| 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 | 61.9 | Low | 71.1 | Confident | 190 Ų | 190 | 108.3 Ų | 108.3 | 94% | 0.936 | 57% | 0.572 | S | S | * | * | 0 | -56 | 0 | -64.8 | -54.7 | -104.8 | 0 | 0 | 112.5 | Y3 L4 I5 | M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 3.11Å | |||
| 2 | A | 69 | Low | 69.7 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59 | -38.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L4 I5 L6 | A2-L4 PolarHBondContact O-N 3.47Å; A2-I5 PolarHBondContact O-N 3.46Å; A2-L6 WeakPolarHBondContact O-CB 3.31Å; A2-L6 PolarHBondContact O-N 2.78Å |
| 3 | Y | 71.3 | Confident | 68.3 | Low | 184 Ų | 184 | 108.4 Ų | 108.4 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -33.8 | 180 | -145.4 | -94.5 | 0 | 0 | 0 | 113.1 | M1 L7 | M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.38Å; Y3-L7 HydrophobicContact CD1-CD1 4Å; Y3-L7 HydrophobicContact CE1-CD1 4.15Å; Y3-L7 WeakPolarHBondContact O-CB 3.32Å; Y3-L7 PolarHBondContact O-N 2.87Å |
| 4 | L | 75.9 | Confident | 66.9 | Low | 110 Ų | 110 | 110.5 Ų | 110.5 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.4 | -39.8 | 176.5 | -167.8 | 79 | 0 | 0 | 0 | 110.9 | M1 A2 L7 L8 | M1-L4 PolarHBondContact O-N 3.28Å; A2-L4 PolarHBondContact O-N 3.47Å; L4-L7 PolarHBondContact O-N 3.5Å; L4-L8 HydrophobicContact CG-CD1 4.2Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 VanDerWaalsContact O-CG 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 3.39Å |
| 5 | I | 79 | Confident | 65 | Low | 114 Ų | 114 | 114.9 Ų | 114.9 | 59% | 0.585 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 174.9 | -64.2 | 168.3 | 0 | 0 | 0 | 110.3 | M1 A2 L8 A9 | M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 3.11Å; A2-I5 PolarHBondContact O-N 3.46Å; I5-L8 PolarHBondContact O-N 3.38Å; I5-A9 VanDerWaalsContact O-CB 3.27Å; I5-A9 WeakPolarHBondContact O-CB 3.24Å; I5-A9 PolarHBondContact O-N 2.83Å |
| 6 | L | 77.1 | Confident | 63.2 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -44.2 | 176 | -169 | 75.6 | 0 | 0 | 0 | 111.7 | A2 A9 I10 | A2-L6 WeakPolarHBondContact O-CB 3.31Å; A2-L6 PolarHBondContact O-N 2.78Å; L6-A9 PolarHBondContact O-N 2.84Å; L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 HydrophobicContact CG-CD1 3.96Å; L6-I10 WeakPolarHBondContact O-CB 3.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.23Å; L6-I10 PolarHBondContact O-N 3.2Å |
| 7 | L | 77.4 | Confident | 61.4 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 44% | 0.44 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.4 | -44.1 | 175.7 | -107.2 | 154.7 | 0 | 0 | 0 | 112.2 | Y3 L4 A9 I10 L11 | Y3-L7 HydrophobicContact CD1-CD1 4Å; Y3-L7 HydrophobicContact CE1-CD1 4.15Å; Y3-L7 WeakPolarHBondContact O-CB 3.32Å; Y3-L7 PolarHBondContact O-N 2.87Å; L4-L7 PolarHBondContact O-N 3.5Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-I10 PolarHBondContact O-N 3.08Å; L7-L11 HydrophobicContact CD2-CD1 4.41Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.44Å |
| 8 | L | 73.4 | Confident | 60 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | 175.9 | -73.2 | 167.1 | 0 | 0 | 0 | 111.8 | L4 I5 L11 H12 | L4-L8 HydrophobicContact CG-CD1 4.2Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 VanDerWaalsContact O-CG 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-H12 WeakPolarHBondContact O-CB 3.24Å; L8-H12 PolarHBondContact O-N 2.94Å |
| 9 | A | 69.1 | Low | 58.9 | Low | 47 Ų | 47 | 121.1 Ų | 121.1 | 39% | 0.388 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | I5 L6 L7 H12 V13 | I5-A9 VanDerWaalsContact O-CB 3.27Å; I5-A9 WeakPolarHBondContact O-CB 3.24Å; I5-A9 PolarHBondContact O-N 2.83Å; L6-A9 PolarHBondContact O-N 2.84Å; L7-A9 VanDerWaalsContact C-N 3.34Å; A9-H12 PolarHBondContact O-N 3.35Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 3.27Å |
| 10 | I | 66.9 | Low | 58.4 | Low | 83 Ų | 83 | 119.3 Ų | 119.3 | 43% | 0.426 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -42 | 175.9 | -66.5 | 162.6 | 0 | 0 | 0 | 110.6 | L6 L7 V13 H14 | L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 HydrophobicContact CG-CD1 3.96Å; L6-I10 WeakPolarHBondContact O-CB 3.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.23Å; L6-I10 PolarHBondContact O-N 3.2Å; L7-I10 PolarHBondContact O-N 3.08Å; I10-V13 PolarHBondContact O-N 3.25Å; I10-H14 PolarHBondContact O-N 3.35Å; I10-H14 PolarHBondContact O-ND1 3.28Å |
| 11 | L | 61.5 | Low | 58.3 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63 | -39.5 | 174 | -100.5 | 140.6 | 0 | 0 | 0 | 112.3 | L7 L8 K15 | L7-L11 HydrophobicContact CD2-CD1 4.41Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-K15 VanDerWaalsContact O-CB 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.36Å; L11-K15 PolarHBondContact O-N 3.49Å |
| 12 | H | 53.4 | Low | 58.9 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 63% | 0.625 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.8 | -37.4 | 173.9 | -80.4 | -16.5 | 0 | 0 | 0 | 112.7 | L8 A9 K15 A16 | L8-H12 WeakPolarHBondContact O-CB 3.24Å; L8-H12 PolarHBondContact O-N 2.94Å; A9-H12 PolarHBondContact O-N 3.35Å; H12-K15 PolarHBondContact O-N 3.3Å; H12-A16 WeakPolarHBondContact O-CB 3.29Å; H12-A16 PolarHBondContact O-N 3.46Å |
| 13 | V | 52 | Low | 59.9 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.5 | -40.1 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | A9 I10 A16 W17 | A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 3.27Å; I10-V13 PolarHBondContact O-N 3.25Å; V13-A16 PolarHBondContact O-N 2.93Å; V13-W17 PolarHBondContact O-N 3.27Å |
| 14 | H | 48.8 | Very low | 60.9 | Low | 138 Ų | 138 | 104.1 Ų | 104.1 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.3 | -36.1 | 174.6 | -77.7 | 25.3 | 0 | 0 | 0 | 112.6 | I10 A16 W17 | I10-H14 PolarHBondContact O-N 3.35Å; I10-H14 PolarHBondContact O-ND1 3.28Å; H14-A16 VanDerWaalsContact C-N 3.27Å; H14-A16 PolarHBondContact O-N 3Å; H14-W17 PolarHBondContact O-N 2.94Å |
| 15 | K | 38.8 | Very low | 61.9 | Low | 176 Ų | 176 | 99 Ų | 99 | 77% | 0.765 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.4 | -25.2 | 175.8 | -153.5 | 173.7 | -172.2 | 177.7 | 0 | 112.4 | L11 H12 | L11-K15 VanDerWaalsContact O-CB 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.36Å; L11-K15 PolarHBondContact O-N 3.49Å; H12-K15 PolarHBondContact O-N 3.3Å |
| 16 | A | 35.4 | Very low | 62.7 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H12 V13 H14 | H12-A16 WeakPolarHBondContact O-CB 3.29Å; H12-A16 PolarHBondContact O-N 3.46Å; V13-A16 PolarHBondContact O-N 2.93Å; H14-A16 VanDerWaalsContact C-N 3.27Å; H14-A16 PolarHBondContact O-N 3Å |
| 17 | W | 33.1 | Very low | 63.6 | Low | 219 Ų | 219 | 89.9 Ų | 89.9 | 83% | 0.83 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -7.3 | -175.5 | -91.7 | 49.9 | 0 | 0 | 0 | 115 | V13 H14 E19 | V13-W17 PolarHBondContact O-N 3.27Å; H14-W17 PolarHBondContact O-N 2.94Å; W17-E19 PolarHBondContact O-N 3.32Å |
| 18 | C | 35.6 | Very low | 64.4 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 78% | 0.777 | 46% | 0.459 | S | S | * | . | trans | -89 | 54.4 | 160.3 | -98.3 | 0 | 0 | 0 | 0 | 109.7 | A20 | C18-A20 PolarHBondContact O-N 2.89Š| ||
| 19 | E | 38.9 | Very low | 65.5 | Low | 175 Ų | 175 | 84.1 Ų | 84.1 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | trans | -70.3 | 93.2 | 158.7 | -158.4 | 168.3 | -148.2 | 0 | 0 | 105.3 | W17 T21 | W17-E19 PolarHBondContact O-N 3.32Å; E19-T21 PolarHBondContact O-N 3.28Å | ||
| 20 | A | 50.1 | Low | 66.8 | Low | 85 Ų | 85 | 84.4 Ų | 84.4 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | trans | -53.3 | 112.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | C18 F22 | C18-A20 PolarHBondContact O-N 2.89Å; A20-F22 PolarHBondContact O-N 3.5Å | ||
| 21 | T | 54.9 | Low | 68.1 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | trans | -55.5 | 106.7 | 179.5 | 47.6 | 0 | 0 | 0 | 0 | 107.7 | E19 W23 | E19-T21 PolarHBondContact O-N 3.28Å; T21-W23 WeakPolarHBondContact O-CZ3 3.38Å; T21-W23 PolarHBondContact O-N 2.91Å | ||
| 22 | F | 75.9 | Confident | 69.7 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 33% | 0.325 | 45% | 0.454 | S | S | . | . | trans | -72.5 | 124.8 | -178.3 | -164 | -91 | 0 | 0 | 0 | 108.2 | A20 K122 M165 I176 Y188 | A20-F22 PolarHBondContact O-N 3.5Å; F22-K122 WeakPolarHBondContact O-CD 3.4Å; F22-M165 HydrophobicContact CE2-SD 4.46Å; F22-I176 HydrophobicContact CE1-CD1 3.84Å; F22-I176 HydrophobicContact CE2-CD1 4.32Å; F22-I176 HydrophobicContact CZ-CD1 3.63Å; F22-I176 HydrophobicContact CZ-CG2 4.3Å; F22-Y188 AromaticContact CD1-CD2 3.87Å; F22-Y188 HydrophobicContact CD1-CD2 3.87Å; F22-Y188 AromaticContact CD1-CE2 3.7Å; F22-Y188 HydrophobicContact CD1-CE2 3.7Å; F22-Y188 AromaticContact CE1-CD1 3.86Å; F22-Y188 HydrophobicContact CE1-CD1 3.86Å; F22-Y188 AromaticContact CE1-CD2 3.32Å; F22-Y188 HydrophobicContact CE1-CD2 3.32Å; F22-Y188 AromaticContact CE1-CE1 3.8Å; F22-Y188 HydrophobicContact CE1-CE1 3.8Å; F22-Y188 AromaticContact CE1-CE2 3.27Å; F22-Y188 HydrophobicContact CE1-CE2 3.27Å; F22-Y188 AromaticContact CE1-CG 3.64Å; F22-Y188 HydrophobicContact CE1-CG 3.64Å; F22-Y188 AromaticContact CE1-CZ 3.55Å; F22-Y188 HydrophobicContact CZ-CD1 4.05Å; F22-Y188 AromaticContact CZ-CD2 4Å; F22-Y188 HydrophobicContact CZ-CD2 4Å; F22-Y188 HydrophobicContact CZ-CE1 4.34Å; F22-Y188 HydrophobicContact CZ-CE2 4.3Å; F22-Y188 AromaticContact CZ-CG 3.88Å; F22-Y188 HydrophobicContact CZ-CG 3.88Å | ||
| 23 | W | 88.4 | Confident | 71.7 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 31% | 0.311 | 43% | 0.425 | S | S | . | . | trans | -107.9 | 150.6 | 174.3 | 55.2 | 82.7 | 0 | 0 | 0 | 109.3 | T21 K124 I176 | T21-W23 WeakPolarHBondContact O-CZ3 3.38Å; T21-W23 PolarHBondContact O-N 2.91Å; W23-K124 HydrophobicContact CB-CB 3.92Å; W23-K124 HydrophobicContact CD2-CB 4.22Å; W23-K124 HydrophobicContact CD2-CD 3.65Å; W23-K124 HydrophobicContact CE3-CD 3.6Å; W23-K124 HydrophobicContact CG-CB 3.84Å; W23-K124 HydrophobicContact CG-CD 4.18Å; W23-K124 HydrophobicContact CH2-CD 4.37Å; W23-K124 HydrophobicContact CZ2-CD 4.37Å; W23-K124 HydrophobicContact CZ3-CD 4Å; W23-I176 WeakPolarHBondContact O-CD1 3.3Å | ||
| 24 | D | 93.9 | Very high | 73.8 | Confident | 12 Ų | 12 | 79.3 Ų | 79.3 | 6% | 0.064 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -94.7 | -36.8 | -176 | -50.1 | -41.1 | 0 | 0 | 0 | 111.8 | K121 K122 I176 Y188 K191 | D24-K121 HydrophobicContact CB-CG 4.23Å; D24-K121 WeakPolarHBondContact OD2-CA 3.35Å; D24-K122 WeakPolarHBondContact CB-O 3.33Å; D24-K122 PolarHBondContact N-O 2.03Å; D24-K122 PolarHBondContact OD2-N 2.83Å; D24-I176 PolarHBondContact O-N 2.99Å; D24-Y188 VanDerWaalsContact CB-OH 3.3Å; D24-Y188 WeakPolarHBondContact CB-OH 3.43Å; D24-Y188 WeakPolarHBondContact OD1-CE2 3.32Å; D24-Y188 VanDerWaalsContact OD1-CZ 3.23Å; D24-Y188 PolarHBondContact OD1-OH 3.47Å; D24-K191 HydrophobicContact CB-CB 4.26Å; D24-K191 HydrophobicContact CB-CG 4.17Å; D24-K191 WeakPolarHBondContact OD2-CG 3.2Å |
| 25 | T | 95.6 | Very high | 76.1 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.025 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.1 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | V27 K121 K122 I123 K124 Q173 V174 D175 | T25-V27 HydrophobicContact CG2-CG2 3.9Å; T25-K121 WeakPolarHBondContact OG1-CE 3.44Å; T25-K121 PolarHBondContact OG1-NZ 2.83Å; T25-K122 PolarHBondContact N-O 3.49Å; T25-I123 CarbonylContact O-C 3.59Å; T25-I123 WeakPolarHBondContact O-CA 3.31Å; T25-K124 PolarHBondContact O-N 3.23Å; T25-Q173 HydrophobicContact CG2-CB 4.49Å; T25-V174 CarbonylContact C-O 3.57Å; T25-V174 WeakPolarHBondContact CA-O 2.97Å; T25-D175 WeakPolarHBondContact CB-OD1 2.95Å; T25-D175 WeakPolarHBondContact CG2-OD1 2.89Å; T25-D175 PolarHBondContact OG1-OD1 2.93Å |
| 26 | A | 95.3 | Very high | 78.7 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K124 Q173 V174 | A26-K124 CarbonylContact C-O 3.56Å; A26-K124 VanDerWaalsContact CA-O 3.26Å; A26-K124 WeakPolarHBondContact CA-O 3.2Å; A26-Q173 CarbonylContact O-C 3.59Å; A26-Q173 VanDerWaalsContact O-CA 3.25Å; A26-Q173 WeakPolarHBondContact O-CA 3.49Å; A26-V174 HydrophobicContact CB-CB 4.44Å; A26-V174 PolarHBondContact N-O 3.02Å; A26-V174 PolarHBondContact O-N 2.87Å |
| 27 | V | 96.4 | Very high | 81.5 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | T25 L35 I123 K124 V125 V126 H172 Q173 | T25-V27 HydrophobicContact CG2-CG2 3.9Å; V27-L35 HydrophobicContact CB-CD2 4.31Å; V27-L35 HydrophobicContact CG1-CD2 4.33Å; V27-L35 HydrophobicContact CG2-CD2 4.35Å; V27-I123 HydrophobicContact CB-CG2 4.48Å; V27-I123 HydrophobicContact CG2-CG2 3.74Å; V27-K124 PolarHBondContact N-O 3.19Å; V27-V125 WeakPolarHBondContact O-CA 3.46Å; V27-V126 PolarHBondContact O-N 2.96Å; V27-H172 WeakPolarHBondContact CA-O 3.4Å; V27-Q173 HydrophobicContact CG2-CB 4.44Å |
| 28 | Q | 95.5 | Very high | 84.3 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.4 | 174.5 | -172.3 | -174.3 | 15.7 | 0 | 0 | 109.1 | S30 S128 F131 H172 | Q28-S30 PolarHBondContact O-N 3.19Å; Q28-S128 WeakPolarHBondContact CG-O 3.18Å; Q28-S128 PolarHBondContact NE2-O 2.83Å; Q28-F131 HydrophobicContact CB-CE2 3.82Å; Q28-F131 HydrophobicContact CB-CZ 4.27Å; Q28-H172 PolarHBondContact N-O 3.47Å; Q28-H172 PolarHBondContact OE1-ND1 3.45Å |
| 29 | L | 96.3 | Very high | 86.9 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | trans | -58.9 | 128.9 | 171.8 | -176.8 | 71 | 0 | 0 | 0 | 110.2 | M33 A99 I104 V125 V126 | L29-M33 HydrophobicContact CD1-CE 4.17Å; L29-M33 HydrophobicContact CD1-SD 3.96Å; L29-A99 HydrophobicContact CD1-CB 4.18Å; L29-I104 HydrophobicContact CD1-CG1 4.48Å; L29-I104 HydrophobicContact CD2-CD1 4.13Å; L29-I104 HydrophobicContact CD2-CG1 3.99Å; L29-V125 HydrophobicContact CB-CG1 4.1Å; L29-V125 HydrophobicContact CD1-CG1 3.85Å; L29-V126 PolarHBondContact N-O 3.07Å | ||
| 30 | S | 95.4 | Very high | 89.2 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | trans | -149.8 | 155.1 | 169 | 71.9 | 0 | 0 | 0 | 0 | 109.8 | Q28 T32 M33 A99 | Q28-S30 PolarHBondContact O-N 3.19Å; S30-T32 PolarHBondContact O-N 2.86Å; S30-T32 VanDerWaalsContact O-N 3.17Å; S30-M33 WeakPolarHBondContact O-CB 3.33Å; S30-M33 PolarHBondContact O-N 3.35Å; S30-M33 VanDerWaalsContact O-N 3.12Å; S30-M33 WeakPolarHBondContact OG-CA 3.28Å; S30-M33 WeakPolarHBondContact OG-CB 3.3Å; S30-M33 PolarHBondContact OG-N 2.78Å; S30-A99 WeakPolarHBondContact O-CB 3.49Å | ||
| 31 | E | 95.3 | Very high | 90.9 | Very high | 135 Ų | 135 | 45.6 Ų | 45.6 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -39.9 | -176.2 | -65.2 | -179.4 | 176.6 | 0 | 0 | 112.2 | N98 A99 | E31-N98 CarbonylContact O-C 3.58Å; E31-N98 VanDerWaalsContact O-CA 3.26Å; E31-N98 WeakPolarHBondContact O-CA 2.98Å; E31-N98 PolarHBondContact O-N 2.75Å; E31-A99 PolarHBondContact O-N 3.4Å |
| 32 | T | 95.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 39.1 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 112 | S30 | S30-T32 PolarHBondContact O-N 2.86Å; S30-T32 VanDerWaalsContact O-N 3.17Å |
| 33 | M | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | trans | -64 | 147.6 | 178.8 | 68.7 | 177.9 | -177.9 | 0 | 0 | 111.9 | L29 S30 L35 F96 A99 D103 V125 | L29-M33 HydrophobicContact CD1-CE 4.17Å; L29-M33 HydrophobicContact CD1-SD 3.96Å; S30-M33 WeakPolarHBondContact O-CB 3.33Å; S30-M33 PolarHBondContact O-N 3.35Å; S30-M33 VanDerWaalsContact O-N 3.12Å; S30-M33 WeakPolarHBondContact OG-CA 3.28Å; S30-M33 WeakPolarHBondContact OG-CB 3.3Å; S30-M33 PolarHBondContact OG-N 2.78Å; M33-L35 HydrophobicContact SD-CD2 4.32Å; M33-F96 HydrophobicContact CE-CD1 4.35Å; M33-F96 HydrophobicContact CE-CD2 3.61Å; M33-F96 HydrophobicContact CE-CE1 4.26Å; M33-F96 HydrophobicContact CE-CE2 3.52Å; M33-F96 HydrophobicContact CE-CG 4.05Å; M33-F96 HydrophobicContact CE-CZ 3.86Å; M33-F96 HydrophobicContact CG-CB 4.39Å; M33-F96 HydrophobicContact CG-CD2 3.88Å; M33-F96 HydrophobicContact CG-CG 4.33Å; M33-F96 PolarHBondContact O-N 2.76Å; M33-A99 HydrophobicContact CE-CB 3.9Å; M33-A99 HydrophobicContact CG-CB 4.26Å; M33-A99 HydrophobicContact SD-CB 4.45Å; M33-D103 HydrophobicContact CE-CB 4.09Å; M33-V125 HydrophobicContact CE-CG1 3.94Å; M33-V125 HydrophobicContact CE-CG2 3.88Å; M33-V125 HydrophobicContact SD-CB 4.46Å; M33-V125 HydrophobicContact SD-CG1 3.64Å; M33-V125 HydrophobicContact SD-CG2 3.92Å | ||
| 34 | T | 95.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.5 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | E36 L94 S95 | T34-E36 PolarHBondContact O-N 3.47Å; T34-L94 WeakPolarHBondContact CA-O 3.48Å; T34-S95 VanDerWaalsContact CG2-OG 3.3Å; T34-S95 WeakPolarHBondContact CG2-OG 3.34Å; T34-S95 PolarHBondContact OG1-OG 2.99Å |
| 35 | L | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 96.9 | 173.8 | -49.2 | -173.3 | 0 | 0 | 0 | 108.2 | V27 M33 C37 W50 S93 L94 F96 Y107 I123 V125 | V27-L35 HydrophobicContact CB-CD2 4.31Å; V27-L35 HydrophobicContact CG1-CD2 4.33Å; V27-L35 HydrophobicContact CG2-CD2 4.35Å; M33-L35 HydrophobicContact SD-CD2 4.32Å; L35-C37 PolarHBondContact O-N 2.79Å; L35-W50 HydrophobicContact CB-CH2 3.7Å; L35-W50 HydrophobicContact CB-CZ3 4.11Å; L35-W50 HydrophobicContact CD1-CZ3 4.13Å; L35-S93 WeakPolarHBondContact O-CA 3.48Å; L35-L94 HydrophobicContact CB-CB 4.38Å; L35-L94 HydrophobicContact CD1-CD2 4.29Å; L35-L94 PolarHBondContact N-O 3.22Å; L35-L94 PolarHBondContact O-N 2.86Å; L35-L94 VanDerWaalsContact O-N 3.11Å; L35-F96 HydrophobicContact CD1-CE2 4.09Å; L35-F96 HydrophobicContact CG-CE2 4.28Å; L35-Y107 HydrophobicContact CD1-CD1 3.79Å; L35-Y107 HydrophobicContact CD1-CD2 3.81Å; L35-Y107 HydrophobicContact CD1-CE1 4.29Å; L35-Y107 HydrophobicContact CD1-CE2 4.32Å; L35-Y107 HydrophobicContact CD1-CG 3.54Å; L35-I123 HydrophobicContact CB-CD1 3.85Å; L35-I123 HydrophobicContact CB-CG2 4.41Å; L35-I123 HydrophobicContact CD2-CG2 3.99Å; L35-V125 HydrophobicContact CD1-CG2 4.4Å; L35-V125 HydrophobicContact CD2-CG2 3.65Å |
| 36 | E | 94.3 | Very high | 92.4 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | trans | -67 | 123.3 | -176.1 | -171.1 | -172.7 | 143.6 | 0 | 0 | 111.5 | T34 V38 S93 K121 I123 | T34-E36 PolarHBondContact O-N 3.47Å; E36-V38 HydrophobicContact CG-CG2 4.08Å; E36-S93 WeakPolarHBondContact CA-OG 3.45Å; E36-K121 PolarHBondContact O-NZ 2.82Å; E36-I123 WeakPolarHBondContact O-CD1 3.44Å | ||
| 37 | C | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -139.4 | 108.6 | 173.5 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | L35 W50 I92 S93 C109 | L35-C37 PolarHBondContact O-N 2.79Å; C37-W50 HydrophobicContact CB-CH2 3.91Å; C37-W50 HydrophobicContact CB-CZ2 3.47Å; C37-W50 VanDerWaalsContact CB-CZ2 3.47Å; C37-I92 HydrophobicContact CB-CG2 3.99Å; C37-I92 PolarHBondContact O-N 2.93Å; C37-S93 PolarHBondContact N-OG 3.21Å; C37-C109 HydrophobicContact CB-CB 3.79Å; C37-C109 WeakPolarHBondContact CB-SG 3.45Å; C37-C109 WeakPolarHBondContact SG-CB 3.48Å; C37-C109 CovalentContact SG-SG 2.03Å; C37-C109 PolarHBondContact SG-SG 2.76Å | ||
| 38 | V | 92.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 122.4 | -177.7 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | E36 P40 R90 N91 W119 L193 | E36-V38 HydrophobicContact CG-CG2 4.08Å; V38-P40 WeakPolarHBondContact O-CD 3.41Å; V38-R90 WeakPolarHBondContact CA-O 3.33Å; V38-N91 HydrophobicContact CG2-CB 4.14Å; V38-W119 WeakPolarHBondContact O-CH2 3.43Å; V38-L193 HydrophobicContact CB-CD1 4.35Å; V38-L193 HydrophobicContact CG1-CD1 4.04Å |
| 39 | Y | 90.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | trans | -76.1 | 123 | 176 | -171.9 | -114.7 | 0 | 0 | 0 | 110.8 | L41 D43 R90 F111 T113 W119 | Y39-L41 HydrophobicContact CD1-CB 4.37Å; Y39-L41 WeakPolarHBondContact CD1-O 3.38Å; Y39-L41 HydrophobicContact CE1-CB 3.57Å; Y39-L41 HydrophobicContact CE1-CG 4.49Å; Y39-L41 WeakPolarHBondContact CE1-O 3.49Å; Y39-D43 HydrophobicContact CE1-CB 3.99Å; Y39-D43 PolarHBondContact OH-OD2 3.4Å; Y39-R90 PolarHBondContact N-O 2.98Å; Y39-F111 HydrophobicContact CD2-CB 4.23Å; Y39-F111 HydrophobicContact CD2-CD1 4.19Å; Y39-F111 HydrophobicContact CD2-CG 4.11Å; Y39-F111 AromaticContact CG-CD1 3.96Å; Y39-F111 HydrophobicContact CG-CD1 3.96Å; Y39-F111 HydrophobicContact CG-CE1 4.27Å; Y39-F111 HydrophobicContact CG-CG 4.34Å; Y39-T113 HydrophobicContact CD1-CG2 4.47Å; Y39-T113 HydrophobicContact CE1-CG2 3.89Å; Y39-T113 HydrophobicContact CE2-CG2 4.12Å; Y39-T113 PolarHBondContact OH-OG1 3.31Å; Y39-W119 HydrophobicContact CD2-CB 4.11Å; Y39-W119 AromaticContact CD2-CD2 3.75Å; Y39-W119 HydrophobicContact CD2-CD2 3.75Å; Y39-W119 AromaticContact CD2-CE3 3.9Å; Y39-W119 HydrophobicContact CD2-CE3 3.9Å; Y39-W119 AromaticContact CD2-CG 3.86Å; Y39-W119 HydrophobicContact CD2-CG 3.86Å; Y39-W119 HydrophobicContact CE2-CB 3.59Å; Y39-W119 AromaticContact CE2-CD1 3.95Å; Y39-W119 HydrophobicContact CE2-CD2 4.02Å; Y39-W119 AromaticContact CE2-CG 3.61Å; Y39-W119 HydrophobicContact CE2-CG 3.61Å | ||
| 40 | P | 86.4 | Confident | 92.3 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | trans | -85.1 | -14.6 | -170.4 | 31.8 | -34.9 | 0 | 0 | 0 | 114.5 | V38 L193 | V38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-L193 HydrophobicContact CB-CD1 4.29Å | ||
| 41 | L | 85.4 | Confident | 92.3 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -101.4 | 166.9 | -175.3 | -52.7 | 178.2 | 0 | 0 | 0 | 111.8 | Y39 | Y39-L41 HydrophobicContact CD1-CB 4.37Å; Y39-L41 WeakPolarHBondContact CD1-O 3.38Å; Y39-L41 HydrophobicContact CE1-CB 3.57Å; Y39-L41 HydrophobicContact CE1-CG 4.49Å; Y39-L41 WeakPolarHBondContact CE1-O 3.49Å |
| 42 | M | 82.8 | Confident | 92.3 | Very high | 172 Ų | 172 | 48.7 Ų | 48.7 | 85% | 0.847 | 26% | 0.263 | S | S | * | . | trans | -101.7 | 39.3 | -179.8 | -58.6 | -165.2 | 81.1 | 0 | 0 | 112.2 | ||||
| 43 | D | 87.3 | Confident | 92 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 160.5 | 177.3 | -59.9 | -44.6 | 0 | 0 | 0 | 111.7 | Y39 L45 T113 S116 | Y39-D43 HydrophobicContact CE1-CB 3.99Å; Y39-D43 PolarHBondContact OH-OD2 3.4Å; D43-L45 PolarHBondContact O-N 2.97Å; D43-T113 HydrophobicContact CB-CG2 4.42Å; D43-S116 PolarHBondContact OD1-OG 3.45Å; D43-S116 WeakPolarHBondContact OD2-CB 3.42Å; D43-S116 PolarHBondContact OD2-OG 2.97Å |
| 44 | N | 88.3 | Confident | 91.3 | Very high | 120 Ų | 120 | 49 Ų | 49 | 64% | 0.642 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.7 | 174.2 | -76.4 | -15.2 | 0 | 0 | 0 | 109.4 | T113 F114 | N44-T113 CarbonylContact O-C 3.58Å; N44-T113 VanDerWaalsContact O-CA 3.31Å; N44-T113 WeakPolarHBondContact O-CA 3.49Å; N44-F114 PolarHBondContact N-O 3.45Å; N44-F114 VanDerWaalsContact N-O 3.1Å; N44-F114 PolarHBondContact O-N 2.96Å |
| 45 | L | 90.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.5 | 176.1 | -176.4 | 56.3 | 0 | 0 | 0 | 110.4 | D43 Q47 V48 Y64 P66 F89 F111 H112 T113 | D43-L45 PolarHBondContact O-N 2.97Å; L45-Q47 WeakPolarHBondContact CD1-O 3.46Å; L45-V48 HydrophobicContact CD1-CG2 3.64Å; L45-V48 HydrophobicContact CD2-CG2 3.8Å; L45-V48 HydrophobicContact CG-CG2 4.18Å; L45-Y64 HydrophobicContact CD2-CD1 4.13Å; L45-Y64 HydrophobicContact CD2-CE1 3.83Å; L45-P66 VanDerWaalsContact O-CG 3.27Å; L45-P66 WeakPolarHBondContact O-CG 3.23Å; L45-F89 HydrophobicContact CD2-CB 4.11Å; L45-F111 HydrophobicContact CD1-CD1 3.5Å; L45-F111 HydrophobicContact CD1-CE1 4.07Å; L45-F111 HydrophobicContact CD1-CG 4.45Å; L45-F111 HydrophobicContact CD2-CE1 4.28Å; L45-H112 WeakPolarHBondContact CD1-O 3.28Å; L45-T113 HydrophobicContact CD1-CG2 4.3Å |
| 46 | T | 92.1 | Very high | 89.4 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -36.1 | 174.9 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | N65 P66 H112 F114 | T46-N65 PolarHBondContact O-ND2 3.44Å; T46-P66 WeakPolarHBondContact O-CD 3.37Å; T46-H112 PolarHBondContact N-O 2.81Å; T46-H112 VanDerWaalsContact OG1-CB 3.26Å; T46-H112 WeakPolarHBondContact OG1-CB 3.35Å; T46-H112 PolarHBondContact OG1-O 3.23Å; T46-F114 HydrophobicContact CG2-CB 4.5Å |
| 47 | Q | 93.9 | Very high | 88.9 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 153 | 178.3 | -175.2 | 158.4 | -62.7 | 0 | 0 | 111.1 | L45 E49 V63 Y64 H112 | L45-Q47 WeakPolarHBondContact CD1-O 3.46Å; Q47-E49 HydrophobicContact CG-CG 4.22Å; Q47-E49 PolarHBondContact NE2-OE1 3.02Å; Q47-V63 HydrophobicContact CG-CG1 3.89Å; Q47-Y64 CarbonylContact C-O 3.6Å; Q47-Y64 WeakPolarHBondContact CA-O 3.41Å; Q47-H112 HydrophobicContact CB-CB 4.02Å; Q47-H112 PolarHBondContact N-O 3.35Å; Q47-H112 PolarHBondContact O-N 3Å |
| 48 | V | 94.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.4 | 166.5 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | L45 V63 Y64 I92 L110 F111 | L45-V48 HydrophobicContact CD1-CG2 3.64Å; L45-V48 HydrophobicContact CD2-CG2 3.8Å; L45-V48 HydrophobicContact CG-CG2 4.18Å; V48-V63 CarbonylContact O-C 3.51Å; V48-V63 WeakPolarHBondContact O-CA 3.36Å; V48-Y64 HydrophobicContact CG2-CD1 4.22Å; V48-Y64 PolarHBondContact N-O 3.37Å; V48-Y64 PolarHBondContact O-N 3.38Å; V48-I92 HydrophobicContact CB-CD1 4.41Å; V48-I92 HydrophobicContact CG1-CB 4.29Å; V48-I92 HydrophobicContact CG1-CD1 4.39Å; V48-I92 HydrophobicContact CG1-CG1 3.96Å; V48-I92 HydrophobicContact CG1-CG2 3.79Å; V48-L110 CarbonylContact C-O 3.55Å; V48-L110 VanDerWaalsContact CA-O 3.26Å; V48-L110 WeakPolarHBondContact CA-O 3.24Å; V48-F111 HydrophobicContact CG1-CD2 4.21Å; V48-F111 HydrophobicContact CG1-CE2 4.09Å; V48-F111 HydrophobicContact CG1-CZ 4.28Å; V48-F111 HydrophobicContact CG2-CD1 3.64Å; V48-F111 HydrophobicContact CG2-CD2 4.48Å; V48-F111 HydrophobicContact CG2-CE1 3.54Å; V48-F111 HydrophobicContact CG2-CE2 4.44Å; V48-F111 HydrophobicContact CG2-CG 4.11Å; V48-F111 HydrophobicContact CG2-CZ 3.99Å |
| 49 | E | 95.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.5 | 176.3 | -57.3 | -176.3 | -174 | 0 | 0 | 111 | Q47 V63 C109 L110 H112 | Q47-E49 HydrophobicContact CG-CG 4.22Å; Q47-E49 PolarHBondContact NE2-OE1 3.02Å; E49-V63 HydrophobicContact CG-CG1 4.33Å; E49-V63 HydrophobicContact CG-CG2 4.29Å; E49-C109 WeakPolarHBondContact O-CA 3.32Å; E49-L110 HydrophobicContact CB-CB 4.42Å; E49-L110 PolarHBondContact N-O 3.24Å; E49-L110 PolarHBondContact O-N 2.88Å; E49-H112 IonicContact OE1-NE2 3.64Å |
| 50 | W | 97.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.008 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.8 | 165.5 | -85.8 | 100.1 | 0 | 0 | 0 | 109.6 | L35 C37 I61 A62 F82 I92 L94 S108 C109 I123 | L35-W50 HydrophobicContact CB-CH2 3.7Å; L35-W50 HydrophobicContact CB-CZ3 4.11Å; L35-W50 HydrophobicContact CD1-CZ3 4.13Å; C37-W50 HydrophobicContact CB-CH2 3.91Å; C37-W50 HydrophobicContact CB-CZ2 3.47Å; C37-W50 VanDerWaalsContact CB-CZ2 3.47Å; W50-I61 HydrophobicContact CB-CB 4.02Å; W50-I61 HydrophobicContact CB-CG2 4.48Å; W50-I61 WeakPolarHBondContact O-CB 3.43Å; W50-I61 PolarHBondContact O-N 3.28Å; W50-A62 HydrophobicContact CB-CB 4.39Å; W50-A62 PolarHBondContact N-O 3.36Å; W50-A62 PolarHBondContact O-N 2.99Å; W50-F82 AromaticContact CD1-CE1 3.7Å; W50-F82 AromaticContact CD1-CZ 3.93Å; W50-F82 AromaticContact NE1-CE1 3.65Å; W50-I92 WeakPolarHBondContact CZ2-O 3.37Å; W50-I92 PolarHBondContact NE1-O 3.42Å; W50-L94 HydrophobicContact CD2-CB 4.07Å; W50-L94 HydrophobicContact CD2-CD2 4.24Å; W50-L94 HydrophobicContact CE3-CB 4.34Å; W50-L94 HydrophobicContact CE3-CD2 4.09Å; W50-L94 HydrophobicContact CH2-CB 3.98Å; W50-L94 HydrophobicContact CZ2-CB 3.7Å; W50-L94 HydrophobicContact CZ3-CB 4.31Å; W50-L94 HydrophobicContact CZ3-CD2 4.46Å; W50-S108 WeakPolarHBondContact CA-O 3.42Å; W50-C109 HydrophobicContact CD2-CB 4.09Å; W50-C109 HydrophobicContact CE3-CB 4.04Å; W50-C109 HydrophobicContact CH2-CB 3.79Å; W50-C109 HydrophobicContact CZ2-CB 3.8Å; W50-C109 HydrophobicContact CZ3-CB 3.89Å; W50-I123 HydrophobicContact CH2-CD1 3.78Å; W50-I123 HydrophobicContact CZ3-CD1 4.21Å |
| 51 | T | 96.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.4 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | V59 Y107 S108 | T51-V59 CarbonylContact C-O 3.56Å; T51-V59 VanDerWaalsContact CA-O 3.24Å; T51-V59 WeakPolarHBondContact CA-O 3.34Å; T51-Y107 CarbonylContact O-C 3.49Å; T51-Y107 WeakPolarHBondContact O-CA 3.3Å; T51-S108 PolarHBondContact N-O 3.48Å; T51-S108 PolarHBondContact O-N 2.71Å |
| 52 | K | 95.4 | Very high | 90.1 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.1 | 167.5 | -167.9 | 178.3 | -177.5 | 179.5 | 0 | 108.8 | V59 I61 A102 I104 Y107 | K52-V59 PolarHBondContact N-O 3.3Å; K52-V59 PolarHBondContact O-N 3.37Å; K52-I61 HydrophobicContact CB-CD1 4.09Å; K52-I61 HydrophobicContact CB-CG1 4.41Å; K52-A102 PolarHBondContact NZ-O 3.07Å; K52-I104 WeakPolarHBondContact CE-O 3.31Å; K52-I104 PolarHBondContact NZ-O 2.98Å; K52-Y107 HydrophobicContact CB-CD1 4.22Å; K52-Y107 HydrophobicContact CB-CE1 4.08Å; K52-Y107 HydrophobicContact CD-CE1 3.96Å; K52-Y107 HydrophobicContact CD-CE2 4.48Å; K52-Y107 WeakPolarHBondContact CE-OH 3.33Å; K52-Y107 HydrophobicContact CG-CD1 4.24Å; K52-Y107 HydrophobicContact CG-CE1 3.9Å; K52-Y107 HydrophobicContact CG-CE2 4.41Å; K52-Y107 PolarHBondContact NZ-OH 2.94Å |
| 53 | I | 89.1 | Confident | 90.7 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.226 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.3 | 175 | -55.7 | 167 | 0 | 0 | 0 | 107.4 | T58 T106 | I53-T58 HydrophobicContact CG1-CG2 4.31Å; I53-T106 HydrophobicContact CD1-CG2 4.05Å; I53-T106 PolarHBondContact N-O 2.89Å |
| 54 | S | 80.6 | Confident | 90.9 | Very high | 72 Ų | 72 | 52 Ų | 52 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 93.3 | -179.8 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | T56 E57 | S54-T56 PolarHBondContact O-N 3.06Å; S54-E57 PolarHBondContact N-O 2.96Å; S54-E57 PolarHBondContact O-N 3.47Å; S54-E57 VanDerWaalsContact O-N 3.15Å |
| 55 | G | 75.7 | Confident | 91.1 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 77% | 0.773 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -119.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 56 | T | 75.8 | Confident | 91 | Very high | 144 Ų | 144 | 48.2 Ų | 48.2 | 88% | 0.883 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9.7 | 175.8 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | S54 | S54-T56 PolarHBondContact O-N 3.06Š|
| 57 | E | 84.3 | Confident | 90.9 | Very high | 136 Ų | 136 | 51.2 Ų | 51.2 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.6 | -176.7 | -65.9 | -175.4 | 174.7 | 0 | 0 | 111.5 | S54 | S54-E57 PolarHBondContact N-O 2.96Å; S54-E57 PolarHBondContact O-N 3.47Å; S54-E57 VanDerWaalsContact O-N 3.15Å |
| 58 | T | 89.8 | Confident | 90.7 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.3 | 172.4 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | I53 | I53-T58 HydrophobicContact CG1-CG2 4.31Å |
| 59 | V | 93.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.1 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | T51 K52 I61 Y76 | T51-V59 CarbonylContact C-O 3.56Å; T51-V59 VanDerWaalsContact CA-O 3.24Å; T51-V59 WeakPolarHBondContact CA-O 3.34Å; K52-V59 PolarHBondContact N-O 3.3Å; K52-V59 PolarHBondContact O-N 3.37Å; V59-I61 PolarHBondContact O-N 3.18Å; V59-Y76 HydrophobicContact CG1-CE2 3.99Å |
| 60 | N | 95.6 | Very high | 90.1 | Very high | 48 Ų | 48 | 64 Ų | 64 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.5 | 174.9 | -174.3 | -84.6 | 0 | 0 | 0 | 111 | V63 N73 | N60-V63 VanDerWaalsContact ND2-CG2 3.28Å; N60-V63 WeakPolarHBondContact ND2-CG2 3.32Å; N60-N73 WeakPolarHBondContact O-CB 3.07Å; N60-N73 PolarHBondContact O-ND2 3.03Å |
| 61 | I | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -53.8 | 178.9 | -59 | 172 | 0 | 0 | 0 | 109.8 | W50 K52 V59 N73 Y76 V80 L94 Y107 | W50-I61 HydrophobicContact CB-CB 4.02Å; W50-I61 HydrophobicContact CB-CG2 4.48Å; W50-I61 WeakPolarHBondContact O-CB 3.43Å; W50-I61 PolarHBondContact O-N 3.28Å; K52-I61 HydrophobicContact CB-CD1 4.09Å; K52-I61 HydrophobicContact CB-CG1 4.41Å; V59-I61 PolarHBondContact O-N 3.18Å; I61-N73 VanDerWaalsContact O-CB 3.27Å; I61-N73 WeakPolarHBondContact O-CB 3.37Å; I61-N73 PolarHBondContact O-N 2.84Å; I61-Y76 HydrophobicContact CB-CD2 4.36Å; I61-Y76 HydrophobicContact CB-CG 4.42Å; I61-Y76 HydrophobicContact CD1-CE1 4.47Å; I61-Y76 HydrophobicContact CG1-CD1 4.4Å; I61-Y76 HydrophobicContact CG1-CD2 4.3Å; I61-Y76 HydrophobicContact CG1-CE1 4.1Å; I61-Y76 HydrophobicContact CG1-CE2 3.99Å; I61-Y76 HydrophobicContact CG1-CG 4.49Å; I61-Y76 HydrophobicContact CG2-CD1 3.92Å; I61-Y76 HydrophobicContact CG2-CD2 4.23Å; I61-Y76 HydrophobicContact CG2-CE1 4.44Å; I61-Y76 HydrophobicContact CG2-CG 3.8Å; I61-V80 HydrophobicContact CG2-CG2 4.29Å; I61-L94 HydrophobicContact CD1-CD2 4.11Å; I61-L94 HydrophobicContact CG2-CD1 4.29Å; I61-L94 HydrophobicContact CG2-CD2 4.21Å; I61-Y107 HydrophobicContact CD1-CD1 3.52Å; I61-Y107 HydrophobicContact CD1-CE1 3.64Å |
| 62 | A | 95.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 152.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | W50 M70 H71 I72 F82 | W50-A62 HydrophobicContact CB-CB 4.39Å; W50-A62 PolarHBondContact N-O 3.36Å; W50-A62 PolarHBondContact O-N 2.99Å; A62-M70 HydrophobicContact CB-SD 4.37Å; A62-H71 CarbonylContact C-O 3.52Å; A62-H71 WeakPolarHBondContact CA-O 3.49Å; A62-I72 HydrophobicContact CB-CG1 4.2Å; A62-F82 HydrophobicContact CB-CE2 3.94Å; A62-F82 HydrophobicContact CB-CZ 3.7Å |
| 63 | V | 95.4 | Very high | 90 | Very high | 32 Ų | 32 | 70.7 Ų | 70.7 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.7 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | Q47 V48 E49 N60 H71 | Q47-V63 HydrophobicContact CG-CG1 3.89Å; V48-V63 CarbonylContact O-C 3.51Å; V48-V63 WeakPolarHBondContact O-CA 3.36Å; E49-V63 HydrophobicContact CG-CG1 4.33Å; E49-V63 HydrophobicContact CG-CG2 4.29Å; N60-V63 VanDerWaalsContact ND2-CG2 3.28Å; N60-V63 WeakPolarHBondContact ND2-CG2 3.32Å; V63-H71 PolarHBondContact N-O 2.99Å; V63-H71 PolarHBondContact O-N 2.91Å |
| 64 | Y | 92.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 75.4 Ų | 75.4 | 6% | 0.059 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 171.6 | 169.3 | -97.4 | 0 | 0 | 0 | 109.9 | L45 Q47 V48 P66 M70 F89 I92 | L45-Y64 HydrophobicContact CD2-CD1 4.13Å; L45-Y64 HydrophobicContact CD2-CE1 3.83Å; Q47-Y64 CarbonylContact C-O 3.6Å; Q47-Y64 WeakPolarHBondContact CA-O 3.41Å; V48-Y64 HydrophobicContact CG2-CD1 4.22Å; V48-Y64 PolarHBondContact N-O 3.37Å; V48-Y64 PolarHBondContact O-N 3.38Å; Y64-P66 HydrophobicContact CE1-CG 4.24Å; Y64-P66 WeakPolarHBondContact OH-CA 3.38Å; Y64-M70 HydrophobicContact CD2-CB 4.38Å; Y64-F89 HydrophobicContact CD1-CB 4.09Å; Y64-F89 HydrophobicContact CD1-CD1 4.29Å; Y64-F89 HydrophobicContact CD1-CG 4.27Å; Y64-F89 AromaticContact CD2-CD1 3.69Å; Y64-F89 HydrophobicContact CD2-CD1 3.69Å; Y64-F89 AromaticContact CD2-CE1 3.71Å; Y64-F89 HydrophobicContact CD2-CE1 3.71Å; Y64-F89 HydrophobicContact CD2-CG 4.21Å; Y64-F89 HydrophobicContact CD2-CZ 4.24Å; Y64-F89 HydrophobicContact CE1-CB 3.51Å; Y64-F89 HydrophobicContact CE1-CD1 4.06Å; Y64-F89 HydrophobicContact CE1-CD2 4.06Å; Y64-F89 AromaticContact CE1-CG 3.63Å; Y64-F89 HydrophobicContact CE1-CG 3.63Å; Y64-F89 HydrophobicContact CE2-CB 4.36Å; Y64-F89 AromaticContact CE2-CD1 3.4Å; Y64-F89 HydrophobicContact CE2-CD1 3.4Å; Y64-F89 VanDerWaalsContact CE2-CD1 3.4Å; Y64-F89 AromaticContact CE2-CD2 3.69Å; Y64-F89 HydrophobicContact CE2-CD2 3.69Å; Y64-F89 AromaticContact CE2-CE1 3.35Å; Y64-F89 HydrophobicContact CE2-CE1 3.35Å; Y64-F89 AromaticContact CE2-CE2 3.62Å; Y64-F89 HydrophobicContact CE2-CE2 3.62Å; Y64-F89 AromaticContact CE2-CG 3.56Å; Y64-F89 HydrophobicContact CE2-CG 3.56Å; Y64-F89 AromaticContact CE2-CZ 3.46Å; Y64-F89 HydrophobicContact CE2-CZ 3.46Å; Y64-F89 VanDerWaalsContact CE2-CZ 3.46Å; Y64-F89 HydrophobicContact CG-CD1 4.13Å; Y64-F89 AromaticContact CZ-CD1 3.61Å; Y64-F89 AromaticContact CZ-CD2 3.29Å; Y64-F89 AromaticContact CZ-CE1 3.98Å; Y64-F89 AromaticContact CZ-CE2 3.67Å; Y64-F89 AromaticContact CZ-CG 3.23Å; Y64-F89 AromaticContact CZ-CZ 4Å; Y64-F89 WeakPolarHBondContact OH-CD2 3.28Å; Y64-F89 VanDerWaalsContact OH-CE2 3.25Å; Y64-F89 WeakPolarHBondContact OH-CE2 3.39Å; Y64-F89 WeakPolarHBondContact OH-CG 3.26Å; Y64-I92 HydrophobicContact CD1-CD1 4.5Å; Y64-I92 HydrophobicContact CG-CD1 4.17Å |
| 65 | N | 91.2 | Very high | 90.9 | Very high | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.15 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.6 | 170.5 | -174.9 | -73.6 | 0 | 0 | 0 | 109.5 | T46 N67 Y68 H69 | T46-N65 PolarHBondContact O-ND2 3.44Å; N65-N67 PolarHBondContact O-N 2.82Å; N65-N67 VanDerWaalsContact O-N 3.12Å; N65-N67 WeakPolarHBondContact OD1-CB 3.3Å; N65-N67 PolarHBondContact OD1-N 3.44Å; N65-Y68 HydrophobicContact CB-CD2 4.2Å; N65-Y68 PolarHBondContact O-N 2.89Å; N65-Y68 PolarHBondContact OD1-N 2.88Å; N65-H69 PolarHBondContact N-O 2.86Å; N65-H69 VanDerWaalsContact O-CA 3.26Å; N65-H69 WeakPolarHBondContact O-CA 3.31Å; N65-H69 PolarHBondContact O-N 2.95Å |
| 66 | P | 88.9 | Confident | 91.8 | Very high | 49 Ų | 49 | 73.8 Ų | 73.8 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31 | 178.6 | -24.9 | 32.7 | 0 | 0 | 0 | 115 | L45 T46 Y64 | L45-P66 VanDerWaalsContact O-CG 3.27Å; L45-P66 WeakPolarHBondContact O-CG 3.23Å; T46-P66 WeakPolarHBondContact O-CD 3.37Å; Y64-P66 HydrophobicContact CE1-CG 4.24Å; Y64-P66 WeakPolarHBondContact OH-CA 3.38Å |
| 67 | N | 90.1 | Very high | 92.6 | Very high | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -29.5 | -178.1 | -58.2 | -37.9 | 0 | 0 | 0 | 113.1 | N65 | N65-N67 PolarHBondContact O-N 2.82Å; N65-N67 VanDerWaalsContact O-N 3.12Å; N65-N67 WeakPolarHBondContact OD1-CB 3.3Å; N65-N67 PolarHBondContact OD1-N 3.44Å |
| 68 | Y | 88.9 | Confident | 93 | Very high | 189 Ų | 189 | 72.2 Ų | 72.2 | 74% | 0.741 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 3.6 | -175.4 | -56.7 | -70.1 | 0 | 0 | 0 | 114 | N65 | N65-Y68 HydrophobicContact CB-CD2 4.2Å; N65-Y68 PolarHBondContact O-N 2.89Å; N65-Y68 PolarHBondContact OD1-N 2.88Å |
| 69 | H | 88 | Confident | 93.3 | Very high | 125 Ų | 125 | 70.9 Ų | 70.9 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.4 | -161.5 | -178 | -52.6 | -59.6 | 0 | 0 | 0 | 113.6 | N65 | N65-H69 PolarHBondContact N-O 2.86Å; N65-H69 VanDerWaalsContact O-CA 3.26Å; N65-H69 WeakPolarHBondContact O-CA 3.31Å; N65-H69 PolarHBondContact O-N 2.95Å |
| 70 | M | 90.3 | Very high | 93.5 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.8 | -177.1 | -173.8 | 82.1 | 69.9 | 0 | 0 | 110.5 | A62 Y64 I72 F82 I92 | A62-M70 HydrophobicContact CB-SD 4.37Å; Y64-M70 HydrophobicContact CD2-CB 4.38Å; M70-I72 HydrophobicContact CG-CG1 4.11Å; M70-F82 HydrophobicContact CE-CB 4.09Å; M70-F82 HydrophobicContact CE-CD1 3.86Å; M70-F82 HydrophobicContact CE-CD2 3.47Å; M70-F82 VanDerWaalsContact CE-CD2 3.47Å; M70-F82 HydrophobicContact CE-CE1 4.14Å; M70-F82 HydrophobicContact CE-CE2 3.78Å; M70-F82 HydrophobicContact CE-CG 3.5Å; M70-F82 HydrophobicContact CE-CZ 4.1Å; M70-F82 HydrophobicContact CG-CD2 4.17Å; M70-F82 HydrophobicContact CG-CE2 4.12Å; M70-F82 HydrophobicContact SD-CD2 3.81Å; M70-F82 HydrophobicContact SD-CE1 4.41Å; M70-F82 HydrophobicContact SD-CE2 3.51Å; M70-F82 VanDerWaalsContact SD-CE2 3.51Å; M70-F82 HydrophobicContact SD-CG 4.37Å; M70-F82 HydrophobicContact SD-CZ 3.84Å; M70-I92 HydrophobicContact CE-CD1 3.61Å; M70-I92 HydrophobicContact CE-CG1 4.39Å; M70-I92 HydrophobicContact SD-CD1 4.45Å |
| 71 | H | 93.9 | Very high | 93.4 | Very high | 121 Ų | 121 | 68.5 Ų | 68.5 | 56% | 0.56 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.8 | 167.5 | 174.8 | -88.1 | 0 | 0 | 0 | 109.4 | A62 V63 | A62-H71 CarbonylContact C-O 3.52Å; A62-H71 WeakPolarHBondContact CA-O 3.49Å; V63-H71 PolarHBondContact N-O 2.99Å; V63-H71 PolarHBondContact O-N 2.91Å |
| 72 | I | 96.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131 | 175.6 | -56.1 | 178.9 | 0 | 0 | 0 | 108.1 | A62 M70 L77 V80 F82 | A62-I72 HydrophobicContact CB-CG1 4.2Å; M70-I72 HydrophobicContact CG-CG1 4.11Å; I72-L77 HydrophobicContact CB-CD1 4.28Å; I72-V80 HydrophobicContact CG2-CG2 4.03Å; I72-F82 HydrophobicContact CD1-CD2 4.13Å; I72-F82 HydrophobicContact CD1-CE2 3.88Å; I72-F82 HydrophobicContact CG1-CE2 4.07Å |
| 73 | N | 96.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 75.7 Ų | 75.7 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | trans | -58.6 | 137.7 | 176.5 | -173.1 | -42.5 | 0 | 0 | 0 | 110.5 | N60 I61 N75 Y76 L77 | N60-N73 WeakPolarHBondContact O-CB 3.07Å; N60-N73 PolarHBondContact O-ND2 3.03Å; I61-N73 VanDerWaalsContact O-CB 3.27Å; I61-N73 WeakPolarHBondContact O-CB 3.37Å; I61-N73 PolarHBondContact O-N 2.84Å; N73-N75 PolarHBondContact O-N 2.91Å; N73-N75 PolarHBondContact OD1-N 3.05Å; N73-Y76 HydrophobicContact CB-CD2 4.31Å; N73-Y76 WeakPolarHBondContact O-CA 3.36Å; N73-Y76 PolarHBondContact O-N 3.1Å; N73-L77 PolarHBondContact O-N 3.24Å; N73-L77 VanDerWaalsContact O-N 3.09Å | ||
| 74 | H | 95 | Very high | 90.6 | Very high | 143 Ų | 143 | 82.1 Ų | 82.1 | 66% | 0.662 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -38.8 | -178.8 | 68.7 | -53.8 | 0 | 0 | 0 | 114.3 | Y76 L77 | H74-Y76 PolarHBondContact O-N 3.39Å; H74-L77 PolarHBondContact O-N 2.94Å |
| 75 | N | 93.4 | Very high | 89 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | 178.9 | -69.8 | -23.8 | 0 | 0 | 0 | 114 | N73 R79 | N73-N75 PolarHBondContact O-N 2.91Å; N73-N75 PolarHBondContact OD1-N 3.05Å; N75-R79 VanDerWaalsContact O-CD 3.23Å; N75-R79 WeakPolarHBondContact O-CD 3.45Å |
| 76 | Y | 95.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 85.7 Ų | 85.7 | 7% | 0.071 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -7.2 | -178.3 | -68.8 | -88.1 | 0 | 0 | 0 | 113.3 | V59 I61 N73 H74 H78 R79 V80 | V59-Y76 HydrophobicContact CG1-CE2 3.99Å; I61-Y76 HydrophobicContact CB-CD2 4.36Å; I61-Y76 HydrophobicContact CB-CG 4.42Å; I61-Y76 HydrophobicContact CD1-CE1 4.47Å; I61-Y76 HydrophobicContact CG1-CD1 4.4Å; I61-Y76 HydrophobicContact CG1-CD2 4.3Å; I61-Y76 HydrophobicContact CG1-CE1 4.1Å; I61-Y76 HydrophobicContact CG1-CE2 3.99Å; I61-Y76 HydrophobicContact CG1-CG 4.49Å; I61-Y76 HydrophobicContact CG2-CD1 3.92Å; I61-Y76 HydrophobicContact CG2-CD2 4.23Å; I61-Y76 HydrophobicContact CG2-CE1 4.44Å; I61-Y76 HydrophobicContact CG2-CG 3.8Å; N73-Y76 HydrophobicContact CB-CD2 4.31Å; N73-Y76 WeakPolarHBondContact O-CA 3.36Å; N73-Y76 PolarHBondContact O-N 3.1Å; H74-Y76 PolarHBondContact O-N 3.39Å; Y76-H78 VanDerWaalsContact C-N 3.25Å; Y76-H78 PolarHBondContact O-N 3.32Å; Y76-H78 VanDerWaalsContact O-N 3.08Å; Y76-R79 PolarHBondContact O-N 2.99Å; Y76-V80 HydrophobicContact CD1-CG1 4.21Å; Y76-V80 PolarHBondContact O-N 3.23Å; Y76-V80 VanDerWaalsContact O-N 3.13Å |
| 77 | L | 92.5 | Very high | 86 | Confident | 86 Ų | 86 | 89.9 Ų | 89.9 | 45% | 0.45 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -38.6 | -171.2 | -171.5 | 69.1 | 0 | 0 | 0 | 114.3 | I72 N73 H74 | I72-L77 HydrophobicContact CB-CD1 4.28Å; N73-L77 PolarHBondContact O-N 3.24Å; N73-L77 VanDerWaalsContact O-N 3.09Å; H74-L77 PolarHBondContact O-N 2.94Å |
| 78 | H | 93.5 | Very high | 84.7 | Confident | 160 Ų | 160 | 85.8 Ų | 85.8 | 74% | 0.741 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.3 | 179.8 | -57.7 | -56.5 | 0 | 0 | 0 | 113.5 | Y76 | Y76-H78 VanDerWaalsContact C-N 3.25Å; Y76-H78 PolarHBondContact O-N 3.32Å; Y76-H78 VanDerWaalsContact O-N 3.08Å |
| 79 | R | 95.8 | Very high | 84 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -31.8 | -175.4 | -54.7 | -170.5 | 71 | -138 | -5.7 | 112.1 | N75 Y76 F96 Y97 D103 | N75-R79 VanDerWaalsContact O-CD 3.23Å; N75-R79 WeakPolarHBondContact O-CD 3.45Å; Y76-R79 PolarHBondContact O-N 2.99Å; R79-F96 WeakPolarHBondContact O-CA 3.49Å; R79-Y97 PolarHBondContact O-N 3.05Å; R79-D103 IonicContact CZ-OD1 2.91Å; R79-D103 VanDerWaalsContact CZ-OD1 3.24Å; R79-D103 IonicContact CZ-OD2 3.79Å; R79-D103 IonicContact NH1-OD1 3.3Å; R79-D103 PolarHBondContact NH1-OD1 2.78Å; R79-D103 IonicContact NH2-OD1 3.57Å; R79-D103 PolarHBondContact NH2-OD1 3.32Å; R79-D103 IonicContact NH2-OD2 2.91Å; R79-D103 PolarHBondContact NH2-OD2 3.38Å |
| 80 | V | 96.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 157.8 | -175.8 | -54.3 | 0 | 0 | 0 | 0 | 112 | I61 I72 Y76 L94 S95 F96 | I61-V80 HydrophobicContact CG2-CG2 4.29Å; I72-V80 HydrophobicContact CG2-CG2 4.03Å; Y76-V80 HydrophobicContact CD1-CG1 4.21Å; Y76-V80 PolarHBondContact O-N 3.23Å; Y76-V80 VanDerWaalsContact O-N 3.13Å; V80-L94 HydrophobicContact CB-CD1 3.7Å; V80-L94 HydrophobicContact CB-CG 4.24Å; V80-L94 HydrophobicContact CG1-CD1 4.12Å; V80-L94 HydrophobicContact CG1-CD2 4.36Å; V80-L94 HydrophobicContact CG1-CG 4.25Å; V80-L94 HydrophobicContact CG2-CD1 3.77Å; V80-S95 CarbonylContact C-O 3.49Å; V80-S95 WeakPolarHBondContact CA-O 3.49Å; V80-F96 HydrophobicContact CG1-CD1 3.95Å; V80-F96 HydrophobicContact CG1-CE1 3.79Å; V80-F96 HydrophobicContact CG1-CE2 4.34Å; V80-F96 HydrophobicContact CG1-CG 4.31Å; V80-F96 HydrophobicContact CG1-CZ 3.99Å |
| 81 | H | 93.9 | Very high | 83.7 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 164.2 | 170.9 | 62.7 | -81.9 | 0 | 0 | 0 | 110.7 | S95 Y97 | H81-S95 VanDerWaalsContact CE1-CB 3.47Å; H81-S95 WeakPolarHBondContact CE1-CB 3.35Å; H81-S95 PolarHBondContact N-O 3.38Å; H81-S95 PolarHBondContact ND1-O 3.16Å; H81-S95 WeakPolarHBondContact NE2-CB 3.35Å; H81-S95 PolarHBondContact O-N 2.83Å; H81-Y97 HydrophobicContact CB-CE1 4.39Å; H81-Y97 HydrophobicContact CB-CE2 3.74Å; H81-Y97 WeakPolarHBondContact CB-OH 3.43Å; H81-Y97 AromaticContact CE1-CE1 3.98Å; H81-Y97 AromaticContact CG-CE1 3.98Å; H81-Y97 AromaticContact CG-CZ 3.69Å; H81-Y97 AromaticContact ND1-CD1 3.64Å; H81-Y97 AromaticContact ND1-CD2 3.85Å; H81-Y97 AromaticContact ND1-CE1 3.46Å; H81-Y97 WeakPolarHBondContact ND1-CE1 3.2Å; H81-Y97 AromaticContact ND1-CE2 3.68Å; H81-Y97 AromaticContact ND1-CG 3.84Å; H81-Y97 AromaticContact ND1-CZ 3.49Å |
| 82 | F | 91 | Very high | 83.6 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 18% | 0.18 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.8 | 174.2 | -62.5 | -86.2 | 0 | 0 | 0 | 107.9 | W50 A62 M70 I72 I92 S93 L94 | W50-F82 AromaticContact CD1-CE1 3.7Å; W50-F82 AromaticContact CD1-CZ 3.93Å; W50-F82 AromaticContact NE1-CE1 3.65Å; A62-F82 HydrophobicContact CB-CE2 3.94Å; A62-F82 HydrophobicContact CB-CZ 3.7Å; M70-F82 HydrophobicContact CE-CB 4.09Å; M70-F82 HydrophobicContact CE-CD1 3.86Å; M70-F82 HydrophobicContact CE-CD2 3.47Å; M70-F82 VanDerWaalsContact CE-CD2 3.47Å; M70-F82 HydrophobicContact CE-CE1 4.14Å; M70-F82 HydrophobicContact CE-CE2 3.78Å; M70-F82 HydrophobicContact CE-CG 3.5Å; M70-F82 HydrophobicContact CE-CZ 4.1Å; M70-F82 HydrophobicContact CG-CD2 4.17Å; M70-F82 HydrophobicContact CG-CE2 4.12Å; M70-F82 HydrophobicContact SD-CD2 3.81Å; M70-F82 HydrophobicContact SD-CE1 4.41Å; M70-F82 HydrophobicContact SD-CE2 3.51Å; M70-F82 VanDerWaalsContact SD-CE2 3.51Å; M70-F82 HydrophobicContact SD-CG 4.37Å; M70-F82 HydrophobicContact SD-CZ 3.84Å; I72-F82 HydrophobicContact CD1-CD2 4.13Å; I72-F82 HydrophobicContact CD1-CE2 3.88Å; I72-F82 HydrophobicContact CG1-CE2 4.07Å; F82-I92 HydrophobicContact CD1-CG1 4.14Å; F82-I92 HydrophobicContact CE1-CG1 3.95Å; F82-I92 WeakPolarHBondContact CE1-O 3.42Å; F82-S93 WeakPolarHBondContact CD1-O 3.44Å; F82-L94 HydrophobicContact CD1-CD1 4.5Å; F82-L94 HydrophobicContact CE1-CB 4.32Å; F82-L94 HydrophobicContact CE1-CD1 3.65Å; F82-L94 HydrophobicContact CE2-CD1 4.05Å; F82-L94 HydrophobicContact CZ-CD1 3.39Å |
| 83 | L | 76.2 | Confident | 83.5 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 59% | 0.586 | 37% | 0.374 | S | S | * | . | trans | -67.2 | 145.2 | 173.1 | -63.8 | 172.2 | 0 | 0 | 0 | 109 | S85 | L83-S85 PolarHBondContact O-N 3.25Š| ||
| 84 | N | 62.6 | Low | 83.4 | Confident | 167 Ų | 167 | 70.2 Ų | 70.2 | 89% | 0.893 | 37% | 0.366 | S | S | * | . | trans | -36.1 | 109 | -174.2 | -79 | -19.9 | 0 | 0 | 0 | 112.1 | T86 | N84-T86 PolarHBondContact O-N 2.92Š| ||
| 85 | S | 59.6 | Low | 83.5 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | trans | -64 | 120.1 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | L83 F89 | L83-S85 PolarHBondContact O-N 3.25Å; S85-F89 VanDerWaalsContact CB-CD1 3.43Å; S85-F89 VanDerWaalsContact CB-CE1 3.45Å; S85-F89 WeakPolarHBondContact OG-CE1 3.26Å; S85-F89 WeakPolarHBondContact OG-CZ 3.22Å | ||
| 86 | T | 59.6 | Low | 83.7 | Confident | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | trans | -52.5 | 150.3 | 168.3 | 51 | 0 | 0 | 0 | 0 | 110.6 | N84 G88 F89 | N84-T86 PolarHBondContact O-N 2.92Å; T86-G88 PolarHBondContact O-N 3.16Å; T86-F89 PolarHBondContact O-N 2.8Å | ||
| 87 | V | 56.8 | Low | 83.7 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 82% | 0.824 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.9 | 116.2 | 173.9 | 178.9 | 0 | 0 | 0 | 0 | 111 | R90 | V87-R90 PolarHBondContact O-NH1 3.01Š|
| 88 | G | 63.5 | Low | 83.9 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | T86 R90 | T86-G88 PolarHBondContact O-N 3.16Å; G88-R90 PolarHBondContact O-N 2.79Å |
| 89 | F | 73.3 | Confident | 84 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 21% | 0.211 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 51.2 | 31.5 | 173.3 | -74.3 | -98.9 | 0 | 0 | 0 | 114.8 | L45 Y64 S85 T86 N91 I92 | L45-F89 HydrophobicContact CD2-CB 4.11Å; Y64-F89 HydrophobicContact CD1-CB 4.09Å; Y64-F89 HydrophobicContact CD1-CD1 4.29Å; Y64-F89 HydrophobicContact CD1-CG 4.27Å; Y64-F89 AromaticContact CD2-CD1 3.69Å; Y64-F89 HydrophobicContact CD2-CD1 3.69Å; Y64-F89 AromaticContact CD2-CE1 3.71Å; Y64-F89 HydrophobicContact CD2-CE1 3.71Å; Y64-F89 HydrophobicContact CD2-CG 4.21Å; Y64-F89 HydrophobicContact CD2-CZ 4.24Å; Y64-F89 HydrophobicContact CE1-CB 3.51Å; Y64-F89 HydrophobicContact CE1-CD1 4.06Å; Y64-F89 HydrophobicContact CE1-CD2 4.06Å; Y64-F89 AromaticContact CE1-CG 3.63Å; Y64-F89 HydrophobicContact CE1-CG 3.63Å; Y64-F89 HydrophobicContact CE2-CB 4.36Å; Y64-F89 AromaticContact CE2-CD1 3.4Å; Y64-F89 HydrophobicContact CE2-CD1 3.4Å; Y64-F89 VanDerWaalsContact CE2-CD1 3.4Å; Y64-F89 AromaticContact CE2-CD2 3.69Å; Y64-F89 HydrophobicContact CE2-CD2 3.69Å; Y64-F89 AromaticContact CE2-CE1 3.35Å; Y64-F89 HydrophobicContact CE2-CE1 3.35Å; Y64-F89 AromaticContact CE2-CE2 3.62Å; Y64-F89 HydrophobicContact CE2-CE2 3.62Å; Y64-F89 AromaticContact CE2-CG 3.56Å; Y64-F89 HydrophobicContact CE2-CG 3.56Å; Y64-F89 AromaticContact CE2-CZ 3.46Å; Y64-F89 HydrophobicContact CE2-CZ 3.46Å; Y64-F89 VanDerWaalsContact CE2-CZ 3.46Å; Y64-F89 HydrophobicContact CG-CD1 4.13Å; Y64-F89 AromaticContact CZ-CD1 3.61Å; Y64-F89 AromaticContact CZ-CD2 3.29Å; Y64-F89 AromaticContact CZ-CE1 3.98Å; Y64-F89 AromaticContact CZ-CE2 3.67Å; Y64-F89 AromaticContact CZ-CG 3.23Å; Y64-F89 AromaticContact CZ-CZ 4Å; Y64-F89 WeakPolarHBondContact OH-CD2 3.28Å; Y64-F89 VanDerWaalsContact OH-CE2 3.25Å; Y64-F89 WeakPolarHBondContact OH-CE2 3.39Å; Y64-F89 WeakPolarHBondContact OH-CG 3.26Å; S85-F89 VanDerWaalsContact CB-CD1 3.43Å; S85-F89 VanDerWaalsContact CB-CE1 3.45Å; S85-F89 WeakPolarHBondContact OG-CE1 3.26Å; S85-F89 WeakPolarHBondContact OG-CZ 3.22Å; T86-F89 PolarHBondContact O-N 2.8Å; F89-N91 VanDerWaalsContact C-N 3.34Å; F89-I92 HydrophobicContact CD1-CD1 4.3Å |
| 90 | R | 83.1 | Confident | 84 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | trans | -70.2 | -32.2 | 176.3 | -66.7 | -167.9 | -61.9 | -87.7 | -2.9 | 112.8 | V38 Y39 V87 G88 | V38-R90 WeakPolarHBondContact CA-O 3.33Å; Y39-R90 PolarHBondContact N-O 2.98Å; V87-R90 PolarHBondContact O-NH1 3.01Å; G88-R90 PolarHBondContact O-N 2.79Å | ||
| 91 | N | 89.7 | Confident | 83.9 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -98.6 | 115 | 171.3 | -174 | -14.5 | 0 | 0 | 0 | 108.1 | V38 F89 S93 | V38-N91 HydrophobicContact CG2-CB 4.14Å; F89-N91 VanDerWaalsContact C-N 3.34Å; N91-S93 VanDerWaalsContact OD1-CB 3.3Å; N91-S93 WeakPolarHBondContact OD1-CB 3.41Å; N91-S93 PolarHBondContact OD1-N 3.36Å; N91-S93 PolarHBondContact OD1-OG 3.49Å |
| 92 | I | 91.4 | Very high | 83.8 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | trans | -123.3 | 30.6 | -179.7 | -159.8 | 95.4 | 0 | 0 | 0 | 110 | C37 V48 W50 Y64 M70 F82 F89 L94 C109 F111 | C37-I92 HydrophobicContact CB-CG2 3.99Å; C37-I92 PolarHBondContact O-N 2.93Å; V48-I92 HydrophobicContact CB-CD1 4.41Å; V48-I92 HydrophobicContact CG1-CB 4.29Å; V48-I92 HydrophobicContact CG1-CD1 4.39Å; V48-I92 HydrophobicContact CG1-CG1 3.96Å; V48-I92 HydrophobicContact CG1-CG2 3.79Å; W50-I92 WeakPolarHBondContact CZ2-O 3.37Å; W50-I92 PolarHBondContact NE1-O 3.42Å; Y64-I92 HydrophobicContact CD1-CD1 4.5Å; Y64-I92 HydrophobicContact CG-CD1 4.17Å; M70-I92 HydrophobicContact CE-CD1 3.61Å; M70-I92 HydrophobicContact CE-CG1 4.39Å; M70-I92 HydrophobicContact SD-CD1 4.45Å; F82-I92 HydrophobicContact CD1-CG1 4.14Å; F82-I92 HydrophobicContact CE1-CG1 3.95Å; F82-I92 WeakPolarHBondContact CE1-O 3.42Å; F89-I92 HydrophobicContact CD1-CD1 4.3Å; I92-L94 PolarHBondContact O-N 2.85Å; I92-C109 VanDerWaalsContact CG2-SG 3.6Å; I92-F111 HydrophobicContact CB-CZ 4.19Å; I92-F111 HydrophobicContact CG2-CE2 3.57Å; I92-F111 HydrophobicContact CG2-CZ 3.5Å | ||
| 93 | S | 94.3 | Very high | 83.9 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | trans | -58.3 | 129.4 | -175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L35 E36 C37 F82 N91 | L35-S93 WeakPolarHBondContact O-CA 3.48Å; E36-S93 WeakPolarHBondContact CA-OG 3.45Å; C37-S93 PolarHBondContact N-OG 3.21Å; F82-S93 WeakPolarHBondContact CD1-O 3.44Å; N91-S93 VanDerWaalsContact OD1-CB 3.3Å; N91-S93 WeakPolarHBondContact OD1-CB 3.41Å; N91-S93 PolarHBondContact OD1-N 3.36Å; N91-S93 PolarHBondContact OD1-OG 3.49Å | ||
| 94 | L | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.6 | -175.9 | -174.7 | 75.8 | 0 | 0 | 0 | 109.4 | T34 L35 W50 I61 V80 F82 I92 F96 | T34-L94 WeakPolarHBondContact CA-O 3.48Å; L35-L94 HydrophobicContact CB-CB 4.38Å; L35-L94 HydrophobicContact CD1-CD2 4.29Å; L35-L94 PolarHBondContact N-O 3.22Å; L35-L94 PolarHBondContact O-N 2.86Å; L35-L94 VanDerWaalsContact O-N 3.11Å; W50-L94 HydrophobicContact CD2-CB 4.07Å; W50-L94 HydrophobicContact CD2-CD2 4.24Å; W50-L94 HydrophobicContact CE3-CB 4.34Å; W50-L94 HydrophobicContact CE3-CD2 4.09Å; W50-L94 HydrophobicContact CH2-CB 3.98Å; W50-L94 HydrophobicContact CZ2-CB 3.7Å; W50-L94 HydrophobicContact CZ3-CB 4.31Å; W50-L94 HydrophobicContact CZ3-CD2 4.46Å; I61-L94 HydrophobicContact CD1-CD2 4.11Å; I61-L94 HydrophobicContact CG2-CD1 4.29Å; I61-L94 HydrophobicContact CG2-CD2 4.21Å; V80-L94 HydrophobicContact CB-CD1 3.7Å; V80-L94 HydrophobicContact CB-CG 4.24Å; V80-L94 HydrophobicContact CG1-CD1 4.12Å; V80-L94 HydrophobicContact CG1-CD2 4.36Å; V80-L94 HydrophobicContact CG1-CG 4.25Å; V80-L94 HydrophobicContact CG2-CD1 3.77Å; F82-L94 HydrophobicContact CD1-CD1 4.5Å; F82-L94 HydrophobicContact CE1-CB 4.32Å; F82-L94 HydrophobicContact CE1-CD1 3.65Å; F82-L94 HydrophobicContact CE2-CD1 4.05Å; F82-L94 HydrophobicContact CZ-CD1 3.39Å; I92-L94 PolarHBondContact O-N 2.85Å; L94-F96 HydrophobicContact CD2-CE2 4.03Å; L94-F96 HydrophobicContact CD2-CZ 4.29Å; L94-F96 HydrophobicContact CG-CE2 4.39Å |
| 95 | S | 96.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.6 | 178.6 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | T34 V80 H81 | T34-S95 VanDerWaalsContact CG2-OG 3.3Å; T34-S95 WeakPolarHBondContact CG2-OG 3.34Å; T34-S95 PolarHBondContact OG1-OG 2.99Å; V80-S95 CarbonylContact C-O 3.49Å; V80-S95 WeakPolarHBondContact CA-O 3.49Å; H81-S95 VanDerWaalsContact CE1-CB 3.47Å; H81-S95 WeakPolarHBondContact CE1-CB 3.35Å; H81-S95 PolarHBondContact N-O 3.38Å; H81-S95 PolarHBondContact ND1-O 3.16Å; H81-S95 WeakPolarHBondContact NE2-CB 3.35Å; H81-S95 PolarHBondContact O-N 2.83Å |
| 96 | F | 97 | Very high | 87.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 143.6 | 177.6 | -74.3 | -104.7 | 0 | 0 | 0 | 110.6 | M33 L35 R79 V80 L94 A99 D103 Y107 | M33-F96 HydrophobicContact CE-CD1 4.35Å; M33-F96 HydrophobicContact CE-CD2 3.61Å; M33-F96 HydrophobicContact CE-CE1 4.26Å; M33-F96 HydrophobicContact CE-CE2 3.52Å; M33-F96 HydrophobicContact CE-CG 4.05Å; M33-F96 HydrophobicContact CE-CZ 3.86Å; M33-F96 HydrophobicContact CG-CB 4.39Å; M33-F96 HydrophobicContact CG-CD2 3.88Å; M33-F96 HydrophobicContact CG-CG 4.33Å; M33-F96 PolarHBondContact O-N 2.76Å; L35-F96 HydrophobicContact CD1-CE2 4.09Å; L35-F96 HydrophobicContact CG-CE2 4.28Å; R79-F96 WeakPolarHBondContact O-CA 3.49Å; V80-F96 HydrophobicContact CG1-CD1 3.95Å; V80-F96 HydrophobicContact CG1-CE1 3.79Å; V80-F96 HydrophobicContact CG1-CE2 4.34Å; V80-F96 HydrophobicContact CG1-CG 4.31Å; V80-F96 HydrophobicContact CG1-CZ 3.99Å; L94-F96 HydrophobicContact CD2-CE2 4.03Å; L94-F96 HydrophobicContact CD2-CZ 4.29Å; L94-F96 HydrophobicContact CG-CE2 4.39Å; F96-A99 HydrophobicContact CB-CB 3.8Å; F96-A99 HydrophobicContact CD1-CB 3.88Å; F96-A99 HydrophobicContact CG-CB 3.91Å; F96-D103 HydrophobicContact CE1-CB 4.17Å; F96-Y107 HydrophobicContact CZ-CE1 4Å |
| 97 | Y | 96.1 | Very high | 89.7 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 53% | 0.525 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -78.5 | -43.5 | 170.6 | -74.5 | -67.7 | 0 | 0 | 0 | 111.8 | R79 H81 | R79-Y97 PolarHBondContact O-N 3.05Å; H81-Y97 HydrophobicContact CB-CE1 4.39Å; H81-Y97 HydrophobicContact CB-CE2 3.74Å; H81-Y97 WeakPolarHBondContact CB-OH 3.43Å; H81-Y97 AromaticContact CE1-CE1 3.98Å; H81-Y97 AromaticContact CG-CE1 3.98Å; H81-Y97 AromaticContact CG-CZ 3.69Å; H81-Y97 AromaticContact ND1-CD1 3.64Å; H81-Y97 AromaticContact ND1-CD2 3.85Å; H81-Y97 AromaticContact ND1-CE1 3.46Å; H81-Y97 WeakPolarHBondContact ND1-CE1 3.2Å; H81-Y97 AromaticContact ND1-CE2 3.68Å; H81-Y97 AromaticContact ND1-CG 3.84Å; H81-Y97 AromaticContact ND1-CZ 3.49Å |
| 98 | N | 95.7 | Very high | 91.6 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -155.6 | 91 | 177.5 | -170.1 | -2.6 | 0 | 0 | 0 | 108.5 | E31 | E31-N98 CarbonylContact O-C 3.58Å; E31-N98 VanDerWaalsContact O-CA 3.26Å; E31-N98 WeakPolarHBondContact O-CA 2.98Å; E31-N98 PolarHBondContact O-N 2.75Å |
| 99 | A | 96.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | trans | -79 | 149.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L29 S30 E31 M33 F96 D103 | L29-A99 HydrophobicContact CD1-CB 4.18Å; S30-A99 WeakPolarHBondContact O-CB 3.49Å; E31-A99 PolarHBondContact O-N 3.4Å; M33-A99 HydrophobicContact CE-CB 3.9Å; M33-A99 HydrophobicContact CG-CB 4.26Å; M33-A99 HydrophobicContact SD-CB 4.45Å; F96-A99 HydrophobicContact CB-CB 3.8Å; F96-A99 HydrophobicContact CD1-CB 3.88Å; F96-A99 HydrophobicContact CG-CB 3.91Å; A99-D103 WeakPolarHBondContact CA-OD2 3.48Å; A99-D103 HydrophobicContact CB-CB 4.35Å | ||
| 100 | S | 95.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | trans | -129 | 174.6 | -176.5 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | A102 D103 | S100-A102 PolarHBondContact O-N 3.08Å; S100-A102 VanDerWaalsContact O-N 3.12Å; S100-A102 PolarHBondContact OG-N 3.43Å; S100-D103 PolarHBondContact N-OD2 2.87Å; S100-D103 WeakPolarHBondContact O-CA 3.28Å; S100-D103 WeakPolarHBondContact O-CB 3.2Å; S100-D103 PolarHBondContact O-N 3.31Å; S100-D103 PolarHBondContact OG-OD2 2.82Å | ||
| 101 | E | 94.3 | Very high | 94.7 | Very high | 153 Ų | 153 | 35.3 Ų | 35.3 | 72% | 0.715 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -56.8 | -28.3 | 174.1 | -64.3 | -177.8 | 177.5 | 0 | 0 | 112.7 | D103 I104 | E101-D103 PolarHBondContact O-N 3.04Å; E101-D103 VanDerWaalsContact O-N 3.17Å; E101-I104 HydrophobicContact CB-CD1 4.33Å; E101-I104 VanDerWaalsContact O-CB 3.32Å; E101-I104 WeakPolarHBondContact O-CB 2.99Å; E101-I104 WeakPolarHBondContact O-CG1 3.25Å; E101-I104 PolarHBondContact O-N 2.86Å; E101-I104 VanDerWaalsContact O-N 3.1Å |
| 102 | A | 92.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 60% | 0.603 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -65.5 | -15.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K52 S100 | K52-A102 PolarHBondContact NZ-O 3.07Å; S100-A102 PolarHBondContact O-N 3.08Å; S100-A102 VanDerWaalsContact O-N 3.12Å; S100-A102 PolarHBondContact OG-N 3.43Å |
| 103 | D | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -90.8 | -1.4 | 176.6 | -56.3 | -61.1 | 0 | 0 | 0 | 113.2 | M33 R79 F96 A99 S100 E101 G105 Y107 | M33-D103 HydrophobicContact CE-CB 4.09Å; R79-D103 IonicContact CZ-OD1 2.91Å; R79-D103 VanDerWaalsContact CZ-OD1 3.24Å; R79-D103 IonicContact CZ-OD2 3.79Å; R79-D103 IonicContact NH1-OD1 3.3Å; R79-D103 PolarHBondContact NH1-OD1 2.78Å; R79-D103 IonicContact NH2-OD1 3.57Å; R79-D103 PolarHBondContact NH2-OD1 3.32Å; R79-D103 IonicContact NH2-OD2 2.91Å; R79-D103 PolarHBondContact NH2-OD2 3.38Å; F96-D103 HydrophobicContact CE1-CB 4.17Å; A99-D103 WeakPolarHBondContact CA-OD2 3.48Å; A99-D103 HydrophobicContact CB-CB 4.35Å; S100-D103 PolarHBondContact N-OD2 2.87Å; S100-D103 WeakPolarHBondContact O-CA 3.28Å; S100-D103 WeakPolarHBondContact O-CB 3.2Å; S100-D103 PolarHBondContact O-N 3.31Å; S100-D103 PolarHBondContact OG-OD2 2.82Å; E101-D103 PolarHBondContact O-N 3.04Å; E101-D103 VanDerWaalsContact O-N 3.17Å; D103-G105 PolarHBondContact O-N 2.81Å; D103-Y107 VanDerWaalsContact O-CE2 3.3Å; D103-Y107 WeakPolarHBondContact O-CE2 3.18Å; D103-Y107 PolarHBondContact O-OH 3.25Å |
| 104 | I | 94.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 33% | 0.328 | 22% | 0.219 | S | C | . | . | trans | -61.6 | 139.7 | 166.3 | -64.3 | 169.3 | 0 | 0 | 0 | 108.6 | L29 K52 E101 V125 Q127 | L29-I104 HydrophobicContact CD1-CG1 4.48Å; L29-I104 HydrophobicContact CD2-CD1 4.13Å; L29-I104 HydrophobicContact CD2-CG1 3.99Å; K52-I104 WeakPolarHBondContact CE-O 3.31Å; K52-I104 PolarHBondContact NZ-O 2.98Å; E101-I104 HydrophobicContact CB-CD1 4.33Å; E101-I104 VanDerWaalsContact O-CB 3.32Å; E101-I104 WeakPolarHBondContact O-CB 2.99Å; E101-I104 WeakPolarHBondContact O-CG1 3.25Å; E101-I104 PolarHBondContact O-N 2.86Å; E101-I104 VanDerWaalsContact O-N 3.1Å; I104-V125 WeakPolarHBondContact CG2-O 3.42Å; I104-Q127 HydrophobicContact CD1-CB 3.86Å | ||
| 105 | G | 92.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | -172.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D103 V125 | D103-G105 PolarHBondContact O-N 2.81Å; G105-V125 PolarHBondContact N-O 2.88Å; G105-V125 PolarHBondContact O-N 3Å |
| 106 | T | 95.2 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.1 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | I53 I123 | I53-T106 HydrophobicContact CD1-CG2 4.05Å; I53-T106 PolarHBondContact N-O 2.89Å; T106-I123 CarbonylContact C-O 3.54Å |
| 107 | Y | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.6 | 177.2 | -66.2 | -100.4 | 0 | 0 | 0 | 108.9 | L35 T51 K52 I61 F96 D103 K122 I123 V125 | L35-Y107 HydrophobicContact CD1-CD1 3.79Å; L35-Y107 HydrophobicContact CD1-CD2 3.81Å; L35-Y107 HydrophobicContact CD1-CE1 4.29Å; L35-Y107 HydrophobicContact CD1-CE2 4.32Å; L35-Y107 HydrophobicContact CD1-CG 3.54Å; T51-Y107 CarbonylContact O-C 3.49Å; T51-Y107 WeakPolarHBondContact O-CA 3.3Å; K52-Y107 HydrophobicContact CB-CD1 4.22Å; K52-Y107 HydrophobicContact CB-CE1 4.08Å; K52-Y107 HydrophobicContact CD-CE1 3.96Å; K52-Y107 HydrophobicContact CD-CE2 4.48Å; K52-Y107 WeakPolarHBondContact CE-OH 3.33Å; K52-Y107 HydrophobicContact CG-CD1 4.24Å; K52-Y107 HydrophobicContact CG-CE1 3.9Å; K52-Y107 HydrophobicContact CG-CE2 4.41Å; K52-Y107 PolarHBondContact NZ-OH 2.94Å; I61-Y107 HydrophobicContact CD1-CD1 3.52Å; I61-Y107 HydrophobicContact CD1-CE1 3.64Å; F96-Y107 HydrophobicContact CZ-CE1 4Å; D103-Y107 VanDerWaalsContact O-CE2 3.3Å; D103-Y107 WeakPolarHBondContact O-CE2 3.18Å; D103-Y107 PolarHBondContact O-OH 3.25Å; Y107-K122 CarbonylContact O-C 3.52Å; Y107-K122 WeakPolarHBondContact O-CA 3.32Å; Y107-I123 PolarHBondContact N-O 2.98Å; Y107-I123 PolarHBondContact O-N 2.84Å; Y107-V125 HydrophobicContact CD2-CG2 3.8Å; Y107-V125 HydrophobicContact CE2-CB 4.21Å; Y107-V125 HydrophobicContact CE2-CG2 3.65Å |
| 108 | S | 96.3 | Very high | 94 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.8 | 172.9 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | W50 T51 E120 | W50-S108 WeakPolarHBondContact CA-O 3.42Å; T51-S108 PolarHBondContact N-O 3.48Å; T51-S108 PolarHBondContact O-N 2.71Å; S108-E120 WeakPolarHBondContact CB-OE1 3.38Å; S108-E120 VanDerWaalsContact OG-CD 3.3Å; S108-E120 WeakPolarHBondContact OG-CG 3.33Å; S108-E120 PolarHBondContact OG-OE1 3.38Å |
| 109 | C | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.6 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | C37 E49 W50 I92 F111 E120 K121 | C37-C109 HydrophobicContact CB-CB 3.79Å; C37-C109 WeakPolarHBondContact CB-SG 3.45Å; C37-C109 WeakPolarHBondContact SG-CB 3.48Å; C37-C109 CovalentContact SG-SG 2.03Å; C37-C109 PolarHBondContact SG-SG 2.76Å; E49-C109 WeakPolarHBondContact O-CA 3.32Å; W50-C109 HydrophobicContact CD2-CB 4.09Å; W50-C109 HydrophobicContact CE3-CB 4.04Å; W50-C109 HydrophobicContact CH2-CB 3.79Å; W50-C109 HydrophobicContact CZ2-CB 3.8Å; W50-C109 HydrophobicContact CZ3-CB 3.89Å; I92-C109 VanDerWaalsContact CG2-SG 3.6Å; C109-F111 VanDerWaalsContact SG-CE2 3.58Å; C109-E120 CarbonylContact O-C 3.58Å; C109-E120 WeakPolarHBondContact O-CA 3.32Å; C109-K121 PolarHBondContact N-O 2.81Å; C109-K121 PolarHBondContact O-N 2.73Å |
| 110 | L | 95.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.3 | -173.3 | -177.9 | 64.9 | 0 | 0 | 0 | 110.4 | V48 E49 H112 L118 E120 | V48-L110 CarbonylContact C-O 3.55Å; V48-L110 VanDerWaalsContact CA-O 3.26Å; V48-L110 WeakPolarHBondContact CA-O 3.24Å; E49-L110 HydrophobicContact CB-CB 4.42Å; E49-L110 PolarHBondContact N-O 3.24Å; E49-L110 PolarHBondContact O-N 2.88Å; L110-H112 WeakPolarHBondContact CD2-NE2 3.47Å; L110-L118 HydrophobicContact CD1-CB 4.24Å; L110-L118 HydrophobicContact CD1-CD2 4.28Å; L110-E120 HydrophobicContact CD1-CB 3.84Å; L110-E120 HydrophobicContact CD1-CG 4.15Å |
| 111 | F | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.4 | 172.3 | -81.3 | -105.9 | 0 | 0 | 0 | 110 | Y39 L45 V48 I92 C109 T113 L118 W119 | Y39-F111 HydrophobicContact CD2-CB 4.23Å; Y39-F111 HydrophobicContact CD2-CD1 4.19Å; Y39-F111 HydrophobicContact CD2-CG 4.11Å; Y39-F111 AromaticContact CG-CD1 3.96Å; Y39-F111 HydrophobicContact CG-CD1 3.96Å; Y39-F111 HydrophobicContact CG-CE1 4.27Å; Y39-F111 HydrophobicContact CG-CG 4.34Å; L45-F111 HydrophobicContact CD1-CD1 3.5Å; L45-F111 HydrophobicContact CD1-CE1 4.07Å; L45-F111 HydrophobicContact CD1-CG 4.45Å; L45-F111 HydrophobicContact CD2-CE1 4.28Å; V48-F111 HydrophobicContact CG1-CD2 4.21Å; V48-F111 HydrophobicContact CG1-CE2 4.09Å; V48-F111 HydrophobicContact CG1-CZ 4.28Å; V48-F111 HydrophobicContact CG2-CD1 3.64Å; V48-F111 HydrophobicContact CG2-CD2 4.48Å; V48-F111 HydrophobicContact CG2-CE1 3.54Å; V48-F111 HydrophobicContact CG2-CE2 4.44Å; V48-F111 HydrophobicContact CG2-CG 4.11Å; V48-F111 HydrophobicContact CG2-CZ 3.99Å; I92-F111 HydrophobicContact CB-CZ 4.19Å; I92-F111 HydrophobicContact CG2-CE2 3.57Å; I92-F111 HydrophobicContact CG2-CZ 3.5Å; C109-F111 VanDerWaalsContact SG-CE2 3.58Å; F111-T113 HydrophobicContact CB-CG2 4.12Å; F111-L118 WeakPolarHBondContact O-CA 3.3Å; F111-W119 HydrophobicContact CB-CB 4.25Å; F111-W119 HydrophobicContact CB-CE3 4.16Å; F111-W119 AromaticContact CD2-CE3 3.55Å; F111-W119 HydrophobicContact CD2-CE3 3.55Å; F111-W119 AromaticContact CD2-CZ3 3.66Å; F111-W119 HydrophobicContact CD2-CZ3 3.66Å; F111-W119 HydrophobicContact CE2-CE3 4.28Å; F111-W119 AromaticContact CE2-CZ3 3.94Å; F111-W119 HydrophobicContact CE2-CZ3 3.94Å; F111-W119 HydrophobicContact CG-CE3 4.1Å; F111-W119 PolarHBondContact N-O 3.32Å; F111-W119 PolarHBondContact O-N 2.82Å |
| 112 | H | 94.8 | Very high | 93.7 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 21% | 0.213 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.7 | 167.5 | -60.6 | -108.8 | 0 | 0 | 0 | 107.8 | L45 T46 Q47 E49 L110 L118 | L45-H112 WeakPolarHBondContact CD1-O 3.28Å; T46-H112 PolarHBondContact N-O 2.81Å; T46-H112 VanDerWaalsContact OG1-CB 3.26Å; T46-H112 WeakPolarHBondContact OG1-CB 3.35Å; T46-H112 PolarHBondContact OG1-O 3.23Å; Q47-H112 HydrophobicContact CB-CB 4.02Å; Q47-H112 PolarHBondContact N-O 3.35Å; Q47-H112 PolarHBondContact O-N 3Å; E49-H112 IonicContact OE1-NE2 3.64Å; L110-H112 WeakPolarHBondContact CD2-NE2 3.47Å; H112-L118 HydrophobicContact CB-CD2 4.4Å; H112-L118 VanDerWaalsContact CE1-CD2 3.45Å; H112-L118 WeakPolarHBondContact CE1-CD2 3.43Å; H112-L118 WeakPolarHBondContact ND1-CD2 3.38Å |
| 113 | T | 92.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.9 | -175 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | Y39 D43 N44 L45 F111 G117 | Y39-T113 HydrophobicContact CD1-CG2 4.47Å; Y39-T113 HydrophobicContact CE1-CG2 3.89Å; Y39-T113 HydrophobicContact CE2-CG2 4.12Å; Y39-T113 PolarHBondContact OH-OG1 3.31Å; D43-T113 HydrophobicContact CB-CG2 4.42Å; N44-T113 CarbonylContact O-C 3.58Å; N44-T113 VanDerWaalsContact O-CA 3.31Å; N44-T113 WeakPolarHBondContact O-CA 3.49Å; L45-T113 HydrophobicContact CD1-CG2 4.3Å; F111-T113 HydrophobicContact CB-CG2 4.12Å; T113-G117 PolarHBondContact N-O 2.83Å; T113-G117 VanDerWaalsContact O-CA 3.23Å; T113-G117 WeakPolarHBondContact O-CA 3.26Å; T113-G117 PolarHBondContact O-N 3.25Å; T113-G117 PolarHBondContact OG1-O 3.17Å |
| 114 | F | 89.6 | Confident | 94 | Very high | 141 Ų | 141 | 41.6 Ų | 41.6 | 62% | 0.618 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.8 | 172.9 | -177.9 | -91.1 | 0 | 0 | 0 | 109.6 | N44 T46 | N44-F114 PolarHBondContact N-O 3.45Å; N44-F114 VanDerWaalsContact N-O 3.1Å; N44-F114 PolarHBondContact O-N 2.96Å; T46-F114 HydrophobicContact CG2-CB 4.5Å |
| 115 | P | 92.3 | Very high | 94.1 | Very high | 98 Ų | 98 | 38.6 Ų | 38.6 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.9 | -6 | 4.3 | 35.5 | -35.8 | 0 | 0 | 0 | 114.8 | G117 | P115-G117 PolarHBondContact O-N 3.12Š|
| 116 | S | 89.8 | Confident | 94.1 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 47% | 0.469 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.4 | -169.3 | -58.8 | 0 | 0 | 0 | 0 | 115.6 | D43 | D43-S116 PolarHBondContact OD1-OG 3.45Å; D43-S116 WeakPolarHBondContact OD2-CB 3.42Å; D43-S116 PolarHBondContact OD2-OG 2.97Å |
| 117 | G | 92.3 | Very high | 94 | Very high | 31 Ų | 31 | 44 Ų | 44 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.8 | -138 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T113 P115 | T113-G117 PolarHBondContact N-O 2.83Å; T113-G117 VanDerWaalsContact O-CA 3.23Å; T113-G117 WeakPolarHBondContact O-CA 3.26Å; T113-G117 PolarHBondContact O-N 3.25Å; T113-G117 PolarHBondContact OG1-O 3.17Å; P115-G117 PolarHBondContact O-N 3.12Å |
| 118 | L | 93.5 | Very high | 93.5 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 62% | 0.623 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.5 | -174.9 | -62.5 | 178.3 | 0 | 0 | 0 | 111.8 | L110 F111 H112 | L110-L118 HydrophobicContact CD1-CB 4.24Å; L110-L118 HydrophobicContact CD1-CD2 4.28Å; F111-L118 WeakPolarHBondContact O-CA 3.3Å; H112-L118 HydrophobicContact CB-CD2 4.4Å; H112-L118 VanDerWaalsContact CE1-CD2 3.45Å; H112-L118 WeakPolarHBondContact CE1-CD2 3.43Å; H112-L118 WeakPolarHBondContact ND1-CD2 3.38Å |
| 119 | W | 93.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 52 Ų | 52 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 117 | 168.1 | -179.8 | 99.1 | 0 | 0 | 0 | 109.2 | V38 Y39 F111 K121 K191 | V38-W119 WeakPolarHBondContact O-CH2 3.43Å; Y39-W119 HydrophobicContact CD2-CB 4.11Å; Y39-W119 AromaticContact CD2-CD2 3.75Å; Y39-W119 HydrophobicContact CD2-CD2 3.75Å; Y39-W119 AromaticContact CD2-CE3 3.9Å; Y39-W119 HydrophobicContact CD2-CE3 3.9Å; Y39-W119 AromaticContact CD2-CG 3.86Å; Y39-W119 HydrophobicContact CD2-CG 3.86Å; Y39-W119 HydrophobicContact CE2-CB 3.59Å; Y39-W119 AromaticContact CE2-CD1 3.95Å; Y39-W119 HydrophobicContact CE2-CD2 4.02Å; Y39-W119 AromaticContact CE2-CG 3.61Å; Y39-W119 HydrophobicContact CE2-CG 3.61Å; F111-W119 HydrophobicContact CB-CB 4.25Å; F111-W119 HydrophobicContact CB-CE3 4.16Å; F111-W119 AromaticContact CD2-CE3 3.55Å; F111-W119 HydrophobicContact CD2-CE3 3.55Å; F111-W119 AromaticContact CD2-CZ3 3.66Å; F111-W119 HydrophobicContact CD2-CZ3 3.66Å; F111-W119 HydrophobicContact CE2-CE3 4.28Å; F111-W119 AromaticContact CE2-CZ3 3.94Å; F111-W119 HydrophobicContact CE2-CZ3 3.94Å; F111-W119 HydrophobicContact CG-CE3 4.1Å; F111-W119 PolarHBondContact N-O 3.32Å; F111-W119 PolarHBondContact O-N 2.82Å; W119-K121 HydrophobicContact CH2-CB 3.75Å; W119-K121 HydrophobicContact CH2-CD 4.26Å; W119-K121 HydrophobicContact CZ2-CB 4.44Å; W119-K121 HydrophobicContact CZ3-CB 3.88Å; W119-K191 VanDerWaalsContact CD1-NZ 3.34Å; W119-K191 HydrophobicContact CZ2-CB 4.03Å; W119-K191 HydrophobicContact CZ2-CD 3.78Å; W119-K191 HydrophobicContact CZ2-CG 4.32Å |
| 120 | E | 93.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.8 | 179.4 | -164.3 | -177 | -165.7 | 0 | 0 | 110.1 | S108 C109 L110 K122 K191 | S108-E120 WeakPolarHBondContact CB-OE1 3.38Å; S108-E120 VanDerWaalsContact OG-CD 3.3Å; S108-E120 WeakPolarHBondContact OG-CG 3.33Å; S108-E120 PolarHBondContact OG-OE1 3.38Å; C109-E120 CarbonylContact O-C 3.58Å; C109-E120 WeakPolarHBondContact O-CA 3.32Å; L110-E120 HydrophobicContact CD1-CB 3.84Å; L110-E120 HydrophobicContact CD1-CG 4.15Å; E120-K122 HydrophobicContact CG-CG 4.39Å; E120-K122 WeakPolarHBondContact OE1-CE 3.46Å; E120-K122 WeakPolarHBondContact OE2-CE 3.31Å; E120-K122 IonicContact OE2-NZ 4Å; E120-K191 WeakPolarHBondContact O-CE 3.25Å; E120-K191 PolarHBondContact O-NZ 2.9Å |
| 121 | K | 94.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.7 | 164.1 | -174.6 | -179.4 | -179.6 | -174.7 | 0 | 109.8 | D24 T25 E36 C109 W119 I123 K191 | D24-K121 HydrophobicContact CB-CG 4.23Å; D24-K121 WeakPolarHBondContact OD2-CA 3.35Å; T25-K121 WeakPolarHBondContact OG1-CE 3.44Å; T25-K121 PolarHBondContact OG1-NZ 2.83Å; E36-K121 PolarHBondContact O-NZ 2.82Å; C109-K121 PolarHBondContact N-O 2.81Å; C109-K121 PolarHBondContact O-N 2.73Å; W119-K121 HydrophobicContact CH2-CB 3.75Å; W119-K121 HydrophobicContact CH2-CD 4.26Å; W119-K121 HydrophobicContact CZ2-CB 4.44Å; W119-K121 HydrophobicContact CZ3-CB 3.88Å; K121-I123 HydrophobicContact CD-CD1 4.37Å; K121-I123 HydrophobicContact CD-CG1 4.4Å; K121-I123 HydrophobicContact CG-CG1 4.22Å; K121-K191 HydrophobicContact CB-CB 4.39Å; K121-K191 HydrophobicContact CB-CG 4.41Å; K121-K191 HydrophobicContact CD-CB 4.18Å; K121-K191 HydrophobicContact CG-CB 3.96Å; K121-K191 HydrophobicContact CG-CG 4.33Å |
| 122 | K | 94.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.3 | 176.3 | -68.8 | -177.1 | -176.8 | 176.8 | 0 | 111 | F22 D24 T25 Y107 E120 | F22-K122 WeakPolarHBondContact O-CD 3.4Å; D24-K122 WeakPolarHBondContact CB-O 3.33Å; D24-K122 PolarHBondContact N-O 2.03Å; D24-K122 PolarHBondContact OD2-N 2.83Å; T25-K122 PolarHBondContact N-O 3.49Å; Y107-K122 CarbonylContact O-C 3.52Å; Y107-K122 WeakPolarHBondContact O-CA 3.32Å; E120-K122 HydrophobicContact CG-CG 4.39Å; E120-K122 WeakPolarHBondContact OE1-CE 3.46Å; E120-K122 WeakPolarHBondContact OE2-CE 3.31Å; E120-K122 IonicContact OE2-NZ 4Å |
| 123 | I | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.4 | -176.1 | -56.3 | 169.9 | 0 | 0 | 0 | 108.7 | T25 V27 L35 E36 W50 T106 Y107 K121 | T25-I123 CarbonylContact O-C 3.59Å; T25-I123 WeakPolarHBondContact O-CA 3.31Å; V27-I123 HydrophobicContact CB-CG2 4.48Å; V27-I123 HydrophobicContact CG2-CG2 3.74Å; L35-I123 HydrophobicContact CB-CD1 3.85Å; L35-I123 HydrophobicContact CB-CG2 4.41Å; L35-I123 HydrophobicContact CD2-CG2 3.99Å; E36-I123 WeakPolarHBondContact O-CD1 3.44Å; W50-I123 HydrophobicContact CH2-CD1 3.78Å; W50-I123 HydrophobicContact CZ3-CD1 4.21Å; T106-I123 CarbonylContact C-O 3.54Å; Y107-I123 PolarHBondContact N-O 2.98Å; Y107-I123 PolarHBondContact O-N 2.84Å; K121-I123 HydrophobicContact CD-CD1 4.37Å; K121-I123 HydrophobicContact CD-CG1 4.4Å; K121-I123 HydrophobicContact CG-CG1 4.22Å |
| 124 | K | 95.5 | Very high | 88.5 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.265 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.5 | 178.7 | -170.2 | 179 | -178 | 175.8 | 0 | 110.3 | W23 T25 A26 V27 V126 | W23-K124 HydrophobicContact CB-CB 3.92Å; W23-K124 HydrophobicContact CD2-CB 4.22Å; W23-K124 HydrophobicContact CD2-CD 3.65Å; W23-K124 HydrophobicContact CE3-CD 3.6Å; W23-K124 HydrophobicContact CG-CB 3.84Å; W23-K124 HydrophobicContact CG-CD 4.18Å; W23-K124 HydrophobicContact CH2-CD 4.37Å; W23-K124 HydrophobicContact CZ2-CD 4.37Å; W23-K124 HydrophobicContact CZ3-CD 4Å; T25-K124 PolarHBondContact O-N 3.23Å; A26-K124 CarbonylContact C-O 3.56Å; A26-K124 VanDerWaalsContact CA-O 3.26Å; A26-K124 WeakPolarHBondContact CA-O 3.2Å; V27-K124 PolarHBondContact N-O 3.19Å; K124-V126 HydrophobicContact CD-CG1 4.05Å; K124-V126 HydrophobicContact CG-CG1 3.9Å |
| 125 | V | 95.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.1 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | V27 L29 M33 L35 I104 G105 Y107 | V27-V125 WeakPolarHBondContact O-CA 3.46Å; L29-V125 HydrophobicContact CB-CG1 4.1Å; L29-V125 HydrophobicContact CD1-CG1 3.85Å; M33-V125 HydrophobicContact CE-CG1 3.94Å; M33-V125 HydrophobicContact CE-CG2 3.88Å; M33-V125 HydrophobicContact SD-CB 4.46Å; M33-V125 HydrophobicContact SD-CG1 3.64Å; M33-V125 HydrophobicContact SD-CG2 3.92Å; L35-V125 HydrophobicContact CD1-CG2 4.4Å; L35-V125 HydrophobicContact CD2-CG2 3.65Å; I104-V125 WeakPolarHBondContact CG2-O 3.42Å; G105-V125 PolarHBondContact N-O 2.88Å; G105-V125 PolarHBondContact O-N 3Å; Y107-V125 HydrophobicContact CD2-CG2 3.8Å; Y107-V125 HydrophobicContact CE2-CB 4.21Å; Y107-V125 HydrophobicContact CE2-CG2 3.65Å |
| 126 | V | 93.9 | Very high | 87.3 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.1 | -179.3 | -63 | 0 | 0 | 0 | 0 | 111.4 | V27 L29 K124 S128 F131 | V27-V126 PolarHBondContact O-N 2.96Å; L29-V126 PolarHBondContact N-O 3.07Å; K124-V126 HydrophobicContact CD-CG1 4.05Å; K124-V126 HydrophobicContact CG-CG1 3.9Å; V126-S128 PolarHBondContact O-N 2.83Å; V126-F131 HydrophobicContact CG2-CE1 3.91Å; V126-F131 HydrophobicContact CG2-CZ 3.65Å |
| 127 | Q | 92.5 | Very high | 86.8 | Confident | 121 Ų | 121 | 55.3 Ų | 55.3 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | trans | -70.5 | 116 | 160.8 | -168.3 | 66.4 | 29.7 | 0 | 0 | 107.5 | I104 | I104-Q127 HydrophobicContact CD1-CB 3.86Š| ||
| 128 | S | 86.2 | Confident | 86.6 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | trans | -154.1 | 153.3 | 179 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | Q28 V126 | Q28-S128 WeakPolarHBondContact CG-O 3.18Å; Q28-S128 PolarHBondContact NE2-O 2.83Å; V126-S128 PolarHBondContact O-N 2.83Å | ||
| 129 | D | 80.8 | Confident | 86.4 | Confident | 132 Ų | 132 | 53.6 Ų | 53.6 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71 | 177.7 | 157.3 | -62.6 | -39.6 | 0 | 0 | 0 | 109.8 | F131 | D129-F131 PolarHBondContact O-N 3.1Š|
| 130 | S | 82.2 | Confident | 86.3 | Confident | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | trans | -52.2 | 126.9 | 178.4 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | E132 I133 | S130-E132 PolarHBondContact O-N 2.91Å; S130-E132 PolarHBondContact OG-N 2.88Å; S130-I133 WeakPolarHBondContact O-CB 3.43Å; S130-I133 PolarHBondContact O-N 3.3Å | ||
| 131 | F | 85 | Confident | 86.4 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.3 | -177.3 | -63 | -66.1 | 0 | 0 | 0 | 113 | Q28 V126 D129 A135 V169 P171 V174 | Q28-F131 HydrophobicContact CB-CE2 3.82Å; Q28-F131 HydrophobicContact CB-CZ 4.27Å; V126-F131 HydrophobicContact CG2-CE1 3.91Å; V126-F131 HydrophobicContact CG2-CZ 3.65Å; D129-F131 PolarHBondContact O-N 3.1Å; F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 2.8Å; F131-V169 HydrophobicContact CB-CG1 3.9Å; F131-P171 PolarHBondContact N-O 3.02Å; F131-P171 VanDerWaalsContact N-O 3.16Å; F131-V174 HydrophobicContact CB-CG2 3.72Å; F131-V174 HydrophobicContact CD1-CG2 3.92Å; F131-V174 HydrophobicContact CD2-CG2 3.76Å; F131-V174 HydrophobicContact CE1-CG2 4.45Å; F131-V174 HydrophobicContact CE2-CG2 4.28Å; F131-V174 HydrophobicContact CG-CG2 3.54Å |
| 132 | E | 77.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34.7 | 174.9 | -66 | -163.2 | 165.8 | 0 | 0 | 112.3 | S130 A134 A135 V169 P171 L220 | S130-E132 PolarHBondContact O-N 2.91Å; S130-E132 PolarHBondContact OG-N 2.88Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.46Å; E132-A135 CarbonylContact O-C 3.37Å; E132-A135 WeakPolarHBondContact O-CA 3.16Å; E132-A135 PolarHBondContact O-N 2.84Å; E132-V169 HydrophobicContact CG-CG1 4.42Å; E132-P171 HydrophobicContact CG-CG 4.14Å; E132-P171 WeakPolarHBondContact OE1-CD 3.42Å; E132-L220 HydrophobicContact CB-CD1 4.04Å; E132-L220 HydrophobicContact CG-CD1 3.92Å |
| 133 | I | 69.1 | Low | 86.4 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -39.9 | 178.1 | -62 | 175.5 | 0 | 0 | 0 | 109.7 | S130 A135 | S130-I133 WeakPolarHBondContact O-CB 3.43Å; S130-I133 PolarHBondContact O-N 3.3Å; I133-A135 PolarHBondContact O-N 2.96Å |
| 134 | A | 70.3 | Confident | 86.3 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 65% | 0.653 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E132 | E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 3.46Å |
| 135 | A | 75.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | trans | -117.2 | 71.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F131 E132 I133 S137 V169 L220 V236 | F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 2.8Å; E132-A135 CarbonylContact O-C 3.37Å; E132-A135 WeakPolarHBondContact O-CA 3.16Å; E132-A135 PolarHBondContact O-N 2.84Å; I133-A135 PolarHBondContact O-N 2.96Å; A135-S137 PolarHBondContact O-N 3.44Å; A135-V169 HydrophobicContact CB-CG1 4.06Å; A135-L220 HydrophobicContact CB-CD1 4.42Å; A135-V236 HydrophobicContact CB-CG1 4.41Å; A135-V236 HydrophobicContact CB-CG2 4.48Å | ||
| 136 | S | 78.8 | Confident | 86.1 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | trans | -62 | 122.9 | 170.8 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | N138 | S136-N138 PolarHBondContact O-N 2.91Š| ||
| 137 | S | 80.8 | Confident | 86.1 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | trans | -67.4 | 128.7 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | A135 | A135-S137 PolarHBondContact O-N 3.44Š| ||
| 138 | N | 88.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -83.2 | -21.5 | 173.4 | -57.8 | 96.6 | 0 | 0 | 0 | 112.5 | S136 F235 V236 | S136-N138 PolarHBondContact O-N 2.91Å; N138-F235 HydrophobicContact CB-CD2 3.68Å; N138-F235 HydrophobicContact CB-CE2 3.35Å; N138-F235 HydrophobicContact CB-CZ 3.97Å; N138-V236 PolarHBondContact N-O 2.84Å; N138-V236 PolarHBondContact OD1-N 3.17Å |
| 139 | G | 87.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V236 R238 | G139-V236 PolarHBondContact N-O 2.9Å; G139-R238 PolarHBondContact O-N 2.88Å |
| 140 | Y | 92.7 | Very high | 87.4 | Confident | 138 Ų | 138 | 66.7 Ų | 66.7 | 54% | 0.541 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141 | 178.4 | -69.9 | -106.3 | 0 | 0 | 0 | 109.8 | R238 | Y140-R238 WeakPolarHBondContact CA-O 3.46Å; Y140-R238 HydrophobicContact CD1-CB 4.13Å; Y140-R238 HydrophobicContact CD1-CG 4.31Å; Y140-R238 HydrophobicContact CE1-CB 4.32Å; Y140-R238 VanDerWaalsContact CE1-CD 3.49Å; Y140-R238 HydrophobicContact CE1-CG 4.28Å |
| 141 | Q | 94.6 | Very high | 88 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.7 | 170.5 | -168.1 | 170.5 | 15.7 | 0 | 0 | 109.2 | T150 I237 R238 L239 V240 | Q141-T150 PolarHBondContact NE2-O 3.12Å; Q141-I237 HydrophobicContact CB-CG2 3.98Å; Q141-R238 PolarHBondContact N-O 2.58Å; Q141-L239 HydrophobicContact CB-CD1 4.29Å; Q141-L239 HydrophobicContact CG-CD1 4.44Å; Q141-L239 WeakPolarHBondContact O-CA 3.37Å; Q141-V240 PolarHBondContact O-N 2.03Å |
| 142 | Y | 94.9 | Very high | 88.4 | Confident | 160 Ų | 160 | 67.3 Ų | 67.3 | 63% | 0.627 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.7 | 179.5 | -60.8 | -87.6 | 0 | 0 | 0 | 109.2 | V240 | Y142-V240 WeakPolarHBondContact CA-O 3.33Å; Y142-V240 HydrophobicContact CD1-CB 3.75Å; Y142-V240 HydrophobicContact CD1-CG1 4.04Å; Y142-V240 HydrophobicContact CD1-CG2 4.4Å; Y142-V240 HydrophobicContact CE1-CB 3.91Å; Y142-V240 HydrophobicContact CE1-CG1 4.14Å; Y142-V240 HydrophobicContact CE1-CG2 4.1Å |
| 143 | A | 95 | Very high | 89 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V149 L239 V240 I241 T242 | A143-V149 HydrophobicContact CB-CG2 3.38Å; A143-L239 HydrophobicContact CB-CD1 4.49Å; A143-V240 PolarHBondContact N-O 2.85Å; A143-I241 HydrophobicContact CB-CG1 4.32Å; A143-I241 CarbonylContact O-C 3.6Å; A143-I241 VanDerWaalsContact O-CA 3.28Å; A143-I241 WeakPolarHBondContact O-CA 3.41Å; A143-T242 PolarHBondContact O-N 3.43Å; A143-T242 PolarHBondContact O-OG1 3.1Å |
| 144 | E | 94.2 | Very high | 90 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 150.8 | 172.8 | -65.8 | -178.4 | -175.7 | 0 | 0 | 110.9 | G146 Q147 T242 | E144-G146 PolarHBondContact O-N 3.17Å; E144-Q147 HydrophobicContact CB-CG 4.31Å; E144-Q147 WeakPolarHBondContact O-CB 3.3Å; E144-Q147 WeakPolarHBondContact O-CG 3.44Å; E144-Q147 PolarHBondContact O-N 3.06Å; E144-T242 WeakPolarHBondContact CA-O 3.26Å |
| 145 | T | 95.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.8 | 172 | -60 | 0 | 0 | 0 | 0 | 110.8 | A213 T242 | T145-A213 CarbonylContact C-O 3.48Å; T145-A213 WeakPolarHBondContact CA-O 3.47Å; T145-T242 PolarHBondContact N-O 2.9Å |
| 146 | G | 92.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -13 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E144 N212 A213 | E144-G146 PolarHBondContact O-N 3.17Å; G146-N212 WeakPolarHBondContact CA-OD1 3.33Å; G146-A213 PolarHBondContact N-O 3.11Å |
| 147 | Q | 93.9 | Very high | 91.6 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -76.9 | 153.7 | 179.9 | -65.6 | -174.1 | -42.7 | 0 | 0 | 112.7 | E144 V149 N212 A213 | E144-Q147 HydrophobicContact CB-CG 4.31Å; E144-Q147 WeakPolarHBondContact O-CB 3.3Å; E144-Q147 WeakPolarHBondContact O-CG 3.44Å; E144-Q147 PolarHBondContact O-N 3.06Å; Q147-V149 PolarHBondContact O-N 2.92Å; Q147-N212 PolarHBondContact O-N 2.84Å; Q147-A213 VanDerWaalsContact O-CB 3.3Å; Q147-A213 WeakPolarHBondContact O-CB 3.18Å; Q147-A213 PolarHBondContact O-N 2.92Å | ||
| 148 | N | 96.1 | Very high | 91.7 | Very high | 100 Ų | 100 | 77.2 Ų | 77.2 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | trans | -85.7 | 106.3 | 166.7 | -68.2 | -14 | 0 | 0 | 0 | 108.5 | I209 P211 N212 | N148-I209 HydrophobicContact CB-CG2 4.33Å; N148-P211 WeakPolarHBondContact OD1-CA 3.43Å; N148-N212 PolarHBondContact OD1-N 3.13Å | ||
| 149 | V | 95.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.5 | -175.3 | 179 | 0 | 0 | 0 | 0 | 109.7 | A143 Q147 L151 I209 I210 A213 L239 | A143-V149 HydrophobicContact CB-CG2 3.38Å; Q147-V149 PolarHBondContact O-N 2.92Å; V149-L151 HydrophobicContact CG1-CD2 3.89Å; V149-I209 CarbonylContact O-C 3.53Å; V149-I209 VanDerWaalsContact O-CA 3.31Å; V149-I209 WeakPolarHBondContact O-CA 3.34Å; V149-I210 HydrophobicContact CB-CB 4.4Å; V149-I210 PolarHBondContact N-O 3.33Å; V149-I210 PolarHBondContact O-N 2.94Å; V149-A213 HydrophobicContact CB-CB 4.49Å; V149-A213 HydrophobicContact CG2-CB 3.66Å; V149-L239 HydrophobicContact CG1-CD1 3.86Å; V149-L239 HydrophobicContact CG1-CD2 4.32Å |
| 150 | T | 95.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 76 Ų | 76 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.6 | 172.3 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | Q141 V208 I209 | Q141-T150 PolarHBondContact NE2-O 3.12Å; T150-V208 WeakPolarHBondContact CA-O 3.27Å; T150-I209 HydrophobicContact CG2-CG1 4.21Å |
| 151 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.1 | 169.8 | -53 | -176.2 | 0 | 0 | 0 | 108.2 | V149 W166 S207 V208 I210 Y221 I237 L239 | V149-L151 HydrophobicContact CG1-CD2 3.89Å; L151-W166 HydrophobicContact CB-CH2 3.76Å; L151-W166 HydrophobicContact CB-CZ2 4.39Å; L151-W166 HydrophobicContact CB-CZ3 4.03Å; L151-W166 HydrophobicContact CD1-CZ3 4.29Å; L151-S207 CarbonylContact O-C 3.55Å; L151-S207 WeakPolarHBondContact O-CA 3.45Å; L151-V208 HydrophobicContact CB-CG2 3.89Å; L151-V208 HydrophobicContact CD1-CG2 4.2Å; L151-V208 HydrophobicContact CG-CG2 4.36Å; L151-V208 PolarHBondContact N-O 2.46Å; L151-V208 PolarHBondContact O-N 3.24Å; L151-I210 HydrophobicContact CD1-CD1 4Å; L151-I210 HydrophobicContact CG-CD1 4.35Å; L151-Y221 HydrophobicContact CD1-CD1 3.43Å; L151-Y221 VanDerWaalsContact CD1-CD1 3.43Å; L151-Y221 HydrophobicContact CD1-CD2 3.93Å; L151-Y221 HydrophobicContact CD1-CE1 4.01Å; L151-Y221 HydrophobicContact CD1-CE2 4.47Å; L151-Y221 HydrophobicContact CD1-CG 3.38Å; L151-I237 HydrophobicContact CB-CD1 4.22Å; L151-I237 HydrophobicContact CD2-CG2 4.49Å; L151-L239 HydrophobicContact CD2-CD1 4.45Å; L151-L239 HydrophobicContact CD2-CD2 4.42Å |
| 152 | N | 92.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.9 | 178.2 | -170.6 | 66.7 | 0 | 0 | 0 | 111.4 | Q154 | N152-Q154 PolarHBondContact ND2-NE2 2.67Å; N152-Q154 VanDerWaalsContact ND2-NE2 3.16Å; N152-Q154 PolarHBondContact O-N 3.04Å; N152-Q154 PolarHBondContact O-NE2 2.8Å |
| 153 | C | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -71.1 | 118.2 | 176.3 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | L155 W166 Q206 C223 | C153-L155 HydrophobicContact CB-CG 4.45Å; C153-L155 PolarHBondContact O-N 2.79Å; C153-W166 HydrophobicContact CB-CH2 4.4Å; C153-W166 HydrophobicContact CB-CZ2 3.83Å; C153-Q206 HydrophobicContact CB-CB 4.19Å; C153-Q206 VanDerWaalsContact CB-O 3.25Å; C153-Q206 WeakPolarHBondContact CB-O 3.32Å; C153-Q206 PolarHBondContact N-O 2.89Å; C153-Q206 PolarHBondContact O-OE1 2.82Å; C153-C223 HydrophobicContact CB-CB 3.69Å; C153-C223 WeakPolarHBondContact CB-SG 3.49Å; C153-C223 WeakPolarHBondContact SG-CB 3.44Å; C153-C223 CovalentContact SG-SG 2.03Å; C153-C223 PolarHBondContact SG-SG 2.93Å | ||
| 154 | Q | 90.2 | Very high | 90.8 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | trans | -86.5 | 95.3 | -179.8 | -58.3 | -62.4 | -53.8 | 0 | 0 | 109.1 | N152 F235 | N152-Q154 PolarHBondContact ND2-NE2 2.67Å; N152-Q154 VanDerWaalsContact ND2-NE2 3.16Å; N152-Q154 PolarHBondContact O-N 3.04Å; N152-Q154 PolarHBondContact O-NE2 2.8Å; Q154-F235 HydrophobicContact CB-CD1 4.14Å; Q154-F235 HydrophobicContact CB-CD2 3.99Å; Q154-F235 HydrophobicContact CB-CE1 3.88Å; Q154-F235 HydrophobicContact CB-CE2 3.74Å; Q154-F235 HydrophobicContact CB-CG 4.19Å; Q154-F235 HydrophobicContact CB-CZ 3.69Å; Q154-F235 HydrophobicContact CG-CD1 4.2Å; Q154-F235 HydrophobicContact CG-CE1 3.53Å; Q154-F235 HydrophobicContact CG-CE2 4.08Å; Q154-F235 HydrophobicContact CG-CZ 3.49Å; Q154-F235 VanDerWaalsContact CG-CZ 3.49Å | ||
| 155 | L | 88.3 | Confident | 90.7 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | trans | -102.4 | 158.2 | 179.3 | -61.6 | 172.1 | 0 | 0 | 0 | 111.2 | C153 W159 V161 Q206 E233 | C153-L155 HydrophobicContact CB-CG 4.45Å; C153-L155 PolarHBondContact O-N 2.79Å; L155-W159 HydrophobicContact CB-CB 4.14Å; L155-W159 HydrophobicContact CB-CG 4.27Å; L155-V161 HydrophobicContact CD1-CG2 3.66Å; L155-Q206 HydrophobicContact CD1-CG 4.03Å; L155-E233 HydrophobicContact CD2-CB 3.98Å | ||
| 156 | P | 87.9 | Confident | 90.6 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | trans | -56.8 | 147.6 | 173.2 | -23.9 | 33.5 | 0 | 0 | 0 | 112.7 | N158 W159 | P156-N158 PolarHBondContact O-N 2.83Å; P156-W159 HydrophobicContact CB-CB 4.32Å; P156-W159 HydrophobicContact CG-CE3 4.26Å; P156-W159 VanDerWaalsContact O-CB 3.22Å; P156-W159 WeakPolarHBondContact O-CB 3.49Å; P156-W159 PolarHBondContact O-N 3.49Å | ||
| 157 | R | 81.1 | Confident | 90.7 | Very high | 253 Ų | 253 | 57.2 Ų | 57.2 | 96% | 0.955 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.5 | -171.3 | -71.5 | -174.8 | -144.6 | -148.6 | 2.9 | 115.8 | ||
| 158 | N | 84.3 | Confident | 90.8 | Very high | 156 Ų | 156 | 53.1 Ų | 53.1 | 83% | 0.834 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 23.4 | -179.4 | -65.8 | -19.9 | 0 | 0 | 0 | 112.1 | P156 P160 | P156-N158 PolarHBondContact O-N 2.83Å; N158-P160 VanDerWaalsContact O-CD 3.26Å; N158-P160 WeakPolarHBondContact O-CD 3.37Å |
| 159 | W | 86.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | trans | -69.2 | 115.4 | -179 | -173.7 | -100.1 | 0 | 0 | 0 | 110.5 | L155 P156 V161 S225 A227 E231 E233 | L155-W159 HydrophobicContact CB-CB 4.14Å; L155-W159 HydrophobicContact CB-CG 4.27Å; P156-W159 HydrophobicContact CB-CB 4.32Å; P156-W159 HydrophobicContact CG-CE3 4.26Å; P156-W159 VanDerWaalsContact O-CB 3.22Å; P156-W159 WeakPolarHBondContact O-CB 3.49Å; P156-W159 PolarHBondContact O-N 3.49Å; W159-V161 VanDerWaalsContact C-N 3.26Å; W159-V161 PolarHBondContact O-N 2.86Å; W159-S225 PolarHBondContact NE1-OG 3.01Å; W159-A227 HydrophobicContact CD2-CB 4.28Å; W159-A227 HydrophobicContact CH2-CB 3.89Å; W159-A227 HydrophobicContact CZ2-CB 3.54Å; W159-A227 HydrophobicContact CZ3-CB 4.4Å; W159-E231 HydrophobicContact CH2-CB 3.5Å; W159-E231 VanDerWaalsContact CH2-CB 3.5Å; W159-E231 HydrophobicContact CZ2-CB 4.4Å; W159-E231 WeakPolarHBondContact CZ2-O 3.37Å; W159-E231 HydrophobicContact CZ3-CB 4.05Å; W159-E233 HydrophobicContact CD2-CG 4.19Å; W159-E233 HydrophobicContact CE3-CG 3.93Å; W159-E233 HydrophobicContact CH2-CB 3.97Å; W159-E233 HydrophobicContact CH2-CG 3.28Å; W159-E233 HydrophobicContact CZ2-CB 3.72Å; W159-E233 HydrophobicContact CZ2-CG 3.56Å; W159-E233 HydrophobicContact CZ3-CG 3.48Å; W159-E233 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 160 | P | 89 | Confident | 90.7 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | trans | -82.2 | 76.1 | -175.7 | 33.5 | -31.5 | 0 | 0 | 0 | 109.7 | N158 Q162 A227 S228 | N158-P160 VanDerWaalsContact O-CD 3.26Å; N158-P160 WeakPolarHBondContact O-CD 3.37Å; P160-Q162 PolarHBondContact O-N 3.33Å; P160-A227 HydrophobicContact CG-CB 3.97Å; P160-A227 CarbonylContact O-C 3.56Å; P160-A227 VanDerWaalsContact O-CA 3.24Å; P160-A227 WeakPolarHBondContact O-CA 3.36Å; P160-S228 PolarHBondContact O-N 3.05Å | ||
| 161 | V | 88.1 | Confident | 90.5 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 123.3 | -177.1 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L155 W159 V164 L182 I205 Q206 | L155-V161 HydrophobicContact CD1-CG2 3.66Å; W159-V161 VanDerWaalsContact C-N 3.26Å; W159-V161 PolarHBondContact O-N 2.86Å; V161-V164 HydrophobicContact CG1-CG2 3.44Å; V161-V164 VanDerWaalsContact CG1-CG2 3.44Å; V161-L182 WeakPolarHBondContact O-CD1 3.43Å; V161-I205 HydrophobicContact CG1-CD1 4.16Å; V161-I205 HydrophobicContact CG1-CG2 4.09Å; V161-Q206 HydrophobicContact CG2-CG 4.39Å |
| 162 | Q | 88.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -42.4 | 173.4 | -176.1 | 57.1 | 48.5 | 0 | 0 | 111.2 | P160 N181 L182 S183 E226 | P160-Q162 PolarHBondContact O-N 3.33Å; Q162-N181 PolarHBondContact NE2-OD1 3.38Å; Q162-L182 PolarHBondContact O-N 2.93Å; Q162-S183 PolarHBondContact NE2-OG 2.82Å; Q162-E226 WeakPolarHBondContact CA-O 3.19Å; Q162-E226 WeakPolarHBondContact CB-O 3.49Å; Q162-E226 PolarHBondContact N-O 2.83Å |
| 163 | Q | 89.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.6 | 176.9 | 179.6 | 175.5 | -16.7 | 0 | 0 | 110.4 | C180 N181 S225 E226 | Q163-C180 CarbonylContact C-O 3.59Å; Q163-C180 VanDerWaalsContact CA-O 3.24Å; Q163-C180 WeakPolarHBondContact CA-O 3.45Å; Q163-C180 WeakPolarHBondContact CG-O 3.35Å; Q163-N181 HydrophobicContact CG-CB 4.48Å; Q163-S225 CarbonylContact O-C 3.47Å; Q163-S225 VanDerWaalsContact O-CA 3.28Å; Q163-S225 WeakPolarHBondContact O-CA 3.17Å; Q163-S225 PolarHBondContact O-OG 3.45Å; Q163-E226 HydrophobicContact CB-CB 4.31Å; Q163-E226 PolarHBondContact N-O 2.83Å; Q163-E226 PolarHBondContact O-N 2.77Å |
| 164 | V | 91 | Very high | 90.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.3 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | V161 S179 C180 I205 R224 | V161-V164 HydrophobicContact CG1-CG2 3.44Å; V161-V164 VanDerWaalsContact CG1-CG2 3.44Å; V164-S179 WeakPolarHBondContact O-CA 3.4Å; V164-C180 PolarHBondContact N-O 2.83Å; V164-C180 PolarHBondContact O-N 2.83Å; V164-I205 HydrophobicContact CB-CD1 4.44Å; V164-I205 HydrophobicContact CB-CG1 3.92Å; V164-I205 HydrophobicContact CG2-CD1 4.21Å; V164-I205 HydrophobicContact CG2-CG1 3.81Å; V164-R224 CarbonylContact C-O 3.55Å; V164-R224 WeakPolarHBondContact CA-O 3.48Å |
| 165 | M | 92.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 15% | 0.148 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.6 | 175 | -175.1 | 165.1 | 61 | 0 | 0 | 109.9 | F22 E167 I176 A178 C223 R224 | F22-M165 HydrophobicContact CE2-SD 4.46Å; M165-E167 WeakPolarHBondContact CE-OE1 3.23Å; M165-E167 HydrophobicContact CG-CG 4.38Å; M165-I176 HydrophobicContact CG-CG2 4.15Å; M165-I176 HydrophobicContact SD-CD1 3.76Å; M165-I176 HydrophobicContact SD-CG1 4.29Å; M165-I176 HydrophobicContact SD-CG2 4.38Å; M165-A178 CarbonylContact C-O 3.52Å; M165-A178 WeakPolarHBondContact CA-O 3.34Å; M165-C223 CarbonylContact O-C 3.6Å; M165-C223 WeakPolarHBondContact O-CA 3.14Å; M165-R224 PolarHBondContact N-O 2.97Å; M165-R224 PolarHBondContact O-N 3.15Å |
| 166 | W | 93.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.2 | 176.8 | -81.9 | 96.5 | 0 | 0 | 0 | 110.3 | L151 C153 L177 A178 Q206 V208 C223 I237 | L151-W166 HydrophobicContact CB-CH2 3.76Å; L151-W166 HydrophobicContact CB-CZ2 4.39Å; L151-W166 HydrophobicContact CB-CZ3 4.03Å; L151-W166 HydrophobicContact CD1-CZ3 4.29Å; C153-W166 HydrophobicContact CB-CH2 4.4Å; C153-W166 HydrophobicContact CB-CZ2 3.83Å; W166-L177 HydrophobicContact CB-CB 4.17Å; W166-L177 PolarHBondContact O-N 2.83Å; W166-A178 HydrophobicContact CB-CB 4.45Å; W166-A178 PolarHBondContact N-O 3.42Å; W166-A178 PolarHBondContact O-N 2.82Å; W166-Q206 VanDerWaalsContact CZ2-O 3.28Å; W166-Q206 WeakPolarHBondContact CZ2-O 3.44Å; W166-V208 HydrophobicContact CB-CG1 4.07Å; W166-V208 HydrophobicContact CD2-CG1 4.11Å; W166-V208 HydrophobicContact CD2-CG2 3.62Å; W166-V208 HydrophobicContact CE3-CG2 3.91Å; W166-V208 HydrophobicContact CG-CB 4.41Å; W166-V208 HydrophobicContact CG-CG1 3.57Å; W166-V208 HydrophobicContact CG-CG2 3.93Å; W166-V208 HydrophobicContact CH2-CG2 4.46Å; W166-V208 HydrophobicContact CZ2-CG2 4.19Å; W166-V208 HydrophobicContact CZ3-CG2 4.33Å; W166-C223 HydrophobicContact CD2-CB 4.14Å; W166-C223 HydrophobicContact CE3-CB 4.08Å; W166-C223 HydrophobicContact CH2-CB 3.93Å; W166-C223 HydrophobicContact CZ2-CB 3.98Å; W166-C223 HydrophobicContact CZ3-CB 3.97Å; W166-I237 HydrophobicContact CH2-CD1 3.91Å; W166-I237 HydrophobicContact CZ3-CD1 4.28Å |
| 167 | E | 95 | Very high | 91.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.5 | -176.9 | -61.2 | 173.4 | 169.1 | 0 | 0 | 110 | M165 V174 D175 Y221 R222 R224 | M165-E167 WeakPolarHBondContact CE-OE1 3.23Å; M165-E167 HydrophobicContact CG-CG 4.38Å; E167-V174 HydrophobicContact CB-CG1 3.8Å; E167-V174 HydrophobicContact CG-CG1 4.13Å; E167-D175 CarbonylContact C-O 3.54Å; E167-D175 WeakPolarHBondContact CA-O 3.24Å; E167-Y221 CarbonylContact O-C 3.59Å; E167-Y221 WeakPolarHBondContact O-CA 3.48Å; E167-R222 HydrophobicContact CB-CB 4.38Å; E167-R222 PolarHBondContact N-O 3.45Å; E167-R222 PolarHBondContact O-N 3.2Å; E167-R222 IonicContact OE2-CZ 3.18Å; E167-R222 IonicContact OE2-NE 2.76Å; E167-R222 PolarHBondContact OE2-NE 3.28Å; E167-R222 IonicContact OE2-NH2 2.73Å; E167-R222 PolarHBondContact OE2-NH2 3.27Å; E167-R224 IonicContact OE1-CZ 3.32Å; E167-R224 IonicContact OE1-NE 3.57Å; E167-R224 IonicContact OE1-NH1 2.71Å; E167-R224 PolarHBondContact OE1-NH1 2.91Å; E167-R224 IonicContact OE2-CZ 3.32Å; E167-R224 VanDerWaalsContact OE2-CZ 3.32Å; E167-R224 IonicContact OE2-NE 3.38Å; E167-R224 PolarHBondContact OE2-NE 2.87Å; E167-R224 IonicContact OE2-NH1 3.48Å; E167-R224 PolarHBondContact OE2-NH1 2.82Å; E167-R224 IonicContact OE2-NH2 3.84Å |
| 168 | K | 95.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.1 | 161.3 | -172.9 | 176.9 | 178.7 | 71.2 | 0 | 107.7 | Q170 V174 D175 L177 Y192 D217 S218 Y221 | K168-Q170 HydrophobicContact CG-CG 4.43Å; K168-V174 WeakPolarHBondContact O-CA 3.3Å; K168-D175 PolarHBondContact N-O 2.9Å; K168-D175 PolarHBondContact O-N 2.82Å; K168-L177 HydrophobicContact CB-CD1 4.08Å; K168-L177 HydrophobicContact CB-CD2 3.93Å; K168-L177 HydrophobicContact CB-CG 4.24Å; K168-Y192 HydrophobicContact CD-CE1 4.31Å; K168-Y192 HydrophobicContact CD-CE2 4.45Å; K168-Y192 WeakPolarHBondContact CD-OH 3.47Å; K168-D217 PolarHBondContact NZ-O 2.62Å; K168-S218 PolarHBondContact NZ-O 3.05Å; K168-Y221 HydrophobicContact CB-CE1 4.28Å; K168-Y221 HydrophobicContact CD-CE1 4.44Å; K168-Y221 HydrophobicContact CG-CE1 4.23Å; K168-Y221 PolarHBondContact NZ-OH 2.96Å; K168-Y221 VanDerWaalsContact NZ-OH 3.07Å |
| 169 | V | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.2 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | F131 E132 A135 V174 L220 R222 | F131-V169 HydrophobicContact CB-CG1 3.9Å; E132-V169 HydrophobicContact CG-CG1 4.42Å; A135-V169 HydrophobicContact CB-CG1 4.06Å; V169-V174 HydrophobicContact CG1-CG2 4.27Å; V169-V174 HydrophobicContact CG2-CG1 4.38Å; V169-L220 HydrophobicContact CB-CB 4.02Å; V169-L220 PolarHBondContact N-O 3.01Å; V169-R222 HydrophobicContact CG2-CB 3.78Å |
| 170 | Q | 93.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 25.5 Ų | 25.5 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | trans | -126.7 | 165.8 | 175.4 | -59 | 173.3 | 70.6 | 0 | 0 | 108 | K168 H172 Q173 D175 | K168-Q170 HydrophobicContact CG-CG 4.43Å; Q170-H172 VanDerWaalsContact C-N 3.29Å; Q170-H172 PolarHBondContact O-N 3.41Å; Q170-Q173 CarbonylContact C-O 3.53Å; Q170-Q173 WeakPolarHBondContact CA-O 3.32Å; Q170-Q173 HydrophobicContact CB-CG 3.81Å; Q170-Q173 WeakPolarHBondContact CB-O 3.44Å; Q170-Q173 HydrophobicContact CG-CG 4.23Å; Q170-Q173 PolarHBondContact N-O 3.44Å; Q170-Q173 PolarHBondContact O-N 2.77Å; Q170-D175 PolarHBondContact NE2-OD2 2.89Å | ||
| 171 | P | 91.5 | Very high | 92.1 | Very high | 46 Ų | 46 | 23.9 Ų | 23.9 | 30% | 0.299 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -55.5 | -42.7 | -174.7 | -28.2 | 36.5 | 0 | 0 | 0 | 113.8 | F131 E132 | F131-P171 PolarHBondContact N-O 3.02Å; F131-P171 VanDerWaalsContact N-O 3.16Å; E132-P171 HydrophobicContact CG-CG 4.14Å; E132-P171 WeakPolarHBondContact OE1-CD 3.42Å |
| 172 | H | 92.4 | Very high | 91.7 | Very high | 122 Ų | 122 | 25.4 Ų | 25.4 | 57% | 0.565 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -111.3 | -2.9 | -173.4 | -50.5 | -50 | 0 | 0 | 0 | 113.9 | V27 Q28 Q170 | V27-H172 WeakPolarHBondContact CA-O 3.4Å; Q28-H172 PolarHBondContact N-O 3.47Å; Q28-H172 PolarHBondContact OE1-ND1 3.45Å; Q170-H172 VanDerWaalsContact C-N 3.29Å; Q170-H172 PolarHBondContact O-N 3.41Å |
| 173 | Q | 93.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 27.1 Ų | 27.1 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.7 | -177.3 | 65.9 | -177.4 | 3.4 | 0 | 0 | 113.3 | T25 A26 V27 Q170 | T25-Q173 HydrophobicContact CG2-CB 4.49Å; A26-Q173 CarbonylContact O-C 3.59Å; A26-Q173 VanDerWaalsContact O-CA 3.25Å; A26-Q173 WeakPolarHBondContact O-CA 3.49Å; V27-Q173 HydrophobicContact CG2-CB 4.44Å; Q170-Q173 CarbonylContact C-O 3.53Å; Q170-Q173 WeakPolarHBondContact CA-O 3.32Å; Q170-Q173 HydrophobicContact CB-CG 3.81Å; Q170-Q173 WeakPolarHBondContact CB-O 3.44Å; Q170-Q173 HydrophobicContact CG-CG 4.23Å; Q170-Q173 PolarHBondContact N-O 3.44Å; Q170-Q173 PolarHBondContact O-N 2.77Å |
| 174 | V | 95 | Very high | 90.2 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | T25 A26 F131 E167 K168 V169 | T25-V174 CarbonylContact C-O 3.57Å; T25-V174 WeakPolarHBondContact CA-O 2.97Å; A26-V174 HydrophobicContact CB-CB 4.44Å; A26-V174 PolarHBondContact N-O 3.02Å; A26-V174 PolarHBondContact O-N 2.87Å; F131-V174 HydrophobicContact CB-CG2 3.72Å; F131-V174 HydrophobicContact CD1-CG2 3.92Å; F131-V174 HydrophobicContact CD2-CG2 3.76Å; F131-V174 HydrophobicContact CE1-CG2 4.45Å; F131-V174 HydrophobicContact CE2-CG2 4.28Å; F131-V174 HydrophobicContact CG-CG2 3.54Å; E167-V174 HydrophobicContact CB-CG1 3.8Å; E167-V174 HydrophobicContact CG-CG1 4.13Å; K168-V174 WeakPolarHBondContact O-CA 3.3Å; V169-V174 HydrophobicContact CG1-CG2 4.27Å; V169-V174 HydrophobicContact CG2-CG1 4.38Å |
| 175 | D | 95.2 | Very high | 89 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.6 | -179.4 | -66.1 | -72.6 | 0 | 0 | 0 | 111 | T25 E167 K168 Q170 L177 Y192 | T25-D175 WeakPolarHBondContact CB-OD1 2.95Å; T25-D175 WeakPolarHBondContact CG2-OD1 2.89Å; T25-D175 PolarHBondContact OG1-OD1 2.93Å; E167-D175 CarbonylContact C-O 3.54Å; E167-D175 WeakPolarHBondContact CA-O 3.24Å; K168-D175 PolarHBondContact N-O 2.9Å; K168-D175 PolarHBondContact O-N 2.82Å; Q170-D175 PolarHBondContact NE2-OD2 2.89Å; D175-L177 PolarHBondContact O-N 2.82Å; D175-Y192 HydrophobicContact CB-CD2 3.7Å; D175-Y192 HydrophobicContact CB-CE2 4.18Å; D175-Y192 HydrophobicContact CB-CG 4.34Å |
| 176 | I | 93.8 | Very high | 87.6 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.8 | 172.1 | -59.1 | -176.6 | 0 | 0 | 0 | 109.2 | F22 W23 D24 M165 Y188 S190 | F22-I176 HydrophobicContact CE1-CD1 3.84Å; F22-I176 HydrophobicContact CE2-CD1 4.32Å; F22-I176 HydrophobicContact CZ-CD1 3.63Å; F22-I176 HydrophobicContact CZ-CG2 4.3Å; W23-I176 WeakPolarHBondContact O-CD1 3.3Å; D24-I176 PolarHBondContact O-N 2.99Å; M165-I176 HydrophobicContact CG-CG2 4.15Å; M165-I176 HydrophobicContact SD-CD1 3.76Å; M165-I176 HydrophobicContact SD-CG1 4.29Å; M165-I176 HydrophobicContact SD-CG2 4.38Å; I176-Y188 HydrophobicContact CB-CE1 4.28Å; I176-Y188 HydrophobicContact CG2-CD1 3.97Å; I176-Y188 HydrophobicContact CG2-CE1 3.78Å; I176-S190 WeakPolarHBondContact O-CB 3.37Å; I176-S190 PolarHBondContact O-OG 2.9Å |
| 177 | L | 92.9 | Very high | 86.7 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -36.9 | -179.2 | -54 | -178.4 | 0 | 0 | 0 | 112.3 | W166 K168 D175 S190 Y192 I196 Y221 | W166-L177 HydrophobicContact CB-CB 4.17Å; W166-L177 PolarHBondContact O-N 2.83Å; K168-L177 HydrophobicContact CB-CD1 4.08Å; K168-L177 HydrophobicContact CB-CD2 3.93Å; K168-L177 HydrophobicContact CB-CG 4.24Å; D175-L177 PolarHBondContact O-N 2.82Å; L177-S190 WeakPolarHBondContact O-CB 3.07Å; L177-Y192 HydrophobicContact CD2-CD1 3.35Å; L177-Y192 HydrophobicContact CD2-CD2 4.47Å; L177-Y192 HydrophobicContact CD2-CE1 3.73Å; L177-Y192 HydrophobicContact CD2-CG 3.78Å; L177-I196 HydrophobicContact CB-CG1 4.34Å; L177-I196 HydrophobicContact CD2-CG1 4.31Å; L177-Y221 HydrophobicContact CD1-CD1 3.57Å; L177-Y221 HydrophobicContact CD1-CE1 3.58Å |
| 178 | A | 90.8 | Very high | 85.9 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 145.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M165 W166 V208 | M165-A178 CarbonylContact C-O 3.52Å; M165-A178 WeakPolarHBondContact CA-O 3.34Å; W166-A178 HydrophobicContact CB-CB 4.45Å; W166-A178 PolarHBondContact N-O 3.42Å; W166-A178 PolarHBondContact O-N 2.82Å; A178-V208 HydrophobicContact CB-CG1 4.2Å |
| 179 | S | 89.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.7 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | V164 Y188 | V164-S179 WeakPolarHBondContact O-CA 3.4Å; S179-Y188 PolarHBondContact O-N 2.8Å |
| 180 | C | 87.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 121.1 | -175.6 | -161.6 | 0 | 0 | 0 | 0 | 109.7 | Q163 V164 C200 I205 | Q163-C180 CarbonylContact C-O 3.59Å; Q163-C180 VanDerWaalsContact CA-O 3.24Å; Q163-C180 WeakPolarHBondContact CA-O 3.45Å; Q163-C180 WeakPolarHBondContact CG-O 3.35Å; V164-C180 PolarHBondContact N-O 2.83Å; V164-C180 PolarHBondContact O-N 2.83Å; C180-C200 HydrophobicContact CB-CB 4.37Å; C180-C200 WeakPolarHBondContact CB-SG 3.37Å; C180-C200 WeakPolarHBondContact SG-CA 3.43Å; C180-C200 WeakPolarHBondContact SG-CB 3.21Å; C180-C200 CovalentContact SG-SG 2.04Å; C180-C200 PolarHBondContact SG-SG 3.24Å; C180-I205 HydrophobicContact CB-CD1 3.78Å; C180-I205 HydrophobicContact CB-CG1 3.79Å |
| 181 | N | 86.9 | Confident | 84.1 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.8 | 174.4 | -172.9 | -17.2 | 0 | 0 | 0 | 109.7 | Q162 Q163 S183 Q184 G185 T186 | Q162-N181 PolarHBondContact NE2-OD1 3.38Å; Q163-N181 HydrophobicContact CG-CB 4.48Å; N181-S183 PolarHBondContact OD1-N 3.4Å; N181-S183 VanDerWaalsContact OD1-N 3.16Å; N181-S183 PolarHBondContact OD1-OG 2.91Å; N181-Q184 PolarHBondContact ND2-OE1 2.85Å; N181-G185 PolarHBondContact O-N 2.69Å; N181-T186 PolarHBondContact N-O 3.49Å |
| 182 | L | 81.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.6 | -175 | -69.3 | 173.9 | 0 | 0 | 0 | 113.6 | V161 Q162 Q202 I205 | V161-L182 WeakPolarHBondContact O-CD1 3.43Å; Q162-L182 PolarHBondContact O-N 2.93Å; L182-Q202 HydrophobicContact CD1-CG 4.48Å; L182-I205 HydrophobicContact CD1-CD1 3.79Å; L182-I205 HydrophobicContact CD2-CD1 3.74Å; L182-I205 HydrophobicContact CG-CD1 3.47Å; L182-I205 VanDerWaalsContact CG-CD1 3.47Å |
| 183 | S | 75.5 | Confident | 83.7 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -36.6 | -179.6 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | Q162 N181 | Q162-S183 PolarHBondContact NE2-OG 2.82Å; N181-S183 PolarHBondContact OD1-N 3.4Å; N181-S183 VanDerWaalsContact OD1-N 3.16Å; N181-S183 PolarHBondContact OD1-OG 2.91Å |
| 184 | Q | 70.8 | Confident | 83.5 | Confident | 135 Ų | 135 | 50.5 Ų | 50.5 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -15.4 | -177.7 | -64.3 | -179.2 | -15.5 | 0 | 0 | 111.9 | N181 T186 | N181-Q184 PolarHBondContact ND2-OE1 2.85Å; Q184-T186 HydrophobicContact CB-CG2 3.86Å; Q184-T186 PolarHBondContact O-N 3.31Å; Q184-T186 VanDerWaalsContact O-N 3.1Å |
| 185 | G | 65.4 | Low | 83.3 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 11 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N181 | N181-G185 PolarHBondContact O-N 2.69Š|
| 186 | T | 62.6 | Low | 83 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.2 | -175 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | N181 Q184 | N181-T186 PolarHBondContact N-O 3.49Å; Q184-T186 HydrophobicContact CB-CG2 3.86Å; Q184-T186 PolarHBondContact O-N 3.31Å; Q184-T186 VanDerWaalsContact O-N 3.1Å |
| 187 | R | 74.6 | Confident | 82.8 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.9 | 169.3 | -176.5 | -179.7 | -178.7 | 165.8 | 7.3 | 109 | S198 | R187-S198 PolarHBondContact NH2-O 2.95Å; R187-S198 PolarHBondContact NH2-OG 2.68Å |
| 188 | Y | 79.3 | Confident | 82.6 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.7 | 171.4 | 171.8 | -100.6 | 0 | 0 | 0 | 110.5 | F22 D24 I176 S179 | F22-Y188 AromaticContact CD1-CD2 3.87Å; F22-Y188 HydrophobicContact CD1-CD2 3.87Å; F22-Y188 AromaticContact CD1-CE2 3.7Å; F22-Y188 HydrophobicContact CD1-CE2 3.7Å; F22-Y188 AromaticContact CE1-CD1 3.86Å; F22-Y188 HydrophobicContact CE1-CD1 3.86Å; F22-Y188 AromaticContact CE1-CD2 3.32Å; F22-Y188 HydrophobicContact CE1-CD2 3.32Å; F22-Y188 AromaticContact CE1-CE1 3.8Å; F22-Y188 HydrophobicContact CE1-CE1 3.8Å; F22-Y188 AromaticContact CE1-CE2 3.27Å; F22-Y188 HydrophobicContact CE1-CE2 3.27Å; F22-Y188 AromaticContact CE1-CG 3.64Å; F22-Y188 HydrophobicContact CE1-CG 3.64Å; F22-Y188 AromaticContact CE1-CZ 3.55Å; F22-Y188 HydrophobicContact CZ-CD1 4.05Å; F22-Y188 AromaticContact CZ-CD2 4Å; F22-Y188 HydrophobicContact CZ-CD2 4Å; F22-Y188 HydrophobicContact CZ-CE1 4.34Å; F22-Y188 HydrophobicContact CZ-CE2 4.3Å; F22-Y188 AromaticContact CZ-CG 3.88Å; F22-Y188 HydrophobicContact CZ-CG 3.88Å; D24-Y188 VanDerWaalsContact CB-OH 3.3Å; D24-Y188 WeakPolarHBondContact CB-OH 3.43Å; D24-Y188 WeakPolarHBondContact OD1-CE2 3.32Å; D24-Y188 VanDerWaalsContact OD1-CZ 3.23Å; D24-Y188 PolarHBondContact OD1-OH 3.47Å; I176-Y188 HydrophobicContact CB-CE1 4.28Å; I176-Y188 HydrophobicContact CG2-CD1 3.97Å; I176-Y188 HydrophobicContact CG2-CE1 3.78Å; S179-Y188 PolarHBondContact O-N 2.8Å |
| 189 | T | 71.3 | Confident | 82.2 | Confident | 104 Ų | 104 | 70 Ų | 70 | 64% | 0.638 | 36% | 0.359 | S | S | * | . | trans | -88.3 | 109.8 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 190 | S | 85.7 | Confident | 81.9 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | trans | -61.1 | 142.5 | -179.8 | 175.8 | 0 | 0 | 0 | 0 | 113.3 | I176 L177 Y192 | I176-S190 WeakPolarHBondContact O-CB 3.37Å; I176-S190 PolarHBondContact O-OG 2.9Å; L177-S190 WeakPolarHBondContact O-CB 3.07Å; S190-Y192 WeakPolarHBondContact OG-CB 3.16Å; S190-Y192 PolarHBondContact OG-N 2.82Å | ||
| 191 | K | 89.4 | Confident | 81.6 | Confident | 46 Ų | 46 | 73 Ų | 73 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | trans | -95 | 7.2 | 172.1 | -51.1 | -57.8 | 178.8 | 164.6 | 0 | 112.6 | D24 W119 E120 K121 | D24-K191 HydrophobicContact CB-CB 4.26Å; D24-K191 HydrophobicContact CB-CG 4.17Å; D24-K191 WeakPolarHBondContact OD2-CG 3.2Å; W119-K191 VanDerWaalsContact CD1-NZ 3.34Å; W119-K191 HydrophobicContact CZ2-CB 4.03Å; W119-K191 HydrophobicContact CZ2-CD 3.78Å; W119-K191 HydrophobicContact CZ2-CG 4.32Å; E120-K191 WeakPolarHBondContact O-CE 3.25Å; E120-K191 PolarHBondContact O-NZ 2.9Å; K121-K191 HydrophobicContact CB-CB 4.39Å; K121-K191 HydrophobicContact CB-CG 4.41Å; K121-K191 HydrophobicContact CD-CB 4.18Å; K121-K191 HydrophobicContact CG-CB 3.96Å; K121-K191 HydrophobicContact CG-CG 4.33Å | ||
| 192 | Y | 88.5 | Confident | 81 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | trans | -67.6 | 131.6 | 173.1 | -171.7 | -124.8 | 0 | 0 | 0 | 109.7 | K168 D175 L177 S190 R194 I196 | K168-Y192 HydrophobicContact CD-CE1 4.31Å; K168-Y192 HydrophobicContact CD-CE2 4.45Å; K168-Y192 WeakPolarHBondContact CD-OH 3.47Å; D175-Y192 HydrophobicContact CB-CD2 3.7Å; D175-Y192 HydrophobicContact CB-CE2 4.18Å; D175-Y192 HydrophobicContact CB-CG 4.34Å; L177-Y192 HydrophobicContact CD2-CD1 3.35Å; L177-Y192 HydrophobicContact CD2-CD2 4.47Å; L177-Y192 HydrophobicContact CD2-CE1 3.73Å; L177-Y192 HydrophobicContact CD2-CG 3.78Å; S190-Y192 WeakPolarHBondContact OG-CB 3.16Å; S190-Y192 PolarHBondContact OG-N 2.82Å; Y192-R194 VanDerWaalsContact C-N 3.27Å; Y192-R194 HydrophobicContact CD1-CB 3.8Å; Y192-R194 WeakPolarHBondContact CD1-O 3.39Å; Y192-R194 HydrophobicContact CE1-CB 3.44Å; Y192-R194 VanDerWaalsContact CE1-CB 3.44Å; Y192-R194 HydrophobicContact CE1-CG 4.2Å; Y192-R194 PolarHBondContact O-N 2.72Å; Y192-I196 HydrophobicContact CD1-CG1 4.37Å | ||
| 193 | L | 87.5 | Confident | 80.8 | Confident | 100 Ų | 100 | 86.5 Ų | 86.5 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -63 | -36.1 | -170.9 | -172.5 | 66.7 | 0 | 0 | 0 | 112.3 | V38 P40 | V38-L193 HydrophobicContact CB-CD1 4.35Å; V38-L193 HydrophobicContact CG1-CD1 4.04Å; P40-L193 HydrophobicContact CB-CD1 4.29Å |
| 194 | R | 90.6 | Very high | 80.9 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 22% | 0.219 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -77.7 | 123.7 | 177.9 | 178.9 | 66.1 | 169 | 110.2 | -6.5 | 109.9 | Y192 I196 P211 N212 D217 | Y192-R194 VanDerWaalsContact C-N 3.27Å; Y192-R194 HydrophobicContact CD1-CB 3.8Å; Y192-R194 WeakPolarHBondContact CD1-O 3.39Å; Y192-R194 HydrophobicContact CE1-CB 3.44Å; Y192-R194 VanDerWaalsContact CE1-CB 3.44Å; Y192-R194 HydrophobicContact CE1-CG 4.2Å; Y192-R194 PolarHBondContact O-N 2.72Å; R194-I196 HydrophobicContact CG-CD1 4.47Å; R194-I196 PolarHBondContact O-N 3.1Å; R194-P211 PolarHBondContact NH1-O 3.08Å; R194-P211 VanDerWaalsContact NH1-O 3.1Å; R194-P211 PolarHBondContact NH2-O 3.08Å; R194-N212 PolarHBondContact NH2-O 2.9Å; R194-D217 IonicContact CZ-OD2 3.79Å; R194-D217 IonicContact NE-OD1 2.67Å; R194-D217 PolarHBondContact NE-OD1 3.04Å; R194-D217 VanDerWaalsContact NE-OD1 3.1Å; R194-D217 IonicContact NE-OD2 3.24Å; R194-D217 PolarHBondContact NE-OD2 2.67Å; R194-D217 IonicContact NH2-OD2 2.79Å; R194-D217 PolarHBondContact NH2-OD2 3.44Å |
| 195 | R | 89.1 | Confident | 81.5 | Confident | 180 Ų | 180 | 77.2 Ų | 77.2 | 68% | 0.679 | 39% | 0.39 | S | S | * | . | trans | -61.8 | 124 | 176.7 | 179.5 | 176.6 | -83.4 | -173.9 | -4.6 | 111.4 | P211 | R195-P211 WeakPolarHBondContact O-CD 3.3Š| ||
| 196 | I | 90.2 | Very high | 82.5 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | trans | -118.4 | 138.4 | 172.6 | -56 | -62.5 | 0 | 0 | 0 | 108.5 | L177 Y192 R194 V208 I210 | L177-I196 HydrophobicContact CB-CG1 4.34Å; L177-I196 HydrophobicContact CD2-CG1 4.31Å; Y192-I196 HydrophobicContact CD1-CG1 4.37Å; R194-I196 HydrophobicContact CG-CD1 4.47Å; R194-I196 PolarHBondContact O-N 3.1Å; I196-V208 HydrophobicContact CG2-CB 3.93Å; I196-V208 HydrophobicContact CG2-CG1 4.29Å; I196-I210 HydrophobicContact CD1-CG1 3.82Å | ||
| 197 | W | 89.3 | Confident | 83.9 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.1 | 172.5 | -59.1 | -22.9 | 0 | 0 | 0 | 110.2 | V208 I209 P211 | W197-V208 CarbonylContact O-C 3.5Å; W197-V208 WeakPolarHBondContact O-CA 3.48Å; W197-I209 HydrophobicContact CB-CB 4.18Å; W197-I209 HydrophobicContact CE3-CB 4.46Å; W197-I209 HydrophobicContact CE3-CG2 4.14Å; W197-I209 PolarHBondContact N-O 2.04Å; W197-I209 PolarHBondContact O-N 3.06Å; W197-P211 HydrophobicContact CD2-CB 4.33Å; W197-P211 HydrophobicContact CD2-CG 4.2Å; W197-P211 HydrophobicContact CE3-CB 4.27Å; W197-P211 HydrophobicContact CH2-CB 3.89Å; W197-P211 HydrophobicContact CZ2-CB 3.94Å; W197-P211 HydrophobicContact CZ2-CG 4.14Å; W197-P211 HydrophobicContact CZ3-CB 4.06Å |
| 198 | S | 87.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.4 | 171.2 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | R187 | R187-S198 PolarHBondContact NH2-O 2.95Å; R187-S198 PolarHBondContact NH2-OG 2.68Å |
| 199 | N | 83 | Confident | 85.5 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | trans | -122.3 | 128.1 | 168.4 | -174.7 | 4.2 | 0 | 0 | 0 | 108.4 | S201 S204 I205 | N199-S201 VanDerWaalsContact C-N 3.3Å; N199-S201 PolarHBondContact O-N 2.9Å; N199-S204 WeakPolarHBondContact CB-OG 3.2Å; N199-S204 PolarHBondContact ND2-OG 2.91Å; N199-S204 CarbonylContact O-C 3.51Å; N199-S204 PolarHBondContact O-OG 3Å; N199-I205 PolarHBondContact O-N 2.76Å | ||
| 200 | C | 82.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 28% | 0.284 | 31% | 0.306 | S | S | . | . | trans | -96.4 | 58.1 | -176 | -92.5 | 0 | 0 | 0 | 0 | 109.7 | C180 | C180-C200 HydrophobicContact CB-CB 4.37Å; C180-C200 WeakPolarHBondContact CB-SG 3.37Å; C180-C200 WeakPolarHBondContact SG-CA 3.43Å; C180-C200 WeakPolarHBondContact SG-CB 3.21Å; C180-C200 CovalentContact SG-SG 2.04Å; C180-C200 PolarHBondContact SG-SG 3.24Å | ||
| 201 | S | 82.2 | Confident | 87.1 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -119.1 | 156.7 | 172.6 | 73.9 | 0 | 0 | 0 | 0 | 110.1 | N199 E203 S204 I205 | N199-S201 VanDerWaalsContact C-N 3.3Å; N199-S201 PolarHBondContact O-N 2.9Å; S201-E203 PolarHBondContact O-N 3.16Å; S201-E203 VanDerWaalsContact O-N 3.08Å; S201-S204 PolarHBondContact O-N 3.46Å; S201-S204 PolarHBondContact OG-OG 3.5Å; S201-I205 VanDerWaalsContact O-CB 3.31Å; S201-I205 WeakPolarHBondContact O-CB 3.13Å; S201-I205 PolarHBondContact O-N 3.44Å |
| 202 | Q | 75.8 | Confident | 87.3 | Confident | 165 Ų | 165 | 65 Ų | 65 | 77% | 0.771 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -34.8 | -179.8 | -78.7 | 174.8 | -28.2 | 0 | 0 | 113 | L182 | L182-Q202 HydrophobicContact CD1-CG 4.48Š|
| 203 | E | 75.1 | Confident | 87.6 | Confident | 194 Ų | 194 | 62.6 Ų | 62.6 | 91% | 0.907 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -21.5 | -178.3 | -61.8 | -179.6 | 174.8 | 0 | 0 | 114 | S201 | S201-E203 PolarHBondContact O-N 3.16Å; S201-E203 VanDerWaalsContact O-N 3.08Å |
| 204 | S | 79.4 | Confident | 87.9 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -6.7 | -168.6 | 66 | 0 | 0 | 0 | 0 | 115.1 | N199 S201 Q206 S207 | N199-S204 WeakPolarHBondContact CB-OG 3.2Å; N199-S204 PolarHBondContact ND2-OG 2.91Å; N199-S204 CarbonylContact O-C 3.51Å; N199-S204 PolarHBondContact O-OG 3Å; S201-S204 PolarHBondContact O-N 3.46Å; S201-S204 PolarHBondContact OG-OG 3.5Å; S204-Q206 PolarHBondContact O-N 2.94Å; S204-S207 PolarHBondContact O-N 3.3Å; S204-S207 PolarHBondContact O-OG 2.81Å |
| 205 | I | 81.8 | Confident | 88 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.1 | -178.8 | -173.4 | 166.8 | 0 | 0 | 0 | 113.6 | V161 V164 C180 L182 N199 S201 S207 | V161-I205 HydrophobicContact CG1-CD1 4.16Å; V161-I205 HydrophobicContact CG1-CG2 4.09Å; V164-I205 HydrophobicContact CB-CD1 4.44Å; V164-I205 HydrophobicContact CB-CG1 3.92Å; V164-I205 HydrophobicContact CG2-CD1 4.21Å; V164-I205 HydrophobicContact CG2-CG1 3.81Å; C180-I205 HydrophobicContact CB-CD1 3.78Å; C180-I205 HydrophobicContact CB-CG1 3.79Å; L182-I205 HydrophobicContact CD1-CD1 3.79Å; L182-I205 HydrophobicContact CD2-CD1 3.74Å; L182-I205 HydrophobicContact CG-CD1 3.47Å; L182-I205 VanDerWaalsContact CG-CD1 3.47Å; N199-I205 PolarHBondContact O-N 2.76Å; S201-I205 VanDerWaalsContact O-CB 3.31Å; S201-I205 WeakPolarHBondContact O-CB 3.13Å; S201-I205 PolarHBondContact O-N 3.44Å; I205-S207 VanDerWaalsContact C-N 3.26Å; I205-S207 PolarHBondContact O-N 3.44Å |
| 206 | Q | 87.2 | Confident | 88.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.9 | -178.8 | -59 | 179 | 29.8 | 0 | 0 | 113.1 | C153 L155 V161 W166 S204 | C153-Q206 HydrophobicContact CB-CB 4.19Å; C153-Q206 VanDerWaalsContact CB-O 3.25Å; C153-Q206 WeakPolarHBondContact CB-O 3.32Å; C153-Q206 PolarHBondContact N-O 2.89Å; C153-Q206 PolarHBondContact O-OE1 2.82Å; L155-Q206 HydrophobicContact CD1-CG 4.03Å; V161-Q206 HydrophobicContact CG2-CG 4.39Å; W166-Q206 VanDerWaalsContact CZ2-O 3.28Å; W166-Q206 WeakPolarHBondContact CZ2-O 3.44Å; S204-Q206 PolarHBondContact O-N 2.94Å |
| 207 | S | 91.4 | Very high | 88.5 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.9 | -171.3 | 70 | 0 | 0 | 0 | 0 | 113.6 | L151 S204 I205 | L151-S207 CarbonylContact O-C 3.55Å; L151-S207 WeakPolarHBondContact O-CA 3.45Å; S204-S207 PolarHBondContact O-N 3.3Å; S204-S207 PolarHBondContact O-OG 2.81Å; I205-S207 VanDerWaalsContact C-N 3.26Å; I205-S207 PolarHBondContact O-N 3.44Å |
| 208 | V | 93.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148 | 169.4 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | T150 L151 W166 A178 I196 W197 | T150-V208 WeakPolarHBondContact CA-O 3.27Å; L151-V208 HydrophobicContact CB-CG2 3.89Å; L151-V208 HydrophobicContact CD1-CG2 4.2Å; L151-V208 HydrophobicContact CG-CG2 4.36Å; L151-V208 PolarHBondContact N-O 2.46Å; L151-V208 PolarHBondContact O-N 3.24Å; W166-V208 HydrophobicContact CB-CG1 4.07Å; W166-V208 HydrophobicContact CD2-CG1 4.11Å; W166-V208 HydrophobicContact CD2-CG2 3.62Å; W166-V208 HydrophobicContact CE3-CG2 3.91Å; W166-V208 HydrophobicContact CG-CB 4.41Å; W166-V208 HydrophobicContact CG-CG1 3.57Å; W166-V208 HydrophobicContact CG-CG2 3.93Å; W166-V208 HydrophobicContact CH2-CG2 4.46Å; W166-V208 HydrophobicContact CZ2-CG2 4.19Å; W166-V208 HydrophobicContact CZ3-CG2 4.33Å; A178-V208 HydrophobicContact CB-CG1 4.2Å; I196-V208 HydrophobicContact CG2-CB 3.93Å; I196-V208 HydrophobicContact CG2-CG1 4.29Å; W197-V208 CarbonylContact O-C 3.5Å; W197-V208 WeakPolarHBondContact O-CA 3.48Å |
| 209 | I | 94.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.7 | -178.1 | -53.8 | 168.8 | 0 | 0 | 0 | 109.1 | N148 V149 T150 W197 P211 | N148-I209 HydrophobicContact CB-CG2 4.33Å; V149-I209 CarbonylContact O-C 3.53Å; V149-I209 VanDerWaalsContact O-CA 3.31Å; V149-I209 WeakPolarHBondContact O-CA 3.34Å; T150-I209 HydrophobicContact CG2-CG1 4.21Å; W197-I209 HydrophobicContact CB-CB 4.18Å; W197-I209 HydrophobicContact CE3-CB 4.46Å; W197-I209 HydrophobicContact CE3-CG2 4.14Å; W197-I209 PolarHBondContact N-O 2.04Å; W197-I209 PolarHBondContact O-N 3.06Å; I209-P211 WeakPolarHBondContact O-CD 3.42Å |
| 210 | I | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 101.2 | 170.3 | -56.2 | 166.9 | 0 | 0 | 0 | 106.8 | V149 L151 I196 A213 D217 Y221 L239 | V149-I210 HydrophobicContact CB-CB 4.4Å; V149-I210 PolarHBondContact N-O 3.33Å; V149-I210 PolarHBondContact O-N 2.94Å; L151-I210 HydrophobicContact CD1-CD1 4Å; L151-I210 HydrophobicContact CG-CD1 4.35Å; I196-I210 HydrophobicContact CD1-CG1 3.82Å; I210-A213 HydrophobicContact CG2-CB 4.2Å; I210-D217 HydrophobicContact CG2-CB 4.21Å; I210-Y221 HydrophobicContact CD1-CE1 3.86Å; I210-Y221 HydrophobicContact CD1-CE2 4.33Å; I210-L239 HydrophobicContact CD1-CD2 3.63Å |
| 211 | P | 95.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77.3 | 138.5 | -177.1 | 30.5 | -34.3 | 0 | 0 | 0 | 111.1 | N148 R194 R195 W197 I209 | N148-P211 WeakPolarHBondContact OD1-CA 3.43Å; R194-P211 PolarHBondContact NH1-O 3.08Å; R194-P211 VanDerWaalsContact NH1-O 3.1Å; R194-P211 PolarHBondContact NH2-O 3.08Å; R195-P211 WeakPolarHBondContact O-CD 3.3Å; W197-P211 HydrophobicContact CD2-CB 4.33Å; W197-P211 HydrophobicContact CD2-CG 4.2Å; W197-P211 HydrophobicContact CE3-CB 4.27Å; W197-P211 HydrophobicContact CH2-CB 3.89Å; W197-P211 HydrophobicContact CZ2-CB 3.94Å; W197-P211 HydrophobicContact CZ2-CG 4.14Å; W197-P211 HydrophobicContact CZ3-CB 4.06Å; I209-P211 WeakPolarHBondContact O-CD 3.42Å |
| 212 | N | 94.2 | Very high | 91 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 50.8 | 62.3 | 179.9 | -175.2 | 45.6 | 0 | 0 | 0 | 112 | G146 Q147 N148 R194 | G146-N212 WeakPolarHBondContact CA-OD1 3.33Å; Q147-N212 PolarHBondContact O-N 2.84Å; N148-N212 PolarHBondContact OD1-N 3.13Å; R194-N212 PolarHBondContact NH2-O 2.9Å |
| 213 | A | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -65.1 | 142.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T145 G146 Q147 V149 I210 D217 I241 | T145-A213 CarbonylContact C-O 3.48Å; T145-A213 WeakPolarHBondContact CA-O 3.47Å; G146-A213 PolarHBondContact N-O 3.11Å; Q147-A213 VanDerWaalsContact O-CB 3.3Å; Q147-A213 WeakPolarHBondContact O-CB 3.18Å; Q147-A213 PolarHBondContact O-N 2.92Å; V149-A213 HydrophobicContact CB-CB 4.49Å; V149-A213 HydrophobicContact CG2-CB 3.66Å; I210-A213 HydrophobicContact CG2-CB 4.2Å; A213-D217 WeakPolarHBondContact CA-OD2 3.43Å; A213-I241 HydrophobicContact CB-CD1 3.68Å; A213-I241 HydrophobicContact CB-CG1 4.45Å | ||
| 214 | M | 94.4 | Very high | 92.7 | Very high | 101 Ų | 101 | 33 Ų | 33 | 50% | 0.498 | 20% | 0.195 | S | C | . | . | trans | -121.1 | 162.1 | -179 | -65.6 | 175.3 | 52.5 | 0 | 0 | 111.2 | A216 D217 I241 | M214-A216 PolarHBondContact O-N 2.8Å; M214-A216 VanDerWaalsContact O-N 3.07Å; M214-D217 PolarHBondContact N-OD2 3.16Å; M214-D217 WeakPolarHBondContact O-CA 3.42Å; M214-D217 VanDerWaalsContact O-CB 3.31Å; M214-D217 WeakPolarHBondContact O-CB 3.49Å; M214-D217 PolarHBondContact O-N 3.33Å; M214-I241 WeakPolarHBondContact O-CD1 3.2Å | ||
| 215 | A | 93.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 50% | 0.504 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -51.2 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D217 S218 | A215-D217 PolarHBondContact O-N 3.33Å; A215-S218 VanDerWaalsContact O-CB 3.23Å; A215-S218 WeakPolarHBondContact O-CB 2.97Å; A215-S218 PolarHBondContact O-N 2.69Å; A215-S218 VanDerWaalsContact O-N 3.08Å; A215-S218 PolarHBondContact O-OG 3.04Å |
| 216 | A | 93.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 35 Ų | 35 | 66% | 0.661 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -66 | -19.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M214 S218 | M214-A216 PolarHBondContact O-N 2.8Å; M214-A216 VanDerWaalsContact O-N 3.07Å; A216-S218 PolarHBondContact O-N 2.63Å |
| 217 | D | 95.1 | Very high | 94 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -74.9 | -12.1 | 173.7 | -64.5 | -43.8 | 0 | 0 | 0 | 111.2 | K168 R194 I210 A213 M214 A215 Y221 I241 | K168-D217 PolarHBondContact NZ-O 2.62Å; R194-D217 IonicContact CZ-OD2 3.79Å; R194-D217 IonicContact NE-OD1 2.67Å; R194-D217 PolarHBondContact NE-OD1 3.04Å; R194-D217 VanDerWaalsContact NE-OD1 3.1Å; R194-D217 IonicContact NE-OD2 3.24Å; R194-D217 PolarHBondContact NE-OD2 2.67Å; R194-D217 IonicContact NH2-OD2 2.79Å; R194-D217 PolarHBondContact NH2-OD2 3.44Å; I210-D217 HydrophobicContact CG2-CB 4.21Å; A213-D217 WeakPolarHBondContact CA-OD2 3.43Å; M214-D217 PolarHBondContact N-OD2 3.16Å; M214-D217 WeakPolarHBondContact O-CA 3.42Å; M214-D217 VanDerWaalsContact O-CB 3.31Å; M214-D217 WeakPolarHBondContact O-CB 3.49Å; M214-D217 PolarHBondContact O-N 3.33Å; A215-D217 PolarHBondContact O-N 3.33Å; D217-Y221 VanDerWaalsContact O-CE2 3.3Å; D217-Y221 WeakPolarHBondContact O-CE2 3.06Å; D217-Y221 PolarHBondContact O-OH 3.02Å; D217-I241 HydrophobicContact CB-CD1 3.55Å |
| 218 | S | 95.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | trans | -57.9 | 154.7 | 174 | -55.7 | 0 | 0 | 0 | 0 | 112 | K168 A215 A216 L239 I241 | K168-S218 PolarHBondContact NZ-O 3.05Å; A215-S218 VanDerWaalsContact O-CB 3.23Å; A215-S218 WeakPolarHBondContact O-CB 2.97Å; A215-S218 PolarHBondContact O-N 2.69Å; A215-S218 VanDerWaalsContact O-N 3.08Å; A215-S218 PolarHBondContact O-OG 3.04Å; A216-S218 PolarHBondContact O-N 2.63Å; S218-L239 WeakPolarHBondContact CA-O 3.28Å; S218-L239 WeakPolarHBondContact CB-O 3.19Å; S218-I241 PolarHBondContact OG-N 3.48Å | ||
| 219 | G | 94.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | -163.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L239 | G219-L239 PolarHBondContact N-O 2.8Å; G219-L239 PolarHBondContact O-N 2.73Å |
| 220 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133 | -179.8 | -68.7 | 174.4 | 0 | 0 | 0 | 111.1 | E132 A135 V169 V236 R238 | E132-L220 HydrophobicContact CB-CD1 4.04Å; E132-L220 HydrophobicContact CG-CD1 3.92Å; A135-L220 HydrophobicContact CB-CD1 4.42Å; V169-L220 HydrophobicContact CB-CB 4.02Å; V169-L220 PolarHBondContact N-O 3.01Å; L220-V236 HydrophobicContact CD2-CG1 4.01Å; L220-R238 HydrophobicContact CD2-CB 3.82Å; L220-R238 HydrophobicContact CD2-CG 4.08Å |
| 221 | Y | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | 175.6 | -71.6 | -95 | 0 | 0 | 0 | 108.6 | L151 E167 K168 L177 I210 D217 V236 I237 L239 | L151-Y221 HydrophobicContact CD1-CD1 3.43Å; L151-Y221 VanDerWaalsContact CD1-CD1 3.43Å; L151-Y221 HydrophobicContact CD1-CD2 3.93Å; L151-Y221 HydrophobicContact CD1-CE1 4.01Å; L151-Y221 HydrophobicContact CD1-CE2 4.47Å; L151-Y221 HydrophobicContact CD1-CG 3.38Å; E167-Y221 CarbonylContact O-C 3.59Å; E167-Y221 WeakPolarHBondContact O-CA 3.48Å; K168-Y221 HydrophobicContact CB-CE1 4.28Å; K168-Y221 HydrophobicContact CD-CE1 4.44Å; K168-Y221 HydrophobicContact CG-CE1 4.23Å; K168-Y221 PolarHBondContact NZ-OH 2.96Å; K168-Y221 VanDerWaalsContact NZ-OH 3.07Å; L177-Y221 HydrophobicContact CD1-CD1 3.57Å; L177-Y221 HydrophobicContact CD1-CE1 3.58Å; I210-Y221 HydrophobicContact CD1-CE1 3.86Å; I210-Y221 HydrophobicContact CD1-CE2 4.33Å; D217-Y221 VanDerWaalsContact O-CE2 3.3Å; D217-Y221 WeakPolarHBondContact O-CE2 3.06Å; D217-Y221 PolarHBondContact O-OH 3.02Å; Y221-V236 CarbonylContact O-C 3.54Å; Y221-V236 WeakPolarHBondContact O-CA 3.35Å; Y221-I237 PolarHBondContact N-O 2.85Å; Y221-I237 PolarHBondContact O-N 3.3Å; Y221-L239 HydrophobicContact CD2-CB 3.88Å; Y221-L239 HydrophobicContact CD2-CD2 4.41Å; Y221-L239 HydrophobicContact CE2-CB 3.86Å; Y221-L239 HydrophobicContact CE2-CD2 3.79Å; Y221-L239 HydrophobicContact CE2-CG 4.46Å |
| 222 | R | 95.6 | Very high | 93 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.4 | -177.7 | 179.8 | 166.2 | 63.1 | -150 | -7.4 | 109.9 | E167 V169 R224 V236 | E167-R222 HydrophobicContact CB-CB 4.38Å; E167-R222 PolarHBondContact N-O 3.45Å; E167-R222 PolarHBondContact O-N 3.2Å; E167-R222 IonicContact OE2-CZ 3.18Å; E167-R222 IonicContact OE2-NE 2.76Å; E167-R222 PolarHBondContact OE2-NE 3.28Å; E167-R222 IonicContact OE2-NH2 2.73Å; E167-R222 PolarHBondContact OE2-NH2 3.27Å; V169-R222 HydrophobicContact CG2-CB 3.78Å; R222-R224 HydrophobicContact CG-CG 4.19Å; R222-R224 VanDerWaalsContact CZ-NH2 3.3Å; R222-V236 HydrophobicContact CB-CG2 4.18Å; R222-V236 HydrophobicContact CG-CG2 3.93Å |
| 223 | C | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.5 | 165.5 | 170.9 | 0 | 0 | 0 | 0 | 108.9 | C153 M165 W166 T234 F235 | C153-C223 HydrophobicContact CB-CB 3.69Å; C153-C223 WeakPolarHBondContact CB-SG 3.49Å; C153-C223 WeakPolarHBondContact SG-CB 3.44Å; C153-C223 CovalentContact SG-SG 2.03Å; C153-C223 PolarHBondContact SG-SG 2.93Å; M165-C223 CarbonylContact O-C 3.6Å; M165-C223 WeakPolarHBondContact O-CA 3.14Å; W166-C223 HydrophobicContact CD2-CB 4.14Å; W166-C223 HydrophobicContact CE3-CB 4.08Å; W166-C223 HydrophobicContact CH2-CB 3.93Å; W166-C223 HydrophobicContact CZ2-CB 3.98Å; W166-C223 HydrophobicContact CZ3-CB 3.97Å; C223-T234 VanDerWaalsContact O-CA 3.32Å; C223-T234 WeakPolarHBondContact O-CA 3.24Å; C223-F235 PolarHBondContact N-O 2.82Å; C223-F235 PolarHBondContact O-N 3.21Å |
| 224 | R | 92.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.3 | 168.9 | -61 | -176.4 | 169.9 | 165.5 | -13.7 | 107.9 | V164 M165 E167 R222 T234 | V164-R224 CarbonylContact C-O 3.55Å; V164-R224 WeakPolarHBondContact CA-O 3.48Å; M165-R224 PolarHBondContact N-O 2.97Å; M165-R224 PolarHBondContact O-N 3.15Å; E167-R224 IonicContact OE1-CZ 3.32Å; E167-R224 IonicContact OE1-NE 3.57Å; E167-R224 IonicContact OE1-NH1 2.71Å; E167-R224 PolarHBondContact OE1-NH1 2.91Å; E167-R224 IonicContact OE2-CZ 3.32Å; E167-R224 VanDerWaalsContact OE2-CZ 3.32Å; E167-R224 IonicContact OE2-NE 3.38Å; E167-R224 PolarHBondContact OE2-NE 2.87Å; E167-R224 IonicContact OE2-NH1 3.48Å; E167-R224 PolarHBondContact OE2-NH1 2.82Å; E167-R224 IonicContact OE2-NH2 3.84Å; R222-R224 HydrophobicContact CG-CG 4.19Å; R222-R224 VanDerWaalsContact CZ-NH2 3.3Å; R224-T234 HydrophobicContact CB-CG2 4.5Å; R224-T234 HydrophobicContact CG-CG2 4.02Å |
| 225 | S | 91.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.3 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | W159 Q163 K232 E233 | W159-S225 PolarHBondContact NE1-OG 3.01Å; Q163-S225 CarbonylContact O-C 3.47Å; Q163-S225 VanDerWaalsContact O-CA 3.28Å; Q163-S225 WeakPolarHBondContact O-CA 3.17Å; Q163-S225 PolarHBondContact O-OG 3.45Å; S225-K232 WeakPolarHBondContact O-CA 3.42Å; S225-E233 PolarHBondContact N-O 3.06Å; S225-E233 PolarHBondContact O-N 3.25Å |
| 226 | E | 91.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.4 | 169.4 | -171.9 | 164 | 171.8 | 0 | 0 | 108.3 | Q162 Q163 E231 K232 | Q162-E226 WeakPolarHBondContact CA-O 3.19Å; Q162-E226 WeakPolarHBondContact CB-O 3.49Å; Q162-E226 PolarHBondContact N-O 2.83Å; Q163-E226 HydrophobicContact CB-CB 4.31Å; Q163-E226 PolarHBondContact N-O 2.83Å; Q163-E226 PolarHBondContact O-N 2.77Å; E226-E231 WeakPolarHBondContact CA-O 3.27Å; E226-K232 HydrophobicContact CB-CG 4.43Å; E226-K232 HydrophobicContact CG-CG 4.17Å; E226-K232 WeakPolarHBondContact OE2-CE 3.35Å; E226-K232 IonicContact OE2-NZ 3.1Å |
| 227 | A | 90.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 160.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | W159 P160 T229 G230 E231 | W159-A227 HydrophobicContact CD2-CB 4.28Å; W159-A227 HydrophobicContact CH2-CB 3.89Å; W159-A227 HydrophobicContact CZ2-CB 3.54Å; W159-A227 HydrophobicContact CZ3-CB 4.4Å; P160-A227 HydrophobicContact CG-CB 3.97Å; P160-A227 CarbonylContact O-C 3.56Å; P160-A227 VanDerWaalsContact O-CA 3.24Å; P160-A227 WeakPolarHBondContact O-CA 3.36Å; A227-T229 WeakPolarHBondContact CB-OG1 3.25Å; A227-T229 PolarHBondContact O-N 3.1Å; A227-T229 VanDerWaalsContact O-N 3.17Å; A227-G230 PolarHBondContact O-N 3.39Å; A227-E231 HydrophobicContact CB-CB 4.24Å; A227-E231 PolarHBondContact N-O 3.09Å |
| 228 | S | 89.3 | Confident | 93 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.8 | 173.6 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | P160 G230 | P160-S228 PolarHBondContact O-N 3.05Å; S228-G230 VanDerWaalsContact C-N 3.27Å |
| 229 | T | 89.1 | Confident | 93 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.1 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | A227 E231 | A227-T229 WeakPolarHBondContact CB-OG1 3.25Å; A227-T229 PolarHBondContact O-N 3.1Å; A227-T229 VanDerWaalsContact O-N 3.17Å; T229-E231 VanDerWaalsContact C-N 3.34Å |
| 230 | G | 86.9 | Confident | 93.1 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 87.2 | -2.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A227 S228 | A227-G230 PolarHBondContact O-N 3.39Å; S228-G230 VanDerWaalsContact C-N 3.27Å |
| 231 | E | 90.8 | Very high | 93 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | trans | -64.7 | 146.5 | 171.6 | -64.8 | 179.2 | 172.1 | 0 | 0 | 110.3 | W159 E226 A227 T229 | W159-E231 HydrophobicContact CH2-CB 3.5Å; W159-E231 VanDerWaalsContact CH2-CB 3.5Å; W159-E231 HydrophobicContact CZ2-CB 4.4Å; W159-E231 WeakPolarHBondContact CZ2-O 3.37Å; W159-E231 HydrophobicContact CZ3-CB 4.05Å; E226-E231 WeakPolarHBondContact CA-O 3.27Å; A227-E231 HydrophobicContact CB-CB 4.24Å; A227-E231 PolarHBondContact N-O 3.09Å; T229-E231 VanDerWaalsContact C-N 3.34Å | ||
| 232 | K | 91.9 | Very high | 92.8 | Very high | 149 Ų | 149 | 51.4 Ų | 51.4 | 65% | 0.648 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135 | -176 | -66.9 | 178.3 | -179.5 | 178.2 | 0 | 110.2 | S225 E226 | S225-K232 WeakPolarHBondContact O-CA 3.42Å; E226-K232 HydrophobicContact CB-CG 4.43Å; E226-K232 HydrophobicContact CG-CG 4.17Å; E226-K232 WeakPolarHBondContact OE2-CE 3.35Å; E226-K232 IonicContact OE2-NZ 3.1Å |
| 233 | E | 91.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.2 | 175.9 | -82 | -69.8 | -178 | 0 | 0 | 110.2 | L155 W159 S225 | L155-E233 HydrophobicContact CD2-CB 3.98Å; W159-E233 HydrophobicContact CD2-CG 4.19Å; W159-E233 HydrophobicContact CE3-CG 3.93Å; W159-E233 HydrophobicContact CH2-CB 3.97Å; W159-E233 HydrophobicContact CH2-CG 3.28Å; W159-E233 HydrophobicContact CZ2-CB 3.72Å; W159-E233 HydrophobicContact CZ2-CG 3.56Å; W159-E233 HydrophobicContact CZ3-CG 3.48Å; W159-E233 VanDerWaalsContact CZ3-CG 3.48Å; S225-E233 PolarHBondContact N-O 3.06Å; S225-E233 PolarHBondContact O-N 3.25Å |
| 234 | T | 93 | Very high | 90.7 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.6 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | C223 R224 | C223-T234 VanDerWaalsContact O-CA 3.32Å; C223-T234 WeakPolarHBondContact O-CA 3.24Å; R224-T234 HydrophobicContact CB-CG2 4.5Å; R224-T234 HydrophobicContact CG-CG2 4.02Å |
| 235 | F | 93.4 | Very high | 89.1 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.7 | 178.5 | -169.8 | -103.7 | 0 | 0 | 0 | 110.5 | N138 Q154 C223 I237 | N138-F235 HydrophobicContact CB-CD2 3.68Å; N138-F235 HydrophobicContact CB-CE2 3.35Å; N138-F235 HydrophobicContact CB-CZ 3.97Å; Q154-F235 HydrophobicContact CB-CD1 4.14Å; Q154-F235 HydrophobicContact CB-CD2 3.99Å; Q154-F235 HydrophobicContact CB-CE1 3.88Å; Q154-F235 HydrophobicContact CB-CE2 3.74Å; Q154-F235 HydrophobicContact CB-CG 4.19Å; Q154-F235 HydrophobicContact CB-CZ 3.69Å; Q154-F235 HydrophobicContact CG-CD1 4.2Å; Q154-F235 HydrophobicContact CG-CE1 3.53Å; Q154-F235 HydrophobicContact CG-CE2 4.08Å; Q154-F235 HydrophobicContact CG-CZ 3.49Å; Q154-F235 VanDerWaalsContact CG-CZ 3.49Å; C223-F235 PolarHBondContact N-O 2.82Å; C223-F235 PolarHBondContact O-N 3.21Å; F235-I237 HydrophobicContact CD1-CD1 4.14Å; F235-I237 HydrophobicContact CD1-CG1 3.73Å; F235-I237 HydrophobicContact CE1-CD1 3.96Å; F235-I237 HydrophobicContact CE1-CG1 3.44Å; F235-I237 VanDerWaalsContact CE1-CG1 3.44Å |
| 236 | V | 95.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.4 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | A135 N138 G139 L220 Y221 R222 | A135-V236 HydrophobicContact CB-CG1 4.41Å; A135-V236 HydrophobicContact CB-CG2 4.48Å; N138-V236 PolarHBondContact N-O 2.84Å; N138-V236 PolarHBondContact OD1-N 3.17Å; G139-V236 PolarHBondContact N-O 2.9Å; L220-V236 HydrophobicContact CD2-CG1 4.01Å; Y221-V236 CarbonylContact O-C 3.54Å; Y221-V236 WeakPolarHBondContact O-CA 3.35Å; R222-V236 HydrophobicContact CB-CG2 4.18Å; R222-V236 HydrophobicContact CG-CG2 3.93Å |
| 237 | I | 95.6 | Very high | 85.3 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.046 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.2 | 178 | -58.3 | 167.8 | 0 | 0 | 0 | 108.7 | Q141 L151 W166 Y221 F235 | Q141-I237 HydrophobicContact CB-CG2 3.98Å; L151-I237 HydrophobicContact CB-CD1 4.22Å; L151-I237 HydrophobicContact CD2-CG2 4.49Å; W166-I237 HydrophobicContact CH2-CD1 3.91Å; W166-I237 HydrophobicContact CZ3-CD1 4.28Å; Y221-I237 PolarHBondContact N-O 2.85Å; Y221-I237 PolarHBondContact O-N 3.3Å; F235-I237 HydrophobicContact CD1-CD1 4.14Å; F235-I237 HydrophobicContact CD1-CG1 3.73Å; F235-I237 HydrophobicContact CE1-CD1 3.96Å; F235-I237 HydrophobicContact CE1-CG1 3.44Å; F235-I237 VanDerWaalsContact CE1-CG1 3.44Å |
| 238 | R | 96.1 | Very high | 83.4 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 109.5 | 165.3 | -171.4 | 174.2 | -70.9 | -87.6 | 2 | 109.4 | G139 Y140 Q141 L220 V240 | G139-R238 PolarHBondContact O-N 2.88Å; Y140-R238 WeakPolarHBondContact CA-O 3.46Å; Y140-R238 HydrophobicContact CD1-CB 4.13Å; Y140-R238 HydrophobicContact CD1-CG 4.31Å; Y140-R238 HydrophobicContact CE1-CB 4.32Å; Y140-R238 VanDerWaalsContact CE1-CD 3.49Å; Y140-R238 HydrophobicContact CE1-CG 4.28Å; Q141-R238 PolarHBondContact N-O 2.58Å; L220-R238 HydrophobicContact CD2-CB 3.82Å; L220-R238 HydrophobicContact CD2-CG 4.08Å; R238-V240 HydrophobicContact CG-CG2 4.47Å |
| 239 | L | 96.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.6 | 175.7 | 179.3 | 62.1 | 0 | 0 | 0 | 110 | Q141 A143 V149 L151 I210 S218 G219 Y221 I241 | Q141-L239 HydrophobicContact CB-CD1 4.29Å; Q141-L239 HydrophobicContact CG-CD1 4.44Å; Q141-L239 WeakPolarHBondContact O-CA 3.37Å; A143-L239 HydrophobicContact CB-CD1 4.49Å; V149-L239 HydrophobicContact CG1-CD1 3.86Å; V149-L239 HydrophobicContact CG1-CD2 4.32Å; L151-L239 HydrophobicContact CD2-CD1 4.45Å; L151-L239 HydrophobicContact CD2-CD2 4.42Å; I210-L239 HydrophobicContact CD1-CD2 3.63Å; S218-L239 WeakPolarHBondContact CA-O 3.28Å; S218-L239 WeakPolarHBondContact CB-O 3.19Å; G219-L239 PolarHBondContact N-O 2.8Å; G219-L239 PolarHBondContact O-N 2.73Å; Y221-L239 HydrophobicContact CD2-CB 3.88Å; Y221-L239 HydrophobicContact CD2-CD2 4.41Å; Y221-L239 HydrophobicContact CE2-CB 3.86Å; Y221-L239 HydrophobicContact CE2-CD2 3.79Å; Y221-L239 HydrophobicContact CE2-CG 4.46Å; L239-I241 HydrophobicContact CD1-CG1 4.33Å; L239-I241 HydrophobicContact CD2-CD1 3.93Å; L239-I241 HydrophobicContact CD2-CG1 4.32Å; L239-I241 HydrophobicContact CG-CD1 4.25Å; L239-I241 HydrophobicContact CG-CG1 4.12Å |
| 240 | V | 95.6 | Very high | 80 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.5 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | Q141 Y142 A143 R238 | Q141-V240 PolarHBondContact O-N 2.03Å; Y142-V240 WeakPolarHBondContact CA-O 3.33Å; Y142-V240 HydrophobicContact CD1-CB 3.75Å; Y142-V240 HydrophobicContact CD1-CG1 4.04Å; Y142-V240 HydrophobicContact CD1-CG2 4.4Å; Y142-V240 HydrophobicContact CE1-CB 3.91Å; Y142-V240 HydrophobicContact CE1-CG1 4.14Å; Y142-V240 HydrophobicContact CE1-CG2 4.1Å; A143-V240 PolarHBondContact N-O 2.85Å; R238-V240 HydrophobicContact CG-CG2 4.47Å |
| 241 | I | 94.9 | Very high | 78.6 | Confident | 11 Ų | 11 | 87.8 Ų | 87.8 | 6% | 0.056 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.7 | 177.4 | -64.7 | 160.8 | 0 | 0 | 0 | 109.2 | A143 A213 M214 D217 S218 L239 | A143-I241 HydrophobicContact CB-CG1 4.32Å; A143-I241 CarbonylContact O-C 3.6Å; A143-I241 VanDerWaalsContact O-CA 3.28Å; A143-I241 WeakPolarHBondContact O-CA 3.41Å; A213-I241 HydrophobicContact CB-CD1 3.68Å; A213-I241 HydrophobicContact CB-CG1 4.45Å; M214-I241 WeakPolarHBondContact O-CD1 3.2Å; D217-I241 HydrophobicContact CB-CD1 3.55Å; S218-I241 PolarHBondContact OG-N 3.48Å; L239-I241 HydrophobicContact CD1-CG1 4.33Å; L239-I241 HydrophobicContact CD2-CD1 3.93Å; L239-I241 HydrophobicContact CD2-CG1 4.32Å; L239-I241 HydrophobicContact CG-CD1 4.25Å; L239-I241 HydrophobicContact CG-CG1 4.12Å |
| 242 | T | 92 | Very high | 76.8 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.2 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | A143 E144 T145 G244 | A143-T242 PolarHBondContact O-N 3.43Å; A143-T242 PolarHBondContact O-OG1 3.1Å; E144-T242 WeakPolarHBondContact CA-O 3.26Å; T145-T242 PolarHBondContact N-O 2.9Å; T242-G244 PolarHBondContact O-N 3.01Å; T242-G244 VanDerWaalsContact O-N 3.1Å |
| 243 | D | 82.3 | Confident | 74.8 | Confident | 119 Ų | 119 | 86 Ų | 86 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | trans | -69.4 | 107.6 | 169.7 | -167.9 | 0.2 | 0 | 0 | 0 | 108.6 | G245 | D243-G245 PolarHBondContact O-N 3.06Å; D243-G245 PolarHBondContact OD1-N 3.47Å | ||
| 244 | G | 63 | Low | 73.2 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | trans | -64.8 | 3.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T242 T246 | T242-G244 PolarHBondContact O-N 3.01Å; T242-G244 VanDerWaalsContact O-N 3.1Å; G244-T246 PolarHBondContact O-N 2.95Å | ||
| 245 | G | 58.4 | Low | 71.4 | Confident | 56 Ų | 56 | 90 Ų | 90 | 58% | 0.577 | 48% | 0.481 | S | S | * | . | trans | -84.3 | 41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D243 N247 | D243-G245 PolarHBondContact O-N 3.06Å; D243-G245 PolarHBondContact OD1-N 3.47Å; G245-N247 PolarHBondContact O-N 2.92Å | ||
| 246 | T | 50.7 | Low | 69.7 | Low | 123 Ų | 123 | 90.1 Ų | 90.1 | 76% | 0.755 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -79.9 | 95.7 | 151.5 | 54.7 | 0 | 0 | 0 | 0 | 107.8 | G244 K248 | G244-T246 PolarHBondContact O-N 2.95Å; T246-K248 PolarHBondContact O-N 3.47Å |
| 247 | N | 53 | Low | 67.9 | Low | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | trans | 16.2 | 74 | 157.1 | -103 | -15.3 | 0 | 0 | 0 | 115.2 | G245 Y249 F250 | G245-N247 PolarHBondContact O-N 2.92Å; N247-Y249 PolarHBondContact O-N 3.36Å; N247-F250 HydrophobicContact CB-CB 4.38Å; N247-F250 PolarHBondContact O-N 2.87Å | ||
| 248 | K | 51.6 | Low | 66.2 | Low | 176 Ų | 176 | 94.8 Ų | 94.8 | 77% | 0.765 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.4 | 169 | -74.5 | -177.8 | 179.4 | 172.1 | 0 | 112.4 | T246 | T246-K248 PolarHBondContact O-N 3.47Š|
| 249 | Y | 54.3 | Low | 64.9 | Low | 222 Ų | 222 | 95 Ų | 95 | 87% | 0.871 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.4 | 172.3 | -76.1 | -76.9 | 0 | 0 | 0 | 115.2 | N247 | N247-Y249 PolarHBondContact O-N 3.36Š|
| 250 | F | 52.8 | Low | 63.7 | Low | 177 Ų | 177 | 98.4 Ų | 98.4 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -104.9 | 2.3 | -179.5 | -107.9 | -87 | 0 | 0 | 0 | 115.2 | N247 | N247-F250 HydrophobicContact CB-CB 4.38Å; N247-F250 PolarHBondContact O-N 2.87Å |
| 251 | I | 58.2 | Low | 62.8 | Low | 144 Ų | 144 | 101.5 Ų | 101.5 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -120.7 | 72.4 | 176 | -52.5 | -173.8 | 0 | 0 | 0 | 110.2 | ||
| 252 | L | 51.6 | Low | 62.1 | Low | 150 Ų | 150 | 105 Ų | 105 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 142.2 | 141.1 | 137.9 | -103.7 | 79.3 | 0 | 0 | 0 | 112.7 | ||
| 253 | P | 51.4 | Low | 61.7 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | cis | -129.8 | 138.1 | 10.4 | 38.5 | -20.5 | 0 | 0 | 0 | 115.2 | A255 G256 | P253-A255 HydrophobicContact CB-CB 3.93Å; P253-A255 PolarHBondContact O-N 2.88Å; P253-G256 PolarHBondContact O-N 3.45Å | ||
| 254 | I | 56.9 | Low | 61.8 | Low | 178 Ų | 178 | 105.7 Ų | 105.7 | 91% | 0.913 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 12.4 | 155.3 | -65.6 | 168.5 | 0 | 0 | 0 | 111.3 | ||
| 255 | A | 56.3 | Low | 63 | Low | 64 Ų | 64 | 108.5 Ų | 108.5 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.2 | -0.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P253 | P253-A255 HydrophobicContact CB-CB 3.93Å; P253-A255 PolarHBondContact O-N 2.88Å |
| 256 | G | 56 | Low | 64.5 | Low | 39 Ų | 39 | 110.2 Ų | 110.2 | 40% | 0.402 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -92.3 | -25.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P253 S260 | P253-G256 PolarHBondContact O-N 3.45Å; G256-S260 PolarHBondContact O-N 3.47Å; G256-S260 PolarHBondContact O-OG 3.37Å |
| 257 | G | 58 | Low | 66.3 | Low | 45 Ų | 45 | 108.4 Ų | 108.4 | 46% | 0.464 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.3 | -34.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L261 | G257-L261 WeakPolarHBondContact O-CB 3.26Å; G257-L261 PolarHBondContact O-N 3.28Å |
| 258 | S | 61.1 | Low | 68.1 | Low | 66 Ų | 66 | 107.7 Ų | 107.7 | 46% | 0.462 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.4 | -41.6 | 178.9 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | L261 V262 | S258-L261 PolarHBondContact O-N 2.98Å; S258-V262 WeakPolarHBondContact O-CB 3.46Å; S258-V262 VanDerWaalsContact O-CG2 3.23Å; S258-V262 WeakPolarHBondContact O-CG2 2.89Å; S258-V262 PolarHBondContact O-N 2.87Å |
| 259 | V | 67.9 | Low | 69.9 | Low | 87 Ų | 87 | 103.9 Ų | 103.9 | 53% | 0.527 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.5 | -39.6 | 177 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | V262 L263 | V259-V262 PolarHBondContact O-N 3.25Å; V259-L263 HydrophobicContact CG1-CD1 4.16Å; V259-L263 WeakPolarHBondContact O-CB 3.43Å; V259-L263 PolarHBondContact O-N 2.9Å |
| 260 | S | 71.6 | Confident | 71.6 | Confident | 72 Ų | 72 | 98.7 Ų | 98.7 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 174.7 | -74.6 | 0 | 0 | 0 | 0 | 112.7 | G256 L263 L264 | G256-S260 PolarHBondContact O-N 3.47Å; G256-S260 PolarHBondContact O-OG 3.37Å; S260-L263 PolarHBondContact O-N 3.28Å; S260-L264 WeakPolarHBondContact O-CG 3.38Å; S260-L264 PolarHBondContact O-N 3.48Å |
| 261 | L | 76.6 | Confident | 73.3 | Confident | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 176.3 | -115.7 | 134.1 | 0 | 0 | 0 | 112.1 | G257 S258 L264 I265 | G257-L261 WeakPolarHBondContact O-CB 3.26Å; G257-L261 PolarHBondContact O-N 3.28Å; S258-L261 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 3.41Å; L261-I265 HydrophobicContact CD2-CD1 4.27Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.47Å; L261-I265 PolarHBondContact O-N 2.92Å |
| 262 | V | 81.4 | Confident | 74.8 | Confident | 86 Ų | 86 | 91.5 Ų | 91.5 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | S258 V259 I265 L266 | S258-V262 WeakPolarHBondContact O-CB 3.46Å; S258-V262 VanDerWaalsContact O-CG2 3.23Å; S258-V262 WeakPolarHBondContact O-CG2 2.89Å; S258-V262 PolarHBondContact O-N 2.87Å; V259-V262 PolarHBondContact O-N 3.25Å; V262-I265 PolarHBondContact O-N 2.82Å; V262-L266 HydrophobicContact CG1-CD1 4.2Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.39Å |
| 263 | L | 82.7 | Confident | 76.4 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 173.9 | -97.2 | 152.8 | 0 | 0 | 0 | 112.3 | V259 S260 I265 L266 I267 | V259-L263 HydrophobicContact CG1-CD1 4.16Å; V259-L263 WeakPolarHBondContact O-CB 3.43Å; V259-L263 PolarHBondContact O-N 2.9Å; S260-L263 PolarHBondContact O-N 3.28Å; L263-I265 PolarHBondContact O-N 3.34Å; L263-L266 PolarHBondContact O-N 2.86Å; L263-I267 WeakPolarHBondContact O-CD1 3.42Å; L263-I267 VanDerWaalsContact O-CG1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.21Å; L263-I267 PolarHBondContact O-N 2.78Å |
| 264 | L | 85.1 | Confident | 78.1 | Confident | 106 Ų | 106 | 94.2 Ų | 94.2 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 176 | -73.9 | 171.9 | 0 | 0 | 0 | 112 | S260 L261 I267 I268 | S260-L264 WeakPolarHBondContact O-CG 3.38Å; S260-L264 PolarHBondContact O-N 3.48Å; L261-L264 PolarHBondContact O-N 3.41Å; L264-I267 PolarHBondContact O-N 2.91Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.79Å |
| 265 | I | 87.7 | Confident | 79.2 | Confident | 89 Ų | 89 | 89.3 Ų | 89.3 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176 | -68.8 | 165.8 | 0 | 0 | 0 | 110.9 | L261 V262 L263 I267 I268 I269 | L261-I265 HydrophobicContact CD2-CD1 4.27Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.47Å; L261-I265 PolarHBondContact O-N 2.92Å; V262-I265 PolarHBondContact O-N 2.82Å; L263-I265 PolarHBondContact O-N 3.34Å; I265-I267 PolarHBondContact O-N 2.84Å; I265-I268 PolarHBondContact O-N 3.05Å; I265-I269 HydrophobicContact CG2-CD1 3.92Å; I265-I269 HydrophobicContact CG2-CG1 4.47Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 PolarHBondContact O-N 2.83Å |
| 266 | L | 89 | Confident | 80.3 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | -75.1 | 170.3 | 0 | 0 | 0 | 112.1 | V262 L263 I269 I270 | V262-L266 HydrophobicContact CG1-CD1 4.2Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.39Å; L263-L266 PolarHBondContact O-N 2.86Å; L266-I269 PolarHBondContact O-N 2.85Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.38Å; L266-I270 PolarHBondContact O-N 2.82Å |
| 267 | I | 89.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.4 | -66.5 | 162.6 | 0 | 0 | 0 | 110.6 | L263 L264 I265 I269 I270 I271 | L263-I267 WeakPolarHBondContact O-CD1 3.42Å; L263-I267 VanDerWaalsContact O-CG1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.21Å; L263-I267 PolarHBondContact O-N 2.78Å; L264-I267 PolarHBondContact O-N 2.91Å; I265-I267 PolarHBondContact O-N 2.84Å; I267-I269 VanDerWaalsContact C-N 3.34Å; I267-I269 PolarHBondContact O-N 2.88Å; I267-I270 PolarHBondContact O-N 2.56Å; I267-I271 HydrophobicContact CG2-CD1 3.84Å; I267-I271 HydrophobicContact CG2-CG1 4.44Å; I267-I271 VanDerWaalsContact O-CG1 3.3Å; I267-I271 WeakPolarHBondContact O-CG1 3.19Å; I267-I271 PolarHBondContact O-N 2.67Å |
| 268 | I | 89.8 | Confident | 81.8 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.2 | -67.9 | 165.5 | 0 | 0 | 0 | 110.9 | L264 I265 I270 I271 I272 | L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.79Å; I265-I268 PolarHBondContact O-N 3.05Å; I268-I270 PolarHBondContact O-N 3.26Å; I268-I271 PolarHBondContact O-N 2.95Å; I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 HydrophobicContact CG2-CG1 4.44Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.27Å; I268-I272 PolarHBondContact O-N 2.95Å |
| 269 | I | 90.2 | Very high | 81.9 | Confident | 96 Ų | 96 | 110.9 Ų | 110.9 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.2 | -68.5 | 168.5 | 0 | 0 | 0 | 110.9 | I265 L266 I267 I271 I272 F273 | I265-I269 HydrophobicContact CG2-CD1 3.92Å; I265-I269 HydrophobicContact CG2-CG1 4.47Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 PolarHBondContact O-N 2.83Å; L266-I269 PolarHBondContact O-N 2.85Å; I267-I269 VanDerWaalsContact C-N 3.34Å; I267-I269 PolarHBondContact O-N 2.88Å; I269-I271 PolarHBondContact O-N 3.32Å; I269-I272 PolarHBondContact O-N 3.38Å; I269-F273 WeakPolarHBondContact O-CB 3.45Å; I269-F273 PolarHBondContact O-N 3.44Å |
| 270 | I | 90.2 | Very high | 81.5 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 176.9 | -69 | 165.9 | 0 | 0 | 0 | 110.6 | L266 I267 I268 F273 Y274 | L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.38Å; L266-I270 PolarHBondContact O-N 2.82Å; I267-I270 PolarHBondContact O-N 2.56Å; I268-I270 PolarHBondContact O-N 3.26Å; I270-F273 PolarHBondContact O-N 3.2Å; I270-Y274 WeakPolarHBondContact O-CB 3.46Å; I270-Y274 PolarHBondContact O-N 2.87Å |
| 271 | I | 88.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 118.1 Ų | 118.1 | 45% | 0.451 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.2 | -68.8 | 167.3 | 0 | 0 | 0 | 110.8 | I267 I268 I269 F273 Y274 N275 | I267-I271 HydrophobicContact CG2-CD1 3.84Å; I267-I271 HydrophobicContact CG2-CG1 4.44Å; I267-I271 VanDerWaalsContact O-CG1 3.3Å; I267-I271 WeakPolarHBondContact O-CG1 3.19Å; I267-I271 PolarHBondContact O-N 2.67Å; I268-I271 PolarHBondContact O-N 2.95Å; I269-I271 PolarHBondContact O-N 3.32Å; I271-F273 VanDerWaalsContact C-N 3.32Å; I271-F273 PolarHBondContact O-N 3.43Å; I271-Y274 PolarHBondContact O-N 2.88Å; I271-N275 WeakPolarHBondContact CG2-ND2 3.2Å; I271-N275 WeakPolarHBondContact O-CB 3.45Å; I271-N275 PolarHBondContact O-N 2.68Å; I271-N275 PolarHBondContact O-ND2 2.8Å |
| 272 | I | 88.5 | Confident | 80 | Confident | 83 Ų | 83 | 118.6 Ų | 118.6 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.4 | -68.9 | 168.3 | 0 | 0 | 0 | 110.3 | I268 I269 N275 R276 | I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 HydrophobicContact CG2-CG1 4.44Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.27Å; I268-I272 PolarHBondContact O-N 2.95Å; I269-I272 PolarHBondContact O-N 3.38Å; I272-N275 PolarHBondContact O-N 3.48Å; I272-R276 HydrophobicContact CG2-CG 4.33Å; I272-R276 VanDerWaalsContact O-CB 3.24Å; I272-R276 WeakPolarHBondContact O-CB 3.35Å; I272-R276 WeakPolarHBondContact O-CG 3.26Å; I272-R276 PolarHBondContact O-N 3.25Å |
| 273 | F | 86.4 | Confident | 78.8 | Confident | 129 Ų | 129 | 124.9 Ų | 124.9 | 57% | 0.566 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -40 | 178.8 | -163.6 | -94.1 | 0 | 0 | 0 | 111.8 | I269 I270 I271 R276 R277 | I269-F273 WeakPolarHBondContact O-CB 3.45Å; I269-F273 PolarHBondContact O-N 3.44Å; I270-F273 PolarHBondContact O-N 3.2Å; I271-F273 VanDerWaalsContact C-N 3.32Å; I271-F273 PolarHBondContact O-N 3.43Å; F273-R276 PolarHBondContact O-N 2.86Å; F273-R277 WeakPolarHBondContact O-CB 3.26Å; F273-R277 PolarHBondContact O-N 3.3Å |
| 274 | Y | 85.9 | Confident | 76.9 | Confident | 160 Ų | 160 | 125.9 Ų | 125.9 | 63% | 0.627 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -45.3 | 175.7 | -166.4 | -93.7 | 0 | 0 | 0 | 111.2 | I270 I271 R277 R278 | I270-Y274 WeakPolarHBondContact O-CB 3.46Å; I270-Y274 PolarHBondContact O-N 2.87Å; I271-Y274 PolarHBondContact O-N 2.88Å; Y274-R277 PolarHBondContact O-N 3.47Å; Y274-R278 VanDerWaalsContact O-CB 3.31Å; Y274-R278 WeakPolarHBondContact O-CB 3.23Å; Y274-R278 PolarHBondContact O-N 2.88Å |
| 275 | N | 81.4 | Confident | 75.1 | Confident | 76 Ų | 76 | 126.4 Ų | 126.4 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -38.2 | 175.4 | -75.2 | -36.4 | 0 | 0 | 0 | 112.2 | I271 I272 R279 | I271-N275 WeakPolarHBondContact CG2-ND2 3.2Å; I271-N275 WeakPolarHBondContact O-CB 3.45Å; I271-N275 PolarHBondContact O-N 2.68Å; I271-N275 PolarHBondContact O-ND2 2.8Å; I272-N275 PolarHBondContact O-N 3.48Å; N275-R279 WeakPolarHBondContact O-CB 3.39Å; N275-R279 WeakPolarHBondContact O-CG 3.27Å; N275-R279 PolarHBondContact O-N 2.91Å |
| 276 | R | 78.8 | Confident | 72.6 | Confident | 155 Ų | 155 | 129.6 Ų | 129.6 | 59% | 0.585 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -41.2 | 172.2 | -81 | -177 | 165.5 | 179.6 | -3.1 | 111.5 | I272 F273 R279 R280 | I272-R276 HydrophobicContact CG2-CG 4.33Å; I272-R276 VanDerWaalsContact O-CB 3.24Å; I272-R276 WeakPolarHBondContact O-CB 3.35Å; I272-R276 WeakPolarHBondContact O-CG 3.26Å; I272-R276 PolarHBondContact O-N 3.25Å; F273-R276 PolarHBondContact O-N 2.86Å; R276-R279 PolarHBondContact O-N 3.18Å; R276-R280 WeakPolarHBondContact O-CB 3.05Å; R276-R280 VanDerWaalsContact O-CG 3.24Å; R276-R280 WeakPolarHBondContact O-CG 3.31Å; R276-R280 PolarHBondContact O-N 3.41Å |
| 277 | R | 74.2 | Confident | 69.8 | Low | 153 Ų | 153 | 133.6 Ų | 133.6 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 177.2 | -170.2 | 177.3 | -177.1 | -179.6 | 0.9 | 111.2 | F273 Y274 R280 Q281 | F273-R277 WeakPolarHBondContact O-CB 3.26Å; F273-R277 PolarHBondContact O-N 3.3Å; Y274-R277 PolarHBondContact O-N 3.47Å; R277-R280 CarbonylContact O-C 3.59Å; R277-R280 PolarHBondContact O-N 2.86Å; R277-Q281 PolarHBondContact O-N 2.97Å |
| 278 | R | 70.9 | Confident | 67.1 | Low | 163 Ų | 163 | 137.1 Ų | 137.1 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.5 | -45.2 | 172.2 | -169.7 | 178 | 179 | -166.2 | 0.4 | 111.2 | Y274 R280 Q281 V282 | Y274-R278 VanDerWaalsContact O-CB 3.31Å; Y274-R278 WeakPolarHBondContact O-CB 3.23Å; Y274-R278 PolarHBondContact O-N 2.88Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 3.38Å; R278-Q281 PolarHBondContact O-N 2.78Å; R278-V282 WeakPolarHBondContact O-CG2 3.14Å; R278-V282 PolarHBondContact O-N 2.85Å; R278-V282 VanDerWaalsContact O-N 3.08Å |
| 279 | R | 63.1 | Low | 64.3 | Low | 196 Ų | 196 | 139.8 Ų | 139.8 | 74% | 0.74 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.7 | -33.7 | 172.8 | -75.3 | -173 | -165.2 | -162.1 | 5.5 | 112.8 | N275 R276 V282 R283 | N275-R279 WeakPolarHBondContact O-CB 3.39Å; N275-R279 WeakPolarHBondContact O-CG 3.27Å; N275-R279 PolarHBondContact O-N 2.91Å; R276-R279 PolarHBondContact O-N 3.18Å; R279-V282 PolarHBondContact O-N 3.12Å; R279-R283 PolarHBondContact O-N 2.77Å |
| 280 | R | 59.4 | Low | 61.3 | Low | 167 Ų | 167 | 144.4 Ų | 144.4 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.5 | -37.6 | 174.7 | -75.1 | 174.1 | -176 | -172.1 | 0.5 | 112.2 | R276 R277 R278 V282 R283 T284 | R276-R280 WeakPolarHBondContact O-CB 3.05Å; R276-R280 VanDerWaalsContact O-CG 3.24Å; R276-R280 WeakPolarHBondContact O-CG 3.31Å; R276-R280 PolarHBondContact O-N 3.41Å; R277-R280 CarbonylContact O-C 3.59Å; R277-R280 PolarHBondContact O-N 2.86Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 3.38Å; R280-V282 VanDerWaalsContact C-N 3.29Å; R280-V282 PolarHBondContact O-N 2.9Å; R280-R283 PolarHBondContact O-N 3.27Å; R280-T284 PolarHBondContact O-OG1 3.1Å; R280-T284 VanDerWaalsContact O-OG1 3.11Å |
| 281 | Q | 57.7 | Low | 58.4 | Low | 143 Ų | 143 | 146.4 Ų | 146.4 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -28.5 | 173.2 | -77.9 | -176.8 | -10.1 | 0 | 0 | 112.9 | R277 R278 R283 | R277-Q281 PolarHBondContact O-N 2.97Å; R278-Q281 PolarHBondContact O-N 2.78Å; Q281-R283 VanDerWaalsContact C-N 3.35Å |
| 282 | V | 59.1 | Low | 55.5 | Low | 119 Ų | 119 | 152 Ų | 152 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -9.3 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | R278 R279 R280 | R278-V282 WeakPolarHBondContact O-CG2 3.14Å; R278-V282 PolarHBondContact O-N 2.85Å; R278-V282 VanDerWaalsContact O-N 3.08Å; R279-V282 PolarHBondContact O-N 3.12Å; R280-V282 VanDerWaalsContact C-N 3.29Å; R280-V282 PolarHBondContact O-N 2.9Å |
| 283 | R | 57.6 | Low | 53.4 | Low | 218 Ų | 218 | 153.4 Ų | 153.4 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 27.4 | -175.3 | -85.1 | -172.3 | 177.4 | 178 | -1 | 115.8 | R279 R280 Q281 | R279-R283 PolarHBondContact O-N 2.77Å; R280-R283 PolarHBondContact O-N 3.27Å; Q281-R283 VanDerWaalsContact C-N 3.35Å |
| 284 | T | 41.9 | Very low | 50.6 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | trans | -131.8 | 99.7 | 169.3 | -9 | 0 | 0 | 0 | 0 | 112.1 | R280 | R280-T284 PolarHBondContact O-OG1 3.1Å; R280-T284 VanDerWaalsContact O-OG1 3.11Å | ||
| 285 | P | 47.8 | Very low | 48 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -84.7 | 126.8 | 151.9 | 8.2 | 11 | 0 | 0 | 0 | 109.9 | ||||
| 286 | L | 34.2 | Very low | 45.5 | Very low | 157 Ų | 157 | 157 Ų | 157 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 35.6 | 111.7 | 149.7 | -158.3 | 72.6 | 0 | 0 | 0 | 121 | ||
| 287 | K | 31.6 | Very low | 43.2 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 46.6 | 143.2 | 151.1 | -75.9 | -176.2 | 170.6 | -168.7 | 0 | 118.9 | ||||
| 288 | E | 31.1 | Very low | 41.3 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | cis | -170.1 | 154.2 | 30.7 | -135.7 | 167.6 | -150.8 | 0 | 0 | 110.8 | ||||
| 289 | L | 32 | Very low | 39.4 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 41.1 | 120.1 | 149.5 | -142.8 | 73.7 | 0 | 0 | 0 | 123 | ||||
| 290 | R | 27.1 | Very low | 37.7 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | 142 | 125.3 | 108 | -154.9 | 164.8 | -167.3 | -163.5 | -3.4 | 116.2 | |||||
| 291 | E | 29.2 | Very low | 36.2 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 66.9 | 150.8 | 146.4 | -73.6 | 166.4 | -163.7 | 0 | 0 | 125.3 | ||||
| 292 | K | 28.2 | Very low | 34.8 | Very low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -83.9 | 171.5 | -158.8 | -116.3 | -172.9 | 169.5 | 172.9 | 0 | 113.9 | ||||
| 293 | P | 44.3 | Very low | 34.1 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -95.9 | 165.5 | -164 | 40 | -35.8 | 0 | 0 | 0 | 114.1 | ||||
| 294 | S | 28 | Very low | 32.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -158 | 119.9 | 155.3 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 295 | K | 30.8 | Very low | 32.1 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | 66.6 | 142.4 | 93.4 | -87.8 | -170.5 | 176.4 | -178.9 | 0 | 114.7 | |||||
| 296 | V | 28.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 106.3 | 107.4 | 150.5 | -165.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 297 | A | 31.3 | Very low | 31.6 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | 11.2 | 143.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 298 | T | 32.6 | Very low | 31.6 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -173.9 | 116.3 | 129.6 | 12.4 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 299 | N | 31.3 | Very low | 31.4 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 78.9 | 109.3 | 95.6 | -84.3 | -6.9 | 0 | 0 | 0 | 115.9 | |||||
| 300 | C | 27.7 | Very low | 31.4 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | 62.6 | 147.5 | 124.7 | -65.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 301 | R | 27.8 | Very low | 31.8 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 96.6 | 97.9 | 155.5 | -137.1 | 169.1 | -144 | 169.8 | 2.8 | 113.7 | ||||
| 302 | S | 29.2 | Very low | 32 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | 60.5 | 152.1 | 82.1 | -54 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 303 | P | 43.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | cis | -139.9 | -173.4 | -7.6 | 28.7 | -3.5 | 0 | 0 | 0 | 114.8 | ||||
| 304 | T | 29.5 | Very low | 32.2 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 89.7 | 122.1 | 145.5 | -6.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 305 | S | 28 | Very low | 32.8 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -71.8 | -170.4 | 158.8 | -152.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 306 | P | 43.3 | Very low | 33.2 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -127.8 | -176.6 | -22.7 | 17 | 8.3 | 0 | 0 | 0 | 111.7 | ||||
| 307 | I | 29.3 | Very low | 34.1 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 147.5 | 129 | 132 | -78.3 | 164.7 | 0 | 0 | 0 | 114.3 | ||||
| 308 | H | 30.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 57.8 | 123.7 | 153.4 | -90 | -106.9 | 0 | 0 | 0 | 120.2 | ||||
| 309 | S | 28 | Very low | 35 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 52% | 0.524 | 77% | 0.771 | S | S | . | * | 93.5 | 136.1 | 66.1 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 310 | I | 30.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 76.6 | 136.7 | 164.1 | -51 | 163.1 | 0 | 0 | 0 | 111.6 | ||||
| 311 | D | 35.2 | Very low | 36 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | cis | -151.2 | 159.1 | 20.6 | -134.9 | -25.1 | 0 | 0 | 0 | 110.3 | ||||
| 312 | D | 33.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -99.1 | 102.8 | 175.3 | -163.8 | 15.7 | 0 | 0 | 0 | 107.2 | ||||
| 313 | E | 40.4 | Very low | 37.9 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -97.2 | 100.7 | 178 | -123.5 | 179 | -176.5 | 0 | 0 | 109.6 | ||||
| 314 | K | 36.5 | Very low | 37.7 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -111.3 | 108.4 | 172.6 | -170.1 | -178.5 | -177.8 | -174.2 | 0 | 108.3 | ||||
| 315 | E | 41.6 | Very low | 38.3 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -78.1 | 129.9 | 171 | -73 | -171.2 | 152.6 | 0 | 0 | 110.9 | ||||
| 316 | D | 39.2 | Very low | 39.4 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 128.9 | 175.8 | -74.4 | -38.6 | 0 | 0 | 0 | 111.4 | ||||
| 317 | I | 47 | Very low | 39.7 | Very low | 157 Ų | 157 | 161.9 Ų | 161.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -117.1 | 115.2 | 162.7 | -65.5 | 176.7 | 0 | 0 | 0 | 108.7 | ||||
| 318 | Y | 35.9 | Very low | 40.8 | Very low | 212 Ų | 212 | 160.4 Ų | 160.4 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 132.2 | 179.8 | -139 | -96.3 | 0 | 0 | 0 | 111.1 | ||||
| 319 | V | 47.3 | Very low | 41.6 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | -131.5 | 124.4 | 162.3 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 320 | N | 35.7 | Very low | 42.6 | Very low | 139 Ų | 139 | 163.6 Ų | 163.6 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 128.8 | -173.8 | -165 | 13.8 | 0 | 0 | 0 | 111.6 | ||
| 321 | Y | 45 | Very low | 43.3 | Very low | 205 Ų | 205 | 167 Ų | 167 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 124.8 | 170.9 | -94.3 | -89.2 | 0 | 0 | 0 | 110.5 | T323 | Y321-T323 PolarHBondContact O-N 3.15Š|
| 322 | P | 50.3 | Low | 43.8 | Very low | 124 Ų | 124 | 172.4 Ų | 172.4 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 118.3 | 171.9 | 29.4 | -28.1 | 0 | 0 | 0 | 110.9 | ||
| 323 | T | 45.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 173.6 Ų | 173.6 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 128.1 | 166 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | Y321 | Y321-T323 PolarHBondContact O-N 3.15Š|
| 324 | F | 40.3 | Very low | 44.5 | Very low | 209 Ų | 209 | 172.5 Ų | 172.5 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -177.2 | 144.9 | 149.6 | -92.2 | -67.8 | 0 | 0 | 0 | 106.8 | ||||
| 325 | S | 41.6 | Very low | 45 | Very low | 103 Ų | 103 | 172.4 Ų | 172.4 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | cis | -159.5 | 145.8 | 4.1 | 56.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 326 | R | 51.6 | Low | 45.2 | Very low | 244 Ų | 244 | 171.8 Ų | 171.8 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -76.3 | 143.5 | 163.3 | -79.3 | 176.7 | 170.4 | 175.7 | -2.6 | 109.7 | ||||
| 327 | R | 49.2 | Very low | 45.5 | Very low | 238 Ų | 238 | 173.4 Ų | 173.4 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -165.8 | 161.4 | 153.9 | -115.1 | -175.7 | -155.2 | -160.5 | 7.3 | 110.9 | ||||
| 328 | P | 52.4 | Low | 45.4 | Very low | 111 Ų | 111 | 174.5 Ų | 174.5 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | -128 | 166.3 | -85.2 | 37.1 | -21 | 0 | 0 | 0 | 113.4 | |||||
| 329 | K | 46.2 | Very low | 46.1 | Very low | 207 Ų | 207 | 171.9 Ų | 171.9 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -85.6 | 143.3 | 152.5 | -81.4 | -176.4 | 175.7 | -178.6 | 0 | 108.5 | ||||
| 330 | P | 50.5 | Low | 46 | Very low | 102 Ų | 102 | 175.7 Ų | 175.7 | 66% | 0.662 | 83% | 0.831 | S | S | * | * | -150.6 | 150 | 108 | 32.6 | -12.4 | 0 | 0 | 0 | 115 | |||||
| 331 | R | 45.1 | Very low | 46.9 | Very low | 221 Ų | 221 | 178.8 Ų | 178.8 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | 66.7 | 132 | 113.2 | -61.9 | 178.8 | 180 | 174.2 | -1.3 | 114.6 | |||||
| 332 | F | 45.5 | Very low | 47.1 | Very low | 262 Ų | 262 | 176.4 Ų | 176.4 | 100% | 1.149 | 84% | 0.842 | S | S | * | * | cis | -139.2 | 0 | 25.7 | -93 | -91.2 | 0 | 0 | 0 | 110.8 |
Retrieved 332 of 332 residues in 159.9 ms
(Link to these results)