| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 52.7 | Low | 234 Ų | 234 | 107.1 Ų | 107.1 | 100% | 1.153 | 62% | 0.617 | S | S | * | * | 0 | 110.5 | 0 | -78.6 | 161.9 | 169.5 | 0 | 0 | 104.3 | D3 | M1-D3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 35.6 | Very low | 55 | Low | 116 Ų | 116 | 106.8 Ų | 106.8 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | trans | -75.3 | 108.9 | -176.7 | 46.5 | 0 | 0 | 0 | 0 | 108.1 | V4 | S2-V4 PolarHBondContact O-N 3.43Å; S2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | D | 36.7 | Very low | 57.6 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | trans | -60.2 | 110.4 | 166.9 | -62.8 | -45.9 | 0 | 0 | 0 | 107.5 | M1 E5 | M1-D3 PolarHBondContact O-N 3.36Å; D3-E5 PolarHBondContact O-N 2.93Å | ||
| 4 | V | 44.4 | Very low | 59.9 | Low | 131 Ų | 131 | 99.4 Ų | 99.4 | 79% | 0.794 | 58% | 0.579 | S | S | * | * | trans | -71.3 | 91.4 | 164.4 | 177.8 | 0 | 0 | 0 | 0 | 104.5 | S2 A6 | S2-V4 PolarHBondContact O-N 3.43Å; S2-V4 VanDerWaalsContact O-N 3.14Å; V4-A6 PolarHBondContact O-N 3.35Å | ||
| 5 | E | 38.4 | Very low | 61.8 | Low | 180 Ų | 180 | 94.9 Ų | 94.9 | 84% | 0.841 | 56% | 0.555 | S | S | * | * | trans | -58.6 | 103.4 | 168.2 | -75.2 | -172.4 | 144.5 | 0 | 0 | 107 | D3 S7 | D3-E5 PolarHBondContact O-N 2.93Å; E5-S7 PolarHBondContact O-N 2.9Å | ||
| 6 | A | 50.6 | Low | 63.2 | Low | 30 Ų | 30 | 102 Ų | 102 | 25% | 0.248 | 57% | 0.569 | C | S | . | * | trans | -54.5 | 107.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | V4 F8 Y67 | V4-A6 PolarHBondContact O-N 3.35Å; A6-F8 HydrophobicContact CB-CE1 4.06Å; A6-F8 HydrophobicContact CB-CE2 4.09Å; A6-F8 HydrophobicContact CB-CZ 3.73Å; A6-F8 VanDerWaalsContact O-CD2 3.31Å; A6-F8 WeakPolarHBondContact O-CD2 3.42Å; A6-F8 PolarHBondContact O-N 3.46Å; A6-Y67 HydrophobicContact CB-CD2 4.39Å; A6-Y67 HydrophobicContact CB-CE2 3.86Å | ||
| 7 | S | 54.4 | Low | 64.3 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | trans | -76.3 | 95.2 | -176.4 | 65.9 | 0 | 0 | 0 | 0 | 108.9 | E5 A9 | E5-S7 PolarHBondContact O-N 2.9Å; S7-A9 PolarHBondContact O-N 2.79Å | ||
| 8 | F | 63.1 | Low | 65.6 | Low | 111 Ų | 111 | 102.2 Ų | 102.2 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | trans | -76.4 | 104.2 | 174.6 | -58.5 | -60.2 | 0 | 0 | 0 | 109.5 | A6 Y65 Y67 P95 | A6-F8 HydrophobicContact CB-CE1 4.06Å; A6-F8 HydrophobicContact CB-CE2 4.09Å; A6-F8 HydrophobicContact CB-CZ 3.73Å; A6-F8 VanDerWaalsContact O-CD2 3.31Å; A6-F8 WeakPolarHBondContact O-CD2 3.42Å; A6-F8 PolarHBondContact O-N 3.46Å; F8-Y65 HydrophobicContact CB-CG 4.49Å; F8-Y65 HydrophobicContact CD1-CD1 4.38Å; F8-Y65 AromaticContact CD1-CD2 3.18Å; F8-Y65 HydrophobicContact CD1-CD2 3.18Å; F8-Y65 AromaticContact CD1-CE2 3.39Å; F8-Y65 HydrophobicContact CD1-CE2 3.39Å; F8-Y65 AromaticContact CD1-CG 3.7Å; F8-Y65 HydrophobicContact CD1-CG 3.7Å; F8-Y65 AromaticContact CE1-CD2 3.61Å; F8-Y65 HydrophobicContact CE1-CD2 3.61Å; F8-Y65 HydrophobicContact CE1-CE1 4.43Å; F8-Y65 AromaticContact CE1-CE2 3.24Å; F8-Y65 HydrophobicContact CE1-CE2 3.24Å; F8-Y65 HydrophobicContact CE1-CG 4.31Å; F8-Y65 AromaticContact CE1-CZ 3.7Å; F8-Y65 HydrophobicContact CG-CD2 4.22Å; F8-Y65 HydrophobicContact CG-CG 4.37Å; F8-Y65 HydrophobicContact CZ-CE2 4.42Å; F8-Y67 HydrophobicContact CE1-CD2 4.47Å; F8-P95 HydrophobicContact CE1-CG 4.01Å; F8-P95 HydrophobicContact CZ-CB 4.1Å; F8-P95 HydrophobicContact CZ-CG 3.92Å | ||
| 9 | A | 67.8 | Low | 67 | Low | 42 Ų | 42 | 100.8 Ų | 100.8 | 35% | 0.347 | 57% | 0.565 | S | S | . | * | trans | -94.1 | 162.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S7 A11 T66 | S7-A9 PolarHBondContact O-N 2.79Å; A9-A11 PolarHBondContact O-N 2.76Å; A9-T66 VanDerWaalsContact CB-OG1 3.3Å; A9-T66 WeakPolarHBondContact CB-OG1 3.28Å; A9-T66 PolarHBondContact N-OG1 3.29Å; A9-T66 PolarHBondContact O-N 3.11Å; A9-T66 VanDerWaalsContact O-N 3.16Å | ||
| 10 | S | 72.8 | Confident | 68.5 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | B | Isolated β-bridge | trans | -61.5 | 132 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | C12 | S10-C12 PolarHBondContact O-N 2.62Å |
| 11 | A | 76.5 | Confident | 69.9 | Low | 12 Ų | 12 | 97.2 Ų | 97.2 | 10% | 0.099 | 55% | 0.545 | C | S | . | . | G | 310 helix | trans | -84.7 | 17.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A9 D13 C14 A63 | A9-A11 PolarHBondContact O-N 2.76Å; A11-D13 PolarHBondContact O-N 2.98Å; A11-C14 WeakPolarHBondContact O-CB 3.32Å; A11-C14 PolarHBondContact O-N 3.06Å; A11-C14 VanDerWaalsContact O-N 3.14Å; A11-A63 HydrophobicContact CB-CB 4.16Å; A11-A63 WeakPolarHBondContact CB-O 3.39Å |
| 12 | C | 80.1 | Confident | 72.7 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.1 | -174.3 | 65.9 | 0 | 0 | 0 | 0 | 114 | S10 | S10-C12 PolarHBondContact O-N 2.62Š|
| 13 | D | 88.5 | Confident | 75.7 | Confident | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -97.4 | 11.7 | 177.8 | 66.8 | -19.4 | 0 | 0 | 0 | 113.6 | A11 W119 | A11-D13 PolarHBondContact O-N 2.98Å; D13-W119 PolarHBondContact OD1-NE1 3.3Å |
| 14 | C | 90.2 | Very high | 78.5 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 16% | 0.155 | 45% | 0.453 | C | S | . | . | trans | -51.4 | 127.3 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 111 | A11 R16 A63 W119 | A11-C14 WeakPolarHBondContact O-CB 3.32Å; A11-C14 PolarHBondContact O-N 3.06Å; A11-C14 VanDerWaalsContact O-N 3.14Å; C14-R16 PolarHBondContact O-N 2.87Å; C14-A63 HydrophobicContact CB-CB 3.85Å; C14-W119 VanDerWaalsContact CA-CD1 3.49Å; C14-W119 HydrophobicContact CB-CB 4.02Å; C14-W119 HydrophobicContact CB-CG 3.8Å | ||
| 15 | P | 88.9 | Confident | 80.9 | Confident | 32 Ų | 32 | 79 Ų | 79 | 21% | 0.208 | 43% | 0.429 | C | S | . | . | trans | -54 | 137.5 | 173.3 | -24.4 | 32.7 | 0 | 0 | 0 | 111.2 | V18 R103 W119 | P15-V18 HydrophobicContact CB-CG2 3.61Å; P15-R103 HydrophobicContact CG-CG 3.62Å; P15-W119 HydrophobicContact CG-CE3 4.39Å; P15-W119 HydrophobicContact CG-CH2 4.4Å; P15-W119 HydrophobicContact CG-CZ3 4.17Å | ||
| 16 | R | 84.4 | Confident | 83.1 | Confident | 208 Ų | 208 | 78.8 Ų | 78.8 | 79% | 0.785 | 43% | 0.434 | S | S | * | . | trans | -112.1 | 149.9 | 176.4 | -58.4 | -177.3 | -171.3 | 171.4 | 2.7 | 109.4 | C14 V18 | C14-R16 PolarHBondContact O-N 2.87Å; R16-V18 VanDerWaalsContact C-N 3.26Å; R16-V18 PolarHBondContact O-N 3.01Å | ||
| 17 | D | 82 | Confident | 84.3 | Confident | 161 Ų | 161 | 80.8 Ų | 80.8 | 86% | 0.861 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 55.6 | 36.7 | 173.1 | -51.7 | -49 | 0 | 0 | 0 | 114.3 | P19 | D17-P19 WeakPolarHBondContact O-CD 3.42Š|
| 18 | V | 86.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 83.5 Ų | 83.5 | 28% | 0.279 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.6 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | P15 R16 | P15-V18 HydrophobicContact CB-CG2 3.61Å; R16-V18 VanDerWaalsContact C-N 3.26Å; R16-V18 PolarHBondContact O-N 3.01Å |
| 19 | P | 93.2 | Very high | 85.7 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141 | 176.8 | -22.5 | 33.6 | 0 | 0 | 0 | 111.2 | D17 K21 Q46 | D17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-K21 HydrophobicContact CB-CG 4.42Å; P19-K21 PolarHBondContact O-N 3.49Å; P19-Q46 PolarHBondContact O-NE2 3.49Å |
| 20 | V | 96.3 | Very high | 86.6 | Confident | 99 Ų | 99 | 82 Ų | 82 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 116.1 | 170 | 171.9 | 0 | 0 | 0 | 0 | 108.1 | Y22 | V20-Y22 HydrophobicContact CB-CE1 4.49Å; V20-Y22 HydrophobicContact CG1-CD1 3.9Å; V20-Y22 HydrophobicContact CG1-CD2 4.35Å; V20-Y22 HydrophobicContact CG1-CE1 3.63Å; V20-Y22 HydrophobicContact CG1-CE2 4.09Å; V20-Y22 HydrophobicContact CG1-CG 4.24Å; V20-Y22 HydrophobicContact CG2-CE1 4.48Å |
| 21 | K | 97.9 | Very high | 87.5 | Confident | 27 Ų | 27 | 78 Ų | 78 | 12% | 0.117 | 43% | 0.425 | C | S | . | . | trans | -125.2 | 52.3 | 178.8 | -64.9 | -175.8 | -176.7 | 174.5 | 0 | 110.5 | P19 A35 W36 D38 E42 Q46 | P19-K21 HydrophobicContact CB-CG 4.42Å; P19-K21 PolarHBondContact O-N 3.49Å; K21-A35 WeakPolarHBondContact O-CA 3.26Å; K21-W36 HydrophobicContact CB-CD2 4.12Å; K21-W36 HydrophobicContact CB-CG 4.16Å; K21-W36 HydrophobicContact CB-CZ2 4.27Å; K21-W36 WeakPolarHBondContact CB-O 3.32Å; K21-W36 PolarHBondContact O-N 3.14Å; K21-D38 IonicContact NZ-OD1 3.74Å; K21-D38 PolarHBondContact NZ-OD1 3.07Å; K21-D38 IonicContact NZ-OD2 3.98Å; K21-D38 PolarHBondContact NZ-OD2 3.25Å; K21-E42 WeakPolarHBondContact CE-OE1 3.48Å; K21-E42 VanDerWaalsContact NZ-CD 3.28Å; K21-E42 IonicContact NZ-OE1 2.62Å; K21-E42 PolarHBondContact NZ-OE1 3.32Å; K21-E42 VanDerWaalsContact NZ-OE1 3.11Å; K21-E42 IonicContact NZ-OE2 3.87Å; K21-E42 PolarHBondContact NZ-OE2 3.41Å; K21-Q46 HydrophobicContact CB-CG 4Å | ||
| 22 | Y | 98.3 | Very high | 88.5 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 12% | 0.118 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160 | 173 | 63 | -102.6 | 0 | 0 | 0 | 110.9 | V20 Y24 H34 V49 S50 N53 | V20-Y22 HydrophobicContact CB-CE1 4.49Å; V20-Y22 HydrophobicContact CG1-CD1 3.9Å; V20-Y22 HydrophobicContact CG1-CD2 4.35Å; V20-Y22 HydrophobicContact CG1-CE1 3.63Å; V20-Y22 HydrophobicContact CG1-CE2 4.09Å; V20-Y22 HydrophobicContact CG1-CG 4.24Å; V20-Y22 HydrophobicContact CG2-CE1 4.48Å; Y22-Y24 HydrophobicContact CD2-CE1 4.47Å; Y22-Y24 HydrophobicContact CD2-CE2 4.38Å; Y22-Y24 AromaticContact CE2-CE2 3.99Å; Y22-Y24 HydrophobicContact CE2-CE2 3.99Å; Y22-Y24 AromaticContact CE2-CZ 3.76Å; Y22-Y24 WeakPolarHBondContact CE2-OH 3.34Å; Y22-H34 CarbonylContact C-O 3.49Å; Y22-H34 WeakPolarHBondContact CA-O 3.45Å; Y22-H34 VanDerWaalsContact CB-O 3.32Å; Y22-H34 WeakPolarHBondContact CB-O 3.26Å; Y22-V49 HydrophobicContact CE1-CG1 4.01Å; Y22-S50 VanDerWaalsContact CD2-CB 3.43Å; Y22-N53 VanDerWaalsContact OH-CG 3.27Å; Y22-N53 PolarHBondContact OH-ND2 3.2Å; Y22-N53 VanDerWaalsContact OH-ND2 3.11Å |
| 23 | E | 97.9 | Very high | 89.3 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.2 | 170.8 | 69.3 | -174.1 | 168.5 | 0 | 0 | 110.4 | L25 H34 W36 | E23-L25 HydrophobicContact CG-CD2 4.05Å; E23-L25 HydrophobicContact CG-CG 4.38Å; E23-H34 HydrophobicContact CG-CB 3.9Å; E23-H34 PolarHBondContact N-O 2.91Å; E23-H34 PolarHBondContact O-N 3.28Å; E23-H34 IonicContact OE1-CE1 2.61Å; E23-H34 IonicContact OE1-CG 3.8Å; E23-H34 IonicContact OE1-ND1 3.28Å; E23-H34 PolarHBondContact OE1-ND1 3.07Å; E23-W36 HydrophobicContact CB-CH2 4.49Å; E23-W36 HydrophobicContact CB-CZ3 4.31Å; E23-W36 HydrophobicContact CG-CZ3 4.08Å |
| 24 | Y | 96.4 | Very high | 89.8 | Confident | 76 Ų | 76 | 70.3 Ų | 70.3 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.6 | 175.4 | -53.4 | -67.8 | 0 | 0 | 0 | 108.7 | Y22 V31 L33 S50 N53 Y54 | Y22-Y24 HydrophobicContact CD2-CE1 4.47Å; Y22-Y24 HydrophobicContact CD2-CE2 4.38Å; Y22-Y24 AromaticContact CE2-CE2 3.99Å; Y22-Y24 HydrophobicContact CE2-CE2 3.99Å; Y22-Y24 AromaticContact CE2-CZ 3.76Å; Y22-Y24 WeakPolarHBondContact CE2-OH 3.34Å; Y24-V31 HydrophobicContact CD1-CG2 4.18Å; Y24-V31 HydrophobicContact CG-CG2 4.45Å; Y24-L33 HydrophobicContact CD1-CD2 3.61Å; Y24-L33 HydrophobicContact CE1-CD2 3.65Å; Y24-S50 WeakPolarHBondContact CE1-O 3.37Å; Y24-S50 PolarHBondContact OH-O 2.72Å; Y24-N53 PolarHBondContact OH-ND2 3.47Å; Y24-Y54 AromaticContact CD1-CD2 3.72Å; Y24-Y54 HydrophobicContact CD1-CD2 3.72Å; Y24-Y54 HydrophobicContact CD1-CE2 4.21Å; Y24-Y54 HydrophobicContact CD2-CD2 4.31Å; Y24-Y54 AromaticContact CE1-CD2 3.59Å; Y24-Y54 HydrophobicContact CE1-CD2 3.59Å; Y24-Y54 HydrophobicContact CE1-CG 4.22Å; Y24-Y54 HydrophobicContact CE2-CD2 4.2Å; Y24-Y54 HydrophobicContact CG-CD2 4.07Å; Y24-Y54 HydrophobicContact CG-CE2 4.26Å; Y24-Y54 AromaticContact CZ-CD2 3.85Å; Y24-Y54 PolarHBondContact OH-N 3.24Å |
| 25 | L | 94.7 | Very high | 90.2 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.8 | 178.3 | -54.2 | 176 | 0 | 0 | 0 | 109.3 | E23 H27 Q32 H34 F154 | E23-L25 HydrophobicContact CG-CD2 4.05Å; E23-L25 HydrophobicContact CG-CG 4.38Å; L25-H27 PolarHBondContact O-N 2.81Å; L25-Q32 HydrophobicContact CB-CB 4.17Å; L25-Q32 PolarHBondContact N-O 2.8Å; L25-Q32 PolarHBondContact O-N 3Å; L25-H34 HydrophobicContact CD1-CB 4.02Å; L25-H34 HydrophobicContact CG-CB 4.35Å; L25-F154 HydrophobicContact CD1-CD1 4.32Å; L25-F154 HydrophobicContact CD1-CE1 4.13Å |
| 26 | D | 83.9 | Confident | 90.7 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 94% | 0.941 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.2 | 179.5 | -72.2 | -25.3 | 0 | 0 | 0 | 110.7 | ||
| 27 | H | 75.7 | Confident | 91.3 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | trans | -117.6 | 148.2 | 167.3 | -168.6 | -99.6 | 0 | 0 | 0 | 108.3 | L25 A29 D30 | L25-H27 PolarHBondContact O-N 2.81Å; H27-A29 PolarHBondContact O-N 3.04Å; H27-D30 CarbonylContact C-O 3.55Å; H27-D30 HydrophobicContact CB-CB 4.42Å; H27-D30 IonicContact CE1-OD2 3.96Å; H27-D30 PolarHBondContact N-O 3.16Å; H27-D30 IonicContact ND1-OD2 3.46Å; H27-D30 PolarHBondContact ND1-OD2 2.88Å; H27-D30 PolarHBondContact O-N 2.83Å | ||
| 28 | T | 73.5 | Confident | 91.9 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 89% | 0.89 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -52.8 | -32.3 | -158.7 | 49 | 0 | 0 | 0 | 0 | 116.5 | ||
| 29 | A | 74.1 | Confident | 92.4 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 63% | 0.628 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -138.2 | 0.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H27 | H27-A29 PolarHBondContact O-N 3.04Š|
| 30 | D | 86.3 | Confident | 92.6 | Very high | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -131.2 | 178 | -172.6 | -57.7 | -57.6 | 0 | 0 | 0 | 108 | H27 I156 I157 | H27-D30 CarbonylContact C-O 3.55Å; H27-D30 HydrophobicContact CB-CB 4.42Å; H27-D30 IonicContact CE1-OD2 3.96Å; H27-D30 PolarHBondContact N-O 3.16Å; H27-D30 IonicContact ND1-OD2 3.46Å; H27-D30 PolarHBondContact ND1-OD2 2.88Å; H27-D30 PolarHBondContact O-N 2.83Å; D30-I156 HydrophobicContact CB-CG2 3.59Å; D30-I157 WeakPolarHBondContact CB-O 3.41Å |
| 31 | V | 92.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.1 | 168 | 65.2 | 0 | 0 | 0 | 0 | 110 | Y24 L33 Y54 I156 I157 I159 | Y24-V31 HydrophobicContact CD1-CG2 4.18Å; Y24-V31 HydrophobicContact CG-CG2 4.45Å; V31-L33 HydrophobicContact CG1-CD2 4.31Å; V31-Y54 HydrophobicContact CB-CE1 4.29Å; V31-Y54 HydrophobicContact CB-CE2 4.24Å; V31-Y54 HydrophobicContact CG1-CD1 4.09Å; V31-Y54 HydrophobicContact CG1-CE1 3.72Å; V31-Y54 HydrophobicContact CG1-CE2 4.2Å; V31-Y54 HydrophobicContact CG1-CG 4.48Å; V31-Y54 HydrophobicContact CG2-CD2 4.45Å; V31-Y54 HydrophobicContact CG2-CE2 3.81Å; V31-I156 WeakPolarHBondContact O-CA 3.39Å; V31-I157 HydrophobicContact CG1-CD1 3.51Å; V31-I157 HydrophobicContact CG1-CG1 3.29Å; V31-I157 PolarHBondContact O-N 3.14Å; V31-I157 VanDerWaalsContact O-N 3.07Å; V31-I159 HydrophobicContact CG1-CG2 4.06Å |
| 32 | Q | 96.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.7 | 168.9 | -176.2 | 173.9 | 52.2 | 0 | 0 | 109 | L25 N141 V155 I156 | L25-Q32 HydrophobicContact CB-CB 4.17Å; L25-Q32 PolarHBondContact N-O 2.8Å; L25-Q32 PolarHBondContact O-N 3Å; Q32-N141 PolarHBondContact NE2-ND2 3.48Å; Q32-V155 CarbonylContact C-O 3.57Å; Q32-V155 WeakPolarHBondContact CA-O 3.46Å; Q32-I156 HydrophobicContact CB-CG1 4Å; Q32-I156 HydrophobicContact CG-CG1 4.05Å |
| 33 | L | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.4 | 168.2 | -49.3 | -175.8 | 0 | 0 | 0 | 108.4 | Y24 V31 V47 M51 F154 V155 I157 | Y24-L33 HydrophobicContact CD1-CD2 3.61Å; Y24-L33 HydrophobicContact CE1-CD2 3.65Å; V31-L33 HydrophobicContact CG1-CD2 4.31Å; L33-V47 HydrophobicContact CB-CG2 3.93Å; L33-V47 HydrophobicContact CD1-CG2 3.91Å; L33-M51 HydrophobicContact CD1-CB 3.81Å; L33-M51 HydrophobicContact CD1-CG 4.35Å; L33-F154 CarbonylContact O-C 3.5Å; L33-F154 VanDerWaalsContact O-CA 3.31Å; L33-F154 WeakPolarHBondContact O-CA 3.28Å; L33-V155 PolarHBondContact N-O 2.75Å; L33-V155 PolarHBondContact O-N 2.92Å; L33-I157 HydrophobicContact CD1-CD1 4.1Å; L33-I157 HydrophobicContact CD1-CG2 3.98Å; L33-I157 HydrophobicContact CD2-CD1 3.96Å; L33-I157 HydrophobicContact CG-CD1 4.13Å; L33-I157 HydrophobicContact CG-CG1 4.44Å; L33-I157 HydrophobicContact CG-CG2 4.34Å |
| 34 | H | 98.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.7 | 168.5 | 170.8 | -143.3 | 0 | 0 | 0 | 108.3 | Y22 E23 L25 W36 E152 V153 F154 | Y22-H34 CarbonylContact C-O 3.49Å; Y22-H34 WeakPolarHBondContact CA-O 3.45Å; Y22-H34 VanDerWaalsContact CB-O 3.32Å; Y22-H34 WeakPolarHBondContact CB-O 3.26Å; E23-H34 HydrophobicContact CG-CB 3.9Å; E23-H34 PolarHBondContact N-O 2.91Å; E23-H34 PolarHBondContact O-N 3.28Å; E23-H34 IonicContact OE1-CE1 2.61Å; E23-H34 IonicContact OE1-CG 3.8Å; E23-H34 IonicContact OE1-ND1 3.28Å; E23-H34 PolarHBondContact OE1-ND1 3.07Å; L25-H34 HydrophobicContact CD1-CB 4.02Å; L25-H34 HydrophobicContact CG-CB 4.35Å; H34-W36 AromaticContact CE1-CE3 3.73Å; H34-W36 AromaticContact ND1-CZ3 4Å; H34-W36 AromaticContact NE2-CE3 3.91Å; H34-E152 IonicContact NE2-OE1 3.05Å; H34-E152 IonicContact NE2-OE2 3.64Å; H34-V153 WeakPolarHBondContact CA-O 3.44Å; H34-F154 HydrophobicContact CB-CD1 3.86Å; H34-F154 HydrophobicContact CB-CE1 3.82Å; H34-F154 AromaticContact CD2-CD1 3.85Å; H34-F154 AromaticContact CD2-CE1 3.34Å; H34-F154 WeakPolarHBondContact CD2-CE1 3.45Å; H34-F154 AromaticContact CD2-CE2 3.82Å; H34-F154 AromaticContact CD2-CZ 3.32Å; H34-F154 WeakPolarHBondContact CD2-CZ 3.06Å; H34-F154 AromaticContact CE1-CZ 3.94Å; H34-F154 AromaticContact CG-CD1 3.9Å; H34-F154 AromaticContact CG-CE1 3.4Å; H34-F154 VanDerWaalsContact CG-CE1 3.4Å; H34-F154 AromaticContact CG-CZ 3.84Å; H34-F154 AromaticContact ND1-CE1 3.89Å; H34-F154 AromaticContact NE2-CE1 3.85Å; H34-F154 AromaticContact NE2-CZ 3.42Å; H34-F154 WeakPolarHBondContact NE2-CZ 3.3Å |
| 35 | A | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K21 Q46 V47 E152 V153 | K21-A35 WeakPolarHBondContact O-CA 3.26Å; A35-Q46 HydrophobicContact CB-CB 3.79Å; A35-V47 HydrophobicContact CB-CB 3.71Å; A35-E152 CarbonylContact O-C 3.52Å; A35-E152 WeakPolarHBondContact O-CA 3.47Å; A35-E152 WeakPolarHBondContact O-CB 3.15Å; A35-V153 HydrophobicContact CB-CG2 4.14Å; A35-V153 PolarHBondContact N-O 2.92Å; A35-V153 PolarHBondContact O-N 2.77Å |
| 36 | W | 98.5 | Very high | 93 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 166.6 | -177.3 | 62.4 | 94.2 | 0 | 0 | 0 | 112 | K21 E23 H34 H151 E152 | K21-W36 HydrophobicContact CB-CD2 4.12Å; K21-W36 HydrophobicContact CB-CG 4.16Å; K21-W36 HydrophobicContact CB-CZ2 4.27Å; K21-W36 WeakPolarHBondContact CB-O 3.32Å; K21-W36 PolarHBondContact O-N 3.14Å; E23-W36 HydrophobicContact CB-CH2 4.49Å; E23-W36 HydrophobicContact CB-CZ3 4.31Å; E23-W36 HydrophobicContact CG-CZ3 4.08Å; H34-W36 AromaticContact CE1-CE3 3.73Å; H34-W36 AromaticContact ND1-CZ3 4Å; H34-W36 AromaticContact NE2-CE3 3.91Å; W36-H151 CarbonylContact C-O 3.04Å; W36-H151 WeakPolarHBondContact CA-O 3.4Å; W36-H151 WeakPolarHBondContact CB-O 3.35Å; W36-E152 HydrophobicContact CB-CB 3.77Å |
| 37 | G | 97.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | trans | -155.9 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E42 H151 | G37-E42 VanDerWaalsContact CA-OE2 3.28Å; G37-E42 WeakPolarHBondContact CA-OE2 3.11Å; G37-H151 PolarHBondContact N-O 3.07Å | ||
| 38 | D | 95.5 | Very high | 94.8 | Very high | 130 Ų | 130 | 34.5 Ų | 34.5 | 70% | 0.695 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -71.9 | -20.8 | 170.2 | -60.4 | -17.7 | 0 | 0 | 0 | 110.7 | K21 E42 H151 | K21-D38 IonicContact NZ-OD1 3.74Å; K21-D38 PolarHBondContact NZ-OD1 3.07Å; K21-D38 IonicContact NZ-OD2 3.98Å; K21-D38 PolarHBondContact NZ-OD2 3.25Å; D38-E42 PolarHBondContact N-OE2 2.73Å; D38-H151 PolarHBondContact O-CD2 2.77Å |
| 39 | D | 96.6 | Very high | 95.9 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 32% | 0.316 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -143 | 171.2 | 166 | 69.5 | 25.6 | 0 | 0 | 0 | 110.7 | K41 E42 A43 H151 | D39-K41 PolarHBondContact O-N 3.16Å; D39-K41 WeakPolarHBondContact OD1-CA 3.41Å; D39-K41 VanDerWaalsContact OD1-CB 3.28Å; D39-K41 WeakPolarHBondContact OD1-CB 3.36Å; D39-K41 PolarHBondContact OD1-N 3.48Å; D39-K41 WeakPolarHBondContact OD2-CE 3.16Å; D39-K41 IonicContact OD2-NZ 3.5Å; D39-E42 PolarHBondContact O-N 2.76Å; D39-E42 PolarHBondContact OD1-N 2.98Å; D39-A43 PolarHBondContact O-N 2.77Å; D39-H151 VanDerWaalsContact C-CB 3.49Å |
| 40 | L | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -26.1 | -179.7 | -172.5 | 61.8 | 0 | 0 | 0 | 113.3 | A43 F44 M76 F107 V144 D146 V153 | L40-A43 HydrophobicContact CD1-CB 4.39Å; L40-A43 PolarHBondContact O-N 2.99Å; L40-F44 HydrophobicContact CD1-CD2 4.06Å; L40-F44 HydrophobicContact CD1-CE2 3.86Å; L40-F44 HydrophobicContact CD2-CE2 4.28Å; L40-F44 HydrophobicContact CG-CD2 4.05Å; L40-F44 HydrophobicContact CG-CE2 3.89Å; L40-F44 VanDerWaalsContact O-CD2 3.27Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 PolarHBondContact O-N 3.38Å; L40-F44 VanDerWaalsContact O-N 3.1Å; L40-M76 HydrophobicContact CD2-CE 4.02Å; L40-M76 HydrophobicContact CD2-CG 4.22Å; L40-M76 HydrophobicContact CD2-SD 3.79Å; L40-F107 HydrophobicContact CB-CE1 4.15Å; L40-F107 HydrophobicContact CD2-CE1 3.9Å; L40-F107 HydrophobicContact CD2-CZ 3.82Å; L40-F107 HydrophobicContact CG-CE1 4.06Å; L40-F107 HydrophobicContact CG-CZ 4.03Å; L40-V144 HydrophobicContact CD1-CG1 3.69Å; L40-V144 HydrophobicContact CD2-CG1 4.12Å; L40-D146 HydrophobicContact CD2-CB 4.05Å; L40-V153 HydrophobicContact CD1-CG1 4.17Å |
| 41 | K | 97.7 | Very high | 97.6 | Very high | 81 Ų | 81 | 22.9 Ų | 22.9 | 35% | 0.352 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -67.6 | -46 | 177.1 | -62.2 | 175.3 | -71.6 | 162.1 | 0 | 109.8 | D39 A43 F44 E45 V104 F107 | D39-K41 PolarHBondContact O-N 3.16Å; D39-K41 WeakPolarHBondContact OD1-CA 3.41Å; D39-K41 VanDerWaalsContact OD1-CB 3.28Å; D39-K41 WeakPolarHBondContact OD1-CB 3.36Å; D39-K41 PolarHBondContact OD1-N 3.48Å; D39-K41 WeakPolarHBondContact OD2-CE 3.16Å; D39-K41 IonicContact OD2-NZ 3.5Å; K41-A43 VanDerWaalsContact C-N 3.27Å; K41-A43 PolarHBondContact O-N 2.69Å; K41-F44 WeakPolarHBondContact O-CB 3.31Å; K41-F44 PolarHBondContact O-N 2.94Å; K41-F44 VanDerWaalsContact O-N 3.14Å; K41-E45 VanDerWaalsContact O-CG 3.31Å; K41-E45 WeakPolarHBondContact O-CG 3.3Å; K41-E45 PolarHBondContact O-N 3.25Å; K41-V104 HydrophobicContact CB-CB 4.06Å; K41-V104 HydrophobicContact CB-CG1 4.23Å; K41-V104 HydrophobicContact CB-CG2 4.31Å; K41-V104 HydrophobicContact CD-CB 4.48Å; K41-V104 HydrophobicContact CD-CG1 4.04Å; K41-V104 HydrophobicContact CG-CB 4.39Å; K41-V104 HydrophobicContact CG-CG1 4.01Å; K41-F107 HydrophobicContact CD-CB 3.86Å; K41-F107 HydrophobicContact CD-CD1 4.23Å; K41-F107 HydrophobicContact CD-CG 4.38Å; K41-F107 HydrophobicContact CG-CB 3.77Å; K41-F107 HydrophobicContact CG-CD1 3.42Å; K41-F107 VanDerWaalsContact CG-CD1 3.42Å; K41-F107 HydrophobicContact CG-CE1 4.1Å; K41-F107 HydrophobicContact CG-CG 3.74Å |
| 42 | E | 97.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.7 | -175 | -179.3 | -156.1 | 0 | 0 | 111.1 | K21 G37 D38 D39 F44 E45 Q46 | K21-E42 WeakPolarHBondContact CE-OE1 3.48Å; K21-E42 VanDerWaalsContact NZ-CD 3.28Å; K21-E42 IonicContact NZ-OE1 2.62Å; K21-E42 PolarHBondContact NZ-OE1 3.32Å; K21-E42 VanDerWaalsContact NZ-OE1 3.11Å; K21-E42 IonicContact NZ-OE2 3.87Å; K21-E42 PolarHBondContact NZ-OE2 3.41Å; G37-E42 VanDerWaalsContact CA-OE2 3.28Å; G37-E42 WeakPolarHBondContact CA-OE2 3.11Å; D38-E42 PolarHBondContact N-OE2 2.73Å; D39-E42 PolarHBondContact O-N 2.76Å; D39-E42 PolarHBondContact OD1-N 2.98Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.13Å; E42-E45 WeakPolarHBondContact O-CB 3.5Å; E42-E45 PolarHBondContact O-N 3.39Å; E42-Q46 HydrophobicContact CG-CG 4.08Å; E42-Q46 WeakPolarHBondContact O-CB 3.4Å; E42-Q46 WeakPolarHBondContact O-CG 3.19Å; E42-Q46 PolarHBondContact O-N 2.73Å |
| 43 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | D39 L40 K41 Q46 V47 V153 | D39-A43 PolarHBondContact O-N 2.77Å; L40-A43 HydrophobicContact CD1-CB 4.39Å; L40-A43 PolarHBondContact O-N 2.99Å; K41-A43 VanDerWaalsContact C-N 3.27Å; K41-A43 PolarHBondContact O-N 2.69Å; A43-Q46 PolarHBondContact O-N 2.79Å; A43-V47 WeakPolarHBondContact O-CG1 3.45Å; A43-V47 PolarHBondContact O-N 2.93Å; A43-V153 HydrophobicContact CB-CG1 4.31Å |
| 44 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 173.9 | -88 | -123.1 | 0 | 0 | 0 | 112 | L40 K41 E42 Q46 V47 G48 M76 L79 L80 F83 F107 I114 V153 | L40-F44 HydrophobicContact CD1-CD2 4.06Å; L40-F44 HydrophobicContact CD1-CE2 3.86Å; L40-F44 HydrophobicContact CD2-CE2 4.28Å; L40-F44 HydrophobicContact CG-CD2 4.05Å; L40-F44 HydrophobicContact CG-CE2 3.89Å; L40-F44 VanDerWaalsContact O-CD2 3.27Å; L40-F44 WeakPolarHBondContact O-CD2 3.33Å; L40-F44 PolarHBondContact O-N 3.38Å; L40-F44 VanDerWaalsContact O-N 3.1Å; K41-F44 WeakPolarHBondContact O-CB 3.31Å; K41-F44 PolarHBondContact O-N 2.94Å; K41-F44 VanDerWaalsContact O-N 3.14Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.13Å; F44-Q46 VanDerWaalsContact C-N 3.33Å; F44-Q46 PolarHBondContact O-N 3.35Å; F44-V47 VanDerWaalsContact O-CG1 3.24Å; F44-V47 WeakPolarHBondContact O-CG1 3.27Å; F44-G48 PolarHBondContact O-N 3.43Å; F44-M76 HydrophobicContact CE2-SD 4.2Å; F44-M76 HydrophobicContact CZ-CG 4.45Å; F44-M76 HydrophobicContact CZ-SD 3.76Å; F44-L79 HydrophobicContact CE1-CG 4.2Å; F44-L80 HydrophobicContact CD1-CD1 4.07Å; F44-L80 HydrophobicContact CD2-CD1 4.43Å; F44-L80 HydrophobicContact CE1-CB 3.89Å; F44-L80 HydrophobicContact CE1-CD1 3.92Å; F44-L80 HydrophobicContact CE2-CB 4.48Å; F44-L80 HydrophobicContact CE2-CD1 4.27Å; F44-L80 HydrophobicContact CG-CD1 4.35Å; F44-L80 HydrophobicContact CZ-CB 3.68Å; F44-L80 HydrophobicContact CZ-CD1 4.03Å; F44-L80 HydrophobicContact CZ-CG 4.37Å; F44-F83 HydrophobicContact CB-CE1 4.21Å; F44-F83 HydrophobicContact CD1-CB 4.42Å; F44-F83 AromaticContact CD1-CD1 3.86Å; F44-F83 HydrophobicContact CD1-CD1 3.86Å; F44-F83 HydrophobicContact CD1-CE1 4.33Å; F44-F83 HydrophobicContact CD1-CG 4.11Å; F44-F83 VanDerWaalsContact O-CE1 3.26Å; F44-F83 WeakPolarHBondContact O-CE1 3.16Å; F44-F107 HydrophobicContact CD1-CE2 4.46Å; F44-F107 HydrophobicContact CE1-CE2 4.29Å; F44-F107 HydrophobicContact CE2-CZ 4.34Å; F44-F107 HydrophobicContact CZ-CE2 4.43Å; F44-F107 HydrophobicContact CZ-CZ 4.38Å; F44-I114 HydrophobicContact CB-CD1 4.25Å; F44-I114 HydrophobicContact CD1-CD1 3.52Å; F44-I114 HydrophobicContact CE1-CD1 4.2Å; F44-I114 HydrophobicContact CG-CD1 4.2Å; F44-V153 HydrophobicContact CD2-CG1 4.15Å; F44-V153 HydrophobicContact CE2-CG1 4.05Å |
| 45 | E | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 8% | 0.075 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.6 | -65.5 | 168.2 | 178.7 | 0 | 0 | 111.3 | K41 E42 G48 V49 I102 R103 V104 | K41-E45 VanDerWaalsContact O-CG 3.31Å; K41-E45 WeakPolarHBondContact O-CG 3.3Å; K41-E45 PolarHBondContact O-N 3.25Å; E42-E45 WeakPolarHBondContact O-CB 3.5Å; E42-E45 PolarHBondContact O-N 3.39Å; E45-G48 PolarHBondContact O-N 3.01Å; E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 2.63Å; E45-I102 HydrophobicContact CG-CG2 4.39Å; E45-R103 VanDerWaalsContact OE1-CA 3.31Å; E45-R103 WeakPolarHBondContact OE1-CA 3.46Å; E45-R103 WeakPolarHBondContact OE2-CD 3.32Å; E45-R103 IonicContact OE2-CZ 2.73Å; E45-R103 IonicContact OE2-NE 2.63Å; E45-R103 IonicContact OE2-NH1 3.18Å; E45-R103 PolarHBondContact OE2-NH1 2.88Å; E45-V104 HydrophobicContact CG-CB 4.35Å; E45-V104 HydrophobicContact CG-CG2 3.7Å; E45-V104 PolarHBondContact OE1-N 3.17Å |
| 46 | Q | 98.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -39.8 | -176.1 | -69.2 | -77.3 | -17 | 0 | 0 | 112.2 | P19 K21 A35 E42 A43 F44 G48 V49 S50 | P19-Q46 PolarHBondContact O-NE2 3.49Å; K21-Q46 HydrophobicContact CB-CG 4Å; A35-Q46 HydrophobicContact CB-CB 3.79Å; E42-Q46 HydrophobicContact CG-CG 4.08Å; E42-Q46 WeakPolarHBondContact O-CB 3.4Å; E42-Q46 WeakPolarHBondContact O-CG 3.19Å; E42-Q46 PolarHBondContact O-N 2.73Å; A43-Q46 PolarHBondContact O-N 2.79Å; F44-Q46 VanDerWaalsContact C-N 3.33Å; F44-Q46 PolarHBondContact O-N 3.35Å; Q46-G48 VanDerWaalsContact C-N 3.34Å; Q46-V49 PolarHBondContact O-N 3.05Å; Q46-S50 WeakPolarHBondContact O-CB 3.2Å; Q46-S50 PolarHBondContact O-N 3.32Å |
| 47 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 175.7 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | L33 A35 A43 F44 S50 M51 L80 L84 V153 V155 | L33-V47 HydrophobicContact CB-CG2 3.93Å; L33-V47 HydrophobicContact CD1-CG2 3.91Å; A35-V47 HydrophobicContact CB-CB 3.71Å; A43-V47 WeakPolarHBondContact O-CG1 3.45Å; A43-V47 PolarHBondContact O-N 2.93Å; F44-V47 VanDerWaalsContact O-CG1 3.24Å; F44-V47 WeakPolarHBondContact O-CG1 3.27Å; V47-S50 WeakPolarHBondContact CA-OG 3.28Å; V47-S50 PolarHBondContact O-N 2.92Å; V47-S50 PolarHBondContact O-OG 3.24Å; V47-M51 PolarHBondContact O-N 3.01Å; V47-L80 HydrophobicContact CG1-CD1 3.94Å; V47-L84 HydrophobicContact CG1-CD1 4.47Å; V47-L84 HydrophobicContact CG1-CD2 4.17Å; V47-L84 HydrophobicContact CG2-CD1 4.13Å; V47-V153 HydrophobicContact CB-CG2 3.69Å; V47-V153 HydrophobicContact CG1-CG2 3.72Å; V47-V153 HydrophobicContact CG2-CG2 4.18Å; V47-V155 HydrophobicContact CG2-CB 4.48Å; V47-V155 HydrophobicContact CG2-CG2 4.19Å |
| 48 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F44 E45 Q46 S50 M51 F52 | F44-G48 PolarHBondContact O-N 3.43Å; E45-G48 PolarHBondContact O-N 3.01Å; Q46-G48 VanDerWaalsContact C-N 3.34Å; G48-S50 VanDerWaalsContact C-N 3.34Å; G48-S50 PolarHBondContact O-N 3.2Å; G48-M51 WeakPolarHBondContact O-CB 3.24Å; G48-M51 PolarHBondContact O-N 3.39Å; G48-F52 WeakPolarHBondContact O-CD2 3.17Å; G48-F52 PolarHBondContact O-N 3.18Å |
| 49 | V | 98 | Very high | 97 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 13% | 0.133 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | Y22 E45 Q46 M51 F52 N53 L58 I102 | Y22-V49 HydrophobicContact CE1-CG1 4.01Å; E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 2.63Å; Q46-V49 PolarHBondContact O-N 3.05Å; V49-M51 VanDerWaalsContact C-N 3.31Å; V49-M51 PolarHBondContact O-N 3.37Å; V49-F52 PolarHBondContact O-N 3.38Å; V49-N53 WeakPolarHBondContact O-CB 3.34Å; V49-N53 PolarHBondContact O-N 2.7Å; V49-L58 HydrophobicContact CG1-CD1 3.72Å; V49-I102 HydrophobicContact CG2-CB 4.18Å; V49-I102 HydrophobicContact CG2-CD1 4.21Å; V49-I102 HydrophobicContact CG2-CG1 4.12Å |
| 50 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -38.9 | -179.7 | 81 | 0 | 0 | 0 | 0 | 112.4 | Y22 Y24 Q46 V47 G48 N53 Y54 | Y22-S50 VanDerWaalsContact CD2-CB 3.43Å; Y24-S50 WeakPolarHBondContact CE1-O 3.37Å; Y24-S50 PolarHBondContact OH-O 2.72Å; Q46-S50 WeakPolarHBondContact O-CB 3.2Å; Q46-S50 PolarHBondContact O-N 3.32Å; V47-S50 WeakPolarHBondContact CA-OG 3.28Å; V47-S50 PolarHBondContact O-N 2.92Å; V47-S50 PolarHBondContact O-OG 3.24Å; G48-S50 VanDerWaalsContact C-N 3.34Å; G48-S50 PolarHBondContact O-N 3.2Å; S50-N53 PolarHBondContact O-N 3.41Å; S50-Y54 PolarHBondContact O-N 3.39Å |
| 51 | M | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 177.3 | -175.6 | -175.7 | 70.1 | 0 | 0 | 110.6 | L33 V47 G48 V49 Y54 M55 L84 W87 L88 V134 I137 I157 | L33-M51 HydrophobicContact CD1-CB 3.81Å; L33-M51 HydrophobicContact CD1-CG 4.35Å; V47-M51 PolarHBondContact O-N 3.01Å; G48-M51 WeakPolarHBondContact O-CB 3.24Å; G48-M51 PolarHBondContact O-N 3.39Å; V49-M51 VanDerWaalsContact C-N 3.31Å; V49-M51 PolarHBondContact O-N 3.37Å; M51-Y54 WeakPolarHBondContact O-CB 3.48Å; M51-Y54 PolarHBondContact O-N 3.29Å; M51-M55 HydrophobicContact CE-CE 3.93Å; M51-M55 HydrophobicContact CG-CE 3.67Å; M51-M55 PolarHBondContact O-N 3.36Å; M51-M55 HydrophobicContact SD-CE 4.23Å; M51-L84 HydrophobicContact SD-CB 4.5Å; M51-L84 HydrophobicContact SD-CD2 4.3Å; M51-W87 HydrophobicContact CE-CB 3.84Å; M51-L88 HydrophobicContact CE-CB 4.37Å; M51-V134 HydrophobicContact CG-CG2 4.48Å; M51-I137 HydrophobicContact SD-CD1 3.57Å; M51-I137 VanDerWaalsContact SD-CD1 3.57Å; M51-I157 HydrophobicContact CG-CD1 4.47Å |
| 52 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 177.8 | -79.9 | -71.9 | 0 | 0 | 0 | 113.7 | G48 V49 Y54 M55 T56 L58 W87 F91 V98 P99 | G48-F52 WeakPolarHBondContact O-CD2 3.17Å; G48-F52 PolarHBondContact O-N 3.18Å; V49-F52 PolarHBondContact O-N 3.38Å; F52-Y54 PolarHBondContact O-N 3.09Å; F52-M55 HydrophobicContact CD1-CE 3.74Å; F52-M55 HydrophobicContact CD1-SD 4.43Å; F52-M55 HydrophobicContact CE1-CE 3.94Å; F52-M55 HydrophobicContact CG-CE 4.21Å; F52-M55 PolarHBondContact O-N 3.49Å; F52-M55 VanDerWaalsContact O-N 3.09Å; F52-T56 PolarHBondContact O-N 3.15Å; F52-L58 HydrophobicContact CB-CD1 4.45Å; F52-L58 HydrophobicContact CB-CD2 4.1Å; F52-W87 HydrophobicContact CE2-CB 3.85Å; F52-W87 HydrophobicContact CE2-CD2 4.25Å; F52-W87 HydrophobicContact CE2-CE3 4.08Å; F52-W87 HydrophobicContact CE2-CG 4.18Å; F52-W87 HydrophobicContact CZ-CB 4.27Å; F52-W87 HydrophobicContact CZ-CE3 4.42Å; F52-W87 WeakPolarHBondContact CZ-O 3.45Å; F52-F91 HydrophobicContact CE1-CB 3.71Å; F52-F91 HydrophobicContact CE1-CD2 4.07Å; F52-F91 AromaticContact CE1-CG 3.99Å; F52-F91 HydrophobicContact CE1-CG 3.99Å; F52-F91 HydrophobicContact CZ-CB 4.11Å; F52-V98 HydrophobicContact CD1-CG1 4.01Å; F52-P99 HydrophobicContact CD1-CG 4.49Å; F52-P99 HydrophobicContact CD2-CG 3.32Å; F52-P99 HydrophobicContact CE1-CG 4.44Å; F52-P99 HydrophobicContact CE2-CG 3.26Å; F52-P99 HydrophobicContact CG-CG 3.96Å; F52-P99 HydrophobicContact CZ-CG 3.87Å |
| 53 | N | 96.2 | Very high | 96.5 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.8 | -23.2 | 174.9 | -169.3 | 73.5 | 0 | 0 | 0 | 113 | Y22 Y24 V49 S50 T56 L58 | Y22-N53 VanDerWaalsContact OH-CG 3.27Å; Y22-N53 PolarHBondContact OH-ND2 3.2Å; Y22-N53 VanDerWaalsContact OH-ND2 3.11Å; Y24-N53 PolarHBondContact OH-ND2 3.47Å; V49-N53 WeakPolarHBondContact O-CB 3.34Å; V49-N53 PolarHBondContact O-N 2.7Å; S50-N53 PolarHBondContact O-N 3.41Å; N53-T56 CarbonylContact C-O 3.44Å; N53-T56 WeakPolarHBondContact CA-O 3.43Å; N53-L58 HydrophobicContact CB-CD1 3.76Å; N53-L58 HydrophobicContact CB-CG 3.85Å |
| 54 | Y | 94.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -74.2 | -34 | 171.3 | -156.7 | -99.4 | 0 | 0 | 0 | 112.2 | Y24 V31 S50 M51 F52 T132 I159 | Y24-Y54 AromaticContact CD1-CD2 3.72Å; Y24-Y54 HydrophobicContact CD1-CD2 3.72Å; Y24-Y54 HydrophobicContact CD1-CE2 4.21Å; Y24-Y54 HydrophobicContact CD2-CD2 4.31Å; Y24-Y54 AromaticContact CE1-CD2 3.59Å; Y24-Y54 HydrophobicContact CE1-CD2 3.59Å; Y24-Y54 HydrophobicContact CE1-CG 4.22Å; Y24-Y54 HydrophobicContact CE2-CD2 4.2Å; Y24-Y54 HydrophobicContact CG-CD2 4.07Å; Y24-Y54 HydrophobicContact CG-CE2 4.26Å; Y24-Y54 AromaticContact CZ-CD2 3.85Å; Y24-Y54 PolarHBondContact OH-N 3.24Å; V31-Y54 HydrophobicContact CB-CE1 4.29Å; V31-Y54 HydrophobicContact CB-CE2 4.24Å; V31-Y54 HydrophobicContact CG1-CD1 4.09Å; V31-Y54 HydrophobicContact CG1-CE1 3.72Å; V31-Y54 HydrophobicContact CG1-CE2 4.2Å; V31-Y54 HydrophobicContact CG1-CG 4.48Å; V31-Y54 HydrophobicContact CG2-CD2 4.45Å; V31-Y54 HydrophobicContact CG2-CE2 3.81Å; S50-Y54 PolarHBondContact O-N 3.39Å; M51-Y54 WeakPolarHBondContact O-CB 3.48Å; M51-Y54 PolarHBondContact O-N 3.29Å; F52-Y54 PolarHBondContact O-N 3.09Å; Y54-T132 HydrophobicContact CE1-CG2 4.21Å; Y54-T132 PolarHBondContact O-N 2.81Å; Y54-I159 HydrophobicContact CD1-CG2 4.37Å; Y54-I159 HydrophobicContact CE1-CD1 4.24Å; Y54-I159 HydrophobicContact CE1-CG2 3.99Å |
| 55 | M | 94.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.9 | -37.2 | 177.5 | -67.1 | -174.9 | -113.1 | 0 | 0 | 113.6 | M51 F52 L88 F91 G131 T132 V134 | M51-M55 HydrophobicContact CE-CE 3.93Å; M51-M55 HydrophobicContact CG-CE 3.67Å; M51-M55 PolarHBondContact O-N 3.36Å; M51-M55 HydrophobicContact SD-CE 4.23Å; F52-M55 HydrophobicContact CD1-CE 3.74Å; F52-M55 HydrophobicContact CD1-SD 4.43Å; F52-M55 HydrophobicContact CE1-CE 3.94Å; F52-M55 HydrophobicContact CG-CE 4.21Å; F52-M55 PolarHBondContact O-N 3.49Å; F52-M55 VanDerWaalsContact O-N 3.09Å; M55-L88 HydrophobicContact CE-CD1 4.21Å; M55-F91 HydrophobicContact SD-CD1 3.72Å; M55-F91 HydrophobicContact SD-CE1 3.69Å; M55-F91 HydrophobicContact SD-CG 4.31Å; M55-F91 HydrophobicContact SD-CZ 4.26Å; M55-G131 WeakPolarHBondContact O-CA 3.35Å; M55-G131 PolarHBondContact O-N 2.98Å; M55-T132 WeakPolarHBondContact CA-O 3.41Å; M55-V134 HydrophobicContact CE-CB 4.19Å; M55-V134 HydrophobicContact CE-CG2 4.1Å; M55-V134 HydrophobicContact CG-CB 4.18Å; M55-V134 HydrophobicContact CG-CG2 3.54Å; M55-V134 HydrophobicContact SD-CB 4.12Å; M55-V134 HydrophobicContact SD-CG2 4.1Å |
| 56 | T | 95.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -157.5 | 149.6 | 179.2 | 178 | 0 | 0 | 0 | 0 | 111.1 | F52 N53 L58 V61 V98 F123 T129 | F52-T56 PolarHBondContact O-N 3.15Å; N53-T56 CarbonylContact C-O 3.44Å; N53-T56 WeakPolarHBondContact CA-O 3.43Å; T56-L58 HydrophobicContact CG2-CD2 4.34Å; T56-L58 PolarHBondContact O-N 3.09Å; T56-V61 HydrophobicContact CG2-CG2 4.42Å; T56-V98 HydrophobicContact CG2-CG1 3.84Å; T56-F123 HydrophobicContact CG2-CD2 4.42Å; T56-F123 HydrophobicContact CG2-CE2 4.2Å; T56-T129 WeakPolarHBondContact CA-O 3.45Å; T56-T129 WeakPolarHBondContact CB-O 3.25Å; T56-T129 PolarHBondContact OG1-O 3.11Å |
| 57 | D | 94.8 | Very high | 96 | Very high | 50 Ų | 50 | 33 Ų | 33 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | trans | -66.5 | 106.5 | 176.8 | -171.1 | -18.9 | 0 | 0 | 0 | 111.1 | K59 N60 T129 | D57-K59 PolarHBondContact O-N 2.93Å; D57-K59 WeakPolarHBondContact OD1-CB 3.24Å; D57-K59 VanDerWaalsContact OD1-CD 3.32Å; D57-K59 WeakPolarHBondContact OD1-CD 3.12Å; D57-K59 WeakPolarHBondContact OD1-CG 3.45Å; D57-K59 PolarHBondContact OD1-N 2.96Å; D57-K59 VanDerWaalsContact OD1-N 3.11Å; D57-K59 WeakPolarHBondContact OD2-CD 3.35Å; D57-K59 WeakPolarHBondContact OD2-CE 3.14Å; D57-K59 IonicContact OD2-NZ 3.17Å; D57-K59 PolarHBondContact OD2-NZ 2.91Å; D57-N60 PolarHBondContact O-N 3.35Å; D57-N60 VanDerWaalsContact O-N 3.08Å; D57-T129 WeakPolarHBondContact CB-OG1 3.34Å; D57-T129 PolarHBondContact N-OG1 2.9Å | ||
| 58 | L | 95.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -65.2 | -11.3 | -175.5 | -62.2 | -174.1 | 0 | 0 | 0 | 113.6 | V49 F52 N53 T56 N60 V61 V98 | V49-L58 HydrophobicContact CG1-CD1 3.72Å; F52-L58 HydrophobicContact CB-CD1 4.45Å; F52-L58 HydrophobicContact CB-CD2 4.1Å; N53-L58 HydrophobicContact CB-CD1 3.76Å; N53-L58 HydrophobicContact CB-CG 3.85Å; T56-L58 HydrophobicContact CG2-CD2 4.34Å; T56-L58 PolarHBondContact O-N 3.09Å; L58-N60 PolarHBondContact O-N 2.94Å; L58-V61 HydrophobicContact CD2-CG2 3.96Å; L58-V61 PolarHBondContact O-N 3.02Å; L58-V98 HydrophobicContact CD2-CG1 3.79Å |
| 59 | K | 93.5 | Very high | 95.9 | Very high | 147 Ų | 147 | 35.3 Ų | 35.3 | 64% | 0.639 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -63 | -26.8 | 172.4 | 86.4 | -167.9 | 177.8 | -149.3 | 0 | 112.2 | D57 | D57-K59 PolarHBondContact O-N 2.93Å; D57-K59 WeakPolarHBondContact OD1-CB 3.24Å; D57-K59 VanDerWaalsContact OD1-CD 3.32Å; D57-K59 WeakPolarHBondContact OD1-CD 3.12Å; D57-K59 WeakPolarHBondContact OD1-CG 3.45Å; D57-K59 PolarHBondContact OD1-N 2.96Å; D57-K59 VanDerWaalsContact OD1-N 3.11Å; D57-K59 WeakPolarHBondContact OD2-CD 3.35Å; D57-K59 WeakPolarHBondContact OD2-CE 3.14Å; D57-K59 IonicContact OD2-NZ 3.17Å; D57-K59 PolarHBondContact OD2-NZ 2.91Å |
| 60 | N | 94.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -91.9 | -5.2 | -179.1 | -58.7 | -42.7 | 0 | 0 | 0 | 112.8 | D57 L58 K127 | D57-N60 PolarHBondContact O-N 3.35Å; D57-N60 VanDerWaalsContact O-N 3.08Å; L58-N60 PolarHBondContact O-N 2.94Å; N60-K127 WeakPolarHBondContact O-CE 3.34Å |
| 61 | V | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -90.3 | 132 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | T56 L58 V98 K100 E121 | T56-V61 HydrophobicContact CG2-CG2 4.42Å; L58-V61 HydrophobicContact CD2-CG2 3.96Å; L58-V61 PolarHBondContact O-N 3.02Å; V61-V98 HydrophobicContact CG1-CB 4.46Å; V61-V98 HydrophobicContact CG1-CG1 4.26Å; V61-V98 WeakPolarHBondContact CG1-O 3.39Å; V61-V98 HydrophobicContact CG2-CG1 3.86Å; V61-K100 HydrophobicContact CB-CB 4.39Å; V61-K100 HydrophobicContact CG1-CB 4.05Å; V61-K100 VanDerWaalsContact O-CD 3.24Å; V61-K100 WeakPolarHBondContact O-CD 3.49Å; V61-K100 WeakPolarHBondContact O-CE 3.47Å; V61-K100 PolarHBondContact O-NZ 2.88Å; V61-E121 VanDerWaalsContact CA-OE1 3.3Å; V61-E121 WeakPolarHBondContact CA-OE1 3.33Å; V61-E121 HydrophobicContact CG1-CG 4.16Å | ||
| 62 | D | 95 | Very high | 96 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | trans | -100.3 | 146.7 | 174.7 | -71.7 | -42.1 | 0 | 0 | 0 | 111.1 | M64 G120 E121 K127 | D62-M64 HydrophobicContact CB-CE 3.5Å; D62-M64 HydrophobicContact CB-CG 3.95Å; D62-M64 HydrophobicContact CB-SD 4.35Å; D62-M64 PolarHBondContact O-N 2.74Å; D62-M64 VanDerWaalsContact O-N 3.11Å; D62-M64 WeakPolarHBondContact OD2-CE 3.47Å; D62-G120 CarbonylContact O-C 3.6Å; D62-G120 VanDerWaalsContact O-CA 3.29Å; D62-G120 WeakPolarHBondContact O-CA 3.35Å; D62-E121 PolarHBondContact N-OE1 3.41Å; D62-E121 PolarHBondContact O-N 2.89Å; D62-K127 IonicContact OD2-NZ 2.75Å; D62-K127 PolarHBondContact OD2-NZ 3.01Å | ||
| 63 | A | 94.8 | Very high | 96 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | trans | -82.5 | 83 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A11 C14 W119 | A11-A63 HydrophobicContact CB-CB 4.16Å; A11-A63 WeakPolarHBondContact CB-O 3.39Å; C14-A63 HydrophobicContact CB-CB 3.85Å; A63-W119 HydrophobicContact CB-CB 4.04Å | ||
| 64 | M | 95.1 | Very high | 96.1 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | trans | -91.5 | -40.9 | -177.4 | -67.1 | -66.9 | 178.6 | 0 | 0 | 112.1 | D62 G120 E121 | D62-M64 HydrophobicContact CB-CE 3.5Å; D62-M64 HydrophobicContact CB-CG 3.95Å; D62-M64 HydrophobicContact CB-SD 4.35Å; D62-M64 PolarHBondContact O-N 2.74Å; D62-M64 VanDerWaalsContact O-N 3.11Å; D62-M64 WeakPolarHBondContact OD2-CE 3.47Å; M64-G120 PolarHBondContact N-O 2.75Å; M64-E121 HydrophobicContact CB-CB 4Å; M64-E121 HydrophobicContact CG-CB 3.99Å | ||
| 65 | Y | 95.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 14% | 0.137 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 170.7 | 177.5 | 62.9 | -102.4 | 0 | 0 | 0 | 111.2 | F8 F97 G120 E121 S122 | F8-Y65 HydrophobicContact CB-CG 4.49Å; F8-Y65 HydrophobicContact CD1-CD1 4.38Å; F8-Y65 AromaticContact CD1-CD2 3.18Å; F8-Y65 HydrophobicContact CD1-CD2 3.18Å; F8-Y65 AromaticContact CD1-CE2 3.39Å; F8-Y65 HydrophobicContact CD1-CE2 3.39Å; F8-Y65 AromaticContact CD1-CG 3.7Å; F8-Y65 HydrophobicContact CD1-CG 3.7Å; F8-Y65 AromaticContact CE1-CD2 3.61Å; F8-Y65 HydrophobicContact CE1-CD2 3.61Å; F8-Y65 HydrophobicContact CE1-CE1 4.43Å; F8-Y65 AromaticContact CE1-CE2 3.24Å; F8-Y65 HydrophobicContact CE1-CE2 3.24Å; F8-Y65 HydrophobicContact CE1-CG 4.31Å; F8-Y65 AromaticContact CE1-CZ 3.7Å; F8-Y65 HydrophobicContact CG-CD2 4.22Å; F8-Y65 HydrophobicContact CG-CG 4.37Å; F8-Y65 HydrophobicContact CZ-CE2 4.42Å; Y65-F97 HydrophobicContact CD2-CD2 4.02Å; Y65-F97 AromaticContact CD2-CE2 3.65Å; Y65-F97 HydrophobicContact CD2-CE2 3.65Å; Y65-F97 AromaticContact CE2-CD2 3.12Å; Y65-F97 HydrophobicContact CE2-CD2 3.12Å; Y65-F97 AromaticContact CE2-CE2 3.25Å; Y65-F97 HydrophobicContact CE2-CE2 3.25Å; Y65-F97 HydrophobicContact CE2-CG 4.19Å; Y65-F97 HydrophobicContact CE2-CZ 4.41Å; Y65-F97 AromaticContact CZ-CD2 3.53Å; Y65-F97 AromaticContact CZ-CE2 3.92Å; Y65-F97 WeakPolarHBondContact OH-CD2 3.33Å; Y65-G120 PolarHBondContact N-O 2.8Å; Y65-G120 PolarHBondContact O-N 2.93Å; Y65-G120 VanDerWaalsContact O-O 3.12Å; Y65-E121 HydrophobicContact CE1-CB 4.38Å; Y65-S122 PolarHBondContact OH-N 2.87Å; Y65-S122 PolarHBondContact OH-OG 2.94Å |
| 66 | T | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151.6 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | A9 R117 G118 W119 | A9-T66 VanDerWaalsContact CB-OG1 3.3Å; A9-T66 WeakPolarHBondContact CB-OG1 3.28Å; A9-T66 PolarHBondContact N-OG1 3.29Å; A9-T66 PolarHBondContact O-N 3.11Å; A9-T66 VanDerWaalsContact O-N 3.16Å; T66-R117 HydrophobicContact CG2-CG 4.3Å; T66-G118 CarbonylContact C-O 3.53Å; T66-G118 WeakPolarHBondContact CA-O 3.37Å; T66-G118 WeakPolarHBondContact CB-O 3.42Å; T66-W119 VanDerWaalsContact CG2-CD1 3.48Å; T66-W119 HydrophobicContact CG2-CG 4.11Å |
| 67 | Y | 96 | Very high | 96.5 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.7 | 171.4 | -163.8 | -82.1 | 0 | 0 | 0 | 108.7 | A6 F8 V69 W87 A90 P95 F97 G118 | A6-Y67 HydrophobicContact CB-CD2 4.39Å; A6-Y67 HydrophobicContact CB-CE2 3.86Å; F8-Y67 HydrophobicContact CE1-CD2 4.47Å; Y67-V69 HydrophobicContact CD1-CG1 3.96Å; Y67-V69 HydrophobicContact CE1-CG1 3.96Å; Y67-W87 HydrophobicContact CD1-CZ3 4.43Å; Y67-A90 HydrophobicContact CD1-CB 4.1Å; Y67-A90 HydrophobicContact CE1-CB 3.68Å; Y67-P95 HydrophobicContact CE2-CG 4.38Å; Y67-F97 VanDerWaalsContact CB-CD1 3.48Å; Y67-F97 HydrophobicContact CD1-CD1 4.48Å; Y67-F97 HydrophobicContact CD2-CB 4.47Å; Y67-F97 HydrophobicContact CD2-CG 4.44Å; Y67-F97 AromaticContact CG-CD1 3.99Å; Y67-F97 HydrophobicContact CG-CD1 3.99Å; Y67-F97 HydrophobicContact CG-CE1 4.34Å; Y67-F97 HydrophobicContact CG-CG 4.24Å; Y67-G118 PolarHBondContact N-O 3.5Å; Y67-G118 PolarHBondContact O-N 2.79Å |
| 68 | D | 97.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.1 | 179 | -71.6 | 6.9 | 0 | 0 | 0 | 109.4 | A116 R117 | D68-A116 CarbonylContact C-O 3.58Å; D68-A116 VanDerWaalsContact CA-O 3.27Å; D68-A116 WeakPolarHBondContact CA-O 3.18Å; D68-R117 VanDerWaalsContact OD1-CB 3.28Å; D68-R117 WeakPolarHBondContact OD1-CB 3.46Å; D68-R117 VanDerWaalsContact OD1-CG 3.27Å; D68-R117 WeakPolarHBondContact OD1-CG 3.31Å; D68-R117 IonicContact OD1-CZ 2.67Å; D68-R117 IonicContact OD1-NE 2.71Å; D68-R117 PolarHBondContact OD1-NE 2.76Å; D68-R117 IonicContact OD1-NH2 2.77Å; D68-R117 PolarHBondContact OD1-NH2 2.73Å; D68-R117 IonicContact OD2-CZ 3.67Å; D68-R117 IonicContact OD2-NE 3.95Å; D68-R117 IonicContact OD2-NH2 2.82Å; D68-R117 PolarHBondContact OD2-NH2 3.11Å |
| 69 | V | 97.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.9 | 171.8 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | Y67 F83 E86 W87 R115 A116 | Y67-V69 HydrophobicContact CD1-CG1 3.96Å; Y67-V69 HydrophobicContact CE1-CG1 3.96Å; V69-F83 HydrophobicContact CG2-CD2 4.47Å; V69-F83 HydrophobicContact CG2-CE2 4.26Å; V69-E86 HydrophobicContact CB-CB 4.14Å; V69-E86 HydrophobicContact CG1-CB 4.37Å; V69-W87 HydrophobicContact CB-CZ2 4.48Å; V69-W87 HydrophobicContact CG1-CD2 4.05Å; V69-W87 HydrophobicContact CG1-CE3 3.95Å; V69-W87 HydrophobicContact CG1-CH2 4.03Å; V69-W87 HydrophobicContact CG1-CZ2 4.21Å; V69-W87 HydrophobicContact CG1-CZ3 3.92Å; V69-W87 HydrophobicContact CG2-CD2 4.05Å; V69-W87 VanDerWaalsContact CG2-CE2 3.42Å; V69-W87 HydrophobicContact CG2-CG 4.46Å; V69-W87 HydrophobicContact CG2-CH2 4.12Å; V69-W87 HydrophobicContact CG2-CZ2 3.5Å; V69-W87 VanDerWaalsContact CG2-CZ2 3.5Å; V69-R115 WeakPolarHBondContact O-CA 3.41Å; V69-A116 HydrophobicContact CG2-CB 4.17Å; V69-A116 PolarHBondContact N-O 2.81Å; V69-A116 PolarHBondContact O-N 3.47Å |
| 70 | E | 98.5 | Very high | 97.1 | Very high | 113 Ų | 113 | 45.1 Ų | 45.1 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.2 | 174.2 | -72.5 | -179 | -171.3 | 0 | 0 | 108.8 | F113 I114 R115 | E70-F113 HydrophobicContact CB-CE2 4.23Å; E70-F113 HydrophobicContact CG-CE2 4.33Å; E70-F113 HydrophobicContact CG-CZ 4.17Å; E70-I114 WeakPolarHBondContact CA-O 3.47Å; E70-R115 HydrophobicContact CG-CB 4.02Å; E70-R115 HydrophobicContact CG-CG 3.63Å; E70-R115 WeakPolarHBondContact OE1-CD 3.22Å |
| 71 | A | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L79 H82 F83 E86 I114 | A71-L79 HydrophobicContact CB-CD1 4.35Å; A71-L79 WeakPolarHBondContact O-CD1 3.31Å; A71-H82 HydrophobicContact CB-CB 3.92Å; A71-F83 HydrophobicContact CB-CB 4.3Å; A71-E86 HydrophobicContact CB-CG 4.31Å; A71-I114 HydrophobicContact CB-CG2 3.81Å; A71-I114 PolarHBondContact N-O 3.21Å; A71-I114 PolarHBondContact O-N 2.81Å |
| 72 | I | 98.6 | Very high | 97.5 | Very high | 115 Ų | 115 | 48 Ų | 48 | 59% | 0.59 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.6 | 175.2 | -65 | 167.2 | 0 | 0 | 0 | 108 | H82 F112 F113 | I72-H82 PolarHBondContact O-ND1 3.03Å; I72-F112 CarbonylContact C-O 3.49Å; I72-F112 WeakPolarHBondContact CA-O 3.32Å; I72-F113 HydrophobicContact CD1-CD2 4.39Å; I72-F113 HydrophobicContact CG1-CD2 3.7Å; I72-F113 HydrophobicContact CG1-CE2 4.43Å |
| 73 | G | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | trans | -114.8 | 171.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | F112 | G73-F112 PolarHBondContact N-O 3.08Å; G73-F112 WeakPolarHBondContact O-CB 3.11Å | ||
| 74 | D | 97.8 | Very high | 97.8 | Very high | 148 Ų | 148 | 43.3 Ų | 43.3 | 79% | 0.791 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -91.5 | -18.3 | 166.4 | -66.7 | -49.6 | 0 | 0 | 0 | 111.7 | S78 F112 | D74-S78 PolarHBondContact N-OG 3.44Å; D74-F112 WeakPolarHBondContact O-CD2 3.37Å; D74-F112 WeakPolarHBondContact O-CE2 3.31Å |
| 75 | D | 98 | Very high | 98 | Very high | 74 Ų | 74 | 40.7 Ų | 40.7 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -154.6 | -178.3 | 175.4 | 61.6 | 24.6 | 0 | 0 | 0 | 110.2 | I77 S78 L79 F112 | D75-I77 VanDerWaalsContact C-N 3.3Å; D75-I77 PolarHBondContact O-N 3.21Å; D75-I77 PolarHBondContact OD1-N 3.24Å; D75-I77 VanDerWaalsContact OD1-N 3.13Å; D75-S78 PolarHBondContact N-OG 2.72Å; D75-S78 PolarHBondContact O-OG 2.89Å; D75-S78 WeakPolarHBondContact OD1-CB 3Å; D75-S78 PolarHBondContact OD1-N 2.88Å; D75-S78 PolarHBondContact OD1-OG 2.95Å; D75-L79 WeakPolarHBondContact O-CB 3.37Å; D75-L79 PolarHBondContact O-N 3.25Å; D75-F112 HydrophobicContact CB-CZ 4.46Å |
| 76 | M | 97.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 43 Ų | 43 | 16% | 0.163 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -29.2 | -177.8 | -166.5 | 58.3 | 63.5 | 0 | 0 | 113.5 | L40 F44 L79 L80 F107 K109 F112 V144 | L40-M76 HydrophobicContact CD2-CE 4.02Å; L40-M76 HydrophobicContact CD2-CG 4.22Å; L40-M76 HydrophobicContact CD2-SD 3.79Å; F44-M76 HydrophobicContact CE2-SD 4.2Å; F44-M76 HydrophobicContact CZ-CG 4.45Å; F44-M76 HydrophobicContact CZ-SD 3.76Å; M76-L79 HydrophobicContact SD-CD2 4.06Å; M76-L80 PolarHBondContact O-N 3.14Å; M76-L80 VanDerWaalsContact O-N 3.09Å; M76-F107 HydrophobicContact CE-CZ 4.1Å; M76-F107 HydrophobicContact SD-CE2 4.36Å; M76-F107 HydrophobicContact SD-CZ 3.84Å; M76-K109 HydrophobicContact CE-CB 4.15Å; M76-K109 HydrophobicContact CE-CG 3.93Å; M76-F112 HydrophobicContact CB-CE1 4.4Å; M76-F112 HydrophobicContact CE-CD1 4.29Å; M76-F112 HydrophobicContact CE-CE1 4.39Å; M76-V144 HydrophobicContact CG-CB 4.12Å; M76-V144 HydrophobicContact CG-CG1 3.58Å; M76-V144 HydrophobicContact CG-CG2 4.18Å |
| 77 | I | 98.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72.8 | -48.2 | -179.7 | -64.5 | -68.2 | 0 | 0 | 0 | 109.5 | D75 L79 L80 Y81 Y139 M142 V144 | D75-I77 VanDerWaalsContact C-N 3.3Å; D75-I77 PolarHBondContact O-N 3.21Å; D75-I77 PolarHBondContact OD1-N 3.24Å; D75-I77 VanDerWaalsContact OD1-N 3.13Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.25Å; I77-L80 WeakPolarHBondContact O-CB 3.14Å; I77-L80 PolarHBondContact O-N 2.64Å; I77-Y81 PolarHBondContact O-N 3.11Å; I77-Y139 HydrophobicContact CG2-CD1 3.84Å; I77-Y139 HydrophobicContact CG2-CE1 3.99Å; I77-M142 HydrophobicContact CD1-CG 4.24Å; I77-M142 HydrophobicContact CG2-CB 4.22Å; I77-M142 HydrophobicContact CG2-CG 4.06Å; I77-M142 HydrophobicContact CG2-SD 3.65Å; I77-V144 HydrophobicContact CD1-CB 4.14Å; I77-V144 HydrophobicContact CD1-CG2 3.82Å |
| 78 | S | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -34.3 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | D74 D75 Y81 H82 | D74-S78 PolarHBondContact N-OG 3.44Å; D75-S78 PolarHBondContact N-OG 2.72Å; D75-S78 PolarHBondContact O-OG 2.89Å; D75-S78 WeakPolarHBondContact OD1-CB 3Å; D75-S78 PolarHBondContact OD1-N 2.88Å; D75-S78 PolarHBondContact OD1-OG 2.95Å; S78-Y81 PolarHBondContact O-N 3.4Å; S78-H82 PolarHBondContact O-N 3.36Å; S78-H82 PolarHBondContact O-ND1 2.89Å |
| 79 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 171.8 | -178.5 | 58 | 0 | 0 | 0 | 111.7 | F44 A71 D75 M76 I77 F83 F107 F112 I114 | F44-L79 HydrophobicContact CE1-CG 4.2Å; A71-L79 HydrophobicContact CB-CD1 4.35Å; A71-L79 WeakPolarHBondContact O-CD1 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.37Å; D75-L79 PolarHBondContact O-N 3.25Å; M76-L79 HydrophobicContact SD-CD2 4.06Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.25Å; L79-F83 WeakPolarHBondContact O-CB 3.49Å; L79-F83 PolarHBondContact O-N 3.42Å; L79-F107 HydrophobicContact CD2-CD2 4.41Å; L79-F107 HydrophobicContact CD2-CE2 3.75Å; L79-F112 HydrophobicContact CB-CB 4.47Å; L79-F112 VanDerWaalsContact CD1-O 3.31Å; L79-F112 WeakPolarHBondContact CD1-O 3.45Å; L79-F112 HydrophobicContact CD2-CB 4.38Å; L79-I114 HydrophobicContact CD1-CB 4.03Å; L79-I114 HydrophobicContact CD1-CG2 3.55Å; L79-I114 HydrophobicContact CD2-CB 4.45Å; L79-I114 HydrophobicContact CG-CB 4.5Å; L79-I114 HydrophobicContact CG-CG2 4.25Å |
| 80 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 176 | 177.1 | 58.1 | 0 | 0 | 0 | 111.8 | F44 V47 M76 I77 F83 L84 M142 V144 V153 V155 | F44-L80 HydrophobicContact CD1-CD1 4.07Å; F44-L80 HydrophobicContact CD2-CD1 4.43Å; F44-L80 HydrophobicContact CE1-CB 3.89Å; F44-L80 HydrophobicContact CE1-CD1 3.92Å; F44-L80 HydrophobicContact CE2-CB 4.48Å; F44-L80 HydrophobicContact CE2-CD1 4.27Å; F44-L80 HydrophobicContact CG-CD1 4.35Å; F44-L80 HydrophobicContact CZ-CB 3.68Å; F44-L80 HydrophobicContact CZ-CD1 4.03Å; F44-L80 HydrophobicContact CZ-CG 4.37Å; V47-L80 HydrophobicContact CG1-CD1 3.94Å; M76-L80 PolarHBondContact O-N 3.14Å; M76-L80 VanDerWaalsContact O-N 3.09Å; I77-L80 WeakPolarHBondContact O-CB 3.14Å; I77-L80 PolarHBondContact O-N 2.64Å; L80-F83 PolarHBondContact O-N 3.1Å; L80-L84 HydrophobicContact CD1-CD1 4.1Å; L80-L84 HydrophobicContact CD1-CG 4.31Å; L80-L84 PolarHBondContact O-N 3.38Å; L80-L84 VanDerWaalsContact O-N 3.15Å; L80-M142 HydrophobicContact CB-SD 4.07Å; L80-M142 HydrophobicContact CD2-CG 4.02Å; L80-M142 HydrophobicContact CD2-SD 3.92Å; L80-M142 HydrophobicContact CG-SD 4.03Å; L80-V144 HydrophobicContact CB-CG2 4.38Å; L80-V144 HydrophobicContact CD2-CG2 3.63Å; L80-V153 HydrophobicContact CD2-CB 3.86Å; L80-V153 HydrophobicContact CD2-CG1 4.03Å; L80-V155 HydrophobicContact CD1-CG2 4.36Å; L80-V155 HydrophobicContact CD2-CG2 3.57Å; L80-V155 HydrophobicContact CG-CG2 3.99Å |
| 81 | Y | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -57.2 | 175.5 | 178.5 | -79.5 | 0 | 0 | 0 | 111.1 | I77 S78 F83 L84 D85 I137 Y139 M142 | I77-Y81 PolarHBondContact O-N 3.11Å; S78-Y81 PolarHBondContact O-N 3.4Å; Y81-F83 VanDerWaalsContact C-N 3.29Å; Y81-F83 PolarHBondContact O-N 2.92Å; Y81-L84 PolarHBondContact O-N 2.81Å; Y81-D85 HydrophobicContact CE1-CB 4.22Å; Y81-D85 WeakPolarHBondContact O-CB 3.27Å; Y81-D85 PolarHBondContact O-N 3.11Å; Y81-I137 HydrophobicContact CD2-CB 4.2Å; Y81-I137 HydrophobicContact CD2-CG2 3.86Å; Y81-I137 HydrophobicContact CE2-CB 4.06Å; Y81-I137 HydrophobicContact CE2-CG2 4.22Å; Y81-I137 VanDerWaalsContact CE2-O 3.24Å; Y81-I137 WeakPolarHBondContact CE2-O 3.24Å; Y81-I137 HydrophobicContact CG-CG2 4.44Å; Y81-Y139 AromaticContact CD1-CE2 3.94Å; Y81-Y139 HydrophobicContact CD1-CE2 3.94Å; Y81-Y139 AromaticContact CD1-CZ 3.93Å; Y81-Y139 HydrophobicContact CD2-CD1 4.39Å; Y81-Y139 AromaticContact CD2-CD2 3.57Å; Y81-Y139 HydrophobicContact CD2-CD2 3.57Å; Y81-Y139 HydrophobicContact CD2-CE1 4.19Å; Y81-Y139 AromaticContact CD2-CE2 3.3Å; Y81-Y139 HydrophobicContact CD2-CE2 3.3Å; Y81-Y139 HydrophobicContact CD2-CG 4.11Å; Y81-Y139 AromaticContact CD2-CZ 3.65Å; Y81-Y139 HydrophobicContact CE1-CE2 4.21Å; Y81-Y139 AromaticContact CE2-CD2 3.71Å; Y81-Y139 HydrophobicContact CE2-CD2 3.71Å; Y81-Y139 AromaticContact CE2-CE2 3.54Å; Y81-Y139 HydrophobicContact CE2-CE2 3.54Å; Y81-Y139 HydrophobicContact CG-CD2 4.24Å; Y81-Y139 HydrophobicContact CG-CE1 4.07Å; Y81-Y139 AromaticContact CG-CE2 3.53Å; Y81-Y139 HydrophobicContact CG-CE2 3.53Å; Y81-Y139 AromaticContact CG-CZ 3.43Å; Y81-Y139 VanDerWaalsContact CG-CZ 3.43Å; Y81-M142 HydrophobicContact CD2-CE 4.13Å |
| 82 | H | 98.5 | Very high | 97.8 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -35.2 | -176.7 | -65.2 | 149.9 | 0 | 0 | 0 | 111.6 | A71 I72 S78 L84 D85 E86 | A71-H82 HydrophobicContact CB-CB 3.92Å; I72-H82 PolarHBondContact O-ND1 3.03Å; S78-H82 PolarHBondContact O-N 3.36Å; S78-H82 PolarHBondContact O-ND1 2.89Å; H82-L84 PolarHBondContact O-N 3.29Å; H82-D85 PolarHBondContact O-N 3.33Å; H82-E86 WeakPolarHBondContact O-CB 3.36Å; H82-E86 VanDerWaalsContact O-CG 3.27Å; H82-E86 WeakPolarHBondContact O-CG 3.39Å; H82-E86 PolarHBondContact O-N 3Å |
| 83 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 175 | 172.4 | -106.4 | 0 | 0 | 0 | 112.8 | F44 V69 A71 L79 L80 Y81 W87 I102 I114 A116 | F44-F83 HydrophobicContact CB-CE1 4.21Å; F44-F83 HydrophobicContact CD1-CB 4.42Å; F44-F83 AromaticContact CD1-CD1 3.86Å; F44-F83 HydrophobicContact CD1-CD1 3.86Å; F44-F83 HydrophobicContact CD1-CE1 4.33Å; F44-F83 HydrophobicContact CD1-CG 4.11Å; F44-F83 VanDerWaalsContact O-CE1 3.26Å; F44-F83 WeakPolarHBondContact O-CE1 3.16Å; V69-F83 HydrophobicContact CG2-CD2 4.47Å; V69-F83 HydrophobicContact CG2-CE2 4.26Å; A71-F83 HydrophobicContact CB-CB 4.3Å; L79-F83 WeakPolarHBondContact O-CB 3.49Å; L79-F83 PolarHBondContact O-N 3.42Å; L80-F83 PolarHBondContact O-N 3.1Å; Y81-F83 VanDerWaalsContact C-N 3.29Å; Y81-F83 PolarHBondContact O-N 2.92Å; F83-W87 AromaticContact CD2-NE1 3.99Å; F83-W87 AromaticContact CE1-CD1 3.85Å; F83-W87 AromaticContact CE1-NE1 3.85Å; F83-W87 AromaticContact CE2-CD1 3.79Å; F83-W87 AromaticContact CE2-NE1 3.22Å; F83-W87 AromaticContact CZ-CD1 3.63Å; F83-W87 AromaticContact CZ-NE1 3.15Å; F83-W87 PolarHBondContact O-N 3.45Å; F83-I102 HydrophobicContact CZ-CG2 4.26Å; F83-I114 HydrophobicContact CB-CG2 4.12Å; F83-I114 HydrophobicContact CD2-CD1 3.82Å; F83-I114 HydrophobicContact CD2-CG1 4.35Å; F83-I114 HydrophobicContact CD2-CG2 3.74Å; F83-I114 HydrophobicContact CE2-CD1 3.94Å; F83-I114 HydrophobicContact CG-CD1 4.26Å; F83-I114 HydrophobicContact CG-CG2 4.28Å; F83-A116 HydrophobicContact CE2-CB 3.65Å; F83-A116 HydrophobicContact CZ-CB 4.31Å |
| 84 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.4 | -34.6 | 177.9 | -70.6 | 176.9 | 0 | 0 | 0 | 112.2 | V47 M51 L80 Y81 H82 W87 L88 I137 V155 | V47-L84 HydrophobicContact CG1-CD1 4.47Å; V47-L84 HydrophobicContact CG1-CD2 4.17Å; V47-L84 HydrophobicContact CG2-CD1 4.13Å; M51-L84 HydrophobicContact SD-CB 4.5Å; M51-L84 HydrophobicContact SD-CD2 4.3Å; L80-L84 HydrophobicContact CD1-CD1 4.1Å; L80-L84 HydrophobicContact CD1-CG 4.31Å; L80-L84 PolarHBondContact O-N 3.38Å; L80-L84 VanDerWaalsContact O-N 3.15Å; Y81-L84 PolarHBondContact O-N 2.81Å; H82-L84 PolarHBondContact O-N 3.29Å; L84-W87 WeakPolarHBondContact O-CB 3.39Å; L84-W87 PolarHBondContact O-N 3.34Å; L84-L88 WeakPolarHBondContact O-CB 3.34Å; L84-L88 PolarHBondContact O-N 3.05Å; L84-I137 HydrophobicContact CB-CD1 3.82Å; L84-I137 HydrophobicContact CB-CG1 3.8Å; L84-I137 HydrophobicContact CB-CG2 4.17Å; L84-I137 HydrophobicContact CD1-CG2 4.31Å; L84-V155 HydrophobicContact CD1-CB 4.2Å; L84-V155 HydrophobicContact CD1-CG1 3.82Å; L84-V155 HydrophobicContact CD1-CG2 3.84Å |
| 85 | D | 98.1 | Very high | 96.7 | Very high | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -39.8 | 178 | -159.2 | 41.7 | 0 | 0 | 0 | 111.7 | Y81 H82 W87 L88 Y89 I137 | Y81-D85 HydrophobicContact CE1-CB 4.22Å; Y81-D85 WeakPolarHBondContact O-CB 3.27Å; Y81-D85 PolarHBondContact O-N 3.11Å; H82-D85 PolarHBondContact O-N 3.33Å; D85-W87 PolarHBondContact O-N 3.37Å; D85-L88 PolarHBondContact O-N 2.92Å; D85-Y89 WeakPolarHBondContact O-CB 3.46Å; D85-Y89 PolarHBondContact O-N 2.91Å; D85-I137 HydrophobicContact CB-CG1 4.44Å |
| 86 | E | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 173.2 | -72.2 | -67.5 | 159.6 | 0 | 0 | 112.2 | V69 A71 H82 Y89 A90 | V69-E86 HydrophobicContact CB-CB 4.14Å; V69-E86 HydrophobicContact CG1-CB 4.37Å; A71-E86 HydrophobicContact CB-CG 4.31Å; H82-E86 WeakPolarHBondContact O-CB 3.36Å; H82-E86 VanDerWaalsContact O-CG 3.27Å; H82-E86 WeakPolarHBondContact O-CG 3.39Å; H82-E86 PolarHBondContact O-N 3Å; E86-Y89 PolarHBondContact O-N 3.35Å; E86-A90 PolarHBondContact O-N 2.84Å |
| 87 | W | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 172.9 | -84.3 | 120.4 | 0 | 0 | 0 | 112.3 | M51 F52 Y67 V69 F83 L84 D85 Y89 A90 F91 F97 P99 I102 A116 G118 | M51-W87 HydrophobicContact CE-CB 3.84Å; F52-W87 HydrophobicContact CE2-CB 3.85Å; F52-W87 HydrophobicContact CE2-CD2 4.25Å; F52-W87 HydrophobicContact CE2-CE3 4.08Å; F52-W87 HydrophobicContact CE2-CG 4.18Å; F52-W87 HydrophobicContact CZ-CB 4.27Å; F52-W87 HydrophobicContact CZ-CE3 4.42Å; F52-W87 WeakPolarHBondContact CZ-O 3.45Å; Y67-W87 HydrophobicContact CD1-CZ3 4.43Å; V69-W87 HydrophobicContact CB-CZ2 4.48Å; V69-W87 HydrophobicContact CG1-CD2 4.05Å; V69-W87 HydrophobicContact CG1-CE3 3.95Å; V69-W87 HydrophobicContact CG1-CH2 4.03Å; V69-W87 HydrophobicContact CG1-CZ2 4.21Å; V69-W87 HydrophobicContact CG1-CZ3 3.92Å; V69-W87 HydrophobicContact CG2-CD2 4.05Å; V69-W87 VanDerWaalsContact CG2-CE2 3.42Å; V69-W87 HydrophobicContact CG2-CG 4.46Å; V69-W87 HydrophobicContact CG2-CH2 4.12Å; V69-W87 HydrophobicContact CG2-CZ2 3.5Å; V69-W87 VanDerWaalsContact CG2-CZ2 3.5Å; F83-W87 AromaticContact CD2-NE1 3.99Å; F83-W87 AromaticContact CE1-CD1 3.85Å; F83-W87 AromaticContact CE1-NE1 3.85Å; F83-W87 AromaticContact CE2-CD1 3.79Å; F83-W87 AromaticContact CE2-NE1 3.22Å; F83-W87 AromaticContact CZ-CD1 3.63Å; F83-W87 AromaticContact CZ-NE1 3.15Å; F83-W87 PolarHBondContact O-N 3.45Å; L84-W87 WeakPolarHBondContact O-CB 3.39Å; L84-W87 PolarHBondContact O-N 3.34Å; D85-W87 PolarHBondContact O-N 3.37Å; W87-Y89 VanDerWaalsContact C-N 3.28Å; W87-Y89 PolarHBondContact O-N 3.07Å; W87-A90 PolarHBondContact O-N 3.17Å; W87-F91 PolarHBondContact O-N 2.96Å; W87-F97 HydrophobicContact CE3-CD1 4.5Å; W87-F97 HydrophobicContact CH2-CE1 4.37Å; W87-F97 AromaticContact CZ3-CD1 3.85Å; W87-F97 HydrophobicContact CZ3-CD1 3.85Å; W87-F97 AromaticContact CZ3-CE1 3.71Å; W87-F97 HydrophobicContact CZ3-CE1 3.71Å; W87-P99 HydrophobicContact CE3-CG 3.98Å; W87-P99 HydrophobicContact CZ3-CB 4.35Å; W87-P99 HydrophobicContact CZ3-CG 4.06Å; W87-I102 HydrophobicContact CD2-CD1 4.09Å; W87-I102 HydrophobicContact CG-CD1 4.47Å; W87-I102 HydrophobicContact CH2-CG1 4.45Å; W87-I102 HydrophobicContact CZ2-CD1 4.08Å; W87-I102 HydrophobicContact CZ2-CG1 3.97Å; W87-I102 HydrophobicContact CZ2-CG2 3.81Å; W87-A116 HydrophobicContact CZ2-CB 4.23Å; W87-G118 VanDerWaalsContact CH2-N 3.33Å |
| 88 | L | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.7 | -177.8 | 60.8 | 0 | 0 | 0 | 111.2 | M51 M55 L84 D85 F91 S92 V134 I137 | M51-L88 HydrophobicContact CE-CB 4.37Å; M55-L88 HydrophobicContact CE-CD1 4.21Å; L84-L88 WeakPolarHBondContact O-CB 3.34Å; L84-L88 PolarHBondContact O-N 3.05Å; D85-L88 PolarHBondContact O-N 2.92Å; L88-F91 WeakPolarHBondContact O-CB 3.49Å; L88-F91 PolarHBondContact O-N 3.43Å; L88-S92 VanDerWaalsContact O-CB 3.32Å; L88-S92 WeakPolarHBondContact O-CB 3.26Å; L88-S92 PolarHBondContact O-N 2.84Å; L88-S92 PolarHBondContact O-OG 2.77Å; L88-V134 HydrophobicContact CD1-CB 4.14Å; L88-V134 HydrophobicContact CD1-CG1 4.08Å; L88-V134 HydrophobicContact CD2-CG1 4.19Å; L88-I137 HydrophobicContact CD2-CD1 4.29Å; L88-I137 HydrophobicContact CD2-CG1 4.36Å |
| 89 | Y | 96.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 39.8 Ų | 39.8 | 57% | 0.565 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.3 | -44.1 | 174.2 | 179.8 | -100.7 | 0 | 0 | 0 | 111.9 | D85 E86 W87 F91 S92 A93 | D85-Y89 WeakPolarHBondContact O-CB 3.46Å; D85-Y89 PolarHBondContact O-N 2.91Å; E86-Y89 PolarHBondContact O-N 3.35Å; W87-Y89 VanDerWaalsContact C-N 3.28Å; W87-Y89 PolarHBondContact O-N 3.07Å; Y89-F91 PolarHBondContact O-N 3.47Å; Y89-S92 PolarHBondContact O-N 3.23Å; Y89-A93 HydrophobicContact CE1-CB 4.4Å; Y89-A93 HydrophobicContact CE2-CB 4.17Å; Y89-A93 PolarHBondContact O-N 3.37Å |
| 90 | A | 96.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -28.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y67 E86 W87 F97 | Y67-A90 HydrophobicContact CD1-CB 4.1Å; Y67-A90 HydrophobicContact CE1-CB 3.68Å; E86-A90 PolarHBondContact O-N 2.84Å; W87-A90 PolarHBondContact O-N 3.17Å; A90-F97 HydrophobicContact CB-CB 4.5Å; A90-F97 PolarHBondContact O-N 3.02Å |
| 91 | F | 96.4 | Very high | 96.3 | Very high | 36 Ų | 36 | 44 Ų | 44 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.3 | -34.9 | 171.9 | 179.9 | -108.3 | 0 | 0 | 0 | 113.9 | F52 M55 W87 L88 Y89 F96 V98 F123 | F52-F91 HydrophobicContact CE1-CB 3.71Å; F52-F91 HydrophobicContact CE1-CD2 4.07Å; F52-F91 AromaticContact CE1-CG 3.99Å; F52-F91 HydrophobicContact CE1-CG 3.99Å; F52-F91 HydrophobicContact CZ-CB 4.11Å; M55-F91 HydrophobicContact SD-CD1 3.72Å; M55-F91 HydrophobicContact SD-CE1 3.69Å; M55-F91 HydrophobicContact SD-CG 4.31Å; M55-F91 HydrophobicContact SD-CZ 4.26Å; W87-F91 PolarHBondContact O-N 2.96Å; L88-F91 WeakPolarHBondContact O-CB 3.49Å; L88-F91 PolarHBondContact O-N 3.43Å; Y89-F91 PolarHBondContact O-N 3.47Å; F91-F96 VanDerWaalsContact O-CA 3.31Å; F91-F96 WeakPolarHBondContact O-CA 3.23Å; F91-F96 VanDerWaalsContact O-CD1 3.25Å; F91-F96 WeakPolarHBondContact O-CD1 3.37Å; F91-V98 HydrophobicContact CD2-CG2 3.6Å; F91-V98 HydrophobicContact CE2-CG2 3.59Å; F91-F123 HydrophobicContact CE2-CB 3.89Å; F91-F123 HydrophobicContact CE2-CD2 4.06Å; F91-F123 AromaticContact CE2-CG 3.94Å; F91-F123 HydrophobicContact CE2-CG 3.94Å; F91-F123 HydrophobicContact CZ-CG 4.44Å |
| 92 | S | 93.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 42 Ų | 42 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.6 | -23.9 | -172.3 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | L88 Y89 | L88-S92 VanDerWaalsContact O-CB 3.32Å; L88-S92 WeakPolarHBondContact O-CB 3.26Å; L88-S92 PolarHBondContact O-N 2.84Å; L88-S92 PolarHBondContact O-OG 2.77Å; Y89-S92 PolarHBondContact O-N 3.23Å |
| 93 | A | 91.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -107.2 | 160.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y89 F96 | Y89-A93 HydrophobicContact CE1-CB 4.4Å; Y89-A93 HydrophobicContact CE2-CB 4.17Å; Y89-A93 PolarHBondContact O-N 3.37Å; A93-F96 WeakPolarHBondContact O-CA 3.37Å; A93-F96 PolarHBondContact O-N 2.98Å |
| 94 | E | 87.6 | Confident | 96.1 | Very high | 171 Ų | 171 | 42.9 Ų | 42.9 | 80% | 0.799 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 128.3 | 169.9 | -75 | -176.9 | -171.4 | 0 | 0 | 109.5 | F96 | E94-F96 HydrophobicContact CG-CD2 4.38Å; E94-F96 HydrophobicContact CG-CE2 3.68Å; E94-F96 HydrophobicContact CG-CZ 4.15Å |
| 95 | P | 93.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 16% | 0.156 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.5 | 18.5 | 22.2 | 40.7 | -39.4 | 0 | 0 | 0 | 115.8 | F8 Y67 F97 S122 | F8-P95 HydrophobicContact CE1-CG 4.01Å; F8-P95 HydrophobicContact CZ-CB 4.1Å; F8-P95 HydrophobicContact CZ-CG 3.92Å; Y67-P95 HydrophobicContact CE2-CG 4.38Å; P95-F97 HydrophobicContact CG-CB 4.26Å; P95-S122 WeakPolarHBondContact O-CB 3.44Å; P95-S122 PolarHBondContact O-OG 2.96Å |
| 96 | F | 95.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 47.7 Ų | 47.7 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | trans | 57.3 | 49.5 | -173.7 | -49.9 | -80.8 | 0 | 0 | 0 | 112.2 | F91 A93 E94 S122 F123 | F91-F96 VanDerWaalsContact O-CA 3.31Å; F91-F96 WeakPolarHBondContact O-CA 3.23Å; F91-F96 VanDerWaalsContact O-CD1 3.25Å; F91-F96 WeakPolarHBondContact O-CD1 3.37Å; A93-F96 WeakPolarHBondContact O-CA 3.37Å; A93-F96 PolarHBondContact O-N 2.98Å; E94-F96 HydrophobicContact CG-CD2 4.38Å; E94-F96 HydrophobicContact CG-CE2 3.68Å; E94-F96 HydrophobicContact CG-CZ 4.15Å; F96-S122 CarbonylContact O-C 3.6Å; F96-F123 HydrophobicContact CB-CB 4.18Å; F96-F123 WeakPolarHBondContact O-CB 3.4Å; F96-F123 PolarHBondContact O-N 3.2Å | ||
| 97 | F | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.7 | -170.4 | -177.1 | -115.6 | 0 | 0 | 0 | 112.5 | Y65 Y67 W87 A90 P95 P99 | Y65-F97 HydrophobicContact CD2-CD2 4.02Å; Y65-F97 AromaticContact CD2-CE2 3.65Å; Y65-F97 HydrophobicContact CD2-CE2 3.65Å; Y65-F97 AromaticContact CE2-CD2 3.12Å; Y65-F97 HydrophobicContact CE2-CD2 3.12Å; Y65-F97 AromaticContact CE2-CE2 3.25Å; Y65-F97 HydrophobicContact CE2-CE2 3.25Å; Y65-F97 HydrophobicContact CE2-CG 4.19Å; Y65-F97 HydrophobicContact CE2-CZ 4.41Å; Y65-F97 AromaticContact CZ-CD2 3.53Å; Y65-F97 AromaticContact CZ-CE2 3.92Å; Y65-F97 WeakPolarHBondContact OH-CD2 3.33Å; Y67-F97 VanDerWaalsContact CB-CD1 3.48Å; Y67-F97 HydrophobicContact CD1-CD1 4.48Å; Y67-F97 HydrophobicContact CD2-CB 4.47Å; Y67-F97 HydrophobicContact CD2-CG 4.44Å; Y67-F97 AromaticContact CG-CD1 3.99Å; Y67-F97 HydrophobicContact CG-CD1 3.99Å; Y67-F97 HydrophobicContact CG-CE1 4.34Å; Y67-F97 HydrophobicContact CG-CG 4.24Å; W87-F97 HydrophobicContact CE3-CD1 4.5Å; W87-F97 HydrophobicContact CH2-CE1 4.37Å; W87-F97 AromaticContact CZ3-CD1 3.85Å; W87-F97 HydrophobicContact CZ3-CD1 3.85Å; W87-F97 AromaticContact CZ3-CE1 3.71Å; W87-F97 HydrophobicContact CZ3-CE1 3.71Å; A90-F97 HydrophobicContact CB-CB 4.5Å; A90-F97 PolarHBondContact O-N 3.02Å; P95-F97 HydrophobicContact CG-CB 4.26Å; F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 3.7Å; F97-P99 HydrophobicContact CE1-CG 4.19Å; F97-P99 HydrophobicContact CZ-CB 4.24Å |
| 98 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 107 | 172 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | F52 T56 L58 V61 F91 K100 G120 E121 F123 | F52-V98 HydrophobicContact CD1-CG1 4.01Å; T56-V98 HydrophobicContact CG2-CG1 3.84Å; L58-V98 HydrophobicContact CD2-CG1 3.79Å; V61-V98 HydrophobicContact CG1-CB 4.46Å; V61-V98 HydrophobicContact CG1-CG1 4.26Å; V61-V98 WeakPolarHBondContact CG1-O 3.39Å; V61-V98 HydrophobicContact CG2-CG1 3.86Å; F91-V98 HydrophobicContact CD2-CG2 3.6Å; F91-V98 HydrophobicContact CE2-CG2 3.59Å; V98-K100 PolarHBondContact O-N 2.86Å; V98-G120 VanDerWaalsContact O-CA 3.3Å; V98-G120 WeakPolarHBondContact O-CA 3.46Å; V98-E121 PolarHBondContact N-O 3.47Å; V98-E121 PolarHBondContact O-N 3.09Å; V98-F123 HydrophobicContact CG2-CB 3.89Å; V98-F123 HydrophobicContact CG2-CD2 3.95Å; V98-F123 HydrophobicContact CG2-CG 4.38Å |
| 99 | P | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.3 | 173.4 | 28.8 | -31.1 | 0 | 0 | 0 | 110.9 | F52 W87 F97 I102 W119 | F52-P99 HydrophobicContact CD1-CG 4.49Å; F52-P99 HydrophobicContact CD2-CG 3.32Å; F52-P99 HydrophobicContact CE1-CG 4.44Å; F52-P99 HydrophobicContact CE2-CG 3.26Å; F52-P99 HydrophobicContact CG-CG 3.96Å; F52-P99 HydrophobicContact CZ-CG 3.87Å; W87-P99 HydrophobicContact CE3-CG 3.98Å; W87-P99 HydrophobicContact CZ3-CB 4.35Å; W87-P99 HydrophobicContact CZ3-CG 4.06Å; F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 3.7Å; F97-P99 HydrophobicContact CE1-CG 4.19Å; F97-P99 HydrophobicContact CZ-CB 4.24Å; P99-I102 HydrophobicContact CB-CD1 4.31Å; P99-I102 HydrophobicContact CB-CG1 3.81Å; P99-I102 HydrophobicContact CG-CD1 3.9Å; P99-I102 HydrophobicContact CG-CG1 3.98Å; P99-W119 CarbonylContact C-O 3.56Å |
| 100 | K | 95.9 | Very high | 96 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -33.7 | 164.6 | -171 | -175.2 | -164.6 | 137.7 | 0 | 111.9 | V61 V98 W119 | V61-K100 HydrophobicContact CB-CB 4.39Å; V61-K100 HydrophobicContact CG1-CB 4.05Å; V61-K100 VanDerWaalsContact O-CD 3.24Å; V61-K100 WeakPolarHBondContact O-CD 3.49Å; V61-K100 WeakPolarHBondContact O-CE 3.47Å; V61-K100 PolarHBondContact O-NZ 2.88Å; V98-K100 PolarHBondContact O-N 2.86Å; K100-W119 WeakPolarHBondContact CA-O 3.5Å; K100-W119 WeakPolarHBondContact CB-O 3.34Å; K100-W119 PolarHBondContact N-O 3.27Å |
| 101 | A | 97.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.7 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | G118 W119 | A101-G118 CarbonylContact O-C 3.54Å; A101-G118 WeakPolarHBondContact O-CA 3.31Å; A101-W119 HydrophobicContact CB-CE3 4.46Å; A101-W119 PolarHBondContact N-O 2.73Å; A101-W119 PolarHBondContact O-N 2.79Å |
| 102 | I | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.8 | 177.1 | -62.8 | 171.4 | 0 | 0 | 0 | 108.8 | E45 V49 F83 W87 P99 A116 R117 | E45-I102 HydrophobicContact CG-CG2 4.39Å; V49-I102 HydrophobicContact CG2-CB 4.18Å; V49-I102 HydrophobicContact CG2-CD1 4.21Å; V49-I102 HydrophobicContact CG2-CG1 4.12Å; F83-I102 HydrophobicContact CZ-CG2 4.26Å; W87-I102 HydrophobicContact CD2-CD1 4.09Å; W87-I102 HydrophobicContact CG-CD1 4.47Å; W87-I102 HydrophobicContact CH2-CG1 4.45Å; W87-I102 HydrophobicContact CZ2-CD1 4.08Å; W87-I102 HydrophobicContact CZ2-CG1 3.97Å; W87-I102 HydrophobicContact CZ2-CG2 3.81Å; P99-I102 HydrophobicContact CB-CD1 4.31Å; P99-I102 HydrophobicContact CB-CG1 3.81Å; P99-I102 HydrophobicContact CG-CD1 3.9Å; P99-I102 HydrophobicContact CG-CG1 3.98Å; I102-A116 HydrophobicContact CG2-CB 4.14Å; I102-R117 CarbonylContact C-O 3.57Å; I102-R117 VanDerWaalsContact CA-O 3.32Å; I102-R117 WeakPolarHBondContact CA-O 3.33Å |
| 103 | R | 97.5 | Very high | 96.4 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.3 | 169.9 | -67.2 | -62.7 | -173.8 | -151.5 | 2.3 | 111.7 | P15 E45 L105 A116 R117 W119 | P15-R103 HydrophobicContact CG-CG 3.62Å; E45-R103 VanDerWaalsContact OE1-CA 3.31Å; E45-R103 WeakPolarHBondContact OE1-CA 3.46Å; E45-R103 WeakPolarHBondContact OE2-CD 3.32Å; E45-R103 IonicContact OE2-CZ 2.73Å; E45-R103 IonicContact OE2-NE 2.63Å; E45-R103 IonicContact OE2-NH1 3.18Å; E45-R103 PolarHBondContact OE2-NH1 2.88Å; R103-L105 PolarHBondContact O-N 3.45Å; R103-A116 CarbonylContact O-C 3.59Å; R103-A116 WeakPolarHBondContact O-CA 3.32Å; R103-A116 WeakPolarHBondContact O-CB 3.38Å; R103-R117 PolarHBondContact N-O 3.41Å; R103-R117 PolarHBondContact O-N 3.27Å; R103-W119 HydrophobicContact CB-CH2 3.74Å; R103-W119 HydrophobicContact CB-CZ3 3.6Å; R103-W119 HydrophobicContact CG-CH2 3.8Å; R103-W119 HydrophobicContact CG-CZ3 3.56Å |
| 104 | V | 98 | Very high | 96.8 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.5 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | K41 E45 E106 F107 I114 A116 | K41-V104 HydrophobicContact CB-CB 4.06Å; K41-V104 HydrophobicContact CB-CG1 4.23Å; K41-V104 HydrophobicContact CB-CG2 4.31Å; K41-V104 HydrophobicContact CD-CB 4.48Å; K41-V104 HydrophobicContact CD-CG1 4.04Å; K41-V104 HydrophobicContact CG-CB 4.39Å; K41-V104 HydrophobicContact CG-CG1 4.01Å; E45-V104 HydrophobicContact CG-CB 4.35Å; E45-V104 HydrophobicContact CG-CG2 3.7Å; E45-V104 PolarHBondContact OE1-N 3.17Å; V104-E106 VanDerWaalsContact CG1-O 3.31Å; V104-E106 WeakPolarHBondContact CG1-O 3.45Å; V104-F107 HydrophobicContact CG1-CB 3.78Å; V104-F107 HydrophobicContact CG1-CG 4.41Å; V104-I114 HydrophobicContact CG1-CD1 4.26Å; V104-I114 HydrophobicContact CG1-CG1 3.92Å; V104-I114 HydrophobicContact CG2-CD1 3.79Å; V104-I114 HydrophobicContact CG2-CG1 4.18Å; V104-A116 HydrophobicContact CG2-CB 4.32Å |
| 105 | L | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -31.6 | 178 | -56.9 | -175 | 0 | 0 | 0 | 111.6 | R103 R115 R117 | R103-L105 PolarHBondContact O-N 3.45Å; L105-R115 VanDerWaalsContact CD1-NH1 3.3Å; L105-R115 PolarHBondContact N-O 2.89Å; L105-R117 HydrophobicContact CD1-CB 3.92Å; L105-R117 HydrophobicContact CD2-CB 4.25Å; L105-R117 HydrophobicContact CG-CB 4.11Å |
| 106 | E | 98.2 | Very high | 97.6 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137.1 | -177.9 | -166.7 | 167.1 | 176 | 0 | 0 | 110 | V104 F113 I114 R115 | V104-E106 VanDerWaalsContact CG1-O 3.31Å; V104-E106 WeakPolarHBondContact CG1-O 3.45Å; E106-F113 HydrophobicContact CB-CE1 4.17Å; E106-F113 HydrophobicContact CG-CD1 4.11Å; E106-F113 HydrophobicContact CG-CE1 3.89Å; E106-I114 WeakPolarHBondContact O-CA 3.34Å; E106-R115 HydrophobicContact CB-CB 3.94Å; E106-R115 PolarHBondContact N-O 3.29Å; E106-R115 VanDerWaalsContact N-O 3.11Å; E106-R115 PolarHBondContact O-N 3.47Å; E106-R115 IonicContact OE2-CZ 3.53Å; E106-R115 IonicContact OE2-NE 2.71Å; E106-R115 PolarHBondContact OE2-NE 3.32Å; E106-R115 IonicContact OE2-NH2 2.73Å; E106-R115 PolarHBondContact OE2-NH2 2.73Å |
| 107 | F | 98.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 103.2 | -178.9 | -166.5 | -129.5 | 0 | 0 | 0 | 110.3 | L40 K41 F44 M76 L79 V104 K109 F113 I114 | L40-F107 HydrophobicContact CB-CE1 4.15Å; L40-F107 HydrophobicContact CD2-CE1 3.9Å; L40-F107 HydrophobicContact CD2-CZ 3.82Å; L40-F107 HydrophobicContact CG-CE1 4.06Å; L40-F107 HydrophobicContact CG-CZ 4.03Å; K41-F107 HydrophobicContact CD-CB 3.86Å; K41-F107 HydrophobicContact CD-CD1 4.23Å; K41-F107 HydrophobicContact CD-CG 4.38Å; K41-F107 HydrophobicContact CG-CB 3.77Å; K41-F107 HydrophobicContact CG-CD1 3.42Å; K41-F107 VanDerWaalsContact CG-CD1 3.42Å; K41-F107 HydrophobicContact CG-CE1 4.1Å; K41-F107 HydrophobicContact CG-CG 3.74Å; F44-F107 HydrophobicContact CD1-CE2 4.46Å; F44-F107 HydrophobicContact CE1-CE2 4.29Å; F44-F107 HydrophobicContact CE2-CZ 4.34Å; F44-F107 HydrophobicContact CZ-CE2 4.43Å; F44-F107 HydrophobicContact CZ-CZ 4.38Å; M76-F107 HydrophobicContact CE-CZ 4.1Å; M76-F107 HydrophobicContact SD-CE2 4.36Å; M76-F107 HydrophobicContact SD-CZ 3.84Å; L79-F107 HydrophobicContact CD2-CD2 4.41Å; L79-F107 HydrophobicContact CD2-CE2 3.75Å; V104-F107 HydrophobicContact CG1-CB 3.78Å; V104-F107 HydrophobicContact CG1-CG 4.41Å; F107-K109 HydrophobicContact CD1-CG 4.03Å; F107-K109 HydrophobicContact CE1-CD 4.26Å; F107-K109 VanDerWaalsContact CE1-CE 3.46Å; F107-K109 HydrophobicContact CE1-CG 3.79Å; F107-K109 HydrophobicContact CZ-CG 4.43Å; F107-F113 WeakPolarHBondContact CA-O 3.27Å; F107-I114 HydrophobicContact CD2-CB 4Å; F107-I114 HydrophobicContact CD2-CD1 3.77Å; F107-I114 HydrophobicContact CD2-CG1 3.77Å; F107-I114 HydrophobicContact CE2-CB 4.44Å; F107-I114 HydrophobicContact CE2-CD1 3.88Å; F107-I114 HydrophobicContact CE2-CG1 4.33Å |
| 108 | D | 97.9 | Very high | 97.7 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 105.1 | 177.3 | -169.5 | -29.3 | 0 | 0 | 0 | 109.6 | Q110 Q111 F112 F113 | D108-Q110 VanDerWaalsContact C-N 3.27Å; D108-Q110 PolarHBondContact O-N 3.32Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.16Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.32Å; D108-Q110 PolarHBondContact OD1-N 3.28Å; D108-Q111 HydrophobicContact CB-CB 4.27Å; D108-Q111 PolarHBondContact OD1-N 2.75Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.39Å; D108-F112 VanDerWaalsContact O-CA 3.23Å; D108-F112 WeakPolarHBondContact O-CA 3.49Å; D108-F112 PolarHBondContact O-N 3.23Å; D108-F113 HydrophobicContact CB-CB 4.22Å; D108-F113 PolarHBondContact N-O 2.92Å; D108-F113 PolarHBondContact O-N 2.67Å |
| 109 | K | 96.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.6 | 177.9 | -62.6 | -175.1 | 173.9 | -176.1 | 0 | 113.6 | M76 F107 F112 D146 | M76-K109 HydrophobicContact CE-CB 4.15Å; M76-K109 HydrophobicContact CE-CG 3.93Å; F107-K109 HydrophobicContact CD1-CG 4.03Å; F107-K109 HydrophobicContact CE1-CD 4.26Å; F107-K109 VanDerWaalsContact CE1-CE 3.46Å; F107-K109 HydrophobicContact CE1-CG 3.79Å; F107-K109 HydrophobicContact CZ-CG 4.43Å; K109-F112 WeakPolarHBondContact O-CE1 2.92Å; K109-D146 VanDerWaalsContact NZ-CG 3.29Å; K109-D146 IonicContact NZ-OD1 3.41Å; K109-D146 PolarHBondContact NZ-OD1 3.15Å; K109-D146 IonicContact NZ-OD2 3.59Å; K109-D146 PolarHBondContact NZ-OD2 3.28Å |
| 110 | Q | 96.6 | Very high | 97.7 | Very high | 175 Ų | 175 | 49.9 Ų | 49.9 | 82% | 0.818 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -40.1 | 178.9 | -62 | -175.2 | -6.8 | 0 | 0 | 111.7 | D108 | D108-Q110 VanDerWaalsContact C-N 3.27Å; D108-Q110 PolarHBondContact O-N 3.32Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.16Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.32Å; D108-Q110 PolarHBondContact OD1-N 3.28Å |
| 111 | Q | 97.6 | Very high | 97.7 | Very high | 142 Ų | 142 | 47.2 Ų | 47.2 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.1 | 177.2 | -60.7 | -169.7 | -15.7 | 0 | 0 | 113.3 | D108 F113 | D108-Q111 HydrophobicContact CB-CB 4.27Å; D108-Q111 PolarHBondContact OD1-N 2.75Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.39Å; Q111-F113 PolarHBondContact O-N 3.06Å |
| 112 | F | 98.3 | Very high | 97.7 | Very high | 54 Ų | 54 | 49 Ų | 49 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 53.7 | -175.3 | -55.8 | -69.7 | 0 | 0 | 0 | 111.7 | I72 G73 D74 D75 M76 L79 D108 K109 | I72-F112 CarbonylContact C-O 3.49Å; I72-F112 WeakPolarHBondContact CA-O 3.32Å; G73-F112 PolarHBondContact N-O 3.08Å; G73-F112 WeakPolarHBondContact O-CB 3.11Å; D74-F112 WeakPolarHBondContact O-CD2 3.37Å; D74-F112 WeakPolarHBondContact O-CE2 3.31Å; D75-F112 HydrophobicContact CB-CZ 4.46Å; M76-F112 HydrophobicContact CB-CE1 4.4Å; M76-F112 HydrophobicContact CE-CD1 4.29Å; M76-F112 HydrophobicContact CE-CE1 4.39Å; L79-F112 HydrophobicContact CB-CB 4.47Å; L79-F112 VanDerWaalsContact CD1-O 3.31Å; L79-F112 WeakPolarHBondContact CD1-O 3.45Å; L79-F112 HydrophobicContact CD2-CB 4.38Å; D108-F112 VanDerWaalsContact O-CA 3.23Å; D108-F112 WeakPolarHBondContact O-CA 3.49Å; D108-F112 PolarHBondContact O-N 3.23Å; K109-F112 WeakPolarHBondContact O-CE1 2.92Å |
| 113 | F | 98.7 | Very high | 97.6 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139.9 | 178.6 | 173.4 | -102.3 | 0 | 0 | 0 | 110.6 | E70 I72 E106 F107 D108 Q111 R115 | E70-F113 HydrophobicContact CB-CE2 4.23Å; E70-F113 HydrophobicContact CG-CE2 4.33Å; E70-F113 HydrophobicContact CG-CZ 4.17Å; I72-F113 HydrophobicContact CD1-CD2 4.39Å; I72-F113 HydrophobicContact CG1-CD2 3.7Å; I72-F113 HydrophobicContact CG1-CE2 4.43Å; E106-F113 HydrophobicContact CB-CE1 4.17Å; E106-F113 HydrophobicContact CG-CD1 4.11Å; E106-F113 HydrophobicContact CG-CE1 3.89Å; F107-F113 WeakPolarHBondContact CA-O 3.27Å; D108-F113 HydrophobicContact CB-CB 4.22Å; D108-F113 PolarHBondContact N-O 2.92Å; D108-F113 PolarHBondContact O-N 2.67Å; Q111-F113 PolarHBondContact O-N 3.06Å; F113-R115 HydrophobicContact CE1-CB 4.04Å; F113-R115 HydrophobicContact CZ-CB 3.99Å |
| 114 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.6 | 173.4 | -165.4 | 169.2 | 0 | 0 | 0 | 110.1 | F44 E70 A71 L79 F83 V104 E106 F107 | F44-I114 HydrophobicContact CB-CD1 4.25Å; F44-I114 HydrophobicContact CD1-CD1 3.52Å; F44-I114 HydrophobicContact CE1-CD1 4.2Å; F44-I114 HydrophobicContact CG-CD1 4.2Å; E70-I114 WeakPolarHBondContact CA-O 3.47Å; A71-I114 HydrophobicContact CB-CG2 3.81Å; A71-I114 PolarHBondContact N-O 3.21Å; A71-I114 PolarHBondContact O-N 2.81Å; L79-I114 HydrophobicContact CD1-CB 4.03Å; L79-I114 HydrophobicContact CD1-CG2 3.55Å; L79-I114 HydrophobicContact CD2-CB 4.45Å; L79-I114 HydrophobicContact CG-CB 4.5Å; L79-I114 HydrophobicContact CG-CG2 4.25Å; F83-I114 HydrophobicContact CB-CG2 4.12Å; F83-I114 HydrophobicContact CD2-CD1 3.82Å; F83-I114 HydrophobicContact CD2-CG1 4.35Å; F83-I114 HydrophobicContact CD2-CG2 3.74Å; F83-I114 HydrophobicContact CE2-CD1 3.94Å; F83-I114 HydrophobicContact CG-CD1 4.26Å; F83-I114 HydrophobicContact CG-CG2 4.28Å; V104-I114 HydrophobicContact CG1-CD1 4.26Å; V104-I114 HydrophobicContact CG1-CG1 3.92Å; V104-I114 HydrophobicContact CG2-CD1 3.79Å; V104-I114 HydrophobicContact CG2-CG1 4.18Å; E106-I114 WeakPolarHBondContact O-CA 3.34Å; F107-I114 HydrophobicContact CD2-CB 4Å; F107-I114 HydrophobicContact CD2-CD1 3.77Å; F107-I114 HydrophobicContact CD2-CG1 3.77Å; F107-I114 HydrophobicContact CE2-CB 4.44Å; F107-I114 HydrophobicContact CE2-CD1 3.88Å; F107-I114 HydrophobicContact CE2-CG1 4.33Å |
| 115 | R | 98.7 | Very high | 97.2 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 25% | 0.249 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.3 | 166.6 | -173.6 | 164.6 | 60.3 | 83.1 | 5.3 | 108.7 | V69 E70 L105 E106 F113 | V69-R115 WeakPolarHBondContact O-CA 3.41Å; E70-R115 HydrophobicContact CG-CB 4.02Å; E70-R115 HydrophobicContact CG-CG 3.63Å; E70-R115 WeakPolarHBondContact OE1-CD 3.22Å; L105-R115 VanDerWaalsContact CD1-NH1 3.3Å; L105-R115 PolarHBondContact N-O 2.89Å; E106-R115 HydrophobicContact CB-CB 3.94Å; E106-R115 PolarHBondContact N-O 3.29Å; E106-R115 VanDerWaalsContact N-O 3.11Å; E106-R115 PolarHBondContact O-N 3.47Å; E106-R115 IonicContact OE2-CZ 3.53Å; E106-R115 IonicContact OE2-NE 2.71Å; E106-R115 PolarHBondContact OE2-NE 3.32Å; E106-R115 IonicContact OE2-NH2 2.73Å; E106-R115 PolarHBondContact OE2-NH2 2.73Å; F113-R115 HydrophobicContact CE1-CB 4.04Å; F113-R115 HydrophobicContact CZ-CB 3.99Å |
| 116 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D68 V69 F83 W87 I102 R103 V104 | D68-A116 CarbonylContact C-O 3.58Å; D68-A116 VanDerWaalsContact CA-O 3.27Å; D68-A116 WeakPolarHBondContact CA-O 3.18Å; V69-A116 HydrophobicContact CG2-CB 4.17Å; V69-A116 PolarHBondContact N-O 2.81Å; V69-A116 PolarHBondContact O-N 3.47Å; F83-A116 HydrophobicContact CE2-CB 3.65Å; F83-A116 HydrophobicContact CZ-CB 4.31Å; W87-A116 HydrophobicContact CZ2-CB 4.23Å; I102-A116 HydrophobicContact CG2-CB 4.14Å; R103-A116 CarbonylContact O-C 3.59Å; R103-A116 WeakPolarHBondContact O-CA 3.32Å; R103-A116 WeakPolarHBondContact O-CB 3.38Å; V104-A116 HydrophobicContact CG2-CB 4.32Å |
| 117 | R | 97.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 21% | 0.211 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.2 | 174.7 | 175.8 | 164.7 | -67.5 | 177.9 | 3.2 | 109.7 | T66 D68 I102 R103 L105 W119 | T66-R117 HydrophobicContact CG2-CG 4.3Å; D68-R117 VanDerWaalsContact OD1-CB 3.28Å; D68-R117 WeakPolarHBondContact OD1-CB 3.46Å; D68-R117 VanDerWaalsContact OD1-CG 3.27Å; D68-R117 WeakPolarHBondContact OD1-CG 3.31Å; D68-R117 IonicContact OD1-CZ 2.67Å; D68-R117 IonicContact OD1-NE 2.71Å; D68-R117 PolarHBondContact OD1-NE 2.76Å; D68-R117 IonicContact OD1-NH2 2.77Å; D68-R117 PolarHBondContact OD1-NH2 2.73Å; D68-R117 IonicContact OD2-CZ 3.67Å; D68-R117 IonicContact OD2-NE 3.95Å; D68-R117 IonicContact OD2-NH2 2.82Å; D68-R117 PolarHBondContact OD2-NH2 3.11Å; I102-R117 CarbonylContact C-O 3.57Å; I102-R117 VanDerWaalsContact CA-O 3.32Å; I102-R117 WeakPolarHBondContact CA-O 3.33Å; R103-R117 PolarHBondContact N-O 3.41Å; R103-R117 PolarHBondContact O-N 3.27Å; L105-R117 HydrophobicContact CD1-CB 3.92Å; L105-R117 HydrophobicContact CD2-CB 4.25Å; L105-R117 HydrophobicContact CG-CB 4.11Å; R117-W119 HydrophobicContact CB-CH2 3.93Å; R117-W119 HydrophobicContact CB-CZ2 4.45Å; R117-W119 HydrophobicContact CB-CZ3 4.1Å; R117-W119 HydrophobicContact CG-CD2 4.23Å; R117-W119 HydrophobicContact CG-CE3 4.18Å; R117-W119 HydrophobicContact CG-CH2 3.71Å; R117-W119 HydrophobicContact CG-CZ2 3.78Å; R117-W119 HydrophobicContact CG-CZ3 3.92Å; R117-W119 WeakPolarHBondContact O-CZ3 3.48Å |
| 118 | G | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 146.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T66 Y67 W87 A101 | T66-G118 CarbonylContact C-O 3.53Å; T66-G118 WeakPolarHBondContact CA-O 3.37Å; T66-G118 WeakPolarHBondContact CB-O 3.42Å; Y67-G118 PolarHBondContact N-O 3.5Å; Y67-G118 PolarHBondContact O-N 2.79Å; W87-G118 VanDerWaalsContact CH2-N 3.33Å; A101-G118 CarbonylContact O-C 3.54Å; A101-G118 WeakPolarHBondContact O-CA 3.31Å |
| 119 | W | 97.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.4 | 171.7 | -68.5 | -102.1 | 0 | 0 | 0 | 108.6 | D13 C14 P15 A63 T66 P99 K100 A101 R103 R117 | D13-W119 PolarHBondContact OD1-NE1 3.3Å; C14-W119 VanDerWaalsContact CA-CD1 3.49Å; C14-W119 HydrophobicContact CB-CB 4.02Å; C14-W119 HydrophobicContact CB-CG 3.8Å; P15-W119 HydrophobicContact CG-CE3 4.39Å; P15-W119 HydrophobicContact CG-CH2 4.4Å; P15-W119 HydrophobicContact CG-CZ3 4.17Å; A63-W119 HydrophobicContact CB-CB 4.04Å; T66-W119 VanDerWaalsContact CG2-CD1 3.48Å; T66-W119 HydrophobicContact CG2-CG 4.11Å; P99-W119 CarbonylContact C-O 3.56Å; K100-W119 WeakPolarHBondContact CA-O 3.5Å; K100-W119 WeakPolarHBondContact CB-O 3.34Å; K100-W119 PolarHBondContact N-O 3.27Å; A101-W119 HydrophobicContact CB-CE3 4.46Å; A101-W119 PolarHBondContact N-O 2.73Å; A101-W119 PolarHBondContact O-N 2.79Å; R103-W119 HydrophobicContact CB-CH2 3.74Å; R103-W119 HydrophobicContact CB-CZ3 3.6Å; R103-W119 HydrophobicContact CG-CH2 3.8Å; R103-W119 HydrophobicContact CG-CZ3 3.56Å; R117-W119 HydrophobicContact CB-CH2 3.93Å; R117-W119 HydrophobicContact CB-CZ2 4.45Å; R117-W119 HydrophobicContact CB-CZ3 4.1Å; R117-W119 HydrophobicContact CG-CD2 4.23Å; R117-W119 HydrophobicContact CG-CE3 4.18Å; R117-W119 HydrophobicContact CG-CH2 3.71Å; R117-W119 HydrophobicContact CG-CZ2 3.78Å; R117-W119 HydrophobicContact CG-CZ3 3.92Å; R117-W119 WeakPolarHBondContact O-CZ3 3.48Å |
| 120 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -150.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D62 M64 Y65 V98 | D62-G120 CarbonylContact O-C 3.6Å; D62-G120 VanDerWaalsContact O-CA 3.29Å; D62-G120 WeakPolarHBondContact O-CA 3.35Å; M64-G120 PolarHBondContact N-O 2.75Å; Y65-G120 PolarHBondContact N-O 2.8Å; Y65-G120 PolarHBondContact O-N 2.93Å; Y65-G120 VanDerWaalsContact O-O 3.12Å; V98-G120 VanDerWaalsContact O-CA 3.3Å; V98-G120 WeakPolarHBondContact O-CA 3.46Å |
| 121 | E | 96.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 176.6 | 178.4 | 71.6 | -165.6 | 139 | 0 | 0 | 110.9 | V61 D62 M64 Y65 V98 K127 H128 | V61-E121 VanDerWaalsContact CA-OE1 3.3Å; V61-E121 WeakPolarHBondContact CA-OE1 3.33Å; V61-E121 HydrophobicContact CG1-CG 4.16Å; D62-E121 PolarHBondContact N-OE1 3.41Å; D62-E121 PolarHBondContact O-N 2.89Å; M64-E121 HydrophobicContact CB-CB 4Å; M64-E121 HydrophobicContact CG-CB 3.99Å; Y65-E121 HydrophobicContact CE1-CB 4.38Å; V98-E121 PolarHBondContact N-O 3.47Å; V98-E121 PolarHBondContact O-N 3.09Å; E121-K127 IonicContact OE1-NZ 3.29Å; E121-K127 PolarHBondContact OE1-NZ 3.44Å; E121-K127 IonicContact OE2-NZ 3.11Å; E121-K127 PolarHBondContact OE2-NZ 2.74Å; E121-H128 IonicContact OE1-CE1 2.64Å; E121-H128 IonicContact OE1-NE2 3.5Å; E121-H128 PolarHBondContact OE1-NE2 2.71Å |
| 122 | S | 96.7 | Very high | 94.8 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.8 | 172.7 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | Y65 P95 F96 D124 H128 | Y65-S122 PolarHBondContact OH-N 2.87Å; Y65-S122 PolarHBondContact OH-OG 2.94Å; P95-S122 WeakPolarHBondContact O-CB 3.44Å; P95-S122 PolarHBondContact O-OG 2.96Å; F96-S122 CarbonylContact O-C 3.6Å; S122-D124 PolarHBondContact O-N 3.19Å; S122-H128 PolarHBondContact O-CE1 2.61Å |
| 123 | F | 95.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | trans | -62.7 | 123.5 | 177.5 | -172.5 | -103.9 | 0 | 0 | 0 | 111.8 | T56 F91 F96 V98 L125 H128 | T56-F123 HydrophobicContact CG2-CD2 4.42Å; T56-F123 HydrophobicContact CG2-CE2 4.2Å; F91-F123 HydrophobicContact CE2-CB 3.89Å; F91-F123 HydrophobicContact CE2-CD2 4.06Å; F91-F123 AromaticContact CE2-CG 3.94Å; F91-F123 HydrophobicContact CE2-CG 3.94Å; F91-F123 HydrophobicContact CZ-CG 4.44Å; F96-F123 HydrophobicContact CB-CB 4.18Å; F96-F123 WeakPolarHBondContact O-CB 3.4Å; F96-F123 PolarHBondContact O-N 3.2Å; V98-F123 HydrophobicContact CG2-CB 3.89Å; V98-F123 HydrophobicContact CG2-CD2 3.95Å; V98-F123 HydrophobicContact CG2-CG 4.38Å; F123-L125 HydrophobicContact CE1-CD2 3.62Å; F123-L125 HydrophobicContact CE1-CG 4.03Å; F123-L125 HydrophobicContact CZ-CD2 4.19Å; F123-H128 HydrophobicContact CD2-CB 3.79Å; F123-H128 AromaticContact CD2-ND1 3.48Å; F123-H128 WeakPolarHBondContact CD2-ND1 3.31Å; F123-H128 HydrophobicContact CE2-CB 3.41Å; F123-H128 VanDerWaalsContact CE2-CB 3.41Å; F123-H128 HydrophobicContact CZ-CB 4.11Å | ||
| 124 | D | 94.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | trans | -121.9 | 115.6 | 177.3 | -179.7 | -10.3 | 0 | 0 | 0 | 110.3 | S122 S126 K127 H128 | S122-D124 PolarHBondContact O-N 3.19Å; D124-S126 PolarHBondContact O-N 2.89Å; D124-S126 VanDerWaalsContact O-N 3.15Å; D124-S126 VanDerWaalsContact OD1-CB 3.3Å; D124-S126 WeakPolarHBondContact OD1-CB 3.36Å; D124-S126 PolarHBondContact OD1-N 3.27Å; D124-S126 PolarHBondContact OD1-OG 2.95Å; D124-S126 PolarHBondContact OD2-OG 2.78Å; D124-S126 VanDerWaalsContact OD2-OG 3.06Å; D124-K127 HydrophobicContact CB-CB 4.12Å; D124-K127 PolarHBondContact O-N 2.95Å; D124-H128 PolarHBondContact N-ND1 2.82Å; D124-H128 WeakPolarHBondContact O-CB 3.5Å; D124-H128 PolarHBondContact O-N 2.71Å | ||
| 125 | L | 92.3 | Very high | 94 | Very high | 123 Ų | 123 | 58 Ų | 58 | 64% | 0.644 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.1 | 178.6 | -74.5 | 169.8 | 0 | 0 | 0 | 114.1 | F123 K127 | F123-L125 HydrophobicContact CE1-CD2 3.62Å; F123-L125 HydrophobicContact CE1-CG 4.03Å; F123-L125 HydrophobicContact CZ-CD2 4.19Å; L125-K127 VanDerWaalsContact C-N 3.33Å |
| 126 | S | 93.5 | Very high | 93.8 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -18.2 | 176.4 | 76.2 | 0 | 0 | 0 | 0 | 113 | D124 | D124-S126 PolarHBondContact O-N 2.89Å; D124-S126 VanDerWaalsContact O-N 3.15Å; D124-S126 VanDerWaalsContact OD1-CB 3.3Å; D124-S126 WeakPolarHBondContact OD1-CB 3.36Å; D124-S126 PolarHBondContact OD1-N 3.27Å; D124-S126 PolarHBondContact OD1-OG 2.95Å; D124-S126 PolarHBondContact OD2-OG 2.78Å; D124-S126 VanDerWaalsContact OD2-OG 3.06Å |
| 127 | K | 94.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -44.5 | -174.8 | -171.4 | -173.7 | -174 | -164 | 0 | 112.8 | N60 D62 E121 D124 L125 | N60-K127 WeakPolarHBondContact O-CE 3.34Å; D62-K127 IonicContact OD2-NZ 2.75Å; D62-K127 PolarHBondContact OD2-NZ 3.01Å; E121-K127 IonicContact OE1-NZ 3.29Å; E121-K127 PolarHBondContact OE1-NZ 3.44Å; E121-K127 IonicContact OE2-NZ 3.11Å; E121-K127 PolarHBondContact OE2-NZ 2.74Å; D124-K127 HydrophobicContact CB-CB 4.12Å; D124-K127 PolarHBondContact O-N 2.95Å; L125-K127 VanDerWaalsContact C-N 3.33Å |
| 128 | H | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -95.8 | 132.2 | -171.7 | -57.8 | 146.9 | 0 | 0 | 0 | 111 | E121 S122 F123 D124 Q130 | E121-H128 IonicContact OE1-CE1 2.64Å; E121-H128 IonicContact OE1-NE2 3.5Å; E121-H128 PolarHBondContact OE1-NE2 2.71Å; S122-H128 PolarHBondContact O-CE1 2.61Å; F123-H128 HydrophobicContact CD2-CB 3.79Å; F123-H128 AromaticContact CD2-ND1 3.48Å; F123-H128 WeakPolarHBondContact CD2-ND1 3.31Å; F123-H128 HydrophobicContact CE2-CB 3.41Å; F123-H128 VanDerWaalsContact CE2-CB 3.41Å; F123-H128 HydrophobicContact CZ-CB 4.11Å; D124-H128 PolarHBondContact N-ND1 2.82Å; D124-H128 WeakPolarHBondContact O-CB 3.5Å; D124-H128 PolarHBondContact O-N 2.71Å; H128-Q130 PolarHBondContact O-N 3.49Å |
| 129 | T | 88.5 | Confident | 93.6 | Very high | 73 Ų | 73 | 61 Ų | 61 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | trans | -68.2 | 123.6 | 173.8 | 49.5 | 0 | 0 | 0 | 0 | 109.4 | T56 D57 G131 | T56-T129 WeakPolarHBondContact CA-O 3.45Å; T56-T129 WeakPolarHBondContact CB-O 3.25Å; T56-T129 PolarHBondContact OG1-O 3.11Å; D57-T129 WeakPolarHBondContact CB-OG1 3.34Å; D57-T129 PolarHBondContact N-OG1 2.9Å; T129-G131 PolarHBondContact O-N 3.01Å | ||
| 130 | Q | 84.4 | Confident | 93.4 | Very high | 155 Ų | 155 | 63.7 Ų | 63.7 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | trans | -69.9 | 106 | 172.1 | -170.4 | 174.6 | -18.1 | 0 | 0 | 109.4 | H128 | H128-Q130 PolarHBondContact O-N 3.49Š| ||
| 131 | G | 86.4 | Confident | 93.2 | Very high | 40 Ų | 40 | 68 Ų | 68 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | trans | -83.8 | -137.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M55 T129 | M55-G131 WeakPolarHBondContact O-CA 3.35Å; M55-G131 PolarHBondContact O-N 2.98Å; T129-G131 PolarHBondContact O-N 3.01Å | ||
| 132 | T | 89.8 | Confident | 93.2 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 132.3 | 179.1 | -45.9 | 0 | 0 | 0 | 0 | 110 | Y54 M55 I159 | Y54-T132 HydrophobicContact CE1-CG2 4.21Å; Y54-T132 PolarHBondContact O-N 2.81Å; M55-T132 WeakPolarHBondContact CA-O 3.41Å; T132-I159 HydrophobicContact CG2-CB 3.72Å; T132-I159 HydrophobicContact CG2-CD1 4.14Å; T132-I159 HydrophobicContact CG2-CG1 4.4Å; T132-I159 HydrophobicContact CG2-CG2 4.21Å |
| 133 | E | 91.6 | Very high | 93.3 | Very high | 136 Ų | 136 | 67.7 Ų | 67.7 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 139.2 | 172.2 | -173.9 | 176.7 | 172.1 | 0 | 0 | 109.7 | I159 | E133-I159 VanDerWaalsContact O-CA 3.27Å; E133-I159 WeakPolarHBondContact O-CA 3.3Å; E133-I159 VanDerWaalsContact O-OXT 3.13Å |
| 134 | V | 93.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 120.9 | 170.2 | 174.9 | 0 | 0 | 0 | 0 | 106.8 | M51 M55 L88 I157 I159 | M51-V134 HydrophobicContact CG-CG2 4.48Å; M55-V134 HydrophobicContact CE-CB 4.19Å; M55-V134 HydrophobicContact CE-CG2 4.1Å; M55-V134 HydrophobicContact CG-CB 4.18Å; M55-V134 HydrophobicContact CG-CG2 3.54Å; M55-V134 HydrophobicContact SD-CB 4.12Å; M55-V134 HydrophobicContact SD-CG2 4.1Å; L88-V134 HydrophobicContact CD1-CB 4.14Å; L88-V134 HydrophobicContact CD1-CG1 4.08Å; L88-V134 HydrophobicContact CD2-CG1 4.19Å; V134-I157 HydrophobicContact CG1-CB 4.11Å; V134-I157 HydrophobicContact CG1-CD1 4.1Å; V134-I157 HydrophobicContact CG2-CD1 3.65Å; V134-I159 HydrophobicContact CG2-CG2 4.33Å |
| 135 | K | 93.4 | Very high | 93.5 | Very high | 119 Ų | 119 | 66.8 Ų | 66.8 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | trans | -89.7 | -40.4 | -175.9 | -65.4 | 176.2 | -172.7 | 132 | 0 | 112.7 | D158 I159 | K135-D158 HydrophobicContact CB-CB 4.4Å; K135-D158 PolarHBondContact N-O 3.3Å; K135-I159 WeakPolarHBondContact CE-OXT 3.31Å; K135-I159 PolarHBondContact NZ-O 3.45Å; K135-I159 PolarHBondContact NZ-OXT 3.25Å | ||
| 136 | A | 95.2 | Very high | 93.7 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 150.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D158 | A136-D158 HydrophobicContact CB-CB 4.3Å; A136-D158 PolarHBondContact O-N 3.28Å |
| 137 | I | 96.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143.9 | 164 | -47.5 | -53.8 | 0 | 0 | 0 | 108.3 | M51 Y81 L84 D85 L88 M142 V155 I157 | M51-I137 HydrophobicContact SD-CD1 3.57Å; M51-I137 VanDerWaalsContact SD-CD1 3.57Å; Y81-I137 HydrophobicContact CD2-CB 4.2Å; Y81-I137 HydrophobicContact CD2-CG2 3.86Å; Y81-I137 HydrophobicContact CE2-CB 4.06Å; Y81-I137 HydrophobicContact CE2-CG2 4.22Å; Y81-I137 VanDerWaalsContact CE2-O 3.24Å; Y81-I137 WeakPolarHBondContact CE2-O 3.24Å; Y81-I137 HydrophobicContact CG-CG2 4.44Å; L84-I137 HydrophobicContact CB-CD1 3.82Å; L84-I137 HydrophobicContact CB-CG1 3.8Å; L84-I137 HydrophobicContact CB-CG2 4.17Å; L84-I137 HydrophobicContact CD1-CG2 4.31Å; D85-I137 HydrophobicContact CB-CG1 4.44Å; L88-I137 HydrophobicContact CD2-CD1 4.29Å; L88-I137 HydrophobicContact CD2-CG1 4.36Å; I137-M142 HydrophobicContact CG2-CE 4.21Å; I137-V155 HydrophobicContact CG2-CG1 3.94Å; I137-I157 HydrophobicContact CD1-CG2 3.85Å |
| 138 | T | 96 | Very high | 92.9 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 20% | 0.202 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.4 | 179.3 | 83.8 | 0 | 0 | 0 | 0 | 112.1 | S140 M142 I156 D158 | T138-S140 PolarHBondContact O-N 3.28Å; T138-S140 WeakPolarHBondContact OG1-CB 3.3Å; T138-S140 PolarHBondContact OG1-N 3.35Å; T138-M142 WeakPolarHBondContact O-CE 3.13Å; T138-I156 WeakPolarHBondContact CB-O 3.49Å; T138-I156 PolarHBondContact N-O 2.92Å; T138-I156 VanDerWaalsContact N-O 3.16Å; T138-I156 PolarHBondContact OG1-O 2.99Å; T138-D158 HydrophobicContact CG2-CB 4.4Å |
| 139 | Y | 96 | Very high | 92.4 | Very high | 114 Ų | 114 | 73.7 Ų | 73.7 | 45% | 0.447 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -5.3 | 168 | -76.6 | -80.6 | 0 | 0 | 0 | 113 | I77 Y81 N141 M142 | I77-Y139 HydrophobicContact CG2-CD1 3.84Å; I77-Y139 HydrophobicContact CG2-CE1 3.99Å; Y81-Y139 AromaticContact CD1-CE2 3.94Å; Y81-Y139 HydrophobicContact CD1-CE2 3.94Å; Y81-Y139 AromaticContact CD1-CZ 3.93Å; Y81-Y139 HydrophobicContact CD2-CD1 4.39Å; Y81-Y139 AromaticContact CD2-CD2 3.57Å; Y81-Y139 HydrophobicContact CD2-CD2 3.57Å; Y81-Y139 HydrophobicContact CD2-CE1 4.19Å; Y81-Y139 AromaticContact CD2-CE2 3.3Å; Y81-Y139 HydrophobicContact CD2-CE2 3.3Å; Y81-Y139 HydrophobicContact CD2-CG 4.11Å; Y81-Y139 AromaticContact CD2-CZ 3.65Å; Y81-Y139 HydrophobicContact CE1-CE2 4.21Å; Y81-Y139 AromaticContact CE2-CD2 3.71Å; Y81-Y139 HydrophobicContact CE2-CD2 3.71Å; Y81-Y139 AromaticContact CE2-CE2 3.54Å; Y81-Y139 HydrophobicContact CE2-CE2 3.54Å; Y81-Y139 HydrophobicContact CG-CD2 4.24Å; Y81-Y139 HydrophobicContact CG-CE1 4.07Å; Y81-Y139 AromaticContact CG-CE2 3.53Å; Y81-Y139 HydrophobicContact CG-CE2 3.53Å; Y81-Y139 AromaticContact CG-CZ 3.43Å; Y81-Y139 VanDerWaalsContact CG-CZ 3.43Å; Y139-N141 PolarHBondContact O-N 3.05Å; Y139-N141 VanDerWaalsContact O-N 3.14Å; Y139-M142 PolarHBondContact O-N 3.41Å |
| 140 | S | 93.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 117 | -174.9 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | T138 M142 I156 | T138-S140 PolarHBondContact O-N 3.28Å; T138-S140 WeakPolarHBondContact OG1-CB 3.3Å; T138-S140 PolarHBondContact OG1-N 3.35Å; S140-M142 PolarHBondContact O-N 3Å; S140-I156 WeakPolarHBondContact O-CD1 3.13Å |
| 141 | N | 92.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 31.1 | -178.8 | -162 | 39.3 | 0 | 0 | 0 | 113.5 | Q32 Y139 Q143 I156 | Q32-N141 PolarHBondContact NE2-ND2 3.48Å; Y139-N141 PolarHBondContact O-N 3.05Å; Y139-N141 VanDerWaalsContact O-N 3.14Å; N141-Q143 PolarHBondContact ND2-NE2 3.33Å; N141-Q143 PolarHBondContact O-N 3.06Å; N141-Q143 PolarHBondContact OD1-NE2 2.89Å; N141-I156 HydrophobicContact CB-CD1 4Å |
| 142 | M | 97.6 | Very high | 94 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.4 | 175 | -173.7 | 177.2 | -64.8 | 0 | 0 | 109.4 | I77 L80 Y81 I137 T138 Y139 S140 F154 V155 | I77-M142 HydrophobicContact CD1-CG 4.24Å; I77-M142 HydrophobicContact CG2-CB 4.22Å; I77-M142 HydrophobicContact CG2-CG 4.06Å; I77-M142 HydrophobicContact CG2-SD 3.65Å; L80-M142 HydrophobicContact CB-SD 4.07Å; L80-M142 HydrophobicContact CD2-CG 4.02Å; L80-M142 HydrophobicContact CD2-SD 3.92Å; L80-M142 HydrophobicContact CG-SD 4.03Å; Y81-M142 HydrophobicContact CD2-CE 4.13Å; I137-M142 HydrophobicContact CG2-CE 4.21Å; T138-M142 WeakPolarHBondContact O-CE 3.13Å; Y139-M142 PolarHBondContact O-N 3.41Å; S140-M142 PolarHBondContact O-N 3Å; M142-F154 WeakPolarHBondContact CA-O 3.3Å; M142-V155 HydrophobicContact CE-CG1 4.14Å; M142-V155 HydrophobicContact CE-CG2 4.39Å; M142-V155 HydrophobicContact CG-CG2 4.4Å |
| 143 | Q | 97.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.8 | -177 | -59.5 | 168.1 | 33.8 | 0 | 0 | 109.8 | N141 Y145 V153 F154 | N141-Q143 PolarHBondContact ND2-NE2 3.33Å; N141-Q143 PolarHBondContact O-N 3.06Å; N141-Q143 PolarHBondContact OD1-NE2 2.89Å; Q143-Y145 HydrophobicContact CB-CD2 4.47Å; Q143-Y145 HydrophobicContact CB-CE2 3.89Å; Q143-Y145 VanDerWaalsContact OE1-CE2 3.26Å; Q143-Y145 PolarHBondContact OE1-OH 2.81Å; Q143-V153 CarbonylContact O-C 3.47Å; Q143-V153 VanDerWaalsContact O-CA 3.3Å; Q143-V153 WeakPolarHBondContact O-CA 3.27Å; Q143-F154 HydrophobicContact CB-CB 4.1Å; Q143-F154 HydrophobicContact CB-CD2 3.95Å; Q143-F154 HydrophobicContact CB-CG 4.43Å; Q143-F154 PolarHBondContact N-O 2.7Å; Q143-F154 PolarHBondContact O-N 2.97Å |
| 144 | V | 98.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.5 | 171.4 | 176.6 | 0 | 0 | 0 | 0 | 108 | L40 M76 I77 L80 V153 | L40-V144 HydrophobicContact CD1-CG1 3.69Å; L40-V144 HydrophobicContact CD2-CG1 4.12Å; M76-V144 HydrophobicContact CG-CB 4.12Å; M76-V144 HydrophobicContact CG-CG1 3.58Å; M76-V144 HydrophobicContact CG-CG2 4.18Å; I77-V144 HydrophobicContact CD1-CB 4.14Å; I77-V144 HydrophobicContact CD1-CG2 3.82Å; L80-V144 HydrophobicContact CB-CG2 4.38Å; L80-V144 HydrophobicContact CD2-CG2 3.63Å; V144-V153 HydrophobicContact CG1-CG1 4.29Å; V144-V153 HydrophobicContact CG2-CG1 4.04Å |
| 145 | Y | 97.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 28% | 0.275 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.8 | 174 | -63.8 | -76.7 | 0 | 0 | 0 | 109.7 | Q143 R150 H151 E152 F154 | Q143-Y145 HydrophobicContact CB-CD2 4.47Å; Q143-Y145 HydrophobicContact CB-CE2 3.89Å; Q143-Y145 VanDerWaalsContact OE1-CE2 3.26Å; Q143-Y145 PolarHBondContact OE1-OH 2.81Å; Y145-R150 CarbonylContact C-O 3.51Å; Y145-R150 VanDerWaalsContact CD2-NH2 3.27Å; Y145-R150 VanDerWaalsContact CE1-NH1 3.33Å; Y145-R150 VanDerWaalsContact CG-CZ 3.48Å; Y145-H151 WeakPolarHBondContact O-CA 3.16Å; Y145-E152 HydrophobicContact CD2-CG 3.91Å; Y145-E152 HydrophobicContact CG-CG 4.4Å; Y145-E152 PolarHBondContact N-O 3.16Å; Y145-E152 PolarHBondContact O-N 2.98Å; Y145-E152 VanDerWaalsContact O-N 3.16Å; Y145-F154 HydrophobicContact CD2-CD2 4.2Å; Y145-F154 AromaticContact CD2-CE2 3.89Å; Y145-F154 HydrophobicContact CD2-CE2 3.89Å; Y145-F154 AromaticContact CE2-CD2 3.99Å; Y145-F154 HydrophobicContact CE2-CD2 3.99Å; Y145-F154 AromaticContact CE2-CE2 3.75Å; Y145-F154 HydrophobicContact CE2-CE2 3.75Å |
| 146 | D | 95.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 58.4 | -176.9 | -173.4 | 44.4 | 0 | 0 | 0 | 109.7 | L40 K109 R150 H151 | L40-D146 HydrophobicContact CD2-CB 4.05Å; K109-D146 VanDerWaalsContact NZ-CG 3.29Å; K109-D146 IonicContact NZ-OD1 3.41Å; K109-D146 PolarHBondContact NZ-OD1 3.15Å; K109-D146 IonicContact NZ-OD2 3.59Å; K109-D146 PolarHBondContact NZ-OD2 3.28Å; D146-R150 WeakPolarHBondContact CA-O 3.45Å; D146-R150 PolarHBondContact N-O 3.22Å; D146-H151 IonicContact OD1-CE1 3.55Å; D146-H151 PolarHBondContact OD1-CE1 2.71Å; D146-H151 IonicContact OD1-ND1 2.76Å; D146-H151 PolarHBondContact OD1-ND1 2.86Å |
| 147 | D | 92.5 | Very high | 95 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.8 | -177.3 | 73.2 | 77.3 | 0 | 0 | 0 | 112.2 | D149 R150 | D147-D149 PolarHBondContact O-N 2.71Å; D147-R150 PolarHBondContact N-O 3.14Å; D147-R150 VanDerWaalsContact N-O 3.07Å; D147-R150 WeakPolarHBondContact O-CA 3.37Å; D147-R150 VanDerWaalsContact O-CB 3.26Å; D147-R150 WeakPolarHBondContact O-CB 3.29Å; D147-R150 PolarHBondContact O-N 2.79Å |
| 148 | N | 78.1 | Confident | 94.9 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 79% | 0.786 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.1 | 57.2 | 168.1 | -50.9 | -64.9 | 0 | 0 | 0 | 115.4 | R150 | N148-R150 PolarHBondContact O-N 2.8Š|
| 149 | D | 86.3 | Confident | 94.7 | Very high | 164 Ų | 164 | 56.3 Ų | 56.3 | 88% | 0.877 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 8.5 | -179 | -48.8 | -44 | 0 | 0 | 0 | 115.4 | D147 | D147-D149 PolarHBondContact O-N 2.71Š|
| 150 | R | 94.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.6 | 173.3 | -173 | -178.9 | 179.7 | -152.4 | -1.6 | 110.1 | Y145 D146 D147 N148 E152 | Y145-R150 CarbonylContact C-O 3.51Å; Y145-R150 VanDerWaalsContact CD2-NH2 3.27Å; Y145-R150 VanDerWaalsContact CE1-NH1 3.33Å; Y145-R150 VanDerWaalsContact CG-CZ 3.48Å; D146-R150 WeakPolarHBondContact CA-O 3.45Å; D146-R150 PolarHBondContact N-O 3.22Å; D147-R150 PolarHBondContact N-O 3.14Å; D147-R150 VanDerWaalsContact N-O 3.07Å; D147-R150 WeakPolarHBondContact O-CA 3.37Å; D147-R150 VanDerWaalsContact O-CB 3.26Å; D147-R150 WeakPolarHBondContact O-CB 3.29Å; D147-R150 PolarHBondContact O-N 2.79Å; N148-R150 PolarHBondContact O-N 2.8Å; R150-E152 HydrophobicContact CG-CG 4Å; R150-E152 IonicContact CZ-OE1 3.09Å; R150-E152 IonicContact NE-OE1 2.79Å; R150-E152 PolarHBondContact NE-OE1 3.19Å; R150-E152 IonicContact NE-OE2 3.55Å; R150-E152 IonicContact NH2-OE1 3.35Å; R150-E152 PolarHBondContact NH2-OE1 3.28Å |
| 151 | H | 98 | Very high | 94.6 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 93.8 | 174.2 | -54.4 | -70 | 0 | 0 | 0 | 108.7 | W36 G37 D38 D39 Y145 D146 | W36-H151 CarbonylContact C-O 3.04Å; W36-H151 WeakPolarHBondContact CA-O 3.4Å; W36-H151 WeakPolarHBondContact CB-O 3.35Å; G37-H151 PolarHBondContact N-O 3.07Å; D38-H151 PolarHBondContact O-CD2 2.77Å; D39-H151 VanDerWaalsContact C-CB 3.49Å; Y145-H151 WeakPolarHBondContact O-CA 3.16Å; D146-H151 IonicContact OD1-CE1 3.55Å; D146-H151 PolarHBondContact OD1-CE1 2.71Å; D146-H151 IonicContact OD1-ND1 2.76Å; D146-H151 PolarHBondContact OD1-ND1 2.86Å |
| 152 | E | 98.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155 | -176.4 | 68.5 | -173 | -149.9 | 0 | 0 | 112 | H34 A35 W36 Y145 R150 F154 | H34-E152 IonicContact NE2-OE1 3.05Å; H34-E152 IonicContact NE2-OE2 3.64Å; A35-E152 CarbonylContact O-C 3.52Å; A35-E152 WeakPolarHBondContact O-CA 3.47Å; A35-E152 WeakPolarHBondContact O-CB 3.15Å; W36-E152 HydrophobicContact CB-CB 3.77Å; Y145-E152 HydrophobicContact CD2-CG 3.91Å; Y145-E152 HydrophobicContact CG-CG 4.4Å; Y145-E152 PolarHBondContact N-O 3.16Å; Y145-E152 PolarHBondContact O-N 2.98Å; Y145-E152 VanDerWaalsContact O-N 3.16Å; R150-E152 HydrophobicContact CG-CG 4Å; R150-E152 IonicContact CZ-OE1 3.09Å; R150-E152 IonicContact NE-OE1 2.79Å; R150-E152 PolarHBondContact NE-OE1 3.19Å; R150-E152 IonicContact NE-OE2 3.55Å; R150-E152 IonicContact NH2-OE1 3.35Å; R150-E152 PolarHBondContact NH2-OE1 3.28Å; E152-F154 HydrophobicContact CG-CE2 3.89Å; E152-F154 VanDerWaalsContact OE1-CE2 3.26Å; E152-F154 WeakPolarHBondContact OE1-CE2 3.27Å; E152-F154 WeakPolarHBondContact OE1-CZ 3.14Å |
| 153 | V | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.4 | -176.7 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | H34 A35 L40 A43 F44 V47 L80 Q143 V144 | H34-V153 WeakPolarHBondContact CA-O 3.44Å; A35-V153 HydrophobicContact CB-CG2 4.14Å; A35-V153 PolarHBondContact N-O 2.92Å; A35-V153 PolarHBondContact O-N 2.77Å; L40-V153 HydrophobicContact CD1-CG1 4.17Å; A43-V153 HydrophobicContact CB-CG1 4.31Å; F44-V153 HydrophobicContact CD2-CG1 4.15Å; F44-V153 HydrophobicContact CE2-CG1 4.05Å; V47-V153 HydrophobicContact CB-CG2 3.69Å; V47-V153 HydrophobicContact CG1-CG2 3.72Å; V47-V153 HydrophobicContact CG2-CG2 4.18Å; L80-V153 HydrophobicContact CD2-CB 3.86Å; L80-V153 HydrophobicContact CD2-CG1 4.03Å; Q143-V153 CarbonylContact O-C 3.47Å; Q143-V153 VanDerWaalsContact O-CA 3.3Å; Q143-V153 WeakPolarHBondContact O-CA 3.27Å; V144-V153 HydrophobicContact CG1-CG1 4.29Å; V144-V153 HydrophobicContact CG2-CG1 4.04Å |
| 154 | F | 98.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.6 | 174.2 | -60.3 | -100.1 | 0 | 0 | 0 | 109 | L25 L33 H34 M142 Q143 Y145 E152 | L25-F154 HydrophobicContact CD1-CD1 4.32Å; L25-F154 HydrophobicContact CD1-CE1 4.13Å; L33-F154 CarbonylContact O-C 3.5Å; L33-F154 VanDerWaalsContact O-CA 3.31Å; L33-F154 WeakPolarHBondContact O-CA 3.28Å; H34-F154 HydrophobicContact CB-CD1 3.86Å; H34-F154 HydrophobicContact CB-CE1 3.82Å; H34-F154 AromaticContact CD2-CD1 3.85Å; H34-F154 AromaticContact CD2-CE1 3.34Å; H34-F154 WeakPolarHBondContact CD2-CE1 3.45Å; H34-F154 AromaticContact CD2-CE2 3.82Å; H34-F154 AromaticContact CD2-CZ 3.32Å; H34-F154 WeakPolarHBondContact CD2-CZ 3.06Å; H34-F154 AromaticContact CE1-CZ 3.94Å; H34-F154 AromaticContact CG-CD1 3.9Å; H34-F154 AromaticContact CG-CE1 3.4Å; H34-F154 VanDerWaalsContact CG-CE1 3.4Å; H34-F154 AromaticContact CG-CZ 3.84Å; H34-F154 AromaticContact ND1-CE1 3.89Å; H34-F154 AromaticContact NE2-CE1 3.85Å; H34-F154 AromaticContact NE2-CZ 3.42Å; H34-F154 WeakPolarHBondContact NE2-CZ 3.3Å; M142-F154 WeakPolarHBondContact CA-O 3.3Å; Q143-F154 HydrophobicContact CB-CB 4.1Å; Q143-F154 HydrophobicContact CB-CD2 3.95Å; Q143-F154 HydrophobicContact CB-CG 4.43Å; Q143-F154 PolarHBondContact N-O 2.7Å; Q143-F154 PolarHBondContact O-N 2.97Å; Y145-F154 HydrophobicContact CD2-CD2 4.2Å; Y145-F154 AromaticContact CD2-CE2 3.89Å; Y145-F154 HydrophobicContact CD2-CE2 3.89Å; Y145-F154 AromaticContact CE2-CD2 3.99Å; Y145-F154 HydrophobicContact CE2-CD2 3.99Å; Y145-F154 AromaticContact CE2-CE2 3.75Å; Y145-F154 HydrophobicContact CE2-CE2 3.75Å; E152-F154 HydrophobicContact CG-CE2 3.89Å; E152-F154 VanDerWaalsContact OE1-CE2 3.26Å; E152-F154 WeakPolarHBondContact OE1-CE2 3.27Å; E152-F154 WeakPolarHBondContact OE1-CZ 3.14Å |
| 155 | V | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 128.2 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | Q32 L33 V47 L80 L84 I137 M142 I157 | Q32-V155 CarbonylContact C-O 3.57Å; Q32-V155 WeakPolarHBondContact CA-O 3.46Å; L33-V155 PolarHBondContact N-O 2.75Å; L33-V155 PolarHBondContact O-N 2.92Å; V47-V155 HydrophobicContact CG2-CB 4.48Å; V47-V155 HydrophobicContact CG2-CG2 4.19Å; L80-V155 HydrophobicContact CD1-CG2 4.36Å; L80-V155 HydrophobicContact CD2-CG2 3.57Å; L80-V155 HydrophobicContact CG-CG2 3.99Å; L84-V155 HydrophobicContact CD1-CB 4.2Å; L84-V155 HydrophobicContact CD1-CG1 3.82Å; L84-V155 HydrophobicContact CD1-CG2 3.84Å; I137-V155 HydrophobicContact CG2-CG1 3.94Å; M142-V155 HydrophobicContact CE-CG1 4.14Å; M142-V155 HydrophobicContact CE-CG2 4.39Å; M142-V155 HydrophobicContact CG-CG2 4.4Å; V155-I157 HydrophobicContact CG1-CG2 4.08Å |
| 156 | I | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.1 | 169.3 | -62.2 | 179 | 0 | 0 | 0 | 108.5 | D30 V31 Q32 T138 S140 N141 | D30-I156 HydrophobicContact CB-CG2 3.59Å; V31-I156 WeakPolarHBondContact O-CA 3.39Å; Q32-I156 HydrophobicContact CB-CG1 4Å; Q32-I156 HydrophobicContact CG-CG1 4.05Å; T138-I156 WeakPolarHBondContact CB-O 3.49Å; T138-I156 PolarHBondContact N-O 2.92Å; T138-I156 VanDerWaalsContact N-O 3.16Å; T138-I156 PolarHBondContact OG1-O 2.99Å; S140-I156 WeakPolarHBondContact O-CD1 3.13Å; N141-I156 HydrophobicContact CB-CD1 4Å |
| 157 | I | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.2 | 175.2 | 63.4 | 177.4 | 0 | 0 | 0 | 110.2 | D30 V31 L33 M51 V134 I137 V155 I159 | D30-I157 WeakPolarHBondContact CB-O 3.41Å; V31-I157 HydrophobicContact CG1-CD1 3.51Å; V31-I157 HydrophobicContact CG1-CG1 3.29Å; V31-I157 PolarHBondContact O-N 3.14Å; V31-I157 VanDerWaalsContact O-N 3.07Å; L33-I157 HydrophobicContact CD1-CD1 4.1Å; L33-I157 HydrophobicContact CD1-CG2 3.98Å; L33-I157 HydrophobicContact CD2-CD1 3.96Å; L33-I157 HydrophobicContact CG-CD1 4.13Å; L33-I157 HydrophobicContact CG-CG1 4.44Å; L33-I157 HydrophobicContact CG-CG2 4.34Å; M51-I157 HydrophobicContact CG-CD1 4.47Å; V134-I157 HydrophobicContact CG1-CB 4.11Å; V134-I157 HydrophobicContact CG1-CD1 4.1Å; V134-I157 HydrophobicContact CG2-CD1 3.65Å; I137-I157 HydrophobicContact CD1-CG2 3.85Å; V155-I157 HydrophobicContact CG1-CG2 4.08Å; I157-I159 HydrophobicContact CD1-CG2 4.26Å; I157-I159 HydrophobicContact CG1-CG2 4.12Å |
| 158 | D | 93.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.9 | 172.4 | -175.8 | 3 | 0 | 0 | 0 | 108.7 | K135 A136 T138 | K135-D158 HydrophobicContact CB-CB 4.4Å; K135-D158 PolarHBondContact N-O 3.3Å; A136-D158 HydrophobicContact CB-CB 4.3Å; A136-D158 PolarHBondContact O-N 3.28Å; T138-D158 HydrophobicContact CG2-CB 4.4Å |
| 159 | I | 90.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | trans | -122.1 | 0 | -174.3 | 56 | 169.1 | 0 | 0 | 0 | 111.7 | V31 Y54 T132 E133 V134 K135 I157 | V31-I159 HydrophobicContact CG1-CG2 4.06Å; Y54-I159 HydrophobicContact CD1-CG2 4.37Å; Y54-I159 HydrophobicContact CE1-CD1 4.24Å; Y54-I159 HydrophobicContact CE1-CG2 3.99Å; T132-I159 HydrophobicContact CG2-CB 3.72Å; T132-I159 HydrophobicContact CG2-CD1 4.14Å; T132-I159 HydrophobicContact CG2-CG1 4.4Å; T132-I159 HydrophobicContact CG2-CG2 4.21Å; E133-I159 VanDerWaalsContact O-CA 3.27Å; E133-I159 WeakPolarHBondContact O-CA 3.3Å; E133-I159 VanDerWaalsContact O-OXT 3.13Å; V134-I159 HydrophobicContact CG2-CG2 4.33Å; K135-I159 WeakPolarHBondContact CE-OXT 3.31Å; K135-I159 PolarHBondContact NZ-O 3.45Å; K135-I159 PolarHBondContact NZ-OXT 3.25Å; I157-I159 HydrophobicContact CD1-CG2 4.26Å; I157-I159 HydrophobicContact CG1-CG2 4.12Å |
Retrieved 159 of 159 residues in 121.1 ms
(Link to these results)