| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.2 | Very low | 40.9 | Very low | 246 Ų | 246 | 163.6 Ų | 163.6 | 100% | 1.212 | 83% | 0.828 | S | S | * | * | 0 | 123 | 0 | -83.5 | 164.1 | 144.5 | 0 | 0 | 108.4 | S3 | M1-S3 PolarHBondContact O-N 3.08Š| |||
| 2 | R | 35.9 | Very low | 40.9 | Very low | 250 Ų | 250 | 158.6 Ų | 158.6 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 111.8 | -177.4 | -73.3 | 177.3 | 171.8 | 177.2 | -3.3 | 109.4 | L4 | R2-L4 PolarHBondContact O-N 3Š| ||
| 3 | S | 43.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 108.7 | 177.3 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | M1 I5 | M1-S3 PolarHBondContact O-N 3.08Å; S3-I5 PolarHBondContact O-N 3.23Å | ||
| 4 | L | 41.6 | Very low | 41.1 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -67.7 | 112.7 | 171.8 | -94.9 | 111.6 | 0 | 0 | 0 | 109.1 | R2 A6 | R2-L4 PolarHBondContact O-N 3Å; L4-A6 PolarHBondContact O-N 2.73Å; L4-A6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | I | 39.8 | Very low | 41 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 95.5 | 171.1 | -58.5 | 175.8 | 0 | 0 | 0 | 107.5 | S3 F7 | S3-I5 PolarHBondContact O-N 3.23Å; I5-F7 HydrophobicContact CG2-CD2 3.71Å; I5-F7 HydrophobicContact CG2-CE2 3.53Å; I5-F7 HydrophobicContact CG2-CZ 4.37Å; I5-F7 PolarHBondContact O-N 3.49Å | ||
| 6 | A | 44.1 | Very low | 41.1 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -80.1 | 101.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L4 I8 | L4-A6 PolarHBondContact O-N 2.73Å; L4-A6 VanDerWaalsContact O-N 3.16Å; A6-I8 PolarHBondContact O-N 2.74Å; A6-I8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | F | 38.7 | Very low | 41.2 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -72.8 | 91.5 | 169.1 | -86.2 | -91.7 | 0 | 0 | 0 | 109.7 | I5 F9 | I5-F7 HydrophobicContact CG2-CD2 3.71Å; I5-F7 HydrophobicContact CG2-CE2 3.53Å; I5-F7 HydrophobicContact CG2-CZ 4.37Å; I5-F7 PolarHBondContact O-N 3.49Å; F7-F9 PolarHBondContact O-N 3.37Å | ||
| 8 | I | 43.2 | Very low | 41 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -80.2 | 100 | 166.4 | -65.9 | 170.6 | 0 | 0 | 0 | 107.3 | A6 L10 | A6-I8 PolarHBondContact O-N 2.74Å; A6-I8 VanDerWaalsContact O-N 3.09Å; I8-L10 VanDerWaalsContact C-N 3.27Å; I8-L10 HydrophobicContact CG2-CD1 4.48Å; I8-L10 HydrophobicContact CG2-CG 4.12Å; I8-L10 PolarHBondContact O-N 2.65Å | ||
| 9 | F | 39.2 | Very low | 40.7 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | trans | -66 | 87.2 | 164.9 | -87.2 | -91.3 | 0 | 0 | 0 | 109 | F7 L11 | F7-F9 PolarHBondContact O-N 3.37Å; F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.79Å | ||
| 10 | L | 42.6 | Very low | 40.5 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 94.3 | 163.9 | -91 | 153.9 | 0 | 0 | 0 | 107.8 | I8 V12 | I8-L10 VanDerWaalsContact C-N 3.27Å; I8-L10 HydrophobicContact CG2-CD1 4.48Å; I8-L10 HydrophobicContact CG2-CG 4.12Å; I8-L10 PolarHBondContact O-N 2.65Å; L10-V12 PolarHBondContact O-N 3.44Å | ||
| 11 | L | 39.8 | Very low | 40.5 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | -51.8 | 108.1 | 165.5 | -80.5 | 161.3 | 0 | 0 | 0 | 108.6 | F9 P13 | F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.79Å; L11-P13 VanDerWaalsContact O-CD 3.23Å; L11-P13 WeakPolarHBondContact O-CD 3.36Å | ||
| 12 | V | 40.3 | Very low | 40 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 62% | 0.624 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 112 | -177.8 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | L10 T14 | L10-V12 PolarHBondContact O-N 3.44Å; V12-T14 HydrophobicContact CG1-CG2 3.31Å; V12-T14 VanDerWaalsContact CG1-OG1 3.24Å; V12-T14 WeakPolarHBondContact CG1-OG1 3.23Å; V12-T14 PolarHBondContact O-N 2.8Å; V12-T14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | P | 38.4 | Very low | 39.9 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | trans | -89 | 61 | 174 | 35.8 | -26.9 | 0 | 0 | 0 | 108.7 | L11 | L11-P13 VanDerWaalsContact O-CD 3.23Å; L11-P13 WeakPolarHBondContact O-CD 3.36Å | ||
| 14 | T | 46.4 | Very low | 39.7 | Very low | 87 Ų | 87 | 130 Ų | 130 | 53% | 0.534 | 69% | 0.692 | S | S | . | * | trans | -90.6 | -7.7 | 177 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | V12 | V12-T14 HydrophobicContact CG1-CG2 3.31Å; V12-T14 VanDerWaalsContact CG1-OG1 3.24Å; V12-T14 WeakPolarHBondContact CG1-OG1 3.23Å; V12-T14 PolarHBondContact O-N 2.8Å; V12-T14 VanDerWaalsContact O-N 3.12Å | ||
| 15 | V | 39.2 | Very low | 39.6 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 65% | 0.648 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.2 | -17.4 | -174.7 | -173.5 | 0 | 0 | 0 | 0 | 113 | L19 | V15-L19 HydrophobicContact CG1-CD1 4.49Å |
| 16 | Q | 43.5 | Very low | 39.7 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 71% | 0.71 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -83.4 | -27.7 | -176.2 | -82.6 | 168.3 | -38.4 | 0 | 0 | 115 | ||
| 17 | A | 42.8 | Very low | 39.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.6 | -34.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L20 | A17-L20 PolarHBondContact O-N 3.25Å |
| 18 | Y | 37.8 | Very low | 40.2 | Very low | 193 Ų | 193 | 124.5 Ų | 124.5 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73 | -32 | -176.5 | -81.3 | -81 | 0 | 0 | 0 | 113.5 | L20 Y21 | Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.17Å; Y18-Y21 PolarHBondContact O-N 3.27Å |
| 19 | L | 34 | Very low | 40.7 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.4 | -21.9 | 178.8 | -75 | 169.5 | 0 | 0 | 0 | 113.1 | V15 | V15-L19 HydrophobicContact CG1-CD1 4.49Å |
| 20 | L | 38 | Very low | 41.6 | Very low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -18.9 | -179.3 | -85.2 | 160.4 | 0 | 0 | 0 | 114.4 | A17 Y18 | A17-L20 PolarHBondContact O-N 3.25Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.17Å |
| 21 | Y | 40.2 | Very low | 42.9 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 41% | 0.412 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.5 | -13.6 | -167.2 | -143 | -97.7 | 0 | 0 | 0 | 115.1 | Y18 L207 S238 | Y18-Y21 PolarHBondContact O-N 3.27Å; Y21-L207 WeakPolarHBondContact OH-CB 3.16Å; Y21-S238 WeakPolarHBondContact CE1-O 3.38Å |
| 22 | S | 32 | Very low | 44.8 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -79.5 | -17.9 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 23 | E | 32.6 | Very low | 46.9 | Very low | 166 Ų | 166 | 110.7 Ų | 110.7 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -100.3 | 102.3 | -177.1 | -72.1 | -163.5 | 159.2 | 0 | 0 | 112.1 | ||
| 24 | S | 39.2 | Very low | 48.9 | Very low | 56 Ų | 56 | 111.9 Ų | 111.9 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | trans | 87.5 | 81.8 | 143.6 | 78.5 | 0 | 0 | 0 | 0 | 118.2 | K26 | S24-K26 PolarHBondContact O-N 3.07Š| ||
| 25 | H | 39.8 | Very low | 50.9 | Low | 151 Ų | 151 | 110.2 Ų | 110.2 | 70% | 0.699 | 54% | 0.536 | S | S | * | . | trans | -65.9 | 38.9 | 135.9 | -67.8 | -85.7 | 0 | 0 | 0 | 111.6 | V27 | H25-V27 PolarHBondContact O-N 2.93Š| ||
| 26 | K | 42.5 | Very low | 53.3 | Low | 148 Ų | 148 | 107.1 Ų | 107.1 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | trans | -73 | 99 | 174.1 | -78.5 | -178.4 | 179.9 | 174 | 0 | 106.4 | S24 M28 | S24-K26 PolarHBondContact O-N 3.07Å; K26-M28 VanDerWaalsContact C-N 3.29Å; K26-M28 HydrophobicContact CB-CE 4.27Å; K26-M28 HydrophobicContact CB-CG 4.5Å; K26-M28 HydrophobicContact CD-CE 4.38Å; K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 2.89Å | ||
| 27 | V | 43 | Very low | 55.6 | Low | 68 Ų | 68 | 106.4 Ų | 106.4 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | trans | -60.8 | 95.6 | 169.5 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | H25 R29 T198 | H25-V27 PolarHBondContact O-N 2.93Å; V27-R29 PolarHBondContact O-N 2.81Å; V27-T198 HydrophobicContact CG1-CG2 4.12Å; V27-T198 HydrophobicContact CG2-CG2 3.57Å | ||
| 28 | M | 50.7 | Low | 57.7 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | trans | -86.3 | 100.1 | -178.9 | -66.3 | -75.7 | -162.2 | 0 | 0 | 109 | K26 Y157 G202 | K26-M28 VanDerWaalsContact C-N 3.29Å; K26-M28 HydrophobicContact CB-CE 4.27Å; K26-M28 HydrophobicContact CB-CG 4.5Å; K26-M28 HydrophobicContact CD-CE 4.38Å; K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 2.89Å; M28-Y157 WeakPolarHBondContact CB-OH 3.05Å; M28-Y157 WeakPolarHBondContact CG-OH 3.36Å; M28-G202 WeakPolarHBondContact O-CA 3.49Å | ||
| 29 | R | 52.9 | Low | 60.2 | Low | 190 Ų | 190 | 99.3 Ų | 99.3 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | trans | -68.5 | 141.1 | 174 | -67.3 | -178.3 | -179.6 | 177.6 | -0.1 | 110.3 | V27 | V27-R29 PolarHBondContact O-N 2.81Š| ||
| 30 | G | 58 | Low | 62.7 | Low | 18 Ų | 18 | 94.5 Ų | 94.5 | 19% | 0.186 | 44% | 0.444 | C | S | . | . | trans | -54.8 | 145.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q168 | G30-Q168 WeakPolarHBondContact CA-O 3.26Š| ||
| 31 | K | 70.7 | Confident | 65 | Low | 96 Ų | 96 | 95.8 Ų | 95.8 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | trans | -116.3 | 146.1 | 179 | -67.6 | -175.5 | 175.1 | -168.8 | 0 | 109.5 | Y117 F118 I167 Q168 | K31-Y117 HydrophobicContact CD-CD2 3.28Å; K31-Y117 HydrophobicContact CD-CE2 3.16Å; K31-Y117 HydrophobicContact CD-CG 4.06Å; K31-Y117 HydrophobicContact CG-CD2 4.47Å; K31-Y117 VanDerWaalsContact NZ-CZ 3.27Å; K31-Y117 PolarHBondContact NZ-OH 2.98Å; K31-F118 HydrophobicContact CB-CE2 4.46Å; K31-F118 WeakPolarHBondContact O-CZ 3.42Å; K31-I167 WeakPolarHBondContact O-CA 3.4Å; K31-Q168 PolarHBondContact O-N 2.84Å | ||
| 32 | Y | 79.9 | Confident | 67 | Low | 140 Ų | 140 | 96.1 Ų | 96.1 | 55% | 0.549 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 142.6 | -178.8 | -65 | -94.4 | 0 | 0 | 0 | 110.7 | E162 I167 | Y32-E162 WeakPolarHBondContact CE1-OE2 3.34Å; Y32-I167 HydrophobicContact CD1-CG2 3.46Å; Y32-I167 VanDerWaalsContact CD1-CG2 3.46Å; Y32-I167 HydrophobicContact CE1-CG2 3.79Å; Y32-I167 HydrophobicContact CG-CG2 4.12Å |
| 33 | S | 83.9 | Confident | 69.2 | Low | 4 Ų | 4 | 93.1 Ų | 93.1 | 3% | 0.028 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -83 | 162.1 | 172.2 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | Y120 A133 R165 L166 | S33-Y120 WeakPolarHBondContact CA-OH 3.4Å; S33-A133 VanDerWaalsContact CB-CB 3.47Å; S33-R165 VanDerWaalsContact O-CD 3.32Å; S33-R165 WeakPolarHBondContact O-CD 3.44Å; S33-L166 VanDerWaalsContact CB-O 3.3Å; S33-L166 WeakPolarHBondContact CB-O 2.99Å; S33-L166 PolarHBondContact N-O 3.23Å; S33-L166 PolarHBondContact OG-N 2.93Å; S33-L166 PolarHBondContact OG-O 3.43Å |
| 34 | Y | 80.1 | Confident | 71.3 | Confident | 129 Ų | 129 | 90.2 Ų | 90.2 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 154.6 | 164 | -58.7 | -68.5 | 0 | 0 | 0 | 111.2 | F102 Y120 | Y34-F102 HydrophobicContact CD2-CE2 4.09Å; Y34-F102 HydrophobicContact CD2-CZ 4.35Å; Y34-F102 HydrophobicContact CE2-CE2 4.44Å; Y34-F102 HydrophobicContact CE2-CZ 4.48Å; Y34-Y120 HydrophobicContact CD2-CE1 4.21Å; Y34-Y120 HydrophobicContact CD2-CE2 4.42Å; Y34-Y120 AromaticContact CD2-CZ 3.75Å; Y34-Y120 VanDerWaalsContact CD2-OH 3.29Å; Y34-Y120 WeakPolarHBondContact CD2-OH 3.37Å; Y34-Y120 PolarHBondContact N-OH 2.93Å |
| 35 | Y | 87.8 | Confident | 73.1 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 128.4 | 172.6 | 177.9 | -94.6 | 0 | 0 | 0 | 109.1 | Y37 V130 F131 E132 D164 | Y35-Y37 AromaticContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CE1 4.41Å; Y35-V130 HydrophobicContact CD2-CG1 4.16Å; Y35-V130 HydrophobicContact CE2-CG1 3.44Å; Y35-V130 VanDerWaalsContact CE2-CG1 3.44Å; Y35-F131 WeakPolarHBondContact CA-O 3.3Å; Y35-E132 HydrophobicContact CD2-CB 3.79Å; Y35-E132 HydrophobicContact CE2-CB 4.19Å; Y35-D164 HydrophobicContact CD1-CB 3.62Å; Y35-D164 HydrophobicContact CD2-CB 3.77Å; Y35-D164 WeakPolarHBondContact CD2-O 3.35Å; Y35-D164 HydrophobicContact CE1-CB 3.55Å; Y35-D164 HydrophobicContact CE2-CB 3.72Å; Y35-D164 HydrophobicContact CG-CB 3.72Å |
| 36 | Y | 91 | Very high | 74.6 | Confident | 42 Ų | 42 | 86.5 Ų | 86.5 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 155 | 171.5 | 50.9 | -91.3 | 0 | 0 | 0 | 110.4 | D80 F81 V101 F131 | Y36-D80 HydrophobicContact CD2-CB 3.79Å; Y36-D80 HydrophobicContact CE2-CB 3.4Å; Y36-D80 VanDerWaalsContact CE2-CB 3.4Å; Y36-F81 HydrophobicContact CD2-CE1 4.4Å; Y36-F81 AromaticContact CD2-CE2 3.62Å; Y36-F81 HydrophobicContact CD2-CE2 3.62Å; Y36-F81 AromaticContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CD2-CZ 3.48Å; Y36-F81 VanDerWaalsContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CE2-CE2 4.21Å; Y36-F81 HydrophobicContact CE2-CZ 4.01Å; Y36-V101 PolarHBondContact OH-O 2.95Å; Y36-F131 HydrophobicContact CD1-CB 4.32Å; Y36-F131 AromaticContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CG 4.49Å; Y36-F131 HydrophobicContact CD2-CB 3.74Å; Y36-F131 HydrophobicContact CE1-CB 3.97Å; Y36-F131 AromaticContact CE1-CD1 3.1Å; Y36-F131 HydrophobicContact CE1-CD1 3.1Å; Y36-F131 AromaticContact CE1-CE1 3.71Å; Y36-F131 HydrophobicContact CE1-CE1 3.71Å; Y36-F131 AromaticContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE2-CB 3.31Å; Y36-F131 HydrophobicContact CE2-CD1 4.02Å; Y36-F131 AromaticContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CG-CB 4.22Å; Y36-F131 VanDerWaalsContact CZ-CB 3.46Å; Y36-F131 AromaticContact CZ-CD1 3.2Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; Y36-F131 AromaticContact CZ-CG 3.33Å; Y36-F131 PolarHBondContact N-O 3.03Å; Y36-F131 VanDerWaalsContact N-O 3.13Å; Y36-F131 PolarHBondContact O-N 3.05Å; Y36-F131 VanDerWaalsContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CG 3.45Å |
| 37 | Y | 91.5 | Very high | 76.3 | Confident | 137 Ų | 137 | 86 Ų | 86 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.8 | -176 | 67.7 | -88.6 | 0 | 0 | 0 | 111.6 | Y35 L128 L129 | Y35-Y37 AromaticContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CE1 4.41Å; Y37-L128 HydrophobicContact CD2-CD1 4.46Å; Y37-L128 HydrophobicContact CD2-CD2 4.04Å; Y37-L129 WeakPolarHBondContact CA-O 3.07Å |
| 38 | A | 86.8 | Confident | 78 | Confident | 8 Ų | 8 | 86 Ų | 86 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F81 Y83 P97 L128 L129 | A38-F81 HydrophobicContact CB-CD1 3.89Å; A38-F81 HydrophobicContact CB-CD2 3.64Å; A38-F81 HydrophobicContact CB-CE1 3.9Å; A38-F81 HydrophobicContact CB-CE2 3.64Å; A38-F81 HydrophobicContact CB-CG 3.76Å; A38-F81 HydrophobicContact CB-CZ 3.77Å; A38-Y83 HydrophobicContact CB-CE1 4.12Å; A38-Y83 WeakPolarHBondContact CB-OH 3.48Å; A38-P97 HydrophobicContact CB-CB 3.89Å; A38-P97 HydrophobicContact CB-CG 4.09Å; A38-L128 WeakPolarHBondContact O-CA 3.36Å; A38-L129 PolarHBondContact N-O 3.14Å; A38-L129 PolarHBondContact O-N 2.05Å |
| 39 | E | 90.4 | Very high | 79.1 | Confident | 108 Ų | 108 | 85.9 Ų | 85.9 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 150.9 | 176.6 | -170.5 | 169.8 | -166.4 | 0 | 0 | 110.5 | R41 L128 | E39-R41 PolarHBondContact O-N 2.98Å; E39-L128 HydrophobicContact CB-CD2 3.49Å; E39-L128 VanDerWaalsContact CB-CD2 3.49Å; E39-L128 HydrophobicContact CG-CD2 3.68Å |
| 40 | V | 85.9 | Confident | 80.2 | Confident | 37 Ų | 37 | 78.8 Ų | 78.8 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | trans | -57.9 | 126.9 | 167.6 | 179 | 0 | 0 | 0 | 0 | 109.9 | K94 I95 V96 K127 | V40-K94 HydrophobicContact CG1-CB 4.44Å; V40-I95 WeakPolarHBondContact CA-O 3.43Å; V40-V96 HydrophobicContact CG1-CG2 4.17Å; V40-V96 HydrophobicContact CG2-CG1 4.23Å; V40-V96 HydrophobicContact CG2-CG2 4.48Å; V40-K127 PolarHBondContact N-O 2.84Å | ||
| 41 | R | 85.5 | Confident | 81 | Confident | 175 Ų | 175 | 85.2 Ų | 85.2 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.4 | 173.5 | -64.4 | -176.8 | 177.6 | -173.2 | -1.2 | 110.4 | E39 K94 I95 | E39-R41 PolarHBondContact O-N 2.98Å; R41-K94 WeakPolarHBondContact O-CA 3.24Å; R41-I95 HydrophobicContact CB-CB 4.4Å; R41-I95 PolarHBondContact N-O 2.89Å; R41-I95 PolarHBondContact O-N 3.44Å |
| 42 | E | 83.6 | Confident | 81.2 | Confident | 111 Ų | 111 | 86.9 Ų | 86.9 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.3 | 172.9 | -56.7 | -169.9 | 154.3 | 0 | 0 | 108.4 | K94 | E42-K94 HydrophobicContact CG-CG 4.24Å; E42-K94 WeakPolarHBondContact OE1-CE 2.99Å; E42-K94 IonicContact OE1-NZ 2.73Å; E42-K94 PolarHBondContact OE1-NZ 3.36Å |
| 43 | I | 78.5 | Confident | 81.2 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 159.2 | 177.7 | 58.7 | 170.4 | 0 | 0 | 0 | 110 | C62 E63 M92 S93 I95 | I43-C62 HydrophobicContact CD1-CB 4.04Å; I43-E63 WeakPolarHBondContact CD1-O 3.48Å; I43-M92 WeakPolarHBondContact O-CA 3.26Å; I43-S93 PolarHBondContact N-O 3.22Å; I43-S93 PolarHBondContact O-N 2.03Å; I43-S93 VanDerWaalsContact O-O 3.12Å; I43-I95 HydrophobicContact CD1-CD1 3.93Å; I43-I95 HydrophobicContact CD1-CG1 4.34Å |
| 44 | V | 74.9 | Confident | 81.1 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 140.3 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | Y46 | V44-Y46 VanDerWaalsContact O-CD2 3.23Å; V44-Y46 WeakPolarHBondContact O-CD2 3.42Å; V44-Y46 PolarHBondContact O-N 3.38Å |
| 45 | E | 77.2 | Confident | 81 | Confident | 21 Ų | 21 | 89.4 Ų | 89.4 | 10% | 0.098 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 118 | 174.5 | 176.4 | 171.9 | 152.2 | 0 | 0 | 110 | K47 A60 Y72 R87 Y91 | E45-K47 HydrophobicContact CG-CG 4.39Å; E45-K47 WeakPolarHBondContact OE1-CE 3.48Å; E45-K47 IonicContact OE1-NZ 3.98Å; E45-A60 HydrophobicContact CG-CB 4.26Å; E45-A60 WeakPolarHBondContact OE1-CB 3.27Å; E45-Y72 VanDerWaalsContact CD-OH 3.28Å; E45-Y72 WeakPolarHBondContact CG-OH 3.31Å; E45-Y72 PolarHBondContact OE2-OH 2.93Å; E45-R87 IonicContact OE1-NH2 3.57Å; E45-Y91 WeakPolarHBondContact CB-O 3.41Å; E45-Y91 PolarHBondContact N-O 2.9Å |
| 46 | Y | 72.9 | Confident | 80.4 | Confident | 108 Ų | 108 | 93 Ų | 93 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.2 | 173.5 | -85 | -96.5 | 0 | 0 | 0 | 109.7 | V44 W48 A60 G61 E63 | V44-Y46 VanDerWaalsContact O-CD2 3.23Å; V44-Y46 WeakPolarHBondContact O-CD2 3.42Å; V44-Y46 PolarHBondContact O-N 3.38Å; Y46-W48 WeakPolarHBondContact O-CZ3 3.23Å; Y46-A60 WeakPolarHBondContact O-CA 3.3Å; Y46-G61 PolarHBondContact O-N 3.38Å; Y46-E63 HydrophobicContact CD1-CB 4.3Å; Y46-E63 HydrophobicContact CD2-CB 3.76Å; Y46-E63 WeakPolarHBondContact CE1-OE2 3.1Å; Y46-E63 HydrophobicContact CE2-CB 4.12Å; Y46-E63 WeakPolarHBondContact CE2-OE2 3.46Å; Y46-E63 HydrophobicContact CG-CB 3.86Å; Y46-E63 PolarHBondContact OH-OE2 3.03Å |
| 47 | K | 77.7 | Confident | 79.8 | Confident | 137 Ų | 137 | 93.7 Ų | 93.7 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.8 | 176.7 | -63.5 | -177.9 | -179.4 | 178.6 | 0 | 109.3 | E45 A59 A60 | E45-K47 HydrophobicContact CG-CG 4.39Å; E45-K47 WeakPolarHBondContact OE1-CE 3.48Å; E45-K47 IonicContact OE1-NZ 3.98Å; K47-A59 WeakPolarHBondContact CA-O 3.05Å; K47-A60 HydrophobicContact CG-CB 4.3Å |
| 48 | W | 78.9 | Confident | 79 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 25% | 0.254 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 165 | 176.7 | 58 | 90.2 | 0 | 0 | 0 | 110.3 | Y46 A59 L71 | Y46-W48 WeakPolarHBondContact O-CZ3 3.23Å; W48-A59 PolarHBondContact N-O 3.37Å; W48-A59 PolarHBondContact O-N 3.25Å; W48-A59 VanDerWaalsContact O-O 3.14Å; W48-L71 HydrophobicContact CZ2-CD2 3.99Å |
| 49 | V | 74.2 | Confident | 78.7 | Confident | 73 Ų | 73 | 95 Ų | 95 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | E56 | V49-E56 HydrophobicContact CG1-CB 3.69Å; V49-E56 HydrophobicContact CG1-CG 3.7Å |
| 50 | T | 74.4 | Confident | 78.4 | Confident | 40 Ų | 40 | 91 Ų | 91 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.9 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 109.2 | V57 A59 | T50-V57 PolarHBondContact N-O 2.69Å; T50-V57 PolarHBondContact O-N 3.41Å; T50-V57 PolarHBondContact OG1-O 2.82Å; T50-A59 HydrophobicContact CG2-CB 3.78Å |
| 51 | Y | 75.7 | Confident | 78.6 | Confident | 154 Ų | 154 | 89.2 Ų | 89.2 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.8 | 177.1 | -68.1 | -92.8 | 0 | 0 | 0 | 109.9 | K55 E56 | Y51-K55 WeakPolarHBondContact CA-O 3.43Å; Y51-E56 HydrophobicContact CD1-CG 3.86Å; Y51-E56 HydrophobicContact CE1-CB 4.44Å; Y51-E56 HydrophobicContact CE1-CG 3.19Å; Y51-E56 PolarHBondContact OH-OE1 3.24Å |
| 52 | Q | 74.1 | Confident | 78.9 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.3 | 172.6 | -70.3 | -173.2 | -14.7 | 0 | 0 | 109.2 | G54 K55 V57 | Q52-G54 PolarHBondContact O-N 2.9Å; Q52-K55 PolarHBondContact N-O 2.54Å; Q52-K55 PolarHBondContact O-N 2.69Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; Q52-V57 HydrophobicContact CB-CG2 4.21Å |
| 53 | G | 81.3 | Confident | 79.1 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 94% | 0.938 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 31.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K55 | G53-K55 VanDerWaalsContact C-N 3.29Å; G53-K55 PolarHBondContact O-N 2.99Å |
| 54 | G | 79.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 74% | 0.742 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q52 | Q52-G54 PolarHBondContact O-N 2.9Š|
| 55 | K | 78.1 | Confident | 79.9 | Confident | 162 Ų | 162 | 75.9 Ų | 75.9 | 70% | 0.704 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.9 | 173.8 | -65.7 | -175.3 | -179.7 | -179.1 | 0 | 110.7 | Y51 Q52 G53 V57 | Y51-K55 WeakPolarHBondContact CA-O 3.43Å; Q52-K55 PolarHBondContact N-O 2.54Å; Q52-K55 PolarHBondContact O-N 2.69Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; G53-K55 VanDerWaalsContact C-N 3.29Å; G53-K55 PolarHBondContact O-N 2.99Å; K55-V57 PolarHBondContact O-N 2.68Å |
| 56 | E | 76.2 | Confident | 80.1 | Confident | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123.1 | 169.3 | -74.4 | -174.7 | -178.4 | 0 | 0 | 109.9 | V49 Y51 | V49-E56 HydrophobicContact CG1-CB 3.69Å; V49-E56 HydrophobicContact CG1-CG 3.7Å; Y51-E56 HydrophobicContact CD1-CG 3.86Å; Y51-E56 HydrophobicContact CE1-CB 4.44Å; Y51-E56 HydrophobicContact CE1-CG 3.19Å; Y51-E56 PolarHBondContact OH-OE1 3.24Å |
| 57 | V | 77.9 | Confident | 80.5 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.7 | 176 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | T50 Q52 K55 A59 | T50-V57 PolarHBondContact N-O 2.69Å; T50-V57 PolarHBondContact O-N 3.41Å; T50-V57 PolarHBondContact OG1-O 2.82Å; Q52-V57 HydrophobicContact CB-CG2 4.21Å; K55-V57 PolarHBondContact O-N 2.68Å; V57-A59 PolarHBondContact O-N 3.09Å |
| 58 | Q | 75.8 | Confident | 80.8 | Confident | 161 Ų | 161 | 76.6 Ų | 76.6 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 118.1 | 169 | -79.5 | -172.1 | 3.7 | 0 | 0 | 109 | ||
| 59 | A | 79.6 | Confident | 81.2 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K47 W48 T50 V57 L71 | K47-A59 WeakPolarHBondContact CA-O 3.05Å; W48-A59 PolarHBondContact N-O 3.37Å; W48-A59 PolarHBondContact O-N 3.25Å; W48-A59 VanDerWaalsContact O-O 3.14Å; T50-A59 HydrophobicContact CG2-CB 3.78Å; V57-A59 PolarHBondContact O-N 3.09Å; A59-L71 HydrophobicContact CB-CD2 3.55Å |
| 60 | A | 84.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | E45 Y46 K47 Y72 | E45-A60 HydrophobicContact CG-CB 4.26Å; E45-A60 WeakPolarHBondContact OE1-CB 3.27Å; Y46-A60 WeakPolarHBondContact O-CA 3.3Å; K47-A60 HydrophobicContact CG-CB 4.3Å; A60-Y72 HydrophobicContact CB-CD2 4.4Å; A60-Y72 HydrophobicContact CB-CE2 3.64Å; A60-Y72 VanDerWaalsContact O-CD2 3.3Å; A60-Y72 WeakPolarHBondContact O-CD2 3.39Å |
| 61 | G | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -145.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y46 V70 C85 S93 | Y46-G61 PolarHBondContact O-N 3.38Å; G61-V70 WeakPolarHBondContact CA-O 3.35Å; G61-C85 VanDerWaalsContact C-SG 3.55Å; G61-S93 WeakPolarHBondContact O-CB 3.01Å; G61-S93 PolarHBondContact O-OG 2.79Å |
| 62 | C | 90.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.3 | -177.1 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | I43 V64 G69 V70 C85 I95 | I43-C62 HydrophobicContact CD1-CB 4.04Å; C62-V64 HydrophobicContact CB-CG1 4.42Å; C62-G69 WeakPolarHBondContact O-CA 3.36Å; C62-V70 PolarHBondContact N-O 2.87Å; C62-V70 PolarHBondContact O-N 3.47Å; C62-C85 HydrophobicContact CB-CB 3.75Å; C62-C85 WeakPolarHBondContact CB-SG 3.49Å; C62-C85 PolarHBondContact N-SG 2.81Å; C62-C85 WeakPolarHBondContact SG-CA 3.39Å; C62-C85 WeakPolarHBondContact SG-CB 3.49Å; C62-C85 CovalentContact SG-SG 2.04Å; C62-C85 PolarHBondContact SG-SG 2.81Å; C62-I95 HydrophobicContact CB-CD1 4.17Å; C62-I95 HydrophobicContact CB-CG1 3.84Å |
| 63 | E | 88.1 | Confident | 84.3 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116 | 164 | -172.6 | 175.7 | -149.5 | 0 | 0 | 108.6 | I43 Y46 S65 P66 G67 | I43-E63 WeakPolarHBondContact CD1-O 3.48Å; Y46-E63 HydrophobicContact CD1-CB 4.3Å; Y46-E63 HydrophobicContact CD2-CB 3.76Å; Y46-E63 WeakPolarHBondContact CE1-OE2 3.1Å; Y46-E63 HydrophobicContact CE2-CB 4.12Å; Y46-E63 WeakPolarHBondContact CE2-OE2 3.46Å; Y46-E63 HydrophobicContact CG-CB 3.86Å; Y46-E63 PolarHBondContact OH-OE2 3.03Å; E63-S65 VanDerWaalsContact CG-O 3.24Å; E63-S65 WeakPolarHBondContact CG-O 3.48Å; E63-P66 WeakPolarHBondContact OE1-CA 3.49Å; E63-G67 PolarHBondContact OE1-N 3.19Å |
| 64 | V | 87.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -19 | -176 | -58 | 0 | 0 | 0 | 0 | 112.5 | C62 V68 V70 F76 I95 | C62-V64 HydrophobicContact CB-CG1 4.42Å; V64-V68 HydrophobicContact CG2-CB 4.17Å; V64-V68 HydrophobicContact CG2-CG1 3.79Å; V64-V68 WeakPolarHBondContact CG2-O 3.47Å; V64-V68 PolarHBondContact N-O 3.23Å; V64-V70 HydrophobicContact CB-CG2 4.42Å; V64-V70 HydrophobicContact CG1-CB 4.14Å; V64-V70 HydrophobicContact CG1-CG2 3.62Å; V64-V70 HydrophobicContact CG2-CG2 3.87Å; V64-F76 HydrophobicContact CB-CD2 4.41Å; V64-F76 HydrophobicContact CB-CE2 3.92Å; V64-F76 HydrophobicContact CB-CZ 3.96Å; V64-F76 HydrophobicContact CG1-CD1 3.98Å; V64-F76 HydrophobicContact CG1-CD2 4.21Å; V64-F76 HydrophobicContact CG1-CE1 3.44Å; V64-F76 VanDerWaalsContact CG1-CE1 3.44Å; V64-F76 HydrophobicContact CG1-CE2 3.71Å; V64-F76 HydrophobicContact CG1-CG 4.33Å; V64-F76 HydrophobicContact CG1-CZ 3.27Å; V64-I95 HydrophobicContact CG1-CD1 4.28Å |
| 65 | S | 83.1 | Confident | 85.7 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 157.2 | 172.1 | -69.5 | 0 | 0 | 0 | 0 | 107.4 | E63 G67 V68 | E63-S65 VanDerWaalsContact CG-O 3.24Å; E63-S65 WeakPolarHBondContact CG-O 3.48Å; S65-G67 PolarHBondContact O-N 2.92Å; S65-V68 PolarHBondContact O-N 2.77Å |
| 66 | P | 80.5 | Confident | 86.4 | Confident | 127 Ų | 127 | 59.7 Ų | 59.7 | 83% | 0.825 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 116 | -179 | -28.7 | 36 | 0 | 0 | 0 | 112.3 | E63 V68 | E63-P66 WeakPolarHBondContact OE1-CA 3.49Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.39Å |
| 67 | G | 80.6 | Confident | 87.3 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 79% | 0.794 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E63 S65 | E63-G67 PolarHBondContact OE1-N 3.19Å; S65-G67 PolarHBondContact O-N 2.92Å |
| 68 | V | 84.7 | Confident | 87.9 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 104.3 | 177 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V64 S65 P66 | V64-V68 HydrophobicContact CG2-CB 4.17Å; V64-V68 HydrophobicContact CG2-CG1 3.79Å; V64-V68 WeakPolarHBondContact CG2-O 3.47Å; V64-V68 PolarHBondContact N-O 3.23Å; S65-V68 PolarHBondContact O-N 2.77Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.39Å |
| 69 | G | 86.6 | Confident | 88.5 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 142 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C62 | C62-G69 WeakPolarHBondContact O-CA 3.36Å |
| 70 | V | 89.8 | Confident | 89.2 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.1 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | G61 C62 V64 Q74 F76 C85 | G61-V70 WeakPolarHBondContact CA-O 3.35Å; C62-V70 PolarHBondContact N-O 2.87Å; C62-V70 PolarHBondContact O-N 3.47Å; V64-V70 HydrophobicContact CB-CG2 4.42Å; V64-V70 HydrophobicContact CG1-CB 4.14Å; V64-V70 HydrophobicContact CG1-CG2 3.62Å; V64-V70 HydrophobicContact CG2-CG2 3.87Å; V70-Q74 HydrophobicContact CG1-CB 3.54Å; V70-F76 HydrophobicContact CB-CD1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 4.06Å; V70-F76 HydrophobicContact CG2-CB 4.37Å; V70-F76 HydrophobicContact CG2-CD1 3.99Å; V70-F76 HydrophobicContact CG2-CG 4.24Å; V70-C85 HydrophobicContact CG1-CB 4.12Å |
| 71 | L | 91.1 | Very high | 89.8 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 156.4 | -178.4 | -57.5 | 177.5 | 0 | 0 | 0 | 111.4 | W48 A59 G73 Q74 | W48-L71 HydrophobicContact CZ2-CD2 3.99Å; A59-L71 HydrophobicContact CB-CD2 3.55Å; L71-G73 PolarHBondContact O-N 3.42Å; L71-Q74 HydrophobicContact CB-CG 4.02Å; L71-Q74 VanDerWaalsContact O-CB 3.32Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 3.13Å |
| 72 | Y | 91.6 | Very high | 90 | Very high | 60 Ų | 60 | 57 Ų | 57 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.7 | 171.2 | -65.4 | -51.1 | 0 | 0 | 0 | 112.2 | E45 A60 Q74 C85 R87 S93 | E45-Y72 VanDerWaalsContact CD-OH 3.28Å; E45-Y72 WeakPolarHBondContact CG-OH 3.31Å; E45-Y72 PolarHBondContact OE2-OH 2.93Å; A60-Y72 HydrophobicContact CB-CD2 4.4Å; A60-Y72 HydrophobicContact CB-CE2 3.64Å; A60-Y72 VanDerWaalsContact O-CD2 3.3Å; A60-Y72 WeakPolarHBondContact O-CD2 3.39Å; Y72-Q74 PolarHBondContact O-N 2.64Å; Y72-C85 CarbonylContact C-O 3.55Å; Y72-C85 WeakPolarHBondContact CA-O 3.35Å; Y72-C85 VanDerWaalsContact CD1-SG 3.55Å; Y72-R87 HydrophobicContact CD1-CB 4.26Å; Y72-R87 HydrophobicContact CE1-CB 4.04Å; Y72-R87 HydrophobicContact CE2-CB 4.5Å; Y72-S93 VanDerWaalsContact CE1-OG 3.3Å; Y72-S93 WeakPolarHBondContact CE1-OG 3.48Å; Y72-S93 PolarHBondContact OH-OG 3.34Å |
| 73 | G | 92.2 | Very high | 90.3 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -16.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L71 C85 | L71-G73 PolarHBondContact O-N 3.42Å; G73-C85 PolarHBondContact N-O 3.38Å |
| 74 | Q | 94.3 | Very high | 90.6 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | trans | -75.7 | 146.9 | 176.8 | -68.6 | -177.5 | -22.1 | 0 | 0 | 111.4 | V70 L71 Y72 R84 C85 | V70-Q74 HydrophobicContact CG1-CB 3.54Å; L71-Q74 HydrophobicContact CB-CG 4.02Å; L71-Q74 VanDerWaalsContact O-CB 3.32Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 3.13Å; Y72-Q74 PolarHBondContact O-N 2.64Å; Q74-R84 WeakPolarHBondContact O-CA 3.25Å; Q74-C85 PolarHBondContact O-N 3.46Å | ||
| 75 | T | 95.4 | Very high | 91 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.6 | 175.3 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | V82 Y83 R84 V98 | T75-V82 HydrophobicContact CG2-CG1 4.42Å; T75-Y83 CarbonylContact C-O 3.5Å; T75-Y83 WeakPolarHBondContact CA-O 3.17Å; T75-Y83 WeakPolarHBondContact CB-O 3.2Å; T75-R84 HydrophobicContact CG2-CB 3.97Å; T75-R84 HydrophobicContact CG2-CG 3.96Å; T75-V98 HydrophobicContact CG2-CG2 4.3Å |
| 76 | F | 94.4 | Very high | 91.5 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.4 | 173.6 | 67.1 | -80.6 | 0 | 0 | 0 | 109.9 | V64 V70 A78 Y83 I95 | V64-F76 HydrophobicContact CB-CD2 4.41Å; V64-F76 HydrophobicContact CB-CE2 3.92Å; V64-F76 HydrophobicContact CB-CZ 3.96Å; V64-F76 HydrophobicContact CG1-CD1 3.98Å; V64-F76 HydrophobicContact CG1-CD2 4.21Å; V64-F76 HydrophobicContact CG1-CE1 3.44Å; V64-F76 VanDerWaalsContact CG1-CE1 3.44Å; V64-F76 HydrophobicContact CG1-CE2 3.71Å; V64-F76 HydrophobicContact CG1-CG 4.33Å; V64-F76 HydrophobicContact CG1-CZ 3.27Å; V70-F76 HydrophobicContact CB-CD1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 4.06Å; V70-F76 HydrophobicContact CG2-CB 4.37Å; V70-F76 HydrophobicContact CG2-CD1 3.99Å; V70-F76 HydrophobicContact CG2-CG 4.24Å; F76-A78 HydrophobicContact CD2-CB 4.32Å; F76-A78 HydrophobicContact CE2-CB 4.13Å; F76-Y83 HydrophobicContact CE2-CD2 4.04Å; F76-Y83 HydrophobicContact CE2-CG 4.29Å; F76-Y83 HydrophobicContact CZ-CD2 4.25Å; F76-Y83 HydrophobicContact CZ-CG 4.03Å; F76-Y83 PolarHBondContact N-O 2.85Å; F76-Y83 PolarHBondContact O-N 2.85Å; F76-I95 HydrophobicContact CE1-CG2 4.15Å; F76-I95 HydrophobicContact CZ-CD1 4.45Å; F76-I95 HydrophobicContact CZ-CG2 3.73Å |
| 77 | K | 93.6 | Very high | 92 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130 | 179.6 | -179.1 | 172.6 | 173.6 | 170.6 | 0 | 109.9 | V101 | K77-V101 HydrophobicContact CD-CG2 4.27Å; K77-V101 HydrophobicContact CG-CG2 4.33Å |
| 78 | A | 91 | Very high | 92.3 | Very high | 45 Ų | 45 | 56.1 Ų | 56.1 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 113.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F76 D80 F81 Y83 | F76-A78 HydrophobicContact CD2-CB 4.32Å; F76-A78 HydrophobicContact CE2-CB 4.13Å; A78-D80 PolarHBondContact O-N 3.26Å; A78-F81 PolarHBondContact N-O 2.9Å; A78-F81 PolarHBondContact O-N 2.93Å; A78-Y83 HydrophobicContact CB-CD2 4.06Å; A78-Y83 HydrophobicContact CB-CE2 3.86Å |
| 79 | G | 89.6 | Confident | 92.4 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -126.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F81 | G79-F81 VanDerWaalsContact C-N 3.31Å; G79-F81 PolarHBondContact O-N 2.89Å |
| 80 | D | 93.6 | Very high | 92.2 | Very high | 88 Ų | 88 | 60 Ų | 60 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 16.8 | -174.5 | -56.8 | -50.7 | 0 | 0 | 0 | 114 | Y36 A78 V101 | Y36-D80 HydrophobicContact CD2-CB 3.79Å; Y36-D80 HydrophobicContact CE2-CB 3.4Å; Y36-D80 VanDerWaalsContact CE2-CB 3.4Å; A78-D80 PolarHBondContact O-N 3.26Å; D80-V101 PolarHBondContact O-N 3.09Å |
| 81 | F | 95.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 66.7 Ų | 66.7 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.4 | -178.2 | -64.9 | -85 | 0 | 0 | 0 | 112.8 | Y36 A38 A78 G79 Y83 A99 L129 | Y36-F81 HydrophobicContact CD2-CE1 4.4Å; Y36-F81 AromaticContact CD2-CE2 3.62Å; Y36-F81 HydrophobicContact CD2-CE2 3.62Å; Y36-F81 AromaticContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CD2-CZ 3.48Å; Y36-F81 VanDerWaalsContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CE2-CE2 4.21Å; Y36-F81 HydrophobicContact CE2-CZ 4.01Å; A38-F81 HydrophobicContact CB-CD1 3.89Å; A38-F81 HydrophobicContact CB-CD2 3.64Å; A38-F81 HydrophobicContact CB-CE1 3.9Å; A38-F81 HydrophobicContact CB-CE2 3.64Å; A38-F81 HydrophobicContact CB-CG 3.76Å; A38-F81 HydrophobicContact CB-CZ 3.77Å; A78-F81 PolarHBondContact N-O 2.9Å; A78-F81 PolarHBondContact O-N 2.93Å; G79-F81 VanDerWaalsContact C-N 3.31Å; G79-F81 PolarHBondContact O-N 2.89Å; F81-Y83 HydrophobicContact CB-CD2 4.27Å; F81-Y83 HydrophobicContact CB-CE1 4.4Å; F81-Y83 HydrophobicContact CB-CE2 3.56Å; F81-A99 WeakPolarHBondContact CA-O 3.44Å; F81-L129 HydrophobicContact CD1-CD2 4.14Å; F81-L129 HydrophobicContact CE1-CB 4.41Å; F81-L129 HydrophobicContact CE1-CD2 4.47Å; F81-L129 HydrophobicContact CE1-CG 4.37Å; F81-L129 WeakPolarHBondContact CE1-O 3.04Å |
| 82 | V | 96.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.1 | 163 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | T75 V98 A99 V101 E106 | T75-V82 HydrophobicContact CG2-CG1 4.42Å; V82-V98 HydrophobicContact CB-CG2 4.32Å; V82-V98 HydrophobicContact CG1-CG2 4.07Å; V82-V98 WeakPolarHBondContact O-CG2 3.41Å; V82-V98 PolarHBondContact O-N 3.21Å; V82-A99 HydrophobicContact CB-CB 3.95Å; V82-A99 HydrophobicContact CG2-CB 4.09Å; V82-A99 PolarHBondContact N-O 2.85Å; V82-A99 PolarHBondContact O-N 3.32Å; V82-V101 HydrophobicContact CG2-CG2 3.86Å; V82-E106 HydrophobicContact CG2-CG 3.87Å |
| 83 | Y | 95.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.4 | 179.3 | -61.8 | -89.7 | 0 | 0 | 0 | 110.1 | A38 T75 F76 A78 F81 I95 V96 P97 | A38-Y83 HydrophobicContact CB-CE1 4.12Å; A38-Y83 WeakPolarHBondContact CB-OH 3.48Å; T75-Y83 CarbonylContact C-O 3.5Å; T75-Y83 WeakPolarHBondContact CA-O 3.17Å; T75-Y83 WeakPolarHBondContact CB-O 3.2Å; F76-Y83 HydrophobicContact CE2-CD2 4.04Å; F76-Y83 HydrophobicContact CE2-CG 4.29Å; F76-Y83 HydrophobicContact CZ-CD2 4.25Å; F76-Y83 HydrophobicContact CZ-CG 4.03Å; F76-Y83 PolarHBondContact N-O 2.85Å; F76-Y83 PolarHBondContact O-N 2.85Å; A78-Y83 HydrophobicContact CB-CD2 4.06Å; A78-Y83 HydrophobicContact CB-CE2 3.86Å; F81-Y83 HydrophobicContact CB-CD2 4.27Å; F81-Y83 HydrophobicContact CB-CE1 4.4Å; F81-Y83 HydrophobicContact CB-CE2 3.56Å; Y83-I95 HydrophobicContact CD1-CG2 3.6Å; Y83-I95 HydrophobicContact CE1-CG2 4.44Å; Y83-I95 HydrophobicContact CG-CG2 3.88Å; Y83-V96 CarbonylContact C-O 3.59Å; Y83-V96 VanDerWaalsContact CA-O 3.26Å; Y83-V96 WeakPolarHBondContact CA-O 3.34Å; Y83-P97 HydrophobicContact CD1-CB 3.92Å; Y83-P97 HydrophobicContact CE1-CB 3.8Å; Y83-P97 HydrophobicContact CE1-CG 4.48Å |
| 84 | R | 95.7 | Very high | 91.7 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.7 | 169.6 | -166.1 | 173.2 | 64.1 | -156.6 | -5.3 | 109.6 | Q74 T75 D86 V96 V98 | Q74-R84 WeakPolarHBondContact O-CA 3.25Å; T75-R84 HydrophobicContact CG2-CB 3.97Å; T75-R84 HydrophobicContact CG2-CG 3.96Å; R84-D86 WeakPolarHBondContact CG-OD1 3.44Å; R84-D86 IonicContact CZ-OD1 3.64Å; R84-D86 IonicContact CZ-OD2 2.88Å; R84-D86 IonicContact NE-OD1 3.85Å; R84-D86 PolarHBondContact NE-OD1 3.31Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 2.77Å; R84-D86 IonicContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact NH2-OD2 2.94Å; R84-V96 PolarHBondContact N-O 2.85Å; R84-V96 PolarHBondContact O-N 2.82Å; R84-V98 HydrophobicContact CB-CG1 3.7Å; R84-V98 HydrophobicContact CB-CG2 4.21Å |
| 85 | C | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.1 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 110 | G61 C62 V70 Y72 G73 Q74 | G61-C85 VanDerWaalsContact C-SG 3.55Å; C62-C85 HydrophobicContact CB-CB 3.75Å; C62-C85 WeakPolarHBondContact CB-SG 3.49Å; C62-C85 PolarHBondContact N-SG 2.81Å; C62-C85 WeakPolarHBondContact SG-CA 3.39Å; C62-C85 WeakPolarHBondContact SG-CB 3.49Å; C62-C85 CovalentContact SG-SG 2.04Å; C62-C85 PolarHBondContact SG-SG 2.81Å; V70-C85 HydrophobicContact CG1-CB 4.12Å; Y72-C85 CarbonylContact C-O 3.55Å; Y72-C85 WeakPolarHBondContact CA-O 3.35Å; Y72-C85 VanDerWaalsContact CD1-SG 3.55Å; G73-C85 PolarHBondContact N-O 3.38Å; Q74-C85 PolarHBondContact O-N 3.46Å |
| 86 | D | 94 | Very high | 91.6 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152.3 | 178.8 | -70.8 | -12 | 0 | 0 | 0 | 110 | R84 K94 V96 | R84-D86 WeakPolarHBondContact CG-OD1 3.44Å; R84-D86 IonicContact CZ-OD1 3.64Å; R84-D86 IonicContact CZ-OD2 2.88Å; R84-D86 IonicContact NE-OD1 3.85Å; R84-D86 PolarHBondContact NE-OD1 3.31Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 2.77Å; R84-D86 IonicContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact NH2-OD2 2.94Å; D86-K94 HydrophobicContact CB-CB 4.37Å; D86-K94 PolarHBondContact N-O 3.05Å; D86-K94 PolarHBondContact O-N 2.77Å; D86-V96 HydrophobicContact CB-CG2 4.16Å |
| 87 | R | 91.3 | Very high | 91.6 | Very high | 153 Ų | 153 | 56.6 Ų | 56.6 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.3 | 170.5 | -179 | 174.1 | -98.7 | -179.1 | -8.1 | 109 | E45 Y72 T89 | E45-R87 IonicContact OE1-NH2 3.57Å; Y72-R87 HydrophobicContact CD1-CB 4.26Å; Y72-R87 HydrophobicContact CE1-CB 4.04Å; Y72-R87 HydrophobicContact CE2-CB 4.5Å; R87-T89 WeakPolarHBondContact CG-O 3.3Å |
| 88 | G | 87 | Confident | 91.8 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | -90 | -60.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | M92 | G88-M92 VanDerWaalsContact CA-O 3.24Å; G88-M92 WeakPolarHBondContact CA-O 3.33Å; G88-M92 PolarHBondContact N-O 3.19Å | ||
| 89 | T | 86.7 | Confident | 92.1 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 39% | 0.387 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -137.7 | -171.5 | 172.5 | 64.8 | 0 | 0 | 0 | 0 | 108.6 | R87 Y91 M92 | R87-T89 WeakPolarHBondContact CG-O 3.3Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 PolarHBondContact OG1-N 2.79Å; T89-M92 HydrophobicContact CG2-CE 3.47Å; T89-M92 VanDerWaalsContact CG2-CE 3.47Å; T89-M92 PolarHBondContact N-O 3.05Å; T89-M92 WeakPolarHBondContact OG1-CB 3.43Å; T89-M92 WeakPolarHBondContact OG1-CE 3.24Å; T89-M92 WeakPolarHBondContact OG1-CG 3.03Å; T89-M92 PolarHBondContact OG1-N 2.87Å |
| 90 | E | 82.1 | Confident | 92.4 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 61% | 0.607 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -61.8 | -22.3 | 175.2 | -166 | -173.9 | 147.9 | 0 | 0 | 113.7 | ||
| 91 | Y | 83.9 | Confident | 92.5 | Very high | 154 Ų | 154 | 44 Ų | 44 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -124.7 | 5 | -176.4 | -49.4 | -62.1 | 0 | 0 | 0 | 113.2 | E45 T89 | E45-Y91 WeakPolarHBondContact CB-O 3.41Å; E45-Y91 PolarHBondContact N-O 2.9Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 PolarHBondContact OG1-N 2.79Å |
| 92 | M | 87.7 | Confident | 92.5 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 34% | 0.335 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.5 | -176 | -61.2 | -170.2 | -69.3 | 0 | 0 | 111.6 | I43 G88 T89 | I43-M92 WeakPolarHBondContact O-CA 3.26Å; G88-M92 VanDerWaalsContact CA-O 3.24Å; G88-M92 WeakPolarHBondContact CA-O 3.33Å; G88-M92 PolarHBondContact N-O 3.19Å; T89-M92 HydrophobicContact CG2-CE 3.47Å; T89-M92 VanDerWaalsContact CG2-CE 3.47Å; T89-M92 PolarHBondContact N-O 3.05Å; T89-M92 WeakPolarHBondContact OG1-CB 3.43Å; T89-M92 WeakPolarHBondContact OG1-CE 3.24Å; T89-M92 WeakPolarHBondContact OG1-CG 3.03Å; T89-M92 PolarHBondContact OG1-N 2.87Å |
| 93 | S | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 151.2 | 170.7 | -62 | 0 | 0 | 0 | 0 | 110.2 | I43 G61 Y72 | I43-S93 PolarHBondContact N-O 3.22Å; I43-S93 PolarHBondContact O-N 2.03Å; I43-S93 VanDerWaalsContact O-O 3.12Å; G61-S93 WeakPolarHBondContact O-CB 3.01Å; G61-S93 PolarHBondContact O-OG 2.79Å; Y72-S93 VanDerWaalsContact CE1-OG 3.3Å; Y72-S93 WeakPolarHBondContact CE1-OG 3.48Å; Y72-S93 PolarHBondContact OH-OG 3.34Å |
| 94 | K | 92.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 27% | 0.265 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.8 | 178.6 | -70.6 | -178.3 | 177.3 | -179 | 0 | 109.6 | V40 R41 E42 D86 V96 | V40-K94 HydrophobicContact CG1-CB 4.44Å; R41-K94 WeakPolarHBondContact O-CA 3.24Å; E42-K94 HydrophobicContact CG-CG 4.24Å; E42-K94 WeakPolarHBondContact OE1-CE 2.99Å; E42-K94 IonicContact OE1-NZ 2.73Å; E42-K94 PolarHBondContact OE1-NZ 3.36Å; D86-K94 HydrophobicContact CB-CB 4.37Å; D86-K94 PolarHBondContact N-O 3.05Å; D86-K94 PolarHBondContact O-N 2.77Å; K94-V96 HydrophobicContact CB-CG2 3.96Å |
| 95 | I | 92.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.2 | 167.3 | -63.4 | 176 | 0 | 0 | 0 | 106.6 | V40 R41 I43 C62 V64 F76 Y83 | V40-I95 WeakPolarHBondContact CA-O 3.43Å; R41-I95 HydrophobicContact CB-CB 4.4Å; R41-I95 PolarHBondContact N-O 2.89Å; R41-I95 PolarHBondContact O-N 3.44Å; I43-I95 HydrophobicContact CD1-CD1 3.93Å; I43-I95 HydrophobicContact CD1-CG1 4.34Å; C62-I95 HydrophobicContact CB-CD1 4.17Å; C62-I95 HydrophobicContact CB-CG1 3.84Å; V64-I95 HydrophobicContact CG1-CD1 4.28Å; F76-I95 HydrophobicContact CE1-CG2 4.15Å; F76-I95 HydrophobicContact CZ-CD1 4.45Å; F76-I95 HydrophobicContact CZ-CG2 3.73Å; Y83-I95 HydrophobicContact CD1-CG2 3.6Å; Y83-I95 HydrophobicContact CE1-CG2 4.44Å; Y83-I95 HydrophobicContact CG-CG2 3.88Å |
| 96 | V | 94 | Very high | 91.9 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.3 | -173.2 | -178.2 | 0 | 0 | 0 | 0 | 109 | V40 Y83 R84 D86 K94 V98 | V40-V96 HydrophobicContact CG1-CG2 4.17Å; V40-V96 HydrophobicContact CG2-CG1 4.23Å; V40-V96 HydrophobicContact CG2-CG2 4.48Å; Y83-V96 CarbonylContact C-O 3.59Å; Y83-V96 VanDerWaalsContact CA-O 3.26Å; Y83-V96 WeakPolarHBondContact CA-O 3.34Å; R84-V96 PolarHBondContact N-O 2.85Å; R84-V96 PolarHBondContact O-N 2.82Å; D86-V96 HydrophobicContact CB-CG2 4.16Å; K94-V96 HydrophobicContact CB-CG2 3.96Å; V96-V98 HydrophobicContact CG1-CG1 4.26Å; V96-V98 PolarHBondContact O-N 2.86Å |
| 97 | P | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.2 | 170.4 | 28.5 | -32.7 | 0 | 0 | 0 | 109.3 | A38 Y83 L129 | A38-P97 HydrophobicContact CB-CB 3.89Å; A38-P97 HydrophobicContact CB-CG 4.09Å; Y83-P97 HydrophobicContact CD1-CB 3.92Å; Y83-P97 HydrophobicContact CE1-CB 3.8Å; Y83-P97 HydrophobicContact CE1-CG 4.48Å; P97-L129 HydrophobicContact CB-CB 3.82Å; P97-L129 HydrophobicContact CB-CD2 4Å; P97-L129 HydrophobicContact CG-CB 3.84Å |
| 98 | V | 96.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -20.4 | -174.7 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | T75 V82 R84 V96 P109 | T75-V98 HydrophobicContact CG2-CG2 4.3Å; V82-V98 HydrophobicContact CB-CG2 4.32Å; V82-V98 HydrophobicContact CG1-CG2 4.07Å; V82-V98 WeakPolarHBondContact O-CG2 3.41Å; V82-V98 PolarHBondContact O-N 3.21Å; R84-V98 HydrophobicContact CB-CG1 3.7Å; R84-V98 HydrophobicContact CB-CG2 4.21Å; V96-V98 HydrophobicContact CG1-CG1 4.26Å; V96-V98 PolarHBondContact O-N 2.86Å; V98-P109 WeakPolarHBondContact O-CD 3.5Å |
| 99 | A | 97.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | F81 V82 L107 L108 | F81-A99 WeakPolarHBondContact CA-O 3.44Å; V82-A99 HydrophobicContact CB-CB 3.95Å; V82-A99 HydrophobicContact CG2-CB 4.09Å; V82-A99 PolarHBondContact N-O 2.85Å; V82-A99 PolarHBondContact O-N 3.32Å; A99-L107 WeakPolarHBondContact CA-O 3.37Å; A99-L107 WeakPolarHBondContact CB-O 3.49Å; A99-L108 HydrophobicContact CB-CD2 4.24Å |
| 100 | C | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 146.4 | 169.3 | -53.3 | 0 | 0 | 0 | 0 | 109 | E106 L107 C122 F131 | C100-E106 CarbonylContact O-C 3.46Å; C100-E106 WeakPolarHBondContact O-CA 2.96Å; C100-L107 HydrophobicContact CB-CB 4.42Å; C100-L107 PolarHBondContact N-O 2.9Å; C100-L107 PolarHBondContact O-N 3.39Å; C100-C122 HydrophobicContact CB-CB 3.67Å; C100-C122 WeakPolarHBondContact CB-SG 3.29Å; C100-C122 PolarHBondContact N-SG 2.99Å; C100-C122 VanDerWaalsContact SG-CA 3.53Å; C100-C122 WeakPolarHBondContact SG-CB 3.4Å; C100-C122 CovalentContact SG-SG 2.04Å; C100-C122 PolarHBondContact SG-SG 2.7Å; C100-F131 HydrophobicContact CB-CB 4.18Å; C100-F131 HydrophobicContact CB-CD2 3.96Å; C100-F131 HydrophobicContact CB-CG 4.5Å |
| 101 | V | 95.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.4 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | Y36 K77 D80 V82 R105 E106 | Y36-V101 PolarHBondContact OH-O 2.95Å; K77-V101 HydrophobicContact CD-CG2 4.27Å; K77-V101 HydrophobicContact CG-CG2 4.33Å; D80-V101 PolarHBondContact O-N 3.09Å; V82-V101 HydrophobicContact CG2-CG2 3.86Å; V101-R105 CarbonylContact C-O 3.6Å; V101-R105 WeakPolarHBondContact CA-O 3.22Å; V101-E106 HydrophobicContact CG2-CG 4.35Å |
| 102 | F | 94.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 120 | 175.1 | -174.6 | -109.3 | 0 | 0 | 0 | 111 | Y34 G104 R105 L107 V113 H115 F131 | Y34-F102 HydrophobicContact CD2-CE2 4.09Å; Y34-F102 HydrophobicContact CD2-CZ 4.35Å; Y34-F102 HydrophobicContact CE2-CE2 4.44Å; Y34-F102 HydrophobicContact CE2-CZ 4.48Å; F102-G104 PolarHBondContact O-N 2.61Å; F102-R105 PolarHBondContact N-O 3.43Å; F102-R105 PolarHBondContact O-N 2.8Å; F102-L107 HydrophobicContact CB-CD1 4.07Å; F102-V113 HydrophobicContact CD1-CG1 3.97Å; F102-H115 HydrophobicContact CE1-CB 3.67Å; F102-H115 AromaticContact CE1-CD2 3.97Å; F102-H115 AromaticContact CE1-CG 3.67Å; F102-H115 HydrophobicContact CZ-CB 4Å; F102-H115 AromaticContact CZ-CD2 3.5Å; F102-H115 VanDerWaalsContact CZ-CD2 3.5Å; F102-H115 WeakPolarHBondContact CZ-CD2 3.31Å; F102-H115 AromaticContact CZ-CG 3.7Å; F102-F131 HydrophobicContact CB-CD2 4.48Å; F102-F131 HydrophobicContact CB-CE2 3.67Å; F102-F131 HydrophobicContact CB-CZ 3.7Å; F102-F131 HydrophobicContact CD1-CE2 4.49Å; F102-F131 AromaticContact CD1-CZ 3.92Å; F102-F131 HydrophobicContact CD1-CZ 3.92Å; F102-F131 AromaticContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE2 4.14Å; F102-F131 AromaticContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CE1-CZ 4.38Å; F102-F131 AromaticContact CE2-CE1 3.88Å; F102-F131 HydrophobicContact CE2-CE1 3.88Å; F102-F131 AromaticContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CG-CE1 4.1Å; F102-F131 AromaticContact CG-CE2 3.85Å; F102-F131 HydrophobicContact CG-CE2 3.85Å; F102-F131 AromaticContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CZ-CZ 4.33Å |
| 103 | K | 90.2 | Very high | 94.7 | Very high | 149 Ų | 149 | 61.5 Ų | 61.5 | 65% | 0.648 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.3 | -176.5 | -63.1 | -167.5 | 172.4 | -149.5 | 0 | 113.4 | R105 H115 | K103-R105 PolarHBondContact O-N 2.91Å; K103-H115 WeakPolarHBondContact CE-CE1 3.34Å; K103-H115 WeakPolarHBondContact CE-NE2 3.34Å; K103-H115 PolarHBondContact NZ-CE1 2.84Å; K103-H115 PolarHBondContact NZ-NE2 3.24Å |
| 104 | G | 90.8 | Very high | 94.9 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F102 | F102-G104 PolarHBondContact O-N 2.61Š|
| 105 | R | 94.3 | Very high | 95 | Very high | 173 Ų | 173 | 65.1 Ų | 65.1 | 65% | 0.653 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.5 | 175.4 | -63.2 | -176 | 176.4 | -174 | -2.4 | 110.9 | V101 F102 K103 | V101-R105 CarbonylContact C-O 3.6Å; V101-R105 WeakPolarHBondContact CA-O 3.22Å; F102-R105 PolarHBondContact N-O 3.43Å; F102-R105 PolarHBondContact O-N 2.8Å; K103-R105 PolarHBondContact O-N 2.91Å |
| 106 | E | 96.5 | Very high | 94.9 | Very high | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.5 | 172.2 | -63.7 | 179.2 | -173.7 | 0 | 0 | 109.4 | V82 C100 V101 | V82-E106 HydrophobicContact CG2-CG 3.87Å; C100-E106 CarbonylContact O-C 3.46Å; C100-E106 WeakPolarHBondContact O-CA 2.96Å; V101-E106 HydrophobicContact CG2-CG 4.35Å |
| 107 | L | 97.2 | Very high | 94.9 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.2 | -178.5 | -60.4 | 173.6 | 0 | 0 | 0 | 107.5 | A99 C100 F102 D111 V113 C122 F131 | A99-L107 WeakPolarHBondContact CA-O 3.37Å; A99-L107 WeakPolarHBondContact CB-O 3.49Å; C100-L107 HydrophobicContact CB-CB 4.42Å; C100-L107 PolarHBondContact N-O 2.9Å; C100-L107 PolarHBondContact O-N 3.39Å; F102-L107 HydrophobicContact CB-CD1 4.07Å; L107-D111 HydrophobicContact CB-CB 4.02Å; L107-D111 HydrophobicContact CD2-CB 4.12Å; L107-V113 HydrophobicContact CD1-CB 4.5Å; L107-V113 HydrophobicContact CD1-CG1 3.73Å; L107-V113 HydrophobicContact CD2-CB 4.35Å; L107-V113 HydrophobicContact CD2-CG1 4.43Å; L107-C122 HydrophobicContact CB-CB 3.93Å; L107-C122 PolarHBondContact O-SG 2.99Å; L107-C122 VanDerWaalsContact O-SG 3.38Å; L107-F131 HydrophobicContact CD1-CD2 4.18Å; L107-F131 HydrophobicContact CD1-CE2 3.63Å |
| 108 | L | 96.9 | Very high | 94.9 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 56% | 0.555 | 35% | 0.349 | S | S | * | . | trans | -69.7 | 161.3 | 172.9 | -62.5 | 178.2 | 0 | 0 | 0 | 110 | A99 R110 D111 | A99-L108 HydrophobicContact CB-CD2 4.24Å; L108-R110 PolarHBondContact O-N 3.36Å; L108-D111 WeakPolarHBondContact CB-OD2 3.31Å; L108-D111 PolarHBondContact N-OD2 2.04Å; L108-D111 WeakPolarHBondContact O-CB 3.34Å; L108-D111 PolarHBondContact O-N 3.01Å | ||
| 109 | P | 95.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.5 | 174.1 | -25.6 | 34.9 | 0 | 0 | 0 | 110.9 | V98 D111 C122 L129 | V98-P109 WeakPolarHBondContact O-CD 3.5Å; P109-D111 VanDerWaalsContact C-N 3.31Å; P109-C122 CarbonylContact C-O 3.56Å; P109-C122 WeakPolarHBondContact CA-O 3.37Å; P109-L129 HydrophobicContact CG-CD1 4.05Å |
| 110 | R | 93.6 | Very high | 94.8 | Very high | 223 Ų | 223 | 69 Ų | 69 | 84% | 0.842 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -9.7 | -173 | -50.8 | 172.5 | 176.5 | -177.6 | -0.9 | 115.8 | L108 C122 | L108-R110 PolarHBondContact O-N 3.36Å; R110-C122 PolarHBondContact N-O 2.96Å |
| 111 | D | 96.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | trans | -63.8 | 144.4 | 172.5 | -72.3 | -11.4 | 0 | 0 | 0 | 110.5 | L107 L108 P109 S121 C122 | L107-D111 HydrophobicContact CB-CB 4.02Å; L107-D111 HydrophobicContact CD2-CB 4.12Å; L108-D111 WeakPolarHBondContact CB-OD2 3.31Å; L108-D111 PolarHBondContact N-OD2 2.04Å; L108-D111 WeakPolarHBondContact O-CB 3.34Å; L108-D111 PolarHBondContact O-N 3.01Å; P109-D111 VanDerWaalsContact C-N 3.31Å; D111-S121 WeakPolarHBondContact O-CA 3.12Å; D111-C122 PolarHBondContact O-N 3Å; D111-C122 VanDerWaalsContact O-N 3.17Å | ||
| 112 | R | 95.6 | Very high | 94.8 | Very high | 149 Ų | 149 | 69 Ų | 69 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.3 | -178.4 | -65 | -173.8 | 177 | -179.7 | 3.2 | 111.4 | M119 Y120 | R112-M119 HydrophobicContact CB-CG 4.22Å; R112-M119 HydrophobicContact CB-SD 3.78Å; R112-Y120 CarbonylContact C-O 3.57Å; R112-Y120 WeakPolarHBondContact CA-O 3.1Å |
| 113 | V | 95.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 128.3 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | F102 L107 Y120 | F102-V113 HydrophobicContact CD1-CG1 3.97Å; L107-V113 HydrophobicContact CD1-CB 4.5Å; L107-V113 HydrophobicContact CD1-CG1 3.73Å; L107-V113 HydrophobicContact CD2-CB 4.35Å; L107-V113 HydrophobicContact CD2-CG1 4.43Å; V113-Y120 PolarHBondContact N-O 2.84Å; V113-Y120 PolarHBondContact O-N 3.45Å |
| 114 | P | 95.5 | Very high | 95 | Very high | 84 Ų | 84 | 66.7 Ų | 66.7 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.3 | 173.2 | 28.6 | -32.1 | 0 | 0 | 0 | 109.9 | M119 L137 | P114-M119 HydrophobicContact CB-CE 3.77Å; P114-M119 HydrophobicContact CB-SD 4.42Å; P114-M119 HydrophobicContact CG-CE 4.3Å; P114-L137 HydrophobicContact CB-CD1 3.82Å |
| 115 | H | 93.4 | Very high | 95 | Very high | 53 Ų | 53 | 67.8 Ų | 67.8 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 119.7 | 170.3 | -173.6 | 55.8 | 0 | 0 | 0 | 112.5 | F102 K103 Y117 F118 Y120 | F102-H115 HydrophobicContact CE1-CB 3.67Å; F102-H115 AromaticContact CE1-CD2 3.97Å; F102-H115 AromaticContact CE1-CG 3.67Å; F102-H115 HydrophobicContact CZ-CB 4Å; F102-H115 AromaticContact CZ-CD2 3.5Å; F102-H115 VanDerWaalsContact CZ-CD2 3.5Å; F102-H115 WeakPolarHBondContact CZ-CD2 3.31Å; F102-H115 AromaticContact CZ-CG 3.7Å; K103-H115 WeakPolarHBondContact CE-CE1 3.34Å; K103-H115 WeakPolarHBondContact CE-NE2 3.34Å; K103-H115 PolarHBondContact NZ-CE1 2.84Å; K103-H115 PolarHBondContact NZ-NE2 3.24Å; H115-Y117 PolarHBondContact O-N 3.09Å; H115-Y117 VanDerWaalsContact O-N 3.13Å; H115-F118 PolarHBondContact N-O 3.45Å; H115-F118 PolarHBondContact O-N 3.25Å; H115-Y120 HydrophobicContact CB-CD2 3.9Å; H115-Y120 HydrophobicContact CB-CE2 3.92Å |
| 116 | G | 90.8 | Very high | 94.7 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -114.4 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 117 | Y | 92.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 10.1 | -174.1 | -63.4 | -88.2 | 0 | 0 | 0 | 113.3 | K31 H115 L137 R152 Q168 | K31-Y117 HydrophobicContact CD-CD2 3.28Å; K31-Y117 HydrophobicContact CD-CE2 3.16Å; K31-Y117 HydrophobicContact CD-CG 4.06Å; K31-Y117 HydrophobicContact CG-CD2 4.47Å; K31-Y117 VanDerWaalsContact NZ-CZ 3.27Å; K31-Y117 PolarHBondContact NZ-OH 2.98Å; H115-Y117 PolarHBondContact O-N 3.09Å; H115-Y117 VanDerWaalsContact O-N 3.13Å; Y117-L137 PolarHBondContact O-N 2.71Å; Y117-R152 VanDerWaalsContact CD1-NH1 3.32Å; Y117-Q168 PolarHBondContact O-NE2 2.77Å |
| 118 | F | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.9 | -171.5 | -57 | -78.3 | 0 | 0 | 0 | 111.3 | K31 H115 Y120 A133 A135 L137 L166 Q168 | K31-F118 HydrophobicContact CB-CE2 4.46Å; K31-F118 WeakPolarHBondContact O-CZ 3.42Å; H115-F118 PolarHBondContact N-O 3.45Å; H115-F118 PolarHBondContact O-N 3.25Å; F118-Y120 HydrophobicContact CB-CD2 4.26Å; F118-Y120 HydrophobicContact CB-CE2 3.71Å; F118-A133 HydrophobicContact CB-CB 3.94Å; F118-A133 HydrophobicContact CD1-CB 4.09Å; F118-A133 HydrophobicContact CG-CB 4.18Å; F118-A135 CarbonylContact C-O 3.53Å; F118-A135 WeakPolarHBondContact CA-O 3.47Å; F118-L137 VanDerWaalsContact C-CD1 3.47Å; F118-L137 VanDerWaalsContact O-CD1 3.3Å; F118-L137 WeakPolarHBondContact O-CD1 3.38Å; F118-L166 HydrophobicContact CD1-CB 4.3Å; F118-L166 HydrophobicContact CD1-CD2 4.23Å; F118-L166 HydrophobicContact CD1-CG 4.46Å; F118-L166 HydrophobicContact CE1-CB 4.17Å; F118-L166 HydrophobicContact CE1-CG 4.34Å; F118-L166 WeakPolarHBondContact CE1-O 3.41Å; F118-L166 WeakPolarHBondContact CZ-O 3.12Å; F118-Q168 HydrophobicContact CE1-CG 3.95Å; F118-Q168 HydrophobicContact CZ-CG 4.1Å |
| 119 | M | 96.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.4 | 163.8 | -176.7 | 57.9 | 64.8 | 0 | 0 | 107.3 | R112 P114 A133 A134 A135 L137 Q143 | R112-M119 HydrophobicContact CB-CG 4.22Å; R112-M119 HydrophobicContact CB-SD 3.78Å; P114-M119 HydrophobicContact CB-CE 3.77Å; P114-M119 HydrophobicContact CB-SD 4.42Å; P114-M119 HydrophobicContact CG-CE 4.3Å; M119-A133 CarbonylContact O-C 3.46Å; M119-A133 WeakPolarHBondContact O-CA 3.41Å; M119-A134 PolarHBondContact O-N 3.18Å; M119-A135 HydrophobicContact CB-CB 4.18Å; M119-A135 PolarHBondContact N-O 3.2Å; M119-A135 PolarHBondContact O-N 3.14Å; M119-L137 HydrophobicContact CB-CD2 4.12Å; M119-L137 HydrophobicContact CB-CG 4.41Å; M119-L137 HydrophobicContact CE-CD2 4.13Å; M119-Q143 HydrophobicContact CB-CG 4.41Å; M119-Q143 HydrophobicContact CE-CG 4.4Å |
| 120 | Y | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.5 | 176.2 | -69.3 | -86.4 | 0 | 0 | 0 | 110.9 | S33 Y34 R112 V113 H115 F118 F131 E132 A133 | S33-Y120 WeakPolarHBondContact CA-OH 3.4Å; Y34-Y120 HydrophobicContact CD2-CE1 4.21Å; Y34-Y120 HydrophobicContact CD2-CE2 4.42Å; Y34-Y120 AromaticContact CD2-CZ 3.75Å; Y34-Y120 VanDerWaalsContact CD2-OH 3.29Å; Y34-Y120 WeakPolarHBondContact CD2-OH 3.37Å; Y34-Y120 PolarHBondContact N-OH 2.93Å; R112-Y120 CarbonylContact C-O 3.57Å; R112-Y120 WeakPolarHBondContact CA-O 3.1Å; V113-Y120 PolarHBondContact N-O 2.84Å; V113-Y120 PolarHBondContact O-N 3.45Å; H115-Y120 HydrophobicContact CB-CD2 3.9Å; H115-Y120 HydrophobicContact CB-CE2 3.92Å; F118-Y120 HydrophobicContact CB-CD2 4.26Å; F118-Y120 HydrophobicContact CB-CE2 3.71Å; Y120-F131 HydrophobicContact CD1-CD1 4.13Å; Y120-F131 AromaticContact CD1-CE1 3.37Å; Y120-F131 HydrophobicContact CD1-CE1 3.37Å; Y120-F131 AromaticContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD2-CZ 4.38Å; Y120-F131 AromaticContact CE1-CE1 3.99Å; Y120-F131 HydrophobicContact CE1-CE1 3.99Å; Y120-F131 AromaticContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE2 4.35Å; Y120-F131 AromaticContact CG-CZ 3.53Å; Y120-F131 HydrophobicContact CG-CZ 3.53Å; Y120-E132 CarbonylContact C-O 3.49Å; Y120-E132 WeakPolarHBondContact CA-O 3.47Å; Y120-A133 HydrophobicContact CD1-CB 4.16Å; Y120-A133 HydrophobicContact CE1-CB 3.94Å |
| 121 | S | 96.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140.6 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | D111 T123 E132 | D111-S121 WeakPolarHBondContact O-CA 3.12Å; S121-T123 PolarHBondContact OG-OG1 3.45Å; S121-E132 PolarHBondContact N-O 2.89Å; S121-E132 PolarHBondContact O-N 2.86Å; S121-E132 VanDerWaalsContact O-N 3.16Å |
| 122 | C | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.1 | 162.5 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | C100 L107 P109 R110 D111 V130 | C100-C122 HydrophobicContact CB-CB 3.67Å; C100-C122 WeakPolarHBondContact CB-SG 3.29Å; C100-C122 PolarHBondContact N-SG 2.99Å; C100-C122 VanDerWaalsContact SG-CA 3.53Å; C100-C122 WeakPolarHBondContact SG-CB 3.4Å; C100-C122 CovalentContact SG-SG 2.04Å; C100-C122 PolarHBondContact SG-SG 2.7Å; L107-C122 HydrophobicContact CB-CB 3.93Å; L107-C122 PolarHBondContact O-SG 2.99Å; L107-C122 VanDerWaalsContact O-SG 3.38Å; P109-C122 CarbonylContact C-O 3.56Å; P109-C122 WeakPolarHBondContact CA-O 3.37Å; R110-C122 PolarHBondContact N-O 2.96Å; D111-C122 PolarHBondContact O-N 3Å; D111-C122 VanDerWaalsContact O-N 3.17Å; C122-V130 CarbonylContact C-O 3.55Å |
| 123 | T | 95.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.5 | -168.6 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | S121 K125 V130 | S121-T123 PolarHBondContact OG-OG1 3.45Å; T123-K125 HydrophobicContact CG2-CG 4.11Å; T123-K125 PolarHBondContact O-N 2.87Å; T123-V130 PolarHBondContact N-O 2.86Å; T123-V130 PolarHBondContact O-N 2.73Å |
| 124 | Q | 93.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.8 | 169.9 | -170.9 | 70 | 36.3 | 0 | 0 | 109.3 | N126 L128 L129 | Q124-N126 PolarHBondContact NE2-O 3.27Å; Q124-L128 PolarHBondContact NE2-O 2.95Å; Q124-L129 HydrophobicContact CB-CD1 4.45Å |
| 125 | K | 90.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 100.4 | 174.2 | -65.9 | -174.3 | -173.5 | 167.9 | 0 | 109.2 | T123 K127 L128 V130 E132 | T123-K125 HydrophobicContact CG2-CG 4.11Å; T123-K125 PolarHBondContact O-N 2.87Å; K125-K127 PolarHBondContact O-N 3.29Å; K125-K127 VanDerWaalsContact O-N 3.17Å; K125-L128 PolarHBondContact N-O 3.4Å; K125-L128 WeakPolarHBondContact O-CA 3.49Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 2.9Å; K125-V130 HydrophobicContact CB-CG2 4.4Å; K125-V130 HydrophobicContact CD-CG2 4.15Å; K125-V130 HydrophobicContact CG-CG2 4.39Å; K125-E132 WeakPolarHBondContact CE-OE1 3.48Å; K125-E132 IonicContact NZ-OE1 3.46Å; K125-E132 PolarHBondContact NZ-OE1 2.83Å; K125-E132 IonicContact NZ-OE2 3.57Å; K125-E132 PolarHBondContact NZ-OE2 2.61Å |
| 126 | N | 87.3 | Confident | 93.8 | Very high | 158 Ų | 158 | 37.3 Ų | 37.3 | 85% | 0.845 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -119.1 | -175.3 | -57.9 | -23.1 | 0 | 0 | 0 | 111 | Q124 L128 | Q124-N126 PolarHBondContact NE2-O 3.27Å; N126-L128 VanDerWaalsContact C-N 3.31Å |
| 127 | K | 86.9 | Confident | 94 | Very high | 135 Ų | 135 | 35.1 Ų | 35.1 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1 | 177.5 | -61.8 | -174.1 | 179.2 | -175.5 | 0 | 114.1 | V40 K125 | V40-K127 PolarHBondContact N-O 2.84Å; K125-K127 PolarHBondContact O-N 3.29Å; K125-K127 VanDerWaalsContact O-N 3.17Å |
| 128 | L | 91.3 | Very high | 94 | Very high | 49 Ų | 49 | 31.9 Ų | 31.9 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.4 | -178.6 | -56.5 | 178.8 | 0 | 0 | 0 | 110.9 | Y37 A38 E39 Q124 K125 N126 V130 | Y37-L128 HydrophobicContact CD2-CD1 4.46Å; Y37-L128 HydrophobicContact CD2-CD2 4.04Å; A38-L128 WeakPolarHBondContact O-CA 3.36Å; E39-L128 HydrophobicContact CB-CD2 3.49Å; E39-L128 VanDerWaalsContact CB-CD2 3.49Å; E39-L128 HydrophobicContact CG-CD2 3.68Å; Q124-L128 PolarHBondContact NE2-O 2.95Å; K125-L128 PolarHBondContact N-O 3.4Å; K125-L128 WeakPolarHBondContact O-CA 3.49Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 2.9Å; N126-L128 VanDerWaalsContact C-N 3.31Å; L128-V130 HydrophobicContact CB-CG2 3.93Å |
| 129 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.8 | 159.3 | -169.7 | 66 | 0 | 0 | 0 | 108.1 | Y37 A38 F81 P97 P109 Q124 | Y37-L129 WeakPolarHBondContact CA-O 3.07Å; A38-L129 PolarHBondContact N-O 3.14Å; A38-L129 PolarHBondContact O-N 2.05Å; F81-L129 HydrophobicContact CD1-CD2 4.14Å; F81-L129 HydrophobicContact CE1-CB 4.41Å; F81-L129 HydrophobicContact CE1-CD2 4.47Å; F81-L129 HydrophobicContact CE1-CG 4.37Å; F81-L129 WeakPolarHBondContact CE1-O 3.04Å; P97-L129 HydrophobicContact CB-CB 3.82Å; P97-L129 HydrophobicContact CB-CD2 4Å; P97-L129 HydrophobicContact CG-CB 3.84Å; P109-L129 HydrophobicContact CG-CD1 4.05Å; Q124-L129 HydrophobicContact CB-CD1 4.45Å |
| 130 | V | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.3 | -170.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | Y35 C122 T123 K125 L128 E132 | Y35-V130 HydrophobicContact CD2-CG1 4.16Å; Y35-V130 HydrophobicContact CE2-CG1 3.44Å; Y35-V130 VanDerWaalsContact CE2-CG1 3.44Å; C122-V130 CarbonylContact C-O 3.55Å; T123-V130 PolarHBondContact N-O 2.86Å; T123-V130 PolarHBondContact O-N 2.73Å; K125-V130 HydrophobicContact CB-CG2 4.4Å; K125-V130 HydrophobicContact CD-CG2 4.15Å; K125-V130 HydrophobicContact CG-CG2 4.39Å; L128-V130 HydrophobicContact CB-CG2 3.93Å; V130-E132 HydrophobicContact CG1-CB 4.09Å; V130-E132 HydrophobicContact CG1-CG 4.27Å |
| 131 | F | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.4 | 165.6 | -176.9 | -93.9 | 0 | 0 | 0 | 109.2 | Y35 Y36 C100 F102 L107 Y120 | Y35-F131 WeakPolarHBondContact CA-O 3.3Å; Y36-F131 HydrophobicContact CD1-CB 4.32Å; Y36-F131 AromaticContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CG 4.49Å; Y36-F131 HydrophobicContact CD2-CB 3.74Å; Y36-F131 HydrophobicContact CE1-CB 3.97Å; Y36-F131 AromaticContact CE1-CD1 3.1Å; Y36-F131 HydrophobicContact CE1-CD1 3.1Å; Y36-F131 AromaticContact CE1-CE1 3.71Å; Y36-F131 HydrophobicContact CE1-CE1 3.71Å; Y36-F131 AromaticContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE2-CB 3.31Å; Y36-F131 HydrophobicContact CE2-CD1 4.02Å; Y36-F131 AromaticContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CG-CB 4.22Å; Y36-F131 VanDerWaalsContact CZ-CB 3.46Å; Y36-F131 AromaticContact CZ-CD1 3.2Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; Y36-F131 AromaticContact CZ-CG 3.33Å; Y36-F131 PolarHBondContact N-O 3.03Å; Y36-F131 VanDerWaalsContact N-O 3.13Å; Y36-F131 PolarHBondContact O-N 3.05Å; Y36-F131 VanDerWaalsContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CG 3.45Å; C100-F131 HydrophobicContact CB-CB 4.18Å; C100-F131 HydrophobicContact CB-CD2 3.96Å; C100-F131 HydrophobicContact CB-CG 4.5Å; F102-F131 HydrophobicContact CB-CD2 4.48Å; F102-F131 HydrophobicContact CB-CE2 3.67Å; F102-F131 HydrophobicContact CB-CZ 3.7Å; F102-F131 HydrophobicContact CD1-CE2 4.49Å; F102-F131 AromaticContact CD1-CZ 3.92Å; F102-F131 HydrophobicContact CD1-CZ 3.92Å; F102-F131 AromaticContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE2 4.14Å; F102-F131 AromaticContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CE1-CZ 4.38Å; F102-F131 AromaticContact CE2-CE1 3.88Å; F102-F131 HydrophobicContact CE2-CE1 3.88Å; F102-F131 AromaticContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CG-CE1 4.1Å; F102-F131 AromaticContact CG-CE2 3.85Å; F102-F131 HydrophobicContact CG-CE2 3.85Å; F102-F131 AromaticContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CZ-CZ 4.33Å; L107-F131 HydrophobicContact CD1-CD2 4.18Å; L107-F131 HydrophobicContact CD1-CE2 3.63Å; Y120-F131 HydrophobicContact CD1-CD1 4.13Å; Y120-F131 AromaticContact CD1-CE1 3.37Å; Y120-F131 HydrophobicContact CD1-CE1 3.37Å; Y120-F131 AromaticContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD2-CZ 4.38Å; Y120-F131 AromaticContact CE1-CE1 3.99Å; Y120-F131 HydrophobicContact CE1-CE1 3.99Å; Y120-F131 AromaticContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE2 4.35Å; Y120-F131 AromaticContact CG-CZ 3.53Å; Y120-F131 HydrophobicContact CG-CZ 3.53Å |
| 132 | E | 93.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.7 | -175.7 | 66.4 | -175.4 | 160.5 | 0 | 0 | 111.8 | Y35 Y120 S121 K125 V130 A134 | Y35-E132 HydrophobicContact CD2-CB 3.79Å; Y35-E132 HydrophobicContact CE2-CB 4.19Å; Y120-E132 CarbonylContact C-O 3.49Å; Y120-E132 WeakPolarHBondContact CA-O 3.47Å; S121-E132 PolarHBondContact N-O 2.89Å; S121-E132 PolarHBondContact O-N 2.86Å; S121-E132 VanDerWaalsContact O-N 3.16Å; K125-E132 WeakPolarHBondContact CE-OE1 3.48Å; K125-E132 IonicContact NZ-OE1 3.46Å; K125-E132 PolarHBondContact NZ-OE1 2.83Å; K125-E132 IonicContact NZ-OE2 3.57Å; K125-E132 PolarHBondContact NZ-OE2 2.61Å; V130-E132 HydrophobicContact CG1-CB 4.09Å; V130-E132 HydrophobicContact CG1-CG 4.27Å; E132-A134 PolarHBondContact O-N 3.5Å |
| 133 | A | 94.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 117.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S33 F118 M119 Y120 L166 | S33-A133 VanDerWaalsContact CB-CB 3.47Å; F118-A133 HydrophobicContact CB-CB 3.94Å; F118-A133 HydrophobicContact CD1-CB 4.09Å; F118-A133 HydrophobicContact CG-CB 4.18Å; M119-A133 CarbonylContact O-C 3.46Å; M119-A133 WeakPolarHBondContact O-CA 3.41Å; Y120-A133 HydrophobicContact CD1-CB 4.16Å; Y120-A133 HydrophobicContact CE1-CB 3.94Å; A133-L166 HydrophobicContact CB-CB 3.74Å; A133-L166 HydrophobicContact CB-CD2 4.01Å |
| 134 | A | 94.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -30.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M119 E132 | M119-A134 PolarHBondContact O-N 3.18Å; E132-A134 PolarHBondContact O-N 3.5Å |
| 135 | A | 96.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F118 M119 Q143 Y144 | F118-A135 CarbonylContact C-O 3.53Å; F118-A135 WeakPolarHBondContact CA-O 3.47Å; M119-A135 HydrophobicContact CB-CB 4.18Å; M119-A135 PolarHBondContact N-O 3.2Å; M119-A135 PolarHBondContact O-N 3.14Å; A135-Q143 HydrophobicContact CB-CB 4.06Å; A135-Q143 HydrophobicContact CB-CG 4.47Å; A135-Y144 WeakPolarHBondContact CA-O 3.12Å; A135-Y144 WeakPolarHBondContact CB-O 3.27Å |
| 136 | C | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 148.6 | 166 | -64 | 0 | 0 | 0 | 0 | 110.2 | Y144 F150 C159 Q168 | C136-Y144 PolarHBondContact N-O 2.79Å; C136-Y144 PolarHBondContact O-N 2.89Å; C136-F150 HydrophobicContact CB-CE1 3.89Å; C136-F150 HydrophobicContact CB-CZ 4.19Å; C136-C159 HydrophobicContact CB-CB 3.58Å; C136-C159 WeakPolarHBondContact CB-SG 3.09Å; C136-C159 PolarHBondContact N-SG 3.22Å; C136-C159 WeakPolarHBondContact SG-CA 3.37Å; C136-C159 WeakPolarHBondContact SG-CB 3.33Å; C136-C159 CovalentContact SG-SG 2.03Å; C136-C159 PolarHBondContact SG-SG 2.78Å; C136-Q168 HydrophobicContact CB-CG 3.99Å |
| 137 | L | 95.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.4 | 176.8 | -65 | 176.7 | 0 | 0 | 0 | 112 | P114 Y117 F118 M119 E142 Q143 R152 Q168 | P114-L137 HydrophobicContact CB-CD1 3.82Å; Y117-L137 PolarHBondContact O-N 2.71Å; F118-L137 VanDerWaalsContact C-CD1 3.47Å; F118-L137 VanDerWaalsContact O-CD1 3.3Å; F118-L137 WeakPolarHBondContact O-CD1 3.38Å; M119-L137 HydrophobicContact CB-CD2 4.12Å; M119-L137 HydrophobicContact CB-CG 4.41Å; M119-L137 HydrophobicContact CE-CD2 4.13Å; L137-E142 WeakPolarHBondContact CA-O 3.03Å; L137-Q143 HydrophobicContact CD2-CG 3.75Å; L137-R152 PolarHBondContact O-NH2 3.45Å; L137-Q168 PolarHBondContact O-NE2 3.37Å |
| 138 | G | 92.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -73.7 | -179.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R140 G141 E142 | G138-R140 VanDerWaalsContact C-N 3.29Å; G138-R140 PolarHBondContact O-N 3.38Å; G138-G141 PolarHBondContact O-N 2.87Å; G138-E142 PolarHBondContact N-O 2.94Å | ||
| 139 | D | 89.7 | Confident | 94.4 | Very high | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.6 | -175.2 | -65.8 | -24.2 | 0 | 0 | 0 | 113.4 | R152 | D139-R152 IonicContact OD1-CZ 2.67Å; D139-R152 VanDerWaalsContact OD1-CZ 3.32Å; D139-R152 IonicContact OD1-NE 2.76Å; D139-R152 PolarHBondContact OD1-NE 3.34Å; D139-R152 IonicContact OD1-NH2 2.79Å; D139-R152 PolarHBondContact OD1-NH2 2.82Å; D139-R152 VanDerWaalsContact OD1-NH2 3.1Å; D139-R152 WeakPolarHBondContact OD2-CG 3.13Å; D139-R152 IonicContact OD2-NE 3.1Å |
| 140 | R | 91 | Very high | 94.4 | Very high | 227 Ų | 227 | 52.4 Ų | 52.4 | 86% | 0.857 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 17.5 | 177.4 | -39.3 | 177.8 | -179 | 176.7 | -0.5 | 111.8 | G138 E142 | G138-R140 VanDerWaalsContact C-N 3.29Å; G138-R140 PolarHBondContact O-N 3.38Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 WeakPolarHBondContact CA-OE2 3.17Å; R140-E142 VanDerWaalsContact CB-OE1 3.3Å; R140-E142 WeakPolarHBondContact CB-OE1 3.49Å; R140-E142 WeakPolarHBondContact CD-OE1 3.16Å; R140-E142 WeakPolarHBondContact CG-OE1 3.48Å; R140-E142 PolarHBondContact N-OE2 3.15Å |
| 141 | G | 91.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 44% | 0.443 | 30% | 0.295 | S | S | . | . | trans | 79.6 | 11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G138 | G138-G141 PolarHBondContact O-N 2.87Š| ||
| 142 | E | 95.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | trans | -62.1 | 138.1 | 173.7 | -49.8 | 93.4 | 153.7 | 0 | 0 | 110.3 | L137 G138 R140 Y144 | L137-E142 WeakPolarHBondContact CA-O 3.03Å; G138-E142 PolarHBondContact N-O 2.94Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 WeakPolarHBondContact CA-OE2 3.17Å; R140-E142 VanDerWaalsContact CB-OE1 3.3Å; R140-E142 WeakPolarHBondContact CB-OE1 3.49Å; R140-E142 WeakPolarHBondContact CD-OE1 3.16Å; R140-E142 WeakPolarHBondContact CG-OE1 3.48Å; R140-E142 PolarHBondContact N-OE2 3.15Å; E142-Y144 HydrophobicContact CB-CE2 3.72Å; E142-Y144 WeakPolarHBondContact O-CD2 3.07Å; E142-Y144 WeakPolarHBondContact O-CE2 3.47Å | ||
| 143 | Q | 96.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.3 | -177.9 | -68.8 | 178.9 | 51.4 | 0 | 0 | 110.8 | M119 A135 L137 | M119-Q143 HydrophobicContact CB-CG 4.41Å; M119-Q143 HydrophobicContact CE-CG 4.4Å; A135-Q143 HydrophobicContact CB-CB 4.06Å; A135-Q143 HydrophobicContact CB-CG 4.47Å; L137-Q143 HydrophobicContact CD2-CG 3.75Å |
| 144 | Y | 97 | Very high | 93.7 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.6 | 177.1 | -60.5 | -83.5 | 0 | 0 | 0 | 109.3 | A135 C136 E142 M148 F150 C159 | A135-Y144 WeakPolarHBondContact CA-O 3.12Å; A135-Y144 WeakPolarHBondContact CB-O 3.27Å; C136-Y144 PolarHBondContact N-O 2.79Å; C136-Y144 PolarHBondContact O-N 2.89Å; E142-Y144 HydrophobicContact CB-CE2 3.72Å; E142-Y144 WeakPolarHBondContact O-CD2 3.07Å; E142-Y144 WeakPolarHBondContact O-CE2 3.47Å; Y144-M148 HydrophobicContact CD1-CB 4.45Å; Y144-M148 HydrophobicContact CD1-CE 4.41Å; Y144-F150 HydrophobicContact CD1-CB 3.63Å; Y144-F150 HydrophobicContact CD1-CD1 4.17Å; Y144-F150 HydrophobicContact CD1-CG 4.2Å; Y144-F150 HydrophobicContact CD2-CB 3.79Å; Y144-F150 AromaticContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD2 4.19Å; Y144-F150 HydrophobicContact CD2-CE1 4.37Å; Y144-F150 AromaticContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CE1-CB 3.37Å; Y144-F150 HydrophobicContact CE1-CG 4.29Å; Y144-F150 HydrophobicContact CE2-CB 3.55Å; Y144-F150 HydrophobicContact CE2-CD1 4.31Å; Y144-F150 HydrophobicContact CE2-CD2 4.1Å; Y144-F150 AromaticContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CG-CB 3.82Å; Y144-F150 AromaticContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CE1 4.45Å; Y144-F150 AromaticContact CG-CG 3.87Å; Y144-F150 HydrophobicContact CG-CG 3.87Å; Y144-C159 PolarHBondContact O-SG 3.11Å; Y144-C159 VanDerWaalsContact O-SG 3.35Å |
| 145 | G | 94.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 26% | 0.258 | 33% | 0.329 | S | S | . | . | trans | -67.2 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A147 M148 C159 | G145-A147 PolarHBondContact O-N 2.77Å; G145-M148 PolarHBondContact N-SD 2.94Å; G145-M148 WeakPolarHBondContact O-CB 3.2Å; G145-M148 PolarHBondContact O-N 3.34Å; G145-M148 VanDerWaalsContact O-N 3.1Å; G145-C159 WeakPolarHBondContact O-CB 3.42Å | ||
| 146 | K | 92.5 | Very high | 93.4 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 139.2 | 178.4 | -62.9 | -179 | -177.9 | -178.5 | 0 | 110.9 | M148 C159 L166 | K146-M148 PolarHBondContact O-N 3.3Å; K146-M148 VanDerWaalsContact O-N 3.1Å; K146-C159 CarbonylContact C-O 3.59Å; K146-L166 HydrophobicContact CG-CD1 4.03Å |
| 147 | A | 93.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 62 Ų | 62 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -3.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | G145 C159 | G145-A147 PolarHBondContact O-N 2.77Å; A147-C159 WeakPolarHBondContact CA-O 3.47Å; A147-C159 PolarHBondContact N-O 3.16Å |
| 148 | M | 96.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | trans | -70.9 | 141.9 | 176.6 | -64.1 | -176.3 | 72.4 | 0 | 0 | 111.2 | Y144 G145 K146 Q158 C159 | Y144-M148 HydrophobicContact CD1-CB 4.45Å; Y144-M148 HydrophobicContact CD1-CE 4.41Å; G145-M148 PolarHBondContact N-SD 2.94Å; G145-M148 WeakPolarHBondContact O-CB 3.2Å; G145-M148 PolarHBondContact O-N 3.34Å; G145-M148 VanDerWaalsContact O-N 3.1Å; K146-M148 PolarHBondContact O-N 3.3Å; K146-M148 VanDerWaalsContact O-N 3.1Å; M148-Q158 WeakPolarHBondContact O-CA 3.33Å; M148-C159 PolarHBondContact O-N 3.09Å | ||
| 149 | K | 95.5 | Very high | 93.3 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 149.3 | 174.6 | -65.7 | -176.2 | -178.5 | -177.2 | 0 | 111.1 | V156 Y157 Q158 V171 | K149-V156 HydrophobicContact CB-CG1 4.19Å; K149-V156 HydrophobicContact CD-CG1 4.16Å; K149-V156 HydrophobicContact CG-CG1 4.48Å; K149-Y157 CarbonylContact C-O 3.46Å; K149-Y157 WeakPolarHBondContact CA-O 3.4Å; K149-Q158 HydrophobicContact CG-CB 4.25Å; K149-Q158 HydrophobicContact CG-CG 4.25Å; K149-V171 HydrophobicContact CD-CG2 4.43Å |
| 150 | F | 95.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.4 | 174.3 | 62.6 | -82.6 | 0 | 0 | 0 | 111.5 | C136 Y144 Y157 C159 Q168 | C136-F150 HydrophobicContact CB-CE1 3.89Å; C136-F150 HydrophobicContact CB-CZ 4.19Å; Y144-F150 HydrophobicContact CD1-CB 3.63Å; Y144-F150 HydrophobicContact CD1-CD1 4.17Å; Y144-F150 HydrophobicContact CD1-CG 4.2Å; Y144-F150 HydrophobicContact CD2-CB 3.79Å; Y144-F150 AromaticContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD2 4.19Å; Y144-F150 HydrophobicContact CD2-CE1 4.37Å; Y144-F150 AromaticContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CE1-CB 3.37Å; Y144-F150 HydrophobicContact CE1-CG 4.29Å; Y144-F150 HydrophobicContact CE2-CB 3.55Å; Y144-F150 HydrophobicContact CE2-CD1 4.31Å; Y144-F150 HydrophobicContact CE2-CD2 4.1Å; Y144-F150 AromaticContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CG-CB 3.82Å; Y144-F150 AromaticContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CE1 4.45Å; Y144-F150 AromaticContact CG-CG 3.87Å; Y144-F150 HydrophobicContact CG-CG 3.87Å; F150-Y157 HydrophobicContact CE2-CD2 4.3Å; F150-Y157 HydrophobicContact CE2-CG 4.22Å; F150-Y157 VanDerWaalsContact CZ-CB 3.46Å; F150-Y157 HydrophobicContact CZ-CG 4.16Å; F150-Y157 PolarHBondContact N-O 2.79Å; F150-Y157 PolarHBondContact O-N 2.91Å; F150-C159 HydrophobicContact CE1-CB 4.44Å; F150-Q168 HydrophobicContact CZ-CB 4.48Å; F150-Q168 HydrophobicContact CZ-CG 4Å |
| 151 | K | 92.7 | Very high | 93.5 | Very high | 104 Ų | 104 | 52 Ų | 52 | 45% | 0.452 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.4 | -177.9 | -66.4 | 173.9 | -179.4 | 171.1 | 0 | 110.3 | V155 V156 V174 E179 | K151-V155 WeakPolarHBondContact CA-O 3.42Å; K151-V156 HydrophobicContact CG-CG2 4.48Å; K151-V174 HydrophobicContact CD-CG2 3.92Å; K151-V174 HydrophobicContact CG-CG2 4.04Å; K151-E179 VanDerWaalsContact CE-CD 3.47Å; K151-E179 WeakPolarHBondContact CE-OE1 3.42Å; K151-E179 IonicContact NZ-OE1 3.32Å; K151-E179 PolarHBondContact NZ-OE1 2.89Å |
| 152 | R | 89.8 | Confident | 93.3 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 107.8 | 167.4 | 166.6 | 179.5 | -68.3 | 140 | 5.6 | 107.1 | Y117 L137 D139 N154 V155 Y157 | Y117-R152 VanDerWaalsContact CD1-NH1 3.32Å; L137-R152 PolarHBondContact O-NH2 3.45Å; D139-R152 IonicContact OD1-CZ 2.67Å; D139-R152 VanDerWaalsContact OD1-CZ 3.32Å; D139-R152 IonicContact OD1-NE 2.76Å; D139-R152 PolarHBondContact OD1-NE 3.34Å; D139-R152 IonicContact OD1-NH2 2.79Å; D139-R152 PolarHBondContact OD1-NH2 2.82Å; D139-R152 VanDerWaalsContact OD1-NH2 3.1Å; D139-R152 WeakPolarHBondContact OD2-CG 3.13Å; D139-R152 IonicContact OD2-NE 3.1Å; R152-N154 PolarHBondContact O-N 3.04Å; R152-V155 PolarHBondContact N-O 2.88Å; R152-V155 PolarHBondContact O-N 2.81Å; R152-V155 VanDerWaalsContact O-N 3.17Å; R152-Y157 HydrophobicContact CB-CD2 3.98Å; R152-Y157 HydrophobicContact CB-CE2 3.81Å; R152-Y157 HydrophobicContact CG-CE2 4.32Å |
| 153 | G | 88.5 | Confident | 92.9 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -126.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V155 | G153-V155 VanDerWaalsContact C-N 3.35Š|
| 154 | N | 90.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 15 | 179.7 | 64.3 | -15.8 | 0 | 0 | 0 | 114 | R152 C173 V174 | R152-N154 PolarHBondContact O-N 3.04Å; N154-C173 CarbonylContact O-C 3.58Å; N154-C173 VanDerWaalsContact O-CA 3.29Å; N154-C173 WeakPolarHBondContact O-CA 3.24Å; N154-V174 PolarHBondContact O-N 2.85Å |
| 155 | V | 92.1 | Very high | 92 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.1 | -178.7 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | K151 R152 G153 Y157 A170 V203 | K151-V155 WeakPolarHBondContact CA-O 3.42Å; R152-V155 PolarHBondContact N-O 2.88Å; R152-V155 PolarHBondContact O-N 2.81Å; R152-V155 VanDerWaalsContact O-N 3.17Å; G153-V155 VanDerWaalsContact C-N 3.35Å; V155-Y157 HydrophobicContact CB-CD2 4.37Å; V155-Y157 HydrophobicContact CB-CE2 3.69Å; V155-Y157 HydrophobicContact CG1-CD2 3.92Å; V155-Y157 HydrophobicContact CG1-CE1 4.25Å; V155-Y157 HydrophobicContact CG1-CE2 3.4Å; V155-Y157 VanDerWaalsContact CG1-CE2 3.4Å; V155-A170 HydrophobicContact CG1-CB 3.91Å; V155-V203 HydrophobicContact CB-CG2 4.33Å; V155-V203 HydrophobicContact CG1-CG2 3.48Å; V155-V203 VanDerWaalsContact CG1-CG2 3.48Å; V155-V203 HydrophobicContact CG2-CG2 3.96Å |
| 156 | V | 93.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.9 | 170.3 | -174 | 0 | 0 | 0 | 0 | 108.3 | K149 K151 V171 G172 V174 E179 | K149-V156 HydrophobicContact CB-CG1 4.19Å; K149-V156 HydrophobicContact CD-CG1 4.16Å; K149-V156 HydrophobicContact CG-CG1 4.48Å; K151-V156 HydrophobicContact CG-CG2 4.48Å; V156-V171 HydrophobicContact CB-CG2 4.44Å; V156-V171 HydrophobicContact CG1-CG2 4.03Å; V156-V171 WeakPolarHBondContact O-CG2 3.23Å; V156-V171 PolarHBondContact O-N 2.93Å; V156-G172 PolarHBondContact N-O 3.19Å; V156-G172 PolarHBondContact O-N 3.02Å; V156-V174 HydrophobicContact CG2-CG2 3.66Å; V156-E179 HydrophobicContact CG2-CB 4.48Å; V156-E179 HydrophobicContact CG2-CG 3.92Å |
| 157 | Y | 92.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 150.3 | 172.8 | -70 | -87.8 | 0 | 0 | 0 | 110.4 | M28 K149 F150 R152 V155 Q168 K169 A170 | M28-Y157 WeakPolarHBondContact CB-OH 3.05Å; M28-Y157 WeakPolarHBondContact CG-OH 3.36Å; K149-Y157 CarbonylContact C-O 3.46Å; K149-Y157 WeakPolarHBondContact CA-O 3.4Å; F150-Y157 HydrophobicContact CE2-CD2 4.3Å; F150-Y157 HydrophobicContact CE2-CG 4.22Å; F150-Y157 VanDerWaalsContact CZ-CB 3.46Å; F150-Y157 HydrophobicContact CZ-CG 4.16Å; F150-Y157 PolarHBondContact N-O 2.79Å; F150-Y157 PolarHBondContact O-N 2.91Å; R152-Y157 HydrophobicContact CB-CD2 3.98Å; R152-Y157 HydrophobicContact CB-CE2 3.81Å; R152-Y157 HydrophobicContact CG-CE2 4.32Å; V155-Y157 HydrophobicContact CB-CD2 4.37Å; V155-Y157 HydrophobicContact CB-CE2 3.69Å; V155-Y157 HydrophobicContact CG1-CD2 3.92Å; V155-Y157 HydrophobicContact CG1-CE1 4.25Å; V155-Y157 HydrophobicContact CG1-CE2 3.4Å; V155-Y157 VanDerWaalsContact CG1-CE2 3.4Å; Y157-Q168 HydrophobicContact CD1-CB 4.09Å; Y157-K169 CarbonylContact C-O 3.47Å; Y157-K169 VanDerWaalsContact CA-O 3.3Å; Y157-K169 WeakPolarHBondContact CA-O 3.48Å; Y157-A170 HydrophobicContact CD1-CB 4.22Å; Y157-A170 HydrophobicContact CE1-CB 3.89Å |
| 158 | Q | 94.4 | Very high | 91.7 | Very high | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.4 | 166.1 | -172.1 | 174 | -35.8 | 0 | 0 | 108.7 | M148 K149 S160 K169 V171 | M148-Q158 WeakPolarHBondContact O-CA 3.33Å; K149-Q158 HydrophobicContact CG-CB 4.25Å; K149-Q158 HydrophobicContact CG-CG 4.25Å; Q158-S160 PolarHBondContact NE2-OG 3.42Å; Q158-S160 PolarHBondContact O-N 2.96Å; Q158-K169 PolarHBondContact N-O 3.26Å; Q158-K169 PolarHBondContact O-N 3.27Å; Q158-V171 HydrophobicContact CB-CB 4.4Å; Q158-V171 HydrophobicContact CB-CG1 3.66Å; Q158-V171 HydrophobicContact CB-CG2 3.83Å |
| 159 | C | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 98.3 | 172.9 | -165.7 | 0 | 0 | 0 | 0 | 109.5 | C136 Y144 G145 K146 A147 M148 F150 L166 | C136-C159 HydrophobicContact CB-CB 3.58Å; C136-C159 WeakPolarHBondContact CB-SG 3.09Å; C136-C159 PolarHBondContact N-SG 3.22Å; C136-C159 WeakPolarHBondContact SG-CA 3.37Å; C136-C159 WeakPolarHBondContact SG-CB 3.33Å; C136-C159 CovalentContact SG-SG 2.03Å; C136-C159 PolarHBondContact SG-SG 2.78Å; Y144-C159 PolarHBondContact O-SG 3.11Å; Y144-C159 VanDerWaalsContact O-SG 3.35Å; G145-C159 WeakPolarHBondContact O-CB 3.42Å; K146-C159 CarbonylContact C-O 3.59Å; A147-C159 WeakPolarHBondContact CA-O 3.47Å; A147-C159 PolarHBondContact N-O 3.16Å; M148-C159 PolarHBondContact O-N 3.09Å; F150-C159 HydrophobicContact CE1-CB 4.44Å; C159-L166 WeakPolarHBondContact SG-CD2 3.38Å; C159-L166 WeakPolarHBondContact SG-CG 3.19Å |
| 160 | S | 93.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 46 Ų | 46 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.3 | -169.6 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | Q158 I167 | Q158-S160 PolarHBondContact NE2-OG 3.42Å; Q158-S160 PolarHBondContact O-N 2.96Å; S160-I167 PolarHBondContact N-O 2.86Å; S160-I167 VanDerWaalsContact O-CG1 3.24Å; S160-I167 WeakPolarHBondContact O-CG1 3.46Å; S160-I167 PolarHBondContact O-N 3.45Å |
| 161 | P | 91.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 49% | 0.494 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.1 | 167.7 | 30.2 | -32.8 | 0 | 0 | 0 | 110 | R165 | P161-R165 WeakPolarHBondContact CA-O 3.32Å |
| 162 | E | 87 | Confident | 91.2 | Very high | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 98.5 | 170.4 | -173.4 | 169 | -156.7 | 0 | 0 | 107.9 | Y32 D164 R165 I167 | Y32-E162 WeakPolarHBondContact CE1-OE2 3.34Å; E162-D164 PolarHBondContact O-N 3.26Å; E162-R165 PolarHBondContact N-O 3.12Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 VanDerWaalsContact O-N 3.16Å; E162-I167 HydrophobicContact CB-CD1 4.35Å; E162-I167 HydrophobicContact CB-CG1 4.14Å; E162-I167 HydrophobicContact CB-CG2 4.07Å; E162-I167 WeakPolarHBondContact OE2-CD1 3.06Å; E162-I167 WeakPolarHBondContact OE2-CG2 3.45Å |
| 163 | G | 87.3 | Confident | 91.5 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 76% | 0.763 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | -130 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R165 | G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.4Å |
| 164 | D | 85.9 | Confident | 91.8 | Very high | 108 Ų | 108 | 38.6 Ų | 38.6 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.8 | 178.6 | -60.3 | -45.2 | 0 | 0 | 0 | 114 | Y35 E162 | Y35-D164 HydrophobicContact CD1-CB 3.62Å; Y35-D164 HydrophobicContact CD2-CB 3.77Å; Y35-D164 WeakPolarHBondContact CD2-O 3.35Å; Y35-D164 HydrophobicContact CE1-CB 3.55Å; Y35-D164 HydrophobicContact CE2-CB 3.72Å; Y35-D164 HydrophobicContact CG-CB 3.72Å; E162-D164 PolarHBondContact O-N 3.26Å |
| 165 | R | 89.3 | Confident | 92 | Very high | 126 Ų | 126 | 36.3 Ų | 36.3 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 159.2 | -176.5 | -65.7 | 176.1 | -177.8 | 176.8 | 2 | 111.2 | S33 P161 E162 G163 | S33-R165 VanDerWaalsContact O-CD 3.32Å; S33-R165 WeakPolarHBondContact O-CD 3.44Å; P161-R165 WeakPolarHBondContact CA-O 3.32Å; E162-R165 PolarHBondContact N-O 3.12Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 VanDerWaalsContact O-N 3.16Å; G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.4Å |
| 166 | L | 91.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.5 | 169.6 | -157.2 | 63.1 | 0 | 0 | 0 | 108.9 | S33 F118 A133 K146 C159 | S33-L166 VanDerWaalsContact CB-O 3.3Å; S33-L166 WeakPolarHBondContact CB-O 2.99Å; S33-L166 PolarHBondContact N-O 3.23Å; S33-L166 PolarHBondContact OG-N 2.93Å; S33-L166 PolarHBondContact OG-O 3.43Å; F118-L166 HydrophobicContact CD1-CB 4.3Å; F118-L166 HydrophobicContact CD1-CD2 4.23Å; F118-L166 HydrophobicContact CD1-CG 4.46Å; F118-L166 HydrophobicContact CE1-CB 4.17Å; F118-L166 HydrophobicContact CE1-CG 4.34Å; F118-L166 WeakPolarHBondContact CE1-O 3.41Å; F118-L166 WeakPolarHBondContact CZ-O 3.12Å; A133-L166 HydrophobicContact CB-CB 3.74Å; A133-L166 HydrophobicContact CB-CD2 4.01Å; K146-L166 HydrophobicContact CG-CD1 4.03Å; C159-L166 WeakPolarHBondContact SG-CD2 3.38Å; C159-L166 WeakPolarHBondContact SG-CG 3.19Å |
| 167 | I | 91.6 | Very high | 92 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.5 | 176.3 | 63.2 | 152.5 | 0 | 0 | 0 | 110.9 | K31 Y32 S160 E162 K169 | K31-I167 WeakPolarHBondContact O-CA 3.4Å; Y32-I167 HydrophobicContact CD1-CG2 3.46Å; Y32-I167 VanDerWaalsContact CD1-CG2 3.46Å; Y32-I167 HydrophobicContact CE1-CG2 3.79Å; Y32-I167 HydrophobicContact CG-CG2 4.12Å; S160-I167 PolarHBondContact N-O 2.86Å; S160-I167 VanDerWaalsContact O-CG1 3.24Å; S160-I167 WeakPolarHBondContact O-CG1 3.46Å; S160-I167 PolarHBondContact O-N 3.45Å; E162-I167 HydrophobicContact CB-CD1 4.35Å; E162-I167 HydrophobicContact CB-CG1 4.14Å; E162-I167 HydrophobicContact CB-CG2 4.07Å; E162-I167 WeakPolarHBondContact OE2-CD1 3.06Å; E162-I167 WeakPolarHBondContact OE2-CG2 3.45Å; I167-K169 HydrophobicContact CD1-CB 3.95Å; I167-K169 HydrophobicContact CD1-CD 4.43Å; I167-K169 HydrophobicContact CD1-CG 4.43Å; I167-K169 PolarHBondContact O-N 2.98Å |
| 168 | Q | 91.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 94.6 | 166 | -65.5 | -165.2 | -9.6 | 0 | 0 | 108.7 | G30 K31 Y117 F118 C136 L137 F150 Y157 | G30-Q168 WeakPolarHBondContact CA-O 3.26Å; K31-Q168 PolarHBondContact O-N 2.84Å; Y117-Q168 PolarHBondContact O-NE2 2.77Å; F118-Q168 HydrophobicContact CE1-CG 3.95Å; F118-Q168 HydrophobicContact CZ-CG 4.1Å; C136-Q168 HydrophobicContact CB-CG 3.99Å; L137-Q168 PolarHBondContact O-NE2 3.37Å; F150-Q168 HydrophobicContact CZ-CB 4.48Å; F150-Q168 HydrophobicContact CZ-CG 4Å; Y157-Q168 HydrophobicContact CD1-CB 4.09Å |
| 169 | K | 90.6 | Very high | 92.2 | Very high | 102 Ų | 102 | 50.7 Ų | 50.7 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.1 | -179.4 | -169.1 | 172.8 | -176 | 171.8 | 0 | 109.8 | Y157 Q158 I167 V171 | Y157-K169 CarbonylContact C-O 3.47Å; Y157-K169 VanDerWaalsContact CA-O 3.3Å; Y157-K169 WeakPolarHBondContact CA-O 3.48Å; Q158-K169 PolarHBondContact N-O 3.26Å; Q158-K169 PolarHBondContact O-N 3.27Å; I167-K169 HydrophobicContact CD1-CB 3.95Å; I167-K169 HydrophobicContact CD1-CD 4.43Å; I167-K169 HydrophobicContact CD1-CG 4.43Å; I167-K169 PolarHBondContact O-N 2.98Å; K169-V171 HydrophobicContact CB-CG1 4.31Å; K169-V171 HydrophobicContact CD-CG1 4.37Å; K169-V171 HydrophobicContact CG-CG1 4.11Å; K169-V171 PolarHBondContact O-N 3.01Å |
| 170 | A | 91.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V155 Y157 V203 | V155-A170 HydrophobicContact CG1-CB 3.91Å; Y157-A170 HydrophobicContact CD1-CB 4.22Å; Y157-A170 HydrophobicContact CE1-CB 3.89Å; A170-V203 HydrophobicContact CB-CB 4.29Å; A170-V203 HydrophobicContact CB-CG1 3.72Å; A170-V203 HydrophobicContact CB-CG2 3.71Å |
| 171 | V | 92.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -9.6 | -172.9 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | K149 V156 Q158 K169 V182 | K149-V171 HydrophobicContact CD-CG2 4.43Å; V156-V171 HydrophobicContact CB-CG2 4.44Å; V156-V171 HydrophobicContact CG1-CG2 4.03Å; V156-V171 WeakPolarHBondContact O-CG2 3.23Å; V156-V171 PolarHBondContact O-N 2.93Å; Q158-V171 HydrophobicContact CB-CB 4.4Å; Q158-V171 HydrophobicContact CB-CG1 3.66Å; Q158-V171 HydrophobicContact CB-CG2 3.83Å; K169-V171 HydrophobicContact CB-CG1 4.31Å; K169-V171 HydrophobicContact CD-CG1 4.37Å; K169-V171 HydrophobicContact CG-CG1 4.11Å; K169-V171 PolarHBondContact O-N 3.01Å; V171-V182 WeakPolarHBondContact O-CG2 3.49Å; V171-V182 PolarHBondContact O-N 2.9Å |
| 172 | G | 94.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | -180 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V156 V180 C195 | V156-G172 PolarHBondContact N-O 3.19Å; V156-G172 PolarHBondContact O-N 3.02Å; G172-V180 CarbonylContact C-O 3.47Å; G172-V180 WeakPolarHBondContact CA-O 3.21Å; G172-C195 VanDerWaalsContact C-SG 3.51Å |
| 173 | C | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.7 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | N154 I175 E179 V180 C195 V205 | N154-C173 CarbonylContact O-C 3.58Å; N154-C173 VanDerWaalsContact O-CA 3.29Å; N154-C173 WeakPolarHBondContact O-CA 3.24Å; C173-I175 HydrophobicContact CB-CD1 4.39Å; C173-I175 HydrophobicContact CB-CG1 4.15Å; C173-E179 CarbonylContact O-C 3.53Å; C173-E179 WeakPolarHBondContact O-CA 3.5Å; C173-V180 PolarHBondContact N-O 3.5Å; C173-V180 PolarHBondContact O-N 2.98Å; C173-C195 HydrophobicContact CB-CB 3.63Å; C173-C195 WeakPolarHBondContact CB-SG 3.46Å; C173-C195 PolarHBondContact N-SG 2.05Å; C173-C195 WeakPolarHBondContact SG-CA 3.33Å; C173-C195 WeakPolarHBondContact SG-CB 3.38Å; C173-C195 CovalentContact SG-SG 2.05Å; C173-C195 PolarHBondContact SG-SG 3.08Å; C173-V205 HydrophobicContact CB-CG2 3.65Å |
| 174 | V | 95.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.8 | 168.3 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | K151 N154 V156 I178 E179 | K151-V174 HydrophobicContact CD-CG2 3.92Å; K151-V174 HydrophobicContact CG-CG2 4.04Å; N154-V174 PolarHBondContact O-N 2.85Å; V156-V174 HydrophobicContact CG2-CG2 3.66Å; V174-I178 CarbonylContact C-O 3.49Å; V174-I178 WeakPolarHBondContact CA-O 3.43Å; V174-E179 HydrophobicContact CG2-CG 4.39Å |
| 175 | I | 94.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 112.2 | -176.1 | -54.3 | 177.2 | 0 | 0 | 0 | 107.6 | C173 G177 I178 V180 V186 V188 Y193 V205 | C173-I175 HydrophobicContact CB-CD1 4.39Å; C173-I175 HydrophobicContact CB-CG1 4.15Å; I175-G177 PolarHBondContact O-N 2.95Å; I175-I178 PolarHBondContact N-O 2.89Å; I175-I178 WeakPolarHBondContact O-CB 3.45Å; I175-I178 PolarHBondContact O-N 2.56Å; I175-V180 HydrophobicContact CB-CG2 4.34Å; I175-V180 HydrophobicContact CD1-CB 4.17Å; I175-V180 HydrophobicContact CD1-CG1 4.46Å; I175-V180 HydrophobicContact CD1-CG2 4.01Å; I175-V180 HydrophobicContact CG1-CG2 4.26Å; I175-V186 HydrophobicContact CB-CG1 3.91Å; I175-V186 HydrophobicContact CD1-CG1 3.91Å; I175-V186 HydrophobicContact CG1-CG1 4.48Å; I175-V186 HydrophobicContact CG2-CG1 3.77Å; I175-V188 HydrophobicContact CG2-CG2 4.13Å; I175-Y193 HydrophobicContact CG2-CD1 4.42Å; I175-Y193 HydrophobicContact CG2-CD2 4.13Å; I175-Y193 HydrophobicContact CG2-CG 3.91Å; I175-V205 HydrophobicContact CD1-CG1 3.83Å; I175-V205 HydrophobicContact CD1-CG2 4.14Å; I175-V205 HydrophobicContact CG1-CB 4.43Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG1-CG2 3.69Å; I175-V205 HydrophobicContact CG2-CG1 4.45Å |
| 176 | N | 93.3 | Very high | 94 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44.7 | -175.3 | -163.4 | 45.7 | 0 | 0 | 0 | 113 | I178 V188 | N176-I178 PolarHBondContact O-N 2.85Å; N176-V188 HydrophobicContact CB-CB 4.49Å; N176-V188 HydrophobicContact CB-CG1 3.79Å; N176-V188 HydrophobicContact CB-CG2 3.86Å; N176-V188 WeakPolarHBondContact ND2-CG1 3.46Å |
| 177 | G | 93.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -11.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I175 | I175-G177 PolarHBondContact O-N 2.95Š|
| 178 | I | 94.6 | Very high | 94.3 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.8 | -178.3 | -55.5 | 170.5 | 0 | 0 | 0 | 109.8 | V174 I175 N176 V180 V186 | V174-I178 CarbonylContact C-O 3.49Å; V174-I178 WeakPolarHBondContact CA-O 3.43Å; I175-I178 PolarHBondContact N-O 2.89Å; I175-I178 WeakPolarHBondContact O-CB 3.45Å; I175-I178 PolarHBondContact O-N 2.56Å; N176-I178 PolarHBondContact O-N 2.85Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; I178-V186 HydrophobicContact CD1-CG2 4.01Å; I178-V186 HydrophobicContact CG2-CG2 4.44Å |
| 179 | E | 95.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.5 | 170.2 | -69.7 | -176.9 | -148.2 | 0 | 0 | 110.7 | K151 V156 C173 V174 | K151-E179 VanDerWaalsContact CE-CD 3.47Å; K151-E179 WeakPolarHBondContact CE-OE1 3.42Å; K151-E179 IonicContact NZ-OE1 3.32Å; K151-E179 PolarHBondContact NZ-OE1 2.89Å; V156-E179 HydrophobicContact CG2-CB 4.48Å; V156-E179 HydrophobicContact CG2-CG 3.92Å; C173-E179 CarbonylContact O-C 3.53Å; C173-E179 WeakPolarHBondContact O-CA 3.5Å; V174-E179 HydrophobicContact CG2-CG 4.39Å |
| 180 | V | 96.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.2 | -177 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | G172 C173 I175 I178 R184 V186 C195 | G172-V180 CarbonylContact C-O 3.47Å; G172-V180 WeakPolarHBondContact CA-O 3.21Å; C173-V180 PolarHBondContact N-O 3.5Å; C173-V180 PolarHBondContact O-N 2.98Å; I175-V180 HydrophobicContact CB-CG2 4.34Å; I175-V180 HydrophobicContact CD1-CB 4.17Å; I175-V180 HydrophobicContact CD1-CG1 4.46Å; I175-V180 HydrophobicContact CD1-CG2 4.01Å; I175-V180 HydrophobicContact CG1-CG2 4.26Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; V180-R184 HydrophobicContact CG1-CB 3.8Å; V180-R184 WeakPolarHBondContact CG1-O 3.23Å; V180-V186 HydrophobicContact CG2-CB 3.86Å; V180-V186 HydrophobicContact CG2-CG1 3.76Å; V180-V186 HydrophobicContact CG2-CG2 4.5Å; V180-C195 HydrophobicContact CB-CB 4.38Å; V180-C195 HydrophobicContact CG1-CB 4.07Å |
| 181 | D | 96.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 55 Ų | 55 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 153.4 | 176.6 | -70.5 | -30.5 | 0 | 0 | 0 | 111.6 | H183 R184 | D181-H183 PolarHBondContact O-N 2.75Å; D181-R184 HydrophobicContact CB-CB 4.47Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 VanDerWaalsContact O-CB 3.25Å; D181-R184 WeakPolarHBondContact O-CB 3.25Å; D181-R184 PolarHBondContact O-N 3.01Å |
| 182 | V | 93.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 138.2 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | V171 R184 R197 V203 | V171-V182 WeakPolarHBondContact O-CG2 3.49Å; V171-V182 PolarHBondContact O-N 2.9Å; V182-R184 PolarHBondContact O-N 3.25Å; V182-R197 HydrophobicContact CG1-CG 3.48Å; V182-R197 VanDerWaalsContact CG1-CG 3.48Å; V182-V203 HydrophobicContact CG2-CB 4.28Å; V182-V203 HydrophobicContact CG2-CG1 3.45Å; V182-V203 VanDerWaalsContact CG2-CG1 3.45Å |
| 183 | H | 93.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -1.2 | -171.6 | -53.6 | -60.2 | 0 | 0 | 0 | 116 | D181 K194 C195 | D181-H183 PolarHBondContact O-N 2.75Å; H183-K194 WeakPolarHBondContact O-CE 3.29Å; H183-C195 VanDerWaalsContact CA-O 3.25Å; H183-C195 WeakPolarHBondContact CA-O 3.37Å; H183-C195 PolarHBondContact N-O 3Å |
| 184 | R | 97.1 | Very high | 94.9 | Very high | 174 Ų | 174 | 59.8 Ų | 59.8 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | trans | -86.5 | 160.6 | 170.5 | -58 | -60.9 | -172.6 | 170.4 | 0.2 | 111.3 | V180 D181 V182 K194 C195 | V180-R184 HydrophobicContact CG1-CB 3.8Å; V180-R184 WeakPolarHBondContact CG1-O 3.23Å; D181-R184 HydrophobicContact CB-CB 4.47Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 VanDerWaalsContact O-CB 3.25Å; D181-R184 WeakPolarHBondContact O-CB 3.25Å; D181-R184 PolarHBondContact O-N 3.01Å; V182-R184 PolarHBondContact O-N 3.25Å; R184-K194 WeakPolarHBondContact O-CA 3.49Å; R184-K194 WeakPolarHBondContact O-CG 3.08Å; R184-C195 PolarHBondContact O-N 2.96Å | ||
| 185 | A | 95.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W192 Y193 K194 R217 | A185-W192 HydrophobicContact CB-CE3 3.93Å; A185-W192 HydrophobicContact CB-CZ3 4.06Å; A185-Y193 CarbonylContact C-O 3.59Å; A185-Y193 WeakPolarHBondContact CA-O 3.25Å; A185-Y193 WeakPolarHBondContact CB-O 3.05Å; A185-K194 HydrophobicContact CB-CB 4.31Å; A185-K194 HydrophobicContact CB-CG 4.49Å; A185-R217 PolarHBondContact O-NH2 3.35Å |
| 186 | V | 96.7 | Very high | 94.8 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 150.5 | -179 | 69.1 | 0 | 0 | 0 | 0 | 109.6 | I175 I178 V180 V188 W192 Y193 | I175-V186 HydrophobicContact CB-CG1 3.91Å; I175-V186 HydrophobicContact CD1-CG1 3.91Å; I175-V186 HydrophobicContact CG1-CG1 4.48Å; I175-V186 HydrophobicContact CG2-CG1 3.77Å; I178-V186 HydrophobicContact CD1-CG2 4.01Å; I178-V186 HydrophobicContact CG2-CG2 4.44Å; V180-V186 HydrophobicContact CG2-CB 3.86Å; V180-V186 HydrophobicContact CG2-CG1 3.76Å; V180-V186 HydrophobicContact CG2-CG2 4.5Å; V186-V188 HydrophobicContact CG1-CG2 4.24Å; V186-W192 WeakPolarHBondContact O-CA 2.75Å; V186-Y193 PolarHBondContact N-O 2.78Å; V186-Y193 PolarHBondContact O-N 2.83Å |
| 187 | I | 96 | Very high | 94.7 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 35% | 0.354 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131 | 173.8 | -66.9 | 172.6 | 0 | 0 | 0 | 107.7 | G189 W192 V211 R217 | I187-G189 WeakPolarHBondContact CG2-O 3.49Å; I187-W192 HydrophobicContact CG1-CB 4.05Å; I187-V211 HydrophobicContact CB-CG2 4.4Å; I187-V211 HydrophobicContact CD1-CG1 4.06Å; I187-V211 HydrophobicContact CD1-CG2 4.16Å; I187-V211 HydrophobicContact CG1-CG2 3.89Å; I187-V211 HydrophobicContact CG2-CB 4.41Å; I187-V211 HydrophobicContact CG2-CG1 4.23Å; I187-V211 HydrophobicContact CG2-CG2 3.86Å; I187-R217 HydrophobicContact CD1-CG 4.5Å |
| 188 | V | 93.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 107.3 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | I175 N176 V186 N190 L191 Y193 | I175-V188 HydrophobicContact CG2-CG2 4.13Å; N176-V188 HydrophobicContact CB-CB 4.49Å; N176-V188 HydrophobicContact CB-CG1 3.79Å; N176-V188 HydrophobicContact CB-CG2 3.86Å; N176-V188 WeakPolarHBondContact ND2-CG1 3.46Å; V186-V188 HydrophobicContact CG1-CG2 4.24Å; V188-N190 PolarHBondContact O-N 2.8Å; V188-L191 PolarHBondContact N-O 2.97Å; V188-L191 PolarHBondContact O-N 2.81Å; V188-L191 VanDerWaalsContact O-O 3.13Å; V188-Y193 HydrophobicContact CB-CD2 4.13Å; V188-Y193 HydrophobicContact CB-CE2 3.81Å; V188-Y193 HydrophobicContact CG2-CD2 4.15Å; V188-Y193 HydrophobicContact CG2-CE2 4.27Å |
| 189 | G | 93 | Very high | 93.3 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 68% | 0.68 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -129.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I187 L191 | I187-G189 WeakPolarHBondContact CG2-O 3.49Å; G189-L191 VanDerWaalsContact C-N 3.32Å |
| 190 | N | 93.6 | Very high | 92 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 12.2 | 178.9 | 66.2 | -27.1 | 0 | 0 | 0 | 113.5 | V188 C210 V211 I242 | V188-N190 PolarHBondContact O-N 2.8Å; N190-C210 CarbonylContact O-C 3.56Å; N190-C210 WeakPolarHBondContact O-CA 3.47Å; N190-V211 PolarHBondContact O-N 3.18Å; N190-I242 HydrophobicContact CB-CD1 3.9Å |
| 191 | L | 95.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.8 | -179.4 | -62.9 | 177.2 | 0 | 0 | 0 | 110.2 | V188 G189 Y193 L207 G209 I240 | V188-L191 PolarHBondContact N-O 2.97Å; V188-L191 PolarHBondContact O-N 2.81Å; V188-L191 VanDerWaalsContact O-O 3.13Å; G189-L191 VanDerWaalsContact C-N 3.32Å; L191-Y193 HydrophobicContact CB-CE2 3.81Å; L191-L207 HydrophobicContact CB-CD1 3.86Å; L191-L207 HydrophobicContact CD1-CD1 3.98Å; L191-L207 HydrophobicContact CD1-CD2 4.47Å; L191-L207 HydrophobicContact CD2-CD1 4.35Å; L191-L207 HydrophobicContact CG-CD1 4.28Å; L191-G209 WeakPolarHBondContact CA-O 3.39Å; L191-G209 WeakPolarHBondContact CD2-O 3.47Å; L191-I240 HydrophobicContact CD2-CB 4.32Å; L191-I240 HydrophobicContact CD2-CG2 3.92Å |
| 192 | W | 95.9 | Very high | 90 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 8% | 0.076 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.7 | 172.3 | 70.6 | -79.5 | 0 | 0 | 0 | 111.5 | A185 V186 I187 M208 G209 C210 V211 R217 V218 D219 | A185-W192 HydrophobicContact CB-CE3 3.93Å; A185-W192 HydrophobicContact CB-CZ3 4.06Å; V186-W192 WeakPolarHBondContact O-CA 2.75Å; I187-W192 HydrophobicContact CG1-CB 4.05Å; W192-M208 HydrophobicContact CD2-CB 3.65Å; W192-M208 HydrophobicContact CD2-CG 4.49Å; W192-M208 VanDerWaalsContact CE2-CB 3.49Å; W192-M208 HydrophobicContact CE3-CB 3.53Å; W192-M208 HydrophobicContact CE3-CG 3.89Å; W192-M208 HydrophobicContact CH2-CB 3.2Å; W192-M208 HydrophobicContact CH2-CE 4.18Å; W192-M208 HydrophobicContact CH2-CG 3.69Å; W192-M208 HydrophobicContact CZ2-CB 3.27Å; W192-M208 HydrophobicContact CZ2-CG 4.26Å; W192-M208 HydrophobicContact CZ3-CB 3.33Å; W192-M208 HydrophobicContact CZ3-CG 3.46Å; W192-M208 VanDerWaalsContact CZ3-CG 3.46Å; W192-M208 PolarHBondContact O-N 3.46Å; W192-G209 PolarHBondContact N-O 3.28Å; W192-C210 PolarHBondContact NE1-O 2.97Å; W192-V211 HydrophobicContact CB-CG2 3.79Å; W192-V211 HydrophobicContact CG-CG2 4.25Å; W192-R217 HydrophobicContact CB-CG 4.3Å; W192-R217 HydrophobicContact CD2-CB 4.14Å; W192-R217 HydrophobicContact CD2-CG 4.01Å; W192-R217 HydrophobicContact CG-CB 4.2Å; W192-R217 HydrophobicContact CG-CG 3.88Å; W192-R217 HydrophobicContact CZ2-CB 4.43Å; W192-V218 PolarHBondContact NE1-O 2.84Å; W192-D219 VanDerWaalsContact CZ2-OD1 3.26Å; W192-D219 WeakPolarHBondContact CZ2-OD1 3.37Å |
| 193 | Y | 95.4 | Very high | 89.9 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.8 | -171 | -58.2 | -100.9 | 0 | 0 | 0 | 109.1 | I175 A185 V186 V188 L191 V205 Q206 L207 | I175-Y193 HydrophobicContact CG2-CD1 4.42Å; I175-Y193 HydrophobicContact CG2-CD2 4.13Å; I175-Y193 HydrophobicContact CG2-CG 3.91Å; A185-Y193 CarbonylContact C-O 3.59Å; A185-Y193 WeakPolarHBondContact CA-O 3.25Å; A185-Y193 WeakPolarHBondContact CB-O 3.05Å; V186-Y193 PolarHBondContact N-O 2.78Å; V186-Y193 PolarHBondContact O-N 2.83Å; V188-Y193 HydrophobicContact CB-CD2 4.13Å; V188-Y193 HydrophobicContact CB-CE2 3.81Å; V188-Y193 HydrophobicContact CG2-CD2 4.15Å; V188-Y193 HydrophobicContact CG2-CE2 4.27Å; L191-Y193 HydrophobicContact CB-CE2 3.81Å; Y193-V205 HydrophobicContact CD1-CG1 3.97Å; Y193-Q206 CarbonylContact C-O 3.56Å; Y193-Q206 VanDerWaalsContact CA-O 3.23Å; Y193-Q206 WeakPolarHBondContact CA-O 3.2Å; Y193-L207 HydrophobicContact CD1-CB 4.02Å; Y193-L207 HydrophobicContact CD1-CD1 3.89Å; Y193-L207 HydrophobicContact CE1-CB 3.97Å; Y193-L207 HydrophobicContact CE1-CD1 3.51Å; Y193-L207 HydrophobicContact CE1-CG 4.2Å; Y193-L207 HydrophobicContact CE2-CD1 4.13Å; Y193-L207 HydrophobicContact CG-CD1 4.39Å |
| 194 | K | 95 | Very high | 89.7 | Confident | 68 Ų | 68 | 53 Ų | 53 | 30% | 0.296 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.6 | 175 | -173.7 | 176.8 | -176.3 | 177.4 | 0 | 109.6 | H183 R184 A185 A196 Q206 M208 | H183-K194 WeakPolarHBondContact O-CE 3.29Å; R184-K194 WeakPolarHBondContact O-CA 3.49Å; R184-K194 WeakPolarHBondContact O-CG 3.08Å; A185-K194 HydrophobicContact CB-CB 4.31Å; A185-K194 HydrophobicContact CB-CG 4.49Å; K194-A196 PolarHBondContact O-N 2.83Å; K194-Q206 PolarHBondContact N-O 2.85Å; K194-Q206 PolarHBondContact O-N 3.47Å; K194-M208 HydrophobicContact CB-CG 3.54Å; K194-M208 HydrophobicContact CB-SD 4.05Å |
| 195 | C | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.7 | 164.1 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | G172 C173 V180 H183 R184 | G172-C195 VanDerWaalsContact C-SG 3.51Å; C173-C195 HydrophobicContact CB-CB 3.63Å; C173-C195 WeakPolarHBondContact CB-SG 3.46Å; C173-C195 PolarHBondContact N-SG 2.05Å; C173-C195 WeakPolarHBondContact SG-CA 3.33Å; C173-C195 WeakPolarHBondContact SG-CB 3.38Å; C173-C195 CovalentContact SG-SG 2.05Å; C173-C195 PolarHBondContact SG-SG 3.08Å; V180-C195 HydrophobicContact CB-CB 4.38Å; V180-C195 HydrophobicContact CG1-CB 4.07Å; H183-C195 VanDerWaalsContact CA-O 3.25Å; H183-C195 WeakPolarHBondContact CA-O 3.37Å; H183-C195 PolarHBondContact N-O 3Å; R184-C195 PolarHBondContact O-N 2.96Å |
| 196 | A | 92.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K194 V203 S204 Q206 | K194-A196 PolarHBondContact O-N 2.83Å; A196-V203 CarbonylContact O-C 3.5Å; A196-V203 WeakPolarHBondContact O-CA 3.2Å; A196-S204 PolarHBondContact N-O 2.95Å; A196-S204 PolarHBondContact O-N 3.25Å; A196-Q206 VanDerWaalsContact CB-CD 3.42Å; A196-Q206 HydrophobicContact CB-CG 3.97Å |
| 197 | R | 89.7 | Confident | 89.1 | Confident | 151 Ų | 151 | 48.8 Ų | 48.8 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.9 | 166.5 | -72.9 | -169 | 176.8 | 167.5 | 3.3 | 110 | V182 G202 | V182-R197 HydrophobicContact CG1-CG 3.48Å; V182-R197 VanDerWaalsContact CG1-CG 3.48Å; R197-G202 CarbonylContact C-O 3.49Å; R197-G202 WeakPolarHBondContact CA-O 3.39Å |
| 198 | T | 83 | Confident | 89 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 109.8 | 175 | -49 | 0 | 0 | 0 | 0 | 108.8 | V27 G202 S204 | V27-T198 HydrophobicContact CG1-CG2 4.12Å; V27-T198 HydrophobicContact CG2-CG2 3.57Å; T198-G202 PolarHBondContact N-O 2.71Å; T198-G202 CarbonylContact O-C 3.57Å; T198-G202 VanDerWaalsContact O-CA 3.22Å; T198-G202 WeakPolarHBondContact O-CA 3.32Å; T198-G202 PolarHBondContact O-N 3.42Å; T198-G202 VanDerWaalsContact O-N 3.17Å; T198-S204 PolarHBondContact OG1-OG 3.12Å |
| 199 | G | 75.5 | Confident | 89.1 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -155.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 200 | I | 69.9 | Low | 89.3 | Confident | 164 Ų | 164 | 43.5 Ų | 43.5 | 84% | 0.841 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -39 | -170.9 | -59.3 | 173.5 | 0 | 0 | 0 | 112.5 | ||
| 201 | A | 68.2 | Low | 89.5 | Confident | 38 Ų | 38 | 40 Ų | 40 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | 4.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 202 | G | 82.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 154.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M28 R197 T198 | M28-G202 WeakPolarHBondContact O-CA 3.49Å; R197-G202 CarbonylContact C-O 3.49Å; R197-G202 WeakPolarHBondContact CA-O 3.39Å; T198-G202 PolarHBondContact N-O 2.71Å; T198-G202 CarbonylContact O-C 3.57Å; T198-G202 VanDerWaalsContact O-CA 3.22Å; T198-G202 WeakPolarHBondContact O-CA 3.32Å; T198-G202 PolarHBondContact O-N 3.42Å; T198-G202 VanDerWaalsContact O-N 3.17Å |
| 203 | V | 89.7 | Confident | 89.1 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.1 | 165.8 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | V155 A170 V182 A196 | V155-V203 HydrophobicContact CB-CG2 4.33Å; V155-V203 HydrophobicContact CG1-CG2 3.48Å; V155-V203 VanDerWaalsContact CG1-CG2 3.48Å; V155-V203 HydrophobicContact CG2-CG2 3.96Å; A170-V203 HydrophobicContact CB-CB 4.29Å; A170-V203 HydrophobicContact CB-CG1 3.72Å; A170-V203 HydrophobicContact CB-CG2 3.71Å; V182-V203 HydrophobicContact CG2-CB 4.28Å; V182-V203 HydrophobicContact CG2-CG1 3.45Å; V182-V203 VanDerWaalsContact CG2-CG1 3.45Å; A196-V203 CarbonylContact O-C 3.5Å; A196-V203 WeakPolarHBondContact O-CA 3.2Å |
| 204 | S | 90.2 | Very high | 88.9 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153 | 175.8 | 61 | 0 | 0 | 0 | 0 | 111.1 | A196 T198 | A196-S204 PolarHBondContact N-O 2.95Å; A196-S204 PolarHBondContact O-N 3.25Å; T198-S204 PolarHBondContact OG1-OG 3.12Å |
| 205 | V | 91.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.8 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 108 | C173 I175 Y193 | C173-V205 HydrophobicContact CB-CG2 3.65Å; I175-V205 HydrophobicContact CD1-CG1 3.83Å; I175-V205 HydrophobicContact CD1-CG2 4.14Å; I175-V205 HydrophobicContact CG1-CB 4.43Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG1-CG2 3.69Å; I175-V205 HydrophobicContact CG2-CG1 4.45Å; Y193-V205 HydrophobicContact CD1-CG1 3.97Å |
| 206 | Q | 91.4 | Very high | 88.8 | Confident | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.7 | 175.6 | -65.3 | -174.8 | -14.7 | 0 | 0 | 109.2 | Y193 K194 A196 M208 | Y193-Q206 CarbonylContact C-O 3.56Å; Y193-Q206 VanDerWaalsContact CA-O 3.23Å; Y193-Q206 WeakPolarHBondContact CA-O 3.2Å; K194-Q206 PolarHBondContact N-O 2.85Å; K194-Q206 PolarHBondContact O-N 3.47Å; A196-Q206 VanDerWaalsContact CB-CD 3.42Å; A196-Q206 HydrophobicContact CB-CG 3.97Å; Q206-M208 HydrophobicContact CB-SD 3.76Å; Q206-M208 PolarHBondContact O-N 3.48Å |
| 207 | L | 92.7 | Very high | 89 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 118 | 167.7 | 176.4 | 60.8 | 0 | 0 | 0 | 108.2 | Y21 L191 Y193 I240 | Y21-L207 WeakPolarHBondContact OH-CB 3.16Å; L191-L207 HydrophobicContact CB-CD1 3.86Å; L191-L207 HydrophobicContact CD1-CD1 3.98Å; L191-L207 HydrophobicContact CD1-CD2 4.47Å; L191-L207 HydrophobicContact CD2-CD1 4.35Å; L191-L207 HydrophobicContact CG-CD1 4.28Å; Y193-L207 HydrophobicContact CD1-CB 4.02Å; Y193-L207 HydrophobicContact CD1-CD1 3.89Å; Y193-L207 HydrophobicContact CE1-CB 3.97Å; Y193-L207 HydrophobicContact CE1-CD1 3.51Å; Y193-L207 HydrophobicContact CE1-CG 4.2Å; Y193-L207 HydrophobicContact CE2-CD1 4.13Å; Y193-L207 HydrophobicContact CG-CD1 4.39Å; L207-I240 HydrophobicContact CB-CD1 4.42Å; L207-I240 HydrophobicContact CD2-CB 3.93Å; L207-I240 HydrophobicContact CD2-CD1 3.65Å; L207-I240 HydrophobicContact CD2-CG1 4.12Å; L207-I240 HydrophobicContact CG-CB 4.43Å; L207-I240 HydrophobicContact CG-CD1 3.54Å; L207-I240 HydrophobicContact CG-CG1 4.48Å |
| 208 | M | 94.3 | Very high | 89.3 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -23.7 | -167.8 | -64.3 | -57.1 | -64.1 | 0 | 0 | 113.8 | W192 K194 Q206 V220 | W192-M208 HydrophobicContact CD2-CB 3.65Å; W192-M208 HydrophobicContact CD2-CG 4.49Å; W192-M208 VanDerWaalsContact CE2-CB 3.49Å; W192-M208 HydrophobicContact CE3-CB 3.53Å; W192-M208 HydrophobicContact CE3-CG 3.89Å; W192-M208 HydrophobicContact CH2-CB 3.2Å; W192-M208 HydrophobicContact CH2-CE 4.18Å; W192-M208 HydrophobicContact CH2-CG 3.69Å; W192-M208 HydrophobicContact CZ2-CB 3.27Å; W192-M208 HydrophobicContact CZ2-CG 4.26Å; W192-M208 HydrophobicContact CZ3-CB 3.33Å; W192-M208 HydrophobicContact CZ3-CG 3.46Å; W192-M208 VanDerWaalsContact CZ3-CG 3.46Å; W192-M208 PolarHBondContact O-N 3.46Å; K194-M208 HydrophobicContact CB-CG 3.54Å; K194-M208 HydrophobicContact CB-SD 4.05Å; Q206-M208 HydrophobicContact CB-SD 3.76Å; Q206-M208 PolarHBondContact O-N 3.48Å; M208-V220 WeakPolarHBondContact O-CG2 3.45Å; M208-V220 PolarHBondContact O-N 3.35Å |
| 209 | G | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -154.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L191 W192 V218 | L191-G209 WeakPolarHBondContact CA-O 3.39Å; L191-G209 WeakPolarHBondContact CD2-O 3.47Å; W192-G209 PolarHBondContact N-O 3.28Å; G209-V218 CarbonylContact C-O 3.59Å; G209-V218 WeakPolarHBondContact CA-O 2.89Å |
| 210 | C | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 162.7 | -170.2 | -53 | 0 | 0 | 0 | 0 | 111 | N190 W192 V218 C233 I240 I242 | N190-C210 CarbonylContact O-C 3.56Å; N190-C210 WeakPolarHBondContact O-CA 3.47Å; W192-C210 PolarHBondContact NE1-O 2.97Å; C210-V218 PolarHBondContact N-O 2.77Å; C210-V218 PolarHBondContact O-N 2.86Å; C210-C233 HydrophobicContact CB-CB 3.69Å; C210-C233 WeakPolarHBondContact CB-SG 3.48Å; C210-C233 PolarHBondContact N-SG 2.8Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.3Å; C210-C233 CovalentContact SG-SG 2.05Å; C210-C233 PolarHBondContact SG-SG 3.17Å; C210-I240 WeakPolarHBondContact SG-CG2 3.24Å; C210-I242 HydrophobicContact CB-CD1 4Å; C210-I242 HydrophobicContact CB-CG1 3.64Å |
| 211 | V | 96.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | I187 N190 W192 R216 | I187-V211 HydrophobicContact CB-CG2 4.4Å; I187-V211 HydrophobicContact CD1-CG1 4.06Å; I187-V211 HydrophobicContact CD1-CG2 4.16Å; I187-V211 HydrophobicContact CG1-CG2 3.89Å; I187-V211 HydrophobicContact CG2-CB 4.41Å; I187-V211 HydrophobicContact CG2-CG1 4.23Å; I187-V211 HydrophobicContact CG2-CG2 3.86Å; N190-V211 PolarHBondContact O-N 3.18Å; W192-V211 HydrophobicContact CB-CG2 3.79Å; W192-V211 HydrophobicContact CG-CG2 4.25Å; V211-R216 WeakPolarHBondContact CA-O 3.22Å |
| 212 | A | 94.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | trans | -72.8 | 164 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D214 G215 R216 V218 F224 | A212-D214 WeakPolarHBondContact CB-OD1 3.44Å; A212-D214 PolarHBondContact O-N 2.05Å; A212-D214 VanDerWaalsContact O-N 3.15Å; A212-G215 WeakPolarHBondContact O-CA 3.44Å; A212-G215 PolarHBondContact O-N 3.25Å; A212-R216 HydrophobicContact CB-CB 4.48Å; A212-R216 PolarHBondContact N-O 2.83Å; A212-V218 HydrophobicContact CB-CG2 4.27Å; A212-F224 HydrophobicContact CB-CD2 3.48Å; A212-F224 VanDerWaalsContact CB-CD2 3.48Å; A212-F224 HydrophobicContact CB-CE2 3.69Å; A212-F224 HydrophobicContact CB-CG 4.28Å | ||
| 213 | Q | 90 | Very high | 94.2 | Very high | 166 Ų | 166 | 58 Ų | 58 | 78% | 0.776 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.2 | -175.9 | -170.6 | 177.2 | 5.1 | 0 | 0 | 113.6 | G215 M226 | Q213-G215 PolarHBondContact O-N 2.79Å; Q213-M226 HydrophobicContact CB-CE 3.93Å |
| 214 | D | 90.7 | Very high | 94.5 | Very high | 114 Ų | 114 | 58 Ų | 58 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 1 | 173 | 64.3 | -5.7 | 0 | 0 | 0 | 113.5 | A212 R216 | A212-D214 WeakPolarHBondContact CB-OD1 3.44Å; A212-D214 PolarHBondContact O-N 2.05Å; A212-D214 VanDerWaalsContact O-N 3.15Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 PolarHBondContact OD1-N 3.18Å; D214-R216 IonicContact OD2-NE 3.82Å |
| 215 | G | 92.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 82.4 | 1.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A212 Q213 | A212-G215 WeakPolarHBondContact O-CA 3.44Å; A212-G215 PolarHBondContact O-N 3.25Å; Q213-G215 PolarHBondContact O-N 2.79Å |
| 216 | R | 95 | Very high | 94.8 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | trans | -72.6 | 135.9 | -179.8 | -174.9 | 170.6 | 56.2 | 94.9 | 1.3 | 111.2 | V211 A212 D214 | V211-R216 WeakPolarHBondContact CA-O 3.22Å; A212-R216 HydrophobicContact CB-CB 4.48Å; A212-R216 PolarHBondContact N-O 2.83Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 PolarHBondContact OD1-N 3.18Å; D214-R216 IonicContact OD2-NE 3.82Å | ||
| 217 | R | 96.7 | Very high | 94.8 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.7 | 174.3 | -64 | 174.1 | -174.8 | 167.2 | -1.9 | 110.3 | A185 I187 W192 | A185-R217 PolarHBondContact O-NH2 3.35Å; I187-R217 HydrophobicContact CD1-CG 4.5Å; W192-R217 HydrophobicContact CB-CG 4.3Å; W192-R217 HydrophobicContact CD2-CB 4.14Å; W192-R217 HydrophobicContact CD2-CG 4.01Å; W192-R217 HydrophobicContact CG-CB 4.2Å; W192-R217 HydrophobicContact CG-CG 3.88Å; W192-R217 HydrophobicContact CZ2-CB 4.43Å |
| 218 | V | 97.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | W192 G209 C210 A212 R222 F224 C233 | W192-V218 PolarHBondContact NE1-O 2.84Å; G209-V218 CarbonylContact C-O 3.59Å; G209-V218 WeakPolarHBondContact CA-O 2.89Å; C210-V218 PolarHBondContact N-O 2.77Å; C210-V218 PolarHBondContact O-N 2.86Å; A212-V218 HydrophobicContact CB-CG2 4.27Å; V218-R222 HydrophobicContact CG1-CB 3.74Å; V218-F224 HydrophobicContact CB-CD1 4.25Å; V218-F224 HydrophobicContact CG1-CD1 3.8Å; V218-F224 HydrophobicContact CG1-CE1 4.37Å; V218-F224 HydrophobicContact CG2-CB 4.08Å; V218-F224 HydrophobicContact CG2-CD1 3.92Å; V218-F224 HydrophobicContact CG2-CE1 4.47Å; V218-F224 HydrophobicContact CG2-CG 3.97Å; V218-C233 HydrophobicContact CG1-CB 4.13Å |
| 219 | D | 96.6 | Very high | 95 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 153.7 | 177.3 | -62.9 | -12.6 | 0 | 0 | 0 | 111.2 | W192 G221 R222 | W192-D219 VanDerWaalsContact CZ2-OD1 3.26Å; W192-D219 WeakPolarHBondContact CZ2-OD1 3.37Å; D219-G221 PolarHBondContact O-N 3.48Å; D219-R222 HydrophobicContact CB-CG 4.05Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.35Å; D219-R222 VanDerWaalsContact O-N 3.12Å |
| 220 | V | 95.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.4 | 172.4 | -178 | 0 | 0 | 0 | 0 | 111.1 | M208 R222 A235 I240 | M208-V220 WeakPolarHBondContact O-CG2 3.45Å; M208-V220 PolarHBondContact O-N 3.35Å; V220-R222 PolarHBondContact O-N 2.88Å; V220-A235 HydrophobicContact CG1-CB 3.82Å; V220-I240 HydrophobicContact CG2-CD1 3.29Å; V220-I240 HydrophobicContact CG2-CG1 3.81Å; V220-I240 HydrophobicContact CG2-CG2 4.47Å |
| 221 | G | 95.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 69.5 Ų | 69.5 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -14.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D219 K232 C233 | D219-G221 PolarHBondContact O-N 3.48Å; G221-K232 WeakPolarHBondContact O-CE 3.36Å; G221-C233 WeakPolarHBondContact CA-O 3.34Å; G221-C233 PolarHBondContact N-O 3.48Å |
| 222 | R | 97.5 | Very high | 95.1 | Very high | 170 Ų | 170 | 72.9 Ų | 72.9 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | trans | -83.6 | 153.2 | 177.8 | -59.3 | -63.6 | -175.2 | 172.2 | -0.6 | 111.8 | V218 D219 V220 C233 | V218-R222 HydrophobicContact CG1-CB 3.74Å; D219-R222 HydrophobicContact CB-CG 4.05Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.35Å; D219-R222 VanDerWaalsContact O-N 3.12Å; V220-R222 PolarHBondContact O-N 2.88Å; R222-C233 PolarHBondContact O-N 2.72Å | ||
| 223 | T | 96.7 | Very high | 95.3 | Very high | 70 Ų | 70 | 72.6 Ų | 72.6 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 160.4 | 174.2 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | V230 Y231 K232 A245 | T223-V230 HydrophobicContact CG2-CG1 4.09Å; T223-Y231 CarbonylContact C-O 3.57Å; T223-Y231 WeakPolarHBondContact CA-O 3.45Å; T223-Y231 VanDerWaalsContact CB-O 3.27Å; T223-Y231 WeakPolarHBondContact CB-O 2.97Å; T223-K232 HydrophobicContact CG2-CB 4.04Å; T223-K232 HydrophobicContact CG2-CD 4.45Å; T223-K232 HydrophobicContact CG2-CG 4.16Å; T223-A245 HydrophobicContact CG2-CB 4.48Å |
| 224 | F | 96.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 157.6 | 174.9 | 60.5 | -75.9 | 0 | 0 | 0 | 110 | A212 V218 M226 Y231 I242 | A212-F224 HydrophobicContact CB-CD2 3.48Å; A212-F224 VanDerWaalsContact CB-CD2 3.48Å; A212-F224 HydrophobicContact CB-CE2 3.69Å; A212-F224 HydrophobicContact CB-CG 4.28Å; V218-F224 HydrophobicContact CB-CD1 4.25Å; V218-F224 HydrophobicContact CG1-CD1 3.8Å; V218-F224 HydrophobicContact CG1-CE1 4.37Å; V218-F224 HydrophobicContact CG2-CB 4.08Å; V218-F224 HydrophobicContact CG2-CD1 3.92Å; V218-F224 HydrophobicContact CG2-CE1 4.47Å; V218-F224 HydrophobicContact CG2-CG 3.97Å; F224-M226 HydrophobicContact CD2-CG 3.99Å; F224-M226 HydrophobicContact CD2-SD 4.27Å; F224-M226 HydrophobicContact CE2-CG 3.86Å; F224-M226 HydrophobicContact CE2-SD 3.52Å; F224-M226 VanDerWaalsContact CE2-SD 3.52Å; F224-M226 HydrophobicContact CZ-SD 4.39Å; F224-Y231 PolarHBondContact N-O 2.85Å; F224-Y231 PolarHBondContact O-N 3.32Å; F224-I242 HydrophobicContact CE1-CG2 4.23Å; F224-I242 HydrophobicContact CZ-CB 4.47Å; F224-I242 HydrophobicContact CZ-CD1 4.02Å; F224-I242 HydrophobicContact CZ-CG1 4.04Å; F224-I242 HydrophobicContact CZ-CG2 3.62Å |
| 225 | R | 95 | Very high | 95.8 | Very high | 109 Ų | 109 | 64.8 Ų | 64.8 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.6 | -179.9 | -62.5 | 179.8 | 179.5 | -177.4 | -5.1 | 110.7 | F229 V248 S255 D257 | R225-F229 WeakPolarHBondContact CA-O 3.42Å; R225-V248 HydrophobicContact CB-CG2 4.37Å; R225-V248 HydrophobicContact CG-CG2 3.81Å; R225-S255 PolarHBondContact NH1-OG 3.07Å; R225-S255 PolarHBondContact NH2-O 2.86Å; R225-D257 IonicContact CZ-OD1 2.69Å; R225-D257 IonicContact NE-OD1 2.7Å; R225-D257 PolarHBondContact NE-OD1 2.82Å; R225-D257 IonicContact NE-OD2 3.08Å; R225-D257 IonicContact NH2-OD1 2.77Å; R225-D257 PolarHBondContact NH2-OD1 2.94Å |
| 226 | M | 92.7 | Very high | 95.7 | Very high | 54 Ų | 54 | 68 Ų | 68 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 109.2 | 162.8 | -62.5 | 172.5 | 51.9 | 0 | 0 | 107.8 | Q213 F224 D228 F229 Y231 | Q213-M226 HydrophobicContact CB-CE 3.93Å; F224-M226 HydrophobicContact CD2-CG 3.99Å; F224-M226 HydrophobicContact CD2-SD 4.27Å; F224-M226 HydrophobicContact CE2-CG 3.86Å; F224-M226 HydrophobicContact CE2-SD 3.52Å; F224-M226 VanDerWaalsContact CE2-SD 3.52Å; F224-M226 HydrophobicContact CZ-SD 4.39Å; M226-D228 PolarHBondContact O-N 3.1Å; M226-F229 PolarHBondContact N-O 3.1Å; M226-F229 PolarHBondContact O-N 2.71Å; M226-Y231 HydrophobicContact CB-CD2 3.84Å; M226-Y231 HydrophobicContact CB-CE2 3.62Å; M226-Y231 HydrophobicContact CG-CD2 4.06Å; M226-Y231 HydrophobicContact CG-CE2 4.26Å; M226-Y231 HydrophobicContact SD-CD2 4.14Å; M226-Y231 HydrophobicContact SD-CE2 4.29Å; M226-Y231 HydrophobicContact SD-CG 4.46Å |
| 227 | G | 91.6 | Very high | 95.2 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -131.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F229 | G227-F229 PolarHBondContact O-N 2.92Š|
| 228 | D | 94.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 65 Ų | 65 | 57% | 0.572 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 12.6 | -175.1 | -58.9 | -39.9 | 0 | 0 | 0 | 114.1 | M226 V248 Q287 | M226-D228 PolarHBondContact O-N 3.1Å; D228-V248 PolarHBondContact O-N 3.47Å; D228-Q287 PolarHBondContact O-NE2 3.27Å; D228-Q287 VanDerWaalsContact O-NE2 3.09Å |
| 229 | F | 97.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 24% | 0.237 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.6 | -174.5 | -58.4 | -72.8 | 0 | 0 | 0 | 113 | R225 M226 G227 Y231 L244 A285 | R225-F229 WeakPolarHBondContact CA-O 3.42Å; M226-F229 PolarHBondContact N-O 3.1Å; M226-F229 PolarHBondContact O-N 2.71Å; G227-F229 PolarHBondContact O-N 2.92Å; F229-Y231 HydrophobicContact CB-CD2 4.39Å; F229-Y231 HydrophobicContact CB-CE2 3.71Å; F229-L244 HydrophobicContact CB-CD2 3.68Å; F229-L244 HydrophobicContact CD1-CD2 4.26Å; F229-L244 HydrophobicContact CG-CD2 3.99Å; F229-A285 HydrophobicContact CD1-CB 3.61Å; F229-A285 HydrophobicContact CE1-CB 3.6Å; F229-A285 VanDerWaalsContact CE1-O 3.29Å; F229-A285 WeakPolarHBondContact CE1-O 3.46Å; F229-A285 WeakPolarHBondContact CZ-O 3.04Å |
| 230 | V | 97.7 | Very high | 94 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.4 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | T223 A245 G246 V248 D257 | T223-V230 HydrophobicContact CG2-CG1 4.09Å; V230-A245 HydrophobicContact CG1-CB 4.39Å; V230-A245 WeakPolarHBondContact O-CA 3.44Å; V230-A245 PolarHBondContact O-N 2.89Å; V230-G246 PolarHBondContact N-O 2.84Å; V230-G246 PolarHBondContact O-N 3.45Å; V230-G246 VanDerWaalsContact O-N 3.11Å; V230-V248 HydrophobicContact CG2-CG2 3.71Å; V230-D257 HydrophobicContact CG2-CB 3.8Å |
| 231 | Y | 97.6 | Very high | 93.9 | Very high | 51 Ų | 51 | 64 Ų | 64 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 156.5 | 175.1 | -67.6 | -96.2 | 0 | 0 | 0 | 110 | T223 F224 M226 F229 I242 V243 L244 | T223-Y231 CarbonylContact C-O 3.57Å; T223-Y231 WeakPolarHBondContact CA-O 3.45Å; T223-Y231 VanDerWaalsContact CB-O 3.27Å; T223-Y231 WeakPolarHBondContact CB-O 2.97Å; F224-Y231 PolarHBondContact N-O 2.85Å; F224-Y231 PolarHBondContact O-N 3.32Å; M226-Y231 HydrophobicContact CB-CD2 3.84Å; M226-Y231 HydrophobicContact CB-CE2 3.62Å; M226-Y231 HydrophobicContact CG-CD2 4.06Å; M226-Y231 HydrophobicContact CG-CE2 4.26Å; M226-Y231 HydrophobicContact SD-CD2 4.14Å; M226-Y231 HydrophobicContact SD-CE2 4.29Å; M226-Y231 HydrophobicContact SD-CG 4.46Å; F229-Y231 HydrophobicContact CB-CD2 4.39Å; F229-Y231 HydrophobicContact CB-CE2 3.71Å; Y231-I242 HydrophobicContact CD1-CG2 3.66Å; Y231-I242 HydrophobicContact CG-CG2 4.11Å; Y231-V243 CarbonylContact C-O 3.48Å; Y231-V243 WeakPolarHBondContact CA-O 3.14Å; Y231-L244 HydrophobicContact CD1-CD2 4.06Å; Y231-L244 HydrophobicContact CD1-CG 4.21Å; Y231-L244 HydrophobicContact CE1-CD2 3.52Å; Y231-L244 HydrophobicContact CE1-CG 3.72Å; Y231-L244 HydrophobicContact CE2-CD2 4.02Å; Y231-L244 VanDerWaalsContact CZ-CD2 3.5Å |
| 232 | K | 97.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.2 | 175.5 | -173.5 | 171.8 | -175.4 | 173.3 | 0 | 110 | G221 T223 K234 V243 A245 | G221-K232 WeakPolarHBondContact O-CE 3.36Å; T223-K232 HydrophobicContact CG2-CB 4.04Å; T223-K232 HydrophobicContact CG2-CD 4.45Å; T223-K232 HydrophobicContact CG2-CG 4.16Å; K232-K234 PolarHBondContact O-N 2.78Å; K232-V243 HydrophobicContact CB-CG2 4.17Å; K232-V243 PolarHBondContact N-O 3.27Å; K232-V243 PolarHBondContact O-N 2.9Å; K232-A245 HydrophobicContact CB-CB 3.75Å |
| 233 | C | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 102.6 | 167.2 | -168.3 | 0 | 0 | 0 | 0 | 108.8 | C210 V218 G221 R222 I240 | C210-C233 HydrophobicContact CB-CB 3.69Å; C210-C233 WeakPolarHBondContact CB-SG 3.48Å; C210-C233 PolarHBondContact N-SG 2.8Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.3Å; C210-C233 CovalentContact SG-SG 2.05Å; C210-C233 PolarHBondContact SG-SG 3.17Å; V218-C233 HydrophobicContact CG1-CB 4.13Å; G221-C233 WeakPolarHBondContact CA-O 3.34Å; G221-C233 PolarHBondContact N-O 3.48Å; R222-C233 PolarHBondContact O-N 2.72Å; C233-I240 WeakPolarHBondContact SG-CG2 3.38Å |
| 234 | K | 96.4 | Very high | 93.9 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132 | -170.3 | -172 | 176.7 | 178.4 | -177.7 | 0 | 110.7 | K232 I240 E241 V243 E282 | K232-K234 PolarHBondContact O-N 2.78Å; K234-I240 WeakPolarHBondContact O-CA 2.96Å; K234-E241 PolarHBondContact N-O 2.88Å; K234-E241 PolarHBondContact O-N 2.93Å; K234-V243 HydrophobicContact CB-CG2 3.82Å; K234-V243 HydrophobicContact CD-CG2 4Å; K234-E282 WeakPolarHBondContact CD-OE1 3.5Å; K234-E282 IonicContact NZ-OE1 3.82Å; K234-E282 PolarHBondContact NZ-OE1 2.76Å; K234-E282 IonicContact NZ-OE2 2.77Å; K234-E282 PolarHBondContact NZ-OE2 2.89Å |
| 235 | A | 94.2 | Very high | 94 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V220 S239 I240 | V220-A235 HydrophobicContact CG1-CB 3.82Å; A235-S239 CarbonylContact C-O 3.57Å; A235-S239 WeakPolarHBondContact CA-O 3.32Å; A235-I240 HydrophobicContact CB-CG1 4.29Å |
| 236 | R | 90.5 | Very high | 94.1 | Very high | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 98.8 | 169.2 | -80 | -160.6 | 176.2 | 149 | 3.9 | 108.9 | S238 S239 E241 E282 | R236-S238 PolarHBondContact O-N 3Å; R236-S239 PolarHBondContact N-O 3.26Å; R236-S239 PolarHBondContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.84Å; R236-E241 WeakPolarHBondContact CD-OE1 3.43Å; R236-E241 HydrophobicContact CG-CG 4.37Å; R236-E241 IonicContact CZ-OE1 3.99Å; R236-E241 IonicContact CZ-OE2 2.84Å; R236-E241 IonicContact NE-OE1 3.26Å; R236-E241 PolarHBondContact NE-OE1 3.35Å; R236-E241 IonicContact NE-OE2 2.98Å; R236-E241 VanDerWaalsContact NH1-CD 3.32Å; R236-E241 IonicContact NH1-OE1 2.75Å; R236-E241 PolarHBondContact NH1-OE1 2.03Å; R236-E241 IonicContact NH1-OE2 3.52Å; R236-E241 PolarHBondContact NH1-OE2 3.23Å; R236-E241 IonicContact NH2-OE1 2.93Å; R236-E241 PolarHBondContact NH2-OE1 3.29Å; R236-E282 IonicContact CZ-OE2 3.01Å; R236-E282 IonicContact NH2-OE2 2.56Å; R236-E282 PolarHBondContact NH2-OE2 3.17Å |
| 237 | G | 86.1 | Confident | 94.4 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 86% | 0.856 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -117.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 238 | S | 81.6 | Confident | 94.6 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 63% | 0.629 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | Y21 R236 | Y21-S238 WeakPolarHBondContact CE1-O 3.38Å; R236-S238 PolarHBondContact O-N 3Å |
| 239 | S | 88.4 | Confident | 94.6 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 159.1 | -177.9 | 70.6 | 0 | 0 | 0 | 0 | 112 | A235 R236 | A235-S239 CarbonylContact C-O 3.57Å; A235-S239 WeakPolarHBondContact CA-O 3.32Å; R236-S239 PolarHBondContact N-O 3.26Å; R236-S239 PolarHBondContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.84Å |
| 240 | I | 94.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.6 | 172.6 | -74.3 | 151.5 | 0 | 0 | 0 | 108.5 | L191 L207 C210 V220 C233 K234 A235 | L191-I240 HydrophobicContact CD2-CB 4.32Å; L191-I240 HydrophobicContact CD2-CG2 3.92Å; L207-I240 HydrophobicContact CB-CD1 4.42Å; L207-I240 HydrophobicContact CD2-CB 3.93Å; L207-I240 HydrophobicContact CD2-CD1 3.65Å; L207-I240 HydrophobicContact CD2-CG1 4.12Å; L207-I240 HydrophobicContact CG-CB 4.43Å; L207-I240 HydrophobicContact CG-CD1 3.54Å; L207-I240 HydrophobicContact CG-CG1 4.48Å; C210-I240 WeakPolarHBondContact SG-CG2 3.24Å; V220-I240 HydrophobicContact CG2-CD1 3.29Å; V220-I240 HydrophobicContact CG2-CG1 3.81Å; V220-I240 HydrophobicContact CG2-CG2 4.47Å; C233-I240 WeakPolarHBondContact SG-CG2 3.38Å; K234-I240 WeakPolarHBondContact O-CA 2.96Å; A235-I240 HydrophobicContact CB-CG1 4.29Å |
| 241 | E | 93.6 | Very high | 94 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.6 | -178.5 | 51.9 | 170.8 | -149.5 | 0 | 0 | 110.7 | K234 R236 V243 | K234-E241 PolarHBondContact N-O 2.88Å; K234-E241 PolarHBondContact O-N 2.93Å; R236-E241 WeakPolarHBondContact CD-OE1 3.43Å; R236-E241 HydrophobicContact CG-CG 4.37Å; R236-E241 IonicContact CZ-OE1 3.99Å; R236-E241 IonicContact CZ-OE2 2.84Å; R236-E241 IonicContact NE-OE1 3.26Å; R236-E241 PolarHBondContact NE-OE1 3.35Å; R236-E241 IonicContact NE-OE2 2.98Å; R236-E241 VanDerWaalsContact NH1-CD 3.32Å; R236-E241 IonicContact NH1-OE1 2.75Å; R236-E241 PolarHBondContact NH1-OE1 2.03Å; R236-E241 IonicContact NH1-OE2 3.52Å; R236-E241 PolarHBondContact NH1-OE2 3.23Å; R236-E241 IonicContact NH2-OE1 2.93Å; R236-E241 PolarHBondContact NH2-OE1 3.29Å; E241-V243 HydrophobicContact CG-CG1 3.95Å; E241-V243 WeakPolarHBondContact OE1-CG1 3.44Å |
| 242 | I | 95.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.3 | 169.8 | -63.2 | 170.5 | 0 | 0 | 0 | 107 | N190 C210 F224 Y231 | N190-I242 HydrophobicContact CB-CD1 3.9Å; C210-I242 HydrophobicContact CB-CD1 4Å; C210-I242 HydrophobicContact CB-CG1 3.64Å; F224-I242 HydrophobicContact CE1-CG2 4.23Å; F224-I242 HydrophobicContact CZ-CB 4.47Å; F224-I242 HydrophobicContact CZ-CD1 4.02Å; F224-I242 HydrophobicContact CZ-CG1 4.04Å; F224-I242 HydrophobicContact CZ-CG2 3.62Å; Y231-I242 HydrophobicContact CD1-CG2 3.66Å; Y231-I242 HydrophobicContact CG-CG2 4.11Å |
| 243 | V | 96.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.1 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | Y231 K232 K234 E241 E282 | Y231-V243 CarbonylContact C-O 3.48Å; Y231-V243 WeakPolarHBondContact CA-O 3.14Å; K232-V243 HydrophobicContact CB-CG2 4.17Å; K232-V243 PolarHBondContact N-O 3.27Å; K232-V243 PolarHBondContact O-N 2.9Å; K234-V243 HydrophobicContact CB-CG2 3.82Å; K234-V243 HydrophobicContact CD-CG2 4Å; E241-V243 HydrophobicContact CG-CG1 3.95Å; E241-V243 WeakPolarHBondContact OE1-CG1 3.44Å; V243-E282 HydrophobicContact CB-CB 4Å; V243-E282 HydrophobicContact CB-CG 4.33Å; V243-E282 HydrophobicContact CG1-CB 4.29Å; V243-E282 HydrophobicContact CG2-CG 4.42Å |
| 244 | L | 97.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 138 | 167.6 | -78.1 | 161.9 | 0 | 0 | 0 | 109.6 | F229 Y231 F260 E282 A285 | F229-L244 HydrophobicContact CB-CD2 3.68Å; F229-L244 HydrophobicContact CD1-CD2 4.26Å; F229-L244 HydrophobicContact CG-CD2 3.99Å; Y231-L244 HydrophobicContact CD1-CD2 4.06Å; Y231-L244 HydrophobicContact CD1-CG 4.21Å; Y231-L244 HydrophobicContact CE1-CD2 3.52Å; Y231-L244 HydrophobicContact CE1-CG 3.72Å; Y231-L244 HydrophobicContact CE2-CD2 4.02Å; Y231-L244 VanDerWaalsContact CZ-CD2 3.5Å; L244-F260 HydrophobicContact CB-CZ 3.96Å; L244-F260 WeakPolarHBondContact O-CE2 3.44Å; L244-E282 PolarHBondContact N-O 3.48Å; L244-E282 WeakPolarHBondContact O-CA 3.17Å; L244-A285 HydrophobicContact CD1-CB 3.97Å; L244-A285 HydrophobicContact CD2-CB 4.09Å; L244-A285 HydrophobicContact CG-CB 4.46Å |
| 245 | A | 97.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | -14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T223 V230 K232 | T223-A245 HydrophobicContact CG2-CB 4.48Å; V230-A245 HydrophobicContact CG1-CB 4.39Å; V230-A245 WeakPolarHBondContact O-CA 3.44Å; V230-A245 PolarHBondContact O-N 2.89Å; K232-A245 HydrophobicContact CB-CB 3.75Å |
| 246 | G | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.2 | -162.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V230 F258 | V230-G246 PolarHBondContact N-O 2.84Å; V230-G246 PolarHBondContact O-N 3.45Å; V230-G246 VanDerWaalsContact O-N 3.11Å; G246-F258 CarbonylContact C-O 3.57Å; G246-F258 WeakPolarHBondContact CA-O 3.33Å |
| 247 | C | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.4 | -176.2 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | F258 W264 C278 Q287 | C247-F258 PolarHBondContact N-O 3.41Å; C247-F258 PolarHBondContact O-N 2.85Å; C247-W264 HydrophobicContact CB-CH2 4.17Å; C247-C278 HydrophobicContact CB-CB 3.62Å; C247-C278 WeakPolarHBondContact CB-SG 3.3Å; C247-C278 PolarHBondContact N-SG 3Å; C247-C278 VanDerWaalsContact SG-CA 3.52Å; C247-C278 WeakPolarHBondContact SG-CB 3.39Å; C247-C278 CovalentContact SG-SG 2.05Å; C247-C278 PolarHBondContact SG-SG 2.81Å; C247-Q287 HydrophobicContact CB-CG 3.75Å |
| 248 | V | 96.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | R225 D228 V230 S255 K256 Q287 | R225-V248 HydrophobicContact CB-CG2 4.37Å; R225-V248 HydrophobicContact CG-CG2 3.81Å; D228-V248 PolarHBondContact O-N 3.47Å; V230-V248 HydrophobicContact CG2-CG2 3.71Å; V248-S255 WeakPolarHBondContact CG1-OG 3.4Å; V248-K256 WeakPolarHBondContact CA-O 3.44Å; V248-Q287 PolarHBondContact O-NE2 2.93Å |
| 249 | G | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 152.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S255 K256 | G249-S255 CarbonylContact O-C 3.49Å; G249-S255 WeakPolarHBondContact O-CA 3.39Å; G249-K256 PolarHBondContact N-O 3.02Å; G249-K256 PolarHBondContact O-N 3.31Å |
| 250 | L | 92.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.6 | 171.1 | -165.9 | 78.2 | 0 | 0 | 0 | 109.6 | ||
| 251 | E | 90 | Very high | 94.6 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.4 | 175 | -175.5 | -178 | -118.8 | 0 | 0 | 109.2 | G253 Q254 K256 F258 W264 | E251-G253 PolarHBondContact O-N 3.1Å; E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 PolarHBondContact O-N 2.67Å; E251-K256 HydrophobicContact CB-CD 4.35Å; E251-K256 IonicContact OE2-NZ 2.86Å; E251-K256 PolarHBondContact OE2-NZ 3.4Å; E251-F258 HydrophobicContact CB-CZ 4.02Å; E251-W264 HydrophobicContact CB-CB 4.36Å; E251-W264 HydrophobicContact CG-CB 4.44Å |
| 252 | M | 85.3 | Confident | 94.8 | Very high | 159 Ų | 159 | 51.7 Ų | 51.7 | 78% | 0.783 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.7 | -178.1 | -57.4 | -179.7 | -70.2 | 0 | 0 | 113.3 | Q254 | M252-Q254 PolarHBondContact O-N 2.84Š|
| 253 | G | 86.4 | Confident | 94.7 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 0.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E251 | E251-G253 PolarHBondContact O-N 3.1Š|
| 254 | Q | 91.2 | Very high | 94.7 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.9 | 175.4 | -64.3 | -174.6 | -2.5 | 0 | 0 | 111 | E251 M252 K256 | E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 PolarHBondContact O-N 2.67Å; M252-Q254 PolarHBondContact O-N 2.84Å; Q254-K256 PolarHBondContact O-N 3.01Å |
| 255 | S | 94 | Very high | 94.4 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 112.3 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | R225 V248 G249 | R225-S255 PolarHBondContact NH1-OG 3.07Å; R225-S255 PolarHBondContact NH2-O 2.86Å; V248-S255 WeakPolarHBondContact CG1-OG 3.4Å; G249-S255 CarbonylContact O-C 3.49Å; G249-S255 WeakPolarHBondContact O-CA 3.39Å |
| 256 | K | 96.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 30% | 0.296 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 158 | -177.3 | -65.4 | -174.9 | -174.3 | 175.6 | 0 | 111.6 | V248 G249 E251 Q254 F258 | V248-K256 WeakPolarHBondContact CA-O 3.44Å; G249-K256 PolarHBondContact N-O 3.02Å; G249-K256 PolarHBondContact O-N 3.31Å; E251-K256 HydrophobicContact CB-CD 4.35Å; E251-K256 IonicContact OE2-NZ 2.86Å; E251-K256 PolarHBondContact OE2-NZ 3.4Å; Q254-K256 PolarHBondContact O-N 3.01Å; K256-F258 HydrophobicContact CB-CD2 4.44Å; K256-F258 HydrophobicContact CB-CE2 3.64Å; K256-F258 HydrophobicContact CB-CZ 3.7Å; K256-F258 HydrophobicContact CD-CZ 4.3Å; K256-F258 WeakPolarHBondContact O-CD2 3.38Å |
| 257 | D | 97.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128 | 177.5 | -69.4 | 6.2 | 0 | 0 | 0 | 109.5 | R225 V230 | R225-D257 IonicContact CZ-OD1 2.69Å; R225-D257 IonicContact NE-OD1 2.7Å; R225-D257 PolarHBondContact NE-OD1 2.82Å; R225-D257 IonicContact NE-OD2 3.08Å; R225-D257 IonicContact NH2-OD1 2.77Å; R225-D257 PolarHBondContact NH2-OD1 2.94Å; V230-D257 HydrophobicContact CG2-CB 3.8Å |
| 258 | F | 97.4 | Very high | 91.7 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.096 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.3 | -177.3 | -68.4 | -73.6 | 0 | 0 | 0 | 109.7 | G246 C247 E251 K256 T262 W264 | G246-F258 CarbonylContact C-O 3.57Å; G246-F258 WeakPolarHBondContact CA-O 3.33Å; C247-F258 PolarHBondContact N-O 3.41Å; C247-F258 PolarHBondContact O-N 2.85Å; E251-F258 HydrophobicContact CB-CZ 4.02Å; K256-F258 HydrophobicContact CB-CD2 4.44Å; K256-F258 HydrophobicContact CB-CE2 3.64Å; K256-F258 HydrophobicContact CB-CZ 3.7Å; K256-F258 HydrophobicContact CD-CZ 4.3Å; K256-F258 WeakPolarHBondContact O-CD2 3.38Å; F258-T262 WeakPolarHBondContact CA-OG1 3.43Å; F258-T262 VanDerWaalsContact CB-OG1 3.3Å; F258-T262 WeakPolarHBondContact CB-OG1 3.15Å; F258-W264 HydrophobicContact CB-CE3 3.76Å; F258-W264 HydrophobicContact CB-CZ3 3.69Å; F258-W264 HydrophobicContact CD1-CB 4.13Å; F258-W264 HydrophobicContact CD1-CD2 4.23Å; F258-W264 AromaticContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CG 4.43Å; F258-W264 AromaticContact CD2-CD2 3.63Å; F258-W264 HydrophobicContact CD2-CD2 3.63Å; F258-W264 AromaticContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CG 4.1Å; F258-W264 HydrophobicContact CD2-CH2 4.45Å; F258-W264 AromaticContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CE1-CB 3.46Å; F258-W264 VanDerWaalsContact CE1-CB 3.46Å; F258-W264 HydrophobicContact CE1-CD2 4.29Å; F258-W264 HydrophobicContact CE1-CE3 4.23Å; F258-W264 HydrophobicContact CE1-CG 4.02Å; F258-W264 HydrophobicContact CE2-CB 3.94Å; F258-W264 AromaticContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CE3 4.02Å; F258-W264 AromaticContact CE2-CG 3.63Å; F258-W264 HydrophobicContact CE2-CG 3.63Å; F258-W264 AromaticContact CG-CD2 3.92Å; F258-W264 HydrophobicContact CG-CD2 3.92Å; F258-W264 AromaticContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CG 4.48Å; F258-W264 AromaticContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CZ-CB 3.34Å; F258-W264 HydrophobicContact CZ-CD2 4.01Å; F258-W264 HydrophobicContact CZ-CE3 4.35Å; F258-W264 AromaticContact CZ-CG 3.59Å; F258-W264 HydrophobicContact CZ-CG 3.59Å |
| 259 | G | 97.2 | Very high | 90.4 | Very high | 31 Ų | 31 | 75.3 Ų | 75.3 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 168.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | N261 T262 | G259-N261 PolarHBondContact O-N 2.83Å; G259-T262 PolarHBondContact N-OG1 2.81Å; G259-T262 WeakPolarHBondContact O-CB 3.38Å; G259-T262 WeakPolarHBondContact O-CG2 3.38Å; G259-T262 PolarHBondContact O-N 2.86Å; G259-T262 VanDerWaalsContact O-N 3.14Å; G259-T262 PolarHBondContact O-OG1 3.31Å |
| 260 | F | 97 | Very high | 89.8 | Confident | 48 Ų | 48 | 78 Ų | 78 | 21% | 0.211 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 142.1 | 174.8 | -59.3 | -55.5 | 0 | 0 | 0 | 112.1 | L244 T262 N281 A285 | L244-F260 HydrophobicContact CB-CZ 3.96Å; L244-F260 WeakPolarHBondContact O-CE2 3.44Å; F260-T262 PolarHBondContact O-N 3.33Å; F260-N281 VanDerWaalsContact CE2-C 3.44Å; F260-N281 WeakPolarHBondContact CZ-O 3.3Å; F260-A285 HydrophobicContact CE1-CB 3.81Å; F260-A285 HydrophobicContact CZ-CB 4.46Å |
| 261 | N | 94.5 | Very high | 89.4 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 73% | 0.727 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 10.1 | -176.5 | -48.7 | -50.4 | 0 | 0 | 0 | 114.7 | G259 C278 | G259-N261 PolarHBondContact O-N 2.83Å; N261-C278 PolarHBondContact N-O 3.16Å |
| 262 | T | 96.8 | Very high | 89.3 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 32% | 0.319 | 42% | 0.424 | S | S | . | . | trans | -89.6 | 157 | 167.9 | 69.7 | 0 | 0 | 0 | 0 | 110.4 | F258 G259 F260 G277 C278 | F258-T262 WeakPolarHBondContact CA-OG1 3.43Å; F258-T262 VanDerWaalsContact CB-OG1 3.3Å; F258-T262 WeakPolarHBondContact CB-OG1 3.15Å; G259-T262 PolarHBondContact N-OG1 2.81Å; G259-T262 WeakPolarHBondContact O-CB 3.38Å; G259-T262 WeakPolarHBondContact O-CG2 3.38Å; G259-T262 PolarHBondContact O-N 2.86Å; G259-T262 VanDerWaalsContact O-N 3.14Å; G259-T262 PolarHBondContact O-OG1 3.31Å; F260-T262 PolarHBondContact O-N 3.33Å; T262-G277 WeakPolarHBondContact O-CA 3.44Å; T262-C278 PolarHBondContact O-N 2.79Å | ||
| 263 | H | 94.9 | Very high | 89.6 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150 | -174.1 | 46.9 | -99.1 | 0 | 0 | 0 | 110.8 | M275 M276 | H263-M275 HydrophobicContact CB-CG 3.88Å; H263-M275 HydrophobicContact CB-SD 3.61Å; H263-M275 PolarHBondContact CD2-SD 2.92Å; H263-M276 CarbonylContact C-O 3.47Å; H263-M276 WeakPolarHBondContact CA-O 3.29Å; H263-M276 WeakPolarHBondContact CB-O 3.32Å |
| 264 | W | 94.9 | Very high | 90 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 2% | 0.023 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.2 | -179.4 | 66.8 | 97 | 0 | 0 | 0 | 111.3 | C247 E251 F258 A266 M275 M276 C278 Q287 | C247-W264 HydrophobicContact CB-CH2 4.17Å; E251-W264 HydrophobicContact CB-CB 4.36Å; E251-W264 HydrophobicContact CG-CB 4.44Å; F258-W264 HydrophobicContact CB-CE3 3.76Å; F258-W264 HydrophobicContact CB-CZ3 3.69Å; F258-W264 HydrophobicContact CD1-CB 4.13Å; F258-W264 HydrophobicContact CD1-CD2 4.23Å; F258-W264 AromaticContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CG 4.43Å; F258-W264 AromaticContact CD2-CD2 3.63Å; F258-W264 HydrophobicContact CD2-CD2 3.63Å; F258-W264 AromaticContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CG 4.1Å; F258-W264 HydrophobicContact CD2-CH2 4.45Å; F258-W264 AromaticContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CE1-CB 3.46Å; F258-W264 VanDerWaalsContact CE1-CB 3.46Å; F258-W264 HydrophobicContact CE1-CD2 4.29Å; F258-W264 HydrophobicContact CE1-CE3 4.23Å; F258-W264 HydrophobicContact CE1-CG 4.02Å; F258-W264 HydrophobicContact CE2-CB 3.94Å; F258-W264 AromaticContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CE3 4.02Å; F258-W264 AromaticContact CE2-CG 3.63Å; F258-W264 HydrophobicContact CE2-CG 3.63Å; F258-W264 AromaticContact CG-CD2 3.92Å; F258-W264 HydrophobicContact CG-CD2 3.92Å; F258-W264 AromaticContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CG 4.48Å; F258-W264 AromaticContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CZ-CB 3.34Å; F258-W264 HydrophobicContact CZ-CD2 4.01Å; F258-W264 HydrophobicContact CZ-CE3 4.35Å; F258-W264 AromaticContact CZ-CG 3.59Å; F258-W264 HydrophobicContact CZ-CG 3.59Å; W264-A266 PolarHBondContact O-N 3.02Å; W264-M275 CarbonylContact O-C 3.5Å; W264-M275 VanDerWaalsContact O-CA 3.31Å; W264-M275 WeakPolarHBondContact O-CA 3.35Å; W264-M275 WeakPolarHBondContact O-CG 3.3Å; W264-M276 HydrophobicContact CD2-CB 3.87Å; W264-M276 HydrophobicContact CE3-CB 4.35Å; W264-M276 HydrophobicContact CG-CB 4.43Å; W264-M276 HydrophobicContact CH2-CB 3.94Å; W264-M276 HydrophobicContact CZ2-CB 3.41Å; W264-M276 VanDerWaalsContact CZ2-CB 3.41Å; W264-M276 HydrophobicContact CZ2-CG 4.2Å; W264-M276 HydrophobicContact CZ3-CB 4.39Å; W264-M276 PolarHBondContact N-O 3.13Å; W264-M276 PolarHBondContact O-N 3.27Å; W264-C278 HydrophobicContact CH2-CB 4.41Å; W264-C278 HydrophobicContact CZ3-CB 3.99Å; W264-Q287 HydrophobicContact CH2-CB 4.43Å; W264-Q287 HydrophobicContact CH2-CG 4.14Å; W264-Q287 HydrophobicContact CZ2-CG 4.43Å |
| 265 | F | 92 | Very high | 90.1 | Very high | 57 Ų | 57 | 64.2 Ų | 64.2 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.5 | 176.3 | -66.5 | -67.5 | 0 | 0 | 0 | 110.4 | M275 V293 R300 | F265-M275 HydrophobicContact CD1-CB 4.39Å; F265-M275 HydrophobicContact CD1-CE 4.12Å; F265-M275 HydrophobicContact CD1-CG 4.41Å; F265-M275 HydrophobicContact CE1-CB 4.34Å; F265-M275 HydrophobicContact CE1-CE 3.21Å; F265-M275 HydrophobicContact CE1-CG 4.29Å; F265-M275 HydrophobicContact CE2-CE 3.92Å; F265-M275 HydrophobicContact CZ-CE 3.09Å; F265-V293 HydrophobicContact CD1-CG2 4.02Å; F265-V293 HydrophobicContact CE1-CG2 3.78Å; F265-R300 VanDerWaalsContact CE1-CZ 3.46Å; F265-R300 VanDerWaalsContact CZ-NH1 3.34Å |
| 266 | A | 87.5 | Confident | 90.1 | Very high | 24 Ų | 24 | 63 Ų | 63 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 160.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | W264 N268 Y274 M276 | W264-A266 PolarHBondContact O-N 3.02Å; A266-N268 PolarHBondContact O-N 2.92Å; A266-Y274 WeakPolarHBondContact CB-O 3.35Å; A266-Y274 PolarHBondContact N-O 3.42Å; A266-M276 HydrophobicContact CB-CG 3.9Å |
| 267 | R | 77.7 | Confident | 90.1 | Very high | 221 Ų | 221 | 59.9 Ų | 59.9 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 129 | 175.9 | -163.8 | 180 | -162 | -162.2 | 3.8 | 109.9 | ||
| 268 | N | 72.8 | Confident | 90.1 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -66 | 146.3 | 176.9 | -66.8 | -19.3 | 0 | 0 | 0 | 111.1 | A266 G273 | A266-N268 PolarHBondContact O-N 2.92Å; N268-G273 WeakPolarHBondContact OD1-CA 2.96Å |
| 269 | V | 68.2 | Low | 90 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | B | Isolated β-bridge | trans | -118.5 | 92.2 | 169 | -173.8 | 0 | 0 | 0 | 0 | 106.9 | M272 | V269-M272 CarbonylContact C-O 3.51Å; V269-M272 PolarHBondContact N-O 3.16Å; V269-M272 VanDerWaalsContact O-O 3.13Å |
| 270 | G | 81.9 | Confident | 90 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -140.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M272 | G270-M272 PolarHBondContact O-N 3.47Š|
| 271 | P | 84.8 | Confident | 90 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.8 | -179.5 | 30.5 | -34.6 | 0 | 0 | 0 | 112.9 | N295 E296 | P271-N295 PolarHBondContact O-N 3.23Å; P271-E296 HydrophobicContact CB-CB 4.14Å |
| 272 | M | 88.6 | Confident | 90.1 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.8 | 178.4 | -63.9 | -64.2 | 99.3 | 0 | 0 | 111.2 | V269 G270 V293 V294 F317 L331 | V269-M272 CarbonylContact C-O 3.51Å; V269-M272 PolarHBondContact N-O 3.16Å; V269-M272 VanDerWaalsContact O-O 3.13Å; G270-M272 PolarHBondContact O-N 3.47Å; M272-V293 CarbonylContact C-O 3.49Å; M272-V293 WeakPolarHBondContact CA-O 3.47Å; M272-V294 HydrophobicContact CE-CB 3.37Å; M272-V294 HydrophobicContact CE-CG2 3.21Å; M272-V294 HydrophobicContact SD-CB 4.34Å; M272-F317 HydrophobicContact SD-CD2 4.5Å; M272-F317 HydrophobicContact SD-CE2 3.83Å; M272-L331 HydrophobicContact CE-CB 4.12Å; M272-L331 HydrophobicContact CE-CD2 4.37Å |
| 273 | G | 91.7 | Very high | 90 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 174 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N268 V293 | N268-G273 WeakPolarHBondContact OD1-CA 2.96Å; G273-V293 PolarHBondContact N-O 2.79Å; G273-V293 PolarHBondContact O-N 3.25Å |
| 274 | Y | 93.2 | Very high | 90.1 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 29% | 0.286 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.5 | 179.6 | -60.6 | -78.2 | 0 | 0 | 0 | 109.8 | A266 V289 T327 | A266-Y274 WeakPolarHBondContact CB-O 3.35Å; A266-Y274 PolarHBondContact N-O 3.42Å; Y274-V289 HydrophobicContact CD1-CG1 3.62Å; Y274-V289 HydrophobicContact CD1-CG2 4.36Å; Y274-V289 HydrophobicContact CE1-CG1 4.45Å; Y274-V289 HydrophobicContact CG-CG1 4.25Å; Y274-V289 HydrophobicContact CG-CG2 4.48Å; Y274-T327 HydrophobicContact CE1-CG2 4.44Å; Y274-T327 PolarHBondContact OH-O 3Å |
| 275 | M | 94.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.1 | 164.3 | -165.5 | -174.6 | -92.8 | 0 | 0 | 107.9 | H263 W264 F265 T290 H291 V293 | H263-M275 HydrophobicContact CB-CG 3.88Å; H263-M275 HydrophobicContact CB-SD 3.61Å; H263-M275 PolarHBondContact CD2-SD 2.92Å; W264-M275 CarbonylContact O-C 3.5Å; W264-M275 VanDerWaalsContact O-CA 3.31Å; W264-M275 WeakPolarHBondContact O-CA 3.35Å; W264-M275 WeakPolarHBondContact O-CG 3.3Å; F265-M275 HydrophobicContact CD1-CB 4.39Å; F265-M275 HydrophobicContact CD1-CE 4.12Å; F265-M275 HydrophobicContact CD1-CG 4.41Å; F265-M275 HydrophobicContact CE1-CB 4.34Å; F265-M275 HydrophobicContact CE1-CE 3.21Å; F265-M275 HydrophobicContact CE1-CG 4.29Å; F265-M275 HydrophobicContact CE2-CE 3.92Å; F265-M275 HydrophobicContact CZ-CE 3.09Å; M275-T290 PolarHBondContact O-N 3.19Å; M275-T290 PolarHBondContact O-OG1 2.75Å; M275-H291 HydrophobicContact CB-CB 3.82Å; M275-H291 PolarHBondContact N-O 2.94Å; M275-H291 PolarHBondContact O-N 3.36Å; M275-H291 HydrophobicContact SD-CB 4.49Å; M275-V293 HydrophobicContact CB-CG2 4.5Å |
| 276 | M | 94.6 | Very high | 90.4 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 17% | 0.167 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 149.6 | 172.5 | -60.1 | -60.1 | -65.3 | 0 | 0 | 109 | H263 W264 A266 Q287 E288 V289 | H263-M276 CarbonylContact C-O 3.47Å; H263-M276 WeakPolarHBondContact CA-O 3.29Å; H263-M276 WeakPolarHBondContact CB-O 3.32Å; W264-M276 HydrophobicContact CD2-CB 3.87Å; W264-M276 HydrophobicContact CE3-CB 4.35Å; W264-M276 HydrophobicContact CG-CB 4.43Å; W264-M276 HydrophobicContact CH2-CB 3.94Å; W264-M276 HydrophobicContact CZ2-CB 3.41Å; W264-M276 VanDerWaalsContact CZ2-CB 3.41Å; W264-M276 HydrophobicContact CZ2-CG 4.2Å; W264-M276 HydrophobicContact CZ3-CB 4.39Å; W264-M276 PolarHBondContact N-O 3.13Å; W264-M276 PolarHBondContact O-N 3.27Å; A266-M276 HydrophobicContact CB-CG 3.9Å; M276-Q287 HydrophobicContact CE-CB 4.03Å; M276-E288 CarbonylContact C-O 3.56Å; M276-E288 WeakPolarHBondContact CA-O 3.3Å; M276-V289 HydrophobicContact CE-CG2 4.49Å; M276-V289 HydrophobicContact SD-CG2 3.71Å |
| 277 | G | 95.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | T262 E288 | T262-G277 WeakPolarHBondContact O-CA 3.44Å; G277-E288 PolarHBondContact N-O 2.91Å; G277-E288 PolarHBondContact O-N 2.77Å |
| 278 | C | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.3 | 171.4 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | C247 N261 T262 W264 | C247-C278 HydrophobicContact CB-CB 3.62Å; C247-C278 WeakPolarHBondContact CB-SG 3.3Å; C247-C278 PolarHBondContact N-SG 3Å; C247-C278 VanDerWaalsContact SG-CA 3.52Å; C247-C278 WeakPolarHBondContact SG-CB 3.39Å; C247-C278 CovalentContact SG-SG 2.05Å; C247-C278 PolarHBondContact SG-SG 2.81Å; N261-C278 PolarHBondContact N-O 3.16Å; T262-C278 PolarHBondContact O-N 2.79Å; W264-C278 HydrophobicContact CH2-CB 4.41Å; W264-C278 HydrophobicContact CZ3-CB 3.99Å |
| 279 | V | 95.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.2 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | A285 A286 E288 | V279-A285 CarbonylContact O-C 3.57Å; V279-A285 WeakPolarHBondContact O-CA 3.5Å; V279-A286 HydrophobicContact CG2-CB 3.94Å; V279-A286 WeakPolarHBondContact CG2-O 3.36Å; V279-A286 PolarHBondContact N-O 2.97Å; V279-A286 PolarHBondContact O-N 2.86Å; V279-E288 HydrophobicContact CG2-CB 4.35Å; V279-E288 VanDerWaalsContact CG2-CD 3.43Å; V279-E288 HydrophobicContact CG2-CG 3.81Å; V279-E288 WeakPolarHBondContact CG2-OE1 3.34Å |
| 280 | G | 96.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.6 | -157.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q284 | G280-Q284 CarbonylContact C-O 3.51Å; G280-Q284 WeakPolarHBondContact CA-O 3.34Å |
| 281 | N | 97.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | -157.6 | -169.3 | -177.1 | 61 | 47.5 | 0 | 0 | 0 | 110.1 | F260 R283 Q284 | F260-N281 VanDerWaalsContact CE2-C 3.44Å; F260-N281 WeakPolarHBondContact CZ-O 3.3Å; N281-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact OD1-CB 3.37Å; N281-R283 PolarHBondContact OD1-N 2.92Å; N281-Q284 PolarHBondContact N-O 3.17Å; N281-Q284 PolarHBondContact O-N 3.25Å; N281-Q284 PolarHBondContact OD1-N 2.77Å | ||
| 282 | E | 96.4 | Very high | 94.9 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -60.2 | -12 | -177 | -63 | -165.6 | 157 | 0 | 0 | 115.6 | K234 R236 V243 L244 | K234-E282 WeakPolarHBondContact CD-OE1 3.5Å; K234-E282 IonicContact NZ-OE1 3.82Å; K234-E282 PolarHBondContact NZ-OE1 2.76Å; K234-E282 IonicContact NZ-OE2 2.77Å; K234-E282 PolarHBondContact NZ-OE2 2.89Å; R236-E282 IonicContact CZ-OE2 3.01Å; R236-E282 IonicContact NH2-OE2 2.56Å; R236-E282 PolarHBondContact NH2-OE2 3.17Å; V243-E282 HydrophobicContact CB-CB 4Å; V243-E282 HydrophobicContact CB-CG 4.33Å; V243-E282 HydrophobicContact CG1-CB 4.29Å; V243-E282 HydrophobicContact CG2-CG 4.42Å; L244-E282 PolarHBondContact N-O 3.48Å; L244-E282 WeakPolarHBondContact O-CA 3.17Å |
| 283 | R | 95.4 | Very high | 95.1 | Very high | 221 Ų | 221 | 49 Ų | 49 | 83% | 0.834 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -109.3 | -31.9 | -177.5 | -59.7 | -177 | 178.6 | -175.8 | -0.6 | 114.1 | N281 | N281-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact OD1-CB 3.37Å; N281-R283 PolarHBondContact OD1-N 2.92Å |
| 284 | Q | 96.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 48.9 Ų | 48.9 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | trans | -145.7 | 142.3 | -177.6 | 66.3 | -175.2 | 8.4 | 0 | 0 | 110.1 | G280 N281 | G280-Q284 CarbonylContact C-O 3.51Å; G280-Q284 WeakPolarHBondContact CA-O 3.34Å; N281-Q284 PolarHBondContact N-O 3.17Å; N281-Q284 PolarHBondContact O-N 3.25Å; N281-Q284 PolarHBondContact OD1-N 2.77Å | ||
| 285 | A | 97.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F229 L244 F260 V279 | F229-A285 HydrophobicContact CD1-CB 3.61Å; F229-A285 HydrophobicContact CE1-CB 3.6Å; F229-A285 VanDerWaalsContact CE1-O 3.29Å; F229-A285 WeakPolarHBondContact CE1-O 3.46Å; F229-A285 WeakPolarHBondContact CZ-O 3.04Å; L244-A285 HydrophobicContact CD1-CB 3.97Å; L244-A285 HydrophobicContact CD2-CB 4.09Å; L244-A285 HydrophobicContact CG-CB 4.46Å; F260-A285 HydrophobicContact CE1-CB 3.81Å; F260-A285 HydrophobicContact CZ-CB 4.46Å; V279-A285 CarbonylContact O-C 3.57Å; V279-A285 WeakPolarHBondContact O-CA 3.5Å |
| 286 | A | 95.9 | Very high | 94.7 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 28% | 0.281 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V279 E288 | V279-A286 HydrophobicContact CG2-CB 3.94Å; V279-A286 WeakPolarHBondContact CG2-O 3.36Å; V279-A286 PolarHBondContact N-O 2.97Å; V279-A286 PolarHBondContact O-N 2.86Å; A286-E288 HydrophobicContact CB-CG 4.31Å |
| 287 | Q | 94.1 | Very high | 94.2 | Very high | 63 Ų | 63 | 55 Ų | 55 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.1 | 169.8 | -57.1 | -171.8 | 30 | 0 | 0 | 107.9 | D228 C247 V248 W264 M276 | D228-Q287 PolarHBondContact O-NE2 3.27Å; D228-Q287 VanDerWaalsContact O-NE2 3.09Å; C247-Q287 HydrophobicContact CB-CG 3.75Å; V248-Q287 PolarHBondContact O-NE2 2.93Å; W264-Q287 HydrophobicContact CH2-CB 4.43Å; W264-Q287 HydrophobicContact CH2-CG 4.14Å; W264-Q287 HydrophobicContact CZ2-CG 4.43Å; M276-Q287 HydrophobicContact CE-CB 4.03Å |
| 288 | E | 93.4 | Very high | 93.8 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.4 | -176 | -67.1 | -177.5 | -172.4 | 0 | 0 | 110.7 | M276 G277 V279 A286 T290 | M276-E288 CarbonylContact C-O 3.56Å; M276-E288 WeakPolarHBondContact CA-O 3.3Å; G277-E288 PolarHBondContact N-O 2.91Å; G277-E288 PolarHBondContact O-N 2.77Å; V279-E288 HydrophobicContact CG2-CB 4.35Å; V279-E288 VanDerWaalsContact CG2-CD 3.43Å; V279-E288 HydrophobicContact CG2-CG 3.81Å; V279-E288 WeakPolarHBondContact CG2-OE1 3.34Å; A286-E288 HydrophobicContact CB-CG 4.31Å; E288-T290 PolarHBondContact O-N 3.21Å |
| 289 | V | 93.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.218 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.2 | 169.6 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | Y274 M276 V305 T327 | Y274-V289 HydrophobicContact CD1-CG1 3.62Å; Y274-V289 HydrophobicContact CD1-CG2 4.36Å; Y274-V289 HydrophobicContact CE1-CG1 4.45Å; Y274-V289 HydrophobicContact CG-CG1 4.25Å; Y274-V289 HydrophobicContact CG-CG2 4.48Å; M276-V289 HydrophobicContact CE-CG2 4.49Å; M276-V289 HydrophobicContact SD-CG2 3.71Å; V289-V305 HydrophobicContact CG1-CG2 4.3Å; V289-V305 VanDerWaalsContact O-CG2 3.24Å; V289-V305 WeakPolarHBondContact O-CG2 3.39Å; V289-T327 HydrophobicContact CB-CG2 4.16Å; V289-T327 HydrophobicContact CG1-CG2 3.6Å |
| 290 | T | 94.7 | Very high | 93.2 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -29.3 | 179.4 | 57 | 0 | 0 | 0 | 0 | 112.4 | M275 E288 S304 V305 | M275-T290 PolarHBondContact O-N 3.19Å; M275-T290 PolarHBondContact O-OG1 2.75Å; E288-T290 PolarHBondContact O-N 3.21Å; T290-S304 WeakPolarHBondContact O-CA 3.43Å; T290-V305 PolarHBondContact O-N 2.04Å |
| 291 | H | 95.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149.9 | 179.1 | -53.5 | 70 | 0 | 0 | 0 | 111.4 | M275 V302 I303 S304 | M275-H291 HydrophobicContact CB-CB 3.82Å; M275-H291 PolarHBondContact N-O 2.94Å; M275-H291 PolarHBondContact O-N 3.36Å; M275-H291 HydrophobicContact SD-CB 4.49Å; H291-V302 HydrophobicContact CB-CG1 3.56Å; H291-I303 CarbonylContact C-O 3.5Å; H291-I303 WeakPolarHBondContact CA-O 3.35Å; H291-I303 VanDerWaalsContact CB-O 3.31Å; H291-I303 WeakPolarHBondContact CB-O 3.34Å; H291-S304 VanDerWaalsContact CD2-CA 3.41Å; H291-S304 WeakPolarHBondContact CD2-CA 3.21Å; H291-S304 PolarHBondContact CD2-N 2.91Å; H291-S304 PolarHBondContact CD2-OG 2.88Å; H291-S304 VanDerWaalsContact CD2-OG 3.25Å; H291-S304 PolarHBondContact NE2-OG 2.87Å |
| 292 | C | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 146.1 | 164.1 | -55.3 | 0 | 0 | 0 | 0 | 108.9 | V302 I303 F317 C319 | C292-V302 WeakPolarHBondContact O-CA 3.42Å; C292-I303 PolarHBondContact N-O 2.94Å; C292-I303 PolarHBondContact O-N 3.13Å; C292-I303 VanDerWaalsContact O-N 3.09Å; C292-F317 HydrophobicContact CB-CE1 4.32Å; C292-F317 HydrophobicContact CB-CE2 4.07Å; C292-F317 HydrophobicContact CB-CZ 3.47Å; C292-F317 VanDerWaalsContact CB-CZ 3.47Å; C292-F317 WeakPolarHBondContact O-CE1 3.38Å; C292-C319 HydrophobicContact CB-CB 3.5Å; C292-C319 VanDerWaalsContact CB-CB 3.5Å; C292-C319 WeakPolarHBondContact CB-SG 3.08Å; C292-C319 PolarHBondContact N-SG 2.81Å; C292-C319 VanDerWaalsContact SG-CA 3.53Å; C292-C319 WeakPolarHBondContact SG-CB 3.34Å; C292-C319 CovalentContact SG-SG 2.03Å; C292-C319 PolarHBondContact SG-SG 2.83Å |
| 293 | V | 94.7 | Very high | 93 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.7 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | F265 M272 G273 M275 R300 K301 V302 | F265-V293 HydrophobicContact CD1-CG2 4.02Å; F265-V293 HydrophobicContact CE1-CG2 3.78Å; M272-V293 CarbonylContact C-O 3.49Å; M272-V293 WeakPolarHBondContact CA-O 3.47Å; G273-V293 PolarHBondContact N-O 2.79Å; G273-V293 PolarHBondContact O-N 3.25Å; M275-V293 HydrophobicContact CB-CG2 4.5Å; V293-R300 HydrophobicContact CG1-CG 4Å; V293-K301 WeakPolarHBondContact CA-O 3.05Å; V293-V302 HydrophobicContact CG1-CG2 4.18Å; V293-V302 HydrophobicContact CG2-CG1 4.3Å; V293-V302 HydrophobicContact CG2-CG2 4.13Å |
| 294 | V | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.2 | 166.4 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | M272 E296 R300 K301 Y311 F317 L331 | M272-V294 HydrophobicContact CE-CB 3.37Å; M272-V294 HydrophobicContact CE-CG2 3.21Å; M272-V294 HydrophobicContact SD-CB 4.34Å; V294-E296 HydrophobicContact CG2-CB 4.18Å; V294-R300 WeakPolarHBondContact O-CA 3.35Å; V294-K301 HydrophobicContact CG1-CB 3.75Å; V294-K301 PolarHBondContact N-O 2.79Å; V294-K301 PolarHBondContact O-N 3.38Å; V294-Y311 HydrophobicContact CB-CE2 4.46Å; V294-Y311 HydrophobicContact CG1-CD2 3.7Å; V294-Y311 HydrophobicContact CG1-CE2 3.42Å; V294-Y311 VanDerWaalsContact CG1-CE2 3.42Å; V294-Y311 HydrophobicContact CG1-CG 4.37Å; V294-Y311 HydrophobicContact CG2-CE1 3.92Å; V294-Y311 HydrophobicContact CG2-CE2 4.16Å; V294-F317 HydrophobicContact CB-CD1 4.3Å; V294-F317 HydrophobicContact CB-CD2 4.33Å; V294-F317 HydrophobicContact CB-CE1 4.11Å; V294-F317 HydrophobicContact CB-CE2 4.18Å; V294-F317 HydrophobicContact CB-CG 4.4Å; V294-F317 HydrophobicContact CB-CZ 4.06Å; V294-F317 HydrophobicContact CG1-CB 4.47Å; V294-F317 HydrophobicContact CG1-CD1 3.51Å; V294-F317 HydrophobicContact CG1-CD2 4.28Å; V294-F317 HydrophobicContact CG1-CE1 3.63Å; V294-F317 HydrophobicContact CG1-CE2 4.41Å; V294-F317 HydrophobicContact CG1-CG 3.85Å; V294-F317 HydrophobicContact CG1-CZ 4.09Å; V294-L331 HydrophobicContact CG2-CD2 4.05Å |
| 295 | N | 89.6 | Confident | 93 | Very high | 93 Ų | 93 | 52.9 Ų | 52.9 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 83.8 | 173.4 | -169.3 | 20 | 0 | 0 | 0 | 110.1 | P271 | P271-N295 PolarHBondContact O-N 3.23Å |
| 296 | E | 86.1 | Confident | 92.9 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -149 | 116.9 | -176 | -172.5 | -170.9 | -131.7 | 0 | 0 | 112.8 | P271 V294 Y298 Y311 K315 L331 | P271-E296 HydrophobicContact CB-CB 4.14Å; V294-E296 HydrophobicContact CG2-CB 4.18Å; E296-Y298 PolarHBondContact O-N 2.98Å; E296-Y311 HydrophobicContact CB-CE1 4.45Å; E296-Y311 PolarHBondContact N-OH 3.46Å; E296-Y311 VanDerWaalsContact O-CE1 3.27Å; E296-Y311 WeakPolarHBondContact O-CE1 3.39Å; E296-Y311 PolarHBondContact O-OH 2.84Å; E296-K315 IonicContact OE2-NZ 3.08Å; E296-K315 PolarHBondContact OE2-NZ 2.88Å; E296-L331 WeakPolarHBondContact OE2-CD2 3.43Å |
| 297 | G | 84.9 | Confident | 93 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 90% | 0.897 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 68.2 | -67.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | G299 | G297-G299 VanDerWaalsContact C-N 3.26Å; G297-G299 PolarHBondContact O-N 3.29Å |
| 298 | Y | 86.8 | Confident | 93.2 | Very high | 141 Ų | 141 | 48.8 Ų | 48.8 | 55% | 0.553 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -85.6 | 14.6 | -179.4 | -61.3 | -71.2 | 0 | 0 | 0 | 114 | E296 Y311 P313 | E296-Y298 PolarHBondContact O-N 2.98Å; Y298-Y311 HydrophobicContact CD2-CD1 4.37Å; Y298-Y311 HydrophobicContact CD2-CE1 4.23Å; Y298-P313 VanDerWaalsContact OH-CD 3.3Å; Y298-P313 WeakPolarHBondContact OH-CD 3.35Å |
| 299 | G | 89.1 | Confident | 93.3 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | trans | 87.3 | -168.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G297 Y311 | G297-G299 VanDerWaalsContact C-N 3.26Å; G297-G299 PolarHBondContact O-N 3.29Å; G299-Y311 PolarHBondContact O-OH 3.31Å | ||
| 300 | R | 91.4 | Very high | 93.3 | Very high | 136 Ų | 136 | 45.1 Ų | 45.1 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.6 | -173.9 | -173.3 | -173 | -164.8 | 172.1 | 22.9 | 111.5 | F265 V293 V294 V302 | F265-R300 VanDerWaalsContact CE1-CZ 3.46Å; F265-R300 VanDerWaalsContact CZ-NH1 3.34Å; V293-R300 HydrophobicContact CG1-CG 4Å; V294-R300 WeakPolarHBondContact O-CA 3.35Å; R300-V302 HydrophobicContact CG-CG2 4.4Å |
| 301 | K | 93.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139 | 167.7 | -166.6 | 155.7 | -176 | 175.4 | 0 | 111.2 | V293 V294 I303 S309 S310 Y311 | V293-K301 WeakPolarHBondContact CA-O 3.05Å; V294-K301 HydrophobicContact CG1-CB 3.75Å; V294-K301 PolarHBondContact N-O 2.79Å; V294-K301 PolarHBondContact O-N 3.38Å; K301-I303 HydrophobicContact CG-CG2 4.36Å; K301-S309 WeakPolarHBondContact CE-OG 3.41Å; K301-S309 PolarHBondContact NZ-OG 2.76Å; K301-S310 PolarHBondContact NZ-O 2.78Å; K301-Y311 HydrophobicContact CB-CD2 3.76Å; K301-Y311 HydrophobicContact CB-CE2 3.7Å; K301-Y311 HydrophobicContact CD-CD2 4.05Å; K301-Y311 HydrophobicContact CG-CD2 4.48Å |
| 302 | V | 94.9 | Very high | 93.1 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.3 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | H291 C292 V293 R300 | H291-V302 HydrophobicContact CB-CG1 3.56Å; C292-V302 WeakPolarHBondContact O-CA 3.42Å; V293-V302 HydrophobicContact CG1-CG2 4.18Å; V293-V302 HydrophobicContact CG2-CG1 4.3Å; V293-V302 HydrophobicContact CG2-CG2 4.13Å; R300-V302 HydrophobicContact CG-CG2 4.4Å |
| 303 | I | 95.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.7 | 177 | 65 | -177.6 | 0 | 0 | 0 | 109.7 | H291 C292 K301 C307 F317 C319 | H291-I303 CarbonylContact C-O 3.5Å; H291-I303 WeakPolarHBondContact CA-O 3.35Å; H291-I303 VanDerWaalsContact CB-O 3.31Å; H291-I303 WeakPolarHBondContact CB-O 3.34Å; C292-I303 PolarHBondContact N-O 2.94Å; C292-I303 PolarHBondContact O-N 3.13Å; C292-I303 VanDerWaalsContact O-N 3.09Å; K301-I303 HydrophobicContact CG-CG2 4.36Å; I303-C307 HydrophobicContact CB-CB 4.14Å; I303-C307 WeakPolarHBondContact CD1-O 3.45Å; I303-F317 HydrophobicContact CD1-CB 4.36Å; I303-F317 HydrophobicContact CD1-CD1 3.41Å; I303-F317 VanDerWaalsContact CD1-CD1 3.41Å; I303-F317 HydrophobicContact CD1-CD2 4.39Å; I303-F317 HydrophobicContact CD1-CE1 3.72Å; I303-F317 HydrophobicContact CD1-CG 3.8Å; I303-F317 HydrophobicContact CD1-CZ 4.31Å; I303-F317 VanDerWaalsContact CD1-O 3.25Å; I303-F317 WeakPolarHBondContact CD1-O 3.36Å; I303-F317 HydrophobicContact CG1-CD1 3.74Å; I303-F317 HydrophobicContact CG1-CE1 3.56Å; I303-F317 HydrophobicContact CG1-CZ 4.22Å; I303-F317 HydrophobicContact CG2-CD1 4.18Å; I303-F317 HydrophobicContact CG2-CE1 4.47Å; I303-C319 HydrophobicContact CD1-CB 3.89Å; I303-C319 HydrophobicContact CG1-CB 3.68Å |
| 304 | S | 96.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 155.9 | 179.6 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | T290 H291 G306 C307 | T290-S304 WeakPolarHBondContact O-CA 3.43Å; H291-S304 VanDerWaalsContact CD2-CA 3.41Å; H291-S304 WeakPolarHBondContact CD2-CA 3.21Å; H291-S304 PolarHBondContact CD2-N 2.91Å; H291-S304 PolarHBondContact CD2-OG 2.88Å; H291-S304 VanDerWaalsContact CD2-OG 3.25Å; H291-S304 PolarHBondContact NE2-OG 2.87Å; S304-G306 PolarHBondContact O-N 3.22Å; S304-C307 VanDerWaalsContact O-CB 3.24Å; S304-C307 WeakPolarHBondContact O-CB 3.45Å; S304-C307 PolarHBondContact O-N 2.92Å |
| 305 | V | 95.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 133.9 | 170.9 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | V289 T290 Q321 T327 | V289-V305 HydrophobicContact CG1-CG2 4.3Å; V289-V305 VanDerWaalsContact O-CG2 3.24Å; V289-V305 WeakPolarHBondContact O-CG2 3.39Å; T290-V305 PolarHBondContact O-N 2.04Å; V305-Q321 HydrophobicContact CG1-CB 3.95Å; V305-T327 HydrophobicContact CG2-CG2 3.7Å |
| 306 | G | 96.3 | Very high | 93 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S304 C319 V349 R350 | S304-G306 PolarHBondContact O-N 3.22Å; G306-C319 WeakPolarHBondContact CA-O 3.48Å; G306-C319 PolarHBondContact N-O 2.82Å; G306-V349 WeakPolarHBondContact O-CA 3.35Å; G306-V349 VanDerWaalsContact O-CB 3.26Å; G306-V349 WeakPolarHBondContact O-CB 3.36Å; G306-R350 WeakPolarHBondContact O-CG 3.5Å; G306-R350 PolarHBondContact O-N 3.1Å |
| 307 | C | 97.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 155 | 178.1 | -74.1 | 0 | 0 | 0 | 0 | 113.1 | I303 S304 C319 R350 C352 | I303-C307 HydrophobicContact CB-CB 4.14Å; I303-C307 WeakPolarHBondContact CD1-O 3.45Å; S304-C307 VanDerWaalsContact O-CB 3.24Å; S304-C307 WeakPolarHBondContact O-CB 3.45Å; S304-C307 PolarHBondContact O-N 2.92Å; C307-C319 PolarHBondContact O-N 3.37Å; C307-R350 CarbonylContact C-O 3.57Å; C307-R350 WeakPolarHBondContact CA-O 3.11Å; C307-C352 HydrophobicContact CB-CB 3.54Å; C307-C352 WeakPolarHBondContact CB-SG 3.35Å; C307-C352 WeakPolarHBondContact SG-CB 3.41Å; C307-C352 CovalentContact SG-SG 2.04Å; C307-C352 PolarHBondContact SG-SG 2.66Å |
| 308 | G | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F317 I344 R350 F351 C352 | G308-F317 CarbonylContact C-O 3.47Å; G308-F317 WeakPolarHBondContact CA-O 3.44Å; G308-I344 VanDerWaalsContact C-CD1 3.45Å; G308-R350 PolarHBondContact N-O 3.21Å; G308-F351 WeakPolarHBondContact O-CA 3.26Å; G308-C352 PolarHBondContact O-N 3.44Å |
| 309 | S | 96 | Very high | 94.4 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.4 | -177.9 | -155.4 | 0 | 0 | 0 | 0 | 110.9 | K301 F317 C352 | K301-S309 WeakPolarHBondContact CE-OG 3.41Å; K301-S309 PolarHBondContact NZ-OG 2.76Å; S309-F317 PolarHBondContact N-O 2.77Å; S309-F317 PolarHBondContact O-N 3.35Å; S309-C352 WeakPolarHBondContact CA-OXT 3.24Å; S309-C352 WeakPolarHBondContact CB-OXT 3.42Å; S309-C352 PolarHBondContact OG-OXT 3.39Å |
| 310 | S | 94.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 36.5 Ų | 36.5 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 147.3 | 168.4 | 54.9 | 0 | 0 | 0 | 0 | 111 | K301 | K301-S310 PolarHBondContact NZ-O 2.78Å |
| 311 | Y | 93.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 102.1 | 177.1 | -172.2 | -101.9 | 0 | 0 | 0 | 109.2 | V294 E296 Y298 G299 K301 K315 L331 | V294-Y311 HydrophobicContact CB-CE2 4.46Å; V294-Y311 HydrophobicContact CG1-CD2 3.7Å; V294-Y311 HydrophobicContact CG1-CE2 3.42Å; V294-Y311 VanDerWaalsContact CG1-CE2 3.42Å; V294-Y311 HydrophobicContact CG1-CG 4.37Å; V294-Y311 HydrophobicContact CG2-CE1 3.92Å; V294-Y311 HydrophobicContact CG2-CE2 4.16Å; E296-Y311 HydrophobicContact CB-CE1 4.45Å; E296-Y311 PolarHBondContact N-OH 3.46Å; E296-Y311 VanDerWaalsContact O-CE1 3.27Å; E296-Y311 WeakPolarHBondContact O-CE1 3.39Å; E296-Y311 PolarHBondContact O-OH 2.84Å; Y298-Y311 HydrophobicContact CD2-CD1 4.37Å; Y298-Y311 HydrophobicContact CD2-CE1 4.23Å; G299-Y311 PolarHBondContact O-OH 3.31Å; K301-Y311 HydrophobicContact CB-CD2 3.76Å; K301-Y311 HydrophobicContact CB-CE2 3.7Å; K301-Y311 HydrophobicContact CD-CD2 4.05Å; K301-Y311 HydrophobicContact CG-CD2 4.48Å; Y311-K315 HydrophobicContact CD1-CD 4.45Å; Y311-K315 PolarHBondContact N-O 2.88Å; Y311-K315 VanDerWaalsContact O-CB 3.3Å; Y311-K315 WeakPolarHBondContact O-CB 3.48Å; Y311-K315 PolarHBondContact O-N 3.35Å; Y311-L331 HydrophobicContact CD1-CD1 3.63Å; Y311-L331 HydrophobicContact CD1-CD2 4.37Å; Y311-L331 HydrophobicContact CE1-CD1 4.34Å; Y311-L331 HydrophobicContact CE1-CD2 4.39Å; Y311-L331 HydrophobicContact CG-CD1 3.96Å |
| 312 | G | 91.2 | Very high | 94.8 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -165.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 313 | P | 89.5 | Confident | 94.5 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.8 | -174.4 | 31.4 | -33.5 | 0 | 0 | 0 | 113.6 | Y298 | Y298-P313 VanDerWaalsContact OH-CD 3.3Å; Y298-P313 WeakPolarHBondContact OH-CD 3.35Å |
| 314 | D | 92.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 8.5 | -164.8 | 70.4 | -32.4 | 0 | 0 | 0 | 113.7 | V333 L334 | D314-V333 CarbonylContact O-C 3.51Å; D314-V333 WeakPolarHBondContact O-CA 3.32Å; D314-L334 WeakPolarHBondContact O-CB 3.3Å; D314-L334 PolarHBondContact O-N 2.88Å |
| 315 | K | 94.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 157.2 | 176.3 | -56.9 | 173.7 | 174.9 | 176.4 | 0 | 112.6 | E296 Y311 L331 E332 V333 | E296-K315 IonicContact OE2-NZ 3.08Å; E296-K315 PolarHBondContact OE2-NZ 2.88Å; Y311-K315 HydrophobicContact CD1-CD 4.45Å; Y311-K315 PolarHBondContact N-O 2.88Å; Y311-K315 VanDerWaalsContact O-CB 3.3Å; Y311-K315 WeakPolarHBondContact O-CB 3.48Å; Y311-K315 PolarHBondContact O-N 3.35Å; K315-L331 HydrophobicContact CB-CD1 4.04Å; K315-L331 HydrophobicContact CD-CD1 4.22Å; K315-L331 HydrophobicContact CD-CD2 4Å; K315-L331 HydrophobicContact CD-CG 4.05Å; K315-E332 CarbonylContact C-O 3.5Å; K315-E332 VanDerWaalsContact CA-O 3.23Å; K315-E332 WeakPolarHBondContact CA-O 3.49Å; K315-E332 WeakPolarHBondContact CB-O 3.23Å; K315-V333 HydrophobicContact CG-CG2 4.34Å |
| 316 | V | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.8 | 170.9 | 167.2 | 0 | 0 | 0 | 0 | 108.3 | T318 L331 E332 L334 A340 V343 I344 | V316-T318 HydrophobicContact CG1-CG2 3.74Å; V316-L331 WeakPolarHBondContact O-CA 3.48Å; V316-E332 PolarHBondContact N-O 3.43Å; V316-E332 PolarHBondContact O-N 3.44Å; V316-L334 HydrophobicContact CG2-CD1 4.41Å; V316-L334 HydrophobicContact CG2-CD2 3.35Å; V316-L334 HydrophobicContact CG2-CG 3.86Å; V316-A340 HydrophobicContact CG2-CB 3.78Å; V316-V343 HydrophobicContact CB-CG1 4.25Å; V316-V343 HydrophobicContact CG1-CG1 4.28Å; V316-V343 HydrophobicContact CG2-CB 4.37Å; V316-V343 HydrophobicContact CG2-CG1 4.37Å; V316-I344 HydrophobicContact CG1-CD1 3.95Å; V316-I344 HydrophobicContact CG1-CG1 3.36Å; V316-I344 HydrophobicContact CG2-CG1 4.48Å |
| 317 | F | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.5 | 171.7 | -179.9 | -141.2 | 0 | 0 | 0 | 109.4 | M272 C292 V294 I303 G308 S309 K330 L331 | M272-F317 HydrophobicContact SD-CD2 4.5Å; M272-F317 HydrophobicContact SD-CE2 3.83Å; C292-F317 HydrophobicContact CB-CE1 4.32Å; C292-F317 HydrophobicContact CB-CE2 4.07Å; C292-F317 HydrophobicContact CB-CZ 3.47Å; C292-F317 VanDerWaalsContact CB-CZ 3.47Å; C292-F317 WeakPolarHBondContact O-CE1 3.38Å; V294-F317 HydrophobicContact CB-CD1 4.3Å; V294-F317 HydrophobicContact CB-CD2 4.33Å; V294-F317 HydrophobicContact CB-CE1 4.11Å; V294-F317 HydrophobicContact CB-CE2 4.18Å; V294-F317 HydrophobicContact CB-CG 4.4Å; V294-F317 HydrophobicContact CB-CZ 4.06Å; V294-F317 HydrophobicContact CG1-CB 4.47Å; V294-F317 HydrophobicContact CG1-CD1 3.51Å; V294-F317 HydrophobicContact CG1-CD2 4.28Å; V294-F317 HydrophobicContact CG1-CE1 3.63Å; V294-F317 HydrophobicContact CG1-CE2 4.41Å; V294-F317 HydrophobicContact CG1-CG 3.85Å; V294-F317 HydrophobicContact CG1-CZ 4.09Å; I303-F317 HydrophobicContact CD1-CB 4.36Å; I303-F317 HydrophobicContact CD1-CD1 3.41Å; I303-F317 VanDerWaalsContact CD1-CD1 3.41Å; I303-F317 HydrophobicContact CD1-CD2 4.39Å; I303-F317 HydrophobicContact CD1-CE1 3.72Å; I303-F317 HydrophobicContact CD1-CG 3.8Å; I303-F317 HydrophobicContact CD1-CZ 4.31Å; I303-F317 VanDerWaalsContact CD1-O 3.25Å; I303-F317 WeakPolarHBondContact CD1-O 3.36Å; I303-F317 HydrophobicContact CG1-CD1 3.74Å; I303-F317 HydrophobicContact CG1-CE1 3.56Å; I303-F317 HydrophobicContact CG1-CZ 4.22Å; I303-F317 HydrophobicContact CG2-CD1 4.18Å; I303-F317 HydrophobicContact CG2-CE1 4.47Å; G308-F317 CarbonylContact C-O 3.47Å; G308-F317 WeakPolarHBondContact CA-O 3.44Å; S309-F317 PolarHBondContact N-O 2.77Å; S309-F317 PolarHBondContact O-N 3.35Å; F317-K330 WeakPolarHBondContact CA-O 3.3Å; F317-K330 WeakPolarHBondContact CD2-O 3.4Å; F317-L331 HydrophobicContact CB-CD1 4.06Å |
| 318 | T | 96.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.8 | 176.1 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | V316 G329 K330 I344 H347 V349 | V316-T318 HydrophobicContact CG1-CG2 3.74Å; T318-G329 CarbonylContact O-C 3.48Å; T318-G329 VanDerWaalsContact O-CA 3.31Å; T318-G329 WeakPolarHBondContact O-CA 3.33Å; T318-K330 PolarHBondContact N-O 2.85Å; T318-K330 PolarHBondContact O-N 2.95Å; T318-I344 HydrophobicContact CG2-CG1 4.3Å; T318-H347 HydrophobicContact CG2-CB 4.09Å; T318-V349 HydrophobicContact CG2-CG2 3.94Å |
| 319 | C | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 105.9 | 174.6 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | C292 I303 G306 C307 E328 | C292-C319 HydrophobicContact CB-CB 3.5Å; C292-C319 VanDerWaalsContact CB-CB 3.5Å; C292-C319 WeakPolarHBondContact CB-SG 3.08Å; C292-C319 PolarHBondContact N-SG 2.81Å; C292-C319 VanDerWaalsContact SG-CA 3.53Å; C292-C319 WeakPolarHBondContact SG-CB 3.34Å; C292-C319 CovalentContact SG-SG 2.03Å; C292-C319 PolarHBondContact SG-SG 2.83Å; I303-C319 HydrophobicContact CD1-CB 3.89Å; I303-C319 HydrophobicContact CG1-CB 3.68Å; G306-C319 WeakPolarHBondContact CA-O 3.48Å; G306-C319 PolarHBondContact N-O 2.82Å; C307-C319 PolarHBondContact O-N 3.37Å; C319-E328 WeakPolarHBondContact CA-O 3.42Å |
| 320 | R | 95.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 28% | 0.275 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.1 | -173.2 | 70.7 | 179.1 | -177.7 | 169 | 2.5 | 112.1 | L322 T327 E328 V349 | R320-L322 HydrophobicContact CG-CD2 4.29Å; R320-T327 WeakPolarHBondContact O-CA 3.01Å; R320-E328 HydrophobicContact CG-CB 4.25Å; R320-E328 IonicContact CZ-OE2 2.8Å; R320-E328 PolarHBondContact N-O 3Å; R320-E328 IonicContact NE-OE2 2.71Å; R320-E328 PolarHBondContact NE-OE2 2.8Å; R320-E328 IonicContact NH2-OE2 3.13Å; R320-E328 PolarHBondContact NH2-OE2 3.42Å; R320-E328 PolarHBondContact O-N 3Å; R320-V349 HydrophobicContact CB-CG1 3.65Å |
| 321 | Q | 94.2 | Very high | 92.5 | Very high | 129 Ų | 129 | 61.4 Ų | 61.4 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.5 | 168.5 | -164.5 | 169.3 | 29.2 | 0 | 0 | 109.2 | V305 | V305-Q321 HydrophobicContact CG1-CB 3.95Å |
| 322 | L | 92.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 64.1 Ų | 64.1 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | trans | -83.1 | 165.6 | 176.9 | -62.2 | 179.1 | 0 | 0 | 0 | 110.5 | R320 D324 G325 Y326 E328 | R320-L322 HydrophobicContact CG-CD2 4.29Å; L322-D324 WeakPolarHBondContact CB-OD1 3.01Å; L322-D324 PolarHBondContact O-N 3.41Å; L322-G325 PolarHBondContact O-N 2.8Å; L322-Y326 WeakPolarHBondContact CB-O 3.38Å; L322-Y326 PolarHBondContact N-O 2.92Å; L322-E328 HydrophobicContact CD1-CB 4.15Å; L322-E328 HydrophobicContact CG-CB 4.26Å | ||
| 323 | R | 87.7 | Confident | 92.6 | Very high | 243 Ų | 243 | 66.6 Ų | 66.6 | 92% | 0.917 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.1 | -175.4 | -72.9 | -177.2 | 173.6 | -178.9 | -4.5 | 114.1 | G325 | R323-G325 VanDerWaalsContact C-N 3.28Š|
| 324 | D | 87.8 | Confident | 92.7 | Very high | 108 Ų | 108 | 63.6 Ų | 63.6 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -1.1 | 176 | 53 | 9.2 | 0 | 0 | 0 | 112.7 | L322 Y326 | L322-D324 WeakPolarHBondContact CB-OD1 3.01Å; L322-D324 PolarHBondContact O-N 3.41Å; D324-Y326 HydrophobicContact CB-CD2 4.13Å; D324-Y326 VanDerWaalsContact CG-CD2 3.44Å; D324-Y326 PolarHBondContact OD1-N 3.36Å; D324-Y326 WeakPolarHBondContact OD2-CD2 3.42Å |
| 325 | G | 85.1 | Confident | 92.6 | Very high | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 92.9 | -7.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L322 R323 | L322-G325 PolarHBondContact O-N 2.8Å; R323-G325 VanDerWaalsContact C-N 3.28Å |
| 326 | Y | 90.1 | Very high | 92.3 | Very high | 169 Ų | 169 | 71.3 Ų | 71.3 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | trans | -73.2 | 152.3 | 176.4 | -69.8 | -77.9 | 0 | 0 | 0 | 111.9 | L322 D324 | L322-Y326 WeakPolarHBondContact CB-O 3.38Å; L322-Y326 PolarHBondContact N-O 2.92Å; D324-Y326 HydrophobicContact CB-CD2 4.13Å; D324-Y326 VanDerWaalsContact CG-CD2 3.44Å; D324-Y326 PolarHBondContact OD1-N 3.36Å; D324-Y326 WeakPolarHBondContact OD2-CD2 3.42Å | ||
| 327 | T | 92 | Very high | 92.1 | Very high | 21 Ų | 21 | 75.5 Ų | 75.5 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.2 | 175 | -61 | 0 | 0 | 0 | 0 | 110.6 | Y274 V289 V305 R320 | Y274-T327 HydrophobicContact CE1-CG2 4.44Å; Y274-T327 PolarHBondContact OH-O 3Å; V289-T327 HydrophobicContact CB-CG2 4.16Å; V289-T327 HydrophobicContact CG1-CG2 3.6Å; V305-T327 HydrophobicContact CG2-CG2 3.7Å; R320-T327 WeakPolarHBondContact O-CA 3.01Å |
| 328 | E | 93.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 81.6 Ų | 81.6 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.6 | 178.3 | -173.9 | -176.2 | -135.5 | 0 | 0 | 110.2 | C319 R320 L322 | C319-E328 WeakPolarHBondContact CA-O 3.42Å; R320-E328 HydrophobicContact CG-CB 4.25Å; R320-E328 IonicContact CZ-OE2 2.8Å; R320-E328 PolarHBondContact N-O 3Å; R320-E328 IonicContact NE-OE2 2.71Å; R320-E328 PolarHBondContact NE-OE2 2.8Å; R320-E328 IonicContact NH2-OE2 3.13Å; R320-E328 PolarHBondContact NH2-OE2 3.42Å; R320-E328 PolarHBondContact O-N 3Å; L322-E328 HydrophobicContact CD1-CB 4.15Å; L322-E328 HydrophobicContact CG-CB 4.26Å |
| 329 | G | 93.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 84 Ų | 84 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T318 | T318-G329 CarbonylContact O-C 3.48Å; T318-G329 VanDerWaalsContact O-CA 3.31Å; T318-G329 WeakPolarHBondContact O-CA 3.33Å |
| 330 | K | 93.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 85 Ų | 85 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.9 | 179.3 | -166.3 | -173.7 | -178.4 | -160.4 | 0 | 110.5 | F317 T318 E332 | F317-K330 WeakPolarHBondContact CA-O 3.3Å; F317-K330 WeakPolarHBondContact CD2-O 3.4Å; T318-K330 PolarHBondContact N-O 2.85Å; T318-K330 PolarHBondContact O-N 2.95Å; K330-E332 IonicContact NZ-OE1 3.95Å; K330-E332 PolarHBondContact NZ-OE1 2.78Å; K330-E332 VanDerWaalsContact NZ-OE1 3.08Å; K330-E332 IonicContact NZ-OE2 3.44Å; K330-E332 PolarHBondContact NZ-OE2 3.29Å |
| 331 | L | 93.1 | Very high | 91.4 | Very high | 43 Ų | 43 | 87.7 Ų | 87.7 | 23% | 0.225 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.5 | 168.9 | -172.5 | 68.9 | 0 | 0 | 0 | 108.6 | M272 V294 E296 Y311 K315 V316 F317 | M272-L331 HydrophobicContact CE-CB 4.12Å; M272-L331 HydrophobicContact CE-CD2 4.37Å; V294-L331 HydrophobicContact CG2-CD2 4.05Å; E296-L331 WeakPolarHBondContact OE2-CD2 3.43Å; Y311-L331 HydrophobicContact CD1-CD1 3.63Å; Y311-L331 HydrophobicContact CD1-CD2 4.37Å; Y311-L331 HydrophobicContact CE1-CD1 4.34Å; Y311-L331 HydrophobicContact CE1-CD2 4.39Å; Y311-L331 HydrophobicContact CG-CD1 3.96Å; K315-L331 HydrophobicContact CB-CD1 4.04Å; K315-L331 HydrophobicContact CD-CD1 4.22Å; K315-L331 HydrophobicContact CD-CD2 4Å; K315-L331 HydrophobicContact CD-CG 4.05Å; V316-L331 WeakPolarHBondContact O-CA 3.48Å; F317-L331 HydrophobicContact CB-CD1 4.06Å |
| 332 | E | 92.8 | Very high | 91.4 | Very high | 62 Ų | 62 | 85.4 Ų | 85.4 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.4 | -173.4 | -178.7 | 162.8 | -147 | 0 | 0 | 110.8 | K315 V316 K330 H347 | K315-E332 CarbonylContact C-O 3.5Å; K315-E332 VanDerWaalsContact CA-O 3.23Å; K315-E332 WeakPolarHBondContact CA-O 3.49Å; K315-E332 WeakPolarHBondContact CB-O 3.23Å; V316-E332 PolarHBondContact N-O 3.43Å; V316-E332 PolarHBondContact O-N 3.44Å; K330-E332 IonicContact NZ-OE1 3.95Å; K330-E332 PolarHBondContact NZ-OE1 2.78Å; K330-E332 VanDerWaalsContact NZ-OE1 3.08Å; K330-E332 IonicContact NZ-OE2 3.44Å; K330-E332 PolarHBondContact NZ-OE2 3.29Å; E332-H347 IonicContact OE2-CE1 2.74Å; E332-H347 PolarHBondContact OE2-CE1 2.79Å; E332-H347 IonicContact OE2-NE2 2.79Å; E332-H347 PolarHBondContact OE2-NE2 2.88Å |
| 333 | V | 93.5 | Very high | 91.4 | Very high | 86 Ų | 86 | 83.1 Ų | 83.1 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.3 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | D314 K315 P335 | D314-V333 CarbonylContact O-C 3.51Å; D314-V333 WeakPolarHBondContact O-CA 3.32Å; K315-V333 HydrophobicContact CG-CG2 4.34Å; V333-P335 VanDerWaalsContact O-CD 3.23Å; V333-P335 WeakPolarHBondContact O-CD 3.33Å |
| 334 | L | 92.2 | Very high | 91.8 | Very high | 38 Ų | 38 | 71.6 Ų | 71.6 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | trans | -60.2 | 115 | 174.5 | -78.3 | 168.8 | 0 | 0 | 0 | 109.9 | D314 V316 K336 A340 V343 | D314-L334 WeakPolarHBondContact O-CB 3.3Å; D314-L334 PolarHBondContact O-N 2.88Å; V316-L334 HydrophobicContact CG2-CD1 4.41Å; V316-L334 HydrophobicContact CG2-CD2 3.35Å; V316-L334 HydrophobicContact CG2-CG 3.86Å; L334-K336 PolarHBondContact O-N 3.03Å; L334-A340 HydrophobicContact CD2-CB 3.96Å; L334-V343 HydrophobicContact CD2-CB 4.46Å; L334-V343 HydrophobicContact CD2-CG2 4Å | ||
| 335 | P | 90.4 | Very high | 92 | Very high | 56 Ų | 56 | 69 Ų | 69 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -62.1 | 138.7 | 175.2 | -21.3 | 34.2 | 0 | 0 | 0 | 110.4 | V333 G337 K338 V343 | V333-P335 VanDerWaalsContact O-CD 3.23Å; V333-P335 WeakPolarHBondContact O-CD 3.33Å; P335-G337 PolarHBondContact O-N 2.76Å; P335-K338 HydrophobicContact CB-CB 4.41Å; P335-K338 HydrophobicContact CB-CD 4.29Å; P335-K338 HydrophobicContact CB-CG 4.3Å; P335-K338 HydrophobicContact CG-CD 4.28Å; P335-K338 PolarHBondContact O-N 3.08Å; P335-V343 HydrophobicContact CG-CG2 4.4Å | ||
| 336 | K | 88.3 | Confident | 92.5 | Very high | 216 Ų | 216 | 70.7 Ų | 70.7 | 94% | 0.939 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 128.3 | 177.8 | -71.6 | -174.6 | 179 | -179.5 | 0 | 110.5 | L334 K338 | L334-K336 PolarHBondContact O-N 3.03Å; K336-K338 VanDerWaalsContact C-N 3.34Å |
| 337 | G | 89.9 | Confident | 92.6 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 93% | 0.928 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -3.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P335 | P335-G337 PolarHBondContact O-N 2.76Š|
| 338 | K | 91.2 | Very high | 92.7 | Very high | 127 Ų | 127 | 72.6 Ų | 72.6 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | trans | -97.9 | 141.8 | 171 | -68.3 | -162 | 175.8 | -172.4 | 0 | 111.1 | P335 K336 V343 | P335-K338 HydrophobicContact CB-CB 4.41Å; P335-K338 HydrophobicContact CB-CD 4.29Å; P335-K338 HydrophobicContact CB-CG 4.3Å; P335-K338 HydrophobicContact CG-CD 4.28Å; P335-K338 PolarHBondContact O-N 3.08Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K338-V343 HydrophobicContact CB-CG2 4.19Å; K338-V343 HydrophobicContact CD-CG2 4.49Å | ||
| 339 | S | 92.5 | Very high | 92.8 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -77.6 | 157.7 | 170.6 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | F341 D342 V343 | S339-F341 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact OG-N 2.72Å; S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 2.04Å; S339-D342 PolarHBondContact O-N 3.28Å; S339-D342 VanDerWaalsContact O-N 3.17Å; S339-D342 PolarHBondContact OG-N 2.88Å; S339-D342 VanDerWaalsContact OG-N 3.13Å; S339-D342 PolarHBondContact OG-OD2 2.97Å; S339-V343 PolarHBondContact O-N 2.79Å | ||
| 340 | A | 92.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 77.8 Ų | 77.8 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.2 | -34.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V316 L334 V343 I344 | V316-A340 HydrophobicContact CG2-CB 3.78Å; L334-A340 HydrophobicContact CD2-CB 3.96Å; A340-V343 PolarHBondContact O-N 3.19Å; A340-I344 WeakPolarHBondContact O-CB 3.35Å; A340-I344 WeakPolarHBondContact O-CD1 3.18Å; A340-I344 WeakPolarHBondContact O-CG1 3.49Å; A340-I344 PolarHBondContact O-N 3.07Å |
| 341 | F | 93.6 | Very high | 92.9 | Very high | 130 Ų | 130 | 79.4 Ų | 79.4 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.8 | -46.6 | 175.9 | -175.1 | -92.9 | 0 | 0 | 0 | 111.8 | S339 V343 I344 A345 F351 | S339-F341 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact OG-N 2.72Å; F341-V343 VanDerWaalsContact C-N 3.34Å; F341-V343 PolarHBondContact O-N 3.28Å; F341-I344 PolarHBondContact O-N 2.9Å; F341-A345 VanDerWaalsContact O-CB 3.3Å; F341-A345 WeakPolarHBondContact O-CB 3.45Å; F341-A345 PolarHBondContact O-N 2.84Å; F341-F351 HydrophobicContact CD2-CB 4.4Å |
| 342 | D | 93.5 | Very high | 92.9 | Very high | 82 Ų | 82 | 80.8 Ų | 80.8 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 179.7 | -57.7 | -46.3 | 0 | 0 | 0 | 112 | S339 S346 | S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 2.04Å; S339-D342 PolarHBondContact O-N 3.28Å; S339-D342 VanDerWaalsContact O-N 3.17Å; S339-D342 PolarHBondContact OG-N 2.88Å; S339-D342 VanDerWaalsContact OG-N 3.13Å; S339-D342 PolarHBondContact OG-OD2 2.97Å; D342-S346 PolarHBondContact O-N 2.83Å |
| 343 | V | 93.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | V316 L334 P335 K338 S339 A340 F341 A345 S346 H347 | V316-V343 HydrophobicContact CB-CG1 4.25Å; V316-V343 HydrophobicContact CG1-CG1 4.28Å; V316-V343 HydrophobicContact CG2-CB 4.37Å; V316-V343 HydrophobicContact CG2-CG1 4.37Å; L334-V343 HydrophobicContact CD2-CB 4.46Å; L334-V343 HydrophobicContact CD2-CG2 4Å; P335-V343 HydrophobicContact CG-CG2 4.4Å; K338-V343 HydrophobicContact CB-CG2 4.19Å; K338-V343 HydrophobicContact CD-CG2 4.49Å; S339-V343 PolarHBondContact O-N 2.79Å; A340-V343 PolarHBondContact O-N 3.19Å; F341-V343 VanDerWaalsContact C-N 3.34Å; F341-V343 PolarHBondContact O-N 3.28Å; V343-A345 PolarHBondContact O-N 3.21Å; V343-S346 WeakPolarHBondContact O-CB 3.48Å; V343-S346 PolarHBondContact O-N 3.03Å; V343-S346 PolarHBondContact O-OG 2.89Å; V343-H347 PolarHBondContact O-CD2 3.35Å; V343-H347 VanDerWaalsContact O-CD2 3.23Å; V343-H347 PolarHBondContact O-N 3.23Å |
| 344 | I | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.3 | -71.9 | 167.3 | 0 | 0 | 0 | 110.7 | G308 V316 T318 A340 F341 S346 H347 V349 F351 | G308-I344 VanDerWaalsContact C-CD1 3.45Å; V316-I344 HydrophobicContact CG1-CD1 3.95Å; V316-I344 HydrophobicContact CG1-CG1 3.36Å; V316-I344 HydrophobicContact CG2-CG1 4.48Å; T318-I344 HydrophobicContact CG2-CG1 4.3Å; A340-I344 WeakPolarHBondContact O-CB 3.35Å; A340-I344 WeakPolarHBondContact O-CD1 3.18Å; A340-I344 WeakPolarHBondContact O-CG1 3.49Å; A340-I344 PolarHBondContact O-N 3.07Å; F341-I344 PolarHBondContact O-N 2.9Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.2Å; I344-H347 WeakPolarHBondContact O-CB 3.06Å; I344-H347 PolarHBondContact O-N 2.81Å; I344-H347 VanDerWaalsContact O-N 3.09Å; I344-V349 HydrophobicContact CG2-CG2 3.82Å; I344-V349 WeakPolarHBondContact O-CG2 3.07Å; I344-F351 HydrophobicContact CD1-CD2 3.29Å; I344-F351 HydrophobicContact CD1-CE2 3.51Å; I344-F351 HydrophobicContact CD1-CG 4.39Å |
| 345 | A | 93.1 | Very high | 92.9 | Very high | 52 Ų | 52 | 83.9 Ų | 83.9 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F341 V343 H347 R348 | F341-A345 VanDerWaalsContact O-CB 3.3Å; F341-A345 WeakPolarHBondContact O-CB 3.45Å; F341-A345 PolarHBondContact O-N 2.84Å; V343-A345 PolarHBondContact O-N 3.21Å; A345-H347 PolarHBondContact O-N 2.97Å; A345-R348 WeakPolarHBondContact O-CA 3.24Å; A345-R348 PolarHBondContact O-N 2.97Å |
| 346 | S | 93.8 | Very high | 93 | Very high | 80 Ų | 80 | 85.5 Ų | 85.5 | 56% | 0.559 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.7 | -26.9 | 176.2 | 81.1 | 0 | 0 | 0 | 0 | 113.3 | D342 V343 I344 R348 | D342-S346 PolarHBondContact O-N 2.83Å; V343-S346 WeakPolarHBondContact O-CB 3.48Å; V343-S346 PolarHBondContact O-N 3.03Å; V343-S346 PolarHBondContact O-OG 2.89Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.2Å; S346-R348 VanDerWaalsContact C-N 3.28Å |
| 347 | H | 93.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 77.4 Ų | 77.4 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.6 | 173.7 | -72.9 | -64.3 | 0 | 0 | 0 | 113.7 | T318 E332 V343 I344 A345 V349 | T318-H347 HydrophobicContact CG2-CB 4.09Å; E332-H347 IonicContact OE2-CE1 2.74Å; E332-H347 PolarHBondContact OE2-CE1 2.79Å; E332-H347 IonicContact OE2-NE2 2.79Å; E332-H347 PolarHBondContact OE2-NE2 2.88Å; V343-H347 PolarHBondContact O-CD2 3.35Å; V343-H347 VanDerWaalsContact O-CD2 3.23Å; V343-H347 PolarHBondContact O-N 3.23Å; I344-H347 WeakPolarHBondContact O-CB 3.06Å; I344-H347 PolarHBondContact O-N 2.81Å; I344-H347 VanDerWaalsContact O-N 3.09Å; A345-H347 PolarHBondContact O-N 2.97Å; H347-V349 VanDerWaalsContact C-N 3.26Å; H347-V349 HydrophobicContact CB-CG2 3.94Å; H347-V349 PolarHBondContact O-N 3.46Å |
| 348 | R | 93.3 | Very high | 93.6 | Very high | 214 Ų | 214 | 76.5 Ų | 76.5 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 36.6 | -179.2 | -53.9 | -179.3 | -178.7 | -175.3 | -1.2 | 113.3 | A345 S346 | A345-R348 WeakPolarHBondContact O-CA 3.24Å; A345-R348 PolarHBondContact O-N 2.97Å; S346-R348 VanDerWaalsContact C-N 3.28Å |
| 349 | V | 95.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | trans | -117.5 | 157.5 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 109.4 | G306 T318 R320 I344 H347 | G306-V349 WeakPolarHBondContact O-CA 3.35Å; G306-V349 VanDerWaalsContact O-CB 3.26Å; G306-V349 WeakPolarHBondContact O-CB 3.36Å; T318-V349 HydrophobicContact CG2-CG2 3.94Å; R320-V349 HydrophobicContact CB-CG1 3.65Å; I344-V349 HydrophobicContact CG2-CG2 3.82Å; I344-V349 WeakPolarHBondContact O-CG2 3.07Å; H347-V349 VanDerWaalsContact C-N 3.26Å; H347-V349 HydrophobicContact CB-CG2 3.94Å; H347-V349 PolarHBondContact O-N 3.46Å | ||
| 350 | R | 94.9 | Very high | 93.8 | Very high | 174 Ų | 174 | 74.5 Ų | 74.5 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 152.2 | 176.8 | 63.9 | 179.4 | 179.3 | 178.7 | 1.1 | 110.7 | G306 C307 G308 C352 | G306-R350 WeakPolarHBondContact O-CG 3.5Å; G306-R350 PolarHBondContact O-N 3.1Å; C307-R350 CarbonylContact C-O 3.57Å; C307-R350 WeakPolarHBondContact CA-O 3.11Å; G308-R350 PolarHBondContact N-O 3.21Å; R350-C352 PolarHBondContact O-N 3.06Å |
| 351 | F | 93.9 | Very high | 93.9 | Very high | 104 Ų | 104 | 79 Ų | 79 | 46% | 0.456 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.5 | 170 | -164.3 | -85.1 | 0 | 0 | 0 | 109.9 | G308 F341 I344 | G308-F351 WeakPolarHBondContact O-CA 3.26Å; F341-F351 HydrophobicContact CD2-CB 4.4Å; I344-F351 HydrophobicContact CD1-CD2 3.29Å; I344-F351 HydrophobicContact CD1-CE2 3.51Å; I344-F351 HydrophobicContact CD1-CG 4.39Å |
| 352 | C | 93.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 74.4 Ų | 74.4 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | trans | -134.1 | 0 | 171.1 | -49.6 | 0 | 0 | 0 | 0 | 107.1 | C307 G308 S309 R350 | C307-C352 HydrophobicContact CB-CB 3.54Å; C307-C352 WeakPolarHBondContact CB-SG 3.35Å; C307-C352 WeakPolarHBondContact SG-CB 3.41Å; C307-C352 CovalentContact SG-SG 2.04Å; C307-C352 PolarHBondContact SG-SG 2.66Å; G308-C352 PolarHBondContact O-N 3.44Å; S309-C352 WeakPolarHBondContact CA-OXT 3.24Å; S309-C352 WeakPolarHBondContact CB-OXT 3.42Å; S309-C352 PolarHBondContact OG-OXT 3.39Å; R350-C352 PolarHBondContact O-N 3.06Å |
Retrieved 352 of 352 residues in 218.8 ms
(Link to these results)