| 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 | F | 45.8 | Very low | 54.9 | Low | 258 Ų | 258 | 144.5 Ų | 144.5 | 100% | 1.132 | 70% | 0.698 | S | S | * | * | 0 | 135 | 0 | -60.2 | -90.3 | 0 | 0 | 0 | 108.3 | |||||
| 2 | K | 51 | Low | 54.7 | Low | 197 Ų | 197 | 144.1 Ų | 144.1 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | trans | 89.7 | 101.6 | -166 | -54.9 | 173.8 | -178.6 | -177.9 | 0 | 112.5 | ||||
| 3 | N | 51 | Low | 54.6 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 174.3 | -8.1 | 151.2 | -88.6 | 0.6 | 0 | 0 | 0 | 113.4 | ||
| 4 | N | 56.1 | Low | 54.5 | Low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -89.9 | -27.5 | 178.2 | -138 | 23.9 | 0 | 0 | 0 | 113.7 | L8 | N4-L8 PolarHBondContact O-N 3.2Å |
| 5 | T | 58.8 | Low | 54.6 | Low | 91 Ų | 91 | 146.6 Ų | 146.6 | 56% | 0.558 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -68.2 | -47.5 | -177.3 | -25.4 | 0 | 0 | 0 | 0 | 111.3 | K7 L8 W9 | T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.33Å; T5-L8 VanDerWaalsContact O-CB 3.3Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 2.67Å; T5-W9 PolarHBondContact O-N 2.72Å; T5-W9 VanDerWaalsContact O-N 3.12Å |
| 6 | A | 58.7 | Low | 54.8 | Low | 50 Ų | 50 | 148.1 Ų | 148.1 | 41% | 0.413 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -57.9 | -39.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 W9 F10 | A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.44Å; A6-W9 PolarHBondContact O-N 3.12Å; A6-F10 WeakPolarHBondContact O-CD2 3.4Å; A6-F10 PolarHBondContact O-N 3.21Å |
| 7 | K | 55 | Low | 55.1 | Low | 139 Ų | 139 | 150.8 Ų | 150.8 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -64.8 | -33.6 | 177.7 | -156.5 | 175 | -174.5 | 178.6 | 0 | 112.3 | T5 L11 | T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.33Å; K7-L11 HydrophobicContact CG-CD1 4.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 WeakPolarHBondContact O-CG 3.07Å; K7-L11 PolarHBondContact O-N 3.4Å |
| 8 | L | 58.3 | Low | 55.5 | Low | 118 Ų | 118 | 152.8 Ų | 152.8 | 62% | 0.618 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -68.4 | -41.7 | 174.1 | -153.3 | 75.2 | 0 | 0 | 0 | 111.4 | N4 T5 A6 L11 Q12 | N4-L8 PolarHBondContact O-N 3.2Å; T5-L8 VanDerWaalsContact O-CB 3.3Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 2.67Å; A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-Q12 PolarHBondContact O-N 3.01Å |
| 9 | W | 57.3 | Low | 55.9 | Low | 174 Ų | 174 | 155.8 Ų | 155.8 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 174.8 | -66.5 | 101.1 | 0 | 0 | 0 | 112.3 | T5 A6 L11 Q12 | T5-W9 PolarHBondContact O-N 2.72Å; T5-W9 VanDerWaalsContact O-N 3.12Å; A6-W9 PolarHBondContact O-N 3.12Å; W9-L11 PolarHBondContact O-N 2.99Å; W9-Q12 PolarHBondContact O-N 3.28Å |
| 10 | F | 55.1 | Low | 56.3 | Low | 164 Ų | 164 | 156.7 Ų | 156.7 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -71.2 | -25.8 | 179.6 | -77.8 | -67.8 | 0 | 0 | 0 | 114.4 | A6 | A6-F10 WeakPolarHBondContact O-CD2 3.4Å; A6-F10 PolarHBondContact O-N 3.21Å |
| 11 | L | 56.5 | Low | 57 | Low | 114 Ų | 114 | 152.3 Ų | 152.3 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -79.6 | -28.5 | 176.4 | -79.3 | 163.4 | 0 | 0 | 0 | 112.4 | K7 L8 W9 K14 | K7-L11 HydrophobicContact CG-CD1 4.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 WeakPolarHBondContact O-CG 3.07Å; K7-L11 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.95Å; W9-L11 PolarHBondContact O-N 2.99Å; L11-K14 PolarHBondContact O-N 3.44Å |
| 12 | Q | 52.7 | Low | 58.8 | Low | 139 Ų | 139 | 148.8 Ų | 148.8 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -75 | -25.5 | -176.3 | -152.5 | 164.7 | 12.2 | 0 | 0 | 113.1 | L8 W9 K14 | L8-Q12 PolarHBondContact O-N 3.01Å; W9-Q12 PolarHBondContact O-N 3.28Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 3.45Å |
| 13 | D | 53.5 | Low | 60.3 | Low | 116 Ų | 116 | 143 Ų | 143 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -75.2 | -16.3 | 176.6 | -88.7 | -38.2 | 0 | 0 | 0 | 114 | E15 | D13-E15 VanDerWaalsContact C-N 3.34Š|
| 14 | K | 53.5 | Low | 62.1 | Low | 187 Ų | 187 | 139.1 Ų | 139.1 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -83.3 | -9 | -177 | -129.2 | -179.5 | -178.4 | -178.6 | 0 | 114 | L11 Q12 | L11-K14 PolarHBondContact O-N 3.44Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 3.45Å |
| 15 | E | 55.2 | Low | 63.9 | Low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -112.6 | 32.9 | -179.3 | -67.3 | -147.8 | 145.6 | 0 | 0 | 113.9 | D13 K17 | D13-E15 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.25Å |
| 16 | K | 58.7 | Low | 65.6 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -68.5 | 89.3 | 156.4 | -77.2 | -179.8 | -177.9 | 163.7 | 0 | 107.6 | K18 | K16-K18 PolarHBondContact O-N 3.43Š| ||
| 17 | K | 60 | Low | 67.2 | Low | 194 Ų | 194 | 135.8 Ų | 135.8 | 84% | 0.843 | 64% | 0.636 | S | S | * | * | trans | -43 | 118.4 | 167.6 | -80 | -177 | 176 | 178.4 | 0 | 107.3 | E15 K19 | E15-K17 PolarHBondContact O-N 3.25Å; K17-K19 PolarHBondContact O-N 3.18Å; K17-K19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | K | 61.3 | Low | 69.2 | Low | 187 Ų | 187 | 131.7 Ų | 131.7 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | trans | -51 | 127.1 | 172 | -86.7 | -179 | 175.2 | 178.4 | 0 | 106.3 | K16 E20 | K16-K18 PolarHBondContact O-N 3.43Å; K18-E20 PolarHBondContact O-N 3.04Å | ||
| 19 | K | 64.6 | Low | 71 | Confident | 209 Ų | 209 | 128.9 Ų | 128.9 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | trans | -65.8 | 91.3 | 168.5 | -77.6 | -176.2 | 176.6 | -178.1 | 0 | 106.1 | K17 S21 | K17-K19 PolarHBondContact O-N 3.18Å; K17-K19 VanDerWaalsContact O-N 3.15Å; K19-S21 PolarHBondContact O-N 3.12Å | ||
| 20 | E | 63.3 | Low | 73 | Confident | 173 Ų | 173 | 125.6 Ų | 125.6 | 81% | 0.808 | 60% | 0.597 | S | S | * | * | trans | -65.4 | 130.4 | 173.9 | -69.2 | 178.9 | 178.9 | 0 | 0 | 107.6 | K18 I22 | K18-E20 PolarHBondContact O-N 3.04Å; E20-I22 PolarHBondContact O-N 3.34Å | ||
| 21 | S | 71.1 | Confident | 75 | Confident | 65 Ų | 65 | 123.4 Ų | 123.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | trans | -61.1 | 132.1 | 171.3 | 172.2 | 0 | 0 | 0 | 0 | 108 | K19 F23 | K19-S21 PolarHBondContact O-N 3.12Å; S21-F23 PolarHBondContact O-N 3.35Å; S21-F23 VanDerWaalsContact O-N 3.08Å; S21-F23 PolarHBondContact OG-N 2.89Å; S21-F23 VanDerWaalsContact OG-N 3.13Å; S21-F23 PolarHBondContact OG-O 3.34Å | ||
| 22 | I | 82.4 | Confident | 76.9 | Confident | 184 Ų | 184 | 120.7 Ų | 120.7 | 94% | 0.944 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -61.4 | -14.6 | 171.8 | 59.7 | 168.5 | 0 | 0 | 0 | 112.3 | E20 | E20-I22 PolarHBondContact O-N 3.34Š|
| 23 | F | 82.8 | Confident | 79.1 | Confident | 75 Ų | 75 | 114 Ų | 114 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -111.8 | 112.2 | -176.9 | -164.6 | -112.7 | 0 | 0 | 0 | 110.1 | S21 L25 Y28 I94 | S21-F23 PolarHBondContact O-N 3.35Å; S21-F23 VanDerWaalsContact O-N 3.08Å; S21-F23 PolarHBondContact OG-N 2.89Å; S21-F23 VanDerWaalsContact OG-N 3.13Å; S21-F23 PolarHBondContact OG-O 3.34Å; F23-L25 HydrophobicContact CD1-CD2 3.88Å; F23-L25 HydrophobicContact CD1-CG 3.87Å; F23-L25 HydrophobicContact CE1-CD2 3.47Å; F23-L25 VanDerWaalsContact CE1-CD2 3.47Å; F23-L25 HydrophobicContact CE1-CG 4.01Å; F23-L25 PolarHBondContact O-N 2.97Å; F23-Y28 HydrophobicContact CE1-CE2 4.35Å; F23-Y28 HydrophobicContact CE2-CE2 4.35Å; F23-Y28 HydrophobicContact CZ-CD2 4.46Å; F23-Y28 AromaticContact CZ-CE2 3.8Å; F23-Y28 HydrophobicContact CZ-CE2 3.8Å; F23-I94 HydrophobicContact CE1-CB 4.32Å; F23-I94 HydrophobicContact CE1-CG2 4.27Å |
| 24 | D | 89.4 | Confident | 81.1 | Confident | 70 Ų | 70 | 110.4 Ų | 110.4 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | trans | -89.7 | 98.7 | 178.4 | 178.8 | 18.7 | 0 | 0 | 0 | 110.7 | S26 K27 | D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.3Å; D24-S26 PolarHBondContact OD1-N 2.8Å; D24-S26 PolarHBondContact OD1-OG 3.17Å; D24-K27 VanDerWaalsContact OD2-CE 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.28Å | ||
| 25 | L | 92.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 101.5 Ų | 101.5 | 0% | 0 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -72.1 | -14.8 | 177.3 | -78.8 | 170.5 | 0 | 0 | 0 | 113.4 | F23 K27 Y28 L47 F50 L54 L56 I94 | F23-L25 HydrophobicContact CD1-CD2 3.88Å; F23-L25 HydrophobicContact CD1-CG 3.87Å; F23-L25 HydrophobicContact CE1-CD2 3.47Å; F23-L25 VanDerWaalsContact CE1-CD2 3.47Å; F23-L25 HydrophobicContact CE1-CG 4.01Å; F23-L25 PolarHBondContact O-N 2.97Å; L25-K27 PolarHBondContact O-N 3.18Å; L25-K27 VanDerWaalsContact O-N 3.15Å; L25-Y28 HydrophobicContact CD2-CD2 4.42Å; L25-Y28 PolarHBondContact O-N 2.84Å; L25-L47 HydrophobicContact CB-CD2 4.26Å; L25-L47 HydrophobicContact CD2-CD2 4.17Å; L25-F50 HydrophobicContact CB-CD1 3.53Å; L25-F50 HydrophobicContact CB-CD2 3.79Å; L25-F50 HydrophobicContact CB-CE1 3.5Å; L25-F50 HydrophobicContact CB-CE2 3.75Å; L25-F50 HydrophobicContact CB-CG 3.69Å; L25-F50 HydrophobicContact CB-CZ 3.62Å; L25-F50 HydrophobicContact CD1-CB 3.85Å; L25-F50 HydrophobicContact CD1-CD1 4.35Å; L25-F50 HydrophobicContact CD1-CD2 3.75Å; L25-F50 HydrophobicContact CD1-CE2 4.43Å; L25-F50 HydrophobicContact CD1-CG 3.71Å; L25-F50 HydrophobicContact CG-CD2 4.4Å; L25-F50 HydrophobicContact CG-CG 4.36Å; L25-L54 HydrophobicContact CD1-CD2 3.7Å; L25-L56 HydrophobicContact CD1-CD2 3.75Å; L25-I94 HydrophobicContact CD1-CD1 4.3Å; L25-I94 HydrophobicContact CD2-CD1 4.08Å; L25-I94 HydrophobicContact CD2-CG2 4.15Å |
| 26 | S | 94.5 | Very high | 85.1 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -59.8 | -30.8 | -179.3 | -39.8 | 0 | 0 | 0 | 0 | 111.7 | D24 Y28 I29 | D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.3Å; D24-S26 PolarHBondContact OD1-N 2.8Å; D24-S26 PolarHBondContact OD1-OG 3.17Å; S26-Y28 PolarHBondContact O-N 2.85Å; S26-I29 PolarHBondContact O-N 3.45Å |
| 27 | K | 93.9 | Very high | 86.9 | Confident | 137 Ų | 137 | 90.9 Ų | 90.9 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -65.9 | -15.8 | 177.2 | -61.9 | 176.7 | -176.8 | 175.8 | 0 | 114.1 | D24 L25 K31 | D24-K27 VanDerWaalsContact OD2-CE 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.28Å; L25-K27 PolarHBondContact O-N 3.18Å; L25-K27 VanDerWaalsContact O-N 3.15Å; K27-K31 PolarHBondContact O-NZ 3.46Å |
| 28 | Y | 95.9 | Very high | 88.6 | Confident | 53 Ų | 53 | 88.5 Ų | 88.5 | 21% | 0.208 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -112.6 | 3 | -176.7 | -55.7 | -72.1 | 0 | 0 | 0 | 113.2 | F23 L25 S26 D30 K31 I33 L47 P96 | F23-Y28 HydrophobicContact CE1-CE2 4.35Å; F23-Y28 HydrophobicContact CE2-CE2 4.35Å; F23-Y28 HydrophobicContact CZ-CD2 4.46Å; F23-Y28 AromaticContact CZ-CE2 3.8Å; F23-Y28 HydrophobicContact CZ-CE2 3.8Å; L25-Y28 HydrophobicContact CD2-CD2 4.42Å; L25-Y28 PolarHBondContact O-N 2.84Å; S26-Y28 PolarHBondContact O-N 2.85Å; Y28-D30 PolarHBondContact O-N 2.96Å; Y28-K31 WeakPolarHBondContact O-CB 3.49Å; Y28-K31 PolarHBondContact O-N 3.15Å; Y28-I33 HydrophobicContact CG-CG2 4.41Å; Y28-L47 WeakPolarHBondContact O-CB 3.24Å; Y28-P96 HydrophobicContact CD1-CB 4.08Å; Y28-P96 HydrophobicContact CE1-CB 3.72Å; Y28-P96 HydrophobicContact CE1-CG 3.98Å |
| 29 | I | 97.3 | Very high | 89.9 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 30% | 0.303 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 137.6 | 170.5 | -69.3 | -71.8 | 0 | 0 | 0 | 109.6 | S26 K31 L47 F50 | S26-I29 PolarHBondContact O-N 3.45Å; I29-K31 PolarHBondContact O-N 3.05Å; I29-K31 VanDerWaalsContact O-N 3.12Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 HydrophobicContact CD1-CG 4.16Å; I29-F50 HydrophobicContact CD1-CD1 4.11Å; I29-F50 HydrophobicContact CD1-CE1 4.2Å; I29-F50 HydrophobicContact CG1-CE1 4.35Å |
| 30 | D | 97.7 | Very high | 91.2 | Very high | 105 Ų | 105 | 73.8 Ų | 73.8 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.5 | -175.4 | -65.7 | -51.2 | 0 | 0 | 0 | 115 | Y28 L47 K48 | Y28-D30 PolarHBondContact O-N 2.96Å; D30-L47 PolarHBondContact N-O 3Å; D30-K48 IonicContact OD1-NZ 2.72Å; D30-K48 PolarHBondContact OD1-NZ 3.37Å |
| 31 | K | 97.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 70.7 Ų | 70.7 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -108.1 | 151.1 | 170.1 | -59.8 | -178 | -174.3 | 163.2 | 0 | 110.6 | K27 Y28 I29 I33 V46 L47 | K27-K31 PolarHBondContact O-NZ 3.46Å; Y28-K31 WeakPolarHBondContact O-CB 3.49Å; Y28-K31 PolarHBondContact O-N 3.15Å; I29-K31 PolarHBondContact O-N 3.05Å; I29-K31 VanDerWaalsContact O-N 3.12Å; K31-I33 PolarHBondContact O-N 3.42Å; K31-V46 WeakPolarHBondContact O-CA 3.49Å; K31-L47 PolarHBondContact O-N 3.47Å |
| 32 | T | 97.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 67.8 Ų | 67.8 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.2 | 172.4 | -47.2 | 0 | 0 | 0 | 0 | 109.8 | G45 Q97 | T32-G45 WeakPolarHBondContact CA-O 3.49Å; T32-Q97 HydrophobicContact CG2-CB 4.22Å; T32-Q97 WeakPolarHBondContact O-CB 3.41Å; T32-Q97 PolarHBondContact O-N 3.42Å; T32-Q97 VanDerWaalsContact O-N 3.1Å |
| 33 | I | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.3 | 173.3 | 61.6 | 169.3 | 0 | 0 | 0 | 109.4 | Y28 K31 V35 S44 G45 L47 L56 L58 I94 C95 | Y28-I33 HydrophobicContact CG-CG2 4.41Å; K31-I33 PolarHBondContact O-N 3.42Å; I33-V35 HydrophobicContact CD1-CG2 3.87Å; I33-V35 HydrophobicContact CG1-CG2 4.11Å; I33-S44 VanDerWaalsContact O-CA 3.26Å; I33-S44 WeakPolarHBondContact O-CA 3.31Å; I33-G45 PolarHBondContact N-O 2.95Å; I33-G45 PolarHBondContact O-N 2.78Å; I33-L47 HydrophobicContact CD1-CB 4Å; I33-L47 HydrophobicContact CD1-CD1 4Å; I33-L47 HydrophobicContact CD1-CD2 4.31Å; I33-L47 HydrophobicContact CD1-CG 4.32Å; I33-L47 HydrophobicContact CG1-CB 4.23Å; I33-L56 HydrophobicContact CD1-CD1 4.29Å; I33-L58 HydrophobicContact CD1-CD2 3.89Å; I33-L58 HydrophobicContact CG1-CD2 3.94Å; I33-I94 HydrophobicContact CB-CG2 4.42Å; I33-I94 HydrophobicContact CD1-CG2 3.85Å; I33-C95 CarbonylContact C-O 3.53Å; I33-C95 WeakPolarHBondContact CA-O 3.34Å; I33-C95 WeakPolarHBondContact CB-O 3.49Å |
| 34 | R | 96.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.6 | 170.8 | -170.9 | 168.4 | -144.1 | -131 | 6 | 109.2 | E42 A43 S44 Y64 C95 | R34-E42 WeakPolarHBondContact CD-OE1 3.42Å; R34-E42 HydrophobicContact CG-CG 3.99Å; R34-E42 VanDerWaalsContact CG-OE1 3.32Å; R34-E42 WeakPolarHBondContact CG-OE1 3.18Å; R34-E42 IonicContact CZ-OE1 2.99Å; R34-E42 IonicContact CZ-OE2 3.64Å; R34-E42 IonicContact NE-OE1 3.12Å; R34-E42 PolarHBondContact NE-OE1 3.46Å; R34-E42 VanDerWaalsContact NE-OE1 3.12Å; R34-E42 IonicContact NH1-OE1 2.67Å; R34-E42 PolarHBondContact NH1-OE1 2.86Å; R34-E42 IonicContact NH1-OE2 3.29Å; R34-E42 PolarHBondContact NH1-OE2 3.03Å; R34-E42 IonicContact NH2-OE1 3.87Å; R34-E42 IonicContact NH2-OE2 3.85Å; R34-A43 CarbonylContact C-O 3.51Å; R34-A43 WeakPolarHBondContact CA-O 3.37Å; R34-S44 WeakPolarHBondContact CB-OG 3.47Å; R34-S44 WeakPolarHBondContact CG-OG 3.4Å; R34-Y64 VanDerWaalsContact NE-CE2 3.33Å; R34-Y64 VanDerWaalsContact NH2-CD1 3.31Å; R34-Y64 VanDerWaalsContact NH2-CE2 3.3Å; R34-Y64 VanDerWaalsContact NH2-CG 3.26Å; R34-C95 PolarHBondContact N-O 3.45Å; R34-C95 PolarHBondContact O-N 2.95Å; R34-C95 PolarHBondContact O-SG 3.08Å |
| 35 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.6 | -172.1 | -172.9 | 0 | 0 | 0 | 0 | 109 | I33 F37 E42 A43 L56 L58 V91 L93 I94 | I33-V35 HydrophobicContact CD1-CG2 3.87Å; I33-V35 HydrophobicContact CG1-CG2 4.11Å; V35-F37 HydrophobicContact CB-CE2 4.26Å; V35-F37 HydrophobicContact CB-CZ 4.28Å; V35-F37 HydrophobicContact CG1-CE1 4.13Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 3.71Å; V35-E42 WeakPolarHBondContact O-CA 3.36Å; V35-A43 PolarHBondContact N-O 2.96Å; V35-A43 PolarHBondContact O-N 3.15Å; V35-L56 HydrophobicContact CG1-CD1 4.19Å; V35-L56 HydrophobicContact CG2-CD1 3.84Å; V35-L58 HydrophobicContact CG2-CD1 4.23Å; V35-V91 HydrophobicContact CG1-CG1 3.99Å; V35-V91 HydrophobicContact CG1-CG2 4.15Å; V35-L93 WeakPolarHBondContact CA-O 3.39Å; V35-I94 HydrophobicContact CG1-CG1 4.37Å; V35-I94 HydrophobicContact CG2-CG1 4.48Å |
| 36 | K | 96 | Very high | 95.9 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.9 | 170 | -65.6 | -175.7 | 171.6 | -174.7 | 0 | 109.9 | E42 V92 L93 | K36-E42 WeakPolarHBondContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE2 3.18Å; K36-E42 HydrophobicContact CG-CB 4.34Å; K36-E42 HydrophobicContact CG-CG 3.97Å; K36-E42 IonicContact NZ-OE2 3.82Å; K36-V92 VanDerWaalsContact C-CG2 3.49Å; K36-V92 HydrophobicContact CB-CG2 3.76Å; K36-V92 WeakPolarHBondContact O-CG2 3.32Å; K36-V92 PolarHBondContact O-N 3.14Å; K36-L93 HydrophobicContact CB-CB 4.19Å; K36-L93 HydrophobicContact CD-CD2 4.41Å; K36-L93 HydrophobicContact CG-CD2 4.39Å; K36-L93 PolarHBondContact N-O 2.81Å; K36-L93 PolarHBondContact O-N 3.11Å |
| 37 | F | 96.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 154.5 | 177.3 | -59.7 | -86.7 | 0 | 0 | 0 | 111.3 | V35 G39 G40 R41 A43 C86 S90 V91 | V35-F37 HydrophobicContact CB-CE2 4.26Å; V35-F37 HydrophobicContact CB-CZ 4.28Å; V35-F37 HydrophobicContact CG1-CE1 4.13Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 3.71Å; F37-G39 PolarHBondContact O-N 3.15Å; F37-G40 PolarHBondContact O-N 2.83Å; F37-R41 HydrophobicContact CB-CB 4.28Å; F37-R41 HydrophobicContact CD2-CB 4.22Å; F37-R41 PolarHBondContact N-O 2.85Å; F37-A43 HydrophobicContact CE2-CB 4.24Å; F37-C86 HydrophobicContact CE1-CB 3.84Å; F37-C86 HydrophobicContact CZ-CB 3.77Å; F37-S90 CarbonylContact C-O 3.58Å; F37-S90 WeakPolarHBondContact CA-O 3.3Å; F37-V91 HydrophobicContact CD1-CG2 4.2Å; F37-V91 HydrophobicContact CE1-CG2 3.82Å |
| 38 | Q | 94.5 | Very high | 96.3 | Very high | 145 Ų | 145 | 49 Ų | 49 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.2 | 166 | -170.3 | 179.3 | 21.5 | 0 | 0 | 109.3 | G40 S90 V92 | Q38-G40 VanDerWaalsContact C-N 3.34Å; Q38-S90 PolarHBondContact N-O 3Å; Q38-V92 HydrophobicContact CB-CG1 4.04Å |
| 39 | G | 89.8 | Confident | 96.4 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 54% | 0.536 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 14.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F37 R41 R66 | F37-G39 PolarHBondContact O-N 3.15Å; G39-R41 PolarHBondContact O-N 3.49Å; G39-R66 PolarHBondContact O-NH1 3.04Å; G39-R66 PolarHBondContact O-NH2 2.88Å |
| 40 | G | 91 | Very high | 96.4 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 92.2 | -11.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F37 Q38 R66 | F37-G40 PolarHBondContact O-N 2.83Å; Q38-G40 VanDerWaalsContact C-N 3.34Å; G40-R66 WeakPolarHBondContact O-CD 3.15Å |
| 41 | R | 93.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | trans | -60.5 | 142.5 | 178.7 | -63.1 | -177.7 | 73 | -142.1 | 9.5 | 110.9 | F37 G39 E63 | F37-R41 HydrophobicContact CB-CB 4.28Å; F37-R41 HydrophobicContact CD2-CB 4.22Å; F37-R41 PolarHBondContact N-O 2.85Å; G39-R41 PolarHBondContact O-N 3.49Å; R41-E63 IonicContact CZ-OE1 3.1Å; R41-E63 IonicContact NE-OE1 2.74Å; R41-E63 PolarHBondContact NE-OE1 2.82Å; R41-E63 IonicContact NH2-OE1 2.71Å; R41-E63 PolarHBondContact NH2-OE1 3.08Å; R41-E63 IonicContact NH2-OE2 2.94Å; R41-E63 PolarHBondContact NH2-OE2 3.18Å | ||
| 42 | E | 95.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.2 | 178.2 | -173.9 | 156.9 | -159.9 | 0 | 0 | 109.8 | R34 V35 K36 Y64 L74 | R34-E42 WeakPolarHBondContact CD-OE1 3.42Å; R34-E42 HydrophobicContact CG-CG 3.99Å; R34-E42 VanDerWaalsContact CG-OE1 3.32Å; R34-E42 WeakPolarHBondContact CG-OE1 3.18Å; R34-E42 IonicContact CZ-OE1 2.99Å; R34-E42 IonicContact CZ-OE2 3.64Å; R34-E42 IonicContact NE-OE1 3.12Å; R34-E42 PolarHBondContact NE-OE1 3.46Å; R34-E42 VanDerWaalsContact NE-OE1 3.12Å; R34-E42 IonicContact NH1-OE1 2.67Å; R34-E42 PolarHBondContact NH1-OE1 2.86Å; R34-E42 IonicContact NH1-OE2 3.29Å; R34-E42 PolarHBondContact NH1-OE2 3.03Å; R34-E42 IonicContact NH2-OE1 3.87Å; R34-E42 IonicContact NH2-OE2 3.85Å; V35-E42 WeakPolarHBondContact O-CA 3.36Å; K36-E42 WeakPolarHBondContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE2 3.18Å; K36-E42 HydrophobicContact CG-CB 4.34Å; K36-E42 HydrophobicContact CG-CG 3.97Å; K36-E42 IonicContact NZ-OE2 3.82Å; E42-Y64 HydrophobicContact CB-CD2 4.29Å; E42-Y64 HydrophobicContact CG-CD2 3.95Å; E42-Y64 PolarHBondContact O-N 3.12Å; E42-L74 HydrophobicContact CB-CD2 4.27Å; E42-L74 WeakPolarHBondContact OE2-CD1 3.39Å |
| 43 | A | 97 | Very high | 95.6 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | R34 V35 F37 T61 I62 | R34-A43 CarbonylContact C-O 3.51Å; R34-A43 WeakPolarHBondContact CA-O 3.37Å; V35-A43 PolarHBondContact N-O 2.96Å; V35-A43 PolarHBondContact O-N 3.15Å; F37-A43 HydrophobicContact CE2-CB 4.24Å; A43-T61 HydrophobicContact CB-CG2 4.02Å; A43-I62 CarbonylContact C-O 3.54Å; A43-I62 WeakPolarHBondContact CA-O 3.46Å; A43-I62 WeakPolarHBondContact CB-O 3.41Å |
| 44 | S | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.3 | 171.5 | -77.7 | 0 | 0 | 0 | 0 | 110.2 | I33 R34 T61 I62 Y64 Q97 | I33-S44 VanDerWaalsContact O-CA 3.26Å; I33-S44 WeakPolarHBondContact O-CA 3.31Å; R34-S44 WeakPolarHBondContact CB-OG 3.47Å; R34-S44 WeakPolarHBondContact CG-OG 3.4Å; S44-T61 CarbonylContact O-C 3.47Å; S44-T61 VanDerWaalsContact O-CA 3.3Å; S44-T61 WeakPolarHBondContact O-CA 3.14Å; S44-I62 PolarHBondContact N-O 3.5Å; S44-I62 PolarHBondContact O-N 2.94Å; S44-Y64 PolarHBondContact OG-OH 2.92Å; S44-Q97 PolarHBondContact OG-OE1 3.46Å |
| 45 | G | 98.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T32 I33 | T32-G45 WeakPolarHBondContact CA-O 3.49Å; I33-G45 PolarHBondContact N-O 2.95Å; I33-G45 PolarHBondContact O-N 2.78Å |
| 46 | V | 98.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 52 Ų | 52 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.5 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | K31 K48 L58 D59 | K31-V46 WeakPolarHBondContact O-CA 3.49Å; V46-K48 HydrophobicContact CG1-CD 4.14Å; V46-K48 PolarHBondContact O-N 3.07Å; V46-L58 WeakPolarHBondContact O-CA 3.48Å; V46-D59 PolarHBondContact N-O 2.84Å; V46-D59 PolarHBondContact O-N 2.82Å |
| 47 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 112.7 | 179.2 | -178.1 | 67.1 | 0 | 0 | 0 | 110.5 | L25 Y28 I29 D30 K31 I33 G49 F50 L56 L58 | L25-L47 HydrophobicContact CB-CD2 4.26Å; L25-L47 HydrophobicContact CD2-CD2 4.17Å; Y28-L47 WeakPolarHBondContact O-CB 3.24Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 HydrophobicContact CD1-CG 4.16Å; D30-L47 PolarHBondContact N-O 3Å; K31-L47 PolarHBondContact O-N 3.47Å; I33-L47 HydrophobicContact CD1-CB 4Å; I33-L47 HydrophobicContact CD1-CD1 4Å; I33-L47 HydrophobicContact CD1-CD2 4.31Å; I33-L47 HydrophobicContact CD1-CG 4.32Å; I33-L47 HydrophobicContact CG1-CB 4.23Å; L47-G49 WeakPolarHBondContact CD1-O 3.07Å; L47-F50 HydrophobicContact CD2-CD1 4.36Å; L47-L56 HydrophobicContact CD1-CB 4.17Å; L47-L56 HydrophobicContact CD1-CD2 4.22Å; L47-L58 HydrophobicContact CB-CD2 4.34Å; L47-L58 HydrophobicContact CD1-CD2 3.99Å |
| 48 | K | 98.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -22 | 177.9 | -63.6 | -50.4 | -166.7 | -174.8 | 0 | 113.7 | D30 V46 V57 D59 | D30-K48 IonicContact OD1-NZ 2.72Å; D30-K48 PolarHBondContact OD1-NZ 3.37Å; V46-K48 HydrophobicContact CG1-CD 4.14Å; V46-K48 PolarHBondContact O-N 3.07Å; K48-V57 HydrophobicContact CB-CB 4.36Å; K48-V57 HydrophobicContact CB-CG1 4.1Å; K48-V57 PolarHBondContact N-O 3.42Å; K48-D59 HydrophobicContact CD-CB 4.24Å; K48-D59 HydrophobicContact CG-CB 3.6Å |
| 49 | G | 97.9 | Very high | 96 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | 162.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L47 V57 | L47-G49 WeakPolarHBondContact CD1-O 3.07Å; G49-V57 PolarHBondContact O-N 2.96Å |
| 50 | F | 97.6 | Very high | 96.4 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.4 | 175.6 | 65.4 | -82.7 | 0 | 0 | 0 | 110.5 | L25 I29 L47 N55 L56 | L25-F50 HydrophobicContact CB-CD1 3.53Å; L25-F50 HydrophobicContact CB-CD2 3.79Å; L25-F50 HydrophobicContact CB-CE1 3.5Å; L25-F50 HydrophobicContact CB-CE2 3.75Å; L25-F50 HydrophobicContact CB-CG 3.69Å; L25-F50 HydrophobicContact CB-CZ 3.62Å; L25-F50 HydrophobicContact CD1-CB 3.85Å; L25-F50 HydrophobicContact CD1-CD1 4.35Å; L25-F50 HydrophobicContact CD1-CD2 3.75Å; L25-F50 HydrophobicContact CD1-CE2 4.43Å; L25-F50 HydrophobicContact CD1-CG 3.71Å; L25-F50 HydrophobicContact CG-CD2 4.4Å; L25-F50 HydrophobicContact CG-CG 4.36Å; I29-F50 HydrophobicContact CD1-CD1 4.11Å; I29-F50 HydrophobicContact CD1-CE1 4.2Å; I29-F50 HydrophobicContact CG1-CE1 4.35Å; L47-F50 HydrophobicContact CD2-CD1 4.36Å; F50-N55 WeakPolarHBondContact CA-O 3.42Å; F50-L56 HydrophobicContact CB-CD2 3.85Å |
| 51 | D | 94.5 | Very high | 96.7 | Very high | 52 Ų | 52 | 43 Ų | 43 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | trans | -125.5 | 173.7 | 173 | 75.5 | 12.3 | 0 | 0 | 0 | 111.9 | L53 L54 N55 | D51-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact O-N 3.14Å; D51-L53 WeakPolarHBondContact OD1-CA 3.35Å; D51-L53 WeakPolarHBondContact OD1-CB 3.42Å; D51-L53 PolarHBondContact OD1-N 3.37Å; D51-L54 PolarHBondContact O-N 3.26Å; D51-L54 PolarHBondContact OD1-N 3.15Å; D51-L54 VanDerWaalsContact OD1-N 3.15Å; D51-N55 PolarHBondContact N-O 2.77Å; D51-N55 PolarHBondContact OD1-N 3.1Å; D51-N55 PolarHBondContact OD1-ND2 2.98Å; D51-N55 WeakPolarHBondContact OD2-CB 3.45Å; D51-N55 PolarHBondContact OD2-ND2 3.14Å | ||
| 52 | P | 90.6 | Very high | 96.9 | Very high | 121 Ų | 121 | 40.2 Ų | 40.2 | 79% | 0.786 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.5 | 179 | -25.5 | 36.3 | 0 | 0 | 0 | 115.4 | L54 | P52-L54 VanDerWaalsContact C-N 3.27Š|
| 53 | L | 91.3 | Very high | 97 | Very high | 129 Ų | 129 | 40.9 Ų | 40.9 | 68% | 0.675 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 5 | 174.9 | -60 | -179 | 0 | 0 | 0 | 112 | D51 N55 G88 | D51-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact O-N 3.14Å; D51-L53 WeakPolarHBondContact OD1-CA 3.35Å; D51-L53 WeakPolarHBondContact OD1-CB 3.42Å; D51-L53 PolarHBondContact OD1-N 3.37Å; L53-N55 PolarHBondContact O-N 2.82Å; L53-G88 WeakPolarHBondContact O-CA 3.49Å |
| 54 | L | 94.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | 61.3 | 27.5 | -175.3 | -53.4 | 176.1 | 0 | 0 | 0 | 112.9 | L25 D51 P52 L56 G88 | L25-L54 HydrophobicContact CD1-CD2 3.7Å; D51-L54 PolarHBondContact O-N 3.26Å; D51-L54 PolarHBondContact OD1-N 3.15Å; D51-L54 VanDerWaalsContact OD1-N 3.15Å; P52-L54 VanDerWaalsContact C-N 3.27Å; L54-L56 WeakPolarHBondContact O-CG 3.41Å; L54-L56 PolarHBondContact O-N 3.19Å; L54-G88 VanDerWaalsContact C-CA 3.45Å; L54-G88 WeakPolarHBondContact O-CA 3.49Å | ||
| 55 | N | 96.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 46 Ų | 46 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | trans | -67.4 | 132.4 | 160.9 | -58.5 | -54.7 | 0 | 0 | 0 | 107.7 | F50 D51 L53 C86 G88 | F50-N55 WeakPolarHBondContact CA-O 3.42Å; D51-N55 PolarHBondContact N-O 2.77Å; D51-N55 PolarHBondContact OD1-N 3.1Å; D51-N55 PolarHBondContact OD1-ND2 2.98Å; D51-N55 WeakPolarHBondContact OD2-CB 3.45Å; D51-N55 PolarHBondContact OD2-ND2 3.14Å; L53-N55 PolarHBondContact O-N 2.82Å; N55-C86 CarbonylContact C-O 3.6Å; N55-C86 VanDerWaalsContact CA-O 3.24Å; N55-C86 WeakPolarHBondContact CA-O 3.34Å; N55-G88 PolarHBondContact OD1-N 3.04Å | ||
| 56 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.8 | -174.7 | -46 | 174.7 | 0 | 0 | 0 | 109.8 | L25 I33 V35 L47 F50 L54 L58 V85 C86 I94 | L25-L56 HydrophobicContact CD1-CD2 3.75Å; I33-L56 HydrophobicContact CD1-CD1 4.29Å; V35-L56 HydrophobicContact CG1-CD1 4.19Å; V35-L56 HydrophobicContact CG2-CD1 3.84Å; L47-L56 HydrophobicContact CD1-CB 4.17Å; L47-L56 HydrophobicContact CD1-CD2 4.22Å; F50-L56 HydrophobicContact CB-CD2 3.85Å; L54-L56 WeakPolarHBondContact O-CG 3.41Å; L54-L56 PolarHBondContact O-N 3.19Å; L56-L58 HydrophobicContact CB-CD2 4.36Å; L56-L58 HydrophobicContact CB-CG 4.45Å; L56-V85 CarbonylContact O-C 3.59Å; L56-V85 VanDerWaalsContact O-CA 3.31Å; L56-V85 WeakPolarHBondContact O-CA 3.27Å; L56-C86 HydrophobicContact CB-CB 4Å; L56-C86 HydrophobicContact CG-CB 4.43Å; L56-C86 PolarHBondContact N-O 3.42Å; L56-C86 PolarHBondContact O-N 3.13Å; L56-I94 HydrophobicContact CD1-CD1 3.94Å; L56-I94 HydrophobicContact CD1-CG1 4.33Å; L56-I94 HydrophobicContact CD2-CD1 4.26Å |
| 57 | V | 98.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 49 Ų | 49 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.3 | 166.8 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | K48 G49 L83 V84 | K48-V57 HydrophobicContact CB-CB 4.36Å; K48-V57 HydrophobicContact CB-CG1 4.1Å; K48-V57 PolarHBondContact N-O 3.42Å; G49-V57 PolarHBondContact O-N 2.96Å; V57-L83 HydrophobicContact CG1-CD1 3.79Å; V57-V84 WeakPolarHBondContact CA-O 2.99Å |
| 58 | L | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.4 | 179.4 | -58.6 | -175.1 | 0 | 0 | 0 | 110.1 | I33 V35 V46 L47 L56 T61 L83 V84 | I33-L58 HydrophobicContact CD1-CD2 3.89Å; I33-L58 HydrophobicContact CG1-CD2 3.94Å; V35-L58 HydrophobicContact CG2-CD1 4.23Å; V46-L58 WeakPolarHBondContact O-CA 3.48Å; L47-L58 HydrophobicContact CB-CD2 4.34Å; L47-L58 HydrophobicContact CD1-CD2 3.99Å; L56-L58 HydrophobicContact CB-CD2 4.36Å; L56-L58 HydrophobicContact CB-CG 4.45Å; L58-T61 WeakPolarHBondContact CB-OG1 3.26Å; L58-T61 HydrophobicContact CD1-CG2 4.43Å; L58-T61 PolarHBondContact O-OG1 2.78Å; L58-L83 CarbonylContact O-C 3.56Å; L58-L83 WeakPolarHBondContact O-CA 3.09Å; L58-V84 HydrophobicContact CB-CG2 4Å; L58-V84 PolarHBondContact N-O 2.95Å; L58-V84 PolarHBondContact O-N 3.37Å |
| 59 | D | 98.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 150.6 | 174.6 | -171.1 | 20.6 | 0 | 0 | 0 | 111 | V46 K48 T61 L83 | V46-D59 PolarHBondContact N-O 2.84Å; V46-D59 PolarHBondContact O-N 2.82Å; K48-D59 HydrophobicContact CD-CB 4.24Å; K48-D59 HydrophobicContact CG-CB 3.6Å; D59-T61 PolarHBondContact O-N 2.8Å; D59-L83 HydrophobicContact CB-CD1 4.09Å |
| 60 | G | 98.1 | Very high | 94 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 37.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G82 | G60-G82 PolarHBondContact N-O 3.33Å |
| 61 | T | 98.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.4 | -168.6 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | A43 S44 L58 D59 L81 G82 V84 | A43-T61 HydrophobicContact CB-CG2 4.02Å; S44-T61 CarbonylContact O-C 3.47Å; S44-T61 VanDerWaalsContact O-CA 3.3Å; S44-T61 WeakPolarHBondContact O-CA 3.14Å; L58-T61 WeakPolarHBondContact CB-OG1 3.26Å; L58-T61 HydrophobicContact CD1-CG2 4.43Å; L58-T61 PolarHBondContact O-OG1 2.78Å; D59-T61 PolarHBondContact O-N 2.8Å; T61-L81 HydrophobicContact CG2-CD1 4.45Å; T61-L81 PolarHBondContact O-N 2.67Å; T61-G82 VanDerWaalsContact CB-O 3.27Å; T61-G82 WeakPolarHBondContact CB-O 3.34Å; T61-G82 PolarHBondContact N-O 2.85Å; T61-G82 PolarHBondContact O-N 3.36Å; T61-G82 PolarHBondContact OG1-O 2.91Å; T61-V84 HydrophobicContact CG2-CG2 3.86Å; T61-V84 WeakPolarHBondContact OG1-CG2 3.18Å |
| 62 | I | 97.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.1 | 175 | -51.9 | -175.3 | 0 | 0 | 0 | 108.3 | A43 S44 T78 R79 | A43-I62 CarbonylContact C-O 3.54Å; A43-I62 WeakPolarHBondContact CA-O 3.46Å; A43-I62 WeakPolarHBondContact CB-O 3.41Å; S44-I62 PolarHBondContact N-O 3.5Å; S44-I62 PolarHBondContact O-N 2.94Å; I62-T78 HydrophobicContact CG2-CG2 3.95Å; I62-R79 WeakPolarHBondContact CA-O 3.15Å |
| 63 | E | 97.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136.7 | 167.2 | 170.4 | 175.7 | -149.8 | 0 | 0 | 110.1 | R41 M65 T78 R79 L81 | R41-E63 IonicContact CZ-OE1 3.1Å; R41-E63 IonicContact NE-OE1 2.74Å; R41-E63 PolarHBondContact NE-OE1 2.82Å; R41-E63 IonicContact NH2-OE1 2.71Å; R41-E63 PolarHBondContact NH2-OE1 3.08Å; R41-E63 IonicContact NH2-OE2 2.94Å; R41-E63 PolarHBondContact NH2-OE2 3.18Å; E63-M65 HydrophobicContact CG-SD 4.28Å; E63-T78 CarbonylContact O-C 3.43Å; E63-T78 VanDerWaalsContact O-CA 3.24Å; E63-T78 WeakPolarHBondContact O-CA 3.42Å; E63-R79 HydrophobicContact CB-CB 4.37Å; E63-R79 PolarHBondContact N-O 3.29Å; E63-R79 PolarHBondContact O-N 3.1Å; E63-L81 HydrophobicContact CB-CD1 3.91Å; E63-L81 HydrophobicContact CB-CG 4.43Å |
| 64 | Y | 95.2 | Very high | 91.5 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.6 | 171.1 | -59 | -89.5 | 0 | 0 | 0 | 109 | R34 E42 S44 T78 | R34-Y64 VanDerWaalsContact NE-CE2 3.33Å; R34-Y64 VanDerWaalsContact NH2-CD1 3.31Å; R34-Y64 VanDerWaalsContact NH2-CE2 3.3Å; R34-Y64 VanDerWaalsContact NH2-CG 3.26Å; E42-Y64 HydrophobicContact CB-CD2 4.29Å; E42-Y64 HydrophobicContact CG-CD2 3.95Å; E42-Y64 PolarHBondContact O-N 3.12Å; S44-Y64 PolarHBondContact OG-OH 2.92Å; Y64-T78 HydrophobicContact CD1-CG2 3.8Å; Y64-T78 HydrophobicContact CE1-CG2 4.09Å |
| 65 | M | 93.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 35% | 0.345 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 157.4 | -178.7 | -56.8 | -59 | -69.1 | 0 | 0 | 110.3 | E63 L74 T75 D77 R79 | E63-M65 HydrophobicContact CG-SD 4.28Å; M65-L74 WeakPolarHBondContact O-CA 3.39Å; M65-T75 WeakPolarHBondContact CB-OG1 3.37Å; M65-T75 PolarHBondContact O-N 3.44Å; M65-T75 PolarHBondContact O-OG1 2.89Å; M65-D77 HydrophobicContact CB-CB 3.93Å; M65-D77 WeakPolarHBondContact CB-O 3.36Å; M65-D77 HydrophobicContact CG-CB 3.92Å; M65-D77 WeakPolarHBondContact CG-O 3.31Å; M65-D77 PolarHBondContact N-O 2.76Å; M65-R79 HydrophobicContact SD-CB 4.08Å |
| 66 | R | 90.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 71.3 Ų | 71.3 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152.2 | -178 | -67.5 | -173.7 | -69.5 | 149.7 | -1.9 | 110.4 | G39 G40 Q71 K73 L74 | G39-R66 PolarHBondContact O-NH1 3.04Å; G39-R66 PolarHBondContact O-NH2 2.88Å; G40-R66 WeakPolarHBondContact O-CD 3.15Å; R66-Q71 WeakPolarHBondContact CD-O 3.32Å; R66-Q71 PolarHBondContact NH1-O 3.28Å; R66-K73 WeakPolarHBondContact CA-O 3.24Å; R66-L74 HydrophobicContact CG-CD2 4.11Å |
| 67 | D | 87.9 | Confident | 90.3 | Very high | 37 Ų | 37 | 76.7 Ų | 76.7 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | trans | -64.4 | 127.9 | 175.4 | -165 | -47 | 0 | 0 | 0 | 108.9 | D69 D70 K73 T75 | D67-D69 PolarHBondContact O-N 3.38Å; D67-D69 PolarHBondContact OD1-N 2.94Å; D67-D70 HydrophobicContact CB-CB 4.39Å; D67-D70 WeakPolarHBondContact CB-O 3.33Å; D67-D70 CarbonylContact O-C 3.33Å; D67-D70 PolarHBondContact O-N 2.85Å; D67-D70 PolarHBondContact OD1-N 2.94Å; D67-K73 HydrophobicContact CB-CB 4.2Å; D67-K73 PolarHBondContact N-O 3.4Å; D67-T75 HydrophobicContact CB-CG2 4.13Å | ||
| 68 | P | 84.4 | Confident | 90.1 | Very high | 115 Ų | 115 | 78 Ų | 78 | 75% | 0.747 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -59.7 | -31.6 | 177 | -21.9 | 32.7 | 0 | 0 | 0 | 112.9 | ||
| 69 | D | 87.7 | Confident | 90 | Very high | 160 Ų | 160 | 85 Ų | 85 | 86% | 0.856 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -91.7 | -26.1 | -175.5 | -61.2 | -41.2 | 0 | 0 | 0 | 111.8 | D67 | D67-D69 PolarHBondContact O-N 3.38Å; D67-D69 PolarHBondContact OD1-N 2.94Å |
| 70 | D | 84.6 | Confident | 90 | Very high | 74 Ų | 74 | 87.8 Ų | 87.8 | 40% | 0.396 | 45% | 0.447 | S | S | . | . | trans | -132.6 | 95.3 | 174.5 | -173.3 | -5.1 | 0 | 0 | 0 | 112.5 | D67 L72 K73 | D67-D70 HydrophobicContact CB-CB 4.39Å; D67-D70 WeakPolarHBondContact CB-O 3.33Å; D67-D70 CarbonylContact O-C 3.33Å; D67-D70 PolarHBondContact O-N 2.85Å; D67-D70 PolarHBondContact OD1-N 2.94Å; D70-L72 PolarHBondContact O-N 2.71Å; D70-L72 WeakPolarHBondContact OD1-CB 3.35Å; D70-L72 PolarHBondContact OD1-N 2.74Å; D70-K73 HydrophobicContact CB-CB 4.15Å; D70-K73 PolarHBondContact O-N 3.03Å | ||
| 71 | Q | 77.1 | Confident | 90 | Very high | 124 Ų | 124 | 88.7 Ų | 88.7 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.4 | -178.8 | -70.5 | -168.8 | 47.1 | 0 | 0 | 115.3 | R66 | R66-Q71 WeakPolarHBondContact CD-O 3.32Å; R66-Q71 PolarHBondContact NH1-O 3.28Å |
| 72 | L | 77.4 | Confident | 90 | Very high | 167 Ų | 167 | 90 Ų | 90 | 87% | 0.874 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -13.2 | 175.2 | -59.8 | 177.8 | 0 | 0 | 0 | 112.4 | D70 | D70-L72 PolarHBondContact O-N 2.71Å; D70-L72 WeakPolarHBondContact OD1-CB 3.35Å; D70-L72 PolarHBondContact OD1-N 2.74Å |
| 73 | K | 82.8 | Confident | 90 | Very high | 119 Ų | 119 | 93.5 Ų | 93.5 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -99.9 | 126.5 | -178.5 | -168.2 | -179.3 | 174.4 | -165 | 0 | 110.7 | R66 D67 D70 | R66-K73 WeakPolarHBondContact CA-O 3.24Å; D67-K73 HydrophobicContact CB-CB 4.2Å; D67-K73 PolarHBondContact N-O 3.4Å; D70-K73 HydrophobicContact CB-CB 4.15Å; D70-K73 PolarHBondContact O-N 3.03Å |
| 74 | L | 83.5 | Confident | 90 | Very high | 61 Ų | 61 | 94.1 Ų | 94.1 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 141.7 | 167.1 | -63.9 | 175.5 | 0 | 0 | 0 | 109.4 | E42 M65 R66 | E42-L74 HydrophobicContact CB-CD2 4.27Å; E42-L74 WeakPolarHBondContact OE2-CD1 3.39Å; M65-L74 WeakPolarHBondContact O-CA 3.39Å; R66-L74 HydrophobicContact CG-CD2 4.11Å |
| 75 | T | 86.3 | Confident | 90.2 | Very high | 39 Ų | 39 | 97.1 Ų | 97.1 | 24% | 0.239 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 171.9 | 165.2 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | M65 D67 D77 | M65-T75 WeakPolarHBondContact CB-OG1 3.37Å; M65-T75 PolarHBondContact O-N 3.44Å; M65-T75 PolarHBondContact O-OG1 2.89Å; D67-T75 HydrophobicContact CB-CG2 4.13Å; T75-D77 PolarHBondContact O-N 2.83Å; T75-D77 PolarHBondContact OG1-N 3.1Å |
| 76 | E | 86.4 | Confident | 90.4 | Very high | 193 Ų | 193 | 94.2 Ų | 94.2 | 90% | 0.902 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -11.7 | 171.2 | -61.6 | -171.2 | 167.7 | 0 | 0 | 112.2 | ||
| 77 | D | 90.8 | Very high | 90.7 | Very high | 112 Ų | 112 | 99.2 Ų | 99.2 | 60% | 0.599 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.2 | -179.2 | -64.4 | -36.7 | 0 | 0 | 0 | 111.1 | M65 T75 | M65-D77 HydrophobicContact CB-CB 3.93Å; M65-D77 WeakPolarHBondContact CB-O 3.36Å; M65-D77 HydrophobicContact CG-CB 3.92Å; M65-D77 WeakPolarHBondContact CG-O 3.31Å; M65-D77 PolarHBondContact N-O 2.76Å; T75-D77 PolarHBondContact O-N 2.83Å; T75-D77 PolarHBondContact OG1-N 3.1Å |
| 78 | T | 95.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.7 | 176.7 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | I62 E63 Y64 | I62-T78 HydrophobicContact CG2-CG2 3.95Å; E63-T78 CarbonylContact O-C 3.43Å; E63-T78 VanDerWaalsContact O-CA 3.24Å; E63-T78 WeakPolarHBondContact O-CA 3.42Å; Y64-T78 HydrophobicContact CD1-CG2 3.8Å; Y64-T78 HydrophobicContact CE1-CG2 4.09Å |
| 79 | R | 96.8 | Very high | 91.7 | Very high | 146 Ų | 146 | 97.1 Ų | 97.1 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.6 | 178.5 | -176.5 | -178.4 | -176.6 | -175.4 | 4.2 | 110.7 | I62 E63 M65 L81 | I62-R79 WeakPolarHBondContact CA-O 3.15Å; E63-R79 HydrophobicContact CB-CB 4.37Å; E63-R79 PolarHBondContact N-O 3.29Å; E63-R79 PolarHBondContact O-N 3.1Å; M65-R79 HydrophobicContact SD-CB 4.08Å; R79-L81 HydrophobicContact CG-CD2 4.09Å |
| 80 | Q | 97.8 | Very high | 92.1 | Very high | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.5 | 172.9 | -65.3 | -65.3 | -25.7 | 0 | 0 | 110.6 | ||
| 81 | L | 97.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -17.9 | 179.2 | -58.9 | 178.7 | 0 | 0 | 0 | 113 | T61 E63 R79 V84 | T61-L81 HydrophobicContact CG2-CD1 4.45Å; T61-L81 PolarHBondContact O-N 2.67Å; E63-L81 HydrophobicContact CB-CD1 3.91Å; E63-L81 HydrophobicContact CB-CG 4.43Å; R79-L81 HydrophobicContact CG-CD2 4.09Å; L81-V84 HydrophobicContact CB-CG1 3.64Å; L81-V84 HydrophobicContact CD1-CG1 4.43Å |
| 82 | G | 98.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 87.9 Ų | 87.9 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.3 | -131.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G60 T61 | G60-G82 PolarHBondContact N-O 3.33Å; T61-G82 VanDerWaalsContact CB-O 3.27Å; T61-G82 WeakPolarHBondContact CB-O 3.34Å; T61-G82 PolarHBondContact N-O 2.85Å; T61-G82 PolarHBondContact O-N 3.36Å; T61-G82 PolarHBondContact OG1-O 2.91Å |
| 83 | L | 98.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 83.8 Ų | 83.8 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119.9 | 178.8 | -177.3 | 66.8 | 0 | 0 | 0 | 110.7 | V57 L58 D59 | V57-L83 HydrophobicContact CG1-CD1 3.79Å; L58-L83 CarbonylContact O-C 3.56Å; L58-L83 WeakPolarHBondContact O-CA 3.09Å; D59-L83 HydrophobicContact CB-CD1 4.09Å |
| 84 | V | 98.3 | Very high | 95 | Very high | 32 Ų | 32 | 79.5 Ų | 79.5 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157 | -178.2 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | V57 L58 T61 L81 | V57-V84 WeakPolarHBondContact CA-O 2.99Å; L58-V84 HydrophobicContact CB-CG2 4Å; L58-V84 PolarHBondContact N-O 2.95Å; L58-V84 PolarHBondContact O-N 3.37Å; T61-V84 HydrophobicContact CG2-CG2 3.86Å; T61-V84 WeakPolarHBondContact OG1-CG2 3.18Å; L81-V84 HydrophobicContact CB-CG1 3.64Å; L81-V84 HydrophobicContact CD1-CG1 4.43Å |
| 85 | V | 98.1 | Very high | 95.5 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 67% | 0.667 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.8 | 166.5 | -177.8 | 0 | 0 | 0 | 0 | 109 | L56 | L56-V85 CarbonylContact O-C 3.59Å; L56-V85 VanDerWaalsContact O-CA 3.31Å; L56-V85 WeakPolarHBondContact O-CA 3.27Å |
| 86 | C | 97.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 78 Ų | 78 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.3 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | F37 N55 L56 G88 | F37-C86 HydrophobicContact CE1-CB 3.84Å; F37-C86 HydrophobicContact CZ-CB 3.77Å; N55-C86 CarbonylContact C-O 3.6Å; N55-C86 VanDerWaalsContact CA-O 3.24Å; N55-C86 WeakPolarHBondContact CA-O 3.34Å; L56-C86 HydrophobicContact CB-CB 4Å; L56-C86 HydrophobicContact CG-CB 4.43Å; L56-C86 PolarHBondContact N-O 3.42Å; L56-C86 PolarHBondContact O-N 3.13Å; C86-G88 PolarHBondContact O-N 2.73Å |
| 87 | R | 97.8 | Very high | 95.9 | Very high | 171 Ų | 171 | 72.7 Ų | 72.7 | 65% | 0.645 | 39% | 0.389 | S | S | * | . | trans | -83.1 | 117.3 | 179.3 | -166.7 | -174.8 | 175.5 | 108.5 | -0.9 | 110.7 | T89 S90 | R87-T89 VanDerWaalsContact CD-OG1 3.31Å; R87-T89 WeakPolarHBondContact CD-OG1 3.44Å; R87-T89 WeakPolarHBondContact CG-OG1 3.47Å; R87-T89 PolarHBondContact NE-OG1 3.46Å; R87-T89 PolarHBondContact O-N 2.99Å; R87-S90 PolarHBondContact O-N 2.88Å; R87-S90 VanDerWaalsContact O-N 3.08Å | ||
| 88 | G | 96.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 74.6 Ų | 74.6 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L53 L54 N55 C86 S90 V91 | L53-G88 WeakPolarHBondContact O-CA 3.49Å; L54-G88 VanDerWaalsContact C-CA 3.45Å; L54-G88 WeakPolarHBondContact O-CA 3.49Å; N55-G88 PolarHBondContact OD1-N 3.04Å; C86-G88 PolarHBondContact O-N 2.73Å; G88-S90 PolarHBondContact O-N 3.42Å; G88-S90 VanDerWaalsContact O-N 3.1Å; G88-V91 PolarHBondContact O-N 3.32Å; G88-V91 VanDerWaalsContact O-N 3.1Å |
| 89 | T | 96.6 | Very high | 95 | Very high | 99 Ų | 99 | 74.8 Ų | 74.8 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -61.1 | -22.4 | 176.5 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | R87 | R87-T89 VanDerWaalsContact CD-OG1 3.31Å; R87-T89 WeakPolarHBondContact CD-OG1 3.44Å; R87-T89 WeakPolarHBondContact CG-OG1 3.47Å; R87-T89 PolarHBondContact NE-OG1 3.46Å; R87-T89 PolarHBondContact O-N 2.99Å |
| 90 | S | 96.5 | Very high | 94.4 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -105.8 | -1.9 | -179.2 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | F37 Q38 R87 G88 | F37-S90 CarbonylContact C-O 3.58Å; F37-S90 WeakPolarHBondContact CA-O 3.3Å; Q38-S90 PolarHBondContact N-O 3Å; R87-S90 PolarHBondContact O-N 2.88Å; R87-S90 VanDerWaalsContact O-N 3.08Å; G88-S90 PolarHBondContact O-N 3.42Å; G88-S90 VanDerWaalsContact O-N 3.1Å |
| 91 | V | 96.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 16% | 0.164 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | V35 F37 G88 I94 | V35-V91 HydrophobicContact CG1-CG1 3.99Å; V35-V91 HydrophobicContact CG1-CG2 4.15Å; F37-V91 HydrophobicContact CD1-CG2 4.2Å; F37-V91 HydrophobicContact CE1-CG2 3.82Å; G88-V91 PolarHBondContact O-N 3.32Å; G88-V91 VanDerWaalsContact O-N 3.1Å; V91-I94 HydrophobicContact CG1-CD1 4.01Å; V91-I94 HydrophobicContact CG1-CG1 3.68Å |
| 92 | V | 96 | Very high | 93.1 | Very high | 96 Ų | 96 | 76 Ų | 76 | 58% | 0.582 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -29.5 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | K36 Q38 | K36-V92 VanDerWaalsContact C-CG2 3.49Å; K36-V92 HydrophobicContact CB-CG2 3.76Å; K36-V92 WeakPolarHBondContact O-CG2 3.32Å; K36-V92 PolarHBondContact O-N 3.14Å; Q38-V92 HydrophobicContact CB-CG1 4.04Å |
| 93 | L | 94.4 | Very high | 92.7 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140 | 179.3 | -179.6 | 133.1 | 0 | 0 | 0 | 110.4 | V35 K36 C95 | V35-L93 WeakPolarHBondContact CA-O 3.39Å; K36-L93 HydrophobicContact CB-CB 4.19Å; K36-L93 HydrophobicContact CD-CD2 4.41Å; K36-L93 HydrophobicContact CG-CD2 4.39Å; K36-L93 PolarHBondContact N-O 2.81Å; K36-L93 PolarHBondContact O-N 3.11Å; L93-C95 HydrophobicContact CD2-CB 4.09Å |
| 94 | I | 95.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 80 Ų | 80 | 15% | 0.154 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.8 | 169.6 | -57.9 | 172.2 | 0 | 0 | 0 | 106.8 | F23 L25 I33 V35 L56 V91 | F23-I94 HydrophobicContact CE1-CB 4.32Å; F23-I94 HydrophobicContact CE1-CG2 4.27Å; L25-I94 HydrophobicContact CD1-CD1 4.3Å; L25-I94 HydrophobicContact CD2-CD1 4.08Å; L25-I94 HydrophobicContact CD2-CG2 4.15Å; I33-I94 HydrophobicContact CB-CG2 4.42Å; I33-I94 HydrophobicContact CD1-CG2 3.85Å; V35-I94 HydrophobicContact CG1-CG1 4.37Å; V35-I94 HydrophobicContact CG2-CG1 4.48Å; L56-I94 HydrophobicContact CD1-CD1 3.94Å; L56-I94 HydrophobicContact CD1-CG1 4.33Å; L56-I94 HydrophobicContact CD2-CD1 4.26Å; V91-I94 HydrophobicContact CG1-CD1 4.01Å; V91-I94 HydrophobicContact CG1-CG1 3.68Å |
| 95 | C | 93.7 | Very high | 91.6 | Very high | 17 Ų | 17 | 82.7 Ų | 82.7 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.4 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | I33 R34 L93 M100 | I33-C95 CarbonylContact C-O 3.53Å; I33-C95 WeakPolarHBondContact CA-O 3.34Å; I33-C95 WeakPolarHBondContact CB-O 3.49Å; R34-C95 PolarHBondContact N-O 3.45Å; R34-C95 PolarHBondContact O-N 2.95Å; R34-C95 PolarHBondContact O-SG 3.08Å; L93-C95 HydrophobicContact CD2-CB 4.09Å; C95-M100 HydrophobicContact CB-CE 4.21Å; C95-M100 WeakPolarHBondContact SG-CE 3.47Å |
| 96 | P | 93.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 81.8 Ų | 81.8 | 33% | 0.325 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 140.9 | 166.5 | 26.9 | -31.6 | 0 | 0 | 0 | 109 | Y28 D98 | Y28-P96 HydrophobicContact CD1-CB 4.08Å; Y28-P96 HydrophobicContact CE1-CB 3.72Å; Y28-P96 HydrophobicContact CE1-CG 3.98Å; P96-D98 VanDerWaalsContact C-N 3.31Å |
| 97 | Q | 87.1 | Confident | 90.6 | Very high | 82 Ų | 82 | 89.8 Ų | 89.8 | 38% | 0.383 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -75.6 | -27.5 | 174.1 | -170.8 | 168.5 | -49.9 | 0 | 0 | 111.5 | T32 S44 G99 M100 | T32-Q97 HydrophobicContact CG2-CB 4.22Å; T32-Q97 WeakPolarHBondContact O-CB 3.41Å; T32-Q97 PolarHBondContact O-N 3.42Å; T32-Q97 VanDerWaalsContact O-N 3.1Å; S44-Q97 PolarHBondContact OG-OE1 3.46Å; Q97-G99 PolarHBondContact O-N 3.43Å; Q97-M100 PolarHBondContact O-N 2.9Å |
| 98 | D | 86.3 | Confident | 89.9 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 81% | 0.813 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 126.8 | 176 | -168.7 | 21.4 | 0 | 0 | 0 | 110.9 | P96 M100 | P96-D98 VanDerWaalsContact C-N 3.31Å; D98-M100 VanDerWaalsContact C-N 3.32Å |
| 99 | G | 82 | Confident | 88.9 | Confident | 81 Ų | 81 | 94.5 Ų | 94.5 | 84% | 0.835 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 4.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q97 | Q97-G99 PolarHBondContact O-N 3.43Š|
| 100 | M | 83.9 | Confident | 87.4 | Confident | 96 Ų | 96 | 98 Ų | 98 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | trans | -88.3 | 120.4 | 171.3 | 178.8 | 179.1 | -96.2 | 0 | 0 | 110.3 | C95 Q97 D98 | C95-M100 HydrophobicContact CB-CE 4.21Å; C95-M100 WeakPolarHBondContact SG-CE 3.47Å; Q97-M100 PolarHBondContact O-N 2.9Å; D98-M100 VanDerWaalsContact C-N 3.32Å | ||
| 101 | E | 86.1 | Confident | 85.5 | Confident | 163 Ų | 163 | 104.2 Ų | 104.2 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | trans | -131.6 | 139.5 | 174.1 | -174.3 | 174.4 | -173 | 0 | 0 | 110.3 | I103 | E101-I103 PolarHBondContact O-N 3.33Š| ||
| 102 | A | 83.2 | Confident | 83.5 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 83% | 0.826 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 103 | I | 88.2 | Confident | 81.2 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 61% | 0.605 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 151.3 | 178 | 61.9 | 170 | 0 | 0 | 0 | 110.8 | E101 | E101-I103 PolarHBondContact O-N 3.33Š|
| 104 | P | 87.4 | Confident | 80.5 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 74% | 0.74 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 157.5 | 166.5 | 28 | -34.9 | 0 | 0 | 0 | 110.1 | P106 | P104-P106 VanDerWaalsContact O-CD 3.27Å; P104-P106 WeakPolarHBondContact O-CD 3.39Å |
| 105 | N | 87.3 | Confident | 79.7 | Confident | 89 Ų | 89 | 118.5 Ų | 118.5 | 48% | 0.476 | 69% | 0.685 | S | S | . | * | trans | -56.5 | 114.8 | 178 | 177.2 | -8.5 | 0 | 0 | 0 | 110.1 | F107 I108 | N105-F107 PolarHBondContact O-N 3.27Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CB 3.42Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.4Å; N105-F107 PolarHBondContact OD1-N 2.99Å; N105-I108 HydrophobicContact CB-CD1 3.74Å; N105-I108 HydrophobicContact CB-CG1 3.87Å; N105-I108 PolarHBondContact O-N 2.94Å | ||
| 106 | P | 88.5 | Confident | 78.9 | Confident | 92 Ų | 92 | 124.1 Ų | 124.1 | 60% | 0.597 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -6 | -172.5 | 31 | -36.4 | 0 | 0 | 0 | 113.4 | P104 | P104-P106 VanDerWaalsContact O-CD 3.27Å; P104-P106 WeakPolarHBondContact O-CD 3.39Å |
| 107 | F | 85.5 | Confident | 78.1 | Confident | 177 Ų | 177 | 128.5 Ų | 128.5 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -2.7 | -179.8 | -55.3 | -72.2 | 0 | 0 | 0 | 113.5 | N105 Q109 | N105-F107 PolarHBondContact O-N 3.27Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CB 3.42Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.4Å; N105-F107 PolarHBondContact OD1-N 2.99Å; F107-Q109 PolarHBondContact O-N 2.98Å; F107-Q109 VanDerWaalsContact O-N 3.14Å |
| 108 | I | 84.3 | Confident | 77.5 | Confident | 117 Ų | 117 | 131.4 Ų | 131.4 | 60% | 0.6 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -75.9 | 103.6 | 170.5 | -56.3 | 176 | 0 | 0 | 0 | 106.5 | N105 Q110 | N105-I108 HydrophobicContact CB-CD1 3.74Å; N105-I108 HydrophobicContact CB-CG1 3.87Å; N105-I108 PolarHBondContact O-N 2.94Å; I108-Q110 PolarHBondContact O-N 3.33Å; I108-Q110 VanDerWaalsContact O-N 3.11Å |
| 109 | Q | 73.6 | Confident | 76.9 | Confident | 163 Ų | 163 | 130 Ų | 130 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -58 | 117.5 | 170 | -73.2 | 176.5 | -5.3 | 0 | 0 | 107.7 | F107 H111 | F107-Q109 PolarHBondContact O-N 2.98Å; F107-Q109 VanDerWaalsContact O-N 3.14Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 2.89Å | ||
| 110 | Q | 65.6 | Low | 76.6 | Confident | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -61.6 | 100 | 167.2 | -69.2 | 178.2 | -3 | 0 | 0 | 106.1 | I108 D112 | I108-Q110 PolarHBondContact O-N 3.33Å; I108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-D112 PolarHBondContact O-N 2.97Å | ||
| 111 | H | 57.4 | Low | 76 | Confident | 171 Ų | 171 | 136.4 Ų | 136.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 96.2 | 164 | -94.4 | 84.1 | 0 | 0 | 0 | 105.6 | Q109 G113 | Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 2.89Å; H111-G113 PolarHBondContact O-N 3.14Å | ||
| 112 | D | 54.3 | Low | 75.2 | Confident | 145 Ų | 145 | 134.2 Ų | 134.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -56.5 | 124.6 | 161.8 | -72.6 | -36 | 0 | 0 | 0 | 107.4 | Q110 | Q110-D112 PolarHBondContact O-N 2.97Š| ||
| 113 | G | 46.6 | Very low | 74.4 | Confident | 151 Ų | 151 | 137.3 Ų | 137.3 | 100% | 1.557 | 77% | 0.772 | S | S | * | * | trans | -70 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H111 | H111-G113 PolarHBondContact O-N 3.14Š|
Retrieved 113 of 113 residues in 18.8 ms
(Link to these results)