.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.2 | 175.6 | -62.3 | 172.5 | 0 | 0 | 0 | 110 | A167 I168 Q181 R194 V200 | A167-I179 WeakPolarHBondContact O-CD1 3.46Å; I168-I179 WeakPolarHBondContact O-CG1 3.31Å; I179-Q181 PolarHBondContact O-N 2.95Å; I179-R194 HydrophobicContact CG2-CG 3.55Å; I179-V200 HydrophobicContact CD1-CG2 3.82Å; I179-V200 HydrophobicContact CG1-CG2 4.1Å |
| 180 | H | 94.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -3.9 | -173.3 | -54.3 | -59.8 | 0 | 0 | 0 | 115.9 | G178 C192 | G178-H180 PolarHBondContact O-N 3.44Å; H180-C192 WeakPolarHBondContact CA-O 3.49Å; H180-C192 PolarHBondContact N-O 2.84Å |
| 181 | Q | 97.7 | Very high | 94.4 | Very high | 115 Ų | 115 | 61.4 Ų | 61.4 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | trans | -77.8 | 160 | 173.2 | -60.5 | -174.8 | -27.4 | 0 | 0 | 111.6 | V177 G178 I179 K191 C192 | V177-Q181 HydrophobicContact CG1-CB 3.77Å; G178-Q181 VanDerWaalsContact O-CB 3.26Å; G178-Q181 WeakPolarHBondContact O-CB 3.39Å; G178-Q181 PolarHBondContact O-N 2.84Å; I179-Q181 PolarHBondContact O-N 2.95Å; Q181-K191 WeakPolarHBondContact O-CA 2.83Å; Q181-C192 PolarHBondContact O-N 3.15Å | ||
| 182 | V | 96 | Very high | 94.4 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.6 | -174.2 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | W189 Y190 K191 | V182-W189 HydrophobicContact CB-CE3 4.19Å; V182-W189 HydrophobicContact CB-CZ3 4.31Å; V182-W189 HydrophobicContact CG1-CE3 4.16Å; V182-W189 HydrophobicContact CG1-CZ3 3.81Å; V182-Y190 CarbonylContact C-O 3.54Å; V182-Y190 WeakPolarHBondContact CA-O 3.33Å; V182-Y190 WeakPolarHBondContact CB-O 3.14Å; V182-K191 HydrophobicContact CG1-CB 3.89Å; V182-K191 HydrophobicContact CG1-CD 4.22Å; V182-K191 HydrophobicContact CG1-CG 3.87Å |
| 183 | I | 96.5 | Very high | 94.4 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 149.1 | -179.8 | -169.1 | 165.1 | 0 | 0 | 0 | 111 | I172 Q175 V177 I185 W189 Y190 | I172-I183 HydrophobicContact CB-CG2 4.08Å; I172-I183 HydrophobicContact CD1-CG2 4.06Å; I172-I183 HydrophobicContact CG2-CG2 4Å; Q175-I183 HydrophobicContact CB-CD1 3.82Å; Q175-I183 HydrophobicContact CG-CD1 4.28Å; V177-I183 HydrophobicContact CG2-CB 4.1Å; V177-I183 HydrophobicContact CG2-CD1 4.04Å; V177-I183 HydrophobicContact CG2-CG2 3.86Å; I183-I185 HydrophobicContact CD1-CD1 4.1Å; I183-I185 HydrophobicContact CG1-CD1 4.26Å; I183-I185 HydrophobicContact CG2-CG1 4.22Å; I183-W189 CarbonylContact O-C 3.58Å; I183-W189 VanDerWaalsContact O-CA 3.23Å; I183-W189 WeakPolarHBondContact O-CA 3.44Å; I183-W189 WeakPolarHBondContact O-CB 3.41Å; I183-Y190 PolarHBondContact N-O 3.3Å; I183-Y190 PolarHBondContact O-N 1.99Å |
| 184 | N | 95.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.8 | 172.7 | -61.9 | 8.1 | 0 | 0 | 0 | 108.7 | W189 V208 R214 | N184-W189 WeakPolarHBondContact OD1-CB 3.41Å; N184-V208 HydrophobicContact CB-CG2 4.27Å; N184-R214 VanDerWaalsContact OD1-CZ 3.3Å; N184-R214 PolarHBondContact OD1-NE 3Å; N184-R214 PolarHBondContact OD1-NH2 3.04Å |
| 185 | I | 93.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 109.3 | 174 | -53.8 | -78.1 | 0 | 0 | 0 | 107 | I172 I183 K187 F188 Y190 | I172-I185 HydrophobicContact CG2-CG1 4.07Å; I183-I185 HydrophobicContact CD1-CD1 4.1Å; I183-I185 HydrophobicContact CG1-CD1 4.26Å; I183-I185 HydrophobicContact CG2-CG1 4.22Å; I185-K187 PolarHBondContact O-N 3.46Å; I185-F188 CarbonylContact C-O 3.58Å; I185-F188 PolarHBondContact N-O 3.24Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-F188 VanDerWaalsContact O-O 3.09Å; I185-Y190 HydrophobicContact CB-CD2 4.13Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.09Å; I185-Y190 HydrophobicContact CG1-CE2 4.23Å |
| 186 | G | 92.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -127.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F188 | G186-F188 VanDerWaalsContact C-N 3.28Å; G186-F188 PolarHBondContact O-N 2.96Å |
| 187 | K | 94.7 | Very high | 92.4 | Very high | 146 Ų | 146 | 64 Ų | 64 | 64% | 0.635 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 8.2 | -176.4 | -59.5 | -174.2 | 178.4 | -178.2 | 0 | 114.2 | I185 C207 V208 I239 | I185-K187 PolarHBondContact O-N 3.46Å; K187-C207 CarbonylContact O-C 3.57Å; K187-C207 WeakPolarHBondContact O-CA 3.33Å; K187-V208 PolarHBondContact O-N 3.41Å; K187-I239 HydrophobicContact CB-CD1 3.71Å; K187-I239 HydrophobicContact CD-CD1 4.13Å; K187-I239 HydrophobicContact CG-CD1 4.48Å |
| 188 | F | 95.6 | Very high | 91.4 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 21% | 0.211 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.3 | -175.2 | -56 | -72.8 | 0 | 0 | 0 | 111.1 | I185 G186 Y190 I204 G206 V208 V237 I239 | I185-F188 CarbonylContact C-O 3.58Å; I185-F188 PolarHBondContact N-O 3.24Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-F188 VanDerWaalsContact O-O 3.09Å; G186-F188 VanDerWaalsContact C-N 3.28Å; G186-F188 PolarHBondContact O-N 2.96Å; F188-Y190 HydrophobicContact CB-CE2 3.73Å; F188-I204 HydrophobicContact CB-CD1 3.86Å; F188-I204 HydrophobicContact CB-CG1 4.29Å; F188-I204 HydrophobicContact CD1-CD1 3.78Å; F188-I204 HydrophobicContact CD2-CD1 4.41Å; F188-I204 HydrophobicContact CE1-CD1 4.43Å; F188-I204 HydrophobicContact CG-CD1 3.76Å; F188-G206 WeakPolarHBondContact CA-O 3.42Å; F188-V208 VanDerWaalsContact C-CG2 3.47Å; F188-V237 HydrophobicContact CD1-CG1 4.28Å; F188-V237 HydrophobicContact CE1-CB 4.47Å; F188-V237 HydrophobicContact CE1-CG1 4.15Å; F188-V237 WeakPolarHBondContact CE1-O 3.3Å; F188-I239 HydrophobicContact CE1-CD1 4.3Å; F188-I239 HydrophobicContact CE1-CG1 4.11Å |
| 189 | W | 95.7 | Very high | 90.7 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 8% | 0.076 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.3 | 172 | 68.8 | -79.9 | 0 | 0 | 0 | 110.5 | V182 I183 N184 M205 G206 C207 V208 R214 I215 D216 | V182-W189 HydrophobicContact CB-CE3 4.19Å; V182-W189 HydrophobicContact CB-CZ3 4.31Å; V182-W189 HydrophobicContact CG1-CE3 4.16Å; V182-W189 HydrophobicContact CG1-CZ3 3.81Å; I183-W189 CarbonylContact O-C 3.58Å; I183-W189 VanDerWaalsContact O-CA 3.23Å; I183-W189 WeakPolarHBondContact O-CA 3.44Å; I183-W189 WeakPolarHBondContact O-CB 3.41Å; N184-W189 WeakPolarHBondContact OD1-CB 3.41Å; W189-M205 HydrophobicContact CD2-CB 3.66Å; W189-M205 HydrophobicContact CD2-CG 4.47Å; W189-M205 VanDerWaalsContact CE2-CB 3.5Å; W189-M205 HydrophobicContact CE3-CB 3.51Å; W189-M205 HydrophobicContact CE3-CG 3.84Å; W189-M205 HydrophobicContact CH2-CB 3.14Å; W189-M205 HydrophobicContact CH2-CE 4.06Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.23Å; W189-M205 HydrophobicContact CZ2-CG 4.27Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 3.46Å; W189-G206 PolarHBondContact N-O 2.86Å; W189-G206 VanDerWaalsContact N-O 3.11Å; W189-C207 VanDerWaalsContact CD1-O 3.23Å; W189-V208 HydrophobicContact CB-CG2 3.77Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; W189-R214 HydrophobicContact CB-CG 4.16Å; W189-R214 HydrophobicContact CD2-CB 4.28Å; W189-R214 HydrophobicContact CD2-CG 4.04Å; W189-R214 HydrophobicContact CG-CB 4.2Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-I215 PolarHBondContact NE1-O 2.81Å; W189-D216 WeakPolarHBondContact CZ2-OD1 3.48Å |
| 190 | Y | 94.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.7 | -167 | -58.6 | -96.5 | 0 | 0 | 0 | 109.6 | L16 I172 V182 I183 I185 F188 V202 I203 I204 | L16-Y190 HydrophobicContact CD2-CE1 4.31Å; I172-Y190 HydrophobicContact CG2-CD2 4.23Å; I172-Y190 HydrophobicContact CG2-CG 4.03Å; V182-Y190 CarbonylContact C-O 3.54Å; V182-Y190 WeakPolarHBondContact CA-O 3.33Å; V182-Y190 WeakPolarHBondContact CB-O 3.14Å; I183-Y190 PolarHBondContact N-O 3.3Å; I183-Y190 PolarHBondContact O-N 1.99Å; I185-Y190 HydrophobicContact CB-CD2 4.13Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.09Å; I185-Y190 HydrophobicContact CG1-CE2 4.23Å; F188-Y190 HydrophobicContact CB-CE2 3.73Å; Y190-V202 HydrophobicContact CD1-CG1 4.01Å; Y190-I203 CarbonylContact C-O 3.51Å; Y190-I203 VanDerWaalsContact CA-O 3.24Å; Y190-I203 WeakPolarHBondContact CA-O 3.42Å; Y190-I204 HydrophobicContact CD1-CB 3.98Å; Y190-I204 HydrophobicContact CD1-CG1 4.32Å; Y190-I204 HydrophobicContact CE1-CB 3.87Å; Y190-I204 HydrophobicContact CE1-CD1 4.04Å; Y190-I204 HydrophobicContact CE1-CG1 3.99Å |
| 191 | K | 94.2 | Very high | 90.4 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 27% | 0.274 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | 172.3 | -173.8 | 171.7 | -178.6 | 175.4 | 0 | 109.7 | Q181 V182 I203 M205 | Q181-K191 WeakPolarHBondContact O-CA 2.83Å; V182-K191 HydrophobicContact CG1-CB 3.89Å; V182-K191 HydrophobicContact CG1-CD 4.22Å; V182-K191 HydrophobicContact CG1-CG 3.87Å; K191-I203 PolarHBondContact N-O 2.92Å; K191-I203 PolarHBondContact O-N 2.84Å; K191-M205 HydrophobicContact CB-CG 3.52Å; K191-M205 HydrophobicContact CB-SD 3.72Å; K191-M205 HydrophobicContact CD-SD 4.14Å |
| 192 | C | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.1 | 163.6 | -172 | 0 | 0 | 0 | 0 | 108 | G169 C170 V177 G178 H180 Q181 V200 | G169-C192 VanDerWaalsContact C-SG 3.57Å; C170-C192 HydrophobicContact CB-CB 3.69Å; C170-C192 WeakPolarHBondContact CB-SG 3.35Å; C170-C192 PolarHBondContact N-SG 2.88Å; C170-C192 WeakPolarHBondContact SG-CA 3.44Å; C170-C192 WeakPolarHBondContact SG-CB 2.98Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 2.85Å; V177-C192 HydrophobicContact CB-CB 4.35Å; V177-C192 HydrophobicContact CG1-CB 3.92Å; G178-C192 WeakPolarHBondContact O-CB 3.21Å; H180-C192 WeakPolarHBondContact CA-O 3.49Å; H180-C192 PolarHBondContact N-O 2.84Å; Q181-C192 PolarHBondContact O-N 3.15Å; C192-V200 WeakPolarHBondContact SG-CG1 3.12Å |
| 193 | S | 92.5 | Very high | 89.8 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.2 | -174.2 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | V200 K201 | S193-V200 CarbonylContact O-C 3.59Å; S193-V200 WeakPolarHBondContact O-CA 3.46Å; S193-K201 PolarHBondContact N-O 3.39Å; S193-K201 PolarHBondContact O-N 2.93Å |
| 194 | R | 90.1 | Very high | 89.6 | Confident | 141 Ų | 141 | 55.6 Ų | 55.6 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 151.8 | 166.6 | -66.2 | -165.3 | 173.3 | -162.6 | -0.2 | 111.2 | I179 G199 | I179-R194 HydrophobicContact CG2-CG 3.55Å; R194-G199 CarbonylContact C-O 3.51Å; R194-G199 WeakPolarHBondContact CA-O 3.33Å |
| 195 | Y | 85.1 | Confident | 89.5 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 131.6 | 173.2 | 171.1 | -102.9 | 0 | 0 | 0 | 109.9 | L20 G199 K201 | L20-Y195 HydrophobicContact CD2-CD1 4.28Å; L20-Y195 HydrophobicContact CD2-CE1 3.94Å; Y195-G199 PolarHBondContact N-O 3.42Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.71Å; Y195-G199 VanDerWaalsContact O-N 3.09Å; Y195-K201 HydrophobicContact CD2-CD 4.37Å; Y195-K201 HydrophobicContact CG-CD 4.18Å |
| 196 | G | 79.7 | Confident | 89.7 | Confident | 66 Ų | 66 | 53 Ų | 53 | 68% | 0.68 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -153.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | G198 | G196-G198 PolarHBondContact O-N 3.01Š|
| 197 | N | 73.9 | Confident | 89.8 | Confident | 159 Ų | 159 | 49.9 Ų | 49.9 | 85% | 0.85 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 81.2 | -177.2 | -160.3 | 12.8 | 0 | 0 | 0 | 111.3 | ||
| 198 | G | 73.3 | Confident | 89.9 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -2.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G196 | G196-G198 PolarHBondContact O-N 3.01Š|
| 199 | G | 82.6 | Confident | 89.9 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 157.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R194 Y195 | R194-G199 CarbonylContact C-O 3.51Å; R194-G199 WeakPolarHBondContact CA-O 3.33Å; Y195-G199 PolarHBondContact N-O 3.42Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.71Å; Y195-G199 VanDerWaalsContact O-N 3.09Å |
| 200 | V | 89.1 | Confident | 89.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | F152 A167 C170 I179 C192 S193 | F152-V200 HydrophobicContact CD1-CB 4.27Å; F152-V200 HydrophobicContact CD1-CG1 4.09Å; F152-V200 HydrophobicContact CE1-CG1 4.27Å; F152-V200 WeakPolarHBondContact CE1-O 3.22Å; A167-V200 HydrophobicContact CB-CB 4.15Å; A167-V200 HydrophobicContact CB-CG2 3.45Å; A167-V200 VanDerWaalsContact CB-CG2 3.45Å; C170-V200 WeakPolarHBondContact SG-CG1 3.47Å; I179-V200 HydrophobicContact CD1-CG2 3.82Å; I179-V200 HydrophobicContact CG1-CG2 4.1Å; C192-V200 WeakPolarHBondContact SG-CG1 3.12Å; S193-V200 CarbonylContact O-C 3.59Å; S193-V200 WeakPolarHBondContact O-CA 3.46Å |
| 201 | K | 91.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.3 | 177.3 | 65.5 | 178.3 | -179.4 | -179.4 | 0 | 111.5 | L20 S193 Y195 I203 | L20-K201 HydrophobicContact CD1-CB 4.5Å; L20-K201 HydrophobicContact CD1-CD 3.84Å; L20-K201 HydrophobicContact CG-CB 4.36Å; L20-K201 HydrophobicContact CG-CD 4.2Å; S193-K201 PolarHBondContact N-O 3.39Å; S193-K201 PolarHBondContact O-N 2.93Å; Y195-K201 HydrophobicContact CD2-CD 4.37Å; Y195-K201 HydrophobicContact CG-CD 4.18Å; K201-I203 HydrophobicContact CD-CD1 4.41Å; K201-I203 HydrophobicContact CD-CG1 4.19Å; K201-I203 HydrophobicContact CG-CD1 4.36Å; K201-I203 HydrophobicContact CG-CG1 3.97Å |
| 202 | V | 91.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.8 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | F152 C170 I172 Y190 | F152-V202 HydrophobicContact CE1-CG2 4.3Å; C170-V202 HydrophobicContact CB-CG2 3.77Å; I172-V202 HydrophobicContact CD1-CB 4.49Å; I172-V202 HydrophobicContact CD1-CG1 3.74Å; I172-V202 HydrophobicContact CD1-CG2 4.03Å; I172-V202 HydrophobicContact CG1-CG1 4.01Å; I172-V202 HydrophobicContact CG1-CG2 3.81Å; I172-V202 HydrophobicContact CG2-CG1 4.43Å; Y190-V202 HydrophobicContact CD1-CG1 4.01Å |
| 203 | I | 90.6 | Very high | 89.7 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.2 | 177.4 | -50.3 | 178.4 | 0 | 0 | 0 | 108 | Y190 K191 K201 M205 | Y190-I203 CarbonylContact C-O 3.51Å; Y190-I203 VanDerWaalsContact CA-O 3.24Å; Y190-I203 WeakPolarHBondContact CA-O 3.42Å; K191-I203 PolarHBondContact N-O 2.92Å; K191-I203 PolarHBondContact O-N 2.84Å; K201-I203 HydrophobicContact CD-CD1 4.41Å; K201-I203 HydrophobicContact CD-CG1 4.19Å; K201-I203 HydrophobicContact CG-CD1 4.36Å; K201-I203 HydrophobicContact CG-CG1 3.97Å; I203-M205 HydrophobicContact CB-SD 4Å; I203-M205 HydrophobicContact CG2-SD 3.7Å; I203-M205 PolarHBondContact O-N 3.03Å |
| 204 | I | 92.4 | Very high | 90 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.6 | 164.3 | -174.1 | 164.3 | 0 | 0 | 0 | 108 | F188 Y190 V237 | F188-I204 HydrophobicContact CB-CD1 3.86Å; F188-I204 HydrophobicContact CB-CG1 4.29Å; F188-I204 HydrophobicContact CD1-CD1 3.78Å; F188-I204 HydrophobicContact CD2-CD1 4.41Å; F188-I204 HydrophobicContact CE1-CD1 4.43Å; F188-I204 HydrophobicContact CG-CD1 3.76Å; Y190-I204 HydrophobicContact CD1-CB 3.98Å; Y190-I204 HydrophobicContact CD1-CG1 4.32Å; Y190-I204 HydrophobicContact CE1-CB 3.87Å; Y190-I204 HydrophobicContact CE1-CD1 4.04Å; Y190-I204 HydrophobicContact CE1-CG1 3.99Å; I204-V237 HydrophobicContact CD1-CB 3.81Å; I204-V237 HydrophobicContact CD1-CG2 4.34Å; I204-V237 HydrophobicContact CG1-CB 4.04Å; I204-V237 HydrophobicContact CG1-CG2 4.05Å; I204-V237 HydrophobicContact CG2-CG2 4.03Å |
| 205 | M | 93.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -26.5 | -172.1 | -62.6 | -64 | -54.1 | 0 | 0 | 112.3 | W189 K191 I203 A217 | W189-M205 HydrophobicContact CD2-CB 3.66Å; W189-M205 HydrophobicContact CD2-CG 4.47Å; W189-M205 VanDerWaalsContact CE2-CB 3.5Å; W189-M205 HydrophobicContact CE3-CB 3.51Å; W189-M205 HydrophobicContact CE3-CG 3.84Å; W189-M205 HydrophobicContact CH2-CB 3.14Å; W189-M205 HydrophobicContact CH2-CE 4.06Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.23Å; W189-M205 HydrophobicContact CZ2-CG 4.27Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 3.46Å; K191-M205 HydrophobicContact CB-CG 3.52Å; K191-M205 HydrophobicContact CB-SD 3.72Å; K191-M205 HydrophobicContact CD-SD 4.14Å; I203-M205 HydrophobicContact CB-SD 4Å; I203-M205 HydrophobicContact CG2-SD 3.7Å; I203-M205 PolarHBondContact O-N 3.03Å; M205-A217 WeakPolarHBondContact O-CB 3.3Å; M205-A217 PolarHBondContact O-N 3.49Å |
| 206 | G | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | -154.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F188 W189 I215 | F188-G206 WeakPolarHBondContact CA-O 3.42Å; W189-G206 PolarHBondContact N-O 2.86Å; W189-G206 VanDerWaalsContact N-O 3.11Å; G206-I215 CarbonylContact C-O 3.54Å; G206-I215 VanDerWaalsContact CA-O 3.27Å; G206-I215 WeakPolarHBondContact CA-O 3.36Å |
| 207 | C | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 158.6 | -168.7 | -54.4 | 0 | 0 | 0 | 0 | 111 | K187 W189 I215 Y221 C230 V237 I239 | K187-C207 CarbonylContact O-C 3.57Å; K187-C207 WeakPolarHBondContact O-CA 3.33Å; W189-C207 VanDerWaalsContact CD1-O 3.23Å; C207-I215 HydrophobicContact CB-CB 4.44Å; C207-I215 PolarHBondContact N-O 2.81Å; C207-I215 PolarHBondContact O-N 3.43Å; C207-Y221 HydrophobicContact CB-CE1 4.22Å; C207-C230 HydrophobicContact CB-CB 3.81Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 PolarHBondContact N-SG 2.91Å; C207-C230 WeakPolarHBondContact SG-CA 3.5Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.9Å; C207-V237 WeakPolarHBondContact SG-CG1 3.46Å; C207-I239 HydrophobicContact CB-CD1 4.12Å; C207-I239 HydrophobicContact CB-CG1 3.98Å; C207-I239 WeakPolarHBondContact SG-CG1 3.14Å |
| 208 | V | 96.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.3 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 108 | N184 K187 F188 W189 K213 | N184-V208 HydrophobicContact CB-CG2 4.27Å; K187-V208 PolarHBondContact O-N 3.41Å; F188-V208 VanDerWaalsContact C-CG2 3.47Å; W189-V208 HydrophobicContact CB-CG2 3.77Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; V208-K213 WeakPolarHBondContact CA-O 3.32Å |
| 209 | T | 94.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | trans | -67.9 | 166.1 | 176.6 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | S211 G212 K213 I215 Y221 D223 | T209-S211 PolarHBondContact O-N 2.78Å; T209-S211 VanDerWaalsContact O-N 3.15Å; T209-S211 PolarHBondContact OG1-N 2.81Å; T209-S211 PolarHBondContact OG1-OG 2.88Å; T209-G212 PolarHBondContact O-N 3.31Å; T209-G212 PolarHBondContact OG1-N 2.82Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.26Å; T209-K213 WeakPolarHBondContact OG1-CB 3.48Å; T209-K213 PolarHBondContact OG1-N 2.82Å; T209-I215 HydrophobicContact CG2-CD1 4.02Å; T209-I215 HydrophobicContact CG2-CG1 3.73Å; T209-Y221 HydrophobicContact CG2-CD2 3.66Å; T209-Y221 HydrophobicContact CG2-CE2 3.92Å; T209-D223 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 210 | S | 92.4 | Very high | 94.3 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.6 | 172.2 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | G212 D223 | S210-G212 VanDerWaalsContact C-N 3.33Å; S210-D223 WeakPolarHBondContact CB-OD1 3.43Å; S210-D223 PolarHBondContact N-OD2 2.73Å; S210-D223 PolarHBondContact OG-OD1 3.25Å |
| 211 | S | 93.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -0.2 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | T209 | T209-S211 PolarHBondContact O-N 2.78Å; T209-S211 VanDerWaalsContact O-N 3.15Å; T209-S211 PolarHBondContact OG1-N 2.81Å; T209-S211 PolarHBondContact OG1-OG 2.88Å |
| 212 | G | 93.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | trans | 85.8 | 4.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T209 S210 | T209-G212 PolarHBondContact O-N 3.31Å; T209-G212 PolarHBondContact OG1-N 2.82Å; S210-G212 VanDerWaalsContact C-N 3.33Å | ||
| 213 | K | 96 | Very high | 94.7 | Very high | 137 Ų | 137 | 54.4 Ų | 54.4 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | trans | -71.4 | 136 | 177.4 | -176.3 | -177.8 | 174.5 | -174.2 | 0 | 110.1 | V208 T209 I215 | V208-K213 WeakPolarHBondContact CA-O 3.32Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.26Å; T209-K213 WeakPolarHBondContact OG1-CB 3.48Å; T209-K213 PolarHBondContact OG1-N 2.82Å; K213-I215 HydrophobicContact CD-CD1 4.17Å; K213-I215 HydrophobicContact CG-CD1 4.3Å | ||
| 214 | R | 97.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 134.8 | 173.2 | -66.1 | 176.1 | 179.9 | 148.2 | 1.6 | 110.5 | N184 W189 | N184-R214 VanDerWaalsContact OD1-CZ 3.3Å; N184-R214 PolarHBondContact OD1-NE 3Å; N184-R214 PolarHBondContact OD1-NH2 3.04Å; W189-R214 HydrophobicContact CB-CG 4.16Å; W189-R214 HydrophobicContact CD2-CB 4.28Å; W189-R214 HydrophobicContact CD2-CG 4.04Å; W189-R214 HydrophobicContact CG-CB 4.2Å; W189-R214 HydrophobicContact CG-CG 3.75Å |
| 215 | I | 97.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.3 | 176.5 | -54.3 | -61 | 0 | 0 | 0 | 107.1 | W189 G206 C207 T209 K213 E219 Y221 C230 | W189-I215 PolarHBondContact NE1-O 2.81Å; G206-I215 CarbonylContact C-O 3.54Å; G206-I215 VanDerWaalsContact CA-O 3.27Å; G206-I215 WeakPolarHBondContact CA-O 3.36Å; C207-I215 HydrophobicContact CB-CB 4.44Å; C207-I215 PolarHBondContact N-O 2.81Å; C207-I215 PolarHBondContact O-N 3.43Å; T209-I215 HydrophobicContact CG2-CD1 4.02Å; T209-I215 HydrophobicContact CG2-CG1 3.73Å; K213-I215 HydrophobicContact CD-CD1 4.17Å; K213-I215 HydrophobicContact CG-CD1 4.3Å; I215-E219 HydrophobicContact CG2-CB 3.65Å; I215-Y221 HydrophobicContact CB-CD1 4.22Å; I215-Y221 HydrophobicContact CB-CG 4.44Å; I215-Y221 HydrophobicContact CD1-CG 4.2Å; I215-Y221 HydrophobicContact CG1-CD1 4.05Å; I215-Y221 HydrophobicContact CG1-CD2 4.15Å; I215-Y221 HydrophobicContact CG1-CG 3.78Å; I215-Y221 HydrophobicContact CG2-CD1 3.66Å; I215-Y221 HydrophobicContact CG2-CE1 4.36Å; I215-Y221 HydrophobicContact CG2-CG 4.09Å; I215-C230 HydrophobicContact CG2-CB 4.08Å |
| 216 | D | 96.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 152.3 | -178.5 | -72.5 | -4.5 | 0 | 0 | 0 | 110.5 | W189 G218 E219 | W189-D216 WeakPolarHBondContact CZ2-OD1 3.48Å; D216-G218 PolarHBondContact O-N 2.04Å; D216-E219 HydrophobicContact CB-CG 4.08Å; D216-E219 PolarHBondContact N-OE2 3.08Å; D216-E219 WeakPolarHBondContact O-CB 3.04Å; D216-E219 PolarHBondContact O-N 3.22Å; D216-E219 VanDerWaalsContact O-N 3.15Å |
| 217 | A | 94.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 132.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | M205 Q232 V237 | M205-A217 WeakPolarHBondContact O-CB 3.3Å; M205-A217 PolarHBondContact O-N 3.49Å; A217-Q232 HydrophobicContact CB-CB 4.22Å; A217-Q232 HydrophobicContact CB-CG 4.41Å; A217-V237 HydrophobicContact CB-CG2 3.77Å |
| 218 | G | 94.7 | Very high | 93.3 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -10.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D216 H229 C230 | D216-G218 PolarHBondContact O-N 2.04Å; G218-H229 PolarHBondContact O-NE2 2.89Å; G218-H229 VanDerWaalsContact O-NE2 3.17Å; G218-C230 PolarHBondContact N-O 3.03Å |
| 219 | E | 96.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | trans | -87.6 | 144 | -178.5 | -62.8 | -169.6 | 137.5 | 0 | 0 | 112.9 | I215 D216 H229 C230 | I215-E219 HydrophobicContact CG2-CB 3.65Å; D216-E219 HydrophobicContact CB-CG 4.08Å; D216-E219 PolarHBondContact N-OE2 3.08Å; D216-E219 WeakPolarHBondContact O-CB 3.04Å; D216-E219 PolarHBondContact O-N 3.22Å; D216-E219 VanDerWaalsContact O-N 3.15Å; E219-H229 PolarHBondContact O-CD2 3.14Å; E219-C230 WeakPolarHBondContact O-CB 2.99Å; E219-C230 PolarHBondContact O-N 2.8Å | ||
| 220 | K | 96.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 145.6 | 164.3 | -66.1 | -174.7 | -177 | 180 | 0 | 110 | L227 F228 H229 A242 N256 | K220-L227 HydrophobicContact CB-CD1 4.24Å; K220-L227 HydrophobicContact CD-CD2 4.1Å; K220-F228 CarbonylContact C-O 3.58Å; K220-F228 WeakPolarHBondContact CA-O 3.18Å; K220-H229 HydrophobicContact CG-CB 4.17Å; K220-A242 HydrophobicContact CD-CB 4.14Å; K220-A242 HydrophobicContact CG-CB 4.33Å; K220-N256 PolarHBondContact NZ-OD1 2.77Å |
| 221 | Y | 95.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154 | 179.9 | 66.4 | -82.8 | 0 | 0 | 0 | 111.7 | C207 T209 I215 D223 F228 C230 I239 | C207-Y221 HydrophobicContact CB-CE1 4.22Å; T209-Y221 HydrophobicContact CG2-CD2 3.66Å; T209-Y221 HydrophobicContact CG2-CE2 3.92Å; I215-Y221 HydrophobicContact CB-CD1 4.22Å; I215-Y221 HydrophobicContact CB-CG 4.44Å; I215-Y221 HydrophobicContact CD1-CG 4.2Å; I215-Y221 HydrophobicContact CG1-CD1 4.05Å; I215-Y221 HydrophobicContact CG1-CD2 4.15Å; I215-Y221 HydrophobicContact CG1-CG 3.78Å; I215-Y221 HydrophobicContact CG2-CD1 3.66Å; I215-Y221 HydrophobicContact CG2-CE1 4.36Å; I215-Y221 HydrophobicContact CG2-CG 4.09Å; Y221-D223 HydrophobicContact CD2-CB 4.13Å; Y221-D223 HydrophobicContact CE2-CB 3.93Å; Y221-F228 HydrophobicContact CD1-CB 4.11Å; Y221-F228 HydrophobicContact CD2-CB 4.3Å; Y221-F228 HydrophobicContact CE1-CB 3.66Å; Y221-F228 HydrophobicContact CE2-CB 3.86Å; Y221-F228 HydrophobicContact CE2-CD2 4.3Å; Y221-F228 HydrophobicContact CE2-CG 4.33Å; Y221-F228 HydrophobicContact CG-CB 4.43Å; Y221-F228 PolarHBondContact N-O 3.31Å; Y221-F228 PolarHBondContact O-N 2.88Å; Y221-C230 HydrophobicContact CD1-CB 4.37Å; Y221-C230 HydrophobicContact CE1-CB 4.02Å; Y221-I239 WeakPolarHBondContact OH-CD1 3.41Å; Y221-I239 WeakPolarHBondContact OH-CG1 3.44Å; Y221-I239 WeakPolarHBondContact OH-CG2 3.33Å |
| 222 | R | 93.7 | Very high | 93.4 | Very high | 114 Ų | 114 | 60.4 Ų | 60.4 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.4 | 177.6 | -56 | 179.6 | -170.2 | 173.4 | 0.3 | 109.4 | F226 L227 V245 E254 | R222-F226 WeakPolarHBondContact CA-O 3.48Å; R222-L227 HydrophobicContact CG-CD1 4.18Å; R222-V245 HydrophobicContact CG-CG2 3.96Å; R222-E254 IonicContact CZ-OE1 3.32Å; R222-E254 IonicContact NE-OE1 3.69Å; R222-E254 PolarHBondContact NE-OE1 3.04Å; R222-E254 IonicContact NH2-OE1 2.77Å; R222-E254 PolarHBondContact NH2-OE1 2.87Å |
| 223 | D | 89.4 | Confident | 92.9 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 137.2 | 171.8 | -158.2 | -5.7 | 0 | 0 | 0 | 108.9 | T209 S210 Y221 G225 F226 F228 | T209-D223 WeakPolarHBondContact CA-OD2 3.48Å; S210-D223 WeakPolarHBondContact CB-OD1 3.43Å; S210-D223 PolarHBondContact N-OD2 2.73Å; S210-D223 PolarHBondContact OG-OD1 3.25Å; Y221-D223 HydrophobicContact CD2-CB 4.13Å; Y221-D223 HydrophobicContact CE2-CB 3.93Å; D223-G225 VanDerWaalsContact C-N 3.3Å; D223-G225 PolarHBondContact O-N 3.07Å; D223-G225 VanDerWaalsContact O-N 3.07Å; D223-F226 PolarHBondContact N-O 3.47Å; D223-F226 VanDerWaalsContact N-O 3.13Å; D223-F226 PolarHBondContact O-N 2.5Å; D223-F228 HydrophobicContact CB-CD2 3.76Å; D223-F228 HydrophobicContact CB-CE2 3.85Å; D223-F228 WeakPolarHBondContact O-CE2 3.27Å |
| 224 | G | 79.4 | Confident | 91.8 | Very high | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | F226 | G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 WeakPolarHBondContact O-CD2 3.43Å; G224-F226 PolarHBondContact O-N 2.74Å |
| 225 | G | 78.6 | Confident | 90.3 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -0.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D223 | D223-G225 VanDerWaalsContact C-N 3.3Å; D223-G225 PolarHBondContact O-N 3.07Å; D223-G225 VanDerWaalsContact O-N 3.07Å |
| 226 | F | 89.5 | Confident | 89.5 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 163.2 | 178.3 | -59.2 | -77.1 | 0 | 0 | 0 | 111.4 | R222 D223 G224 F228 F241 V282 | R222-F226 WeakPolarHBondContact CA-O 3.48Å; D223-F226 PolarHBondContact N-O 3.47Å; D223-F226 VanDerWaalsContact N-O 3.13Å; D223-F226 PolarHBondContact O-N 2.5Å; G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 WeakPolarHBondContact O-CD2 3.43Å; G224-F226 PolarHBondContact O-N 2.74Å; F226-F228 HydrophobicContact CB-CD2 4.48Å; F226-F228 HydrophobicContact CB-CE2 3.9Å; F226-F228 HydrophobicContact CB-CZ 4.24Å; F226-F241 HydrophobicContact CB-CD1 4.25Å; F226-F241 HydrophobicContact CB-CE1 4.15Å; F226-F241 HydrophobicContact CD2-CE1 4.46Å; F226-F241 HydrophobicContact CG-CE1 4.17Å; F226-V282 HydrophobicContact CD1-CB 4.41Å; F226-V282 HydrophobicContact CD1-CG1 3.37Å; F226-V282 HydrophobicContact CD1-CG2 4.11Å; F226-V282 HydrophobicContact CE1-CG1 3.62Å; F226-V282 HydrophobicContact CE1-CG2 4.47Å; F226-V282 HydrophobicContact CG-CG1 4.05Å; F226-V282 HydrophobicContact CZ-CG1 4.48Å |
| 227 | L | 96.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.2 | 172.2 | -171.2 | 64.6 | 0 | 0 | 0 | 108.5 | K220 R222 A242 G243 V245 E254 | K220-L227 HydrophobicContact CB-CD1 4.24Å; K220-L227 HydrophobicContact CD-CD2 4.1Å; R222-L227 HydrophobicContact CG-CD1 4.18Å; L227-A242 HydrophobicContact CD2-CB 4.29Å; L227-A242 HydrophobicContact CG-CB 4.09Å; L227-A242 PolarHBondContact O-N 2.91Å; L227-G243 WeakPolarHBondContact CB-O 3.43Å; L227-G243 PolarHBondContact N-O 3.42Å; L227-G243 VanDerWaalsContact N-O 3.08Å; L227-G243 PolarHBondContact O-N 2.79Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-E254 HydrophobicContact CD1-CG 3.8Å; L227-E254 HydrophobicContact CD2-CB 3.88Å; L227-E254 HydrophobicContact CD2-CG 3.95Å; L227-E254 HydrophobicContact CG-CG 4.41Å |
| 228 | F | 97.1 | Very high | 89.2 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 158.4 | 175.7 | -67.9 | -84.4 | 0 | 0 | 0 | 110.6 | K220 Y221 D223 F226 I239 V240 F241 | K220-F228 CarbonylContact C-O 3.58Å; K220-F228 WeakPolarHBondContact CA-O 3.18Å; Y221-F228 HydrophobicContact CD1-CB 4.11Å; Y221-F228 HydrophobicContact CD2-CB 4.3Å; Y221-F228 HydrophobicContact CE1-CB 3.66Å; Y221-F228 HydrophobicContact CE2-CB 3.86Å; Y221-F228 HydrophobicContact CE2-CD2 4.3Å; Y221-F228 HydrophobicContact CE2-CG 4.33Å; Y221-F228 HydrophobicContact CG-CB 4.43Å; Y221-F228 PolarHBondContact N-O 3.31Å; Y221-F228 PolarHBondContact O-N 2.88Å; D223-F228 HydrophobicContact CB-CD2 3.76Å; D223-F228 HydrophobicContact CB-CE2 3.85Å; D223-F228 WeakPolarHBondContact O-CE2 3.27Å; F226-F228 HydrophobicContact CB-CD2 4.48Å; F226-F228 HydrophobicContact CB-CE2 3.9Å; F226-F228 HydrophobicContact CB-CZ 4.24Å; F228-I239 HydrophobicContact CB-CG2 4.23Å; F228-I239 HydrophobicContact CD1-CG2 3.58Å; F228-I239 HydrophobicContact CE1-CG2 4.26Å; F228-I239 HydrophobicContact CG-CG2 4.15Å; F228-V240 CarbonylContact C-O 3.59Å; F228-V240 VanDerWaalsContact CA-O 3.29Å; F228-V240 WeakPolarHBondContact CA-O 3.01Å; F228-F241 AromaticContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CE1 4.2Å; F228-F241 AromaticContact CE1-CD1 3.42Å; F228-F241 HydrophobicContact CE1-CD1 3.42Å; F228-F241 VanDerWaalsContact CE1-CD1 3.42Å; F228-F241 AromaticContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CG 4.24Å; F228-F241 AromaticContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE2-CE1 4.39Å; F228-F241 AromaticContact CZ-CD1 3.86Å; F228-F241 HydrophobicContact CZ-CD1 3.86Å; F228-F241 AromaticContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CZ 4.2Å |
| 229 | H | 97.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.8 | 169.1 | -178.8 | -174.2 | 0 | 0 | 0 | 108.7 | G218 E219 K220 K231 V240 A242 | G218-H229 PolarHBondContact O-NE2 2.89Å; G218-H229 VanDerWaalsContact O-NE2 3.17Å; E219-H229 PolarHBondContact O-CD2 3.14Å; K220-H229 HydrophobicContact CG-CB 4.17Å; H229-K231 PolarHBondContact O-N 2.85Å; H229-V240 HydrophobicContact CB-CG2 4Å; H229-V240 PolarHBondContact N-O 2.91Å; H229-V240 PolarHBondContact O-N 2.69Å; H229-A242 HydrophobicContact CB-CB 3.81Å |
| 230 | C | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 68.2 | 170.3 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | C207 I215 G218 E219 Y221 Q232 V237 R238 | C207-C230 HydrophobicContact CB-CB 3.81Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 PolarHBondContact N-SG 2.91Å; C207-C230 WeakPolarHBondContact SG-CA 3.5Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.9Å; I215-C230 HydrophobicContact CG2-CB 4.08Å; G218-C230 PolarHBondContact N-O 3.03Å; E219-C230 WeakPolarHBondContact O-CB 2.99Å; E219-C230 PolarHBondContact O-N 2.8Å; Y221-C230 HydrophobicContact CD1-CB 4.37Å; Y221-C230 HydrophobicContact CE1-CB 4.02Å; C230-Q232 PolarHBondContact O-N 3.22Å; C230-V237 WeakPolarHBondContact SG-CG1 3.48Å; C230-R238 CarbonylContact C-O 3.45Å |
| 231 | K | 95 | Very high | 89.2 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122.8 | -165.6 | -169.5 | 169.9 | -176.9 | 175.6 | 0 | 111.7 | H229 R238 V240 E279 | H229-K231 PolarHBondContact O-N 2.85Å; K231-R238 HydrophobicContact CB-CG 4.34Å; K231-R238 PolarHBondContact N-O 2.68Å; K231-R238 PolarHBondContact O-N 3.48Å; K231-V240 HydrophobicContact CB-CG2 4.03Å; K231-V240 HydrophobicContact CD-CG2 4.19Å; K231-E279 VanDerWaalsContact NZ-CD 3.28Å; K231-E279 IonicContact NZ-OE1 3.02Å; K231-E279 PolarHBondContact NZ-OE1 2.78Å; K231-E279 IonicContact NZ-OE2 2.79Å; K231-E279 PolarHBondContact NZ-OE2 2.86Å; K231-E279 VanDerWaalsContact NZ-OE2 3.14Å |
| 232 | Q | 89.9 | Confident | 89.3 | Confident | 137 Ų | 137 | 60.3 Ų | 60.3 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.6 | 171.7 | -165.8 | 172.1 | 36.4 | 0 | 0 | 110.6 | A217 C230 | A217-Q232 HydrophobicContact CB-CB 4.22Å; A217-Q232 HydrophobicContact CB-CG 4.41Å; C230-Q232 PolarHBondContact O-N 3.22Å |
| 233 | K | 82.3 | Confident | 89.4 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 47% | 0.47 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 166.5 | 168.4 | -75.9 | -162.6 | 168 | -168.9 | 0 | 109.2 | L235 G236 R238 | K233-L235 PolarHBondContact O-N 2.62Å; K233-G236 PolarHBondContact N-O 2.78Å; K233-G236 PolarHBondContact O-N 3.42Å; K233-G236 VanDerWaalsContact O-N 3.14Å; K233-R238 VanDerWaalsContact CE-CZ 3.44Å |
| 234 | D | 73.9 | Confident | 89.7 | Confident | 167 Ų | 167 | 53.7 Ų | 53.7 | 89% | 0.893 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.3 | -179.1 | -54.7 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 235 | L | 65.1 | Low | 90.4 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 67% | 0.665 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.1 | -173.8 | -62.4 | 176 | 0 | 0 | 0 | 114.5 | K233 | K233-L235 PolarHBondContact O-N 2.62Š|
| 236 | G | 81.2 | Confident | 91.1 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -156.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K233 | K233-G236 PolarHBondContact N-O 2.78Å; K233-G236 PolarHBondContact O-N 3.42Å; K233-G236 VanDerWaalsContact O-N 3.14Å |
| 237 | V | 91.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.4 | -176.5 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | F188 I204 C207 A217 C230 | F188-V237 HydrophobicContact CD1-CG1 4.28Å; F188-V237 HydrophobicContact CE1-CB 4.47Å; F188-V237 HydrophobicContact CE1-CG1 4.15Å; F188-V237 WeakPolarHBondContact CE1-O 3.3Å; I204-V237 HydrophobicContact CD1-CB 3.81Å; I204-V237 HydrophobicContact CD1-CG2 4.34Å; I204-V237 HydrophobicContact CG1-CB 4.04Å; I204-V237 HydrophobicContact CG1-CG2 4.05Å; I204-V237 HydrophobicContact CG2-CG2 4.03Å; C207-V237 WeakPolarHBondContact SG-CG1 3.46Å; A217-V237 HydrophobicContact CB-CG2 3.77Å; C230-V237 WeakPolarHBondContact SG-CG1 3.48Å |
| 238 | R | 92.6 | Very high | 91 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.7 | 171.7 | 65.9 | 174 | -169.8 | 177.8 | 6.2 | 110.9 | C230 K231 K233 V240 E279 | C230-R238 CarbonylContact C-O 3.45Å; K231-R238 HydrophobicContact CB-CG 4.34Å; K231-R238 PolarHBondContact N-O 2.68Å; K231-R238 PolarHBondContact O-N 3.48Å; K233-R238 VanDerWaalsContact CE-CZ 3.44Å; R238-V240 HydrophobicContact CG-CG1 4.06Å; R238-E279 IonicContact CZ-OE2 2.86Å; R238-E279 IonicContact NH2-OE2 2.72Å; R238-E279 PolarHBondContact NH2-OE2 2.85Å |
| 239 | I | 94.8 | Very high | 90.5 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.2 | 172.8 | -61.9 | 167.5 | 0 | 0 | 0 | 107.5 | K187 F188 C207 Y221 F228 | K187-I239 HydrophobicContact CB-CD1 3.71Å; K187-I239 HydrophobicContact CD-CD1 4.13Å; K187-I239 HydrophobicContact CG-CD1 4.48Å; F188-I239 HydrophobicContact CE1-CD1 4.3Å; F188-I239 HydrophobicContact CE1-CG1 4.11Å; C207-I239 HydrophobicContact CB-CD1 4.12Å; C207-I239 HydrophobicContact CB-CG1 3.98Å; C207-I239 WeakPolarHBondContact SG-CG1 3.14Å; Y221-I239 WeakPolarHBondContact OH-CD1 3.41Å; Y221-I239 WeakPolarHBondContact OH-CG1 3.44Å; Y221-I239 WeakPolarHBondContact OH-CG2 3.33Å; F228-I239 HydrophobicContact CB-CG2 4.23Å; F228-I239 HydrophobicContact CD1-CG2 3.58Å; F228-I239 HydrophobicContact CE1-CG2 4.26Å; F228-I239 HydrophobicContact CG-CG2 4.15Å |
| 240 | V | 95.8 | Very high | 90 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156.9 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 110 | F228 H229 K231 R238 E279 | F228-V240 CarbonylContact C-O 3.59Å; F228-V240 VanDerWaalsContact CA-O 3.29Å; F228-V240 WeakPolarHBondContact CA-O 3.01Å; H229-V240 HydrophobicContact CB-CG2 4Å; H229-V240 PolarHBondContact N-O 2.91Å; H229-V240 PolarHBondContact O-N 2.69Å; K231-V240 HydrophobicContact CB-CG2 4.03Å; K231-V240 HydrophobicContact CD-CG2 4.19Å; R238-V240 HydrophobicContact CG-CG1 4.06Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.11Å; V240-E279 WeakPolarHBondContact CB-O 3.29Å; V240-E279 HydrophobicContact CG1-CB 4.03Å; V240-E279 HydrophobicContact CG2-CB 4.36Å; V240-E279 HydrophobicContact CG2-CG 4.09Å |
| 241 | F | 97.4 | Very high | 89.7 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 21% | 0.211 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.9 | 167.7 | -66.5 | -70.6 | 0 | 0 | 0 | 110.1 | F226 F228 F257 N278 E279 E280 V282 | F226-F241 HydrophobicContact CB-CD1 4.25Å; F226-F241 HydrophobicContact CB-CE1 4.15Å; F226-F241 HydrophobicContact CD2-CE1 4.46Å; F226-F241 HydrophobicContact CG-CE1 4.17Å; F228-F241 AromaticContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CE1 4.2Å; F228-F241 AromaticContact CE1-CD1 3.42Å; F228-F241 HydrophobicContact CE1-CD1 3.42Å; F228-F241 VanDerWaalsContact CE1-CD1 3.42Å; F228-F241 AromaticContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CG 4.24Å; F228-F241 AromaticContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE2-CE1 4.39Å; F228-F241 AromaticContact CZ-CD1 3.86Å; F228-F241 HydrophobicContact CZ-CD1 3.86Å; F228-F241 AromaticContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CZ 4.2Å; F241-F257 HydrophobicContact CB-CZ 3.83Å; F241-N278 WeakPolarHBondContact CB-O 3.37Å; F241-E279 PolarHBondContact N-O 3.15Å; F241-E279 VanDerWaalsContact N-O 3.09Å; F241-E280 WeakPolarHBondContact CD2-O 3.1Å; F241-E280 WeakPolarHBondContact CE2-O 3.42Å; F241-V282 HydrophobicContact CB-CB 4.27Å; F241-V282 HydrophobicContact CB-CG1 4.36Å; F241-V282 HydrophobicContact CD1-CB 4.12Å; F241-V282 HydrophobicContact CD1-CG1 3.31Å; F241-V282 HydrophobicContact CD2-CG1 4.09Å; F241-V282 HydrophobicContact CE1-CG1 3.38Å; F241-V282 HydrophobicContact CE2-CG1 4.16Å; F241-V282 HydrophobicContact CG-CB 4.06Å; F241-V282 HydrophobicContact CG-CG1 3.67Å; F241-V282 HydrophobicContact CZ-CG1 3.83Å |
| 242 | A | 97.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -13.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K220 L227 H229 | K220-A242 HydrophobicContact CD-CB 4.14Å; K220-A242 HydrophobicContact CG-CB 4.33Å; L227-A242 HydrophobicContact CD2-CB 4.29Å; L227-A242 HydrophobicContact CG-CB 4.09Å; L227-A242 PolarHBondContact O-N 2.91Å; H229-A242 HydrophobicContact CB-CB 3.81Å |
| 243 | G | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -155.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L227 F255 C275 | L227-G243 WeakPolarHBondContact CB-O 3.43Å; L227-G243 PolarHBondContact N-O 3.42Å; L227-G243 VanDerWaalsContact N-O 3.08Å; L227-G243 PolarHBondContact O-N 2.79Å; G243-F255 CarbonylContact C-O 3.58Å; G243-F255 VanDerWaalsContact CA-O 3.23Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; G243-C275 VanDerWaalsContact C-SG 3.52Å |
| 244 | C | 95.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 153.3 | -172.2 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | F255 W261 C275 V282 | C244-F255 HydrophobicContact CB-CB 4.47Å; C244-F255 PolarHBondContact N-O 3.05Å; C244-F255 PolarHBondContact O-N 2.83Å; C244-W261 HydrophobicContact CB-CH2 3.9Å; C244-W261 HydrophobicContact CB-CZ3 4.07Å; C244-C275 HydrophobicContact CB-CB 3.74Å; C244-C275 WeakPolarHBondContact CB-SG 3.21Å; C244-C275 PolarHBondContact N-SG 3.26Å; C244-C275 WeakPolarHBondContact SG-CA 3.37Å; C244-C275 WeakPolarHBondContact SG-CB 3.49Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.34Å; C244-V282 VanDerWaalsContact SG-CG2 3.55Å |
| 245 | V | 95.1 | Very high | 91.4 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.2 | 170.8 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | R222 L227 L252 K253 E254 | R222-V245 HydrophobicContact CG-CG2 3.96Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; V245-L252 HydrophobicContact CG1-CD1 3.61Å; V245-L252 HydrophobicContact CG1-CD2 4.09Å; V245-L252 HydrophobicContact CG1-CG 3.74Å; V245-K253 WeakPolarHBondContact CA-O 3.44Å; V245-E254 HydrophobicContact CG2-CG 4.44Å |
| 246 | A | 93.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K253 F255 W261 | A246-K253 PolarHBondContact N-O 3.32Å; A246-K253 PolarHBondContact O-N 2.97Å; A246-F255 HydrophobicContact CB-CD2 4.18Å; A246-F255 HydrophobicContact CB-CE2 3.97Å; A246-W261 HydrophobicContact CB-CD2 3.92Å; A246-W261 HydrophobicContact CB-CG 4.3Å; A246-W261 HydrophobicContact CB-CH2 4.33Å; A246-W261 HydrophobicContact CB-CZ2 3.56Å |
| 247 | K | 92 | Very high | 93.6 | Very high | 132 Ų | 132 | 51.6 Ų | 51.6 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.3 | 173.3 | -71 | -175.4 | -178.5 | 177.4 | 0 | 109.7 | V251 L252 | K247-V251 CarbonylContact C-O 3.55Å; K247-V251 VanDerWaalsContact CA-O 3.32Å; K247-V251 WeakPolarHBondContact CA-O 3.39Å; K247-L252 HydrophobicContact CG-CB 4.4Å; K247-L252 HydrophobicContact CG-CD1 3.78Å |
| 248 | E | 91.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.5 | 171.5 | -165.1 | -171.1 | -138.4 | 0 | 0 | 108.4 | G250 V251 K253 F255 W261 Y262 | E248-G250 PolarHBondContact O-N 2.8Å; E248-G250 VanDerWaalsContact O-N 3.1Å; E248-V251 PolarHBondContact N-O 2.86Å; E248-V251 PolarHBondContact O-N 2.95Å; E248-K253 HydrophobicContact CB-CD 4.26Å; E248-K253 IonicContact OE2-NZ 2.65Å; E248-K253 PolarHBondContact OE2-NZ 3.38Å; E248-F255 HydrophobicContact CB-CZ 4.08Å; E248-W261 HydrophobicContact CB-CB 4.34Å; E248-W261 HydrophobicContact CG-CB 4.12Å; E248-Y262 PolarHBondContact OE1-N 2.95Å |
| 249 | F | 86.3 | Confident | 94 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32 | -173.3 | -52.1 | -69.5 | 0 | 0 | 0 | 114 | V251 | F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 2.96Å |
| 250 | G | 86.1 | Confident | 94.1 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -11.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E248 | E248-G250 PolarHBondContact O-N 2.8Å; E248-G250 VanDerWaalsContact O-N 3.1Å |
| 251 | V | 91.4 | Very high | 94.1 | Very high | 88 Ų | 88 | 53 Ų | 53 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.3 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | K247 E248 F249 K253 | K247-V251 CarbonylContact C-O 3.55Å; K247-V251 VanDerWaalsContact CA-O 3.32Å; K247-V251 WeakPolarHBondContact CA-O 3.39Å; E248-V251 PolarHBondContact N-O 2.86Å; E248-V251 PolarHBondContact O-N 2.95Å; F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 2.96Å; V251-K253 HydrophobicContact CG1-CG 4.22Å; V251-K253 PolarHBondContact O-N 2.98Å |
| 252 | L | 92.4 | Very high | 94 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 113.3 | 176 | -168.3 | 68.9 | 0 | 0 | 0 | 109.6 | V245 K247 | V245-L252 HydrophobicContact CG1-CD1 3.61Å; V245-L252 HydrophobicContact CG1-CD2 4.09Å; V245-L252 HydrophobicContact CG1-CG 3.74Å; K247-L252 HydrophobicContact CG-CB 4.4Å; K247-L252 HydrophobicContact CG-CD1 3.78Å |
| 253 | K | 94.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161.8 | -177.9 | -66.7 | -173.1 | -173.6 | 174.1 | 0 | 111.5 | V245 A246 E248 V251 F255 | V245-K253 WeakPolarHBondContact CA-O 3.44Å; A246-K253 PolarHBondContact N-O 3.32Å; A246-K253 PolarHBondContact O-N 2.97Å; E248-K253 HydrophobicContact CB-CD 4.26Å; E248-K253 IonicContact OE2-NZ 2.65Å; E248-K253 PolarHBondContact OE2-NZ 3.38Å; V251-K253 HydrophobicContact CG1-CG 4.22Å; V251-K253 PolarHBondContact O-N 2.98Å; K253-F255 HydrophobicContact CB-CE2 3.68Å; K253-F255 HydrophobicContact CB-CZ 3.69Å; K253-F255 HydrophobicContact CD-CZ 4.2Å |
| 254 | E | 95.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.7 | 175 | -74.4 | 168.9 | -151.2 | 0 | 0 | 109.3 | R222 L227 V245 | R222-E254 IonicContact CZ-OE1 3.32Å; R222-E254 IonicContact NE-OE1 3.69Å; R222-E254 PolarHBondContact NE-OE1 3.04Å; R222-E254 IonicContact NH2-OE1 2.77Å; R222-E254 PolarHBondContact NH2-OE1 2.87Å; L227-E254 HydrophobicContact CD1-CG 3.8Å; L227-E254 HydrophobicContact CD2-CB 3.88Å; L227-E254 HydrophobicContact CD2-CG 3.95Å; L227-E254 HydrophobicContact CG-CG 4.41Å; V245-E254 HydrophobicContact CG2-CG 4.44Å |
| 255 | F | 95.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.2 | -179.4 | -62.1 | -82 | 0 | 0 | 0 | 109.3 | G243 C244 A246 E248 K253 E259 W261 C275 | G243-F255 CarbonylContact C-O 3.58Å; G243-F255 VanDerWaalsContact CA-O 3.23Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; C244-F255 HydrophobicContact CB-CB 4.47Å; C244-F255 PolarHBondContact N-O 3.05Å; C244-F255 PolarHBondContact O-N 2.83Å; A246-F255 HydrophobicContact CB-CD2 4.18Å; A246-F255 HydrophobicContact CB-CE2 3.97Å; E248-F255 HydrophobicContact CB-CZ 4.08Å; K253-F255 HydrophobicContact CB-CE2 3.68Å; K253-F255 HydrophobicContact CB-CZ 3.69Å; K253-F255 HydrophobicContact CD-CZ 4.2Å; F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.42Å; F255-E259 HydrophobicContact CB-CB 4.25Å; F255-E259 HydrophobicContact CD1-CB 4.32Å; F255-W261 HydrophobicContact CB-CE3 4.06Å; F255-W261 HydrophobicContact CB-CZ3 4.14Å; F255-W261 HydrophobicContact CD1-CB 4.2Å; F255-W261 AromaticContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.04Å; F255-W261 AromaticContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CG 4.44Å; F255-W261 HydrophobicContact CD2-CZ3 4.22Å; F255-W261 HydrophobicContact CE1-CB 3.52Å; F255-W261 HydrophobicContact CE1-CE3 4.42Å; F255-W261 HydrophobicContact CE1-CG 4.34Å; F255-W261 HydrophobicContact CE2-CB 3.95Å; F255-W261 HydrophobicContact CE2-CD2 4.05Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.34Å; F255-W261 AromaticContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.37Å; F255-W261 HydrophobicContact CZ-CD2 4.35Å; F255-W261 HydrophobicContact CZ-CE3 4.49Å; F255-W261 AromaticContact CZ-CG 3.93Å; F255-W261 HydrophobicContact CZ-CG 3.93Å; F255-C275 HydrophobicContact CB-CB 4.33Å |
| 256 | N | 95.6 | Very high | 93 | Very high | 61 Ų | 61 | 71.4 Ų | 71.4 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 163.2 | 172.5 | -56.9 | -63 | 0 | 0 | 0 | 110.5 | K220 G258 E259 | K220-N256 PolarHBondContact NZ-OD1 2.77Å; N256-G258 PolarHBondContact O-N 3.37Å; N256-E259 HydrophobicContact CB-CG 4.19Å; N256-E259 PolarHBondContact N-OE2 2.86Å; N256-E259 PolarHBondContact ND2-OE1 2.79Å; N256-E259 PolarHBondContact ND2-OE2 2.83Å; N256-E259 WeakPolarHBondContact O-CB 3.34Å; N256-E259 PolarHBondContact O-N 2.84Å |
| 257 | F | 96.3 | Very high | 92.8 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 133.2 | 174.1 | -59.2 | -60.6 | 0 | 0 | 0 | 111.6 | F241 E259 C275 G277 N278 V282 | F241-F257 HydrophobicContact CB-CZ 3.83Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.4Å; F257-C275 WeakPolarHBondContact CA-O 3.01Å; F257-G277 VanDerWaalsContact CD1-C 3.49Å; F257-N278 VanDerWaalsContact CE2-C 3.41Å; F257-N278 WeakPolarHBondContact CE2-O 3.33Å; F257-N278 WeakPolarHBondContact CZ-O 3.15Å; F257-V282 HydrophobicContact CE1-CB 4.06Å; F257-V282 HydrophobicContact CE1-CG2 3.89Å |
| 258 | G | 96.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 63% | 0.629 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -15.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N256 C275 | N256-G258 PolarHBondContact O-N 3.37Å; G258-C275 PolarHBondContact N-O 2.88Å |
| 259 | E | 97.5 | Very high | 92.8 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | trans | -76.2 | 150 | 173 | -64.5 | 177.3 | 172.9 | 0 | 0 | 110.8 | F255 N256 F257 V274 C275 | F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.42Å; F255-E259 HydrophobicContact CB-CB 4.25Å; F255-E259 HydrophobicContact CD1-CB 4.32Å; N256-E259 HydrophobicContact CB-CG 4.19Å; N256-E259 PolarHBondContact N-OE2 2.86Å; N256-E259 PolarHBondContact ND2-OE1 2.79Å; N256-E259 PolarHBondContact ND2-OE2 2.83Å; N256-E259 WeakPolarHBondContact O-CB 3.34Å; N256-E259 PolarHBondContact O-N 2.84Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.4Å; E259-V274 WeakPolarHBondContact O-CA 3.35Å; E259-V274 WeakPolarHBondContact O-CG2 3.46Å; E259-C275 PolarHBondContact O-N 2.59Å | ||
| 260 | S | 96.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.9 | -178.6 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | R272 V273 | S260-R272 PolarHBondContact OG-NE 2.6Å; S260-V273 CarbonylContact C-O 3.6Å; S260-V273 WeakPolarHBondContact CA-O 3.2Å; S260-V273 WeakPolarHBondContact CB-O 3.07Å |
| 261 | W | 96.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162.3 | 177.1 | 66.9 | 95.5 | 0 | 0 | 0 | 111.6 | C244 A246 E248 F255 R272 V273 C275 A284 | C244-W261 HydrophobicContact CB-CH2 3.9Å; C244-W261 HydrophobicContact CB-CZ3 4.07Å; A246-W261 HydrophobicContact CB-CD2 3.92Å; A246-W261 HydrophobicContact CB-CG 4.3Å; A246-W261 HydrophobicContact CB-CH2 4.33Å; A246-W261 HydrophobicContact CB-CZ2 3.56Å; E248-W261 HydrophobicContact CB-CB 4.34Å; E248-W261 HydrophobicContact CG-CB 4.12Å; F255-W261 HydrophobicContact CB-CE3 4.06Å; F255-W261 HydrophobicContact CB-CZ3 4.14Å; F255-W261 HydrophobicContact CD1-CB 4.2Å; F255-W261 AromaticContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.04Å; F255-W261 AromaticContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CG 4.44Å; F255-W261 HydrophobicContact CD2-CZ3 4.22Å; F255-W261 HydrophobicContact CE1-CB 3.52Å; F255-W261 HydrophobicContact CE1-CE3 4.42Å; F255-W261 HydrophobicContact CE1-CG 4.34Å; F255-W261 HydrophobicContact CE2-CB 3.95Å; F255-W261 HydrophobicContact CE2-CD2 4.05Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.34Å; F255-W261 AromaticContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.37Å; F255-W261 HydrophobicContact CZ-CD2 4.35Å; F255-W261 HydrophobicContact CZ-CE3 4.49Å; F255-W261 AromaticContact CZ-CG 3.93Å; F255-W261 HydrophobicContact CZ-CG 3.93Å; W261-R272 WeakPolarHBondContact O-CA 3.34Å; W261-V273 HydrophobicContact CD2-CB 4.17Å; W261-V273 HydrophobicContact CH2-CB 4.2Å; W261-V273 HydrophobicContact CH2-CG1 3.55Å; W261-V273 HydrophobicContact CZ2-CB 3.73Å; W261-V273 HydrophobicContact CZ2-CG1 3.32Å; W261-V273 HydrophobicContact CZ3-CG1 4.25Å; W261-V273 PolarHBondContact N-O 2.83Å; W261-V273 PolarHBondContact O-N 2.75Å; W261-C275 HydrophobicContact CZ3-CB 3.95Å; W261-A284 HydrophobicContact CH2-CB 3.8Å; W261-A284 HydrophobicContact CZ2-CB 4.03Å |
| 262 | Y | 95 | Very high | 93.9 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.8 | 173 | -63.5 | -77.7 | 0 | 0 | 0 | 110.9 | E248 Y271 R272 I290 | E248-Y262 PolarHBondContact OE1-N 2.95Å; Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; Y262-R272 HydrophobicContact CD1-CB 4.01Å; Y262-R272 HydrophobicContact CD1-CG 4.29Å; Y262-R272 HydrophobicContact CE1-CB 3.89Å; Y262-R272 HydrophobicContact CE1-CG 4.02Å; Y262-I290 HydrophobicContact CD1-CD1 3.29Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å |
| 263 | T | 93.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 60 Ų | 60 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 157.9 | 172.8 | 69 | 0 | 0 | 0 | 0 | 110.3 | Y271 V273 | T263-Y271 PolarHBondContact N-O 3Å; T263-Y271 PolarHBondContact OG1-N 3.36Å; T263-Y271 PolarHBondContact OG1-O 3.4Å; T263-V273 HydrophobicContact CG2-CG2 3.59Å |
| 264 | R | 90.9 | Very high | 94.2 | Very high | 171 Ų | 171 | 57.2 Ų | 57.2 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -58 | 134.8 | 166.3 | -175.7 | 179.2 | -68.9 | -179.1 | -5.3 | 109.1 | ||
| 265 | P | 90.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61 | 136.2 | 173 | -23.6 | 33.8 | 0 | 0 | 0 | 112.1 | L269 | P265-L269 CarbonylContact C-O 3.53Å; P265-L269 VanDerWaalsContact CA-O 3.27Å; P265-L269 WeakPolarHBondContact CA-O 3.47Å |
| 266 | V | 87 | Confident | 94.3 | Very high | 119 Ų | 119 | 53.7 Ų | 53.7 | 72% | 0.721 | 31% | 0.307 | S | S | * | . | B | Isolated β-bridge | trans | -107.7 | 101.2 | 166.8 | -178.2 | 0 | 0 | 0 | 0 | 106.1 | S268 L269 | V266-S268 PolarHBondContact O-N 3.13Å; V266-L269 PolarHBondContact N-O 2.74Å; V266-L269 PolarHBondContact O-N 3.18Å |
| 267 | G | 89.5 | Confident | 94.3 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 77% | 0.773 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -126.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 268 | S | 89.6 | Confident | 94.3 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0 | 178 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | V266 N292 M293 | V266-S268 PolarHBondContact O-N 3.13Å; S268-N292 VanDerWaalsContact CB-O 3.32Å; S268-N292 WeakPolarHBondContact CB-O 3.32Å; S268-N292 PolarHBondContact O-N 3.32Å; S268-M293 WeakPolarHBondContact OG-CG 3.48Å; S268-M293 PolarHBondContact OG-SD 2.65Å |
| 269 | L | 93.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.4 | -174.1 | -64.3 | 177 | 0 | 0 | 0 | 111.2 | P265 V266 I290 A291 F314 A326 F328 | P265-L269 CarbonylContact C-O 3.53Å; P265-L269 VanDerWaalsContact CA-O 3.27Å; P265-L269 WeakPolarHBondContact CA-O 3.47Å; V266-L269 PolarHBondContact N-O 2.74Å; V266-L269 PolarHBondContact O-N 3.18Å; L269-I290 CarbonylContact C-O 3.56Å; L269-I290 WeakPolarHBondContact CA-O 3.37Å; L269-A291 HydrophobicContact CD2-CB 4.22Å; L269-F314 HydrophobicContact CD2-CD2 4.4Å; L269-F314 HydrophobicContact CD2-CE2 3.65Å; L269-F314 HydrophobicContact CD2-CZ 4.25Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.01Å; L269-A326 HydrophobicContact CD2-CB 4.22Å; L269-F328 HydrophobicContact CD2-CD2 4.2Å; L269-F328 HydrophobicContact CD2-CE2 3.52Å; L269-F328 HydrophobicContact CD2-CZ 4.21Å; L269-F328 HydrophobicContact CG-CE2 4.22Å |
| 270 | S | 94.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 171.2 | 171.9 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | I290 | S270-I290 PolarHBondContact N-O 3.43Å; S270-I290 PolarHBondContact O-N 2.92Å; S270-I290 WeakPolarHBondContact OG-CB 3.43Å |
| 271 | Y | 96 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.2 Ų | 59.2 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.2 | -178 | -55.9 | -83.7 | 0 | 0 | 0 | 110 | Y262 T263 V286 E288 C289 A326 | Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; T263-Y271 PolarHBondContact N-O 3Å; T263-Y271 PolarHBondContact OG1-N 3.36Å; T263-Y271 PolarHBondContact OG1-O 3.4Å; Y271-V286 HydrophobicContact CD1-CG1 3.68Å; Y271-V286 HydrophobicContact CD1-CG2 4.5Å; Y271-V286 HydrophobicContact CG-CG1 4.24Å; Y271-E288 WeakPolarHBondContact CA-O 3.44Å; Y271-C289 HydrophobicContact CD1-CB 4.4Å; Y271-A326 HydrophobicContact CE1-CB 3.62Å; Y271-A326 PolarHBondContact OH-N 2.72Å |
| 272 | R | 97 | Very high | 94.1 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125 | 159.8 | -174 | 170.1 | 144.5 | -139.5 | -3.5 | 108.3 | S260 W261 Y262 I287 E288 I290 | S260-R272 PolarHBondContact OG-NE 2.6Å; W261-R272 WeakPolarHBondContact O-CA 3.34Å; Y262-R272 HydrophobicContact CD1-CB 4.01Å; Y262-R272 HydrophobicContact CD1-CG 4.29Å; Y262-R272 HydrophobicContact CE1-CB 3.89Å; Y262-R272 HydrophobicContact CE1-CG 4.02Å; R272-I287 HydrophobicContact CB-CG1 4.35Å; R272-I287 HydrophobicContact CG-CD1 4.17Å; R272-I287 HydrophobicContact CG-CG1 4.19Å; R272-I287 VanDerWaalsContact O-CG1 3.31Å; R272-I287 WeakPolarHBondContact O-CG1 3.05Å; R272-I287 PolarHBondContact O-N 2.04Å; R272-E288 HydrophobicContact CB-CB 4.11Å; R272-E288 WeakPolarHBondContact CD-OE2 3.48Å; R272-E288 IonicContact CZ-OE2 2.78Å; R272-E288 PolarHBondContact N-O 3.3Å; R272-E288 IonicContact NE-OE2 3.56Å; R272-E288 IonicContact NH1-OE1 3.91Å; R272-E288 PolarHBondContact NH1-OE1 3.27Å; R272-E288 IonicContact NH1-OE2 3.81Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.79Å; R272-I290 HydrophobicContact CB-CD1 4.31Å |
| 273 | V | 96.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.8 | -176.3 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | S260 W261 T263 A284 E285 V286 | S260-V273 CarbonylContact C-O 3.6Å; S260-V273 WeakPolarHBondContact CA-O 3.2Å; S260-V273 WeakPolarHBondContact CB-O 3.07Å; W261-V273 HydrophobicContact CD2-CB 4.17Å; W261-V273 HydrophobicContact CH2-CB 4.2Å; W261-V273 HydrophobicContact CH2-CG1 3.55Å; W261-V273 HydrophobicContact CZ2-CB 3.73Å; W261-V273 HydrophobicContact CZ2-CG1 3.32Å; W261-V273 HydrophobicContact CZ3-CG1 4.25Å; W261-V273 PolarHBondContact N-O 2.83Å; W261-V273 PolarHBondContact O-N 2.75Å; T263-V273 HydrophobicContact CG2-CG2 3.59Å; V273-A284 HydrophobicContact CG1-CB 3.86Å; V273-E285 CarbonylContact C-O 3.56Å; V273-E285 VanDerWaalsContact CA-O 3.28Å; V273-E285 WeakPolarHBondContact CA-O 3.49Å; V273-E285 WeakPolarHBondContact CG1-O 2.99Å; V273-V286 HydrophobicContact CG2-CG2 4.1Å |
| 274 | V | 96.8 | Very high | 94 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.2 | 174.5 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | E259 A276 E285 I287 | E259-V274 WeakPolarHBondContact O-CA 3.35Å; E259-V274 WeakPolarHBondContact O-CG2 3.46Å; V274-A276 PolarHBondContact O-N 3.19Å; V274-E285 HydrophobicContact CG1-CB 4.1Å; V274-E285 PolarHBondContact N-O 2.82Å; V274-E285 PolarHBondContact O-N 2.81Å; V274-I287 HydrophobicContact CB-CD1 4.17Å; V274-I287 HydrophobicContact CB-CG2 4.21Å; V274-I287 HydrophobicContact CG1-CG2 3.55Å |
| 275 | C | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 103.1 | 167.1 | -166.3 | 0 | 0 | 0 | 0 | 108.9 | G243 C244 F255 F257 G258 E259 W261 | G243-C275 VanDerWaalsContact C-SG 3.52Å; C244-C275 HydrophobicContact CB-CB 3.74Å; C244-C275 WeakPolarHBondContact CB-SG 3.21Å; C244-C275 PolarHBondContact N-SG 3.26Å; C244-C275 WeakPolarHBondContact SG-CA 3.37Å; C244-C275 WeakPolarHBondContact SG-CB 3.49Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.34Å; F255-C275 HydrophobicContact CB-CB 4.33Å; F257-C275 WeakPolarHBondContact CA-O 3.01Å; G258-C275 PolarHBondContact N-O 2.88Å; E259-C275 PolarHBondContact O-N 2.59Å; W261-C275 HydrophobicContact CZ3-CB 3.95Å |
| 276 | A | 96.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 152.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V274 V282 T283 E285 | V274-A276 PolarHBondContact O-N 3.19Å; A276-V282 WeakPolarHBondContact O-CA 3.49Å; A276-T283 WeakPolarHBondContact CB-OG1 3.4Å; A276-T283 PolarHBondContact N-O 2.74Å; A276-T283 PolarHBondContact O-N 2.6Å; A276-E285 HydrophobicContact CB-CG 4.08Å |
| 277 | G | 95.8 | Very high | 95 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | -157.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F257 T281 | F257-G277 VanDerWaalsContact CD1-C 3.49Å; G277-T281 CarbonylContact C-O 3.51Å; G277-T281 VanDerWaalsContact CA-O 3.27Å; G277-T281 WeakPolarHBondContact CA-O 3.44Å |
| 278 | N | 96.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | trans | -158.9 | -165 | -173.8 | 61.4 | 38.1 | 0 | 0 | 0 | 110.5 | F241 F257 E280 T281 | F241-N278 WeakPolarHBondContact CB-O 3.37Å; F257-N278 VanDerWaalsContact CE2-C 3.41Å; F257-N278 WeakPolarHBondContact CE2-O 3.33Å; F257-N278 WeakPolarHBondContact CZ-O 3.15Å; N278-E280 PolarHBondContact O-N 2.94Å; N278-E280 WeakPolarHBondContact OD1-CA 2.94Å; N278-E280 WeakPolarHBondContact OD1-CB 3.37Å; N278-E280 PolarHBondContact OD1-N 3.48Å; N278-T281 PolarHBondContact N-O 2.73Å; N278-T281 PolarHBondContact OD1-N 2.75Å; N278-T281 VanDerWaalsContact OD1-N 3.15Å | ||
| 279 | E | 95.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 29% | 0.29 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -61.5 | -15.1 | -178.7 | -71.5 | -164.4 | 172.9 | 0 | 0 | 115.1 | K231 R238 V240 F241 | K231-E279 VanDerWaalsContact NZ-CD 3.28Å; K231-E279 IonicContact NZ-OE1 3.02Å; K231-E279 PolarHBondContact NZ-OE1 2.78Å; K231-E279 IonicContact NZ-OE2 2.79Å; K231-E279 PolarHBondContact NZ-OE2 2.86Å; K231-E279 VanDerWaalsContact NZ-OE2 3.14Å; R238-E279 IonicContact CZ-OE2 2.86Å; R238-E279 IonicContact NH2-OE2 2.72Å; R238-E279 PolarHBondContact NH2-OE2 2.85Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.11Å; V240-E279 WeakPolarHBondContact CB-O 3.29Å; V240-E279 HydrophobicContact CG1-CB 4.03Å; V240-E279 HydrophobicContact CG2-CB 4.36Å; V240-E279 HydrophobicContact CG2-CG 4.09Å; F241-E279 PolarHBondContact N-O 3.15Å; F241-E279 VanDerWaalsContact N-O 3.09Å |
| 280 | E | 95.4 | Very high | 95.9 | Very high | 160 Ų | 160 | 46.5 Ų | 46.5 | 75% | 0.748 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -107.6 | -34.7 | -175.6 | -58.4 | -178.3 | 173.5 | 0 | 0 | 113.2 | F241 N278 | F241-E280 WeakPolarHBondContact CD2-O 3.1Å; F241-E280 WeakPolarHBondContact CE2-O 3.42Å; N278-E280 PolarHBondContact O-N 2.94Å; N278-E280 WeakPolarHBondContact OD1-CA 2.94Å; N278-E280 WeakPolarHBondContact OD1-CB 3.37Å; N278-E280 PolarHBondContact OD1-N 3.48Å |
| 281 | T | 96.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | trans | -134 | 148.2 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | G277 N278 | G277-T281 CarbonylContact C-O 3.51Å; G277-T281 VanDerWaalsContact CA-O 3.27Å; G277-T281 WeakPolarHBondContact CA-O 3.44Å; N278-T281 PolarHBondContact N-O 2.73Å; N278-T281 PolarHBondContact OD1-N 2.75Å; N278-T281 VanDerWaalsContact OD1-N 3.15Å | ||
| 282 | V | 95.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 134.4 | 176.7 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | F226 F241 C244 F257 A276 | F226-V282 HydrophobicContact CD1-CB 4.41Å; F226-V282 HydrophobicContact CD1-CG1 3.37Å; F226-V282 HydrophobicContact CD1-CG2 4.11Å; F226-V282 HydrophobicContact CE1-CG1 3.62Å; F226-V282 HydrophobicContact CE1-CG2 4.47Å; F226-V282 HydrophobicContact CG-CG1 4.05Å; F226-V282 HydrophobicContact CZ-CG1 4.48Å; F241-V282 HydrophobicContact CB-CB 4.27Å; F241-V282 HydrophobicContact CB-CG1 4.36Å; F241-V282 HydrophobicContact CD1-CB 4.12Å; F241-V282 HydrophobicContact CD1-CG1 3.31Å; F241-V282 HydrophobicContact CD2-CG1 4.09Å; F241-V282 HydrophobicContact CE1-CG1 3.38Å; F241-V282 HydrophobicContact CE2-CG1 4.16Å; F241-V282 HydrophobicContact CG-CB 4.06Å; F241-V282 HydrophobicContact CG-CG1 3.67Å; F241-V282 HydrophobicContact CZ-CG1 3.83Å; C244-V282 VanDerWaalsContact SG-CG2 3.55Å; F257-V282 HydrophobicContact CE1-CB 4.06Å; F257-V282 HydrophobicContact CE1-CG2 3.89Å; A276-V282 WeakPolarHBondContact O-CA 3.49Å |
| 283 | T | 93.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 148.1 | 176 | 51.5 | 0 | 0 | 0 | 0 | 110 | A276 E285 | A276-T283 WeakPolarHBondContact CB-OG1 3.4Å; A276-T283 PolarHBondContact N-O 2.74Å; A276-T283 PolarHBondContact O-N 2.6Å; T283-E285 PolarHBondContact OG1-OE1 3Å |
| 284 | A | 92.7 | Very high | 94.5 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | W261 V273 | W261-A284 HydrophobicContact CH2-CB 3.8Å; W261-A284 HydrophobicContact CZ2-CB 4.03Å; V273-A284 HydrophobicContact CG1-CB 3.86Å |
| 285 | E | 94.6 | Very high | 93.8 | Very high | 96 Ų | 96 | 57 Ų | 57 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.1 | -170 | -67.9 | -178.5 | -167.1 | 0 | 0 | 111.3 | V273 V274 A276 T283 I287 | V273-E285 CarbonylContact C-O 3.56Å; V273-E285 VanDerWaalsContact CA-O 3.28Å; V273-E285 WeakPolarHBondContact CA-O 3.49Å; V273-E285 WeakPolarHBondContact CG1-O 2.99Å; V274-E285 HydrophobicContact CG1-CB 4.1Å; V274-E285 PolarHBondContact N-O 2.82Å; V274-E285 PolarHBondContact O-N 2.81Å; A276-E285 HydrophobicContact CB-CG 4.08Å; T283-E285 PolarHBondContact OG1-OE1 3Å; E285-I287 PolarHBondContact O-N 3.28Å |
| 286 | V | 96.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 125.1 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | Y271 V273 V302 V324 | Y271-V286 HydrophobicContact CD1-CG1 3.68Å; Y271-V286 HydrophobicContact CD1-CG2 4.5Å; Y271-V286 HydrophobicContact CG-CG1 4.24Å; V273-V286 HydrophobicContact CG2-CG2 4.1Å; V286-V302 HydrophobicContact CG1-CG2 4.08Å; V286-V302 VanDerWaalsContact O-CG2 3.23Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; V286-V324 HydrophobicContact CB-CB 3.88Å; V286-V324 HydrophobicContact CB-CG1 4.17Å; V286-V324 HydrophobicContact CB-CG2 3.99Å; V286-V324 HydrophobicContact CG1-CB 3.94Å; V286-V324 HydrophobicContact CG1-CG1 3.66Å; V286-V324 HydrophobicContact CG1-CG2 4.38Å; V286-V324 HydrophobicContact CG2-CB 4.26Å |
| 287 | I | 97.2 | Very high | 93.1 | Very high | 52 Ų | 52 | 64.2 Ų | 64.2 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -26.9 | 179.3 | 53.6 | 165.6 | 0 | 0 | 0 | 113 | R272 V274 E285 K301 V302 | R272-I287 HydrophobicContact CB-CG1 4.35Å; R272-I287 HydrophobicContact CG-CD1 4.17Å; R272-I287 HydrophobicContact CG-CG1 4.19Å; R272-I287 VanDerWaalsContact O-CG1 3.31Å; R272-I287 WeakPolarHBondContact O-CG1 3.05Å; R272-I287 PolarHBondContact O-N 2.04Å; V274-I287 HydrophobicContact CB-CD1 4.17Å; V274-I287 HydrophobicContact CB-CG2 4.21Å; V274-I287 HydrophobicContact CG1-CG2 3.55Å; E285-I287 PolarHBondContact O-N 3.28Å; I287-K301 WeakPolarHBondContact O-CA 3.4Å; I287-V302 PolarHBondContact O-N 2.74Å |
| 288 | E | 98 | Very high | 93 | Very high | 34 Ų | 34 | 66.7 Ų | 66.7 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 144.2 | 178.1 | -60.7 | 171.2 | 164.8 | 0 | 0 | 110.8 | Y271 R272 V299 I300 K301 | Y271-E288 WeakPolarHBondContact CA-O 3.44Å; R272-E288 HydrophobicContact CB-CB 4.11Å; R272-E288 WeakPolarHBondContact CD-OE2 3.48Å; R272-E288 IonicContact CZ-OE2 2.78Å; R272-E288 PolarHBondContact N-O 3.3Å; R272-E288 IonicContact NE-OE2 3.56Å; R272-E288 IonicContact NH1-OE1 3.91Å; R272-E288 PolarHBondContact NH1-OE1 3.27Å; R272-E288 IonicContact NH1-OE2 3.81Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.79Å; E288-V299 HydrophobicContact CB-CG1 3.82Å; E288-V299 HydrophobicContact CG-CG1 4.13Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.2Å; E288-I300 CarbonylContact C-O 3.6Å; E288-I300 WeakPolarHBondContact CA-O 3.39Å; E288-I300 WeakPolarHBondContact CB-O 3.48Å; E288-K301 HydrophobicContact CG-CG 4.36Å |
| 289 | C | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 142.4 | 166.6 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | Y271 V299 I300 F314 C316 A326 | Y271-C289 HydrophobicContact CD1-CB 4.4Å; C289-V299 WeakPolarHBondContact O-CA 3.22Å; C289-I300 HydrophobicContact CB-CG1 4.46Å; C289-I300 PolarHBondContact N-O 3.25Å; C289-I300 PolarHBondContact O-N 3.35Å; C289-F314 HydrophobicContact CB-CE1 4.41Å; C289-F314 HydrophobicContact CB-CE2 4.36Å; C289-F314 HydrophobicContact CB-CZ 3.66Å; C289-C316 HydrophobicContact CB-CB 3.46Å; C289-C316 VanDerWaalsContact CB-CB 3.46Å; C289-C316 WeakPolarHBondContact CB-SG 3.12Å; C289-C316 PolarHBondContact N-SG 3.23Å; C289-C316 VanDerWaalsContact N-SG 3.37Å; C289-C316 VanDerWaalsContact SG-CA 3.52Å; C289-C316 WeakPolarHBondContact SG-CB 3.11Å; C289-C316 CovalentContact SG-SG 2.02Å; C289-C316 PolarHBondContact SG-SG 3.06Å; C289-A326 HydrophobicContact CB-CB 3.74Å |
| 290 | I | 96.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.2 | -172.3 | -55.1 | 164.7 | 0 | 0 | 0 | 108.8 | Y262 L269 S270 R272 R297 K298 V299 | Y262-I290 HydrophobicContact CD1-CD1 3.29Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; L269-I290 CarbonylContact C-O 3.56Å; L269-I290 WeakPolarHBondContact CA-O 3.37Å; S270-I290 PolarHBondContact N-O 3.43Å; S270-I290 PolarHBondContact O-N 2.92Å; S270-I290 WeakPolarHBondContact OG-CB 3.43Å; R272-I290 HydrophobicContact CB-CD1 4.31Å; I290-R297 HydrophobicContact CG2-CG 4.13Å; I290-K298 WeakPolarHBondContact CA-O 3.23Å; I290-V299 HydrophobicContact CG1-CG1 4.15Å; I290-V299 HydrophobicContact CG1-CG2 4.13Å; I290-V299 HydrophobicContact CG2-CG2 4.25Å |
| 291 | A | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L269 R297 K298 Y308 F314 F328 | L269-A291 HydrophobicContact CD2-CB 4.22Å; A291-R297 CarbonylContact O-C 3.46Å; A291-R297 VanDerWaalsContact O-CA 3.31Å; A291-R297 WeakPolarHBondContact O-CA 3.47Å; A291-K298 HydrophobicContact CB-CB 4.47Å; A291-K298 PolarHBondContact N-O 3.49Å; A291-K298 PolarHBondContact O-N 2.83Å; A291-Y308 HydrophobicContact CB-CD2 4.31Å; A291-Y308 HydrophobicContact CB-CE2 3.84Å; A291-F314 HydrophobicContact CB-CD1 3.92Å; A291-F314 HydrophobicContact CB-CD2 4.2Å; A291-F314 HydrophobicContact CB-CE1 3.7Å; A291-F314 HydrophobicContact CB-CE2 4.02Å; A291-F314 HydrophobicContact CB-CG 4.18Å; A291-F314 HydrophobicContact CB-CZ 3.76Å; A291-F328 HydrophobicContact CB-CE1 4.24Å; A291-F328 HydrophobicContact CB-CE2 4.27Å; A291-F328 HydrophobicContact CB-CZ 3.48Å; A291-F328 VanDerWaalsContact CB-CZ 3.48Å |
| 292 | N | 90.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 93.7 | 171.8 | -163.4 | 8 | 0 | 0 | 0 | 109.6 | S268 | S268-N292 VanDerWaalsContact CB-O 3.32Å; S268-N292 WeakPolarHBondContact CB-O 3.32Å; S268-N292 PolarHBondContact O-N 3.32Å |
| 293 | M | 86.5 | Confident | 92.5 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | -160.5 | -178.9 | -61.3 | -173.9 | 61.3 | 0 | 0 | 111.1 | S268 Q295 G296 Y308 F328 | S268-M293 WeakPolarHBondContact OG-CG 3.48Å; S268-M293 PolarHBondContact OG-SD 2.65Å; M293-Q295 PolarHBondContact O-N 2.99Å; M293-G296 PolarHBondContact O-N 2.87Å; M293-Y308 WeakPolarHBondContact CA-OH 3.5Å; M293-Y308 HydrophobicContact CB-CE1 3.95Å; M293-Y308 WeakPolarHBondContact CB-OH 3.44Å; M293-Y308 PolarHBondContact N-OH 2.63Å; M293-Y308 VanDerWaalsContact N-OH 3.12Å; M293-F328 HydrophobicContact CG-CE2 4.29Å; M293-F328 HydrophobicContact CG-CZ 4.19Å; M293-F328 HydrophobicContact SD-CD2 3.9Å; M293-F328 HydrophobicContact SD-CE1 4.21Å; M293-F328 HydrophobicContact SD-CE2 3.22Å; M293-F328 WeakPolarHBondContact SD-CE2 3.22Å; M293-F328 HydrophobicContact SD-CZ 3.38Å; M293-F328 WeakPolarHBondContact SD-CZ 3.04Å |
| 294 | D | 84.1 | Confident | 92.3 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.8 | -175.8 | 57.5 | -63.3 | 0 | 0 | 0 | 114.1 | G296 R312 | D294-G296 VanDerWaalsContact C-N 3.27Å; D294-G296 PolarHBondContact O-N 3.36Å; D294-R312 IonicContact OD1-CZ 3.85Å; D294-R312 IonicContact OD1-NH2 2.87Å; D294-R312 PolarHBondContact OD1-NH2 2.86Å; D294-R312 IonicContact OD2-NH2 3.18Å; D294-R312 PolarHBondContact OD2-NH2 2.04Å |
| 295 | Q | 81.8 | Confident | 92 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.7 | 177.3 | -55.5 | -61 | -51.7 | 0 | 0 | 113.3 | M293 Y308 | M293-Q295 PolarHBondContact O-N 2.99Å; Q295-Y308 HydrophobicContact CB-CD1 4.38Å; Q295-Y308 HydrophobicContact CB-CE1 3.79Å; Q295-Y308 HydrophobicContact CG-CD1 4.39Å; Q295-Y308 HydrophobicContact CG-CE1 4.05Å |
| 296 | G | 85.8 | Confident | 91.6 | Very high | 30 Ų | 30 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -171.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M293 D294 K298 Y308 | M293-G296 PolarHBondContact O-N 2.87Å; D294-G296 VanDerWaalsContact C-N 3.27Å; D294-G296 PolarHBondContact O-N 3.36Å; G296-K298 PolarHBondContact O-N 2.9Å; G296-Y308 PolarHBondContact O-OH 3.29Å |
| 297 | R | 92.1 | Very high | 91.1 | Very high | 143 Ų | 143 | 58.9 Ų | 58.9 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 124.7 | -175.5 | -174.7 | 177.9 | 178.3 | -118.7 | 3.1 | 111.4 | I290 A291 V299 | I290-R297 HydrophobicContact CG2-CG 4.13Å; A291-R297 CarbonylContact O-C 3.46Å; A291-R297 VanDerWaalsContact O-CA 3.31Å; A291-R297 WeakPolarHBondContact O-CA 3.47Å; R297-V299 HydrophobicContact CG-CG2 4.39Å |
| 298 | K | 92.9 | Very high | 90.5 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.1 | 169.8 | -165.6 | 75.5 | 172.2 | -174.8 | 0 | 110.2 | I290 A291 G296 V306 Y308 F314 | I290-K298 WeakPolarHBondContact CA-O 3.23Å; A291-K298 HydrophobicContact CB-CB 4.47Å; A291-K298 PolarHBondContact N-O 3.49Å; A291-K298 PolarHBondContact O-N 2.83Å; G296-K298 PolarHBondContact O-N 2.9Å; K298-V306 HydrophobicContact CG-CG2 4.09Å; K298-Y308 HydrophobicContact CB-CD2 3.67Å; K298-Y308 HydrophobicContact CB-CE2 3.49Å; K298-Y308 VanDerWaalsContact CB-CE2 3.49Å; K298-Y308 HydrophobicContact CG-CD2 4.11Å; K298-Y308 HydrophobicContact CG-CE2 4.41Å; K298-F314 HydrophobicContact CG-CD1 4.38Å |
| 299 | V | 95.3 | Very high | 89.7 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.5 | 179 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | E288 C289 I290 R297 | E288-V299 HydrophobicContact CB-CG1 3.82Å; E288-V299 HydrophobicContact CG-CG1 4.13Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.2Å; C289-V299 WeakPolarHBondContact O-CA 3.22Å; I290-V299 HydrophobicContact CG1-CG1 4.15Å; I290-V299 HydrophobicContact CG1-CG2 4.13Å; I290-V299 HydrophobicContact CG2-CG2 4.25Å; R297-V299 HydrophobicContact CG-CG2 4.39Å |
| 300 | I | 94.7 | Very high | 88.9 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.2 | 176 | 62.3 | -178.5 | 0 | 0 | 0 | 109.9 | E288 C289 E304 V306 F314 C316 | E288-I300 CarbonylContact C-O 3.6Å; E288-I300 WeakPolarHBondContact CA-O 3.39Å; E288-I300 WeakPolarHBondContact CB-O 3.48Å; C289-I300 HydrophobicContact CB-CG1 4.46Å; C289-I300 PolarHBondContact N-O 3.25Å; C289-I300 PolarHBondContact O-N 3.35Å; I300-E304 HydrophobicContact CB-CB 4.16Å; I300-E304 WeakPolarHBondContact CD1-O 3.1Å; I300-V306 HydrophobicContact CD1-CG2 4.4Å; I300-V306 HydrophobicContact CG2-CB 4.21Å; I300-V306 HydrophobicContact CG2-CG1 3.67Å; I300-V306 HydrophobicContact CG2-CG2 3.46Å; I300-V306 VanDerWaalsContact CG2-CG2 3.46Å; I300-F314 HydrophobicContact CD1-CD1 3.5Å; I300-F314 VanDerWaalsContact CD1-CD1 3.5Å; I300-F314 HydrophobicContact CD1-CE1 3.69Å; I300-F314 HydrophobicContact CD1-CG 3.98Å; I300-F314 HydrophobicContact CD1-CZ 4.3Å; I300-F314 WeakPolarHBondContact CD1-O 3.05Å; I300-F314 HydrophobicContact CG1-CD1 3.9Å; I300-F314 HydrophobicContact CG1-CE1 3.63Å; I300-F314 HydrophobicContact CG1-CZ 4.31Å; I300-F314 HydrophobicContact CG2-CD1 4.39Å; I300-C316 HydrophobicContact CD1-CB 3.8Å; I300-C316 HydrophobicContact CG1-CB 3.73Å |
| 301 | K | 95.6 | Very high | 88.2 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 160.1 | 178.4 | -65.3 | 177.4 | 179.3 | 175.2 | 0 | 111.4 | I287 E288 G303 E304 | I287-K301 WeakPolarHBondContact O-CA 3.4Å; E288-K301 HydrophobicContact CG-CG 4.36Å; K301-G303 PolarHBondContact O-N 3.36Å; K301-E304 HydrophobicContact CB-CG 4.19Å; K301-E304 PolarHBondContact N-OE2 3.31Å; K301-E304 WeakPolarHBondContact O-CB 3.49Å; K301-E304 PolarHBondContact O-N 2.98Å; K301-E304 VanDerWaalsContact O-N 3.09Å |
| 302 | V | 93.5 | Very high | 87.8 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.7 | 169.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | V286 I287 C316 K318 V324 | V286-V302 HydrophobicContact CG1-CG2 4.08Å; V286-V302 VanDerWaalsContact O-CG2 3.23Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; I287-V302 PolarHBondContact O-N 2.74Å; V302-C316 CarbonylContact C-O 3.6Å; V302-C316 WeakPolarHBondContact CA-O 3.22Å; V302-K318 HydrophobicContact CG1-CB 4.1Å; V302-V324 HydrophobicContact CG1-CG1 4.14Å; V302-V324 HydrophobicContact CG1-CG2 3.92Å; V302-V324 HydrophobicContact CG2-CG1 3.78Å; V302-V324 HydrophobicContact CG2-CG2 4.12Å |
| 303 | G | 89.4 | Confident | 87.6 | Confident | 36 Ų | 36 | 62 Ų | 62 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -7.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K301 C316 | K301-G303 PolarHBondContact O-N 3.36Å; G303-C316 PolarHBondContact N-O 3.04Å |
| 304 | E | 89.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | trans | -99.4 | 153.6 | -178.2 | -64.1 | 179.6 | 167.3 | 0 | 0 | 112.7 | I300 K301 C316 | I300-E304 HydrophobicContact CB-CB 4.16Å; I300-E304 WeakPolarHBondContact CD1-O 3.1Å; K301-E304 HydrophobicContact CB-CG 4.19Å; K301-E304 PolarHBondContact N-OE2 3.31Å; K301-E304 WeakPolarHBondContact O-CB 3.49Å; K301-E304 PolarHBondContact O-N 2.98Å; K301-E304 VanDerWaalsContact O-N 3.09Å; E304-C316 PolarHBondContact O-N 3.22Å | ||
| 305 | C | 86.6 | Confident | 88 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.7 | 170.8 | -48.8 | 0 | 0 | 0 | 0 | 109.5 | M313 F314 S315 C349 | C305-M313 HydrophobicContact CB-CE 4.35Å; C305-F314 CarbonylContact C-O 3.59Å; C305-F314 WeakPolarHBondContact CA-O 3.43Å; C305-S315 WeakPolarHBondContact SG-CB 3.4Å; C305-C349 HydrophobicContact CB-CB 3.65Å; C305-C349 WeakPolarHBondContact CB-SG 3.3Å; C305-C349 WeakPolarHBondContact SG-CB 3.47Å; C305-C349 CovalentContact SG-SG 2.03Å; C305-C349 PolarHBondContact SG-SG 3.46Å |
| 306 | V | 87.1 | Confident | 88.6 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.8 | -178.1 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | K298 I300 M313 F314 | K298-V306 HydrophobicContact CG-CG2 4.09Å; I300-V306 HydrophobicContact CD1-CG2 4.4Å; I300-V306 HydrophobicContact CG2-CB 4.21Å; I300-V306 HydrophobicContact CG2-CG1 3.67Å; I300-V306 HydrophobicContact CG2-CG2 3.46Å; I300-V306 VanDerWaalsContact CG2-CG2 3.46Å; V306-M313 VanDerWaalsContact C-CE 3.42Å; V306-M313 WeakPolarHBondContact O-CA 3.46Å; V306-F314 HydrophobicContact CG2-CB 4.26Å; V306-F314 HydrophobicContact CG2-CD1 4.38Å; V306-F314 PolarHBondContact N-O 2.83Å; V306-F314 PolarHBondContact O-N 3.01Å |
| 307 | K | 85.2 | Confident | 88.8 | Confident | 121 Ų | 121 | 48.7 Ų | 48.7 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135.4 | 170.2 | -170.5 | 170.9 | -172 | 176.7 | 0 | 110 | G309 S310 M313 I331 | K307-G309 WeakPolarHBondContact CE-O 3.35Å; K307-G309 VanDerWaalsContact CG-O 3.24Å; K307-G309 WeakPolarHBondContact CG-O 3.32Å; K307-S310 WeakPolarHBondContact CE-O 3.38Å; K307-S310 PolarHBondContact NZ-O 2.68Å; K307-M313 VanDerWaalsContact CA-SD 3.54Å; K307-M313 HydrophobicContact CB-SD 3.95Å; K307-M313 HydrophobicContact CG-SD 4.41Å; K307-I331 HydrophobicContact CD-CD1 4.13Å; K307-I331 HydrophobicContact CG-CD1 3.95Å |
| 308 | Y | 84.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 101.4 | 178 | -167.8 | -80.2 | 0 | 0 | 0 | 108.9 | A291 M293 Q295 G296 K298 R312 F314 F328 | A291-Y308 HydrophobicContact CB-CD2 4.31Å; A291-Y308 HydrophobicContact CB-CE2 3.84Å; M293-Y308 WeakPolarHBondContact CA-OH 3.5Å; M293-Y308 HydrophobicContact CB-CE1 3.95Å; M293-Y308 WeakPolarHBondContact CB-OH 3.44Å; M293-Y308 PolarHBondContact N-OH 2.63Å; M293-Y308 VanDerWaalsContact N-OH 3.12Å; Q295-Y308 HydrophobicContact CB-CD1 4.38Å; Q295-Y308 HydrophobicContact CB-CE1 3.79Å; Q295-Y308 HydrophobicContact CG-CD1 4.39Å; Q295-Y308 HydrophobicContact CG-CE1 4.05Å; G296-Y308 PolarHBondContact O-OH 3.29Å; K298-Y308 HydrophobicContact CB-CD2 3.67Å; K298-Y308 HydrophobicContact CB-CE2 3.49Å; K298-Y308 VanDerWaalsContact CB-CE2 3.49Å; K298-Y308 HydrophobicContact CG-CD2 4.11Å; K298-Y308 HydrophobicContact CG-CE2 4.41Å; Y308-R312 CarbonylContact C-O 3.36Å; Y308-R312 PolarHBondContact N-O 2.85Å; Y308-R312 WeakPolarHBondContact O-CB 3.43Å; Y308-R312 VanDerWaalsContact O-O 3.13Å; Y308-F314 HydrophobicContact CD2-CB 4.38Å; Y308-F314 HydrophobicContact CG-CB 4.43Å; Y308-F328 HydrophobicContact CD1-CD1 4.48Å; Y308-F328 AromaticContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CZ 4.3Å; Y308-F328 HydrophobicContact CD2-CE1 4.07Å; Y308-F328 HydrophobicContact CE1-CE1 4.12Å; Y308-F328 HydrophobicContact CE1-CZ 4.33Å; Y308-F328 AromaticContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CZ 4.44Å |
| 309 | G | 81.9 | Confident | 88.4 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 27% | 0.268 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -166.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K307 | K307-G309 WeakPolarHBondContact CE-O 3.35Å; K307-G309 VanDerWaalsContact CG-O 3.24Å; K307-G309 WeakPolarHBondContact CG-O 3.32Å |
| 310 | S | 80.7 | Confident | 87.7 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 67% | 0.671 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -25.1 | 179.5 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | K307 | K307-S310 WeakPolarHBondContact CE-O 3.38Å; K307-S310 PolarHBondContact NZ-O 2.68Å |
| 311 | D | 81.6 | Confident | 87.2 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -4.8 | -160.1 | 63.5 | -39.9 | 0 | 0 | 0 | 114.3 | L330 I331 | D311-L330 CarbonylContact O-C 3.58Å; D311-L330 WeakPolarHBondContact O-CA 2.99Å; D311-I331 PolarHBondContact O-N 3.13Å |
| 312 | R | 85.3 | Confident | 86.6 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.5 | -173 | -40.6 | 179.3 | -112.7 | -178.2 | 13.3 | 112.7 | D294 Y308 F328 T329 L330 | D294-R312 IonicContact OD1-CZ 3.85Å; D294-R312 IonicContact OD1-NH2 2.87Å; D294-R312 PolarHBondContact OD1-NH2 2.86Å; D294-R312 IonicContact OD2-NH2 3.18Å; D294-R312 PolarHBondContact OD2-NH2 2.04Å; Y308-R312 CarbonylContact C-O 3.36Å; Y308-R312 PolarHBondContact N-O 2.85Å; Y308-R312 WeakPolarHBondContact O-CB 3.43Å; Y308-R312 VanDerWaalsContact O-O 3.13Å; R312-F328 HydrophobicContact CB-CD1 4.48Å; R312-T329 CarbonylContact C-O 3.49Å; R312-T329 VanDerWaalsContact CA-O 3.27Å; R312-T329 WeakPolarHBondContact CA-O 3.33Å; R312-L330 HydrophobicContact CG-CD2 4.15Å |
| 313 | M | 85.3 | Confident | 86.4 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.6 | 166.8 | -68 | -61.5 | -66.8 | 0 | 0 | 109.1 | C305 V306 K307 F328 T329 I331 L351 | C305-M313 HydrophobicContact CB-CE 4.35Å; V306-M313 VanDerWaalsContact C-CE 3.42Å; V306-M313 WeakPolarHBondContact O-CA 3.46Å; K307-M313 VanDerWaalsContact CA-SD 3.54Å; K307-M313 HydrophobicContact CB-SD 3.95Å; K307-M313 HydrophobicContact CG-SD 4.41Å; M313-F328 CarbonylContact O-C 3.53Å; M313-F328 VanDerWaalsContact O-CA 3.25Å; M313-F328 WeakPolarHBondContact O-CA 3.33Å; M313-T329 PolarHBondContact N-O 3.42Å; M313-T329 PolarHBondContact O-N 2.93Å; M313-I331 HydrophobicContact CG-CD1 4.03Å; M313-I331 HydrophobicContact CG-CG1 3.65Å; M313-I331 HydrophobicContact SD-CD1 3.92Å; M313-I331 HydrophobicContact SD-CG1 4.2Å; M313-L351 HydrophobicContact CE-CD2 3.88Å |
| 314 | F | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.9 | 168.7 | 179 | -137.4 | 0 | 0 | 0 | 109.1 | L269 C289 A291 K298 I300 C305 V306 Y308 A326 R327 F328 | L269-F314 HydrophobicContact CD2-CD2 4.4Å; L269-F314 HydrophobicContact CD2-CE2 3.65Å; L269-F314 HydrophobicContact CD2-CZ 4.25Å; C289-F314 HydrophobicContact CB-CE1 4.41Å; C289-F314 HydrophobicContact CB-CE2 4.36Å; C289-F314 HydrophobicContact CB-CZ 3.66Å; A291-F314 HydrophobicContact CB-CD1 3.92Å; A291-F314 HydrophobicContact CB-CD2 4.2Å; A291-F314 HydrophobicContact CB-CE1 3.7Å; A291-F314 HydrophobicContact CB-CE2 4.02Å; A291-F314 HydrophobicContact CB-CG 4.18Å; A291-F314 HydrophobicContact CB-CZ 3.76Å; K298-F314 HydrophobicContact CG-CD1 4.38Å; I300-F314 HydrophobicContact CD1-CD1 3.5Å; I300-F314 VanDerWaalsContact CD1-CD1 3.5Å; I300-F314 HydrophobicContact CD1-CE1 3.69Å; I300-F314 HydrophobicContact CD1-CG 3.98Å; I300-F314 HydrophobicContact CD1-CZ 4.3Å; I300-F314 WeakPolarHBondContact CD1-O 3.05Å; I300-F314 HydrophobicContact CG1-CD1 3.9Å; I300-F314 HydrophobicContact CG1-CE1 3.63Å; I300-F314 HydrophobicContact CG1-CZ 4.31Å; I300-F314 HydrophobicContact CG2-CD1 4.39Å; C305-F314 CarbonylContact C-O 3.59Å; C305-F314 WeakPolarHBondContact CA-O 3.43Å; V306-F314 HydrophobicContact CG2-CB 4.26Å; V306-F314 HydrophobicContact CG2-CD1 4.38Å; V306-F314 PolarHBondContact N-O 2.83Å; V306-F314 PolarHBondContact O-N 3.01Å; Y308-F314 HydrophobicContact CD2-CB 4.38Å; Y308-F314 HydrophobicContact CG-CB 4.43Å; F314-A326 HydrophobicContact CE2-CB 4.02Å; F314-A326 HydrophobicContact CZ-CB 4.46Å; F314-R327 WeakPolarHBondContact CA-O 3.25Å; F314-R327 WeakPolarHBondContact CD2-O 3.02Å; F314-F328 HydrophobicContact CB-CD1 4.08Å; F314-F328 HydrophobicContact CB-CE1 3.8Å; F314-F328 HydrophobicContact CD2-CD1 4.28Å; F314-F328 AromaticContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CZ 4.12Å; F314-F328 HydrophobicContact CG-CE1 4.07Å; F314-F328 HydrophobicContact CG-CZ 4.48Å |
| 315 | S | 90.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.3 | -179.7 | 62.7 | 0 | 0 | 0 | 0 | 112 | C305 A326 R327 | C305-S315 WeakPolarHBondContact SG-CB 3.4Å; S315-A326 CarbonylContact O-C 3.46Å; S315-A326 VanDerWaalsContact O-CA 3.32Å; S315-A326 WeakPolarHBondContact O-CA 3.11Å; S315-R327 PolarHBondContact N-O 2.78Å; S315-R327 PolarHBondContact O-N 3.3Å |
| 316 | C | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 89.2 | 177.7 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | C289 I300 V302 G303 E304 | C289-C316 HydrophobicContact CB-CB 3.46Å; C289-C316 VanDerWaalsContact CB-CB 3.46Å; C289-C316 WeakPolarHBondContact CB-SG 3.12Å; C289-C316 PolarHBondContact N-SG 3.23Å; C289-C316 VanDerWaalsContact N-SG 3.37Å; C289-C316 VanDerWaalsContact SG-CA 3.52Å; C289-C316 WeakPolarHBondContact SG-CB 3.11Å; C289-C316 CovalentContact SG-SG 2.02Å; C289-C316 PolarHBondContact SG-SG 3.06Å; I300-C316 HydrophobicContact CD1-CB 3.8Å; I300-C316 HydrophobicContact CG1-CB 3.73Å; V302-C316 CarbonylContact C-O 3.6Å; V302-C316 WeakPolarHBondContact CA-O 3.22Å; G303-C316 PolarHBondContact N-O 3.04Å; E304-C316 PolarHBondContact O-N 3.22Å |
| 317 | I | 90.2 | Very high | 86.9 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.6 | -167 | -58.5 | -61.5 | 0 | 0 | 0 | 111.2 | V324 V325 | I317-V324 WeakPolarHBondContact O-CA 3.47Å; I317-V325 PolarHBondContact N-O 2.86Å; I317-V325 PolarHBondContact O-N 3.02Å |
| 318 | K | 89.3 | Confident | 87 | Confident | 138 Ų | 138 | 52.6 Ų | 52.6 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.3 | 170.7 | -170.1 | 174 | -177.2 | 174.5 | 0 | 109.2 | V302 G322 N323 V324 | V302-K318 HydrophobicContact CG1-CB 4.1Å; K318-G322 VanDerWaalsContact CE-O 3.28Å; K318-G322 WeakPolarHBondContact CE-O 3.49Å; K318-N323 CarbonylContact C-O 3.57Å; K318-N323 WeakPolarHBondContact CA-O 3.45Å; K318-V324 HydrophobicContact CB-CG2 4.16Å; K318-V324 HydrophobicContact CG-CG2 4.22Å |
| 319 | Q | 87.2 | Confident | 86.9 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | trans | -74.6 | 167.5 | 177.3 | -66.6 | -176.4 | -29.1 | 0 | 0 | 111.5 | E321 G322 N323 V325 | Q319-E321 PolarHBondContact O-N 2.84Å; Q319-G322 WeakPolarHBondContact O-CA 3.48Å; Q319-G322 PolarHBondContact O-N 2.85Å; Q319-N323 PolarHBondContact N-O 3.06Å; Q319-V325 VanDerWaalsContact CD-CG2 3.45Å; Q319-V325 HydrophobicContact CG-CG2 3.97Å | ||
| 320 | T | 80.8 | Confident | 86.9 | Confident | 153 Ų | 153 | 56.6 Ų | 56.6 | 94% | 0.939 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.2 | 178.3 | 48.8 | 0 | 0 | 0 | 0 | 113 | G322 | T320-G322 PolarHBondContact O-N 3.2Š|
| 321 | E | 83.1 | Confident | 86.5 | Confident | 157 Ų | 157 | 53.3 Ų | 53.3 | 73% | 0.734 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.8 | 174.7 | -61.3 | 179.8 | 179.4 | 0 | 0 | 113.5 | Q319 | Q319-E321 PolarHBondContact O-N 2.84Š|
| 322 | G | 82.7 | Confident | 85.7 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 94.5 | -10.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K318 Q319 T320 | K318-G322 VanDerWaalsContact CE-O 3.28Å; K318-G322 WeakPolarHBondContact CE-O 3.49Å; Q319-G322 WeakPolarHBondContact O-CA 3.48Å; Q319-G322 PolarHBondContact O-N 2.85Å; T320-G322 PolarHBondContact O-N 3.2Å |
| 323 | N | 88.8 | Confident | 84.3 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | trans | -68.2 | 140.8 | 174.8 | -64.5 | -44.7 | 0 | 0 | 0 | 111.1 | K318 Q319 | K318-N323 CarbonylContact C-O 3.57Å; K318-N323 WeakPolarHBondContact CA-O 3.45Å; Q319-N323 PolarHBondContact N-O 3.06Å | ||
| 324 | V | 92.9 | Very high | 82.5 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.1 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | V286 V302 I317 K318 | V286-V324 HydrophobicContact CB-CB 3.88Å; V286-V324 HydrophobicContact CB-CG1 4.17Å; V286-V324 HydrophobicContact CB-CG2 3.99Å; V286-V324 HydrophobicContact CG1-CB 3.94Å; V286-V324 HydrophobicContact CG1-CG1 3.66Å; V286-V324 HydrophobicContact CG1-CG2 4.38Å; V286-V324 HydrophobicContact CG2-CB 4.26Å; V302-V324 HydrophobicContact CG1-CG1 4.14Å; V302-V324 HydrophobicContact CG1-CG2 3.92Å; V302-V324 HydrophobicContact CG2-CG1 3.78Å; V302-V324 HydrophobicContact CG2-CG2 4.12Å; I317-V324 WeakPolarHBondContact O-CA 3.47Å; K318-V324 HydrophobicContact CB-CG2 4.16Å; K318-V324 HydrophobicContact CG-CG2 4.22Å |
| 325 | V | 90.5 | Very high | 80.6 | Confident | 35 Ų | 35 | 73 Ų | 73 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125 | -177.8 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | I317 Q319 R327 | I317-V325 PolarHBondContact N-O 2.86Å; I317-V325 PolarHBondContact O-N 3.02Å; Q319-V325 VanDerWaalsContact CD-CG2 3.45Å; Q319-V325 HydrophobicContact CG-CG2 3.97Å; V325-R327 HydrophobicContact CG1-CG 3.76Å |
| 326 | A | 92.1 | Very high | 78.5 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L269 Y271 C289 F314 S315 | L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.01Å; L269-A326 HydrophobicContact CD2-CB 4.22Å; Y271-A326 HydrophobicContact CE1-CB 3.62Å; Y271-A326 PolarHBondContact OH-N 2.72Å; C289-A326 HydrophobicContact CB-CB 3.74Å; F314-A326 HydrophobicContact CE2-CB 4.02Å; F314-A326 HydrophobicContact CZ-CB 4.46Å; S315-A326 CarbonylContact O-C 3.46Å; S315-A326 VanDerWaalsContact O-CA 3.32Å; S315-A326 WeakPolarHBondContact O-CA 3.11Å |
| 327 | R | 88.5 | Confident | 76.4 | Confident | 62 Ų | 62 | 80.8 Ų | 80.8 | 23% | 0.234 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.9 | -179.3 | -65.4 | -177.2 | 169.8 | 172.9 | -24.2 | 113 | F314 S315 V325 E345 D347 | F314-R327 WeakPolarHBondContact CA-O 3.25Å; F314-R327 WeakPolarHBondContact CD2-O 3.02Å; S315-R327 PolarHBondContact N-O 2.78Å; S315-R327 PolarHBondContact O-N 3.3Å; V325-R327 HydrophobicContact CG1-CG 3.76Å; R327-E345 IonicContact CZ-OE1 3.32Å; R327-E345 IonicContact CZ-OE2 3.07Å; R327-E345 IonicContact NH1-OE1 2.74Å; R327-E345 IonicContact NH1-OE2 3.64Å; R327-E345 PolarHBondContact NH1-OE2 3.11Å; R327-E345 IonicContact NH2-OE1 3.27Å; R327-E345 IonicContact NH2-OE2 3.64Å; R327-E345 PolarHBondContact NH2-OE2 2.68Å; R327-D347 IonicContact NH1-OD2 3.04Å; R327-D347 PolarHBondContact NH1-OD2 3.09Å |
| 328 | F | 87.1 | Confident | 74.5 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 25% | 0.254 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.2 | 163.1 | -70.9 | -75 | 0 | 0 | 0 | 109.9 | L269 A291 M293 Y308 R312 M313 F314 | L269-F328 HydrophobicContact CD2-CD2 4.2Å; L269-F328 HydrophobicContact CD2-CE2 3.52Å; L269-F328 HydrophobicContact CD2-CZ 4.21Å; L269-F328 HydrophobicContact CG-CE2 4.22Å; A291-F328 HydrophobicContact CB-CE1 4.24Å; A291-F328 HydrophobicContact CB-CE2 4.27Å; A291-F328 HydrophobicContact CB-CZ 3.48Å; A291-F328 VanDerWaalsContact CB-CZ 3.48Å; M293-F328 HydrophobicContact CG-CE2 4.29Å; M293-F328 HydrophobicContact CG-CZ 4.19Å; M293-F328 HydrophobicContact SD-CD2 3.9Å; M293-F328 HydrophobicContact SD-CE1 4.21Å; M293-F328 HydrophobicContact SD-CE2 3.22Å; M293-F328 WeakPolarHBondContact SD-CE2 3.22Å; M293-F328 HydrophobicContact SD-CZ 3.38Å; M293-F328 WeakPolarHBondContact SD-CZ 3.04Å; Y308-F328 HydrophobicContact CD1-CD1 4.48Å; Y308-F328 AromaticContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CZ 4.3Å; Y308-F328 HydrophobicContact CD2-CE1 4.07Å; Y308-F328 HydrophobicContact CE1-CE1 4.12Å; Y308-F328 HydrophobicContact CE1-CZ 4.33Å; Y308-F328 AromaticContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CZ 4.44Å; R312-F328 HydrophobicContact CB-CD1 4.48Å; M313-F328 CarbonylContact O-C 3.53Å; M313-F328 VanDerWaalsContact O-CA 3.25Å; M313-F328 WeakPolarHBondContact O-CA 3.33Å; F314-F328 HydrophobicContact CB-CD1 4.08Å; F314-F328 HydrophobicContact CB-CE1 3.8Å; F314-F328 HydrophobicContact CD2-CD1 4.28Å; F314-F328 AromaticContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CZ 4.12Å; F314-F328 HydrophobicContact CG-CE1 4.07Å; F314-F328 HydrophobicContact CG-CZ 4.48Å |
| 329 | T | 83.4 | Confident | 72.7 | Confident | 13 Ų | 13 | 90.3 Ų | 90.3 | 8% | 0.08 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.2 | 173.9 | -47.2 | 0 | 0 | 0 | 0 | 108.8 | R312 M313 F341 I344 | R312-T329 CarbonylContact C-O 3.49Å; R312-T329 VanDerWaalsContact CA-O 3.27Å; R312-T329 WeakPolarHBondContact CA-O 3.33Å; M313-T329 PolarHBondContact N-O 3.42Å; M313-T329 PolarHBondContact O-N 2.93Å; T329-F341 HydrophobicContact CG2-CE1 4Å; T329-F341 HydrophobicContact CG2-CZ 3.85Å; T329-I344 HydrophobicContact CG2-CD1 4.08Å; T329-I344 HydrophobicContact CG2-CG1 4Å |
| 330 | L | 81.6 | Confident | 71 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 55% | 0.55 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139.1 | 173.6 | -69.9 | 169.4 | 0 | 0 | 0 | 109.9 | D311 R312 E332 | D311-L330 CarbonylContact O-C 3.58Å; D311-L330 WeakPolarHBondContact O-CA 2.99Å; R312-L330 HydrophobicContact CG-CD2 4.15Å; L330-E332 PolarHBondContact O-N 3.45Å |
| 331 | I | 71.3 | Confident | 69.9 | Low | 27 Ų | 27 | 83 Ų | 83 | 14% | 0.138 | 42% | 0.416 | C | S | . | . | trans | -81.1 | 93.5 | 171.1 | -62.7 | 169.6 | 0 | 0 | 0 | 106.5 | K307 D311 M313 E333 F336 | K307-I331 HydrophobicContact CD-CD1 4.13Å; K307-I331 HydrophobicContact CG-CD1 3.95Å; D311-I331 PolarHBondContact O-N 3.13Å; M313-I331 HydrophobicContact CG-CD1 4.03Å; M313-I331 HydrophobicContact CG-CG1 3.65Å; M313-I331 HydrophobicContact SD-CD1 3.92Å; M313-I331 HydrophobicContact SD-CG1 4.2Å; I331-E333 PolarHBondContact O-N 3.46Å; I331-F336 HydrophobicContact CG2-CE2 3.52Å; I331-F336 HydrophobicContact CG2-CZ 4.03Å | ||
| 332 | E | 65.7 | Low | 68.6 | Low | 123 Ų | 123 | 78.4 Ų | 78.4 | 58% | 0.575 | 40% | 0.399 | S | S | * | . | trans | -70.3 | 122.4 | 158.6 | -65.9 | 178.8 | -175.4 | 0 | 0 | 106.6 | L330 H334 | L330-E332 PolarHBondContact O-N 3.45Å; E332-H334 PolarHBondContact O-N 3.09Å | ||
| 333 | E | 54.6 | Low | 67.3 | Low | 176 Ų | 176 | 77.4 Ų | 77.4 | 82% | 0.822 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -8.4 | -173.8 | -71.3 | -175.8 | 151.3 | 0 | 0 | 114.1 | I331 | I331-E333 PolarHBondContact O-N 3.46Š|
| 334 | H | 48.3 | Very low | 65.3 | Low | 182 Ų | 182 | 79.1 Ų | 79.1 | 84% | 0.843 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.7 | -167.8 | -75.8 | -33.6 | 0 | 0 | 0 | 117.7 | E332 | E332-H334 PolarHBondContact O-N 3.09Š|
| 335 | S | 50.4 | Low | 63.3 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | trans | -123.9 | 27.1 | -170.1 | -35.8 | 0 | 0 | 0 | 0 | 115.8 | S337 | S335-S337 PolarHBondContact O-N 2.82Š| ||
| 336 | F | 46.8 | Very low | 61.7 | Low | 98 Ų | 98 | 84.9 Ų | 84.9 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | trans | -80 | 82.3 | 172.2 | -81.1 | -81.5 | 0 | 0 | 0 | 111.6 | I331 L351 | I331-F336 HydrophobicContact CG2-CE2 3.52Å; I331-F336 HydrophobicContact CG2-CZ 4.03Å; F336-L351 HydrophobicContact CD1-CD1 3.84Å; F336-L351 HydrophobicContact CE1-CD1 4.03Å; F336-L351 HydrophobicContact CE1-CD2 4.44Å | ||
| 337 | S | 48.8 | Very low | 60.1 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 49% | 0.49 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 124.9 | 152.9 | 162.6 | 0 | 0 | 0 | 0 | 107.6 | S335 K339 T340 | S335-S337 PolarHBondContact O-N 2.82Å; S337-K339 PolarHBondContact O-N 2.87Å; S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å |
| 338 | F | 50.6 | Low | 58.9 | Low | 193 Ų | 193 | 93.4 Ų | 93.4 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -5.2 | -172.2 | -77.9 | -83.4 | 0 | 0 | 0 | 116.4 | ||
| 339 | K | 50.7 | Low | 57.7 | Low | 173 Ų | 173 | 90.7 Ų | 90.7 | 75% | 0.752 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -25.2 | -179.3 | -66.7 | -174.4 | 176.4 | -178.6 | 0 | 114.5 | S337 L351 | S337-K339 PolarHBondContact O-N 2.87Å; K339-L351 PolarHBondContact O-N 2.96Å |
| 340 | T | 52.4 | Low | 56.7 | Low | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.301 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 133.8 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | S337 C349 | S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å; T340-C349 CarbonylContact C-O 3.55Å; T340-C349 VanDerWaalsContact CA-O 3.28Å; T340-C349 WeakPolarHBondContact CA-O 3.5Å |
| 341 | F | 58.5 | Low | 55.5 | Low | 8 Ų | 8 | 90.4 Ų | 90.4 | 4% | 0.035 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 140.7 | 163.3 | 173.1 | -103.5 | 0 | 0 | 0 | 108.6 | T329 T343 R348 C349 L351 | T329-F341 HydrophobicContact CG2-CE1 4Å; T329-F341 HydrophobicContact CG2-CZ 3.85Å; F341-T343 HydrophobicContact CD1-CG2 4.35Å; F341-T343 HydrophobicContact CE1-CG2 3.99Å; F341-R348 CarbonylContact O-C 3.51Å; F341-C349 HydrophobicContact CB-CB 4.18Å; F341-C349 HydrophobicContact CD1-CB 4.2Å; F341-C349 PolarHBondContact N-O 3.07Å; F341-C349 WeakPolarHBondContact O-CA 3.45Å; F341-C349 WeakPolarHBondContact O-CB 3.21Å; F341-C349 PolarHBondContact O-N 2.76Å; F341-L351 HydrophobicContact CB-CD2 4.49Å |
| 342 | T | 54.1 | Low | 54.5 | Low | 62 Ų | 62 | 93.1 Ų | 93.1 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.9 | 169.6 | -47.7 | 0 | 0 | 0 | 0 | 107.1 | G346 D347 | T342-G346 VanDerWaalsContact CG2-CA 3.45Å; T342-G346 VanDerWaalsContact CG2-O 3.3Å; T342-G346 WeakPolarHBondContact CG2-O 3.2Å; T342-D347 CarbonylContact C-O 3.56Å; T342-D347 WeakPolarHBondContact CA-O 3.43Å |
| 343 | T | 55.5 | Low | 53.7 | Low | 10 Ų | 10 | 93.4 Ų | 93.4 | 6% | 0.061 | 49% | 0.486 | C | S | . | . | trans | -63.1 | 164.5 | 173.4 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | F341 E345 G346 D347 | F341-T343 HydrophobicContact CD1-CG2 4.35Å; F341-T343 HydrophobicContact CE1-CG2 3.99Å; T343-E345 PolarHBondContact O-N 2.76Å; T343-G346 PolarHBondContact O-N 3Å; T343-D347 HydrophobicContact CG2-CB 4.21Å; T343-D347 PolarHBondContact N-O 2.98Å; T343-D347 WeakPolarHBondContact OG1-CB 3.29Å; T343-D347 PolarHBondContact OG1-N 2.81Å | ||
| 344 | I | 48.5 | Very low | 53.1 | Low | 127 Ų | 127 | 97.8 Ų | 97.8 | 65% | 0.651 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -26.1 | 177.7 | -63.1 | 167.4 | 0 | 0 | 0 | 111.8 | T329 | T329-I344 HydrophobicContact CG2-CD1 4.08Å; T329-I344 HydrophobicContact CG2-CG1 4Å |
| 345 | E | 50.7 | Low | 53.4 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.1 | 178.7 | -65.2 | 176.6 | -157.3 | 0 | 0 | 114 | R327 T343 | R327-E345 IonicContact CZ-OE1 3.32Å; R327-E345 IonicContact CZ-OE2 3.07Å; R327-E345 IonicContact NH1-OE1 2.74Å; R327-E345 IonicContact NH1-OE2 3.64Å; R327-E345 PolarHBondContact NH1-OE2 3.11Å; R327-E345 IonicContact NH2-OE1 3.27Å; R327-E345 IonicContact NH2-OE2 3.64Å; R327-E345 PolarHBondContact NH2-OE2 2.68Å; T343-E345 PolarHBondContact O-N 2.76Å |
| 346 | G | 55.6 | Low | 53.5 | Low | 47 Ų | 47 | 95.4 Ų | 95.4 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 94.9 | -1.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | T342 T343 R348 | T342-G346 VanDerWaalsContact CG2-CA 3.45Å; T342-G346 VanDerWaalsContact CG2-O 3.3Å; T342-G346 WeakPolarHBondContact CG2-O 3.2Å; T343-G346 PolarHBondContact O-N 3Å; G346-R348 PolarHBondContact O-N 3.46Å |
| 347 | D | 58.9 | Low | 53.9 | Low | 53 Ų | 53 | 95.3 Ų | 95.3 | 28% | 0.283 | 49% | 0.493 | S | S | . | . | trans | -71.5 | 123.1 | 179.2 | -65 | -38.4 | 0 | 0 | 0 | 110.9 | R327 T342 T343 C349 | R327-D347 IonicContact NH1-OD2 3.04Å; R327-D347 PolarHBondContact NH1-OD2 3.09Å; T342-D347 CarbonylContact C-O 3.56Å; T342-D347 WeakPolarHBondContact CA-O 3.43Å; T343-D347 HydrophobicContact CG2-CB 4.21Å; T343-D347 PolarHBondContact N-O 2.98Å; T343-D347 WeakPolarHBondContact OG1-CB 3.29Å; T343-D347 PolarHBondContact OG1-N 2.81Å; D347-C349 PolarHBondContact O-N 3Å | ||
| 348 | R | 62.5 | Low | 54.2 | Low | 195 Ų | 195 | 96.8 Ų | 96.8 | 74% | 0.736 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112 | 175.9 | -67.9 | -175.9 | -179.2 | -179.4 | 0.5 | 110.6 | F341 G346 | F341-R348 CarbonylContact O-C 3.51Å; G346-R348 PolarHBondContact O-N 3.46Å |
| 349 | C | 62.7 | Low | 54.4 | Low | 1 Ų | 1 | 90.8 Ų | 90.8 | 1% | 0.007 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.8 | 168.1 | -93.9 | 0 | 0 | 0 | 0 | 110.2 | C305 T340 F341 D347 L351 | C305-C349 HydrophobicContact CB-CB 3.65Å; C305-C349 WeakPolarHBondContact CB-SG 3.3Å; C305-C349 WeakPolarHBondContact SG-CB 3.47Å; C305-C349 CovalentContact SG-SG 2.03Å; C305-C349 PolarHBondContact SG-SG 3.46Å; T340-C349 CarbonylContact C-O 3.55Å; T340-C349 VanDerWaalsContact CA-O 3.28Å; T340-C349 WeakPolarHBondContact CA-O 3.5Å; F341-C349 HydrophobicContact CB-CB 4.18Å; F341-C349 HydrophobicContact CD1-CB 4.2Å; F341-C349 PolarHBondContact N-O 3.07Å; F341-C349 WeakPolarHBondContact O-CA 3.45Å; F341-C349 WeakPolarHBondContact O-CB 3.21Å; F341-C349 PolarHBondContact O-N 2.76Å; D347-C349 PolarHBondContact O-N 3Å; C349-L351 PolarHBondContact O-N 3.37Å |
| 350 | P | 62.8 | Low | 54.7 | Low | 68 Ų | 68 | 85.3 Ų | 85.3 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.1 | 165.3 | 27.4 | -29.9 | 0 | 0 | 0 | 108.9 | ||
| 351 | L | 56.9 | Low | 54.8 | Low | 43 Ų | 43 | 87.9 Ų | 87.9 | 23% | 0.225 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 139.2 | 169.3 | -69.8 | 169.8 | 0 | 0 | 0 | 108.1 | M313 F336 K339 F341 C349 | M313-L351 HydrophobicContact CE-CD2 3.88Å; F336-L351 HydrophobicContact CD1-CD1 3.84Å; F336-L351 HydrophobicContact CE1-CD1 4.03Å; F336-L351 HydrophobicContact CE1-CD2 4.44Å; K339-L351 PolarHBondContact O-N 2.96Å; F341-L351 HydrophobicContact CB-CD2 4.49Å; C349-L351 PolarHBondContact O-N 3.37Å |
| 352 | P | 49.8 | Very low | 54.6 | Low | 85 Ų | 85 | 94 Ų | 94 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -57 | 144.3 | 174.1 | 22.3 | -31 | 0 | 0 | 0 | 110 | K354 | P352-K354 PolarHBondContact O-N 3.15Š|
| 353 | P | 49.1 | Very low | 54.6 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 83% | 0.831 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 141.4 | 171.7 | 23.9 | -31.2 | 0 | 0 | 0 | 109.6 | ||
| 354 | K | 42.1 | Very low | 54.5 | Low | 269 Ų | 269 | 104.5 Ų | 104.5 | 100% | 1.17 | 55% | 0.546 | S | S | * | . | trans | -57.9 | 0 | 176 | -88.7 | -172 | 176.1 | -177.9 | 0 | 112.3 | P352 | P352-K354 PolarHBondContact O-N 3.15Š|
Retrieved 354 of 354 residues in 659.5 ms
(Link to these results)