| 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 | 38.3 | Very low | 48.3 | Very low | 242 Ų | 242 | 158.5 Ų | 158.5 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | 0 | 135.3 | 0 | -140.5 | 178.5 | -171.9 | 0 | 0 | 107.7 | |||||
| 2 | R | 42.5 | Very low | 48.1 | Very low | 245 Ų | 245 | 150.9 Ų | 150.9 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | 82.5 | 83.4 | 176.5 | -57.8 | -175.5 | 175.1 | -175.6 | -1.9 | 117.2 | ||||
| 3 | S | 49.1 | Very low | 47.8 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | trans | -69.6 | 120.8 | 149.1 | -61.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | A | 51.9 | Low | 47.6 | Very low | 98 Ų | 98 | 153.9 Ų | 153.9 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | trans | -83 | 110.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | C6 | A4-C6 PolarHBondContact O-N 2.59Š| ||
| 5 | V | 51.2 | Low | 48.4 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 72% | 0.715 | 84% | 0.838 | S | S | * | * | trans | -82.2 | 103.9 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | F7 | V5-F7 HydrophobicContact CG1-CD2 4.3Å; V5-F7 HydrophobicContact CG1-CE2 4.25Å; V5-F7 PolarHBondContact O-N 3.38Å | ||
| 6 | C | 53.4 | Low | 50.4 | Low | 117 Ų | 117 | 145.9 Ų | 145.9 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -74.1 | 109.5 | 169.8 | -83.1 | 0 | 0 | 0 | 0 | 109.6 | A4 L8 | A4-C6 PolarHBondContact O-N 2.59Å; C6-L8 PolarHBondContact O-N 3.2Å | ||
| 7 | F | 47.6 | Very low | 52.8 | Low | 198 Ų | 198 | 140.5 Ų | 140.5 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -73 | 106.4 | 165.3 | -89 | -93.7 | 0 | 0 | 0 | 109.2 | V5 A9 | V5-F7 HydrophobicContact CG1-CD2 4.3Å; V5-F7 HydrophobicContact CG1-CE2 4.25Å; V5-F7 PolarHBondContact O-N 3.38Å; F7-A9 PolarHBondContact O-N 3.05Å | ||
| 8 | L | 51 | Low | 55.2 | Low | 155 Ų | 155 | 135.1 Ų | 135.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -77.1 | 102.8 | 163.5 | -93.1 | 148.5 | 0 | 0 | 0 | 108.1 | C6 F10 | C6-L8 PolarHBondContact O-N 3.2Å; L8-F10 PolarHBondContact O-N 2.91Å | ||
| 9 | A | 49.3 | Very low | 57.4 | Low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -70.2 | 108.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F7 L11 | F7-A9 PolarHBondContact O-N 3.05Å; A9-L11 PolarHBondContact O-N 3.18Å; A9-L11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | F | 47.6 | Very low | 59.4 | Low | 203 Ų | 203 | 125.3 Ų | 125.3 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | trans | -70 | 97.7 | 165.7 | -93.8 | -93.9 | 0 | 0 | 0 | 108.5 | L8 G12 | L8-F10 PolarHBondContact O-N 2.91Å; F10-G12 PolarHBondContact O-N 3.34Å; F10-G12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | L | 49.2 | Very low | 61.1 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -70.3 | 98.5 | 162.5 | -82.5 | 157.3 | 0 | 0 | 0 | 107.6 | A9 F13 | A9-L11 PolarHBondContact O-N 3.18Å; A9-L11 VanDerWaalsContact O-N 3.09Å; L11-F13 PolarHBondContact O-N 3.39Å; L11-F13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | G | 46.7 | Very low | 63.8 | Low | 68 Ų | 68 | 113.7 Ų | 113.7 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | trans | -63.9 | 111.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | F10 V14 | F10-G12 PolarHBondContact O-N 3.34Å; F10-G12 VanDerWaalsContact O-N 3.13Å; G12-V14 PolarHBondContact O-N 2.83Å | ||
| 13 | F | 43.9 | Very low | 66.3 | Low | 206 Ų | 206 | 103.7 Ų | 103.7 | 90% | 0.904 | 62% | 0.619 | S | S | * | * | trans | -65.7 | 102.3 | 164.8 | -99.8 | -95.9 | 0 | 0 | 0 | 107.9 | L11 A15 | L11-F13 PolarHBondContact O-N 3.39Å; L11-F13 VanDerWaalsContact O-N 3.17Å; F13-A15 PolarHBondContact O-N 3.25Å | ||
| 14 | V | 44.6 | Very low | 68.2 | Low | 137 Ų | 137 | 101.8 Ų | 101.8 | 83% | 0.83 | 60% | 0.602 | S | S | * | * | trans | -75.1 | 104.2 | 162.6 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | G12 A16 | G12-V14 PolarHBondContact O-N 2.83Å; V14-A16 PolarHBondContact O-N 2.8Å | ||
| 15 | A | 59 | Low | 70.1 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | F13 | F13-A15 PolarHBondContact O-N 3.25Š|
| 16 | A | 81 | Confident | 72 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 76% | 0.76 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V14 | V14-A16 PolarHBondContact O-N 2.8Š|
| 17 | S | 91.7 | Very high | 74 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 138 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | V19 E57 | S17-V19 PolarHBondContact OG-N 2.85Å; S17-V19 PolarHBondContact OG-O 3.42Å; S17-E57 WeakPolarHBondContact CA-OE1 3.42Å; S17-E57 VanDerWaalsContact OG-CD 3.25Å; S17-E57 PolarHBondContact OG-OE1 3.47Å; S17-E57 VanDerWaalsContact OG-OE1 3.1Å; S17-E57 PolarHBondContact OG-OE2 3.31Å |
| 18 | D | 95.4 | Very high | 76.1 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 23% | 0.23 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -78.3 | -10.6 | 171.3 | -79.6 | -39.9 | 0 | 0 | 0 | 111.9 | E57 A60 T61 K64 | D18-E57 PolarHBondContact N-OE1 2.9Å; D18-A60 HydrophobicContact CB-CB 3.94Å; D18-T61 WeakPolarHBondContact OD2-CA 3.32Å; D18-T61 WeakPolarHBondContact OD2-CB 3.42Å; D18-T61 PolarHBondContact OD2-OG1 2.77Å; D18-K64 WeakPolarHBondContact OD1-CD 3.38Å; D18-K64 IonicContact OD1-NZ 2.8Å; D18-K64 PolarHBondContact OD1-NZ 3.32Å |
| 19 | V | 97.3 | Very high | 78.2 | Confident | 10 Ų | 10 | 85.3 Ų | 85.3 | 6% | 0.061 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -83.8 | 118.6 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | S17 Y56 E57 A60 L72 K74 | S17-V19 PolarHBondContact OG-N 2.85Å; S17-V19 PolarHBondContact OG-O 3.42Å; V19-Y56 HydrophobicContact CG1-CD1 3.84Å; V19-Y56 HydrophobicContact CG1-CE1 3.74Å; V19-Y56 HydrophobicContact CG2-CD1 3.78Å; V19-Y56 HydrophobicContact CG2-CE1 4.34Å; V19-E57 WeakPolarHBondContact CG2-OE2 3.17Å; V19-A60 HydrophobicContact CG2-CB 3.69Å; V19-L72 WeakPolarHBondContact CA-O 3.27Å; V19-K74 HydrophobicContact CG1-CB 4.01Å; V19-K74 HydrophobicContact CG1-CD 3.91Å; V19-K74 HydrophobicContact CG1-CG 3.96Å |
| 20 | L | 96.6 | Very high | 80.3 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 34% | 0.335 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 151.1 | 175.4 | -55.6 | 177.8 | 0 | 0 | 0 | 110.5 | F22 H34 I37 P71 L72 A73 K74 | L20-F22 HydrophobicContact CB-CE1 4.02Å; L20-F22 HydrophobicContact CB-CZ 4.32Å; L20-F22 HydrophobicContact CD1-CE1 4.16Å; L20-F22 HydrophobicContact CD1-CZ 3.98Å; L20-H34 WeakPolarHBondContact CD1-NE2 3.23Å; L20-I37 HydrophobicContact CD1-CD1 4.36Å; L20-P71 HydrophobicContact CD1-CB 3.87Å; L20-L72 PolarHBondContact N-O 3.33Å; L20-A73 HydrophobicContact CB-CB 3.89Å; L20-A73 CarbonylContact O-C 3.51Å; L20-A73 WeakPolarHBondContact O-CA 3.27Å; L20-K74 PolarHBondContact O-N 3.35Å |
| 21 | E | 95.8 | Very high | 82.5 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124 | 174.5 | -172.5 | 162 | 179.9 | 0 | 0 | 108.8 | K74 | E21-K74 WeakPolarHBondContact CA-O 3.23Å; E21-K74 HydrophobicContact CB-CG 4.5Å; E21-K74 HydrophobicContact CG-CG 4.46Å |
| 22 | F | 95.4 | Very high | 84.6 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 4% | 0.044 | 43% | 0.426 | C | S | . | . | trans | -112.1 | 148.1 | -179.7 | -65 | -24.1 | 0 | 0 | 0 | 111.5 | L20 D26 F27 I31 I37 A73 K74 I75 | L20-F22 HydrophobicContact CB-CE1 4.02Å; L20-F22 HydrophobicContact CB-CZ 4.32Å; L20-F22 HydrophobicContact CD1-CE1 4.16Å; L20-F22 HydrophobicContact CD1-CZ 3.98Å; F22-D26 VanDerWaalsContact CA-OD1 3.31Å; F22-D26 WeakPolarHBondContact CA-OD1 3.09Å; F22-F27 HydrophobicContact CB-CD2 4.1Å; F22-F27 AromaticContact CD2-CD2 3.92Å; F22-F27 HydrophobicContact CD2-CD2 3.92Å; F22-F27 HydrophobicContact CD2-CE2 4.29Å; F22-F27 HydrophobicContact CG-CD2 4.41Å; F22-I31 HydrophobicContact CE2-CD1 4.04Å; F22-I37 HydrophobicContact CE2-CD1 3.68Å; F22-I37 HydrophobicContact CZ-CD1 3.82Å; F22-A73 HydrophobicContact CD2-CB 3.67Å; F22-A73 HydrophobicContact CE2-CB 3.53Å; F22-A73 HydrophobicContact CG-CB 4.25Å; F22-A73 HydrophobicContact CZ-CB 3.99Å; F22-K74 PolarHBondContact N-O 3.24Å; F22-I75 HydrophobicContact CB-CD1 4.38Å; F22-I75 HydrophobicContact CB-CG1 3.98Å | ||
| 23 | T | 93.7 | Very high | 86.8 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 21% | 0.209 | 43% | 0.426 | C | S | . | . | trans | -127.7 | 166 | 179.8 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | S25 D26 F27 | T23-S25 PolarHBondContact O-N 3.34Å; T23-S25 VanDerWaalsContact O-N 3.08Å; T23-S25 PolarHBondContact OG1-N 3.39Å; T23-S25 PolarHBondContact OG1-OG 2.85Å; T23-D26 PolarHBondContact N-OD1 3.05Å; T23-D26 PolarHBondContact N-OD2 2.88Å; T23-D26 PolarHBondContact O-N 3.34Å; T23-D26 VanDerWaalsContact O-N 3.16Å; T23-D26 VanDerWaalsContact OG1-CG 3.23Å; T23-D26 PolarHBondContact OG1-OD2 3.28Å; T23-F27 VanDerWaalsContact O-CB 3.25Å; T23-F27 WeakPolarHBondContact O-CB 3.12Å; T23-F27 PolarHBondContact O-N 2.79Å | ||
| 24 | V | 90.1 | Very high | 89.1 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.4 | 176.5 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | L83 | V24-L83 HydrophobicContact CB-CD1 4.28Å; V24-L83 HydrophobicContact CB-CG 4.16Å; V24-L83 HydrophobicContact CG2-CD2 4.46Å; V24-L83 HydrophobicContact CG2-CG 4.22Å |
| 25 | S | 90.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -26.2 | 179.5 | 37.7 | 0 | 0 | 0 | 0 | 114.9 | T23 | T23-S25 PolarHBondContact O-N 3.34Å; T23-S25 VanDerWaalsContact O-N 3.08Å; T23-S25 PolarHBondContact OG1-N 3.39Å; T23-S25 PolarHBondContact OG1-OG 2.85Å |
| 26 | D | 93 | Very high | 92.9 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -20.6 | -174.5 | 57.4 | 40.3 | 0 | 0 | 0 | 113.4 | F22 T23 D28 D29 S30 | F22-D26 VanDerWaalsContact CA-OD1 3.31Å; F22-D26 WeakPolarHBondContact CA-OD1 3.09Å; T23-D26 PolarHBondContact N-OD1 3.05Å; T23-D26 PolarHBondContact N-OD2 2.88Å; T23-D26 PolarHBondContact O-N 3.34Å; T23-D26 VanDerWaalsContact O-N 3.16Å; T23-D26 VanDerWaalsContact OG1-CG 3.23Å; T23-D26 PolarHBondContact OG1-OD2 3.28Å; D26-D28 PolarHBondContact O-N 2.98Å; D26-D29 PolarHBondContact O-N 3.17Å; D26-D29 VanDerWaalsContact O-N 3.08Å; D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 3.3Å; D26-S30 PolarHBondContact O-OG 3.49Å |
| 27 | F | 94.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54 | -50.6 | -167.5 | 177.7 | -86.9 | 0 | 0 | 0 | 113.3 | F22 T23 D29 S30 I31 I75 L83 F87 F98 | F22-F27 HydrophobicContact CB-CD2 4.1Å; F22-F27 AromaticContact CD2-CD2 3.92Å; F22-F27 HydrophobicContact CD2-CD2 3.92Å; F22-F27 HydrophobicContact CD2-CE2 4.29Å; F22-F27 HydrophobicContact CG-CD2 4.41Å; T23-F27 VanDerWaalsContact O-CB 3.25Å; T23-F27 WeakPolarHBondContact O-CB 3.12Å; T23-F27 PolarHBondContact O-N 2.79Å; F27-D29 PolarHBondContact O-N 3.1Å; F27-S30 PolarHBondContact O-N 2.55Å; F27-I31 HydrophobicContact CD1-CG2 4.45Å; F27-I31 HydrophobicContact CE1-CB 4.28Å; F27-I31 HydrophobicContact CE1-CG1 4.42Å; F27-I31 HydrophobicContact CE1-CG2 4.08Å; F27-I31 HydrophobicContact CE2-CD1 3.98Å; F27-I31 HydrophobicContact CE2-CG1 4.38Å; F27-I31 HydrophobicContact CZ-CB 4.21Å; F27-I31 HydrophobicContact CZ-CD1 3.99Å; F27-I31 HydrophobicContact CZ-CG1 3.96Å; F27-I31 HydrophobicContact CZ-CG2 4.46Å; F27-I31 WeakPolarHBondContact O-CB 3.3Å; F27-I31 WeakPolarHBondContact O-CG2 3.29Å; F27-I31 PolarHBondContact O-N 3.39Å; F27-I75 HydrophobicContact CD2-CD1 3.67Å; F27-I75 HydrophobicContact CE2-CD1 3.74Å; F27-L83 HydrophobicContact CB-CD1 3.86Å; F27-L83 HydrophobicContact CB-CD2 4.08Å; F27-L83 HydrophobicContact CD1-CD2 4.03Å; F27-L83 HydrophobicContact CD2-CD1 4.31Å; F27-L83 HydrophobicContact CG-CD1 4.12Å; F27-L83 HydrophobicContact CG-CD2 3.98Å; F27-F87 HydrophobicContact CD1-CE2 4.33Å; F27-F87 HydrophobicContact CD1-CZ 4.46Å; F27-F87 AromaticContact CE1-CE2 3.58Å; F27-F87 HydrophobicContact CE1-CE2 3.58Å; F27-F87 AromaticContact CE1-CZ 3.43Å; F27-F87 HydrophobicContact CE1-CZ 3.43Å; F27-F87 VanDerWaalsContact CE1-CZ 3.43Å; F27-F87 HydrophobicContact CE2-CE2 4.15Å; F27-F87 AromaticContact CZ-CE2 3.46Å; F27-F87 HydrophobicContact CZ-CE2 3.46Å; F27-F87 VanDerWaalsContact CZ-CE2 3.46Å; F27-F87 AromaticContact CZ-CZ 3.45Å; F27-F87 HydrophobicContact CZ-CZ 3.45Å; F27-F87 VanDerWaalsContact CZ-CZ 3.45Å; F27-F98 HydrophobicContact CE1-CE1 4.4Å; F27-F98 HydrophobicContact CE2-CZ 4.41Å; F27-F98 HydrophobicContact CZ-CD1 4.34Å; F27-F98 AromaticContact CZ-CE1 3.66Å; F27-F98 HydrophobicContact CZ-CE1 3.66Å; F27-F98 HydrophobicContact CZ-CE2 4.5Å; F27-F98 AromaticContact CZ-CZ 3.76Å; F27-F98 HydrophobicContact CZ-CZ 3.76Å |
| 28 | D | 92.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -20.2 | -173.5 | -75.1 | -26.7 | 0 | 0 | 0 | 113 | D26 K32 K86 | D26-D28 PolarHBondContact O-N 2.98Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CE 3.35Å; D28-K32 PolarHBondContact O-NZ 3.18Å; D28-K86 IonicContact OD1-NZ 4Å; D28-K86 PolarHBondContact OD1-NZ 3.16Å; D28-K86 IonicContact OD2-NZ 3.88Å |
| 29 | D | 93.7 | Very high | 94.1 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -93 | -51.2 | 175.4 | -70.3 | -24.7 | 0 | 0 | 0 | 110.4 | D26 F27 I31 K32 | D26-D29 PolarHBondContact O-N 3.17Å; D26-D29 VanDerWaalsContact O-N 3.08Å; F27-D29 PolarHBondContact O-N 3.1Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 2.84Å; D29-K32 PolarHBondContact O-N 3.31Å; D29-K32 VanDerWaalsContact O-N 3.12Å |
| 30 | S | 93.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | -179.1 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | D26 F27 K32 E33 H34 | D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 3.3Å; D26-S30 PolarHBondContact O-OG 3.49Å; F27-S30 PolarHBondContact O-N 2.55Å; S30-K32 PolarHBondContact O-N 2.85Å; S30-E33 PolarHBondContact O-N 3.42Å; S30-H34 PolarHBondContact O-CD2 3.15Å; S30-H34 VanDerWaalsContact O-CD2 3.28Å |
| 31 | I | 94.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.1 | -25.4 | 179.4 | -157.3 | 73.3 | 0 | 0 | 0 | 112.7 | F22 F27 D29 I37 V39 F98 G101 | F22-I31 HydrophobicContact CE2-CD1 4.04Å; F27-I31 HydrophobicContact CD1-CG2 4.45Å; F27-I31 HydrophobicContact CE1-CB 4.28Å; F27-I31 HydrophobicContact CE1-CG1 4.42Å; F27-I31 HydrophobicContact CE1-CG2 4.08Å; F27-I31 HydrophobicContact CE2-CD1 3.98Å; F27-I31 HydrophobicContact CE2-CG1 4.38Å; F27-I31 HydrophobicContact CZ-CB 4.21Å; F27-I31 HydrophobicContact CZ-CD1 3.99Å; F27-I31 HydrophobicContact CZ-CG1 3.96Å; F27-I31 HydrophobicContact CZ-CG2 4.46Å; F27-I31 WeakPolarHBondContact O-CB 3.3Å; F27-I31 WeakPolarHBondContact O-CG2 3.29Å; F27-I31 PolarHBondContact O-N 3.39Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 2.84Å; I31-I37 HydrophobicContact CD1-CD1 4.48Å; I31-I37 HydrophobicContact CD1-CG2 3.47Å; I31-I37 VanDerWaalsContact CD1-CG2 3.47Å; I31-I37 HydrophobicContact CG1-CG2 4.28Å; I31-V39 HydrophobicContact CD1-CG2 3.86Å; I31-F98 HydrophobicContact CD1-CB 3.84Å; I31-F98 HydrophobicContact CD1-CD1 4.01Å; I31-F98 HydrophobicContact CD1-CD2 4.04Å; I31-F98 HydrophobicContact CD1-CG 3.7Å; I31-F98 HydrophobicContact CG1-CB 3.93Å; I31-F98 HydrophobicContact CG1-CD1 3.76Å; I31-F98 HydrophobicContact CG1-CE1 4.45Å; I31-F98 HydrophobicContact CG1-CG 3.89Å; I31-G101 WeakPolarHBondContact O-CA 3.49Å; I31-G101 PolarHBondContact O-N 3.47Å |
| 32 | K | 93.2 | Very high | 94.3 | Very high | 130 Ų | 130 | 46.2 Ų | 46.2 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -82.8 | -19.4 | 179.4 | -66.5 | 174.3 | -170.8 | 133.8 | 0 | 113 | D28 D29 S30 H34 | D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CE 3.35Å; D28-K32 PolarHBondContact O-NZ 3.18Å; D29-K32 PolarHBondContact O-N 3.31Å; D29-K32 VanDerWaalsContact O-N 3.12Å; S30-K32 PolarHBondContact O-N 2.85Å; K32-H34 PolarHBondContact O-N 3Å |
| 33 | E | 93.5 | Very high | 94.4 | Very high | 148 Ų | 148 | 45.7 Ų | 45.7 | 69% | 0.692 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -70.2 | -12.6 | 175.4 | -61.4 | -175.4 | 173.2 | 0 | 0 | 112.4 | S30 | S30-E33 PolarHBondContact O-N 3.42Š|
| 34 | H | 92.2 | Very high | 94.4 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | trans | -118.2 | 118.4 | -174.1 | -56.3 | -45.4 | 0 | 0 | 0 | 111.1 | L20 S30 K32 L36 I37 P71 | L20-H34 WeakPolarHBondContact CD1-NE2 3.23Å; S30-H34 PolarHBondContact O-CD2 3.15Å; S30-H34 VanDerWaalsContact O-CD2 3.28Å; K32-H34 PolarHBondContact O-N 3Å; H34-L36 PolarHBondContact O-N 2.93Å; H34-I37 HydrophobicContact CB-CB 4.01Å; H34-I37 HydrophobicContact CB-CD1 4.41Å; H34-I37 HydrophobicContact CB-CG2 4.12Å; H34-I37 VanDerWaalsContact CD2-CD1 3.49Å; H34-I37 WeakPolarHBondContact CD2-CD1 3.25Å; H34-P71 HydrophobicContact CB-CG 3.87Å; H34-P71 VanDerWaalsContact CG-CG 3.49Å | ||
| 35 | D | 90.3 | Very high | 94.6 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -60.8 | -34.7 | 176.5 | -91.3 | -23.2 | 0 | 0 | 0 | 112.1 | R99 K100 | D35-R99 CarbonylContact O-C 3.59Å; D35-R99 WeakPolarHBondContact O-CA 3.08Å; D35-R99 WeakPolarHBondContact O-CG 3.37Å; D35-K100 PolarHBondContact O-N 3.2Å |
| 36 | L | 93.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 128.7 | 177.4 | 178.8 | 68.8 | 0 | 0 | 0 | 108.9 | H34 I70 P71 V97 F98 M120 L123 | H34-L36 PolarHBondContact O-N 2.93Å; L36-I70 HydrophobicContact CD2-CD1 4.34Å; L36-I70 HydrophobicContact CD2-CG1 4.38Å; L36-I70 HydrophobicContact CD2-CG2 3.97Å; L36-I70 HydrophobicContact CG-CG2 4.06Å; L36-P71 WeakPolarHBondContact O-CD 3.36Å; L36-V97 HydrophobicContact CD1-CG1 3.79Å; L36-F98 WeakPolarHBondContact CA-O 3.41Å; L36-M120 HydrophobicContact CD1-CE 3.94Å; L36-M120 HydrophobicContact CD2-CE 4.03Å; L36-M120 WeakPolarHBondContact CD2-O 3.41Å; L36-M120 HydrophobicContact CG-CE 3.69Å; L36-L123 HydrophobicContact CD1-CB 4.02Å; L36-L123 HydrophobicContact CD1-CD1 4.4Å; L36-L123 HydrophobicContact CD2-CB 3.75Å |
| 37 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 141.3 | -179.1 | -179.2 | 164.2 | 0 | 0 | 0 | 110.8 | L20 F22 I31 H34 V39 P71 A73 F98 | L20-I37 HydrophobicContact CD1-CD1 4.36Å; F22-I37 HydrophobicContact CE2-CD1 3.68Å; F22-I37 HydrophobicContact CZ-CD1 3.82Å; I31-I37 HydrophobicContact CD1-CD1 4.48Å; I31-I37 HydrophobicContact CD1-CG2 3.47Å; I31-I37 VanDerWaalsContact CD1-CG2 3.47Å; I31-I37 HydrophobicContact CG1-CG2 4.28Å; H34-I37 HydrophobicContact CB-CB 4.01Å; H34-I37 HydrophobicContact CB-CD1 4.41Å; H34-I37 HydrophobicContact CB-CG2 4.12Å; H34-I37 VanDerWaalsContact CD2-CD1 3.49Å; H34-I37 WeakPolarHBondContact CD2-CD1 3.25Å; I37-V39 HydrophobicContact CG1-CG2 4.29Å; I37-P71 HydrophobicContact CB-CG 4.03Å; I37-P71 HydrophobicContact CD1-CB 4.08Å; I37-P71 HydrophobicContact CD1-CG 3.89Å; I37-P71 HydrophobicContact CG1-CB 4.3Å; I37-P71 HydrophobicContact CG1-CG 4Å; I37-P71 WeakPolarHBondContact CG1-O 3.42Å; I37-A73 HydrophobicContact CD1-CB 3.94Å; I37-F98 HydrophobicContact CG2-CB 3.67Å; I37-F98 PolarHBondContact N-O 3.33Å; I37-F98 PolarHBondContact O-N 3.18Å |
| 38 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.4 | 170.7 | -172.1 | 57.8 | 0 | 0 | 0 | 109 | Y56 P71 L72 A73 L95 V97 Y107 I116 M120 | L38-Y56 HydrophobicContact CD2-CE2 3.91Å; L38-Y56 HydrophobicContact CG-CE2 4.23Å; L38-Y56 PolarHBondContact O-OH 3.49Å; L38-P71 PolarHBondContact N-O 3Å; L38-L72 HydrophobicContact CB-CD2 4.26Å; L38-L72 HydrophobicContact CB-CG 4.15Å; L38-L72 HydrophobicContact CD2-CD2 3.96Å; L38-L72 CarbonylContact O-C 3.53Å; L38-L72 WeakPolarHBondContact O-CA 3.27Å; L38-A73 PolarHBondContact O-N 2.89Å; L38-L95 HydrophobicContact CD1-CB 4.21Å; L38-L95 HydrophobicContact CD2-CD2 4.07Å; L38-L95 HydrophobicContact CG-CD2 4.41Å; L38-V97 HydrophobicContact CD1-CG2 3.98Å; L38-Y107 HydrophobicContact CD1-CD2 3.86Å; L38-Y107 HydrophobicContact CD1-CG 4.07Å; L38-Y107 HydrophobicContact CD2-CD2 4.06Å; L38-Y107 HydrophobicContact CD2-CE2 4.25Å; L38-I116 HydrophobicContact CD2-CG2 3.71Å; L38-M120 HydrophobicContact CB-CE 3.88Å; L38-M120 HydrophobicContact CB-CG 4.28Å; L38-M120 HydrophobicContact CB-SD 3.79Å; L38-M120 HydrophobicContact CD1-SD 4.13Å; L38-M120 HydrophobicContact CD2-CG 4.05Å; L38-M120 HydrophobicContact CD2-SD 4.03Å; L38-M120 HydrophobicContact CG-SD 4.21Å |
| 39 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.5 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | I31 I37 F41 A73 I75 L95 K96 F98 | I31-V39 HydrophobicContact CD1-CG2 3.86Å; I37-V39 HydrophobicContact CG1-CG2 4.29Å; V39-F41 HydrophobicContact CB-CE2 4.14Å; V39-F41 HydrophobicContact CG1-CD2 4.37Å; V39-F41 HydrophobicContact CG1-CE2 3.85Å; V39-F41 HydrophobicContact CG1-CZ 4.05Å; V39-A73 CarbonylContact C-O 3.48Å; V39-A73 WeakPolarHBondContact CA-O 3.4Å; V39-A73 HydrophobicContact CG2-CB 4.32Å; V39-I75 HydrophobicContact CG1-CD1 3.58Å; V39-I75 HydrophobicContact CG1-CG1 3.95Å; V39-L95 WeakPolarHBondContact O-CA 3.39Å; V39-K96 PolarHBondContact N-O 3.13Å; V39-K96 PolarHBondContact O-N 3.27Å; V39-F98 HydrophobicContact CB-CD2 4.1Å; V39-F98 HydrophobicContact CB-CE2 3.81Å; V39-F98 HydrophobicContact CG2-CD2 3.5Å; V39-F98 VanDerWaalsContact CG2-CD2 3.5Å; V39-F98 HydrophobicContact CG2-CE2 3.63Å; V39-F98 HydrophobicContact CG2-CG 4.48Å |
| 40 | E | 98.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.8 | 170.8 | -173.2 | -168.5 | -176.8 | 0 | 0 | 110.8 | F42 L52 Y56 A73 K74 I75 P93 L95 | E40-F42 HydrophobicContact CG-CB 4.19Å; E40-L52 HydrophobicContact CG-CD2 4.27Å; E40-L52 WeakPolarHBondContact OE1-CD2 3.42Å; E40-Y56 HydrophobicContact CB-CE1 3.92Å; E40-Y56 HydrophobicContact CB-CE2 4.21Å; E40-Y56 PolarHBondContact N-OH 3.02Å; E40-A73 PolarHBondContact N-O 3.13Å; E40-K74 HydrophobicContact CB-CB 4.34Å; E40-K74 CarbonylContact O-C 3.49Å; E40-K74 VanDerWaalsContact O-CA 3.25Å; E40-K74 WeakPolarHBondContact O-CA 3.34Å; E40-I75 PolarHBondContact O-N 3.25Å; E40-P93 HydrophobicContact CG-CB 4.08Å; E40-P93 WeakPolarHBondContact OE1-CB 3.31Å; E40-L95 HydrophobicContact CB-CG 4.48Å; E40-L95 HydrophobicContact CG-CG 4.45Å |
| 41 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.4 | 167.6 | -63.4 | -95 | 0 | 0 | 0 | 108.4 | V39 I75 C84 F87 V89 P93 T94 K96 F98 | V39-F41 HydrophobicContact CB-CE2 4.14Å; V39-F41 HydrophobicContact CG1-CD2 4.37Å; V39-F41 HydrophobicContact CG1-CE2 3.85Å; V39-F41 HydrophobicContact CG1-CZ 4.05Å; F41-I75 HydrophobicContact CD1-CB 4.13Å; F41-I75 HydrophobicContact CD1-CD1 4.18Å; F41-I75 HydrophobicContact CD1-CG2 4.24Å; F41-I75 HydrophobicContact CE1-CB 4.38Å; F41-I75 HydrophobicContact CE1-CD1 3.57Å; F41-I75 HydrophobicContact CE1-CG2 4.45Å; F41-I75 HydrophobicContact CZ-CD1 3.91Å; F41-C84 HydrophobicContact CD1-CB 4.47Å; F41-F87 HydrophobicContact CE1-CB 4.24Å; F41-F87 AromaticContact CE1-CD2 3.68Å; F41-F87 HydrophobicContact CE1-CD2 3.68Å; F41-F87 HydrophobicContact CE1-CG 4.3Å; F41-F87 HydrophobicContact CZ-CB 4Å; F41-F87 AromaticContact CZ-CD2 3.49Å; F41-F87 HydrophobicContact CZ-CD2 3.49Å; F41-F87 VanDerWaalsContact CZ-CD2 3.49Å; F41-F87 HydrophobicContact CZ-CE2 4.21Å; F41-F87 AromaticContact CZ-CG 3.88Å; F41-F87 HydrophobicContact CZ-CG 3.88Å; F41-V89 HydrophobicContact CB-CG1 4.09Å; F41-V89 HydrophobicContact CB-CG2 3.76Å; F41-V89 HydrophobicContact CD1-CG2 3.74Å; F41-V89 HydrophobicContact CD2-CG2 4.16Å; F41-V89 HydrophobicContact CE1-CG2 4.36Å; F41-V89 HydrophobicContact CG-CG2 3.61Å; F41-P93 WeakPolarHBondContact O-CA 3.5Å; F41-T94 WeakPolarHBondContact CB-O 3.42Å; F41-T94 PolarHBondContact N-O 3.09Å; F41-T94 PolarHBondContact O-N 3.4Å; F41-K96 HydrophobicContact CD2-CD 4.31Å; F41-K96 HydrophobicContact CD2-CG 4.32Å; F41-K96 HydrophobicContact CE2-CB 4.05Å; F41-K96 HydrophobicContact CE2-CD 3.79Å; F41-K96 HydrophobicContact CE2-CG 3.99Å; F41-K96 HydrophobicContact CZ-CD 4.42Å; F41-F98 HydrophobicContact CE2-CE2 4.4Å; F41-F98 HydrophobicContact CZ-CZ 4.42Å |
| 42 | F | 97.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 57 Ų | 57 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 169.9 | -170.3 | 81.8 | -81.2 | 0 | 0 | 0 | 113.1 | E40 P44 C49 K74 I75 N76 C77 | E40-F42 HydrophobicContact CG-CB 4.19Å; F42-P44 HydrophobicContact CE2-CG 4.37Å; F42-C49 HydrophobicContact CB-CB 4.02Å; F42-K74 HydrophobicContact CD1-CB 4Å; F42-K74 HydrophobicContact CE1-CB 3.87Å; F42-K74 HydrophobicContact CE1-CD 4.06Å; F42-K74 HydrophobicContact CE1-CG 3.89Å; F42-K74 HydrophobicContact CZ-CD 4.47Å; F42-I75 WeakPolarHBondContact CD1-O 3.38Å; F42-I75 PolarHBondContact N-O 2.83Å; F42-N76 HydrophobicContact CE1-CB 3.97Å; F42-N76 HydrophobicContact CE2-CB 4.47Å; F42-N76 HydrophobicContact CZ-CB 3.81Å; F42-C77 WeakPolarHBondContact O-CB 3.47Å; F42-C77 PolarHBondContact O-N 3Å |
| 43 | A | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -131.1 | 135.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W45 C46 E78 Y92 | A43-W45 HydrophobicContact CB-CD2 4.28Å; A43-W45 HydrophobicContact CB-CZ2 3.95Å; A43-W45 PolarHBondContact O-N 3.02Å; A43-W45 VanDerWaalsContact O-N 3.14Å; A43-C46 HydrophobicContact CB-CB 4.4Å; A43-C46 WeakPolarHBondContact O-CB 3.29Å; A43-C46 PolarHBondContact O-N 3.25Å; A43-E78 HydrophobicContact CB-CG 4.41Å; A43-Y92 HydrophobicContact CB-CD2 3.72Å; A43-Y92 HydrophobicContact CB-CE2 3.91Å; A43-Y92 HydrophobicContact CB-CG 4.12Å | ||
| 44 | P | 94.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.5 | -175.5 | -28.7 | 32.8 | 0 | 0 | 0 | 115 | F42 K50 N76 E78 | F42-P44 HydrophobicContact CE2-CG 4.37Å; P44-K50 WeakPolarHBondContact O-CE 3.04Å; P44-N76 WeakPolarHBondContact CD-OD1 3.3Å; P44-E78 VanDerWaalsContact CD-OE2 3.31Å; P44-E78 WeakPolarHBondContact CD-OE2 3.33Å; P44-E78 WeakPolarHBondContact CG-OE2 3.16Å |
| 45 | W | 93.7 | Very high | 96.4 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 60% | 0.595 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.1 | 179.4 | 51.9 | -98.2 | 0 | 0 | 0 | 113.9 | A43 G47 E78 Y92 | A43-W45 HydrophobicContact CB-CD2 4.28Å; A43-W45 HydrophobicContact CB-CZ2 3.95Å; A43-W45 PolarHBondContact O-N 3.02Å; A43-W45 VanDerWaalsContact O-N 3.14Å; W45-G47 PolarHBondContact O-N 3.4Å; W45-E78 PolarHBondContact NE1-OE1 3.46Å; W45-Y92 HydrophobicContact CH2-CD2 4.28Å; W45-Y92 HydrophobicContact CZ2-CD2 4.34Å; W45-Y92 HydrophobicContact CZ2-CE2 4.3Å |
| 46 | C | 95.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 8% | 0.081 | 23% | 0.232 | C | C | . | . | trans | -75.6 | 120.8 | -173.6 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | A43 H48 C49 K50 Y92 | A43-C46 HydrophobicContact CB-CB 4.4Å; A43-C46 WeakPolarHBondContact O-CB 3.29Å; A43-C46 PolarHBondContact O-N 3.25Å; C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 3.05Å; C46-C49 HydrophobicContact CB-CB 3.98Å; C46-C49 VanDerWaalsContact CB-SG 3.57Å; C46-C49 WeakPolarHBondContact O-CB 3.11Å; C46-C49 PolarHBondContact O-N 2.91Å; C46-K50 WeakPolarHBondContact O-CG 3.44Å; C46-K50 PolarHBondContact O-N 2.88Å; C46-Y92 PolarHBondContact SG-O 3.42Å | ||
| 47 | G | 96 | Very high | 97 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -36.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W45 K50 K51 | W45-G47 PolarHBondContact O-N 3.4Å; G47-K50 PolarHBondContact O-N 3.49Å; G47-K51 PolarHBondContact O-N 2.93Å; G47-K51 VanDerWaalsContact O-N 3.09Å |
| 48 | H | 95.5 | Very high | 97.1 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 61% | 0.606 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.5 | -38.1 | 176.4 | -63.9 | 149.1 | 0 | 0 | 0 | 112.3 | C46 K51 L52 | C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 3.05Å; H48-K51 PolarHBondContact O-N 3.43Å; H48-L52 PolarHBondContact O-N 3.12Å |
| 49 | C | 96.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | F42 C46 K51 L52 A53 | F42-C49 HydrophobicContact CB-CB 4.02Å; C46-C49 HydrophobicContact CB-CB 3.98Å; C46-C49 VanDerWaalsContact CB-SG 3.57Å; C46-C49 WeakPolarHBondContact O-CB 3.11Å; C46-C49 PolarHBondContact O-N 2.91Å; C49-K51 PolarHBondContact O-N 3.34Å; C49-L52 PolarHBondContact O-N 3.47Å; C49-L52 VanDerWaalsContact O-N 3.11Å; C49-A53 PolarHBondContact O-N 3.12Å |
| 50 | K | 96.9 | Very high | 97.1 | Very high | 137 Ų | 137 | 52.3 Ų | 52.3 | 60% | 0.596 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.9 | -34.7 | 175.5 | -68.5 | 177.6 | -174.1 | 179 | 0 | 112.6 | P44 C46 G47 P54 | P44-K50 WeakPolarHBondContact O-CE 3.04Å; C46-K50 WeakPolarHBondContact O-CG 3.44Å; C46-K50 PolarHBondContact O-N 2.88Å; G47-K50 PolarHBondContact O-N 3.49Å; K50-P54 WeakPolarHBondContact O-CD 3.4Å |
| 51 | K | 97 | Very high | 97 | Very high | 167 Ų | 167 | 54.4 Ų | 54.4 | 73% | 0.726 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.5 | -36.7 | 176.2 | -172.3 | 178.7 | 177.2 | -175.5 | 0 | 112.4 | G47 H48 C49 P54 | G47-K51 PolarHBondContact O-N 2.93Å; G47-K51 VanDerWaalsContact O-N 3.09Å; H48-K51 PolarHBondContact O-N 3.43Å; C49-K51 PolarHBondContact O-N 3.34Å; K51-P54 WeakPolarHBondContact O-CD 3.39Å |
| 52 | L | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.4 | -39.5 | 178.7 | 174.8 | 58.8 | 0 | 0 | 0 | 112.4 | E40 H48 C49 P54 E55 Y56 P93 L95 R111 I116 | E40-L52 HydrophobicContact CG-CD2 4.27Å; E40-L52 WeakPolarHBondContact OE1-CD2 3.42Å; H48-L52 PolarHBondContact O-N 3.12Å; C49-L52 PolarHBondContact O-N 3.47Å; C49-L52 VanDerWaalsContact O-N 3.11Å; L52-P54 VanDerWaalsContact O-N 3.16Å; L52-E55 WeakPolarHBondContact O-CA 3.4Å; L52-E55 WeakPolarHBondContact O-CB 3.39Å; L52-E55 PolarHBondContact O-N 3.1Å; L52-Y56 HydrophobicContact CD1-CD2 4.31Å; L52-Y56 HydrophobicContact CG-CD2 4.42Å; L52-Y56 PolarHBondContact O-N 3.36Å; L52-P93 HydrophobicContact CD2-CB 3.88Å; L52-P93 HydrophobicContact CD2-CG 3.68Å; L52-L95 HydrophobicContact CD2-CD1 3.8Å; L52-L95 HydrophobicContact CD2-CD2 4.25Å; L52-L95 HydrophobicContact CD2-CG 4.44Å; L52-R111 HydrophobicContact CD1-CB 4.14Å; L52-R111 VanDerWaalsContact CD1-O 3.31Å; L52-R111 WeakPolarHBondContact CD1-O 3.49Å; L52-I116 HydrophobicContact CD1-CD1 4.04Å |
| 53 | A | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -43.4 | -50.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C49 E55 Y56 E57 | C49-A53 PolarHBondContact O-N 3.12Å; A53-E55 VanDerWaalsContact C-N 3.34Å; A53-E55 PolarHBondContact O-N 3.16Å; A53-Y56 PolarHBondContact O-N 2.94Å; A53-E57 WeakPolarHBondContact O-CB 3.3Å; A53-E57 PolarHBondContact O-N 3.28Å |
| 54 | P | 97.5 | Very high | 96.8 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -31.8 | 178.3 | 26.3 | -35.7 | 0 | 0 | 0 | 113.9 | K50 K51 L52 K58 | K50-P54 WeakPolarHBondContact O-CD 3.4Å; K51-P54 WeakPolarHBondContact O-CD 3.39Å; L52-P54 VanDerWaalsContact O-N 3.16Å; P54-K58 VanDerWaalsContact O-CG 3.28Å; P54-K58 WeakPolarHBondContact O-CG 3.5Å; P54-K58 PolarHBondContact O-N 3.49Å |
| 55 | E | 98.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.1 | -37.4 | 176.2 | -65.8 | -57.2 | 122.6 | 0 | 0 | 111.3 | L52 A53 K58 A59 A113 | L52-E55 WeakPolarHBondContact O-CA 3.4Å; L52-E55 WeakPolarHBondContact O-CB 3.39Å; L52-E55 PolarHBondContact O-N 3.1Å; A53-E55 VanDerWaalsContact C-N 3.34Å; A53-E55 PolarHBondContact O-N 3.16Å; E55-K58 PolarHBondContact O-N 3.29Å; E55-K58 IonicContact OE1-NZ 3.03Å; E55-K58 PolarHBondContact OE1-NZ 3.29Å; E55-A59 WeakPolarHBondContact O-CB 2.91Å; E55-A59 PolarHBondContact O-N 3.25Å; E55-A113 WeakPolarHBondContact O-CB 3.48Å; E55-A113 WeakPolarHBondContact OE2-CB 3.29Å; E55-A113 PolarHBondContact OE2-N 3.47Å |
| 56 | Y | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176 | -154.7 | -108.7 | 0 | 0 | 0 | 111.9 | V19 L38 E40 L52 A53 A59 A60 L72 A73 L95 I116 | V19-Y56 HydrophobicContact CG1-CD1 3.84Å; V19-Y56 HydrophobicContact CG1-CE1 3.74Å; V19-Y56 HydrophobicContact CG2-CD1 3.78Å; V19-Y56 HydrophobicContact CG2-CE1 4.34Å; L38-Y56 HydrophobicContact CD2-CE2 3.91Å; L38-Y56 HydrophobicContact CG-CE2 4.23Å; L38-Y56 PolarHBondContact O-OH 3.49Å; E40-Y56 HydrophobicContact CB-CE1 3.92Å; E40-Y56 HydrophobicContact CB-CE2 4.21Å; E40-Y56 PolarHBondContact N-OH 3.02Å; L52-Y56 HydrophobicContact CD1-CD2 4.31Å; L52-Y56 HydrophobicContact CG-CD2 4.42Å; L52-Y56 PolarHBondContact O-N 3.36Å; A53-Y56 PolarHBondContact O-N 2.94Å; Y56-A59 PolarHBondContact O-N 3.37Å; Y56-A60 WeakPolarHBondContact O-CB 3.02Å; Y56-A60 PolarHBondContact O-N 2.77Å; Y56-L72 HydrophobicContact CD1-CB 4.42Å; Y56-L72 HydrophobicContact CD1-CD2 4.42Å; Y56-L72 HydrophobicContact CD2-CD2 3.94Å; Y56-L72 HydrophobicContact CE1-CB 3.7Å; Y56-L72 HydrophobicContact CE1-CD2 4.05Å; Y56-L72 HydrophobicContact CE1-CG 4.49Å; Y56-L72 HydrophobicContact CE2-CD2 3.51Å; Y56-L72 HydrophobicContact CG-CD2 4.37Å; Y56-A73 WeakPolarHBondContact CE1-O 3.29Å; Y56-A73 PolarHBondContact OH-O 3.33Å; Y56-A73 VanDerWaalsContact OH-O 3.1Å; Y56-L95 HydrophobicContact CD2-CD2 4.28Å; Y56-L95 HydrophobicContact CE2-CD2 3.73Å; Y56-I116 HydrophobicContact CD2-CD1 3.98Å |
| 57 | E | 98.2 | Very high | 95.9 | Very high | 57 Ų | 57 | 66.9 Ų | 66.9 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.5 | -167.9 | 69.1 | -145 | 0 | 0 | 111.8 | S17 D18 V19 A53 A59 A60 T61 | S17-E57 WeakPolarHBondContact CA-OE1 3.42Å; S17-E57 VanDerWaalsContact OG-CD 3.25Å; S17-E57 PolarHBondContact OG-OE1 3.47Å; S17-E57 VanDerWaalsContact OG-OE1 3.1Å; S17-E57 PolarHBondContact OG-OE2 3.31Å; D18-E57 PolarHBondContact N-OE1 2.9Å; V19-E57 WeakPolarHBondContact CG2-OE2 3.17Å; A53-E57 WeakPolarHBondContact O-CB 3.3Å; A53-E57 PolarHBondContact O-N 3.28Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 2.88Å; E57-A60 WeakPolarHBondContact O-CB 3.3Å; E57-A60 PolarHBondContact O-N 2.83Å; E57-A60 VanDerWaalsContact O-N 3.15Å; E57-T61 PolarHBondContact O-N 2.84Å; E57-T61 PolarHBondContact O-OG1 2.73Å |
| 58 | K | 98.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.2 | -71.8 | 170.1 | -170.2 | 170.6 | 0 | 111.6 | P54 E55 A60 T61 D62 A113 | P54-K58 VanDerWaalsContact O-CG 3.28Å; P54-K58 WeakPolarHBondContact O-CG 3.5Å; P54-K58 PolarHBondContact O-N 3.49Å; E55-K58 PolarHBondContact O-N 3.29Å; E55-K58 IonicContact OE1-NZ 3.03Å; E55-K58 PolarHBondContact OE1-NZ 3.29Å; K58-A60 VanDerWaalsContact C-N 3.31Å; K58-A60 PolarHBondContact O-N 2.88Å; K58-T61 PolarHBondContact O-N 2.76Å; K58-D62 PolarHBondContact O-N 2.88Å; K58-A113 HydrophobicContact CB-CB 3.72Å; K58-A113 HydrophobicContact CD-CB 4.31Å |
| 59 | A | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E55 Y56 E57 D62 L63 L72 A113 I116 V117 | E55-A59 WeakPolarHBondContact O-CB 2.91Å; E55-A59 PolarHBondContact O-N 3.25Å; Y56-A59 PolarHBondContact O-N 3.37Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 2.88Å; A59-D62 PolarHBondContact O-N 3.47Å; A59-L63 VanDerWaalsContact O-CB 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.33Å; A59-L72 HydrophobicContact CB-CD2 4.22Å; A59-A113 HydrophobicContact CB-CB 4.41Å; A59-I116 HydrophobicContact CB-CB 3.91Å; A59-I116 HydrophobicContact CB-CD1 4.41Å; A59-I116 HydrophobicContact CB-CG2 3.69Å; A59-V117 HydrophobicContact CB-CG2 4.04Å |
| 60 | A | 98.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 65 Ų | 65 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D18 V19 Y56 E57 K58 D62 L63 K64 L72 | D18-A60 HydrophobicContact CB-CB 3.94Å; V19-A60 HydrophobicContact CG2-CB 3.69Å; Y56-A60 WeakPolarHBondContact O-CB 3.02Å; Y56-A60 PolarHBondContact O-N 2.77Å; E57-A60 WeakPolarHBondContact O-CB 3.3Å; E57-A60 PolarHBondContact O-N 2.83Å; E57-A60 VanDerWaalsContact O-N 3.15Å; K58-A60 VanDerWaalsContact C-N 3.31Å; K58-A60 PolarHBondContact O-N 2.88Å; A60-D62 VanDerWaalsContact C-N 3.27Å; A60-D62 PolarHBondContact O-N 3.48Å; A60-L63 PolarHBondContact O-N 2.75Å; A60-K64 VanDerWaalsContact O-CB 3.29Å; A60-K64 WeakPolarHBondContact O-CB 3.31Å; A60-K64 PolarHBondContact O-N 3.06Å; A60-L72 VanDerWaalsContact CA-CD1 3.41Å; A60-L72 HydrophobicContact CB-CB 4.12Å; A60-L72 HydrophobicContact CB-CD1 3.9Å; A60-L72 HydrophobicContact CB-CG 4.49Å |
| 61 | T | 97.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | D18 E57 K58 K65 | D18-T61 WeakPolarHBondContact OD2-CA 3.32Å; D18-T61 WeakPolarHBondContact OD2-CB 3.42Å; D18-T61 PolarHBondContact OD2-OG1 2.77Å; E57-T61 PolarHBondContact O-N 2.84Å; E57-T61 PolarHBondContact O-OG1 2.73Å; K58-T61 PolarHBondContact O-N 2.76Å; T61-K65 WeakPolarHBondContact O-CE 3.39Å |
| 62 | D | 96.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.4 | -35.8 | -179.4 | -80.4 | -12.5 | 0 | 0 | 0 | 113.8 | K58 A59 A60 K65 V117 R121 | K58-D62 PolarHBondContact O-N 2.88Å; A59-D62 PolarHBondContact O-N 3.47Å; A60-D62 VanDerWaalsContact C-N 3.27Å; A60-D62 PolarHBondContact O-N 3.48Å; D62-K65 WeakPolarHBondContact O-CB 3.28Å; D62-K65 PolarHBondContact O-N 2.91Å; D62-K65 IonicContact OD1-NZ 3.97Å; D62-K65 PolarHBondContact OD1-NZ 3.43Å; D62-V117 HydrophobicContact CB-CG2 3.91Å; D62-R121 PolarHBondContact O-NH2 2.9Å |
| 63 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.3 | -26.8 | 178.8 | -76.2 | 168.8 | 0 | 0 | 0 | 112.6 | A59 A60 K65 S66 I70 L72 I116 V117 M120 R121 | A59-L63 VanDerWaalsContact O-CB 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.33Å; A60-L63 PolarHBondContact O-N 2.75Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-S66 WeakPolarHBondContact O-CB 3.38Å; L63-S66 PolarHBondContact O-N 3.34Å; L63-S66 PolarHBondContact O-OG 3.43Å; L63-I70 HydrophobicContact CB-CB 4.21Å; L63-I70 WeakPolarHBondContact CB-O 3.15Å; L63-I70 HydrophobicContact CD2-CB 4.21Å; L63-I70 HydrophobicContact CD2-CD1 3.95Å; L63-I70 PolarHBondContact O-N 3.26Å; L63-L72 HydrophobicContact CB-CD1 3.9Å; L63-L72 HydrophobicContact CD1-CD1 3.4Å; L63-L72 HydrophobicContact CD1-CD2 4.33Å; L63-L72 HydrophobicContact CD1-CG 4.3Å; L63-L72 HydrophobicContact CG-CD1 4.23Å; L63-I116 HydrophobicContact CD1-CG2 4.32Å; L63-V117 HydrophobicContact CD1-CG2 4.42Å; L63-V117 HydrophobicContact CD2-CB 4.45Å; L63-V117 HydrophobicContact CD2-CG1 4.15Å; L63-V117 HydrophobicContact CG-CB 4.42Å; L63-V117 HydrophobicContact CG-CG1 4.47Å; L63-V117 HydrophobicContact CG-CG2 4.04Å; L63-M120 HydrophobicContact CD1-CB 3.73Å; L63-M120 HydrophobicContact CD1-CG 3.97Å; L63-M120 HydrophobicContact CD2-CB 3.98Å; L63-R121 HydrophobicContact CD2-CG 3.84Å |
| 64 | K | 94.5 | Very high | 95.3 | Very high | 120 Ų | 120 | 51.3 Ų | 51.3 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.1 | 170.4 | -170.3 | 170 | 179.4 | 172.2 | 0 | 113.7 | D18 A60 S66 | D18-K64 WeakPolarHBondContact OD1-CD 3.38Å; D18-K64 IonicContact OD1-NZ 2.8Å; D18-K64 PolarHBondContact OD1-NZ 3.32Å; A60-K64 VanDerWaalsContact O-CB 3.29Å; A60-K64 WeakPolarHBondContact O-CB 3.31Å; A60-K64 PolarHBondContact O-N 3.06Å; K64-S66 VanDerWaalsContact C-N 3.32Å |
| 65 | K | 92.9 | Very high | 95.3 | Very high | 138 Ų | 138 | 48.1 Ų | 48.1 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -4.2 | 175.5 | -56.2 | 165.2 | -167.8 | 159.3 | 0 | 113.1 | T61 D62 L63 | T61-K65 WeakPolarHBondContact O-CE 3.39Å; D62-K65 WeakPolarHBondContact O-CB 3.28Å; D62-K65 PolarHBondContact O-N 2.91Å; D62-K65 IonicContact OD1-NZ 3.97Å; D62-K65 PolarHBondContact OD1-NZ 3.43Å; L63-K65 PolarHBondContact O-N 3.24Å |
| 66 | S | 88.4 | Confident | 95.2 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -75 | 156.4 | 177.4 | -48.3 | 0 | 0 | 0 | 0 | 110.3 | L63 K64 P68 S69 R121 | L63-S66 WeakPolarHBondContact O-CB 3.38Å; L63-S66 PolarHBondContact O-N 3.34Å; L63-S66 PolarHBondContact O-OG 3.43Å; K64-S66 VanDerWaalsContact C-N 3.32Å; S66-P68 VanDerWaalsContact C-C 3.42Å; S66-P68 CarbonylContact C-O 3.52Å; S66-P68 WeakPolarHBondContact CB-O 3.27Å; S66-P68 CarbonylContact O-C 3.59Å; S66-S69 VanDerWaalsContact O-CA 3.3Å; S66-S69 WeakPolarHBondContact O-CA 3.38Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-R121 PolarHBondContact OG-NE 3.22Å |
| 67 | E | 83.8 | Confident | 95.2 | Very high | 182 Ų | 182 | 46.5 Ų | 46.5 | 85% | 0.85 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -119 | 111.7 | 175.9 | -70.8 | -175.3 | -166.3 | 0 | 0 | 111.1 | H124 | E67-H124 PolarHBondContact O-NE2 3.17Š|
| 68 | P | 85.6 | Confident | 95 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | S | Bend | cis | -63 | 163.3 | -13.5 | 23 | -32 | 0 | 0 | 0 | 113.9 | S66 H124 | S66-P68 VanDerWaalsContact C-C 3.42Å; S66-P68 CarbonylContact C-O 3.52Å; S66-P68 WeakPolarHBondContact CB-O 3.27Å; S66-P68 CarbonylContact O-C 3.59Å; P68-H124 WeakPolarHBondContact CD-CE1 3.37Å; P68-H124 WeakPolarHBondContact CD-NE2 3.12Å; P68-H124 PolarHBondContact O-CE1 3.44Å; P68-H124 VanDerWaalsContact O-CE1 3.24Å |
| 69 | S | 90.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 42% | 0.42 | 25% | 0.252 | S | S | . | . | trans | -61.1 | 139.7 | 176.8 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | S66 P71 | S66-S69 VanDerWaalsContact O-CA 3.3Å; S66-S69 WeakPolarHBondContact O-CA 3.38Å; S66-S69 PolarHBondContact O-N 3.39Å; S69-P71 WeakPolarHBondContact O-CD 3.47Å | ||
| 70 | I | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | trans | -111 | 94.4 | 176.3 | -53 | 164.6 | 0 | 0 | 0 | 108.1 | L36 L63 M120 R121 H124 | L36-I70 HydrophobicContact CD2-CD1 4.34Å; L36-I70 HydrophobicContact CD2-CG1 4.38Å; L36-I70 HydrophobicContact CD2-CG2 3.97Å; L36-I70 HydrophobicContact CG-CG2 4.06Å; L63-I70 HydrophobicContact CB-CB 4.21Å; L63-I70 WeakPolarHBondContact CB-O 3.15Å; L63-I70 HydrophobicContact CD2-CB 4.21Å; L63-I70 HydrophobicContact CD2-CD1 3.95Å; L63-I70 PolarHBondContact O-N 3.26Å; I70-M120 HydrophobicContact CG2-CB 4.09Å; I70-M120 HydrophobicContact CG2-CE 3.75Å; I70-R121 HydrophobicContact CD1-CG 4.24Å; I70-H124 HydrophobicContact CD1-CB 4.01Å | ||
| 71 | P | 96.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -66.6 | 157.9 | -178.2 | 25.2 | -33.4 | 0 | 0 | 0 | 112.5 | L20 H34 L36 I37 L38 S69 | L20-P71 HydrophobicContact CD1-CB 3.87Å; H34-P71 HydrophobicContact CB-CG 3.87Å; H34-P71 VanDerWaalsContact CG-CG 3.49Å; L36-P71 WeakPolarHBondContact O-CD 3.36Å; I37-P71 HydrophobicContact CB-CG 4.03Å; I37-P71 HydrophobicContact CD1-CB 4.08Å; I37-P71 HydrophobicContact CD1-CG 3.89Å; I37-P71 HydrophobicContact CG1-CB 4.3Å; I37-P71 HydrophobicContact CG1-CG 4Å; I37-P71 WeakPolarHBondContact CG1-O 3.42Å; L38-P71 PolarHBondContact N-O 3Å; S69-P71 WeakPolarHBondContact O-CD 3.47Å | ||
| 72 | L | 98.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140 | 166.3 | -66.5 | 87.6 | 0 | 0 | 0 | 108 | V19 L20 L38 Y56 A59 A60 L63 I116 | V19-L72 WeakPolarHBondContact CA-O 3.27Å; L20-L72 PolarHBondContact N-O 3.33Å; L38-L72 HydrophobicContact CB-CD2 4.26Å; L38-L72 HydrophobicContact CB-CG 4.15Å; L38-L72 HydrophobicContact CD2-CD2 3.96Å; L38-L72 CarbonylContact O-C 3.53Å; L38-L72 WeakPolarHBondContact O-CA 3.27Å; Y56-L72 HydrophobicContact CD1-CB 4.42Å; Y56-L72 HydrophobicContact CD1-CD2 4.42Å; Y56-L72 HydrophobicContact CD2-CD2 3.94Å; Y56-L72 HydrophobicContact CE1-CB 3.7Å; Y56-L72 HydrophobicContact CE1-CD2 4.05Å; Y56-L72 HydrophobicContact CE1-CG 4.49Å; Y56-L72 HydrophobicContact CE2-CD2 3.51Å; Y56-L72 HydrophobicContact CG-CD2 4.37Å; A59-L72 HydrophobicContact CB-CD2 4.22Å; A60-L72 VanDerWaalsContact CA-CD1 3.41Å; A60-L72 HydrophobicContact CB-CB 4.12Å; A60-L72 HydrophobicContact CB-CD1 3.9Å; A60-L72 HydrophobicContact CB-CG 4.49Å; L63-L72 HydrophobicContact CB-CD1 3.9Å; L63-L72 HydrophobicContact CD1-CD1 3.4Å; L63-L72 HydrophobicContact CD1-CD2 4.33Å; L63-L72 HydrophobicContact CD1-CG 4.3Å; L63-L72 HydrophobicContact CG-CD1 4.23Å; L72-I116 HydrophobicContact CD2-CG2 3.77Å |
| 73 | A | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 160.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | L20 F22 I37 L38 V39 E40 Y56 | L20-A73 HydrophobicContact CB-CB 3.89Å; L20-A73 CarbonylContact O-C 3.51Å; L20-A73 WeakPolarHBondContact O-CA 3.27Å; F22-A73 HydrophobicContact CD2-CB 3.67Å; F22-A73 HydrophobicContact CE2-CB 3.53Å; F22-A73 HydrophobicContact CG-CB 4.25Å; F22-A73 HydrophobicContact CZ-CB 3.99Å; I37-A73 HydrophobicContact CD1-CB 3.94Å; L38-A73 PolarHBondContact O-N 2.89Å; V39-A73 CarbonylContact C-O 3.48Å; V39-A73 WeakPolarHBondContact CA-O 3.4Å; V39-A73 HydrophobicContact CG2-CB 4.32Å; E40-A73 PolarHBondContact N-O 3.13Å; Y56-A73 WeakPolarHBondContact CE1-O 3.29Å; Y56-A73 PolarHBondContact OH-O 3.33Å; Y56-A73 VanDerWaalsContact OH-O 3.1Å |
| 74 | K | 98 | Very high | 94 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.3 | 173.5 | 69.3 | -170 | 176.7 | -165.2 | 0 | 111 | V19 L20 E21 F22 E40 F42 | V19-K74 HydrophobicContact CG1-CB 4.01Å; V19-K74 HydrophobicContact CG1-CD 3.91Å; V19-K74 HydrophobicContact CG1-CG 3.96Å; L20-K74 PolarHBondContact O-N 3.35Å; E21-K74 WeakPolarHBondContact CA-O 3.23Å; E21-K74 HydrophobicContact CB-CG 4.5Å; E21-K74 HydrophobicContact CG-CG 4.46Å; F22-K74 PolarHBondContact N-O 3.24Å; E40-K74 HydrophobicContact CB-CB 4.34Å; E40-K74 CarbonylContact O-C 3.49Å; E40-K74 VanDerWaalsContact O-CA 3.25Å; E40-K74 WeakPolarHBondContact O-CA 3.34Å; F42-K74 HydrophobicContact CD1-CB 4Å; F42-K74 HydrophobicContact CE1-CB 3.87Å; F42-K74 HydrophobicContact CE1-CD 4.06Å; F42-K74 HydrophobicContact CE1-CG 3.89Å; F42-K74 HydrophobicContact CZ-CD 4.47Å |
| 75 | I | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.4 | 177 | -65.8 | 170.9 | 0 | 0 | 0 | 107.9 | F22 F27 V39 E40 F41 F42 C77 Q80 L83 | F22-I75 HydrophobicContact CB-CD1 4.38Å; F22-I75 HydrophobicContact CB-CG1 3.98Å; F27-I75 HydrophobicContact CD2-CD1 3.67Å; F27-I75 HydrophobicContact CE2-CD1 3.74Å; V39-I75 HydrophobicContact CG1-CD1 3.58Å; V39-I75 HydrophobicContact CG1-CG1 3.95Å; E40-I75 PolarHBondContact O-N 3.25Å; F41-I75 HydrophobicContact CD1-CB 4.13Å; F41-I75 HydrophobicContact CD1-CD1 4.18Å; F41-I75 HydrophobicContact CD1-CG2 4.24Å; F41-I75 HydrophobicContact CE1-CB 4.38Å; F41-I75 HydrophobicContact CE1-CD1 3.57Å; F41-I75 HydrophobicContact CE1-CG2 4.45Å; F41-I75 HydrophobicContact CZ-CD1 3.91Å; F42-I75 WeakPolarHBondContact CD1-O 3.38Å; F42-I75 PolarHBondContact N-O 2.83Å; I75-C77 PolarHBondContact O-N 3.41Å; I75-Q80 HydrophobicContact CG2-CB 3.6Å; I75-Q80 HydrophobicContact CG2-CG 3.96Å; I75-L83 HydrophobicContact CD1-CD1 4.2Å; I75-L83 HydrophobicContact CG2-CD1 4.36Å |
| 76 | N | 97.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 110.4 | 171.4 | -179.5 | 3 | 0 | 0 | 0 | 109.8 | F42 P44 E78 D79 Q80 | F42-N76 HydrophobicContact CE1-CB 3.97Å; F42-N76 HydrophobicContact CE2-CB 4.47Å; F42-N76 HydrophobicContact CZ-CB 3.81Å; P44-N76 WeakPolarHBondContact CD-OD1 3.3Å; N76-E78 VanDerWaalsContact C-N 3.28Å; N76-E78 PolarHBondContact O-N 2.8Å; N76-E78 WeakPolarHBondContact OD1-CB 3.29Å; N76-E78 PolarHBondContact OD1-N 2.73Å; N76-D79 HydrophobicContact CB-CB 4.46Å; N76-D79 VanDerWaalsContact ND2-CG 3.31Å; N76-D79 PolarHBondContact ND2-OD2 2.84Å; N76-D79 PolarHBondContact O-N 3.37Å; N76-Q80 VanDerWaalsContact O-CB 3.23Å; N76-Q80 WeakPolarHBondContact O-CB 3.38Å; N76-Q80 WeakPolarHBondContact O-CG 3.12Å; N76-Q80 PolarHBondContact O-N 2.81Å |
| 77 | C | 96.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.2 | -178.8 | -69.1 | 0 | 0 | 0 | 0 | 115.2 | F42 I75 S81 C84 Y92 | F42-C77 WeakPolarHBondContact O-CB 3.47Å; F42-C77 PolarHBondContact O-N 3Å; I75-C77 PolarHBondContact O-N 3.41Å; C77-S81 WeakPolarHBondContact O-CA 3.14Å; C77-S81 PolarHBondContact O-N 3Å; C77-C84 WeakPolarHBondContact CA-SG 3.34Å; C77-C84 HydrophobicContact CB-CB 3.73Å; C77-C84 WeakPolarHBondContact CB-SG 3.19Å; C77-C84 WeakPolarHBondContact SG-CB 3.42Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 3.5Å; C77-Y92 HydrophobicContact CB-CE1 3.55Å; C77-Y92 VanDerWaalsContact CB-OH 3.26Å; C77-Y92 WeakPolarHBondContact CB-OH 3.46Å; C77-Y92 VanDerWaalsContact SG-CE1 3.53Å |
| 78 | E | 93.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -41.8 | 169.5 | -63.7 | -162.1 | 127.3 | 0 | 0 | 111 | A43 P44 W45 N76 | A43-E78 HydrophobicContact CB-CG 4.41Å; P44-E78 VanDerWaalsContact CD-OE2 3.31Å; P44-E78 WeakPolarHBondContact CD-OE2 3.33Å; P44-E78 WeakPolarHBondContact CG-OE2 3.16Å; W45-E78 PolarHBondContact NE1-OE1 3.46Å; N76-E78 VanDerWaalsContact C-N 3.28Å; N76-E78 PolarHBondContact O-N 2.8Å; N76-E78 WeakPolarHBondContact OD1-CB 3.29Å; N76-E78 PolarHBondContact OD1-N 2.73Å |
| 79 | D | 94.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 59% | 0.594 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -29.9 | -179.6 | -59.1 | -29.7 | 0 | 0 | 0 | 111.8 | N76 | N76-D79 HydrophobicContact CB-CB 4.46Å; N76-D79 VanDerWaalsContact ND2-CG 3.31Å; N76-D79 PolarHBondContact ND2-OD2 2.84Å; N76-D79 PolarHBondContact O-N 3.37Å |
| 80 | Q | 94.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | trans | -116.2 | 41.8 | -170.9 | -51 | -56 | -36.4 | 0 | 0 | 112.6 | I75 N76 V82 L83 C84 | I75-Q80 HydrophobicContact CG2-CB 3.6Å; I75-Q80 HydrophobicContact CG2-CG 3.96Å; N76-Q80 VanDerWaalsContact O-CB 3.23Å; N76-Q80 WeakPolarHBondContact O-CB 3.38Å; N76-Q80 WeakPolarHBondContact O-CG 3.12Å; N76-Q80 PolarHBondContact O-N 2.81Å; Q80-V82 PolarHBondContact O-N 2.94Å; Q80-V82 VanDerWaalsContact O-N 3.1Å; Q80-L83 HydrophobicContact CB-CB 4.4Å; Q80-L83 HydrophobicContact CB-CD1 4.31Å; Q80-L83 PolarHBondContact O-N 3.26Å; Q80-C84 PolarHBondContact O-N 2.79Å; Q80-C84 VanDerWaalsContact O-N 3.16Å; Q80-C84 PolarHBondContact O-SG 2.99Å | ||
| 81 | S | 92.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.2 | -33.1 | -175 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | C77 C84 T85 | C77-S81 WeakPolarHBondContact O-CA 3.14Å; C77-S81 PolarHBondContact O-N 3Å; S81-C84 PolarHBondContact O-N 3.25Å; S81-T85 WeakPolarHBondContact O-CB 3.47Å; S81-T85 PolarHBondContact O-N 2.88Å; S81-T85 PolarHBondContact O-OG1 3.08Å |
| 82 | V | 94.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 58.2 Ų | 58.2 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64 | -47 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | Q80 T85 K86 | Q80-V82 PolarHBondContact O-N 2.94Å; Q80-V82 VanDerWaalsContact O-N 3.1Å; V82-T85 PolarHBondContact O-N 2.86Å; V82-K86 WeakPolarHBondContact O-CB 2.98Å; V82-K86 PolarHBondContact O-N 2.93Å |
| 83 | L | 93.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.3 | -74.6 | 178.6 | 0 | 0 | 0 | 111 | V24 F27 I75 Q80 T85 K86 F87 | V24-L83 HydrophobicContact CB-CD1 4.28Å; V24-L83 HydrophobicContact CB-CG 4.16Å; V24-L83 HydrophobicContact CG2-CD2 4.46Å; V24-L83 HydrophobicContact CG2-CG 4.22Å; F27-L83 HydrophobicContact CB-CD1 3.86Å; F27-L83 HydrophobicContact CB-CD2 4.08Å; F27-L83 HydrophobicContact CD1-CD2 4.03Å; F27-L83 HydrophobicContact CD2-CD1 4.31Å; F27-L83 HydrophobicContact CG-CD1 4.12Å; F27-L83 HydrophobicContact CG-CD2 3.98Å; I75-L83 HydrophobicContact CD1-CD1 4.2Å; I75-L83 HydrophobicContact CG2-CD1 4.36Å; Q80-L83 HydrophobicContact CB-CB 4.4Å; Q80-L83 HydrophobicContact CB-CD1 4.31Å; Q80-L83 PolarHBondContact O-N 3.26Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.78Å; L83-K86 HydrophobicContact CD2-CD 4.46Å; L83-K86 WeakPolarHBondContact O-CB 3.48Å; L83-K86 PolarHBondContact O-N 2.9Å; L83-F87 HydrophobicContact CD2-CE2 4.46Å; L83-F87 WeakPolarHBondContact O-CD2 3.01Å; L83-F87 PolarHBondContact O-N 3.43Å; L83-F87 VanDerWaalsContact O-N 3.09Å |
| 84 | C | 95.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | -178.6 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | F41 C77 Q80 S81 E88 V89 | F41-C84 HydrophobicContact CD1-CB 4.47Å; C77-C84 WeakPolarHBondContact CA-SG 3.34Å; C77-C84 HydrophobicContact CB-CB 3.73Å; C77-C84 WeakPolarHBondContact CB-SG 3.19Å; C77-C84 WeakPolarHBondContact SG-CB 3.42Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 3.5Å; Q80-C84 PolarHBondContact O-N 2.79Å; Q80-C84 VanDerWaalsContact O-N 3.16Å; Q80-C84 PolarHBondContact O-SG 2.99Å; S81-C84 PolarHBondContact O-N 3.25Å; C84-E88 PolarHBondContact O-N 2.86Å; C84-V89 HydrophobicContact CB-CB 4.17Å; C84-V89 HydrophobicContact CB-CG2 4.27Å; C84-V89 WeakPolarHBondContact O-CB 3.03Å; C84-V89 WeakPolarHBondContact O-CG2 3.43Å; C84-V89 PolarHBondContact O-N 2.63Å |
| 85 | T | 95.9 | Very high | 95.6 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.8 | -43.8 | 171.3 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | S81 V82 L83 F87 E88 | S81-T85 WeakPolarHBondContact O-CB 3.47Å; S81-T85 PolarHBondContact O-N 2.88Å; S81-T85 PolarHBondContact O-OG1 3.08Å; V82-T85 PolarHBondContact O-N 2.86Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 2.78Å; T85-F87 PolarHBondContact O-N 2.82Å; T85-E88 PolarHBondContact O-N 2.88Å |
| 86 | K | 95.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 58.1 Ų | 58.1 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54 | -37.8 | 176.4 | 176.4 | -176.3 | 176.3 | -178 | 0 | 112.1 | D28 V82 L83 | D28-K86 IonicContact OD1-NZ 4Å; D28-K86 PolarHBondContact OD1-NZ 3.16Å; D28-K86 IonicContact OD2-NZ 3.88Å; V82-K86 WeakPolarHBondContact O-CB 2.98Å; V82-K86 PolarHBondContact O-N 2.93Å; L83-K86 HydrophobicContact CD2-CD 4.46Å; L83-K86 WeakPolarHBondContact O-CB 3.48Å; L83-K86 PolarHBondContact O-N 2.9Å |
| 87 | F | 95.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 14.7 | 179.4 | -65.8 | -65.6 | 0 | 0 | 0 | 114.3 | F27 F41 L83 T85 V89 K96 F98 M103 | F27-F87 HydrophobicContact CD1-CE2 4.33Å; F27-F87 HydrophobicContact CD1-CZ 4.46Å; F27-F87 AromaticContact CE1-CE2 3.58Å; F27-F87 HydrophobicContact CE1-CE2 3.58Å; F27-F87 AromaticContact CE1-CZ 3.43Å; F27-F87 HydrophobicContact CE1-CZ 3.43Å; F27-F87 VanDerWaalsContact CE1-CZ 3.43Å; F27-F87 HydrophobicContact CE2-CE2 4.15Å; F27-F87 AromaticContact CZ-CE2 3.46Å; F27-F87 HydrophobicContact CZ-CE2 3.46Å; F27-F87 VanDerWaalsContact CZ-CE2 3.46Å; F27-F87 AromaticContact CZ-CZ 3.45Å; F27-F87 HydrophobicContact CZ-CZ 3.45Å; F27-F87 VanDerWaalsContact CZ-CZ 3.45Å; F41-F87 HydrophobicContact CE1-CB 4.24Å; F41-F87 AromaticContact CE1-CD2 3.68Å; F41-F87 HydrophobicContact CE1-CD2 3.68Å; F41-F87 HydrophobicContact CE1-CG 4.3Å; F41-F87 HydrophobicContact CZ-CB 4Å; F41-F87 AromaticContact CZ-CD2 3.49Å; F41-F87 HydrophobicContact CZ-CD2 3.49Å; F41-F87 VanDerWaalsContact CZ-CD2 3.49Å; F41-F87 HydrophobicContact CZ-CE2 4.21Å; F41-F87 AromaticContact CZ-CG 3.88Å; F41-F87 HydrophobicContact CZ-CG 3.88Å; L83-F87 HydrophobicContact CD2-CE2 4.46Å; L83-F87 WeakPolarHBondContact O-CD2 3.01Å; L83-F87 PolarHBondContact O-N 3.43Å; L83-F87 VanDerWaalsContact O-N 3.09Å; T85-F87 PolarHBondContact O-N 2.82Å; F87-V89 VanDerWaalsContact C-N 3.3Å; F87-V89 HydrophobicContact CB-CG2 4.41Å; F87-V89 PolarHBondContact O-N 2.98Å; F87-K96 HydrophobicContact CB-CD 3.92Å; F87-K96 HydrophobicContact CG-CD 4.49Å; F87-K96 WeakPolarHBondContact O-CE 3.17Å; F87-K96 PolarHBondContact O-NZ 2.82Å; F87-F98 HydrophobicContact CD1-CE1 4.27Å; F87-F98 AromaticContact CD1-CZ 3.98Å; F87-F98 HydrophobicContact CD1-CZ 3.98Å; F87-F98 HydrophobicContact CD2-CZ 4.49Å; F87-F98 AromaticContact CE1-CE1 3.49Å; F87-F98 HydrophobicContact CE1-CE1 3.49Å; F87-F98 VanDerWaalsContact CE1-CE1 3.49Å; F87-F98 AromaticContact CE1-CZ 3.6Å; F87-F98 HydrophobicContact CE1-CZ 3.6Å; F87-F98 HydrophobicContact CE2-CE1 4.43Å; F87-F98 HydrophobicContact CE2-CZ 4.14Å; F87-F98 HydrophobicContact CG-CZ 4.42Å; F87-F98 AromaticContact CZ-CE1 3.59Å; F87-F98 HydrophobicContact CZ-CE1 3.59Å; F87-F98 AromaticContact CZ-CZ 3.7Å; F87-F98 HydrophobicContact CZ-CZ 3.7Å; F87-M103 HydrophobicContact CE1-CB 4.27Å |
| 88 | E | 95.5 | Very high | 95.4 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.6 | 177.5 | -54.7 | -168.7 | -179.9 | 0 | 0 | 114.3 | C84 T85 R90 | C84-E88 PolarHBondContact O-N 2.86Å; T85-E88 PolarHBondContact O-N 2.88Å; E88-R90 PolarHBondContact O-N 3.14Å; E88-R90 IonicContact OE2-NH2 2.96Å |
| 89 | V | 96.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | trans | -72.4 | 113.3 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | F41 C84 F87 G91 Y92 T94 | F41-V89 HydrophobicContact CB-CG1 4.09Å; F41-V89 HydrophobicContact CB-CG2 3.76Å; F41-V89 HydrophobicContact CD1-CG2 3.74Å; F41-V89 HydrophobicContact CD2-CG2 4.16Å; F41-V89 HydrophobicContact CE1-CG2 4.36Å; F41-V89 HydrophobicContact CG-CG2 3.61Å; C84-V89 HydrophobicContact CB-CB 4.17Å; C84-V89 HydrophobicContact CB-CG2 4.27Å; C84-V89 WeakPolarHBondContact O-CB 3.03Å; C84-V89 WeakPolarHBondContact O-CG2 3.43Å; C84-V89 PolarHBondContact O-N 2.63Å; F87-V89 VanDerWaalsContact C-N 3.3Å; F87-V89 HydrophobicContact CB-CG2 4.41Å; F87-V89 PolarHBondContact O-N 2.98Å; V89-G91 WeakPolarHBondContact CG1-O 3.39Å; V89-Y92 HydrophobicContact CG1-CD1 3.95Å; V89-Y92 HydrophobicContact CG1-CE1 3.54Å; V89-T94 HydrophobicContact CG2-CG2 4.33Å | ||
| 90 | R | 93.8 | Very high | 94.9 | Very high | 222 Ų | 222 | 56.1 Ų | 56.1 | 84% | 0.838 | 28% | 0.278 | S | S | * | . | trans | -103 | -6.3 | -177.8 | -59.1 | -178.8 | -167.9 | -177.4 | 4.3 | 114.3 | E88 | E88-R90 PolarHBondContact O-N 3.14Å; E88-R90 IonicContact OE2-NH2 2.96Å | ||
| 91 | G | 94.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -169.6 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 T94 | V89-G91 WeakPolarHBondContact CG1-O 3.39Å; G91-T94 PolarHBondContact O-OG1 2.98Å |
| 92 | Y | 96.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -129.8 | 142.2 | -172.7 | -52.8 | -62.2 | 0 | 0 | 0 | 113.1 | A43 W45 C46 C77 V89 | A43-Y92 HydrophobicContact CB-CD2 3.72Å; A43-Y92 HydrophobicContact CB-CE2 3.91Å; A43-Y92 HydrophobicContact CB-CG 4.12Å; W45-Y92 HydrophobicContact CH2-CD2 4.28Å; W45-Y92 HydrophobicContact CZ2-CD2 4.34Å; W45-Y92 HydrophobicContact CZ2-CE2 4.3Å; C46-Y92 PolarHBondContact SG-O 3.42Å; C77-Y92 HydrophobicContact CB-CE1 3.55Å; C77-Y92 VanDerWaalsContact CB-OH 3.26Å; C77-Y92 WeakPolarHBondContact CB-OH 3.46Å; C77-Y92 VanDerWaalsContact SG-CE1 3.53Å; V89-Y92 HydrophobicContact CG1-CD1 3.95Å; V89-Y92 HydrophobicContact CG1-CE1 3.54Å |
| 93 | P | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | S | Bend | cis | -73.2 | 144.9 | -11.5 | 29.8 | -32.8 | 0 | 0 | 0 | 110.9 | E40 F41 L52 L95 R111 | E40-P93 HydrophobicContact CG-CB 4.08Å; E40-P93 WeakPolarHBondContact OE1-CB 3.31Å; F41-P93 WeakPolarHBondContact O-CA 3.5Å; L52-P93 HydrophobicContact CD2-CB 3.88Å; L52-P93 HydrophobicContact CD2-CG 3.68Å; P93-L95 HydrophobicContact CB-CD1 3.97Å; P93-L95 HydrophobicContact CG-CD1 4.29Å; P93-R111 PolarHBondContact O-NH2 3.37Å |
| 94 | T | 97.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.172 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.8 | 165.3 | -67.8 | 0 | 0 | 0 | 0 | 107.7 | F41 V89 G91 K96 | F41-T94 WeakPolarHBondContact CB-O 3.42Å; F41-T94 PolarHBondContact N-O 3.09Å; F41-T94 PolarHBondContact O-N 3.4Å; V89-T94 HydrophobicContact CG2-CG2 4.33Å; G91-T94 PolarHBondContact O-OG1 2.98Å; T94-K96 HydrophobicContact CG2-CG 4.2Å |
| 95 | L | 98.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.4 | -179.3 | -71.5 | 82.2 | 0 | 0 | 0 | 108.4 | L38 V39 E40 L52 Y56 P93 Y107 | L38-L95 HydrophobicContact CD1-CB 4.21Å; L38-L95 HydrophobicContact CD2-CD2 4.07Å; L38-L95 HydrophobicContact CG-CD2 4.41Å; V39-L95 WeakPolarHBondContact O-CA 3.39Å; E40-L95 HydrophobicContact CB-CG 4.48Å; E40-L95 HydrophobicContact CG-CG 4.45Å; L52-L95 HydrophobicContact CD2-CD1 3.8Å; L52-L95 HydrophobicContact CD2-CD2 4.25Å; L52-L95 HydrophobicContact CD2-CG 4.44Å; Y56-L95 HydrophobicContact CD2-CD2 4.28Å; Y56-L95 HydrophobicContact CE2-CD2 3.73Å; P93-L95 HydrophobicContact CB-CD1 3.97Å; P93-L95 HydrophobicContact CG-CD1 4.29Å; L95-Y107 HydrophobicContact CB-CD1 4.03Å; L95-Y107 HydrophobicContact CB-CG 4.02Å; L95-Y107 HydrophobicContact CD2-CD1 3.95Å; L95-Y107 HydrophobicContact CD2-CE1 4.35Å; L95-Y107 HydrophobicContact CD2-CG 4.34Å; L95-Y107 WeakPolarHBondContact O-CB 3.31Å; L95-Y107 PolarHBondContact O-N 2.83Å |
| 96 | K | 97.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.3 | -180 | -60.7 | -178.1 | -178 | -86.5 | 0 | 110.9 | V39 F41 F87 T94 F98 M103 D106 | V39-K96 PolarHBondContact N-O 3.13Å; V39-K96 PolarHBondContact O-N 3.27Å; F41-K96 HydrophobicContact CD2-CD 4.31Å; F41-K96 HydrophobicContact CD2-CG 4.32Å; F41-K96 HydrophobicContact CE2-CB 4.05Å; F41-K96 HydrophobicContact CE2-CD 3.79Å; F41-K96 HydrophobicContact CE2-CG 3.99Å; F41-K96 HydrophobicContact CZ-CD 4.42Å; F87-K96 HydrophobicContact CB-CD 3.92Å; F87-K96 HydrophobicContact CG-CD 4.49Å; F87-K96 WeakPolarHBondContact O-CE 3.17Å; F87-K96 PolarHBondContact O-NZ 2.82Å; T94-K96 HydrophobicContact CG2-CG 4.2Å; K96-F98 HydrophobicContact CB-CD2 4.47Å; K96-F98 HydrophobicContact CB-CE2 3.79Å; K96-F98 HydrophobicContact CB-CZ 4.44Å; K96-M103 HydrophobicContact CB-CE 4.41Å; K96-M103 HydrophobicContact CB-CG 4.35Å; K96-M103 HydrophobicContact CD-CE 3.86Å; K96-M103 HydrophobicContact CD-CG 4.38Å; K96-M103 HydrophobicContact CG-CE 4.13Å; K96-D106 WeakPolarHBondContact CG-OD1 3.21Å; K96-D106 IonicContact NZ-OD1 2.9Å; K96-D106 PolarHBondContact NZ-OD1 2.73Å |
| 97 | V | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.3 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | L36 L38 V104 S105 Y119 M120 L123 | L36-V97 HydrophobicContact CD1-CG1 3.79Å; L38-V97 HydrophobicContact CD1-CG2 3.98Å; V97-V104 HydrophobicContact CB-CG2 3.88Å; V97-V104 HydrophobicContact CG1-CG2 3.52Å; V97-V104 WeakPolarHBondContact O-CG2 3.1Å; V97-V104 PolarHBondContact O-N 3.14Å; V97-S105 PolarHBondContact N-O 3.17Å; V97-Y119 HydrophobicContact CG2-CE1 3.99Å; V97-M120 HydrophobicContact CG1-CE 4.46Å; V97-M120 HydrophobicContact CG2-SD 4.36Å; V97-L123 HydrophobicContact CB-CD1 4.42Å; V97-L123 HydrophobicContact CG1-CD1 3.62Å; V97-L123 HydrophobicContact CG2-CD1 3.96Å |
| 98 | F | 94.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.1 | 172.1 | -65.6 | -104.1 | 0 | 0 | 0 | 110.4 | F27 I31 L36 I37 V39 F41 F87 K96 E102 M103 | F27-F98 HydrophobicContact CE1-CE1 4.4Å; F27-F98 HydrophobicContact CE2-CZ 4.41Å; F27-F98 HydrophobicContact CZ-CD1 4.34Å; F27-F98 AromaticContact CZ-CE1 3.66Å; F27-F98 HydrophobicContact CZ-CE1 3.66Å; F27-F98 HydrophobicContact CZ-CE2 4.5Å; F27-F98 AromaticContact CZ-CZ 3.76Å; F27-F98 HydrophobicContact CZ-CZ 3.76Å; I31-F98 HydrophobicContact CD1-CB 3.84Å; I31-F98 HydrophobicContact CD1-CD1 4.01Å; I31-F98 HydrophobicContact CD1-CD2 4.04Å; I31-F98 HydrophobicContact CD1-CG 3.7Å; I31-F98 HydrophobicContact CG1-CB 3.93Å; I31-F98 HydrophobicContact CG1-CD1 3.76Å; I31-F98 HydrophobicContact CG1-CE1 4.45Å; I31-F98 HydrophobicContact CG1-CG 3.89Å; L36-F98 WeakPolarHBondContact CA-O 3.41Å; I37-F98 HydrophobicContact CG2-CB 3.67Å; I37-F98 PolarHBondContact N-O 3.33Å; I37-F98 PolarHBondContact O-N 3.18Å; V39-F98 HydrophobicContact CB-CD2 4.1Å; V39-F98 HydrophobicContact CB-CE2 3.81Å; V39-F98 HydrophobicContact CG2-CD2 3.5Å; V39-F98 VanDerWaalsContact CG2-CD2 3.5Å; V39-F98 HydrophobicContact CG2-CE2 3.63Å; V39-F98 HydrophobicContact CG2-CG 4.48Å; F41-F98 HydrophobicContact CE2-CE2 4.4Å; F41-F98 HydrophobicContact CZ-CZ 4.42Å; F87-F98 HydrophobicContact CD1-CE1 4.27Å; F87-F98 AromaticContact CD1-CZ 3.98Å; F87-F98 HydrophobicContact CD1-CZ 3.98Å; F87-F98 HydrophobicContact CD2-CZ 4.49Å; F87-F98 AromaticContact CE1-CE1 3.49Å; F87-F98 HydrophobicContact CE1-CE1 3.49Å; F87-F98 VanDerWaalsContact CE1-CE1 3.49Å; F87-F98 AromaticContact CE1-CZ 3.6Å; F87-F98 HydrophobicContact CE1-CZ 3.6Å; F87-F98 HydrophobicContact CE2-CE1 4.43Å; F87-F98 HydrophobicContact CE2-CZ 4.14Å; F87-F98 HydrophobicContact CG-CZ 4.42Å; F87-F98 AromaticContact CZ-CE1 3.59Å; F87-F98 HydrophobicContact CZ-CE1 3.59Å; F87-F98 AromaticContact CZ-CZ 3.7Å; F87-F98 HydrophobicContact CZ-CZ 3.7Å; K96-F98 HydrophobicContact CB-CD2 4.47Å; K96-F98 HydrophobicContact CB-CE2 3.79Å; K96-F98 HydrophobicContact CB-CZ 4.44Å; F98-E102 CarbonylContact C-O 3.58Å; F98-E102 WeakPolarHBondContact CA-O 3.36Å; F98-M103 HydrophobicContact CD1-CB 3.92Å; F98-M103 HydrophobicContact CE1-CB 3.61Å; F98-M103 HydrophobicContact CE1-CG 4.2Å; F98-M103 HydrophobicContact CZ-CB 4.09Å; F98-M103 HydrophobicContact CZ-CG 4.17Å |
| 99 | R | 88.7 | Confident | 92.9 | Very high | 52 Ų | 52 | 57 Ų | 57 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 125.9 | 175.2 | -159.5 | -172.7 | -171.8 | 175.7 | 6.1 | 109.4 | D35 G101 E102 V104 G125 D167 | D35-R99 CarbonylContact O-C 3.59Å; D35-R99 WeakPolarHBondContact O-CA 3.08Å; D35-R99 WeakPolarHBondContact O-CG 3.37Å; R99-G101 PolarHBondContact O-N 2.58Å; R99-G101 VanDerWaalsContact O-N 3.13Å; R99-E102 PolarHBondContact N-O 3.16Å; R99-E102 PolarHBondContact O-N 2.77Å; R99-V104 HydrophobicContact CB-CG1 3.65Å; R99-V104 HydrophobicContact CB-CG2 4.28Å; R99-G125 PolarHBondContact NH2-O 3Å; R99-D167 IonicContact NH1-OD1 3.46Å; R99-D167 PolarHBondContact NH1-OD1 2.62Å |
| 100 | K | 88.1 | Confident | 92.7 | Very high | 141 Ų | 141 | 59.3 Ų | 59.3 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.5 | -179.4 | -61.1 | 179.3 | 176 | -176.1 | 0 | 112.6 | D35 E102 | D35-K100 PolarHBondContact O-N 3.2Å; K100-E102 VanDerWaalsContact C-N 3.31Å; K100-E102 PolarHBondContact O-N 2.84Å |
| 101 | G | 91 | Very high | 92.8 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -3.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | I31 R99 | I31-G101 WeakPolarHBondContact O-CA 3.49Å; I31-G101 PolarHBondContact O-N 3.47Å; R99-G101 PolarHBondContact O-N 2.58Å; R99-G101 VanDerWaalsContact O-N 3.13Å |
| 102 | E | 90.7 | Very high | 92.9 | Very high | 147 Ų | 147 | 56.4 Ų | 56.4 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.5 | 175.6 | -64.5 | -170.7 | 165.6 | 0 | 0 | 111.3 | F98 R99 K100 V104 | F98-E102 CarbonylContact C-O 3.58Å; F98-E102 WeakPolarHBondContact CA-O 3.36Å; R99-E102 PolarHBondContact N-O 3.16Å; R99-E102 PolarHBondContact O-N 2.77Å; K100-E102 VanDerWaalsContact C-N 3.31Å; K100-E102 PolarHBondContact O-N 2.84Å; E102-V104 PolarHBondContact O-N 2.91Å |
| 103 | M | 91.5 | Very high | 92.9 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.5 | 171.1 | -172.8 | -80.9 | -158.1 | 0 | 0 | 108.6 | F87 K96 F98 D106 | F87-M103 HydrophobicContact CE1-CB 4.27Å; K96-M103 HydrophobicContact CB-CE 4.41Å; K96-M103 HydrophobicContact CB-CG 4.35Å; K96-M103 HydrophobicContact CD-CE 3.86Å; K96-M103 HydrophobicContact CD-CG 4.38Å; K96-M103 HydrophobicContact CG-CE 4.13Å; F98-M103 HydrophobicContact CD1-CB 3.92Å; F98-M103 HydrophobicContact CE1-CB 3.61Å; F98-M103 HydrophobicContact CE1-CG 4.2Å; F98-M103 HydrophobicContact CZ-CB 4.09Å; F98-M103 HydrophobicContact CZ-CG 4.17Å; M103-D106 WeakPolarHBondContact CE-OD1 3.4Å |
| 104 | V | 88.2 | Confident | 92.9 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -33.2 | -176.2 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | V97 R99 E102 | V97-V104 HydrophobicContact CB-CG2 3.88Å; V97-V104 HydrophobicContact CG1-CG2 3.52Å; V97-V104 WeakPolarHBondContact O-CG2 3.1Å; V97-V104 PolarHBondContact O-N 3.14Å; R99-V104 HydrophobicContact CB-CG1 3.65Å; R99-V104 HydrophobicContact CB-CG2 4.28Å; E102-V104 PolarHBondContact O-N 2.91Å |
| 105 | S | 89.2 | Confident | 92.8 | Very high | 37 Ų | 37 | 60 Ų | 60 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 157.5 | 177.7 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | V97 | V97-S105 PolarHBondContact N-O 3.17Å |
| 106 | D | 92.9 | Very high | 92.7 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 151.1 | 156.2 | -67.5 | -40.4 | 0 | 0 | 0 | 109.4 | K96 M103 | K96-D106 WeakPolarHBondContact CG-OD1 3.21Å; K96-D106 IonicContact NZ-OD1 2.9Å; K96-D106 PolarHBondContact NZ-OD1 2.73Å; M103-D106 WeakPolarHBondContact CE-OD1 3.4Å |
| 107 | Y | 93.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | trans | -88.6 | 119.3 | 171.3 | 175.9 | -85 | 0 | 0 | 0 | 109.6 | L38 L95 G109 P110 I116 Y119 | L38-Y107 HydrophobicContact CD1-CD2 3.86Å; L38-Y107 HydrophobicContact CD1-CG 4.07Å; L38-Y107 HydrophobicContact CD2-CD2 4.06Å; L38-Y107 HydrophobicContact CD2-CE2 4.25Å; L95-Y107 HydrophobicContact CB-CD1 4.03Å; L95-Y107 HydrophobicContact CB-CG 4.02Å; L95-Y107 HydrophobicContact CD2-CD1 3.95Å; L95-Y107 HydrophobicContact CD2-CE1 4.35Å; L95-Y107 HydrophobicContact CD2-CG 4.34Å; L95-Y107 WeakPolarHBondContact O-CB 3.31Å; L95-Y107 PolarHBondContact O-N 2.83Å; Y107-G109 WeakPolarHBondContact CE1-O 3.48Å; Y107-G109 WeakPolarHBondContact OH-CA 3.12Å; Y107-P110 PolarHBondContact OH-O 2.72Å; Y107-I116 WeakPolarHBondContact OH-CA 3.47Å; Y107-Y119 AromaticContact CD2-CD1 3.53Å; Y107-Y119 HydrophobicContact CD2-CD1 3.53Å; Y107-Y119 AromaticContact CD2-CE1 3.54Å; Y107-Y119 HydrophobicContact CD2-CE1 3.54Å; Y107-Y119 HydrophobicContact CD2-CG 4.04Å; Y107-Y119 AromaticContact CE2-CD1 3.38Å; Y107-Y119 HydrophobicContact CE2-CD1 3.38Å; Y107-Y119 HydrophobicContact CE2-CD2 4.04Å; Y107-Y119 AromaticContact CE2-CE1 3.87Å; Y107-Y119 HydrophobicContact CE2-CE1 3.87Å; Y107-Y119 HydrophobicContact CE2-CE2 4.46Å; Y107-Y119 AromaticContact CE2-CG 3.46Å; Y107-Y119 HydrophobicContact CE2-CG 3.46Å; Y107-Y119 VanDerWaalsContact CE2-CG 3.46Å | ||
| 108 | D | 85.2 | Confident | 92.5 | Very high | 130 Ų | 130 | 67.1 Ų | 67.1 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | trans | -113.4 | 6.1 | -177.3 | 57.6 | -13.4 | 0 | 0 | 0 | 113.1 | Y119 | D108-Y119 VanDerWaalsContact OD1-CE2 3.27Å; D108-Y119 WeakPolarHBondContact OD1-CE2 3.44Å; D108-Y119 PolarHBondContact OD1-OH 3.3Å | ||
| 109 | G | 89.4 | Confident | 92.3 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -79.9 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y107 | Y107-G109 WeakPolarHBondContact CE1-O 3.48Å; Y107-G109 WeakPolarHBondContact OH-CA 3.12Å |
| 110 | P | 92.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | trans | -65.9 | 144.3 | 177.6 | -16.2 | 29.5 | 0 | 0 | 0 | 113.1 | Y107 D112 | Y107-P110 PolarHBondContact OH-O 2.72Å; P110-D112 VanDerWaalsContact C-N 3.34Å; P110-D112 VanDerWaalsContact CB-OD2 3.3Å; P110-D112 WeakPolarHBondContact CB-OD2 3.47Å; P110-D112 PolarHBondContact O-N 2.81Å | ||
| 111 | R | 95.8 | Very high | 92.6 | Very high | 122 Ų | 122 | 65 Ų | 65 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -93.5 | 20 | -174.3 | -69.2 | -177.8 | 179.6 | -168.7 | -9.1 | 114.5 | L52 P93 | L52-R111 HydrophobicContact CD1-CB 4.14Å; L52-R111 VanDerWaalsContact CD1-O 3.31Å; L52-R111 WeakPolarHBondContact CD1-O 3.49Å; P93-R111 PolarHBondContact O-NH2 3.37Å |
| 112 | D | 96.9 | Very high | 92.2 | Very high | 69 Ų | 69 | 67 Ų | 67 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -101.6 | 161.8 | 170.4 | 61.1 | 86.6 | 0 | 0 | 0 | 110.8 | P110 E114 G115 I116 | P110-D112 VanDerWaalsContact C-N 3.34Å; P110-D112 VanDerWaalsContact CB-OD2 3.3Å; P110-D112 WeakPolarHBondContact CB-OD2 3.47Å; P110-D112 PolarHBondContact O-N 2.81Å; D112-E114 VanDerWaalsContact C-N 3.32Å; D112-E114 PolarHBondContact O-N 2.74Å; D112-E114 PolarHBondContact OD1-N 3.35Å; D112-G115 PolarHBondContact O-N 2.99Å; D112-G115 PolarHBondContact OD1-N 3.39Å; D112-I116 WeakPolarHBondContact O-CG1 3.49Å; D112-I116 PolarHBondContact O-N 3.14Å |
| 113 | A | 97.8 | Very high | 92 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -41.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E55 K58 A59 I116 V117 | E55-A113 WeakPolarHBondContact O-CB 3.48Å; E55-A113 WeakPolarHBondContact OE2-CB 3.29Å; E55-A113 PolarHBondContact OE2-N 3.47Å; K58-A113 HydrophobicContact CB-CB 3.72Å; K58-A113 HydrophobicContact CD-CB 4.31Å; A59-A113 HydrophobicContact CB-CB 4.41Å; A113-I116 PolarHBondContact O-N 3.09Å; A113-V117 WeakPolarHBondContact O-CB 2.89Å; A113-V117 WeakPolarHBondContact O-CG2 3.39Å; A113-V117 PolarHBondContact O-N 3.38Å |
| 114 | E | 96.5 | Very high | 91.5 | Very high | 159 Ų | 159 | 59.7 Ų | 59.7 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | -179 | -174.3 | -179.3 | 170.9 | 0 | 0 | 111.1 | D112 I116 V117 K118 | D112-E114 VanDerWaalsContact C-N 3.32Å; D112-E114 PolarHBondContact O-N 2.74Å; D112-E114 PolarHBondContact OD1-N 3.35Å; E114-I116 PolarHBondContact O-N 3.43Å; E114-V117 PolarHBondContact O-N 3.07Å; E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 PolarHBondContact O-N 2.72Å |
| 115 | G | 94.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D112 Y119 | D112-G115 PolarHBondContact O-N 2.99Å; D112-G115 PolarHBondContact OD1-N 3.39Å; G115-Y119 VanDerWaalsContact O-CB 3.29Å; G115-Y119 WeakPolarHBondContact O-CB 3.26Å; G115-Y119 PolarHBondContact O-N 2.77Å |
| 116 | I | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 177.1 | -65.7 | 165.1 | 0 | 0 | 0 | 110.9 | L38 L52 Y56 A59 L63 L72 Y107 D112 A113 E114 K118 Y119 M120 | L38-I116 HydrophobicContact CD2-CG2 3.71Å; L52-I116 HydrophobicContact CD1-CD1 4.04Å; Y56-I116 HydrophobicContact CD2-CD1 3.98Å; A59-I116 HydrophobicContact CB-CB 3.91Å; A59-I116 HydrophobicContact CB-CD1 4.41Å; A59-I116 HydrophobicContact CB-CG2 3.69Å; L63-I116 HydrophobicContact CD1-CG2 4.32Å; L72-I116 HydrophobicContact CD2-CG2 3.77Å; Y107-I116 WeakPolarHBondContact OH-CA 3.47Å; D112-I116 WeakPolarHBondContact O-CG1 3.49Å; D112-I116 PolarHBondContact O-N 3.14Å; A113-I116 PolarHBondContact O-N 3.09Å; E114-I116 PolarHBondContact O-N 3.43Å; I116-K118 PolarHBondContact O-N 3.23Å; I116-Y119 PolarHBondContact O-N 2.98Å; I116-M120 HydrophobicContact CG2-CG 4.33Å; I116-M120 WeakPolarHBondContact O-CB 3.48Å; I116-M120 WeakPolarHBondContact O-CG 3.37Å; I116-M120 PolarHBondContact O-N 2.84Å |
| 117 | V | 95.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 179.9 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | A59 D62 L63 A113 E114 Y119 R121 | A59-V117 HydrophobicContact CB-CG2 4.04Å; D62-V117 HydrophobicContact CB-CG2 3.91Å; L63-V117 HydrophobicContact CD1-CG2 4.42Å; L63-V117 HydrophobicContact CD2-CB 4.45Å; L63-V117 HydrophobicContact CD2-CG1 4.15Å; L63-V117 HydrophobicContact CG-CB 4.42Å; L63-V117 HydrophobicContact CG-CG1 4.47Å; L63-V117 HydrophobicContact CG-CG2 4.04Å; A113-V117 WeakPolarHBondContact O-CB 2.89Å; A113-V117 WeakPolarHBondContact O-CG2 3.39Å; A113-V117 PolarHBondContact O-N 3.38Å; E114-V117 PolarHBondContact O-N 3.07Å; V117-Y119 PolarHBondContact O-N 2.78Å; V117-R121 VanDerWaalsContact CG1-CZ 3.47Å; V117-R121 VanDerWaalsContact O-CB 3.32Å; V117-R121 WeakPolarHBondContact O-CB 3.5Å; V117-R121 VanDerWaalsContact O-CG 3.31Å; V117-R121 WeakPolarHBondContact O-CG 3.39Å; V117-R121 PolarHBondContact O-N 3.28Å |
| 118 | K | 91.2 | Very high | 90.7 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.4 | -45.2 | 179.4 | -176.8 | -178.9 | 175.8 | -173.4 | 0 | 111.6 | E114 I116 S122 | E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 PolarHBondContact O-N 2.72Å; I116-K118 PolarHBondContact O-N 3.23Å; K118-S122 PolarHBondContact O-N 2.85Å |
| 119 | Y | 90.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 179.6 | -173.1 | -80.7 | 0 | 0 | 0 | 112 | V97 Y107 D108 G115 I116 V117 R121 S122 L123 T171 | V97-Y119 HydrophobicContact CG2-CE1 3.99Å; Y107-Y119 AromaticContact CD2-CD1 3.53Å; Y107-Y119 HydrophobicContact CD2-CD1 3.53Å; Y107-Y119 AromaticContact CD2-CE1 3.54Å; Y107-Y119 HydrophobicContact CD2-CE1 3.54Å; Y107-Y119 HydrophobicContact CD2-CG 4.04Å; Y107-Y119 AromaticContact CE2-CD1 3.38Å; Y107-Y119 HydrophobicContact CE2-CD1 3.38Å; Y107-Y119 HydrophobicContact CE2-CD2 4.04Å; Y107-Y119 AromaticContact CE2-CE1 3.87Å; Y107-Y119 HydrophobicContact CE2-CE1 3.87Å; Y107-Y119 HydrophobicContact CE2-CE2 4.46Å; Y107-Y119 AromaticContact CE2-CG 3.46Å; Y107-Y119 HydrophobicContact CE2-CG 3.46Å; Y107-Y119 VanDerWaalsContact CE2-CG 3.46Å; D108-Y119 VanDerWaalsContact OD1-CE2 3.27Å; D108-Y119 WeakPolarHBondContact OD1-CE2 3.44Å; D108-Y119 PolarHBondContact OD1-OH 3.3Å; G115-Y119 VanDerWaalsContact O-CB 3.29Å; G115-Y119 WeakPolarHBondContact O-CB 3.26Å; G115-Y119 PolarHBondContact O-N 2.77Å; I116-Y119 PolarHBondContact O-N 2.98Å; V117-Y119 PolarHBondContact O-N 2.78Å; Y119-R121 VanDerWaalsContact C-N 3.32Å; Y119-R121 PolarHBondContact O-N 2.6Å; Y119-S122 PolarHBondContact O-N 3.22Å; Y119-S122 VanDerWaalsContact O-N 3.12Å; Y119-S122 PolarHBondContact O-OG 3.06Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.43Å; Y119-L123 HydrophobicContact CE1-CD1 3.5Å; Y119-L123 VanDerWaalsContact CE1-CD1 3.5Å; Y119-L123 HydrophobicContact CE1-CG 4.26Å; Y119-L123 PolarHBondContact O-N 3.39Å; Y119-T171 HydrophobicContact CE2-CG2 4.47Å |
| 120 | M | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | -179 | -69.1 | -52.5 | -62.6 | 0 | 0 | 112.1 | L36 L38 L63 I70 V97 I116 S122 L123 H124 | L36-M120 HydrophobicContact CD1-CE 3.94Å; L36-M120 HydrophobicContact CD2-CE 4.03Å; L36-M120 WeakPolarHBondContact CD2-O 3.41Å; L36-M120 HydrophobicContact CG-CE 3.69Å; L38-M120 HydrophobicContact CB-CE 3.88Å; L38-M120 HydrophobicContact CB-CG 4.28Å; L38-M120 HydrophobicContact CB-SD 3.79Å; L38-M120 HydrophobicContact CD1-SD 4.13Å; L38-M120 HydrophobicContact CD2-CG 4.05Å; L38-M120 HydrophobicContact CD2-SD 4.03Å; L38-M120 HydrophobicContact CG-SD 4.21Å; L63-M120 HydrophobicContact CD1-CB 3.73Å; L63-M120 HydrophobicContact CD1-CG 3.97Å; L63-M120 HydrophobicContact CD2-CB 3.98Å; I70-M120 HydrophobicContact CG2-CB 4.09Å; I70-M120 HydrophobicContact CG2-CE 3.75Å; V97-M120 HydrophobicContact CG1-CE 4.46Å; V97-M120 HydrophobicContact CG2-SD 4.36Å; I116-M120 HydrophobicContact CG2-CG 4.33Å; I116-M120 WeakPolarHBondContact O-CB 3.48Å; I116-M120 WeakPolarHBondContact O-CG 3.37Å; I116-M120 PolarHBondContact O-N 2.84Å; M120-S122 VanDerWaalsContact C-N 3.32Å; M120-S122 PolarHBondContact O-N 2.84Å; M120-L123 PolarHBondContact O-N 2.79Å; M120-L123 HydrophobicContact SD-CD1 4.17Å; M120-H124 PolarHBondContact O-N 3.4Å |
| 121 | R | 88.9 | Confident | 91.8 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -29.7 | 172.3 | -74.8 | 177.9 | 177.5 | 162.1 | 4.2 | 113.2 | D62 L63 S66 I70 V117 Y119 L123 H124 | D62-R121 PolarHBondContact O-NH2 2.9Å; L63-R121 HydrophobicContact CD2-CG 3.84Å; S66-R121 PolarHBondContact OG-NE 3.22Å; I70-R121 HydrophobicContact CD1-CG 4.24Å; V117-R121 VanDerWaalsContact CG1-CZ 3.47Å; V117-R121 VanDerWaalsContact O-CB 3.32Å; V117-R121 WeakPolarHBondContact O-CB 3.5Å; V117-R121 VanDerWaalsContact O-CG 3.31Å; V117-R121 WeakPolarHBondContact O-CG 3.39Å; V117-R121 PolarHBondContact O-N 3.28Å; Y119-R121 VanDerWaalsContact C-N 3.32Å; Y119-R121 PolarHBondContact O-N 2.6Å; R121-L123 VanDerWaalsContact C-N 3.27Å; R121-L123 PolarHBondContact O-N 2.77Å; R121-H124 WeakPolarHBondContact O-CB 3.29Å; R121-H124 PolarHBondContact O-N 3.25Å; R121-H124 VanDerWaalsContact O-N 3.16Å |
| 122 | S | 83 | Confident | 91.9 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.7 | -26 | 175.3 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | K118 Y119 M120 H124 | K118-S122 PolarHBondContact O-N 2.85Å; Y119-S122 PolarHBondContact O-N 3.22Å; Y119-S122 VanDerWaalsContact O-N 3.12Å; Y119-S122 PolarHBondContact O-OG 3.06Å; M120-S122 VanDerWaalsContact C-N 3.32Å; M120-S122 PolarHBondContact O-N 2.84Å; S122-H124 VanDerWaalsContact C-N 3.27Å |
| 123 | L | 86.3 | Confident | 91.9 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -7.1 | 171 | -65.9 | 180 | 0 | 0 | 0 | 113.6 | L36 V97 Y119 M120 R121 R170 T171 | L36-L123 HydrophobicContact CD1-CB 4.02Å; L36-L123 HydrophobicContact CD1-CD1 4.4Å; L36-L123 HydrophobicContact CD2-CB 3.75Å; V97-L123 HydrophobicContact CB-CD1 4.42Å; V97-L123 HydrophobicContact CG1-CD1 3.62Å; V97-L123 HydrophobicContact CG2-CD1 3.96Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.43Å; Y119-L123 HydrophobicContact CE1-CD1 3.5Å; Y119-L123 VanDerWaalsContact CE1-CD1 3.5Å; Y119-L123 HydrophobicContact CE1-CG 4.26Å; Y119-L123 PolarHBondContact O-N 3.39Å; M120-L123 PolarHBondContact O-N 2.79Å; M120-L123 HydrophobicContact SD-CD1 4.17Å; R121-L123 VanDerWaalsContact C-N 3.27Å; R121-L123 PolarHBondContact O-N 2.77Å; L123-R170 HydrophobicContact CD2-CG 3.9Å; L123-R170 PolarHBondContact O-NH1 2.98Å; L123-R170 PolarHBondContact O-NH2 3.32Å; L123-T171 HydrophobicContact CD2-CG2 3.41Å; L123-T171 VanDerWaalsContact CD2-CG2 3.41Å; L123-T171 HydrophobicContact CG-CG2 4.27Å |
| 124 | H | 81.3 | Confident | 91.9 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 27% | 0.269 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -72.4 | 151.8 | 178.3 | -164 | 63.7 | 0 | 0 | 0 | 112.2 | E67 P68 I70 M120 R121 S122 R170 | E67-H124 PolarHBondContact O-NE2 3.17Å; P68-H124 WeakPolarHBondContact CD-CE1 3.37Å; P68-H124 WeakPolarHBondContact CD-NE2 3.12Å; P68-H124 PolarHBondContact O-CE1 3.44Å; P68-H124 VanDerWaalsContact O-CE1 3.24Å; I70-H124 HydrophobicContact CD1-CB 4.01Å; M120-H124 PolarHBondContact O-N 3.4Å; R121-H124 WeakPolarHBondContact O-CB 3.29Å; R121-H124 PolarHBondContact O-N 3.25Å; R121-H124 VanDerWaalsContact O-N 3.16Å; S122-H124 VanDerWaalsContact C-N 3.27Å; H124-R170 PolarHBondContact O-NH2 3.34Å |
| 125 | G | 80.3 | Confident | 92 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 74 | -174.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R99 R170 | R99-G125 PolarHBondContact NH2-O 3Å; G125-R170 PolarHBondContact O-NH1 3.15Å; G125-R170 PolarHBondContact O-NH2 3.49Å |
| 126 | P | 84.3 | Confident | 92.2 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | trans | -64.9 | 145.5 | -178.5 | 30.1 | -35.7 | 0 | 0 | 0 | 110.3 | S128 R170 | P126-S128 WeakPolarHBondContact CB-O 3.46Å; P126-S128 PolarHBondContact O-N 2.78Å; P126-R170 PolarHBondContact O-NH2 3.26Å | ||
| 127 | S | 88.2 | Confident | 92.2 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -63.1 | -26.3 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | D167 F175 | S127-D167 WeakPolarHBondContact CB-OD1 3.26Å; S127-D167 PolarHBondContact OG-OD1 2.85Å; S127-F175 WeakPolarHBondContact O-CB 3.19Å |
| 128 | S | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -130.9 | 121.4 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | P126 F162 F175 A176 H177 | P126-S128 WeakPolarHBondContact CB-O 3.46Å; P126-S128 PolarHBondContact O-N 2.78Å; S128-F162 WeakPolarHBondContact OG-CE1 3.23Å; S128-F175 WeakPolarHBondContact CA-O 3.31Å; S128-A176 WeakPolarHBondContact OG-CA 3.26Å; S128-A176 PolarHBondContact OG-N 2.74Å; S128-A176 PolarHBondContact OG-O 3.25Å; S128-H177 PolarHBondContact O-CE1 2.94Å; S128-H177 PolarHBondContact OG-N 3.34Å; S128-H177 PolarHBondContact OG-ND1 3.21Å |
| 129 | K | 94.7 | Very high | 92.4 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.4 | 176.6 | -179.1 | 179 | 176.8 | -172.8 | 0 | 110.5 | L131 F140 F175 A176 H177 | K129-L131 HydrophobicContact CD-CD2 4.16Å; K129-L131 HydrophobicContact CG-CD2 4.28Å; K129-F140 HydrophobicContact CB-CE2 4.32Å; K129-F140 HydrophobicContact CD-CD2 4.33Å; K129-F140 HydrophobicContact CD-CE2 4.45Å; K129-F175 PolarHBondContact N-O 3.08Å; K129-A176 HydrophobicContact CB-CB 4.38Å; K129-A176 CarbonylContact O-C 3.53Å; K129-A176 WeakPolarHBondContact O-CA 3.16Å; K129-A176 WeakPolarHBondContact O-CB 3.24Å; K129-H177 PolarHBondContact O-N 2.79Å |
| 130 | E | 97.4 | Very high | 92.7 | Very high | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.8 | 168.8 | -164.7 | 175.3 | 150.1 | 0 | 0 | 109.9 | H132 H177 | E130-H132 IonicContact OE1-CE1 3.7Å; E130-H132 PolarHBondContact OE1-CE1 3.02Å; E130-H132 IonicContact OE1-ND1 2.89Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å; E130-H132 IonicContact OE2-CE1 2.77Å; E130-H177 CarbonylContact C-O 3.58Å; E130-H177 WeakPolarHBondContact CA-O 3.32Å; E130-H177 IonicContact OE2-NE2 2.73Å |
| 131 | L | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.3 | 179.5 | -53.9 | 167.8 | 0 | 0 | 0 | 107.6 | K129 E136 F137 F140 I149 A176 H177 T178 | K129-L131 HydrophobicContact CD-CD2 4.16Å; K129-L131 HydrophobicContact CG-CD2 4.28Å; L131-E136 WeakPolarHBondContact CA-OE2 3.45Å; L131-E136 HydrophobicContact CB-CB 4.34Å; L131-E136 HydrophobicContact CD2-CB 4.16Å; L131-F137 HydrophobicContact CD1-CB 4.43Å; L131-F137 HydrophobicContact CD1-CD2 3.83Å; L131-F137 HydrophobicContact CD1-CG 4.43Å; L131-F140 HydrophobicContact CD1-CB 4.13Å; L131-F140 HydrophobicContact CD1-CG 4.27Å; L131-F140 HydrophobicContact CD2-CB 3.93Å; L131-F140 HydrophobicContact CD2-CD2 4.06Å; L131-F140 HydrophobicContact CD2-CG 4.16Å; L131-I149 HydrophobicContact CD1-CD1 4.19Å; L131-I149 HydrophobicContact CD1-CG2 4.25Å; L131-A176 HydrophobicContact CD1-CB 3.52Å; L131-A176 HydrophobicContact CD2-CB 4.31Å; L131-A176 HydrophobicContact CG-CB 3.86Å; L131-H177 PolarHBondContact N-O 2.92Å; L131-T178 WeakPolarHBondContact O-CB 3.47Å; L131-T178 PolarHBondContact O-OG1 3.13Å |
| 132 | H | 97.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | trans | -91.4 | -16.8 | -167.4 | -61.2 | -67.9 | 0 | 0 | 0 | 114.2 | E130 E136 | E130-H132 IonicContact OE1-CE1 3.7Å; E130-H132 PolarHBondContact OE1-CE1 3.02Å; E130-H132 IonicContact OE1-ND1 2.89Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å; E130-H132 IonicContact OE2-CE1 2.77Å; H132-E136 IonicContact CD2-OE2 3.47Å; H132-E136 PolarHBondContact CD2-OE2 2.97Å; H132-E136 IonicContact CG-OE2 3.67Å; H132-E136 PolarHBondContact N-OE2 3.34Å | ||
| 133 | D | 98 | Very high | 93.4 | Very high | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -151.4 | 172.7 | -179.6 | 64.9 | 34.9 | 0 | 0 | 0 | 112.1 | K135 E136 F137 | D133-K135 PolarHBondContact O-N 2.79Å; D133-K135 WeakPolarHBondContact OD1-CA 3.34Å; D133-K135 VanDerWaalsContact OD1-CB 3.31Å; D133-K135 WeakPolarHBondContact OD1-CB 3.2Å; D133-K135 PolarHBondContact OD1-N 3.47Å; D133-E136 PolarHBondContact O-N 3.4Å; D133-E136 PolarHBondContact OD1-N 3.01Å; D133-F137 WeakPolarHBondContact O-CB 3.36Å; D133-F137 PolarHBondContact O-N 3.45Å |
| 134 | L | 97.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -30.9 | 176.5 | -82.8 | 173.1 | 0 | 0 | 0 | 113.7 | D138 E182 V183 K186 | L134-D138 VanDerWaalsContact O-CB 3.29Å; L134-D138 WeakPolarHBondContact O-CB 3.28Å; L134-D138 VanDerWaalsContact O-CG 3.27Å; L134-D138 PolarHBondContact O-N 2.88Å; L134-E182 HydrophobicContact CD1-CB 3.71Å; L134-E182 HydrophobicContact CG-CB 3.91Å; L134-V183 HydrophobicContact CD2-CB 4.36Å; L134-V183 HydrophobicContact CD2-CG2 3.68Å; L134-V183 HydrophobicContact CG-CG2 4.11Å; L134-K186 HydrophobicContact CD2-CB 4.36Å; L134-K186 HydrophobicContact CD2-CD 3.53Å |
| 135 | K | 98 | Very high | 93.9 | Very high | 168 Ų | 168 | 61.9 Ų | 61.9 | 73% | 0.73 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.4 | -44.9 | -177.5 | 179.5 | -172.5 | 174.8 | -171.3 | 0 | 110.5 | D133 F137 A139 | D133-K135 PolarHBondContact O-N 2.79Å; D133-K135 WeakPolarHBondContact OD1-CA 3.34Å; D133-K135 VanDerWaalsContact OD1-CB 3.31Å; D133-K135 WeakPolarHBondContact OD1-CB 3.2Å; D133-K135 PolarHBondContact OD1-N 3.47Å; K135-F137 VanDerWaalsContact C-N 3.3Å; K135-A139 VanDerWaalsContact O-CB 3.24Å; K135-A139 WeakPolarHBondContact O-CB 3.19Å; K135-A139 PolarHBondContact O-N 3.48Å |
| 136 | E | 97.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 173.3 | -69.1 | -168.7 | 164.2 | 0 | 0 | 111.2 | L131 H132 D133 F140 | L131-E136 WeakPolarHBondContact CA-OE2 3.45Å; L131-E136 HydrophobicContact CB-CB 4.34Å; L131-E136 HydrophobicContact CD2-CB 4.16Å; H132-E136 IonicContact CD2-OE2 3.47Å; H132-E136 PolarHBondContact CD2-OE2 2.97Å; H132-E136 IonicContact CG-OE2 3.67Å; H132-E136 PolarHBondContact N-OE2 3.34Å; D133-E136 PolarHBondContact O-N 3.4Å; D133-E136 PolarHBondContact OD1-N 3.01Å; E136-F140 WeakPolarHBondContact O-CB 3.38Å; E136-F140 PolarHBondContact O-N 2.96Å |
| 137 | F | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -53.5 | 176.3 | -171.2 | -81 | 0 | 0 | 0 | 112.2 | L131 D133 K135 A139 F140 I141 I149 T178 V183 Y187 F196 | L131-F137 HydrophobicContact CD1-CB 4.43Å; L131-F137 HydrophobicContact CD1-CD2 3.83Å; L131-F137 HydrophobicContact CD1-CG 4.43Å; D133-F137 WeakPolarHBondContact O-CB 3.36Å; D133-F137 PolarHBondContact O-N 3.45Å; K135-F137 VanDerWaalsContact C-N 3.3Å; F137-A139 VanDerWaalsContact C-N 3.31Å; F137-A139 PolarHBondContact O-N 3.48Å; F137-F140 WeakPolarHBondContact O-CB 3.4Å; F137-F140 PolarHBondContact O-N 3.25Å; F137-I141 HydrophobicContact CD1-CD1 4.25Å; F137-I141 HydrophobicContact CD1-CG2 4.46Å; F137-I141 HydrophobicContact CE1-CD1 3.93Å; F137-I141 HydrophobicContact CE1-CG1 4.47Å; F137-I141 HydrophobicContact CE1-CG2 4.01Å; F137-I141 HydrophobicContact CZ-CG2 4.39Å; F137-I141 PolarHBondContact O-N 3.29Å; F137-I141 VanDerWaalsContact O-N 3.14Å; F137-I149 HydrophobicContact CD2-CD1 4.31Å; F137-I149 HydrophobicContact CE2-CD1 3.78Å; F137-I149 HydrophobicContact CE2-CG2 3.85Å; F137-I149 HydrophobicContact CZ-CD1 3.93Å; F137-T178 HydrophobicContact CD2-CG2 4.18Å; F137-T178 HydrophobicContact CE2-CG2 4.24Å; F137-V183 HydrophobicContact CB-CG2 3.75Å; F137-V183 HydrophobicContact CD1-CG1 4.39Å; F137-V183 HydrophobicContact CD2-CB 4.39Å; F137-V183 HydrophobicContact CD2-CG1 3.47Å; F137-V183 VanDerWaalsContact CD2-CG1 3.47Å; F137-V183 HydrophobicContact CD2-CG2 3.97Å; F137-V183 HydrophobicContact CE1-CG1 4.41Å; F137-V183 HydrophobicContact CE2-CG1 3.45Å; F137-V183 VanDerWaalsContact CE2-CG1 3.45Å; F137-V183 HydrophobicContact CG-CG1 3.94Å; F137-V183 HydrophobicContact CG-CG2 3.87Å; F137-V183 HydrophobicContact CZ-CG1 3.96Å; F137-Y187 HydrophobicContact CD1-CE2 4.01Å; F137-Y187 HydrophobicContact CE1-CD2 4.18Å; F137-Y187 AromaticContact CE1-CE2 3.25Å; F137-Y187 HydrophobicContact CE1-CE2 3.25Å; F137-Y187 AromaticContact CE1-CZ 3.62Å; F137-Y187 WeakPolarHBondContact CE1-OH 3.44Å; F137-Y187 HydrophobicContact CZ-CD2 4.15Å; F137-Y187 AromaticContact CZ-CE2 3.65Å; F137-Y187 HydrophobicContact CZ-CE2 3.65Å; F137-F196 HydrophobicContact CE1-CE1 4.48Å; F137-F196 HydrophobicContact CE1-CZ 4.27Å; F137-F196 HydrophobicContact CZ-CE1 4.28Å; F137-F196 AromaticContact CZ-CE2 3.83Å; F137-F196 HydrophobicContact CZ-CE2 3.83Å; F137-F196 AromaticContact CZ-CZ 3.64Å; F137-F196 HydrophobicContact CZ-CZ 3.64Å |
| 138 | D | 96.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | -179.9 | -75 | -18.7 | 0 | 0 | 0 | 110.9 | L134 F140 I141 D142 K186 | L134-D138 VanDerWaalsContact O-CB 3.29Å; L134-D138 WeakPolarHBondContact O-CB 3.28Å; L134-D138 VanDerWaalsContact O-CG 3.27Å; L134-D138 PolarHBondContact O-N 2.88Å; D138-F140 VanDerWaalsContact C-N 3.3Å; D138-F140 PolarHBondContact O-N 2.98Å; D138-I141 WeakPolarHBondContact O-CG1 3.46Å; D138-I141 PolarHBondContact O-N 2.79Å; D138-D142 WeakPolarHBondContact O-CB 3.35Å; D138-D142 PolarHBondContact O-N 3.11Å; D138-K186 VanDerWaalsContact CG-NZ 3.28Å; D138-K186 IonicContact OD1-NZ 3.74Å; D138-K186 PolarHBondContact OD1-NZ 3.47Å; D138-K186 IonicContact OD2-NZ 2.81Å; D138-K186 PolarHBondContact OD2-NZ 2.81Å |
| 139 | A | 96.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.1 | -34.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K135 F137 | K135-A139 VanDerWaalsContact O-CB 3.24Å; K135-A139 WeakPolarHBondContact O-CB 3.19Å; K135-A139 PolarHBondContact O-N 3.48Å; F137-A139 VanDerWaalsContact C-N 3.31Å; F137-A139 PolarHBondContact O-N 3.48Å |
| 140 | F | 96 | Very high | 95.9 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -42.5 | -179.9 | -167.8 | -88.6 | 0 | 0 | 0 | 112.6 | K129 L131 E136 F137 D138 A143 S147 I149 R174 A176 | K129-F140 HydrophobicContact CB-CE2 4.32Å; K129-F140 HydrophobicContact CD-CD2 4.33Å; K129-F140 HydrophobicContact CD-CE2 4.45Å; L131-F140 HydrophobicContact CD1-CB 4.13Å; L131-F140 HydrophobicContact CD1-CG 4.27Å; L131-F140 HydrophobicContact CD2-CB 3.93Å; L131-F140 HydrophobicContact CD2-CD2 4.06Å; L131-F140 HydrophobicContact CD2-CG 4.16Å; E136-F140 WeakPolarHBondContact O-CB 3.38Å; E136-F140 PolarHBondContact O-N 2.96Å; F137-F140 WeakPolarHBondContact O-CB 3.4Å; F137-F140 PolarHBondContact O-N 3.25Å; D138-F140 VanDerWaalsContact C-N 3.3Å; D138-F140 PolarHBondContact O-N 2.98Å; F140-A143 WeakPolarHBondContact O-CB 3.31Å; F140-S147 PolarHBondContact O-OG 3.33Å; F140-I149 HydrophobicContact CD1-CD1 3.82Å; F140-I149 HydrophobicContact CD1-CG1 4.24Å; F140-I149 HydrophobicContact CE1-CD1 4.34Å; F140-I149 HydrophobicContact CE1-CG1 4.27Å; F140-R174 HydrophobicContact CE1-CB 4.4Å; F140-R174 HydrophobicContact CZ-CB 3.98Å; F140-R174 PolarHBondContact O-NH1 2.94Å; F140-R174 PolarHBondContact O-NH2 3.29Å; F140-A176 HydrophobicContact CD1-CB 3.9Å; F140-A176 HydrophobicContact CD2-CB 4.1Å; F140-A176 HydrophobicContact CE1-CB 3.56Å; F140-A176 HydrophobicContact CE2-CB 3.79Å; F140-A176 HydrophobicContact CG-CB 4.15Å; F140-A176 HydrophobicContact CZ-CB 3.51Å |
| 141 | I | 95.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.9 | -20.8 | 179.5 | 64.9 | 166.7 | 0 | 0 | 0 | 113.5 | F137 D138 A143 I149 Y187 F196 | F137-I141 HydrophobicContact CD1-CD1 4.25Å; F137-I141 HydrophobicContact CD1-CG2 4.46Å; F137-I141 HydrophobicContact CE1-CD1 3.93Å; F137-I141 HydrophobicContact CE1-CG1 4.47Å; F137-I141 HydrophobicContact CE1-CG2 4.01Å; F137-I141 HydrophobicContact CZ-CG2 4.39Å; F137-I141 PolarHBondContact O-N 3.29Å; F137-I141 VanDerWaalsContact O-N 3.14Å; D138-I141 WeakPolarHBondContact O-CG1 3.46Å; D138-I141 PolarHBondContact O-N 2.79Å; I141-A143 PolarHBondContact O-N 2.91Å; I141-I149 HydrophobicContact CG2-CD1 3.41Å; I141-I149 VanDerWaalsContact CG2-CD1 3.41Å; I141-Y187 WeakPolarHBondContact CD1-OH 3.35Å; I141-F196 HydrophobicContact CB-CB 4.39Å; I141-F196 HydrophobicContact CG2-CB 3.93Å; I141-F196 HydrophobicContact CG2-CD1 4.24Å; I141-F196 HydrophobicContact CG2-CD2 4.11Å; I141-F196 HydrophobicContact CG2-CG 3.83Å |
| 142 | D | 94.2 | Very high | 95.9 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -3.2 | 175.9 | -81.3 | -0.1 | 0 | 0 | 0 | 113.4 | D138 K199 | D138-D142 WeakPolarHBondContact O-CB 3.35Å; D138-D142 PolarHBondContact O-N 3.11Å; D142-K199 WeakPolarHBondContact OD1-CD 3.32Å; D142-K199 WeakPolarHBondContact OD1-CE 3.29Å; D142-K199 IonicContact OD1-NZ 3.94Å; D142-K199 PolarHBondContact OD1-NZ 2.75Å; D142-K199 IonicContact OD2-NZ 2.71Å; D142-K199 PolarHBondContact OD2-NZ 3.07Å |
| 143 | A | 90.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -59.2 | 155.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F140 I141 E145 | F140-A143 WeakPolarHBondContact O-CB 3.31Å; I141-A143 PolarHBondContact O-N 2.91Å; A143-E145 PolarHBondContact O-N 2.94Å; A143-E145 VanDerWaalsContact O-N 3.09Å |
| 144 | K | 89.2 | Confident | 95.7 | Very high | 134 Ų | 134 | 51.3 Ų | 51.3 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -77.5 | 13.9 | 176.8 | -63.8 | -174.1 | -179.9 | -174.7 | 0 | 113.5 | D258 | K144-D258 WeakPolarHBondContact CE-OD1 3.48Å; K144-D258 IonicContact NZ-OD1 3.5Å; K144-D258 PolarHBondContact NZ-OD1 2.88Å; K144-D258 IonicContact NZ-OD2 3.28Å; K144-D258 PolarHBondContact NZ-OD2 2.89Å |
| 145 | E | 88.9 | Confident | 95.6 | Very high | 120 Ų | 120 | 54.6 Ų | 54.6 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -128.5 | 150.5 | -171.6 | -69.7 | 175.2 | -127.4 | 0 | 0 | 110.9 | A143 S147 R174 | A143-E145 PolarHBondContact O-N 2.94Å; A143-E145 VanDerWaalsContact O-N 3.09Å; E145-S147 PolarHBondContact O-N 3.5Å; E145-S147 PolarHBondContact O-OG 3.14Å; E145-R174 WeakPolarHBondContact OE2-CD 3.45Å |
| 146 | M | 92.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | trans | -55.4 | 135.3 | 174.5 | -67.5 | -49.6 | -53.9 | 0 | 0 | 111.7 | V195 F196 W197 P198 I229 | M146-V195 HydrophobicContact CE-CG1 3.28Å; M146-F196 VanDerWaalsContact CE-O 3.24Å; M146-F196 WeakPolarHBondContact CE-O 3.42Å; M146-W197 HydrophobicContact CE-CB 4.25Å; M146-W197 HydrophobicContact CE-CG 3.73Å; M146-W197 VanDerWaalsContact CE-NE1 3.32Å; M146-W197 HydrophobicContact SD-CB 4.33Å; M146-W197 HydrophobicContact SD-CG 4.13Å; M146-P198 WeakPolarHBondContact SD-CD 3.46Å; M146-P198 HydrophobicContact SD-CG 4.34Å; M146-I229 HydrophobicContact CB-CD1 4.04Å; M146-I229 HydrophobicContact CB-CG1 4.14Å; M146-I229 HydrophobicContact CE-CG1 3.93Å; M146-I229 WeakPolarHBondContact CE-O 3.44Å; M146-I229 HydrophobicContact CG-CD1 4.44Å; M146-I229 HydrophobicContact CG-CG1 4.15Å | ||
| 147 | S | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.2 | 179.8 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | F140 E145 R174 V195 F196 | F140-S147 PolarHBondContact O-OG 3.33Å; E145-S147 PolarHBondContact O-N 3.5Å; E145-S147 PolarHBondContact O-OG 3.14Å; S147-R174 PolarHBondContact OG-NH1 3.41Å; S147-V195 CarbonylContact O-C 3.5Å; S147-V195 WeakPolarHBondContact O-CA 3.47Å; S147-F196 PolarHBondContact N-O 3.12Å; S147-F196 VanDerWaalsContact N-O 3.12Å; S147-F196 PolarHBondContact O-N 3.1Å |
| 148 | V | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 113.9 | 172.7 | -166.3 | 0 | 0 | 0 | 0 | 107.8 | F162 R174 F175 A176 I193 V194 V195 L225 I229 | V148-F162 HydrophobicContact CG1-CE2 3.97Å; V148-R174 PolarHBondContact N-O 2.95Å; V148-F175 HydrophobicContact CB-CD1 3.69Å; V148-F175 HydrophobicContact CB-CE1 3.79Å; V148-F175 HydrophobicContact CB-CG 4.4Å; V148-F175 HydrophobicContact CG1-CD1 3.95Å; V148-F175 HydrophobicContact CG1-CE1 3.8Å; V148-F175 HydrophobicContact CG2-CD1 4.41Å; V148-F175 HydrophobicContact CG2-CE1 4.14Å; V148-F175 HydrophobicContact CG2-CZ 4.47Å; V148-F175 CarbonylContact O-C 3.55Å; V148-F175 VanDerWaalsContact O-CA 3.26Å; V148-F175 WeakPolarHBondContact O-CA 3.47Å; V148-A176 PolarHBondContact O-N 3.31Å; V148-I193 HydrophobicContact CG1-CG2 4.01Å; V148-V194 CarbonylContact C-O 3.49Å; V148-V194 WeakPolarHBondContact CA-O 3.37Å; V148-V195 HydrophobicContact CG1-CG2 4.39Å; V148-V195 HydrophobicContact CG2-CG2 4.35Å; V148-L225 HydrophobicContact CB-CD2 4.42Å; V148-L225 HydrophobicContact CG1-CD1 4.45Å; V148-L225 HydrophobicContact CG1-CD2 3.57Å; V148-L225 HydrophobicContact CG2-CD2 3.9Å; V148-I229 HydrophobicContact CG2-CD1 4.38Å |
| 149 | I | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.9 | -172.9 | -48.1 | -175.5 | 0 | 0 | 0 | 110.5 | L131 F137 F140 I141 L151 A176 V194 F196 | L131-I149 HydrophobicContact CD1-CD1 4.19Å; L131-I149 HydrophobicContact CD1-CG2 4.25Å; F137-I149 HydrophobicContact CD2-CD1 4.31Å; F137-I149 HydrophobicContact CE2-CD1 3.78Å; F137-I149 HydrophobicContact CE2-CG2 3.85Å; F137-I149 HydrophobicContact CZ-CD1 3.93Å; F140-I149 HydrophobicContact CD1-CD1 3.82Å; F140-I149 HydrophobicContact CD1-CG1 4.24Å; F140-I149 HydrophobicContact CE1-CD1 4.34Å; F140-I149 HydrophobicContact CE1-CG1 4.27Å; I141-I149 HydrophobicContact CG2-CD1 3.41Å; I141-I149 VanDerWaalsContact CG2-CD1 3.41Å; I149-L151 HydrophobicContact CB-CD1 4.18Å; I149-L151 HydrophobicContact CG2-CD1 4.03Å; I149-A176 CarbonylContact C-O 3.47Å; I149-A176 VanDerWaalsContact CA-O 3.26Å; I149-A176 WeakPolarHBondContact CA-O 3.35Å; I149-A176 HydrophobicContact CG1-CB 4.25Å; I149-A176 HydrophobicContact CG2-CB 4.34Å; I149-V194 PolarHBondContact N-O 3.37Å; I149-V194 PolarHBondContact O-N 3.43Å; I149-F196 HydrophobicContact CB-CD2 4.22Å; I149-F196 HydrophobicContact CB-CE2 4.03Å; I149-F196 HydrophobicContact CD1-CD2 3.84Å; I149-F196 HydrophobicContact CD1-CE2 4.05Å; I149-F196 HydrophobicContact CG1-CD2 3.93Å; I149-F196 HydrophobicContact CG1-CE2 4.2Å |
| 150 | G | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F152 A176 H177 T178 D192 | G150-F152 VanDerWaalsContact CA-CE2 3.41Å; G150-A176 PolarHBondContact N-O 3.33Å; G150-H177 CarbonylContact O-C 3.48Å; G150-H177 WeakPolarHBondContact O-CA 3.33Å; G150-H177 WeakPolarHBondContact O-CB 3.43Å; G150-T178 PolarHBondContact O-N 3.19Å; G150-D192 CarbonylContact C-O 3.47Å; G150-D192 WeakPolarHBondContact CA-O 3.14Å |
| 151 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 100.5 | 177.8 | -74.5 | 87.3 | 0 | 0 | 0 | 107.8 | I149 T178 V183 L184 Y187 L189 D191 D192 V194 F196 | I149-L151 HydrophobicContact CB-CD1 4.18Å; I149-L151 HydrophobicContact CG2-CD1 4.03Å; L151-T178 HydrophobicContact CG-CG2 4.05Å; L151-V183 HydrophobicContact CD2-CG1 3.97Å; L151-L184 HydrophobicContact CB-CD2 3.66Å; L151-L184 HydrophobicContact CD2-CD2 4.3Å; L151-L184 HydrophobicContact CG-CD2 4.35Å; L151-Y187 HydrophobicContact CD2-CD2 4.36Å; L151-L189 HydrophobicContact CD2-CB 4.19Å; L151-L189 HydrophobicContact CD2-CD1 4.37Å; L151-D191 CarbonylContact O-C 3.54Å; L151-D191 WeakPolarHBondContact O-CA 3.48Å; L151-D191 PolarHBondContact O-N 3.08Å; L151-D192 PolarHBondContact N-O 3.16Å; L151-D192 PolarHBondContact O-N 3.16Å; L151-V194 HydrophobicContact CD1-CB 4.16Å; L151-V194 HydrophobicContact CD1-CG2 3.86Å; L151-F196 HydrophobicContact CD1-CE2 4.23Å |
| 152 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -120.7 | 145.6 | -170.8 | -56.6 | -65.1 | 0 | 0 | 0 | 111.1 | G150 L158 K159 F162 H177 T178 F179 D191 I193 | G150-F152 VanDerWaalsContact CA-CE2 3.41Å; F152-L158 HydrophobicContact CE1-CB 4.32Å; F152-L158 HydrophobicContact CE1-CD2 4.21Å; F152-L158 HydrophobicContact CE1-CG 4.11Å; F152-K159 HydrophobicContact CD1-CB 4Å; F152-K159 HydrophobicContact CD2-CB 3.97Å; F152-K159 HydrophobicContact CD2-CG 3.91Å; F152-K159 HydrophobicContact CE1-CB 4.04Å; F152-K159 HydrophobicContact CE2-CB 3.95Å; F152-K159 HydrophobicContact CE2-CG 3.97Å; F152-K159 HydrophobicContact CG-CB 4Å; F152-K159 HydrophobicContact CG-CG 4.35Å; F152-K159 VanDerWaalsContact CZ-CA 3.5Å; F152-K159 HydrophobicContact CZ-CB 4.02Å; F152-F162 HydrophobicContact CE2-CB 4.44Å; F152-F162 AromaticContact CE2-CD1 3.86Å; F152-F162 HydrophobicContact CE2-CD1 3.86Å; F152-F162 HydrophobicContact CE2-CE1 4.47Å; F152-F162 HydrophobicContact CE2-CG 4.28Å; F152-F162 HydrophobicContact CZ-CB 3.87Å; F152-F162 HydrophobicContact CZ-CD1 4.07Å; F152-F162 HydrophobicContact CZ-CG 4.01Å; F152-H177 HydrophobicContact CD2-CB 4.26Å; F152-H177 HydrophobicContact CE2-CB 4.18Å; F152-T178 PolarHBondContact N-O 3.15Å; F152-F179 HydrophobicContact CB-CD1 3.92Å; F152-F179 HydrophobicContact CB-CE1 3.6Å; F152-F179 HydrophobicContact CB-CZ 4.47Å; F152-F179 WeakPolarHBondContact O-CA 3.41Å; F152-F179 WeakPolarHBondContact O-CD1 3.3Å; F152-D191 WeakPolarHBondContact CA-OD1 3.49Å; F152-I193 HydrophobicContact CZ-CG1 4.43Å | ||
| 153 | E | 96.1 | Very high | 95.7 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -81.6 | -31.4 | 172.4 | -70.1 | -174.5 | 145.8 | 0 | 0 | 111.9 | L184 T190 D191 | E153-L184 HydrophobicContact CG-CD1 3.89Å; E153-T190 HydrophobicContact CG-CG2 3.95Å; E153-T190 WeakPolarHBondContact OE1-CG2 3.31Å; E153-D191 PolarHBondContact N-OD1 2.95Å; E153-D191 VanDerWaalsContact N-OD1 3.09Å |
| 154 | K | 95.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 54.4 Ų | 54.4 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -165.3 | -175.9 | -173.8 | 59.5 | -176.3 | 176.8 | -169.4 | 0 | 109.8 | S156 | K154-S156 PolarHBondContact O-N 2.97Š|
| 155 | D | 94.8 | Very high | 96.2 | Very high | 115 Ų | 115 | 48 Ų | 48 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | trans | -57.1 | 132.2 | 170.2 | -66.1 | -39.4 | 0 | 0 | 0 | 111.8 | K159 | D155-K159 WeakPolarHBondContact OD1-CD 3.36Å; D155-K159 IonicContact OD1-NZ 3.12Å; D155-K159 PolarHBondContact OD1-NZ 2.73Å | ||
| 156 | S | 95.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | trans | -151.6 | 158.3 | -178.7 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | K154 L158 K159 D160 | K154-S156 PolarHBondContact O-N 2.97Å; S156-L158 PolarHBondContact O-N 3.39Å; S156-K159 WeakPolarHBondContact O-CB 3.47Å; S156-K159 PolarHBondContact O-N 3.38Å; S156-K159 VanDerWaalsContact O-N 3.08Å; S156-K159 PolarHBondContact OG-N 3.26Å; S156-K159 VanDerWaalsContact OG-N 3.11Å; S156-D160 PolarHBondContact O-N 3.37Å | ||
| 157 | K | 96.7 | Very high | 96.3 | Very high | 142 Ų | 142 | 44.5 Ų | 44.5 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.2 | -31.4 | 174.9 | -66.3 | -175.9 | 178.5 | -178.9 | 0 | 112.3 | S161 F216 | K157-S161 WeakPolarHBondContact O-CB 3.44Å; K157-S161 PolarHBondContact O-N 3.32Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 3.46Å; K157-F216 HydrophobicContact CB-CB 4.01Å; K157-F216 HydrophobicContact CB-CD1 4.07Å; K157-F216 HydrophobicContact CB-CD2 4.22Å; K157-F216 HydrophobicContact CB-CG 3.83Å; K157-F216 HydrophobicContact CD-CD1 4.2Å; K157-F216 HydrophobicContact CD-CD2 4.46Å; K157-F216 HydrophobicContact CD-CE1 3.98Å; K157-F216 HydrophobicContact CD-CE2 4.27Å; K157-F216 HydrophobicContact CD-CG 4.45Å; K157-F216 HydrophobicContact CD-CZ 4.03Å |
| 158 | L | 97.6 | Very high | 96 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -41.8 | 177.6 | -172.1 | 66.1 | 0 | 0 | 0 | 111 | F152 S156 S161 F162 D191 I193 Y212 F216 I221 | F152-L158 HydrophobicContact CE1-CB 4.32Å; F152-L158 HydrophobicContact CE1-CD2 4.21Å; F152-L158 HydrophobicContact CE1-CG 4.11Å; S156-L158 PolarHBondContact O-N 3.39Å; L158-S161 PolarHBondContact O-N 2.86Å; L158-F162 VanDerWaalsContact O-CB 3.29Å; L158-F162 WeakPolarHBondContact O-CB 3.39Å; L158-F162 PolarHBondContact O-N 2.68Å; L158-D191 WeakPolarHBondContact CD2-O 3.4Å; L158-I193 HydrophobicContact CD1-CD1 3.75Å; L158-I193 HydrophobicContact CD1-CG1 4.41Å; L158-I193 HydrophobicContact CD2-CG1 4.32Å; L158-I193 HydrophobicContact CG-CD1 4.05Å; L158-I193 HydrophobicContact CG-CG1 4.24Å; L158-Y212 HydrophobicContact CD1-CD1 4.43Å; L158-Y212 HydrophobicContact CD1-CE1 4.19Å; L158-F216 HydrophobicContact CD1-CB 4.35Å; L158-I221 HydrophobicContact CD1-CD1 4.18Å |
| 159 | K | 97.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 49 Ų | 49 | 13% | 0.13 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.1 | -51.3 | 171.4 | 178.3 | -160.2 | 166.9 | 175.6 | 0 | 111 | F152 D155 S156 S161 F162 L163 F179 | F152-K159 HydrophobicContact CD1-CB 4Å; F152-K159 HydrophobicContact CD2-CB 3.97Å; F152-K159 HydrophobicContact CD2-CG 3.91Å; F152-K159 HydrophobicContact CE1-CB 4.04Å; F152-K159 HydrophobicContact CE2-CB 3.95Å; F152-K159 HydrophobicContact CE2-CG 3.97Å; F152-K159 HydrophobicContact CG-CB 4Å; F152-K159 HydrophobicContact CG-CG 4.35Å; F152-K159 VanDerWaalsContact CZ-CA 3.5Å; F152-K159 HydrophobicContact CZ-CB 4.02Å; D155-K159 WeakPolarHBondContact OD1-CD 3.36Å; D155-K159 IonicContact OD1-NZ 3.12Å; D155-K159 PolarHBondContact OD1-NZ 2.73Å; S156-K159 WeakPolarHBondContact O-CB 3.47Å; S156-K159 PolarHBondContact O-N 3.38Å; S156-K159 VanDerWaalsContact O-N 3.08Å; S156-K159 PolarHBondContact OG-N 3.26Å; S156-K159 VanDerWaalsContact OG-N 3.11Å; K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 2.02Å; K159-F162 WeakPolarHBondContact O-CB 3.28Å; K159-F162 PolarHBondContact O-N 3.43Å; K159-F162 VanDerWaalsContact O-N 3.16Å; K159-L163 HydrophobicContact CG-CD1 4.2Å; K159-L163 HydrophobicContact CG-CG 4.46Å; K159-L163 WeakPolarHBondContact O-CG 3.47Å; K159-L163 PolarHBondContact O-N 3.27Å; K159-F179 HydrophobicContact CD-CE1 4.21Å; K159-F179 HydrophobicContact CD-CZ 3.83Å |
| 160 | D | 97.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -42.9 | -178.9 | -62.1 | -25 | 0 | 0 | 0 | 111.3 | S156 L163 K164 | S156-D160 PolarHBondContact O-N 3.37Å; D160-L163 PolarHBondContact O-N 2.84Å; D160-K164 WeakPolarHBondContact O-CB 3.05Å; D160-K164 PolarHBondContact O-N 2.65Å |
| 161 | S | 97.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | K157 L158 K159 V165 F216 | K157-S161 WeakPolarHBondContact O-CB 3.44Å; K157-S161 PolarHBondContact O-N 3.32Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 3.46Å; L158-S161 PolarHBondContact O-N 2.86Å; K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 2.02Å; S161-V165 WeakPolarHBondContact O-CG2 3.47Å; S161-V165 PolarHBondContact O-N 2.99Å; S161-F216 WeakPolarHBondContact CB-O 3.36Å; S161-F216 PolarHBondContact OG-O 3.36Å |
| 162 | F | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 173.2 | 170.8 | -99.9 | 0 | 0 | 0 | 111.7 | S128 V148 F152 L158 K159 K164 V165 A166 F175 A176 H177 I193 | S128-F162 WeakPolarHBondContact OG-CE1 3.23Å; V148-F162 HydrophobicContact CG1-CE2 3.97Å; F152-F162 HydrophobicContact CE2-CB 4.44Å; F152-F162 AromaticContact CE2-CD1 3.86Å; F152-F162 HydrophobicContact CE2-CD1 3.86Å; F152-F162 HydrophobicContact CE2-CE1 4.47Å; F152-F162 HydrophobicContact CE2-CG 4.28Å; F152-F162 HydrophobicContact CZ-CB 3.87Å; F152-F162 HydrophobicContact CZ-CD1 4.07Å; F152-F162 HydrophobicContact CZ-CG 4.01Å; L158-F162 VanDerWaalsContact O-CB 3.29Å; L158-F162 WeakPolarHBondContact O-CB 3.39Å; L158-F162 PolarHBondContact O-N 2.68Å; K159-F162 WeakPolarHBondContact O-CB 3.28Å; K159-F162 PolarHBondContact O-N 3.43Å; K159-F162 VanDerWaalsContact O-N 3.16Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.94Å; F162-V165 PolarHBondContact O-N 3.46Å; F162-V165 VanDerWaalsContact O-N 3.12Å; F162-A166 PolarHBondContact O-N 3.1Å; F162-F175 AromaticContact CE2-CD1 3.66Å; F162-F175 HydrophobicContact CE2-CD1 3.66Å; F162-F175 HydrophobicContact CE2-CE1 4.2Å; F162-F175 HydrophobicContact CZ-CB 4.26Å; F162-F175 AromaticContact CZ-CD1 3.75Å; F162-F175 HydrophobicContact CZ-CD1 3.75Å; F162-A176 VanDerWaalsContact CE1-O 3.28Å; F162-A176 WeakPolarHBondContact CE1-O 3.27Å; F162-A176 WeakPolarHBondContact CZ-O 3.26Å; F162-H177 HydrophobicContact CE1-CB 4.03Å; F162-I193 HydrophobicContact CB-CD1 3.88Å; F162-I193 HydrophobicContact CB-CG1 4.22Å; F162-I193 HydrophobicContact CD2-CB 4.44Å; F162-I193 HydrophobicContact CD2-CD1 3.9Å; F162-I193 HydrophobicContact CD2-CG1 3.82Å; F162-I193 HydrophobicContact CD2-CG2 3.81Å; F162-I193 HydrophobicContact CE2-CG2 3.97Å; F162-I193 HydrophobicContact CG-CD1 4.32Å; F162-I193 HydrophobicContact CG-CG1 4.3Å |
| 163 | L | 96.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.3 | -68.2 | 178.7 | 0 | 0 | 0 | 111.4 | K159 D160 V165 A166 D167 | K159-L163 HydrophobicContact CG-CD1 4.2Å; K159-L163 HydrophobicContact CG-CG 4.46Å; K159-L163 WeakPolarHBondContact O-CG 3.47Å; K159-L163 PolarHBondContact O-N 3.27Å; D160-L163 PolarHBondContact O-N 2.84Å; L163-V165 VanDerWaalsContact C-N 3.32Å; L163-V165 PolarHBondContact O-N 3.05Å; L163-A166 WeakPolarHBondContact O-CB 2.96Å; L163-A166 PolarHBondContact O-N 2.79Å; L163-D167 PolarHBondContact O-N 3.04Å |
| 164 | K | 94.5 | Very high | 93 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 54% | 0.535 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 173.1 | -176.4 | 178.3 | 179.5 | -177.8 | 0 | 112.5 | D160 F162 I168 | D160-K164 WeakPolarHBondContact O-CB 3.05Å; D160-K164 PolarHBondContact O-N 2.65Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.94Å; K164-I168 HydrophobicContact CG-CD1 4.36Å; K164-I168 WeakPolarHBondContact O-CG1 3.17Å; K164-I168 PolarHBondContact O-N 2.88Å |
| 165 | V | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S161 F162 L163 D167 I168 E169 F175 S218 I221 K222 L225 | S161-V165 WeakPolarHBondContact O-CG2 3.47Å; S161-V165 PolarHBondContact O-N 2.99Å; F162-V165 PolarHBondContact O-N 3.46Å; F162-V165 VanDerWaalsContact O-N 3.12Å; L163-V165 VanDerWaalsContact C-N 3.32Å; L163-V165 PolarHBondContact O-N 3.05Å; V165-D167 VanDerWaalsContact C-N 3.3Å; V165-D167 PolarHBondContact O-N 3.18Å; V165-I168 PolarHBondContact O-N 2.67Å; V165-I168 VanDerWaalsContact O-N 3.14Å; V165-E169 HydrophobicContact CG1-CG 4.11Å; V165-E169 PolarHBondContact O-N 3.05Å; V165-F175 HydrophobicContact CG1-CE1 4.32Å; V165-F175 HydrophobicContact CG1-CZ 4.29Å; V165-S218 WeakPolarHBondContact CG2-O 3.46Å; V165-I221 HydrophobicContact CB-CG2 4.25Å; V165-I221 HydrophobicContact CG1-CG2 4.04Å; V165-I221 HydrophobicContact CG2-CB 4.06Å; V165-I221 HydrophobicContact CG2-CG2 4.03Å; V165-K222 HydrophobicContact CG1-CG 3.95Å; V165-K222 HydrophobicContact CG2-CG 4.03Å; V165-L225 HydrophobicContact CG1-CD1 3.96Å |
| 166 | A | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F162 L163 I168 E169 R170 F175 | F162-A166 PolarHBondContact O-N 3.1Å; L163-A166 WeakPolarHBondContact O-CB 2.96Å; L163-A166 PolarHBondContact O-N 2.79Å; A166-I168 VanDerWaalsContact C-N 3.26Å; A166-I168 PolarHBondContact O-N 3.49Å; A166-E169 PolarHBondContact O-N 2.71Å; A166-R170 WeakPolarHBondContact O-CA 3.49Å; A166-R170 WeakPolarHBondContact O-CB 3.47Å; A166-R170 PolarHBondContact O-N 3.41Å; A166-F175 HydrophobicContact CB-CB 3.7Å; A166-F175 HydrophobicContact CB-CD1 3.7Å; A166-F175 HydrophobicContact CB-CD2 3.91Å; A166-F175 HydrophobicContact CB-CE1 4.27Å; A166-F175 HydrophobicContact CB-CE2 4.45Å; A166-F175 HydrophobicContact CB-CG 3.5Å; A166-F175 VanDerWaalsContact CB-CG 3.5Å |
| 167 | D | 88.5 | Confident | 93.4 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.6 | -38.8 | 176 | -78.9 | -38.3 | 0 | 0 | 0 | 112.7 | R99 S127 L163 V165 | R99-D167 IonicContact NH1-OD1 3.46Å; R99-D167 PolarHBondContact NH1-OD1 2.62Å; S127-D167 WeakPolarHBondContact CB-OD1 3.26Å; S127-D167 PolarHBondContact OG-OD1 2.85Å; L163-D167 PolarHBondContact O-N 3.04Å; V165-D167 VanDerWaalsContact C-N 3.3Å; V165-D167 PolarHBondContact O-N 3.18Å |
| 168 | I | 87.8 | Confident | 93.5 | Very high | 83 Ų | 83 | 39 Ų | 39 | 43% | 0.426 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -81 | -39.6 | -176.4 | -64.1 | 168.8 | 0 | 0 | 0 | 112.2 | K164 V165 A166 | K164-I168 HydrophobicContact CG-CD1 4.36Å; K164-I168 WeakPolarHBondContact O-CG1 3.17Å; K164-I168 PolarHBondContact O-N 2.88Å; V165-I168 PolarHBondContact O-N 2.67Å; V165-I168 VanDerWaalsContact O-N 3.14Å; A166-I168 VanDerWaalsContact C-N 3.26Å; A166-I168 PolarHBondContact O-N 3.49Å |
| 169 | E | 90 | Very high | 93.5 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -106.6 | 6.4 | -169.1 | -56.7 | -69 | 168 | 0 | 0 | 113.7 | V165 A166 T171 K172 Y173 F175 K222 | V165-E169 HydrophobicContact CG1-CG 4.11Å; V165-E169 PolarHBondContact O-N 3.05Å; A166-E169 PolarHBondContact O-N 2.71Å; E169-T171 PolarHBondContact O-N 3.41Å; E169-T171 VanDerWaalsContact O-N 3.11Å; E169-K172 PolarHBondContact O-N 2.9Å; E169-K172 WeakPolarHBondContact OE2-CD 3.44Å; E169-K172 WeakPolarHBondContact OE2-CE 3.37Å; E169-K172 IonicContact OE2-NZ 2.81Å; E169-K172 PolarHBondContact OE2-NZ 3.35Å; E169-Y173 HydrophobicContact CB-CD2 3.9Å; E169-Y173 HydrophobicContact CB-CE2 4.22Å; E169-Y173 PolarHBondContact O-N 2.67Å; E169-Y173 VanDerWaalsContact O-N 3.08Å; E169-F175 HydrophobicContact CB-CE2 3.95Å; E169-F175 HydrophobicContact CB-CZ 3.89Å; E169-K222 HydrophobicContact CG-CG 4.34Å |
| 170 | R | 87.4 | Confident | 93.5 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.1 | -176.8 | 58.4 | -174.1 | -52.9 | -172.8 | 6.2 | 116 | L123 H124 G125 P126 A166 K172 | L123-R170 HydrophobicContact CD2-CG 3.9Å; L123-R170 PolarHBondContact O-NH1 2.98Å; L123-R170 PolarHBondContact O-NH2 3.32Å; H124-R170 PolarHBondContact O-NH2 3.34Å; G125-R170 PolarHBondContact O-NH1 3.15Å; G125-R170 PolarHBondContact O-NH2 3.49Å; P126-R170 PolarHBondContact O-NH2 3.26Å; A166-R170 WeakPolarHBondContact O-CA 3.49Å; A166-R170 WeakPolarHBondContact O-CB 3.47Å; A166-R170 PolarHBondContact O-N 3.41Å; R170-K172 VanDerWaalsContact C-N 3.27Å |
| 171 | T | 81.4 | Confident | 93.5 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23.3 | 174.8 | 53 | 0 | 0 | 0 | 0 | 112.1 | Y119 L123 E169 | Y119-T171 HydrophobicContact CE2-CG2 4.47Å; L123-T171 HydrophobicContact CD2-CG2 3.41Å; L123-T171 VanDerWaalsContact CD2-CG2 3.41Å; L123-T171 HydrophobicContact CG-CG2 4.27Å; E169-T171 PolarHBondContact O-N 3.41Å; E169-T171 VanDerWaalsContact O-N 3.11Å |
| 172 | K | 84.7 | Confident | 93.5 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 56% | 0.557 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -35.9 | -177.7 | -58 | -177.1 | -165.7 | 150.1 | 0 | 112.1 | E169 R170 | E169-K172 PolarHBondContact O-N 2.9Å; E169-K172 WeakPolarHBondContact OE2-CD 3.44Å; E169-K172 WeakPolarHBondContact OE2-CE 3.37Å; E169-K172 IonicContact OE2-NZ 2.81Å; E169-K172 PolarHBondContact OE2-NZ 3.35Å; R170-K172 VanDerWaalsContact C-N 3.27Å |
| 173 | Y | 89.8 | Confident | 93.4 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -133.9 | 150.7 | -171.3 | -43.1 | -53.5 | 0 | 0 | 0 | 112.5 | E169 F175 L225 I229 | E169-Y173 HydrophobicContact CB-CD2 3.9Å; E169-Y173 HydrophobicContact CB-CE2 4.22Å; E169-Y173 PolarHBondContact O-N 2.67Å; E169-Y173 VanDerWaalsContact O-N 3.08Å; Y173-F175 HydrophobicContact CD2-CE2 4.19Å; Y173-F175 AromaticContact CD2-CZ 3.95Å; Y173-F175 HydrophobicContact CD2-CZ 3.95Å; Y173-F175 HydrophobicContact CG-CE2 4.43Å; Y173-F175 HydrophobicContact CG-CZ 4.48Å; Y173-F175 VanDerWaalsContact O-CD2 3.25Å; Y173-F175 WeakPolarHBondContact O-CD2 3.34Å; Y173-L225 HydrophobicContact CD2-CD1 4.01Å; Y173-L225 HydrophobicContact CE2-CB 4.01Å; Y173-L225 HydrophobicContact CE2-CD1 4.17Å; Y173-I229 HydrophobicContact CD1-CD1 3.08Å; Y173-I229 HydrophobicContact CD2-CD1 4.42Å; Y173-I229 HydrophobicContact CE1-CD1 3.29Å; Y173-I229 HydrophobicContact CE1-CG2 4.09Å; Y173-I229 HydrophobicContact CG-CD1 3.71Å |
| 174 | R | 92.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.3 | 175 | -65.2 | 175.8 | 58 | -110.7 | 2.8 | 110 | F140 E145 S147 V148 | F140-R174 HydrophobicContact CE1-CB 4.4Å; F140-R174 HydrophobicContact CZ-CB 3.98Å; F140-R174 PolarHBondContact O-NH1 2.94Å; F140-R174 PolarHBondContact O-NH2 3.29Å; E145-R174 WeakPolarHBondContact OE2-CD 3.45Å; S147-R174 PolarHBondContact OG-NH1 3.41Å; V148-R174 PolarHBondContact N-O 2.95Å |
| 175 | F | 96.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.6 | 179.2 | -65 | -94.2 | 0 | 0 | 0 | 112.2 | S127 S128 K129 V148 F162 V165 A166 E169 Y173 L225 | S127-F175 WeakPolarHBondContact O-CB 3.19Å; S128-F175 WeakPolarHBondContact CA-O 3.31Å; K129-F175 PolarHBondContact N-O 3.08Å; V148-F175 HydrophobicContact CB-CD1 3.69Å; V148-F175 HydrophobicContact CB-CE1 3.79Å; V148-F175 HydrophobicContact CB-CG 4.4Å; V148-F175 HydrophobicContact CG1-CD1 3.95Å; V148-F175 HydrophobicContact CG1-CE1 3.8Å; V148-F175 HydrophobicContact CG2-CD1 4.41Å; V148-F175 HydrophobicContact CG2-CE1 4.14Å; V148-F175 HydrophobicContact CG2-CZ 4.47Å; V148-F175 CarbonylContact O-C 3.55Å; V148-F175 VanDerWaalsContact O-CA 3.26Å; V148-F175 WeakPolarHBondContact O-CA 3.47Å; F162-F175 AromaticContact CE2-CD1 3.66Å; F162-F175 HydrophobicContact CE2-CD1 3.66Å; F162-F175 HydrophobicContact CE2-CE1 4.2Å; F162-F175 HydrophobicContact CZ-CB 4.26Å; F162-F175 AromaticContact CZ-CD1 3.75Å; F162-F175 HydrophobicContact CZ-CD1 3.75Å; V165-F175 HydrophobicContact CG1-CE1 4.32Å; V165-F175 HydrophobicContact CG1-CZ 4.29Å; A166-F175 HydrophobicContact CB-CB 3.7Å; A166-F175 HydrophobicContact CB-CD1 3.7Å; A166-F175 HydrophobicContact CB-CD2 3.91Å; A166-F175 HydrophobicContact CB-CE1 4.27Å; A166-F175 HydrophobicContact CB-CE2 4.45Å; A166-F175 HydrophobicContact CB-CG 3.5Å; A166-F175 VanDerWaalsContact CB-CG 3.5Å; E169-F175 HydrophobicContact CB-CE2 3.95Å; E169-F175 HydrophobicContact CB-CZ 3.89Å; Y173-F175 HydrophobicContact CD2-CE2 4.19Å; Y173-F175 AromaticContact CD2-CZ 3.95Å; Y173-F175 HydrophobicContact CD2-CZ 3.95Å; Y173-F175 HydrophobicContact CG-CE2 4.43Å; Y173-F175 HydrophobicContact CG-CZ 4.48Å; Y173-F175 VanDerWaalsContact O-CD2 3.25Å; Y173-F175 WeakPolarHBondContact O-CD2 3.34Å; F175-L225 HydrophobicContact CE1-CD1 3.86Å; F175-L225 HydrophobicContact CZ-CD1 3.78Å |
| 176 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 168 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S128 K129 L131 F140 V148 I149 G150 F162 | S128-A176 WeakPolarHBondContact OG-CA 3.26Å; S128-A176 PolarHBondContact OG-N 2.74Å; S128-A176 PolarHBondContact OG-O 3.25Å; K129-A176 HydrophobicContact CB-CB 4.38Å; K129-A176 CarbonylContact O-C 3.53Å; K129-A176 WeakPolarHBondContact O-CA 3.16Å; K129-A176 WeakPolarHBondContact O-CB 3.24Å; L131-A176 HydrophobicContact CD1-CB 3.52Å; L131-A176 HydrophobicContact CD2-CB 4.31Å; L131-A176 HydrophobicContact CG-CB 3.86Å; F140-A176 HydrophobicContact CD1-CB 3.9Å; F140-A176 HydrophobicContact CD2-CB 4.1Å; F140-A176 HydrophobicContact CE1-CB 3.56Å; F140-A176 HydrophobicContact CE2-CB 3.79Å; F140-A176 HydrophobicContact CG-CB 4.15Å; F140-A176 HydrophobicContact CZ-CB 3.51Å; V148-A176 PolarHBondContact O-N 3.31Å; I149-A176 CarbonylContact C-O 3.47Å; I149-A176 VanDerWaalsContact CA-O 3.26Å; I149-A176 WeakPolarHBondContact CA-O 3.35Å; I149-A176 HydrophobicContact CG1-CB 4.25Å; I149-A176 HydrophobicContact CG2-CB 4.34Å; G150-A176 PolarHBondContact N-O 3.33Å; F162-A176 VanDerWaalsContact CE1-O 3.28Å; F162-A176 WeakPolarHBondContact CE1-O 3.27Å; F162-A176 WeakPolarHBondContact CZ-O 3.26Å |
| 177 | H | 98.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.069 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.3 | 170.5 | 61.1 | -77.4 | 0 | 0 | 0 | 110.6 | S128 K129 E130 L131 G150 F152 F162 F179 | S128-H177 PolarHBondContact O-CE1 2.94Å; S128-H177 PolarHBondContact OG-N 3.34Å; S128-H177 PolarHBondContact OG-ND1 3.21Å; K129-H177 PolarHBondContact O-N 2.79Å; E130-H177 CarbonylContact C-O 3.58Å; E130-H177 WeakPolarHBondContact CA-O 3.32Å; E130-H177 IonicContact OE2-NE2 2.73Å; L131-H177 PolarHBondContact N-O 2.92Å; G150-H177 CarbonylContact O-C 3.48Å; G150-H177 WeakPolarHBondContact O-CA 3.33Å; G150-H177 WeakPolarHBondContact O-CB 3.43Å; F152-H177 HydrophobicContact CD2-CB 4.26Å; F152-H177 HydrophobicContact CE2-CB 4.18Å; F162-H177 HydrophobicContact CE1-CB 4.03Å; H177-F179 AromaticContact CD2-CE2 3.54Å |
| 178 | T | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 147.1 | -179.3 | -172 | 0 | 0 | 0 | 0 | 110.9 | L131 F137 G150 L151 F152 D180 V183 | L131-T178 WeakPolarHBondContact O-CB 3.47Å; L131-T178 PolarHBondContact O-OG1 3.13Å; F137-T178 HydrophobicContact CD2-CG2 4.18Å; F137-T178 HydrophobicContact CE2-CG2 4.24Å; G150-T178 PolarHBondContact O-N 3.19Å; L151-T178 HydrophobicContact CG-CG2 4.05Å; F152-T178 PolarHBondContact N-O 3.15Å; T178-D180 WeakPolarHBondContact OG1-CB 3.44Å; T178-D180 PolarHBondContact OG1-N 3.43Å; T178-D180 VanDerWaalsContact OG1-N 3.11Å; T178-V183 HydrophobicContact CG2-CB 4.31Å; T178-V183 HydrophobicContact CG2-CG1 3.81Å |
| 179 | F | 97.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -114 | 6.7 | 168.9 | -55.8 | -82.6 | 0 | 0 | 0 | 111.8 | F152 K159 H177 P181 | F152-F179 HydrophobicContact CB-CD1 3.92Å; F152-F179 HydrophobicContact CB-CE1 3.6Å; F152-F179 HydrophobicContact CB-CZ 4.47Å; F152-F179 WeakPolarHBondContact O-CA 3.41Å; F152-F179 WeakPolarHBondContact O-CD1 3.3Å; K159-F179 HydrophobicContact CD-CE1 4.21Å; K159-F179 HydrophobicContact CD-CZ 3.83Å; H177-F179 AromaticContact CD2-CE2 3.54Å; F179-P181 VanDerWaalsContact O-CD 3.27Å; F179-P181 WeakPolarHBondContact O-CD 3.36Å | ||
| 180 | D | 97.7 | Very high | 94.4 | Very high | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | trans | -69 | 118 | -173 | 175.7 | 58.1 | 0 | 0 | 0 | 111.3 | T178 E182 V183 L184 | T178-D180 WeakPolarHBondContact OG1-CB 3.44Å; T178-D180 PolarHBondContact OG1-N 3.43Å; T178-D180 VanDerWaalsContact OG1-N 3.11Å; D180-E182 PolarHBondContact O-N 3.49Å; D180-E182 WeakPolarHBondContact OD2-CA 3.49Å; D180-E182 WeakPolarHBondContact OD2-CB 3.35Å; D180-E182 PolarHBondContact OD2-N 3.31Å; D180-V183 HydrophobicContact CB-CB 4.22Å; D180-V183 HydrophobicContact CB-CG2 4.01Å; D180-V183 PolarHBondContact O-N 3.38Å; D180-V183 VanDerWaalsContact OD2-CG2 3.32Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.42Å; D180-V183 PolarHBondContact OD2-N 3.38Å; D180-L184 WeakPolarHBondContact O-CG 3.2Å; D180-L184 PolarHBondContact O-N 2.87Å; D180-L184 VanDerWaalsContact O-N 3.07Å | ||
| 181 | P | 97 | Very high | 94.7 | Very high | 95 Ų | 95 | 59 Ų | 59 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61 | -27.4 | -177.6 | -24.6 | 35 | 0 | 0 | 0 | 114 | F179 K185 | F179-P181 VanDerWaalsContact O-CD 3.27Å; F179-P181 WeakPolarHBondContact O-CD 3.36Å; P181-K185 VanDerWaalsContact O-CB 3.23Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 3.41Å |
| 182 | E | 97.5 | Very high | 95.5 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 58% | 0.575 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72.5 | -41.1 | 178.3 | -56.5 | -163.7 | 135.5 | 0 | 0 | 111.5 | L134 D180 K185 K186 | L134-E182 HydrophobicContact CD1-CB 3.71Å; L134-E182 HydrophobicContact CG-CB 3.91Å; D180-E182 PolarHBondContact O-N 3.49Å; D180-E182 WeakPolarHBondContact OD2-CA 3.49Å; D180-E182 WeakPolarHBondContact OD2-CB 3.35Å; D180-E182 PolarHBondContact OD2-N 3.31Å; E182-K185 PolarHBondContact O-N 3.1Å; E182-K186 WeakPolarHBondContact O-CB 3.48Å; E182-K186 PolarHBondContact O-N 3.22Å |
| 183 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 170.9 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L134 F137 L151 T178 D180 K185 K186 Y187 | L134-V183 HydrophobicContact CD2-CB 4.36Å; L134-V183 HydrophobicContact CD2-CG2 3.68Å; L134-V183 HydrophobicContact CG-CG2 4.11Å; F137-V183 HydrophobicContact CB-CG2 3.75Å; F137-V183 HydrophobicContact CD1-CG1 4.39Å; F137-V183 HydrophobicContact CD2-CB 4.39Å; F137-V183 HydrophobicContact CD2-CG1 3.47Å; F137-V183 VanDerWaalsContact CD2-CG1 3.47Å; F137-V183 HydrophobicContact CD2-CG2 3.97Å; F137-V183 HydrophobicContact CE1-CG1 4.41Å; F137-V183 HydrophobicContact CE2-CG1 3.45Å; F137-V183 VanDerWaalsContact CE2-CG1 3.45Å; F137-V183 HydrophobicContact CG-CG1 3.94Å; F137-V183 HydrophobicContact CG-CG2 3.87Å; F137-V183 HydrophobicContact CZ-CG1 3.96Å; L151-V183 HydrophobicContact CD2-CG1 3.97Å; T178-V183 HydrophobicContact CG2-CB 4.31Å; T178-V183 HydrophobicContact CG2-CG1 3.81Å; D180-V183 HydrophobicContact CB-CB 4.22Å; D180-V183 HydrophobicContact CB-CG2 4.01Å; D180-V183 PolarHBondContact O-N 3.38Å; D180-V183 VanDerWaalsContact OD2-CG2 3.32Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.42Å; D180-V183 PolarHBondContact OD2-N 3.38Å; V183-K185 VanDerWaalsContact C-N 3.27Å; V183-K185 PolarHBondContact O-N 3.42Å; V183-K186 WeakPolarHBondContact O-CB 3.41Å; V183-K186 PolarHBondContact O-N 2.77Å; V183-K186 VanDerWaalsContact O-N 3.13Å; V183-Y187 HydrophobicContact CG1-CD2 4.12Å; V183-Y187 HydrophobicContact CG1-CE2 4.44Å; V183-Y187 WeakPolarHBondContact O-CD2 3.25Å; V183-Y187 PolarHBondContact O-N 2.93Å; V183-Y187 VanDerWaalsContact O-N 3.14Å |
| 184 | L | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 179.8 | -61.7 | -176.3 | 0 | 0 | 0 | 111 | L151 E153 D180 K188 L189 | L151-L184 HydrophobicContact CB-CD2 3.66Å; L151-L184 HydrophobicContact CD2-CD2 4.3Å; L151-L184 HydrophobicContact CG-CD2 4.35Å; E153-L184 HydrophobicContact CG-CD1 3.89Å; D180-L184 WeakPolarHBondContact O-CG 3.2Å; D180-L184 PolarHBondContact O-N 2.87Å; D180-L184 VanDerWaalsContact O-N 3.07Å; L184-K188 VanDerWaalsContact O-CA 3.29Å; L184-K188 WeakPolarHBondContact O-CA 3.22Å; L184-K188 PolarHBondContact O-N 3.41Å; L184-L189 WeakPolarHBondContact CB-O 3.38Å; L184-L189 PolarHBondContact O-N 3.49Å; L184-L189 VanDerWaalsContact O-N 3.17Å |
| 185 | K | 97.1 | Very high | 96.8 | Very high | 171 Ų | 171 | 46.8 Ų | 46.8 | 74% | 0.743 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.3 | -40.7 | 176.7 | -176.3 | -179.8 | 177.6 | -176.6 | 0 | 113.1 | P181 E182 V183 Y187 K188 | P181-K185 VanDerWaalsContact O-CB 3.23Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 3.41Å; E182-K185 PolarHBondContact O-N 3.1Å; V183-K185 VanDerWaalsContact C-N 3.27Å; V183-K185 PolarHBondContact O-N 3.42Å; K185-Y187 VanDerWaalsContact C-N 3.34Å; K185-Y187 PolarHBondContact O-N 2.96Å; K185-K188 PolarHBondContact O-N 2.82Å |
| 186 | K | 96.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 179 | 176 | 177.4 | 176.1 | 179.9 | 0 | 111.1 | L134 D138 E182 V183 | L134-K186 HydrophobicContact CD2-CB 4.36Å; L134-K186 HydrophobicContact CD2-CD 3.53Å; D138-K186 VanDerWaalsContact CG-NZ 3.28Å; D138-K186 IonicContact OD1-NZ 3.74Å; D138-K186 PolarHBondContact OD1-NZ 3.47Å; D138-K186 IonicContact OD2-NZ 2.81Å; D138-K186 PolarHBondContact OD2-NZ 2.81Å; E182-K186 WeakPolarHBondContact O-CB 3.48Å; E182-K186 PolarHBondContact O-N 3.22Å; V183-K186 WeakPolarHBondContact O-CB 3.41Å; V183-K186 PolarHBondContact O-N 2.77Å; V183-K186 VanDerWaalsContact O-N 3.13Å |
| 187 | Y | 94.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -90.5 | -12.8 | -179.3 | -68.8 | -80.3 | 0 | 0 | 0 | 113.8 | F137 I141 L151 V183 K185 L189 F196 M209 | F137-Y187 HydrophobicContact CD1-CE2 4.01Å; F137-Y187 HydrophobicContact CE1-CD2 4.18Å; F137-Y187 AromaticContact CE1-CE2 3.25Å; F137-Y187 HydrophobicContact CE1-CE2 3.25Å; F137-Y187 AromaticContact CE1-CZ 3.62Å; F137-Y187 WeakPolarHBondContact CE1-OH 3.44Å; F137-Y187 HydrophobicContact CZ-CD2 4.15Å; F137-Y187 AromaticContact CZ-CE2 3.65Å; F137-Y187 HydrophobicContact CZ-CE2 3.65Å; I141-Y187 WeakPolarHBondContact CD1-OH 3.35Å; L151-Y187 HydrophobicContact CD2-CD2 4.36Å; V183-Y187 HydrophobicContact CG1-CD2 4.12Å; V183-Y187 HydrophobicContact CG1-CE2 4.44Å; V183-Y187 WeakPolarHBondContact O-CD2 3.25Å; V183-Y187 PolarHBondContact O-N 2.93Å; V183-Y187 VanDerWaalsContact O-N 3.14Å; K185-Y187 VanDerWaalsContact C-N 3.34Å; K185-Y187 PolarHBondContact O-N 2.96Å; Y187-L189 VanDerWaalsContact C-N 3.29Å; Y187-F196 HydrophobicContact CD1-CE1 4.09Å; Y187-F196 HydrophobicContact CD1-CZ 4.3Å; Y187-F196 AromaticContact CE1-CE1 3.57Å; Y187-F196 HydrophobicContact CE1-CE1 3.57Å; Y187-F196 HydrophobicContact CE1-CZ 4.13Å; Y187-F196 AromaticContact CZ-CE1 3.88Å; Y187-M209 HydrophobicContact CD1-CE 4.04Å; Y187-M209 HydrophobicContact CD1-SD 3.85Å; Y187-M209 HydrophobicContact CE1-SD 4.16Å |
| 188 | K | 96 | Very high | 96.5 | Very high | 187 Ų | 187 | 46.9 Ų | 46.9 | 81% | 0.813 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 43.5 | -174.3 | -51.9 | 177.1 | -176.6 | 176.7 | 0 | 111.8 | L184 K185 | L184-K188 VanDerWaalsContact O-CA 3.29Å; L184-K188 WeakPolarHBondContact O-CA 3.22Å; L184-K188 PolarHBondContact O-N 3.41Å; K185-K188 PolarHBondContact O-N 2.82Å |
| 189 | L | 94.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | trans | -125.2 | 143 | -177.2 | -64.6 | 179.8 | 0 | 0 | 0 | 109.4 | L151 L184 Y187 D192 V194 | L151-L189 HydrophobicContact CD2-CB 4.19Å; L151-L189 HydrophobicContact CD2-CD1 4.37Å; L184-L189 WeakPolarHBondContact CB-O 3.38Å; L184-L189 PolarHBondContact O-N 3.49Å; L184-L189 VanDerWaalsContact O-N 3.17Å; Y187-L189 VanDerWaalsContact C-N 3.29Å; L189-D192 HydrophobicContact CB-CB 4.24Å; L189-D192 WeakPolarHBondContact CB-OD2 3.25Å; L189-D192 WeakPolarHBondContact CD2-OD2 3.5Å; L189-V194 HydrophobicContact CD1-CG2 3.54Å | ||
| 190 | T | 90.9 | Very high | 96 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -147.6 | 126.5 | -180 | 56 | 0 | 0 | 0 | 0 | 108.5 | E153 D192 | E153-T190 HydrophobicContact CG-CG2 3.95Å; E153-T190 WeakPolarHBondContact OE1-CG2 3.31Å; T190-D192 PolarHBondContact N-OD2 2.94Å; T190-D192 VanDerWaalsContact N-OD2 3.09Å |
| 191 | D | 94.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 52 | 56.8 | -173.3 | -68.2 | -18.6 | 0 | 0 | 0 | 113.2 | L151 F152 E153 L158 | L151-D191 CarbonylContact O-C 3.54Å; L151-D191 WeakPolarHBondContact O-CA 3.48Å; L151-D191 PolarHBondContact O-N 3.08Å; F152-D191 WeakPolarHBondContact CA-OD1 3.49Å; E153-D191 PolarHBondContact N-OD1 2.95Å; E153-D191 VanDerWaalsContact N-OD1 3.09Å; L158-D191 WeakPolarHBondContact CD2-O 3.4Å |
| 192 | D | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.1 | -176.8 | -74.5 | -62.8 | 0 | 0 | 0 | 112.6 | G150 L151 L189 T190 V194 R211 | G150-D192 CarbonylContact C-O 3.47Å; G150-D192 WeakPolarHBondContact CA-O 3.14Å; L151-D192 PolarHBondContact N-O 3.16Å; L151-D192 PolarHBondContact O-N 3.16Å; L189-D192 HydrophobicContact CB-CB 4.24Å; L189-D192 WeakPolarHBondContact CB-OD2 3.25Å; L189-D192 WeakPolarHBondContact CD2-OD2 3.5Å; T190-D192 PolarHBondContact N-OD2 2.94Å; T190-D192 VanDerWaalsContact N-OD2 3.09Å; D192-V194 HydrophobicContact CB-CG2 4.33Å; D192-R211 IonicContact OD1-CZ 2.67Å; D192-R211 IonicContact OD1-NE 3.89Å; D192-R211 PolarHBondContact OD1-NE 3.02Å; D192-R211 IonicContact OD1-NH2 3.87Å; D192-R211 PolarHBondContact OD1-NH2 3.31Å; D192-R211 IonicContact OD2-NE 3.71Å; D192-R211 IonicContact OD2-NH2 3.88Å |
| 193 | I | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129 | 167.3 | -57.3 | 168.5 | 0 | 0 | 0 | 107.6 | V148 F152 L158 F162 Y212 I221 | V148-I193 HydrophobicContact CG1-CG2 4.01Å; F152-I193 HydrophobicContact CZ-CG1 4.43Å; L158-I193 HydrophobicContact CD1-CD1 3.75Å; L158-I193 HydrophobicContact CD1-CG1 4.41Å; L158-I193 HydrophobicContact CD2-CG1 4.32Å; L158-I193 HydrophobicContact CG-CD1 4.05Å; L158-I193 HydrophobicContact CG-CG1 4.24Å; F162-I193 HydrophobicContact CB-CD1 3.88Å; F162-I193 HydrophobicContact CB-CG1 4.22Å; F162-I193 HydrophobicContact CD2-CB 4.44Å; F162-I193 HydrophobicContact CD2-CD1 3.9Å; F162-I193 HydrophobicContact CD2-CG1 3.82Å; F162-I193 HydrophobicContact CD2-CG2 3.81Å; F162-I193 HydrophobicContact CE2-CG2 3.97Å; F162-I193 HydrophobicContact CG-CD1 4.32Å; F162-I193 HydrophobicContact CG-CG1 4.3Å; I193-Y212 HydrophobicContact CB-CD1 4.43Å; I193-Y212 HydrophobicContact CD1-CD1 4.11Å; I193-Y212 WeakPolarHBondContact O-CB 3.42Å; I193-Y212 PolarHBondContact O-N 3.09Å; I193-I221 HydrophobicContact CD1-CD1 3.59Å; I193-I221 HydrophobicContact CD1-CG1 3.8Å; I193-I221 HydrophobicContact CD1-CG2 3.96Å |
| 194 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.3 | -173.7 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | V148 I149 L151 L189 D192 F196 M209 V210 | V148-V194 CarbonylContact C-O 3.49Å; V148-V194 WeakPolarHBondContact CA-O 3.37Å; I149-V194 PolarHBondContact N-O 3.37Å; I149-V194 PolarHBondContact O-N 3.43Å; L151-V194 HydrophobicContact CD1-CB 4.16Å; L151-V194 HydrophobicContact CD1-CG2 3.86Å; L189-V194 HydrophobicContact CD1-CG2 3.54Å; D192-V194 HydrophobicContact CB-CG2 4.33Å; V194-F196 HydrophobicContact CB-CD2 4.21Å; V194-F196 HydrophobicContact CB-CE2 3.59Å; V194-F196 HydrophobicContact CB-CZ 4.09Å; V194-F196 HydrophobicContact CG1-CD2 3.87Å; V194-F196 HydrophobicContact CG1-CE1 4.19Å; V194-F196 HydrophobicContact CG1-CE2 3.43Å; V194-F196 VanDerWaalsContact CG1-CE2 3.43Å; V194-F196 HydrophobicContact CG1-CG 4.43Å; V194-F196 HydrophobicContact CG1-CZ 3.6Å; V194-M209 HydrophobicContact CG1-CB 3.82Å; V194-M209 HydrophobicContact CG1-CG 4.19Å; V194-M209 HydrophobicContact CG1-SD 3.91Å; V194-V210 WeakPolarHBondContact CA-O 3.33Å |
| 195 | V | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.2 | 165.9 | 173.6 | 0 | 0 | 0 | 0 | 108.4 | M146 S147 V148 M209 V210 F224 L225 I229 | M146-V195 HydrophobicContact CE-CG1 3.28Å; S147-V195 CarbonylContact O-C 3.5Å; S147-V195 WeakPolarHBondContact O-CA 3.47Å; V148-V195 HydrophobicContact CG1-CG2 4.39Å; V148-V195 HydrophobicContact CG2-CG2 4.35Å; V195-M209 CarbonylContact O-C 3.56Å; V195-M209 WeakPolarHBondContact O-CA 3.48Å; V195-M209 VanDerWaalsContact O-CB 3.27Å; V195-M209 WeakPolarHBondContact O-CB 3.46Å; V195-V210 HydrophobicContact CB-CG1 3.75Å; V195-V210 HydrophobicContact CG1-CG1 4.34Å; V195-V210 HydrophobicContact CG2-CG1 4.39Å; V195-V210 PolarHBondContact N-O 3.23Å; V195-V210 PolarHBondContact O-N 3.28Å; V195-F224 HydrophobicContact CG2-CE1 3.79Å; V195-F224 HydrophobicContact CG2-CZ 3.97Å; V195-L225 HydrophobicContact CG2-CD2 3.65Å; V195-I229 HydrophobicContact CG1-CG1 3.92Å |
| 196 | F | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.3 | 173 | -68.5 | -90 | 0 | 0 | 0 | 110.1 | F137 I141 M146 S147 I149 L151 Y187 V194 M209 | F137-F196 HydrophobicContact CE1-CE1 4.48Å; F137-F196 HydrophobicContact CE1-CZ 4.27Å; F137-F196 HydrophobicContact CZ-CE1 4.28Å; F137-F196 AromaticContact CZ-CE2 3.83Å; F137-F196 HydrophobicContact CZ-CE2 3.83Å; F137-F196 AromaticContact CZ-CZ 3.64Å; F137-F196 HydrophobicContact CZ-CZ 3.64Å; I141-F196 HydrophobicContact CB-CB 4.39Å; I141-F196 HydrophobicContact CG2-CB 3.93Å; I141-F196 HydrophobicContact CG2-CD1 4.24Å; I141-F196 HydrophobicContact CG2-CD2 4.11Å; I141-F196 HydrophobicContact CG2-CG 3.83Å; M146-F196 VanDerWaalsContact CE-O 3.24Å; M146-F196 WeakPolarHBondContact CE-O 3.42Å; S147-F196 PolarHBondContact N-O 3.12Å; S147-F196 VanDerWaalsContact N-O 3.12Å; S147-F196 PolarHBondContact O-N 3.1Å; I149-F196 HydrophobicContact CB-CD2 4.22Å; I149-F196 HydrophobicContact CB-CE2 4.03Å; I149-F196 HydrophobicContact CD1-CD2 3.84Å; I149-F196 HydrophobicContact CD1-CE2 4.05Å; I149-F196 HydrophobicContact CG1-CD2 3.93Å; I149-F196 HydrophobicContact CG1-CE2 4.2Å; L151-F196 HydrophobicContact CD1-CE2 4.23Å; Y187-F196 HydrophobicContact CD1-CE1 4.09Å; Y187-F196 HydrophobicContact CD1-CZ 4.3Å; Y187-F196 AromaticContact CE1-CE1 3.57Å; Y187-F196 HydrophobicContact CE1-CE1 3.57Å; Y187-F196 HydrophobicContact CE1-CZ 4.13Å; Y187-F196 AromaticContact CZ-CE1 3.88Å; V194-F196 HydrophobicContact CB-CD2 4.21Å; V194-F196 HydrophobicContact CB-CE2 3.59Å; V194-F196 HydrophobicContact CB-CZ 4.09Å; V194-F196 HydrophobicContact CG1-CD2 3.87Å; V194-F196 HydrophobicContact CG1-CE1 4.19Å; V194-F196 HydrophobicContact CG1-CE2 3.43Å; V194-F196 VanDerWaalsContact CG1-CE2 3.43Å; V194-F196 HydrophobicContact CG1-CG 4.43Å; V194-F196 HydrophobicContact CG1-CZ 3.6Å; F196-M209 HydrophobicContact CD1-CB 3.89Å; F196-M209 HydrophobicContact CD1-SD 4.29Å; F196-M209 HydrophobicContact CE1-CB 4.07Å; F196-M209 HydrophobicContact CE1-CG 4.43Å; F196-M209 HydrophobicContact CE1-SD 3.52Å; F196-M209 VanDerWaalsContact CE1-SD 3.52Å; F196-M209 HydrophobicContact CG-CB 4.43Å; F196-M209 HydrophobicContact CZ-SD 3.95Å |
| 197 | W | 95.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | trans | -83.6 | 143.5 | 173.3 | -65.9 | -68.9 | 0 | 0 | 0 | 110.8 | M146 H202 E206 E207 P208 V210 E228 I229 | M146-W197 HydrophobicContact CE-CB 4.25Å; M146-W197 HydrophobicContact CE-CG 3.73Å; M146-W197 VanDerWaalsContact CE-NE1 3.32Å; M146-W197 HydrophobicContact SD-CB 4.33Å; M146-W197 HydrophobicContact SD-CG 4.13Å; W197-H202 PolarHBondContact O-NE2 2.94Å; W197-E206 HydrophobicContact CE3-CG 4.49Å; W197-E206 WeakPolarHBondContact CH2-OE2 3.48Å; W197-E206 HydrophobicContact CZ3-CB 4.36Å; W197-E206 HydrophobicContact CZ3-CG 3.96Å; W197-E207 WeakPolarHBondContact CZ3-O 3.35Å; W197-P208 VanDerWaalsContact CE3-C 3.49Å; W197-P208 PolarHBondContact N-O 2.87Å; W197-P208 VanDerWaalsContact N-O 3.16Å; W197-V210 HydrophobicContact CH2-CB 3.96Å; W197-V210 HydrophobicContact CH2-CG1 3.95Å; W197-V210 HydrophobicContact CZ2-CB 4.33Å; W197-V210 HydrophobicContact CZ2-CG1 3.8Å; W197-E228 WeakPolarHBondContact CZ2-O 3.49Å; W197-I229 PolarHBondContact NE1-O 3.13Å | ||
| 198 | P | 93.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | trans | -52.2 | 145.3 | 171 | -27.7 | 34.2 | 0 | 0 | 0 | 111.7 | M146 S200 Y201 H202 | M146-P198 WeakPolarHBondContact SD-CD 3.46Å; M146-P198 HydrophobicContact SD-CG 4.34Å; P198-S200 PolarHBondContact O-N 2.77Å; P198-Y201 HydrophobicContact CG-CD2 4.39Å; P198-Y201 HydrophobicContact CG-CE2 4.45Å; P198-Y201 WeakPolarHBondContact O-CB 3.18Å; P198-Y201 PolarHBondContact O-N 2.71Å; P198-H202 PolarHBondContact O-CD2 3.38Å; P198-H202 VanDerWaalsContact O-CD2 3.26Å | ||
| 199 | K | 93.8 | Very high | 95.2 | Very high | 127 Ų | 127 | 47.7 Ų | 47.7 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -52.1 | -33.4 | 177.9 | -74.9 | 174.8 | 169.7 | 163.5 | 0 | 113.3 | D142 Y201 H202 | D142-K199 WeakPolarHBondContact OD1-CD 3.32Å; D142-K199 WeakPolarHBondContact OD1-CE 3.29Å; D142-K199 IonicContact OD1-NZ 3.94Å; D142-K199 PolarHBondContact OD1-NZ 2.75Å; D142-K199 IonicContact OD2-NZ 2.71Å; D142-K199 PolarHBondContact OD2-NZ 3.07Å; K199-Y201 PolarHBondContact O-N 2.79Å; K199-H202 PolarHBondContact O-N 3.27Å |
| 200 | S | 92 | Very high | 95.3 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -64.1 | -19.1 | 177.5 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | P198 | P198-S200 PolarHBondContact O-N 2.77Š|
| 201 | Y | 93.2 | Very high | 95.6 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 14% | 0.137 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -99.7 | -7.6 | -178.7 | -66 | 5.1 | 0 | 0 | 0 | 112.8 | P198 K199 T203 H235 F257 R268 | P198-Y201 HydrophobicContact CG-CD2 4.39Å; P198-Y201 HydrophobicContact CG-CE2 4.45Å; P198-Y201 WeakPolarHBondContact O-CB 3.18Å; P198-Y201 PolarHBondContact O-N 2.71Å; K199-Y201 PolarHBondContact O-N 2.79Å; Y201-T203 WeakPolarHBondContact O-CG2 3.21Å; Y201-T203 PolarHBondContact O-N 3.1Å; Y201-H235 HydrophobicContact CE1-CB 4.41Å; Y201-H235 HydrophobicContact CE2-CB 4.16Å; Y201-H235 VanDerWaalsContact OH-CB 3.25Å; Y201-H235 WeakPolarHBondContact OH-CB 3.41Å; Y201-H235 PolarHBondContact OH-ND1 2.71Å; Y201-H235 VanDerWaalsContact OH-ND1 3.13Å; Y201-F257 AromaticContact CD1-CD1 3.8Å; Y201-F257 HydrophobicContact CD1-CD1 3.8Å; Y201-F257 HydrophobicContact CD1-CD2 4.37Å; Y201-F257 AromaticContact CD1-CE1 3.5Å; Y201-F257 HydrophobicContact CD1-CE1 3.5Å; Y201-F257 VanDerWaalsContact CD1-CE1 3.5Å; Y201-F257 HydrophobicContact CD1-CE2 4.11Å; Y201-F257 HydrophobicContact CD1-CG 4.22Å; Y201-F257 AromaticContact CD1-CZ 3.66Å; Y201-F257 HydrophobicContact CD1-CZ 3.66Å; Y201-F257 AromaticContact CE1-CD1 3.79Å; Y201-F257 HydrophobicContact CE1-CD1 3.79Å; Y201-F257 AromaticContact CE1-CD2 3.57Å; Y201-F257 HydrophobicContact CE1-CD2 3.57Å; Y201-F257 AromaticContact CE1-CE1 3.7Å; Y201-F257 HydrophobicContact CE1-CE1 3.7Å; Y201-F257 AromaticContact CE1-CE2 3.48Å; Y201-F257 HydrophobicContact CE1-CE2 3.48Å; Y201-F257 VanDerWaalsContact CE1-CE2 3.48Å; Y201-F257 AromaticContact CE1-CG 3.71Å; Y201-F257 HydrophobicContact CE1-CG 3.71Å; Y201-F257 AromaticContact CE1-CZ 3.53Å; Y201-F257 HydrophobicContact CE1-CZ 3.53Å; Y201-R268 PolarHBondContact O-NH1 2.81Å |
| 202 | H | 94.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | trans | -62.8 | 136.1 | -179 | -67.3 | -178.9 | 0 | 0 | 0 | 110.8 | W197 P198 K199 P208 | W197-H202 PolarHBondContact O-NE2 2.94Å; P198-H202 PolarHBondContact O-CD2 3.38Å; P198-H202 VanDerWaalsContact O-CD2 3.26Å; K199-H202 PolarHBondContact O-N 3.27Å; H202-P208 VanDerWaalsContact CE1-CB 3.46Å; H202-P208 WeakPolarHBondContact CE1-CB 3.29Å; H202-P208 WeakPolarHBondContact NE2-CB 3.26Å | ||
| 203 | T | 94.2 | Very high | 95.6 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | trans | -140.1 | -179.9 | 178.6 | 80.4 | 0 | 0 | 0 | 0 | 110.5 | Y201 F205 N269 M272 | Y201-T203 WeakPolarHBondContact O-CG2 3.21Å; Y201-T203 PolarHBondContact O-N 3.1Å; T203-F205 PolarHBondContact OG1-N 3.24Å; T203-N269 WeakPolarHBondContact CG2-OD1 3.34Å; T203-M272 HydrophobicContact CG2-CE 4.08Å; T203-M272 HydrophobicContact CG2-SD 3.55Å; T203-M272 VanDerWaalsContact CG2-SD 3.55Å | ||
| 204 | K | 95.1 | Very high | 95.4 | Very high | 188 Ų | 188 | 57.6 Ų | 57.6 | 82% | 0.817 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -90.4 | -0.9 | 171.3 | 67.9 | 176.6 | -178 | 179.6 | 0 | 113.8 | ||
| 205 | F | 95.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 21% | 0.211 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -93.8 | -19.5 | -174.3 | -61 | -77.2 | 0 | 0 | 0 | 112.7 | T203 L232 N269 M272 K273 K276 | T203-F205 PolarHBondContact OG1-N 3.24Å; F205-L232 HydrophobicContact CB-CD1 4.2Å; F205-L232 WeakPolarHBondContact O-CD1 3.42Å; F205-N269 HydrophobicContact CE2-CB 3.73Å; F205-N269 WeakPolarHBondContact CE2-O 3.32Å; F205-N269 HydrophobicContact CZ-CB 4.46Å; F205-N269 WeakPolarHBondContact CZ-O 3.3Å; F205-M272 HydrophobicContact CB-CB 4.2Å; F205-M272 HydrophobicContact CD2-CB 3.79Å; F205-M272 HydrophobicContact CD2-SD 4.14Å; F205-M272 HydrophobicContact CE2-CB 4.32Å; F205-M272 HydrophobicContact CG-CB 3.96Å; F205-K273 HydrophobicContact CE1-CB 4.03Å; F205-K273 HydrophobicContact CE1-CG 4.42Å; F205-K273 HydrophobicContact CZ-CB 4.26Å; F205-K276 HydrophobicContact CD1-CD 4.37Å |
| 206 | E | 95 | Very high | 95.2 | Very high | 30 Ų | 30 | 66 Ų | 66 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -147 | 156.7 | 175.5 | 60.1 | -169.3 | 155.4 | 0 | 0 | 109.2 | W197 G231 L232 M272 | W197-E206 HydrophobicContact CE3-CG 4.49Å; W197-E206 WeakPolarHBondContact CH2-OE2 3.48Å; W197-E206 HydrophobicContact CZ3-CB 4.36Å; W197-E206 HydrophobicContact CZ3-CG 3.96Å; E206-G231 WeakPolarHBondContact OE2-CA 3.32Å; E206-L232 HydrophobicContact CB-CD1 3.98Å; E206-L232 HydrophobicContact CB-CG 4.33Å; E206-L232 HydrophobicContact CG-CD1 4.45Å; E206-L232 PolarHBondContact OE1-N 3.22Å; E206-L232 WeakPolarHBondContact OE2-CG 3.35Å; E206-L232 PolarHBondContact OE2-N 3.2Å; E206-M272 WeakPolarHBondContact OE1-CE 3.2Å |
| 207 | E | 95.4 | Very high | 95.2 | Very high | 141 Ų | 141 | 68.5 Ų | 68.5 | 66% | 0.659 | 34% | 0.336 | S | S | * | . | trans | -59.8 | 160.9 | 172.3 | -68.5 | -57.4 | 141.2 | 0 | 0 | 110.7 | W197 M209 | W197-E207 WeakPolarHBondContact CZ3-O 3.35Å; E207-M209 WeakPolarHBondContact CB-O 3.13Å; E207-M209 PolarHBondContact O-N 2.7Å | ||
| 208 | P | 95.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.7 | -3.1 | 177.6 | 30.2 | -36.3 | 0 | 0 | 0 | 113.7 | W197 H202 | W197-P208 VanDerWaalsContact CE3-C 3.49Å; W197-P208 PolarHBondContact N-O 2.87Å; W197-P208 VanDerWaalsContact N-O 3.16Å; H202-P208 VanDerWaalsContact CE1-CB 3.46Å; H202-P208 WeakPolarHBondContact CE1-CB 3.29Å; H202-P208 WeakPolarHBondContact NE2-CB 3.26Å |
| 209 | M | 96.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 73 Ų | 73 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159.8 | -177 | 64.6 | 179.7 | -174.7 | 0 | 0 | 110.6 | Y187 V194 V195 F196 E207 | Y187-M209 HydrophobicContact CD1-CE 4.04Å; Y187-M209 HydrophobicContact CD1-SD 3.85Å; Y187-M209 HydrophobicContact CE1-SD 4.16Å; V194-M209 HydrophobicContact CG1-CB 3.82Å; V194-M209 HydrophobicContact CG1-CG 4.19Å; V194-M209 HydrophobicContact CG1-SD 3.91Å; V195-M209 CarbonylContact O-C 3.56Å; V195-M209 WeakPolarHBondContact O-CA 3.48Å; V195-M209 VanDerWaalsContact O-CB 3.27Å; V195-M209 WeakPolarHBondContact O-CB 3.46Å; F196-M209 HydrophobicContact CD1-CB 3.89Å; F196-M209 HydrophobicContact CD1-SD 4.29Å; F196-M209 HydrophobicContact CE1-CB 4.07Å; F196-M209 HydrophobicContact CE1-CG 4.43Å; F196-M209 HydrophobicContact CE1-SD 3.52Å; F196-M209 VanDerWaalsContact CE1-SD 3.52Å; F196-M209 HydrophobicContact CG-CB 4.43Å; F196-M209 HydrophobicContact CZ-SD 3.95Å; E207-M209 WeakPolarHBondContact CB-O 3.13Å; E207-M209 PolarHBondContact O-N 2.7Å |
| 210 | V | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.3 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | V194 V195 W197 F224 E228 | V194-V210 WeakPolarHBondContact CA-O 3.33Å; V195-V210 HydrophobicContact CB-CG1 3.75Å; V195-V210 HydrophobicContact CG1-CG1 4.34Å; V195-V210 HydrophobicContact CG2-CG1 4.39Å; V195-V210 PolarHBondContact N-O 3.23Å; V195-V210 PolarHBondContact O-N 3.28Å; W197-V210 HydrophobicContact CH2-CB 3.96Å; W197-V210 HydrophobicContact CH2-CG1 3.95Å; W197-V210 HydrophobicContact CZ2-CB 4.33Å; W197-V210 HydrophobicContact CZ2-CG1 3.8Å; V210-F224 HydrophobicContact CG1-CE2 4.35Å; V210-F224 HydrophobicContact CG1-CZ 4.18Å; V210-F224 HydrophobicContact CG2-CE2 4.1Å; V210-E228 HydrophobicContact CG1-CB 3.95Å; V210-E228 HydrophobicContact CG2-CB 4.34Å; V210-E228 HydrophobicContact CG2-CG 4.47Å |
| 211 | R | 97.1 | Very high | 95.8 | Very high | 145 Ų | 145 | 71.3 Ų | 71.3 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.8 | -178.3 | 176.2 | -173.7 | 168.1 | -168 | 5.5 | 110.1 | D192 | D192-R211 IonicContact OD1-CZ 2.67Å; D192-R211 IonicContact OD1-NE 3.89Å; D192-R211 PolarHBondContact OD1-NE 3.02Å; D192-R211 IonicContact OD1-NH2 3.87Å; D192-R211 PolarHBondContact OD1-NH2 3.31Å; D192-R211 IonicContact OD2-NE 3.71Å; D192-R211 IonicContact OD2-NH2 3.88Å |
| 212 | Y | 97.9 | Very high | 96 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 4% | 0.043 | 35% | 0.348 | C | S | . | . | trans | -72.1 | 125.5 | 167.2 | 179.1 | -117.5 | 0 | 0 | 0 | 110.6 | L158 I193 G214 N215 R220 I221 F224 | L158-Y212 HydrophobicContact CD1-CD1 4.43Å; L158-Y212 HydrophobicContact CD1-CE1 4.19Å; I193-Y212 HydrophobicContact CB-CD1 4.43Å; I193-Y212 HydrophobicContact CD1-CD1 4.11Å; I193-Y212 WeakPolarHBondContact O-CB 3.42Å; I193-Y212 PolarHBondContact O-N 3.09Å; Y212-G214 VanDerWaalsContact CE1-C 3.44Å; Y212-G214 WeakPolarHBondContact OH-CA 3.37Å; Y212-N215 WeakPolarHBondContact CE1-O 3.32Å; Y212-N215 PolarHBondContact OH-N 2.72Å; Y212-N215 PolarHBondContact OH-O 2.68Å; Y212-R220 HydrophobicContact CE2-CB 4.5Å; Y212-R220 WeakPolarHBondContact OH-CB 3.36Å; Y212-I221 HydrophobicContact CD1-CG1 4.23Å; Y212-I221 HydrophobicContact CE1-CG1 3.64Å; Y212-I221 HydrophobicContact CE2-CG1 4.3Å; Y212-F224 HydrophobicContact CD2-CB 3.52Å; Y212-F224 AromaticContact CD2-CD1 3.74Å; Y212-F224 HydrophobicContact CD2-CD1 3.74Å; Y212-F224 AromaticContact CD2-CD2 3.9Å; Y212-F224 HydrophobicContact CD2-CD2 3.9Å; Y212-F224 HydrophobicContact CD2-CE1 4.43Å; Y212-F224 AromaticContact CD2-CG 3.44Å; Y212-F224 HydrophobicContact CD2-CG 3.44Å; Y212-F224 VanDerWaalsContact CD2-CG 3.44Å; Y212-F224 HydrophobicContact CE2-CB 3.78Å; Y212-F224 HydrophobicContact CE2-CG 4.23Å; Y212-F224 HydrophobicContact CG-CD1 4.17Å; Y212-F224 HydrophobicContact CG-CE1 4.5Å; Y212-F224 HydrophobicContact CG-CG 4.26Å | ||
| 213 | D | 94.4 | Very high | 96 | Very high | 137 Ų | 137 | 74.3 Ų | 74.3 | 73% | 0.733 | 36% | 0.359 | S | S | * | . | trans | -108.3 | 10.2 | -176.7 | 64.1 | -12.4 | 0 | 0 | 0 | 113.5 | ||||
| 214 | G | 93.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 73.7 Ų | 73.7 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -92.4 | -172.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y212 | Y212-G214 VanDerWaalsContact CE1-C 3.44Å; Y212-G214 WeakPolarHBondContact OH-CA 3.37Å |
| 215 | N | 95.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 64.7 Ų | 64.7 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -91.3 | -172.3 | 177.4 | 65.8 | -2.8 | 0 | 0 | 0 | 111.2 | Y212 D217 R220 | Y212-N215 WeakPolarHBondContact CE1-O 3.32Å; Y212-N215 PolarHBondContact OH-N 2.72Å; Y212-N215 PolarHBondContact OH-O 2.68Å; N215-D217 PolarHBondContact O-N 2.98Å; N215-D217 WeakPolarHBondContact OD1-CB 3.23Å; N215-D217 PolarHBondContact OD1-N 3.38Å; N215-R220 WeakPolarHBondContact OD1-CD 3.5Å | ||
| 216 | F | 96.5 | Very high | 95.9 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.6 | 18.9 | -179.8 | 60.4 | -94.4 | 0 | 0 | 0 | 114.8 | K157 L158 S161 S218 | K157-F216 HydrophobicContact CB-CB 4.01Å; K157-F216 HydrophobicContact CB-CD1 4.07Å; K157-F216 HydrophobicContact CB-CD2 4.22Å; K157-F216 HydrophobicContact CB-CG 3.83Å; K157-F216 HydrophobicContact CD-CD1 4.2Å; K157-F216 HydrophobicContact CD-CD2 4.46Å; K157-F216 HydrophobicContact CD-CE1 3.98Å; K157-F216 HydrophobicContact CD-CE2 4.27Å; K157-F216 HydrophobicContact CD-CG 4.45Å; K157-F216 HydrophobicContact CD-CZ 4.03Å; L158-F216 HydrophobicContact CD1-CB 4.35Å; S161-F216 WeakPolarHBondContact CB-O 3.36Å; S161-F216 PolarHBondContact OG-O 3.36Å; F216-S218 PolarHBondContact O-N 3.46Å |
| 217 | D | 97.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | trans | -76.1 | 114.2 | 176.9 | -177.9 | -29.9 | 0 | 0 | 0 | 110.5 | N215 D219 R220 I221 | N215-D217 PolarHBondContact O-N 2.98Å; N215-D217 WeakPolarHBondContact OD1-CB 3.23Å; N215-D217 PolarHBondContact OD1-N 3.38Å; D217-D219 PolarHBondContact O-N 2.96Å; D217-D219 WeakPolarHBondContact OD1-CB 3.42Å; D217-D219 PolarHBondContact OD1-N 3.4Å; D217-R220 HydrophobicContact CB-CB 4.07Å; D217-R220 HydrophobicContact CB-CG 3.84Å; D217-R220 WeakPolarHBondContact O-CB 3.4Å; D217-R220 PolarHBondContact O-N 3.05Å; D217-R220 PolarHBondContact OD1-N 3.49Å; D217-R220 IonicContact OD2-NE 3.07Å; D217-I221 PolarHBondContact O-N 3.32Å | ||
| 218 | S | 96.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.7 | -35.3 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | V165 F216 R220 I221 K222 | V165-S218 WeakPolarHBondContact CG2-O 3.46Å; F216-S218 PolarHBondContact O-N 3.46Å; S218-R220 VanDerWaalsContact C-N 3.33Å; S218-I221 PolarHBondContact O-N 2.83Å; S218-K222 WeakPolarHBondContact O-CG 3.32Å; S218-K222 PolarHBondContact O-N 3.3Å |
| 219 | D | 96.2 | Very high | 95.6 | Very high | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -30.7 | 179.7 | -69.5 | -28.5 | 0 | 0 | 0 | 111.3 | D217 K222 K223 | D217-D219 PolarHBondContact O-N 2.96Å; D217-D219 WeakPolarHBondContact OD1-CB 3.42Å; D217-D219 PolarHBondContact OD1-N 3.4Å; D219-K222 IonicContact OD1-NZ 3.55Å; D219-K223 WeakPolarHBondContact O-CB 3.12Å; D219-K223 VanDerWaalsContact O-CG 3.29Å; D219-K223 WeakPolarHBondContact O-CG 3.35Å; D219-K223 PolarHBondContact O-N 3.44Å |
| 220 | R | 97.8 | Very high | 95.5 | Very high | 134 Ų | 134 | 58.4 Ų | 58.4 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.1 | -38.8 | 171.7 | -65.7 | -173.1 | -172.5 | -158.6 | -5.3 | 111.9 | Y212 N215 D217 S218 K223 F224 | Y212-R220 HydrophobicContact CE2-CB 4.5Å; Y212-R220 WeakPolarHBondContact OH-CB 3.36Å; N215-R220 WeakPolarHBondContact OD1-CD 3.5Å; D217-R220 HydrophobicContact CB-CB 4.07Å; D217-R220 HydrophobicContact CB-CG 3.84Å; D217-R220 WeakPolarHBondContact O-CB 3.4Å; D217-R220 PolarHBondContact O-N 3.05Å; D217-R220 PolarHBondContact OD1-N 3.49Å; D217-R220 IonicContact OD2-NE 3.07Å; S218-R220 VanDerWaalsContact C-N 3.33Å; R220-K223 PolarHBondContact O-N 3.19Å; R220-F224 WeakPolarHBondContact O-CB 3.49Å; R220-F224 PolarHBondContact O-N 3.04Å |
| 221 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.9 | -63.2 | 162 | 0 | 0 | 0 | 109.8 | L158 V165 I193 Y212 D217 S218 K223 F224 L225 | L158-I221 HydrophobicContact CD1-CD1 4.18Å; V165-I221 HydrophobicContact CB-CG2 4.25Å; V165-I221 HydrophobicContact CG1-CG2 4.04Å; V165-I221 HydrophobicContact CG2-CB 4.06Å; V165-I221 HydrophobicContact CG2-CG2 4.03Å; I193-I221 HydrophobicContact CD1-CD1 3.59Å; I193-I221 HydrophobicContact CD1-CG1 3.8Å; I193-I221 HydrophobicContact CD1-CG2 3.96Å; Y212-I221 HydrophobicContact CD1-CG1 4.23Å; Y212-I221 HydrophobicContact CE1-CG1 3.64Å; Y212-I221 HydrophobicContact CE2-CG1 4.3Å; D217-I221 PolarHBondContact O-N 3.32Å; S218-I221 PolarHBondContact O-N 2.83Å; I221-K223 PolarHBondContact O-N 3.26Å; I221-F224 WeakPolarHBondContact O-CB 2.98Å; I221-F224 PolarHBondContact O-N 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 2.9Å |
| 222 | K | 96.2 | Very high | 95.4 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.9 | -71.5 | 174.8 | -176.1 | 174.3 | 0 | 112.5 | V165 E169 S218 D219 F224 L225 Q226 | V165-K222 HydrophobicContact CG1-CG 3.95Å; V165-K222 HydrophobicContact CG2-CG 4.03Å; E169-K222 HydrophobicContact CG-CG 4.34Å; S218-K222 WeakPolarHBondContact O-CG 3.32Å; S218-K222 PolarHBondContact O-N 3.3Å; D219-K222 IonicContact OD1-NZ 3.55Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.32Å; K222-L225 PolarHBondContact O-N 3.09Å; K222-Q226 WeakPolarHBondContact O-CG 3.44Å; K222-Q226 PolarHBondContact O-N 2.94Å |
| 223 | K | 95.3 | Very high | 95.3 | Very high | 138 Ų | 138 | 52 Ų | 52 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 177 | -76.8 | 174.1 | -176.6 | 176.3 | 0 | 111.8 | D219 R220 I221 Q226 S227 | D219-K223 WeakPolarHBondContact O-CB 3.12Å; D219-K223 VanDerWaalsContact O-CG 3.29Å; D219-K223 WeakPolarHBondContact O-CG 3.35Å; D219-K223 PolarHBondContact O-N 3.44Å; R220-K223 PolarHBondContact O-N 3.19Å; I221-K223 PolarHBondContact O-N 3.26Å; K223-Q226 PolarHBondContact O-N 3.4Å; K223-S227 WeakPolarHBondContact O-CB 3.19Å; K223-S227 PolarHBondContact O-N 3.44Å; K223-S227 PolarHBondContact O-OG 2.76Å |
| 224 | F | 96.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 174.4 | 158.7 | -102.3 | 0 | 0 | 0 | 112 | V195 V210 Y212 R220 I221 K222 Q226 S227 E228 | V195-F224 HydrophobicContact CG2-CE1 3.79Å; V195-F224 HydrophobicContact CG2-CZ 3.97Å; V210-F224 HydrophobicContact CG1-CE2 4.35Å; V210-F224 HydrophobicContact CG1-CZ 4.18Å; V210-F224 HydrophobicContact CG2-CE2 4.1Å; Y212-F224 HydrophobicContact CD2-CB 3.52Å; Y212-F224 AromaticContact CD2-CD1 3.74Å; Y212-F224 HydrophobicContact CD2-CD1 3.74Å; Y212-F224 AromaticContact CD2-CD2 3.9Å; Y212-F224 HydrophobicContact CD2-CD2 3.9Å; Y212-F224 HydrophobicContact CD2-CE1 4.43Å; Y212-F224 AromaticContact CD2-CG 3.44Å; Y212-F224 HydrophobicContact CD2-CG 3.44Å; Y212-F224 VanDerWaalsContact CD2-CG 3.44Å; Y212-F224 HydrophobicContact CE2-CB 3.78Å; Y212-F224 HydrophobicContact CE2-CG 4.23Å; Y212-F224 HydrophobicContact CG-CD1 4.17Å; Y212-F224 HydrophobicContact CG-CE1 4.5Å; Y212-F224 HydrophobicContact CG-CG 4.26Å; R220-F224 WeakPolarHBondContact O-CB 3.49Å; R220-F224 PolarHBondContact O-N 3.04Å; I221-F224 WeakPolarHBondContact O-CB 2.98Å; I221-F224 PolarHBondContact O-N 3.3Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.07Å; F224-S227 PolarHBondContact O-N 3.13Å; F224-S227 PolarHBondContact O-OG 3.3Å; F224-S227 VanDerWaalsContact O-OG 3.07Å; F224-E228 HydrophobicContact CD2-CB 4.21Å; F224-E228 HydrophobicContact CD2-CG 3.82Å; F224-E228 HydrophobicContact CE2-CB 4.01Å; F224-E228 HydrophobicContact CE2-CG 3.92Å; F224-E228 PolarHBondContact O-N 3.36Å |
| 225 | L | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 177.4 | -62.4 | -179.7 | 0 | 0 | 0 | 110.8 | V148 V165 Y173 F175 V195 I221 K222 S227 I229 | V148-L225 HydrophobicContact CB-CD2 4.42Å; V148-L225 HydrophobicContact CG1-CD1 4.45Å; V148-L225 HydrophobicContact CG1-CD2 3.57Å; V148-L225 HydrophobicContact CG2-CD2 3.9Å; V165-L225 HydrophobicContact CG1-CD1 3.96Å; Y173-L225 HydrophobicContact CD2-CD1 4.01Å; Y173-L225 HydrophobicContact CE2-CB 4.01Å; Y173-L225 HydrophobicContact CE2-CD1 4.17Å; F175-L225 HydrophobicContact CE1-CD1 3.86Å; F175-L225 HydrophobicContact CZ-CD1 3.78Å; V195-L225 HydrophobicContact CG2-CD2 3.65Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 2.9Å; K222-L225 PolarHBondContact O-N 3.09Å; L225-S227 VanDerWaalsContact C-N 3.26Å; L225-S227 PolarHBondContact O-N 3.44Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 WeakPolarHBondContact O-CG2 3.46Å; L225-I229 PolarHBondContact O-N 3.1Å |
| 226 | Q | 91.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59 | -34.7 | 178 | -70.6 | 175.7 | -1 | 0 | 0 | 113.4 | K222 K223 F224 | K222-Q226 WeakPolarHBondContact O-CG 3.44Å; K222-Q226 PolarHBondContact O-N 2.94Å; K223-Q226 PolarHBondContact O-N 3.4Å; F224-Q226 PolarHBondContact O-N 3.07Å |
| 227 | S | 91.1 | Very high | 95.6 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 53% | 0.531 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -89.4 | -28.9 | -175.9 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | K223 F224 L225 | K223-S227 WeakPolarHBondContact O-CB 3.19Å; K223-S227 PolarHBondContact O-N 3.44Å; K223-S227 PolarHBondContact O-OG 2.76Å; F224-S227 PolarHBondContact O-N 3.13Å; F224-S227 PolarHBondContact O-OG 3.3Å; F224-S227 VanDerWaalsContact O-OG 3.07Å; L225-S227 VanDerWaalsContact C-N 3.26Å; L225-S227 PolarHBondContact O-N 3.44Å |
| 228 | E | 93.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -115.3 | -16 | -169.6 | -55.8 | -75.6 | 160.2 | 0 | 0 | 112.9 | W197 V210 F224 Y230 G231 K279 R280 | W197-E228 WeakPolarHBondContact CZ2-O 3.49Å; V210-E228 HydrophobicContact CG1-CB 3.95Å; V210-E228 HydrophobicContact CG2-CB 4.34Å; V210-E228 HydrophobicContact CG2-CG 4.47Å; F224-E228 HydrophobicContact CD2-CB 4.21Å; F224-E228 HydrophobicContact CD2-CG 3.82Å; F224-E228 HydrophobicContact CE2-CB 4.01Å; F224-E228 HydrophobicContact CE2-CG 3.92Å; F224-E228 PolarHBondContact O-N 3.36Å; E228-Y230 VanDerWaalsContact C-N 3.26Å; E228-Y230 PolarHBondContact O-N 3.32Å; E228-Y230 VanDerWaalsContact O-N 3.14Å; E228-G231 PolarHBondContact O-N 2.81Å; E228-K279 IonicContact OE1-NZ 3.07Å; E228-K279 WeakPolarHBondContact OE2-CE 3.33Å; E228-K279 IonicContact OE2-NZ 3.89Å; E228-K279 PolarHBondContact OE2-NZ 2.81Å; E228-R280 IonicContact OE1-CZ 3.88Å; E228-R280 IonicContact OE1-NE 2.67Å; E228-R280 PolarHBondContact OE1-NE 3.31Å; E228-R280 IonicContact OE1-NH2 2.66Å; E228-R280 PolarHBondContact OE1-NH2 2.78Å |
| 229 | I | 94.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.7 | -171.5 | -158.7 | 174.7 | 0 | 0 | 0 | 114.1 | M146 V148 Y173 V195 W197 L225 | M146-I229 HydrophobicContact CB-CD1 4.04Å; M146-I229 HydrophobicContact CB-CG1 4.14Å; M146-I229 HydrophobicContact CE-CG1 3.93Å; M146-I229 WeakPolarHBondContact CE-O 3.44Å; M146-I229 HydrophobicContact CG-CD1 4.44Å; M146-I229 HydrophobicContact CG-CG1 4.15Å; V148-I229 HydrophobicContact CG2-CD1 4.38Å; Y173-I229 HydrophobicContact CD1-CD1 3.08Å; Y173-I229 HydrophobicContact CD2-CD1 4.42Å; Y173-I229 HydrophobicContact CE1-CD1 3.29Å; Y173-I229 HydrophobicContact CE1-CG2 4.09Å; Y173-I229 HydrophobicContact CG-CD1 3.71Å; V195-I229 HydrophobicContact CG1-CG1 3.92Å; W197-I229 PolarHBondContact NE1-O 3.13Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 WeakPolarHBondContact O-CG2 3.46Å; L225-I229 PolarHBondContact O-N 3.1Å |
| 230 | Y | 94.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.2 | 179.9 | -61 | -64 | 0 | 0 | 0 | 114 | E228 G234 G243 F244 | E228-Y230 VanDerWaalsContact C-N 3.26Å; E228-Y230 PolarHBondContact O-N 3.32Å; E228-Y230 VanDerWaalsContact O-N 3.14Å; Y230-G234 WeakPolarHBondContact O-CA 3.33Å; Y230-G234 PolarHBondContact O-N 3Å; Y230-G243 WeakPolarHBondContact CE2-O 3.43Å; Y230-F244 HydrophobicContact CD1-CE1 4.17Å; Y230-F244 AromaticContact CD1-CE2 3.95Å; Y230-F244 HydrophobicContact CD1-CE2 3.95Å; Y230-F244 AromaticContact CD1-CZ 3.55Å; Y230-F244 HydrophobicContact CD1-CZ 3.55Å; Y230-F244 HydrophobicContact CD2-CD1 4.35Å; Y230-F244 HydrophobicContact CD2-CE1 4.16Å; Y230-F244 HydrophobicContact CD2-CE2 4.33Å; Y230-F244 HydrophobicContact CD2-CZ 4.15Å; Y230-F244 AromaticContact CE1-CE2 3.89Å; Y230-F244 HydrophobicContact CE1-CE2 3.89Å; Y230-F244 AromaticContact CE1-CZ 3.99Å; Y230-F244 HydrophobicContact CE1-CZ 3.99Å; Y230-F244 HydrophobicContact CE2-CD2 4.38Å; Y230-F244 HydrophobicContact CE2-CE2 4.29Å; Y230-F244 HydrophobicContact CG-CD1 4.41Å; Y230-F244 AromaticContact CG-CE1 3.78Å; Y230-F244 HydrophobicContact CG-CE1 3.78Å; Y230-F244 HydrophobicContact CG-CE2 4.17Å; Y230-F244 AromaticContact CG-CZ 3.64Å; Y230-F244 HydrophobicContact CG-CZ 3.64Å |
| 231 | G | 94.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | trans | 62.2 | -159.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E206 E228 C233 | E206-G231 WeakPolarHBondContact OE2-CA 3.32Å; E228-G231 PolarHBondContact O-N 2.81Å; G231-C233 VanDerWaalsContact C-N 3.32Å; G231-C233 PolarHBondContact O-N 3.23Å | ||
| 232 | L | 96.1 | Very high | 94 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -68 | -30.1 | 179.2 | -75.2 | 179 | 0 | 0 | 0 | 113.4 | F205 E206 M272 K276 K279 F284 | F205-L232 HydrophobicContact CB-CD1 4.2Å; F205-L232 WeakPolarHBondContact O-CD1 3.42Å; E206-L232 HydrophobicContact CB-CD1 3.98Å; E206-L232 HydrophobicContact CB-CG 4.33Å; E206-L232 HydrophobicContact CG-CD1 4.45Å; E206-L232 PolarHBondContact OE1-N 3.22Å; E206-L232 WeakPolarHBondContact OE2-CG 3.35Å; E206-L232 PolarHBondContact OE2-N 3.2Å; L232-M272 HydrophobicContact CB-CE 4.26Å; L232-M272 HydrophobicContact CB-CG 4.48Å; L232-K276 HydrophobicContact CD1-CB 3.96Å; L232-K279 HydrophobicContact CD2-CB 4.26Å; L232-K279 HydrophobicContact CD2-CD 4.32Å; L232-K279 HydrophobicContact CD2-CG 4.04Å; L232-F284 WeakPolarHBondContact O-CB 3.22Å |
| 233 | C | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -152 | 98.6 | 177.8 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | G231 R268 M272 F284 | G231-C233 VanDerWaalsContact C-N 3.32Å; G231-C233 PolarHBondContact O-N 3.23Å; C233-R268 HydrophobicContact CB-CG 4.37Å; C233-R268 VanDerWaalsContact O-CZ 3.24Å; C233-R268 PolarHBondContact O-NE 2.95Å; C233-R268 PolarHBondContact O-NH2 3Å; C233-M272 HydrophobicContact CB-CE 3.77Å; C233-M272 HydrophobicContact CB-CG 3.52Å; C233-M272 HydrophobicContact CB-SD 4.43Å; C233-F284 CarbonylContact C-O 3.53Å; C233-F284 VanDerWaalsContact CA-O 3.3Å; C233-F284 WeakPolarHBondContact CA-O 3.39Å; C233-F284 HydrophobicContact CB-CB 4.21Å |
| 234 | G | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 163.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y230 F284 A285 V286 | Y230-G234 WeakPolarHBondContact O-CA 3.33Å; Y230-G234 PolarHBondContact O-N 3Å; G234-F284 PolarHBondContact N-O 3.23Å; G234-A285 CarbonylContact O-C 3.41Å; G234-A285 WeakPolarHBondContact O-CA 3.25Å; G234-V286 PolarHBondContact O-N 3.29Å |
| 235 | H | 96.7 | Very high | 93.5 | Very high | 35 Ų | 35 | 47 Ų | 47 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 105.9 | 167.3 | -179.9 | -148.2 | 0 | 0 | 0 | 109.2 | Y201 N240 F257 | Y201-H235 HydrophobicContact CE1-CB 4.41Å; Y201-H235 HydrophobicContact CE2-CB 4.16Å; Y201-H235 VanDerWaalsContact OH-CB 3.25Å; Y201-H235 WeakPolarHBondContact OH-CB 3.41Å; Y201-H235 PolarHBondContact OH-ND1 2.71Å; Y201-H235 VanDerWaalsContact OH-ND1 3.13Å; H235-N240 PolarHBondContact O-ND2 3.47Å; H235-F257 HydrophobicContact CB-CE2 3.85Å; H235-F257 AromaticContact CG-CE2 3.73Å |
| 236 | R | 97.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.7 | 178.9 | -179.2 | 172.1 | 172.1 | -96.2 | -0.5 | 110 | N240 F244 Y252 A285 V286 S287 M292 E295 | R236-N240 WeakPolarHBondContact CA-OD1 3.44Å; R236-F244 HydrophobicContact CB-CD2 4.13Å; R236-F244 HydrophobicContact CB-CE1 4.43Å; R236-F244 HydrophobicContact CB-CE2 3.66Å; R236-F244 HydrophobicContact CB-CZ 3.83Å; R236-F244 HydrophobicContact CG-CD2 3.93Å; R236-F244 HydrophobicContact CG-CE2 3.91Å; R236-Y252 PolarHBondContact NH1-OH 2.99Å; R236-A285 HydrophobicContact CB-CB 3.78Å; R236-V286 PolarHBondContact N-O 3.28Å; R236-S287 WeakPolarHBondContact O-CA 3.38Å; R236-S287 VanDerWaalsContact O-CB 3.32Å; R236-S287 WeakPolarHBondContact O-CB 3.44Å; R236-S287 PolarHBondContact O-OG 3.43Å; R236-M292 HydrophobicContact CG-CE 4.43Å; R236-M292 VanDerWaalsContact CZ-CE 3.45Å; R236-E295 IonicContact CZ-OE1 3.2Å; R236-E295 IonicContact CZ-OE2 2.68Å; R236-E295 IonicContact NH1-OE1 3.77Å; R236-E295 PolarHBondContact NH1-OE1 3.01Å; R236-E295 IonicContact NH1-OE2 2.79Å; R236-E295 PolarHBondContact NH1-OE2 3.16Å; R236-E295 IonicContact NH2-OE1 3.26Å; R236-E295 IonicContact NH2-OE2 2.76Å; R236-E295 PolarHBondContact NH2-OE2 2.87Å |
| 237 | T | 95 | Very high | 93.8 | Very high | 32 Ų | 32 | 47 Ų | 47 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | trans | -119.7 | 174.7 | 175.3 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | D239 N240 S241 | T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 PolarHBondContact O-N 2.93Å; T237-D239 PolarHBondContact OG1-N 3.22Å; T237-N240 PolarHBondContact N-OD1 2.92Å; T237-N240 PolarHBondContact O-OD1 3.5Å; T237-N240 PolarHBondContact OG1-N 2.67Å; T237-N240 PolarHBondContact OG1-OD1 3.01Å; T237-S241 VanDerWaalsContact O-CB 3.27Å; T237-S241 WeakPolarHBondContact O-CB 3.4Å; T237-S241 PolarHBondContact O-N 3.08Å; T237-S241 VanDerWaalsContact O-N 3.12Å | ||
| 238 | M | 90.8 | Very high | 94.2 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 58% | 0.581 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -46.2 | 172.2 | -70 | -63.3 | -66.5 | 0 | 0 | 111.3 | N240 S241 M292 | M238-N240 PolarHBondContact O-N 3.23Å; M238-S241 PolarHBondContact O-OG 3.26Å; M238-M292 HydrophobicContact CG-SD 3.88Å; M238-M292 HydrophobicContact SD-CE 4.16Å; M238-M292 HydrophobicContact SD-SD 3.42Å |
| 239 | D | 86.3 | Confident | 94.5 | Very high | 156 Ų | 156 | 43.1 Ų | 43.1 | 83% | 0.834 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -31.7 | -174.4 | -62 | -13 | 0 | 0 | 0 | 114.2 | T237 | T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 PolarHBondContact O-N 2.93Å; T237-D239 PolarHBondContact OG1-N 3.22Å |
| 240 | N | 91.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 3.5 | -174.5 | 75.5 | 10.4 | 0 | 0 | 0 | 113.8 | H235 R236 T237 M238 D242 G243 F244 | H235-N240 PolarHBondContact O-ND2 3.47Å; R236-N240 WeakPolarHBondContact CA-OD1 3.44Å; T237-N240 PolarHBondContact N-OD1 2.92Å; T237-N240 PolarHBondContact O-OD1 3.5Å; T237-N240 PolarHBondContact OG1-N 2.67Å; T237-N240 PolarHBondContact OG1-OD1 3.01Å; M238-N240 PolarHBondContact O-N 3.23Å; N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact O-N 3.24Å; N240-G243 PolarHBondContact O-N 2.71Å; N240-F244 WeakPolarHBondContact O-CD2 3.25Å; N240-F244 WeakPolarHBondContact OD1-CE2 3.46Å |
| 241 | S | 93.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -57.7 | -38.1 | -172.9 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | T237 M238 G243 F244 | T237-S241 VanDerWaalsContact O-CB 3.27Å; T237-S241 WeakPolarHBondContact O-CB 3.4Å; T237-S241 PolarHBondContact O-N 3.08Å; T237-S241 VanDerWaalsContact O-N 3.12Å; M238-S241 PolarHBondContact O-OG 3.26Å; S241-G243 PolarHBondContact O-N 3.33Å; S241-F244 PolarHBondContact O-N 3.14Å |
| 242 | D | 89.3 | Confident | 95 | Very high | 157 Ų | 157 | 39.8 Ų | 39.8 | 84% | 0.84 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -68 | -16.5 | 177.1 | -71.2 | -27.6 | 0 | 0 | 0 | 113.6 | N240 F244 | N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact O-N 3.24Å; D242-F244 VanDerWaalsContact C-N 3.28Å; D242-F244 PolarHBondContact O-N 2.98Å |
| 243 | G | 90.7 | Very high | 95 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -73.7 | -18 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y230 N240 S241 | Y230-G243 WeakPolarHBondContact CE2-O 3.43Å; N240-G243 PolarHBondContact O-N 2.71Å; S241-G243 PolarHBondContact O-N 3.33Å |
| 244 | F | 94.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -86.7 | 120.3 | 179.3 | -69.8 | -97.4 | 0 | 0 | 0 | 110.6 | Y230 R236 N240 S241 D242 L248 A285 | Y230-F244 HydrophobicContact CD1-CE1 4.17Å; Y230-F244 AromaticContact CD1-CE2 3.95Å; Y230-F244 HydrophobicContact CD1-CE2 3.95Å; Y230-F244 AromaticContact CD1-CZ 3.55Å; Y230-F244 HydrophobicContact CD1-CZ 3.55Å; Y230-F244 HydrophobicContact CD2-CD1 4.35Å; Y230-F244 HydrophobicContact CD2-CE1 4.16Å; Y230-F244 HydrophobicContact CD2-CE2 4.33Å; Y230-F244 HydrophobicContact CD2-CZ 4.15Å; Y230-F244 AromaticContact CE1-CE2 3.89Å; Y230-F244 HydrophobicContact CE1-CE2 3.89Å; Y230-F244 AromaticContact CE1-CZ 3.99Å; Y230-F244 HydrophobicContact CE1-CZ 3.99Å; Y230-F244 HydrophobicContact CE2-CD2 4.38Å; Y230-F244 HydrophobicContact CE2-CE2 4.29Å; Y230-F244 HydrophobicContact CG-CD1 4.41Å; Y230-F244 AromaticContact CG-CE1 3.78Å; Y230-F244 HydrophobicContact CG-CE1 3.78Å; Y230-F244 HydrophobicContact CG-CE2 4.17Å; Y230-F244 AromaticContact CG-CZ 3.64Å; Y230-F244 HydrophobicContact CG-CZ 3.64Å; R236-F244 HydrophobicContact CB-CD2 4.13Å; R236-F244 HydrophobicContact CB-CE1 4.43Å; R236-F244 HydrophobicContact CB-CE2 3.66Å; R236-F244 HydrophobicContact CB-CZ 3.83Å; R236-F244 HydrophobicContact CG-CD2 3.93Å; R236-F244 HydrophobicContact CG-CE2 3.91Å; N240-F244 WeakPolarHBondContact O-CD2 3.25Å; N240-F244 WeakPolarHBondContact OD1-CE2 3.46Å; S241-F244 PolarHBondContact O-N 3.14Å; D242-F244 VanDerWaalsContact C-N 3.28Å; D242-F244 PolarHBondContact O-N 2.98Å; F244-L248 HydrophobicContact CB-CD1 4.16Å; F244-L248 HydrophobicContact CB-CD2 3.78Å; F244-L248 HydrophobicContact CD1-CD1 3.93Å; F244-L248 HydrophobicContact CG-CD1 4.42Å; F244-L248 HydrophobicContact CG-CD2 4.49Å; F244-A285 HydrophobicContact CD1-CB 4.02Å; F244-A285 HydrophobicContact CE1-CB 3.64Å; F244-A285 HydrophobicContact CZ-CB 4.22Å |
| 245 | K | 93.2 | Very high | 95 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -83.2 | 142.3 | 175.9 | -65.2 | -172.8 | -179.4 | 178 | 0 | 111.1 | ||
| 246 | N | 96.3 | Very high | 95 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -79.1 | 156.9 | 168 | -64.9 | -8.7 | 0 | 0 | 0 | 110 | L248 D316 | N246-L248 WeakPolarHBondContact OD1-CB 3.33Å; N246-D316 VanDerWaalsContact CB-O 3.22Å; N246-D316 WeakPolarHBondContact CB-O 3.28Å; N246-D316 PolarHBondContact ND2-O 2.97Å |
| 247 | P | 97.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 43 Ų | 43 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -63.1 | 135.7 | -6.9 | 26.7 | -34.9 | 0 | 0 | 0 | 112.6 | R281 V282 A283 F315 E317 F340 | P247-R281 VanDerWaalsContact CG-O 3.27Å; P247-R281 WeakPolarHBondContact CG-O 3.27Å; P247-V282 HydrophobicContact CB-CG2 4.37Å; P247-V282 HydrophobicContact CG-CB 4.36Å; P247-V282 WeakPolarHBondContact O-CA 3.44Å; P247-V282 WeakPolarHBondContact O-CG2 3.27Å; P247-A283 PolarHBondContact O-N 2.73Å; P247-F315 CarbonylContact C-O 3.52Å; P247-F315 VanDerWaalsContact CA-O 3.25Å; P247-F315 WeakPolarHBondContact CA-O 3.47Å; P247-E317 WeakPolarHBondContact CD-OE1 3.18Å; P247-F340 HydrophobicContact CB-CE1 3.77Å; P247-F340 HydrophobicContact CB-CZ 4.08Å |
| 248 | L | 98.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.1 | -172.7 | 173.4 | 67 | 0 | 0 | 0 | 110.6 | F244 N246 V250 A283 A285 A314 F315 | F244-L248 HydrophobicContact CB-CD1 4.16Å; F244-L248 HydrophobicContact CB-CD2 3.78Å; F244-L248 HydrophobicContact CD1-CD1 3.93Å; F244-L248 HydrophobicContact CG-CD1 4.42Å; F244-L248 HydrophobicContact CG-CD2 4.49Å; N246-L248 WeakPolarHBondContact OD1-CB 3.33Å; L248-V250 HydrophobicContact CD1-CG2 4.23Å; L248-V250 HydrophobicContact CD2-CG2 3.62Å; L248-V250 HydrophobicContact CG-CG2 3.67Å; L248-A283 CarbonylContact C-O 3.52Å; L248-A283 WeakPolarHBondContact CA-O 3.4Å; L248-A283 HydrophobicContact CD1-CB 3.69Å; L248-A285 HydrophobicContact CD1-CB 4.25Å; L248-A314 CarbonylContact O-C 3.59Å; L248-A314 VanDerWaalsContact O-CA 3.22Å; L248-A314 WeakPolarHBondContact O-CA 3.49Å; L248-F315 HydrophobicContact CB-CB 4.38Å; L248-F315 HydrophobicContact CB-CD2 4.47Å; L248-F315 HydrophobicContact CD2-CD2 4.27Å; L248-F315 HydrophobicContact CG-CD2 4.38Å; L248-F315 PolarHBondContact N-O 3.41Å; L248-F315 PolarHBondContact O-N 2.93Å |
| 249 | I | 98.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.6 | 171.3 | -65.5 | 172.4 | 0 | 0 | 0 | 109.4 | V282 A283 F284 A285 I312 V313 A314 L333 V337 F340 | I249-V282 HydrophobicContact CB-CG2 4.43Å; I249-V282 HydrophobicContact CD1-CG2 3.74Å; I249-V282 HydrophobicContact CG1-CG2 3.73Å; I249-A283 PolarHBondContact N-O 2.79Å; I249-F284 HydrophobicContact CB-CD1 3.81Å; I249-F284 HydrophobicContact CB-CE1 3.95Å; I249-F284 HydrophobicContact CB-CG 4.48Å; I249-F284 HydrophobicContact CD1-CE1 3.79Å; I249-F284 HydrophobicContact CD1-CZ 4.01Å; I249-F284 HydrophobicContact CG1-CE1 4.44Å; I249-F284 HydrophobicContact CG2-CD1 3.94Å; I249-F284 HydrophobicContact CG2-CE1 4.03Å; I249-F284 CarbonylContact O-C 3.39Å; I249-F284 VanDerWaalsContact O-CA 3.26Å; I249-F284 WeakPolarHBondContact O-CA 3.24Å; I249-A285 PolarHBondContact O-N 3.28Å; I249-I312 HydrophobicContact CG2-CG2 3.69Å; I249-V313 WeakPolarHBondContact CA-O 3.37Å; I249-A314 HydrophobicContact CG1-CB 3.87Å; I249-L333 HydrophobicContact CG2-CD1 4.28Å; I249-V337 HydrophobicContact CD1-CB 4.08Å; I249-V337 HydrophobicContact CD1-CG1 4.1Å; I249-V337 HydrophobicContact CD1-CG2 3.4Å; I249-F340 HydrophobicContact CD1-CD1 4.33Å; I249-F340 HydrophobicContact CG1-CD1 4.46Å |
| 250 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.2 | -178.3 | -170 | 0 | 0 | 0 | 0 | 110.2 | L248 Y252 A285 I312 V313 F315 | L248-V250 HydrophobicContact CD1-CG2 4.23Å; L248-V250 HydrophobicContact CD2-CG2 3.62Å; L248-V250 HydrophobicContact CG-CG2 3.67Å; V250-Y252 HydrophobicContact CB-CD2 4.37Å; V250-Y252 HydrophobicContact CB-CE2 3.54Å; V250-Y252 HydrophobicContact CG1-CD1 4.34Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE1 3.86Å; V250-Y252 HydrophobicContact CG1-CE2 3.51Å; V250-Y252 HydrophobicContact CG1-CG 4.44Å; V250-A285 CarbonylContact C-O 3.5Å; V250-A285 WeakPolarHBondContact CA-O 3.16Å; V250-A285 HydrophobicContact CG1-CB 4.42Å; V250-A285 HydrophobicContact CG2-CB 4.34Å; V250-I312 WeakPolarHBondContact O-CA 3.2Å; V250-V313 PolarHBondContact N-O 3.49Å; V250-V313 PolarHBondContact O-N 2.85Å; V250-F315 HydrophobicContact CB-CE2 4.19Å; V250-F315 HydrophobicContact CG2-CD2 4.09Å; V250-F315 HydrophobicContact CG2-CE2 3.65Å |
| 251 | A | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y253 I271 A285 V286 S287 P310 F311 I312 | A251-Y253 HydrophobicContact CB-CD1 4.4Å; A251-Y253 HydrophobicContact CB-CE1 4.29Å; A251-I271 HydrophobicContact CB-CD1 3.91Å; A251-I271 HydrophobicContact CB-CG1 4.07Å; A251-A285 PolarHBondContact N-O 3.07Å; A251-V286 HydrophobicContact CB-CG1 4.38Å; A251-V286 WeakPolarHBondContact O-CA 3.46Å; A251-S287 PolarHBondContact O-N 3.25Å; A251-P310 HydrophobicContact CB-CB 4.17Å; A251-F311 CarbonylContact C-O 3.55Å; A251-F311 WeakPolarHBondContact CA-O 3.19Å; A251-I312 HydrophobicContact CB-CD1 3.5Å |
| 252 | Y | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | -179.6 | -56.9 | -99.1 | 0 | 0 | 0 | 111.7 | R236 V250 S287 M292 E295 L296 P310 F311 V313 F315 | R236-Y252 PolarHBondContact NH1-OH 2.99Å; V250-Y252 HydrophobicContact CB-CD2 4.37Å; V250-Y252 HydrophobicContact CB-CE2 3.54Å; V250-Y252 HydrophobicContact CG1-CD1 4.34Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE1 3.86Å; V250-Y252 HydrophobicContact CG1-CE2 3.51Å; V250-Y252 HydrophobicContact CG1-CG 4.44Å; Y252-S287 WeakPolarHBondContact CA-O 3.22Å; Y252-M292 HydrophobicContact CD1-CB 4.05Å; Y252-M292 HydrophobicContact CD1-CG 4.28Å; Y252-M292 HydrophobicContact CE1-CB 3.92Å; Y252-M292 HydrophobicContact CE1-CG 4.03Å; Y252-E295 WeakPolarHBondContact CE1-OE1 3.31Å; Y252-E295 PolarHBondContact OH-OE1 3.24Å; Y252-L296 HydrophobicContact CD1-CD1 3.97Å; Y252-L296 HydrophobicContact CD1-CD2 3.99Å; Y252-L296 HydrophobicContact CD1-CG 3.99Å; Y252-L296 HydrophobicContact CD2-CD2 3.86Å; Y252-L296 HydrophobicContact CE1-CD2 4.44Å; Y252-L296 HydrophobicContact CE1-CG 4.45Å; Y252-L296 HydrophobicContact CE2-CD2 4.35Å; Y252-L296 HydrophobicContact CG-CD1 4.05Å; Y252-L296 HydrophobicContact CG-CD2 3.68Å; Y252-L296 HydrophobicContact CG-CG 4.14Å; Y252-P310 VanDerWaalsContact O-CA 3.27Å; Y252-P310 WeakPolarHBondContact O-CA 3.5Å; Y252-F311 PolarHBondContact N-O 2.78Å; Y252-F311 PolarHBondContact O-N 2.84Å; Y252-V313 HydrophobicContact CD2-CG2 4.03Å; Y252-V313 HydrophobicContact CE2-CB 3.86Å; Y252-V313 HydrophobicContact CE2-CG2 3.63Å; Y252-F315 WeakPolarHBondContact OH-CZ 3.27Å |
| 253 | Y | 96.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -169.3 | 176.9 | 60.2 | -78.4 | 0 | 0 | 0 | 109.1 | A251 V255 T264 I267 R268 V286 S287 N288 R289 P310 | A251-Y253 HydrophobicContact CB-CD1 4.4Å; A251-Y253 HydrophobicContact CB-CE1 4.29Å; Y253-V255 HydrophobicContact CD1-CG2 3.8Å; Y253-V255 HydrophobicContact CD2-CG2 3.9Å; Y253-V255 HydrophobicContact CE1-CG2 3.48Å; Y253-V255 VanDerWaalsContact CE1-CG2 3.48Å; Y253-V255 HydrophobicContact CE2-CG2 3.62Å; Y253-V255 HydrophobicContact CG-CG2 4Å; Y253-V255 PolarHBondContact O-N 2.86Å; Y253-T264 PolarHBondContact OH-O 2.85Å; Y253-I267 HydrophobicContact CD1-CD1 4.46Å; Y253-I267 HydrophobicContact CD1-CG2 3.95Å; Y253-I267 HydrophobicContact CD2-CB 4.37Å; Y253-I267 HydrophobicContact CD2-CD1 3.46Å; Y253-I267 VanDerWaalsContact CD2-CD1 3.46Å; Y253-I267 HydrophobicContact CD2-CG1 4.46Å; Y253-I267 HydrophobicContact CE1-CB 4.09Å; Y253-I267 HydrophobicContact CE1-CG2 3.53Å; Y253-I267 HydrophobicContact CE2-CB 3.77Å; Y253-I267 HydrophobicContact CE2-CD1 3.69Å; Y253-I267 HydrophobicContact CE2-CG1 4.24Å; Y253-I267 HydrophobicContact CE2-CG2 4.12Å; Y253-I267 HydrophobicContact CG-CD1 3.87Å; Y253-I267 HydrophobicContact CG-CG2 4.42Å; Y253-R268 PolarHBondContact OH-N 2.88Å; Y253-V286 HydrophobicContact CE1-CB 3.72Å; Y253-V286 HydrophobicContact CE1-CG1 3.68Å; Y253-V286 WeakPolarHBondContact OH-CG1 3.44Å; Y253-S287 PolarHBondContact N-O 3.27Å; Y253-N288 WeakPolarHBondContact O-CA 3.3Å; Y253-R289 PolarHBondContact O-N 3.5Å; Y253-P310 HydrophobicContact CD1-CB 3.8Å; Y253-P310 HydrophobicContact CG-CB 4.23Å |
| 254 | D | 95.3 | Very high | 96 | Very high | 73 Ų | 73 | 49 Ų | 49 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | trans | -78.9 | 61.2 | -178.3 | -52.7 | -53.3 | 0 | 0 | 0 | 111 | D256 R289 R309 | D254-D256 PolarHBondContact O-N 2.87Å; D254-R289 WeakPolarHBondContact OD1-CD 3.09Å; D254-R289 WeakPolarHBondContact OD1-CG 3.44Å; D254-R309 IonicContact OD1-NH1 2.6Å; D254-R309 IonicContact OD2-NH1 3.17Å; D254-R309 PolarHBondContact OD2-NH1 3.38Å | ||
| 255 | V | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -65.4 | 115.7 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | Y253 F257 T264 V286 S287 N288 | Y253-V255 HydrophobicContact CD1-CG2 3.8Å; Y253-V255 HydrophobicContact CD2-CG2 3.9Å; Y253-V255 HydrophobicContact CE1-CG2 3.48Å; Y253-V255 VanDerWaalsContact CE1-CG2 3.48Å; Y253-V255 HydrophobicContact CE2-CG2 3.62Å; Y253-V255 HydrophobicContact CG-CG2 4Å; Y253-V255 PolarHBondContact O-N 2.86Å; V255-F257 HydrophobicContact CG1-CD2 4.26Å; V255-F257 HydrophobicContact CG1-CE2 3.96Å; V255-T264 HydrophobicContact CG1-CG2 4.03Å; V255-V286 HydrophobicContact CG1-CG2 4.13Å; V255-V286 HydrophobicContact CG2-CB 3.85Å; V255-V286 HydrophobicContact CG2-CG2 4.09Å; V255-S287 WeakPolarHBondContact CG2-O 3.48Å; V255-N288 HydrophobicContact CB-CB 4.26Å; V255-N288 PolarHBondContact O-ND2 2.96Å | ||
| 256 | D | 96.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | trans | -152.6 | 109.7 | 172.1 | -170.2 | -32.2 | 0 | 0 | 0 | 108.3 | D254 D258 R259 N260 T264 | D254-D256 PolarHBondContact O-N 2.87Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 2.91Å; D256-D258 WeakPolarHBondContact OD1-CA 3.48Å; D256-D258 WeakPolarHBondContact OD1-CB 3.21Å; D256-D258 PolarHBondContact OD1-N 2.97Å; D256-R259 HydrophobicContact CB-CB 4.48Å; D256-R259 PolarHBondContact OD1-N 3.47Å; D256-R259 VanDerWaalsContact OD2-CB 3.24Å; D256-R259 WeakPolarHBondContact OD2-CB 3.32Å; D256-R259 VanDerWaalsContact OD2-CD 3.24Å; D256-R259 WeakPolarHBondContact OD2-CD 3.2Å; D256-R259 WeakPolarHBondContact OD2-CG 3.29Å; D256-N260 HydrophobicContact CB-CB 4.22Å; D256-N260 CarbonylContact O-C 3.47Å; D256-N260 WeakPolarHBondContact O-CA 3.31Å; D256-N260 PolarHBondContact O-N 2.83Å; D256-N260 VanDerWaalsContact O-N 3.13Å; D256-T264 VanDerWaalsContact C-OG1 3.3Å; D256-T264 PolarHBondContact N-OG1 3.11Å; D256-T264 PolarHBondContact O-OG1 3.31Å | ||
| 257 | F | 94.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.3 | 180 | -75 | -84.4 | 0 | 0 | 0 | 113.2 | Y201 H235 V255 P261 T264 | Y201-F257 AromaticContact CD1-CD1 3.8Å; Y201-F257 HydrophobicContact CD1-CD1 3.8Å; Y201-F257 HydrophobicContact CD1-CD2 4.37Å; Y201-F257 AromaticContact CD1-CE1 3.5Å; Y201-F257 HydrophobicContact CD1-CE1 3.5Å; Y201-F257 VanDerWaalsContact CD1-CE1 3.5Å; Y201-F257 HydrophobicContact CD1-CE2 4.11Å; Y201-F257 HydrophobicContact CD1-CG 4.22Å; Y201-F257 AromaticContact CD1-CZ 3.66Å; Y201-F257 HydrophobicContact CD1-CZ 3.66Å; Y201-F257 AromaticContact CE1-CD1 3.79Å; Y201-F257 HydrophobicContact CE1-CD1 3.79Å; Y201-F257 AromaticContact CE1-CD2 3.57Å; Y201-F257 HydrophobicContact CE1-CD2 3.57Å; Y201-F257 AromaticContact CE1-CE1 3.7Å; Y201-F257 HydrophobicContact CE1-CE1 3.7Å; Y201-F257 AromaticContact CE1-CE2 3.48Å; Y201-F257 HydrophobicContact CE1-CE2 3.48Å; Y201-F257 VanDerWaalsContact CE1-CE2 3.48Å; Y201-F257 AromaticContact CE1-CG 3.71Å; Y201-F257 HydrophobicContact CE1-CG 3.71Å; Y201-F257 AromaticContact CE1-CZ 3.53Å; Y201-F257 HydrophobicContact CE1-CZ 3.53Å; H235-F257 HydrophobicContact CB-CE2 3.85Å; H235-F257 AromaticContact CG-CE2 3.73Å; V255-F257 HydrophobicContact CG1-CD2 4.26Å; V255-F257 HydrophobicContact CG1-CE2 3.96Å; F257-P261 WeakPolarHBondContact O-CB 3.36Å; F257-T264 HydrophobicContact CD1-CG2 3.78Å; F257-T264 HydrophobicContact CD2-CG2 4Å; F257-T264 HydrophobicContact CE1-CG2 3.59Å; F257-T264 HydrophobicContact CE2-CG2 3.81Å; F257-T264 HydrophobicContact CG-CG2 3.99Å; F257-T264 HydrophobicContact CZ-CG2 3.62Å |
| 258 | D | 92.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -52.7 | -178 | -73.5 | -26.7 | 0 | 0 | 0 | 111.3 | K144 D256 | K144-D258 WeakPolarHBondContact CE-OD1 3.48Å; K144-D258 IonicContact NZ-OD1 3.5Å; K144-D258 PolarHBondContact NZ-OD1 2.88Å; K144-D258 IonicContact NZ-OD2 3.28Å; K144-D258 PolarHBondContact NZ-OD2 2.89Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 2.91Å; D256-D258 WeakPolarHBondContact OD1-CA 3.48Å; D256-D258 WeakPolarHBondContact OD1-CB 3.21Å; D256-D258 PolarHBondContact OD1-N 2.97Å |
| 259 | R | 94.8 | Very high | 96.2 | Very high | 223 Ų | 223 | 51.4 Ų | 51.4 | 84% | 0.842 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -27 | -176.5 | -52.5 | -179.2 | 178.5 | 178.1 | -0.5 | 112.7 | D256 | D256-R259 HydrophobicContact CB-CB 4.48Å; D256-R259 PolarHBondContact OD1-N 3.47Å; D256-R259 VanDerWaalsContact OD2-CB 3.24Å; D256-R259 WeakPolarHBondContact OD2-CB 3.32Å; D256-R259 VanDerWaalsContact OD2-CD 3.24Å; D256-R259 WeakPolarHBondContact OD2-CD 3.2Å; D256-R259 WeakPolarHBondContact OD2-CG 3.29Å |
| 260 | N | 93.1 | Very high | 96.2 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | trans | -135.7 | 46.8 | -175.6 | -162.5 | 7.3 | 0 | 0 | 0 | 114.8 | D256 K262 S263 T264 | D256-N260 HydrophobicContact CB-CB 4.22Å; D256-N260 CarbonylContact O-C 3.47Å; D256-N260 WeakPolarHBondContact O-CA 3.31Å; D256-N260 PolarHBondContact O-N 2.83Å; D256-N260 VanDerWaalsContact O-N 3.13Å; N260-K262 VanDerWaalsContact C-N 3.27Å; N260-K262 PolarHBondContact O-N 2.81Å; N260-K262 VanDerWaalsContact O-N 3.14Å; N260-S263 WeakPolarHBondContact ND2-CB 3.32Å; N260-S263 PolarHBondContact ND2-OG 2.98Å; N260-S263 PolarHBondContact O-N 3.32Å; N260-S263 WeakPolarHBondContact OD1-CB 3.32Å; N260-S263 PolarHBondContact OD1-OG 3.31Å; N260-T264 VanDerWaalsContact O-CB 3.28Å; N260-T264 WeakPolarHBondContact O-CB 3.08Å; N260-T264 PolarHBondContact O-N 3.26Å; N260-T264 PolarHBondContact O-OG1 3.06Å | ||
| 261 | P | 94.5 | Very high | 96.2 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.1 | -34.1 | -172.4 | 21.6 | -33.2 | 0 | 0 | 0 | 113.8 | F257 N265 | F257-P261 WeakPolarHBondContact O-CB 3.36Å; P261-N265 VanDerWaalsContact O-CB 3.26Å; P261-N265 WeakPolarHBondContact O-CB 3.41Å; P261-N265 PolarHBondContact O-N 3.44Å; P261-N265 PolarHBondContact O-ND2 3.5Å |
| 262 | K | 94.5 | Very high | 96.1 | Very high | 185 Ų | 185 | 54.7 Ų | 54.7 | 80% | 0.804 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.4 | -51.5 | -178.9 | -69.9 | -176.1 | -179.2 | 177.6 | 0 | 111.8 | N260 Y266 | N260-K262 VanDerWaalsContact C-N 3.27Å; N260-K262 PolarHBondContact O-N 2.81Å; N260-K262 VanDerWaalsContact O-N 3.14Å; K262-Y266 VanDerWaalsContact O-CB 3.31Å; K262-Y266 WeakPolarHBondContact O-CB 3.42Å; K262-Y266 PolarHBondContact O-N 2.91Å |
| 263 | S | 94 | Very high | 96.1 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.3 | -39.2 | -179.7 | -41.8 | 0 | 0 | 0 | 0 | 110.8 | N260 N265 Y266 I267 | N260-S263 WeakPolarHBondContact ND2-CB 3.32Å; N260-S263 PolarHBondContact ND2-OG 2.98Å; N260-S263 PolarHBondContact O-N 3.32Å; N260-S263 WeakPolarHBondContact OD1-CB 3.32Å; N260-S263 PolarHBondContact OD1-OG 3.31Å; S263-N265 PolarHBondContact O-N 3.48Å; S263-Y266 PolarHBondContact O-N 3.45Å; S263-I267 PolarHBondContact O-N 3.12Å |
| 264 | T | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -51.9 | -55.8 | 172.7 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | Y253 V255 D256 F257 N260 R268 | Y253-T264 PolarHBondContact OH-O 2.85Å; V255-T264 HydrophobicContact CG1-CG2 4.03Å; D256-T264 VanDerWaalsContact C-OG1 3.3Å; D256-T264 PolarHBondContact N-OG1 3.11Å; D256-T264 PolarHBondContact O-OG1 3.31Å; F257-T264 HydrophobicContact CD1-CG2 3.78Å; F257-T264 HydrophobicContact CD2-CG2 4Å; F257-T264 HydrophobicContact CE1-CG2 3.59Å; F257-T264 HydrophobicContact CE2-CG2 3.81Å; F257-T264 HydrophobicContact CG-CG2 3.99Å; F257-T264 HydrophobicContact CZ-CG2 3.62Å; N260-T264 VanDerWaalsContact O-CB 3.28Å; N260-T264 WeakPolarHBondContact O-CB 3.08Å; N260-T264 PolarHBondContact O-N 3.26Å; N260-T264 PolarHBondContact O-OG1 3.06Å; T264-R268 WeakPolarHBondContact O-CB 3.22Å; T264-R268 PolarHBondContact O-N 3.02Å; T264-R268 VanDerWaalsContact O-N 3.09Å |
| 265 | N | 96.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.6 | -29.7 | -178.6 | -76.1 | -50.4 | 0 | 0 | 0 | 113.3 | P261 S263 I267 N269 | P261-N265 VanDerWaalsContact O-CB 3.26Å; P261-N265 WeakPolarHBondContact O-CB 3.41Å; P261-N265 PolarHBondContact O-N 3.44Å; P261-N265 PolarHBondContact O-ND2 3.5Å; S263-N265 PolarHBondContact O-N 3.48Å; N265-I267 PolarHBondContact O-N 3.31Å; N265-N269 WeakPolarHBondContact O-CB 3.38Å; N265-N269 PolarHBondContact O-N 2.99Å; N265-N269 PolarHBondContact O-ND2 2.71Å |
| 266 | Y | 96.2 | Very high | 96.3 | Very high | 141 Ų | 141 | 60.9 Ų | 60.9 | 55% | 0.553 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.1 | -49.2 | 176 | 176.1 | -98 | 0 | 0 | 0 | 111.8 | K262 S263 R270 | K262-Y266 VanDerWaalsContact O-CB 3.31Å; K262-Y266 WeakPolarHBondContact O-CB 3.42Å; K262-Y266 PolarHBondContact O-N 2.91Å; S263-Y266 PolarHBondContact O-N 3.45Å; Y266-R270 PolarHBondContact O-N 3.36Å; Y266-R270 PolarHBondContact OH-NH1 3.22Å |
| 267 | I | 96.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.5 | -49.8 | 178.6 | -65.1 | 170.3 | 0 | 0 | 0 | 110.2 | Y253 S263 N265 N269 R270 I271 P310 | Y253-I267 HydrophobicContact CD1-CD1 4.46Å; Y253-I267 HydrophobicContact CD1-CG2 3.95Å; Y253-I267 HydrophobicContact CD2-CB 4.37Å; Y253-I267 HydrophobicContact CD2-CD1 3.46Å; Y253-I267 VanDerWaalsContact CD2-CD1 3.46Å; Y253-I267 HydrophobicContact CD2-CG1 4.46Å; Y253-I267 HydrophobicContact CE1-CB 4.09Å; Y253-I267 HydrophobicContact CE1-CG2 3.53Å; Y253-I267 HydrophobicContact CE2-CB 3.77Å; Y253-I267 HydrophobicContact CE2-CD1 3.69Å; Y253-I267 HydrophobicContact CE2-CG1 4.24Å; Y253-I267 HydrophobicContact CE2-CG2 4.12Å; Y253-I267 HydrophobicContact CG-CD1 3.87Å; Y253-I267 HydrophobicContact CG-CG2 4.42Å; S263-I267 PolarHBondContact O-N 3.12Å; N265-I267 PolarHBondContact O-N 3.31Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 2.47Å; I267-R270 WeakPolarHBondContact O-CA 3.39Å; I267-R270 WeakPolarHBondContact O-CB 3.27Å; I267-R270 PolarHBondContact O-N 2.81Å; I267-I271 HydrophobicContact CG2-CG1 4.44Å; I267-I271 PolarHBondContact O-N 3.35Å; I267-P310 HydrophobicContact CG2-CB 4.2Å; I267-P310 HydrophobicContact CG2-CG 3.8Å |
| 268 | R | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.2 | -43 | 179.4 | -176 | 175.4 | 176.1 | -105.6 | 2.7 | 112.5 | Y201 C233 Y253 T264 R270 I271 M272 V286 | Y201-R268 PolarHBondContact O-NH1 2.81Å; C233-R268 HydrophobicContact CB-CG 4.37Å; C233-R268 VanDerWaalsContact O-CZ 3.24Å; C233-R268 PolarHBondContact O-NE 2.95Å; C233-R268 PolarHBondContact O-NH2 3Å; Y253-R268 PolarHBondContact OH-N 2.88Å; T264-R268 WeakPolarHBondContact O-CB 3.22Å; T264-R268 PolarHBondContact O-N 3.02Å; T264-R268 VanDerWaalsContact O-N 3.09Å; R268-R270 VanDerWaalsContact C-N 3.3Å; R268-R270 PolarHBondContact O-N 3.28Å; R268-I271 WeakPolarHBondContact O-CB 3.24Å; R268-I271 PolarHBondContact O-N 2.94Å; R268-M272 HydrophobicContact CG-CE 4.49Å; R268-M272 HydrophobicContact CG-SD 4.3Å; R268-M272 WeakPolarHBondContact O-CG 3.24Å; R268-M272 PolarHBondContact O-N 2.99Å; R268-V286 HydrophobicContact CB-CG1 4.03Å; R268-V286 HydrophobicContact CG-CG1 4.07Å; R268-V286 HydrophobicContact CG-CG2 4.49Å |
| 269 | N | 97.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -33.6 | 176.8 | -78.1 | -28.5 | 0 | 0 | 0 | 113.3 | T203 F205 N265 I267 M272 K273 | T203-N269 WeakPolarHBondContact CG2-OD1 3.34Å; F205-N269 HydrophobicContact CE2-CB 3.73Å; F205-N269 WeakPolarHBondContact CE2-O 3.32Å; F205-N269 HydrophobicContact CZ-CB 4.46Å; F205-N269 WeakPolarHBondContact CZ-O 3.3Å; N265-N269 WeakPolarHBondContact O-CB 3.38Å; N265-N269 PolarHBondContact O-N 2.99Å; N265-N269 PolarHBondContact O-ND2 2.71Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 2.47Å; N269-M272 PolarHBondContact O-N 3.37Å; N269-K273 PolarHBondContact O-N 3.41Å |
| 270 | R | 98.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.6 | -36.7 | 174.9 | -69.9 | 173.3 | 62 | 145.2 | -3.5 | 111.5 | Y266 I267 R268 F328 V330 | Y266-R270 PolarHBondContact O-N 3.36Å; Y266-R270 PolarHBondContact OH-NH1 3.22Å; I267-R270 WeakPolarHBondContact O-CA 3.39Å; I267-R270 WeakPolarHBondContact O-CB 3.27Å; I267-R270 PolarHBondContact O-N 2.81Å; R268-R270 VanDerWaalsContact C-N 3.3Å; R268-R270 PolarHBondContact O-N 3.28Å; R270-F328 HydrophobicContact CB-CE1 4.14Å; R270-F328 HydrophobicContact CB-CZ 3.83Å; R270-V330 HydrophobicContact CB-CG2 4.11Å; R270-V330 HydrophobicContact CG-CG2 4.36Å |
| 271 | I | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -49.4 | 170.1 | -52.5 | -56.3 | 0 | 0 | 0 | 109.9 | A251 I267 R268 K273 V274 A275 F284 I312 F328 L333 | A251-I271 HydrophobicContact CB-CD1 3.91Å; A251-I271 HydrophobicContact CB-CG1 4.07Å; I267-I271 HydrophobicContact CG2-CG1 4.44Å; I267-I271 PolarHBondContact O-N 3.35Å; R268-I271 WeakPolarHBondContact O-CB 3.24Å; R268-I271 PolarHBondContact O-N 2.94Å; I271-K273 VanDerWaalsContact C-N 3.28Å; I271-K273 PolarHBondContact O-N 2.93Å; I271-V274 WeakPolarHBondContact O-CA 3.15Å; I271-V274 WeakPolarHBondContact O-CB 3.33Å; I271-V274 PolarHBondContact O-N 3.5Å; I271-A275 PolarHBondContact O-N 2.8Å; I271-F284 HydrophobicContact CG2-CB 4.19Å; I271-F284 HydrophobicContact CG2-CD1 3.7Å; I271-F284 HydrophobicContact CG2-CG 4.3Å; I271-I312 HydrophobicContact CD1-CD1 4.07Å; I271-F328 HydrophobicContact CD1-CD2 4.37Å; I271-F328 HydrophobicContact CD1-CE2 3.38Å; I271-F328 HydrophobicContact CD1-CZ 3.57Å; I271-L333 HydrophobicContact CB-CD2 4.43Å; I271-L333 HydrophobicContact CD1-CD2 3.64Å; I271-L333 HydrophobicContact CG2-CD2 4.2Å |
| 272 | M | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -33 | -179.7 | -74.9 | 178.8 | 151.2 | 0 | 0 | 114.1 | T203 F205 E206 L232 C233 R268 N269 V274 A275 K276 | T203-M272 HydrophobicContact CG2-CE 4.08Å; T203-M272 HydrophobicContact CG2-SD 3.55Å; T203-M272 VanDerWaalsContact CG2-SD 3.55Å; F205-M272 HydrophobicContact CB-CB 4.2Å; F205-M272 HydrophobicContact CD2-CB 3.79Å; F205-M272 HydrophobicContact CD2-SD 4.14Å; F205-M272 HydrophobicContact CE2-CB 4.32Å; F205-M272 HydrophobicContact CG-CB 3.96Å; E206-M272 WeakPolarHBondContact OE1-CE 3.2Å; L232-M272 HydrophobicContact CB-CE 4.26Å; L232-M272 HydrophobicContact CB-CG 4.48Å; C233-M272 HydrophobicContact CB-CE 3.77Å; C233-M272 HydrophobicContact CB-CG 3.52Å; C233-M272 HydrophobicContact CB-SD 4.43Å; R268-M272 HydrophobicContact CG-CE 4.49Å; R268-M272 HydrophobicContact CG-SD 4.3Å; R268-M272 WeakPolarHBondContact O-CG 3.24Å; R268-M272 PolarHBondContact O-N 2.99Å; N269-M272 PolarHBondContact O-N 3.37Å; M272-V274 PolarHBondContact O-N 2.66Å; M272-A275 PolarHBondContact O-N 2.97Å; M272-K276 PolarHBondContact O-N 2.83Å; M272-K276 VanDerWaalsContact O-N 3.08Å |
| 273 | K | 98 | Very high | 96.5 | Very high | 108 Ų | 108 | 55.5 Ų | 55.5 | 47% | 0.47 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 174.1 | -172.6 | 179.6 | 175.9 | -168.8 | 0 | 112.1 | F205 N269 I271 K276 V330 | F205-K273 HydrophobicContact CE1-CB 4.03Å; F205-K273 HydrophobicContact CE1-CG 4.42Å; F205-K273 HydrophobicContact CZ-CB 4.26Å; N269-K273 PolarHBondContact O-N 3.41Å; I271-K273 VanDerWaalsContact C-N 3.28Å; I271-K273 PolarHBondContact O-N 2.93Å; K273-K276 WeakPolarHBondContact O-CE 3.18Å; K273-V330 HydrophobicContact CD-CG1 4.08Å; K273-V330 HydrophobicContact CD-CG2 4.38Å; K273-V330 HydrophobicContact CG-CG1 4.46Å |
| 274 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.9 | -49.4 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | I271 M272 K276 D277 Y278 V330 L333 R334 V337 | I271-V274 WeakPolarHBondContact O-CA 3.15Å; I271-V274 WeakPolarHBondContact O-CB 3.33Å; I271-V274 PolarHBondContact O-N 3.5Å; M272-V274 PolarHBondContact O-N 2.66Å; V274-K276 VanDerWaalsContact C-N 3.25Å; V274-K276 PolarHBondContact O-N 3.36Å; V274-K276 VanDerWaalsContact O-N 3.11Å; V274-D277 PolarHBondContact O-N 3.23Å; V274-Y278 HydrophobicContact CG1-CD2 4.14Å; V274-Y278 HydrophobicContact CG1-CE2 3.68Å; V274-Y278 WeakPolarHBondContact O-CD2 3.41Å; V274-V330 HydrophobicContact CG2-CG1 3.78Å; V274-V330 WeakPolarHBondContact CG2-O 3.49Å; V274-L333 HydrophobicContact CB-CD2 3.94Å; V274-L333 HydrophobicContact CB-CG 4.32Å; V274-L333 HydrophobicContact CG1-CD2 4.38Å; V274-L333 HydrophobicContact CG1-CG 4.25Å; V274-L333 HydrophobicContact CG2-CB 4.37Å; V274-L333 HydrophobicContact CG2-CD2 3.83Å; V274-L333 HydrophobicContact CG2-CG 4.16Å; V274-R334 HydrophobicContact CG1-CB 4.17Å; V274-V337 HydrophobicContact CG1-CG2 4.22Å |
| 275 | A | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54 | -37.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I271 M272 D277 Y278 K279 F284 | I271-A275 PolarHBondContact O-N 2.8Å; M272-A275 PolarHBondContact O-N 2.97Å; A275-D277 PolarHBondContact O-N 2.81Å; A275-D277 VanDerWaalsContact O-N 3.1Å; A275-Y278 CarbonylContact O-C 3.58Å; A275-Y278 PolarHBondContact O-N 3.11Å; A275-K279 PolarHBondContact O-N 3.12Å; A275-F284 HydrophobicContact CB-CB 4.1Å; A275-F284 HydrophobicContact CB-CD1 4.11Å; A275-F284 HydrophobicContact CB-CD2 3.34Å; A275-F284 HydrophobicContact CB-CE1 4.37Å; A275-F284 HydrophobicContact CB-CE2 3.65Å; A275-F284 HydrophobicContact CB-CG 3.59Å; A275-F284 HydrophobicContact CB-CZ 4.16Å |
| 276 | K | 96.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 45% | 0.452 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -55.7 | -28.5 | 178.2 | 68.9 | 174.2 | -170.2 | 158 | 0 | 113.8 | F205 L232 M272 K273 V274 Y278 | F205-K276 HydrophobicContact CD1-CD 4.37Å; L232-K276 HydrophobicContact CD1-CB 3.96Å; M272-K276 PolarHBondContact O-N 2.83Å; M272-K276 VanDerWaalsContact O-N 3.08Å; K273-K276 WeakPolarHBondContact O-CE 3.18Å; V274-K276 VanDerWaalsContact C-N 3.25Å; V274-K276 PolarHBondContact O-N 3.36Å; V274-K276 VanDerWaalsContact O-N 3.11Å; K276-Y278 VanDerWaalsContact C-N 3.29Å |
| 277 | D | 97.6 | Very high | 97 | Very high | 78 Ų | 78 | 45 Ų | 45 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -83.5 | -9.2 | -178.2 | -55.6 | -32.8 | 0 | 0 | 0 | 112 | V274 A275 R334 | V274-D277 PolarHBondContact O-N 3.23Å; A275-D277 PolarHBondContact O-N 2.81Å; A275-D277 VanDerWaalsContact O-N 3.1Å; D277-R334 IonicContact OD2-CZ 3.16Å; D277-R334 IonicContact OD2-NH1 2.71Å; D277-R334 PolarHBondContact OD2-NH1 2.9Å; D277-R334 IonicContact OD2-NH2 3.85Å; D277-R334 PolarHBondContact OD2-NH2 3.2Å |
| 278 | Y | 96.6 | Very high | 97 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -124.6 | 23.7 | -178.8 | -52.4 | -90.7 | 0 | 0 | 0 | 112.4 | V274 A275 K276 R280 R281 V282 F284 R334 V337 E338 L341 | V274-Y278 HydrophobicContact CG1-CD2 4.14Å; V274-Y278 HydrophobicContact CG1-CE2 3.68Å; V274-Y278 WeakPolarHBondContact O-CD2 3.41Å; A275-Y278 CarbonylContact O-C 3.58Å; A275-Y278 PolarHBondContact O-N 3.11Å; K276-Y278 VanDerWaalsContact C-N 3.29Å; Y278-R280 PolarHBondContact O-N 3.28Å; Y278-R281 WeakPolarHBondContact O-CB 3.47Å; Y278-R281 PolarHBondContact O-N 3.38Å; Y278-V282 HydrophobicContact CG-CG1 4.29Å; Y278-V282 PolarHBondContact O-N 2.83Å; Y278-F284 HydrophobicContact CD2-CZ 4.45Å; Y278-R334 WeakPolarHBondContact OH-CG 3.41Å; Y278-R334 PolarHBondContact OH-NH1 2.83Å; Y278-V337 HydrophobicContact CD1-CG1 3.8Å; Y278-V337 HydrophobicContact CD2-CG1 3.95Å; Y278-V337 HydrophobicContact CE1-CG1 3.82Å; Y278-V337 HydrophobicContact CE2-CG1 3.98Å; Y278-V337 HydrophobicContact CG-CG1 3.89Å; Y278-E338 HydrophobicContact CE1-CG 4.17Å; Y278-E338 VanDerWaalsContact OH-CG 3.32Å; Y278-E338 WeakPolarHBondContact OH-CG 3.44Å; Y278-E338 PolarHBondContact OH-OE1 2.95Å; Y278-L341 HydrophobicContact CD1-CD1 3.7Å; Y278-L341 HydrophobicContact CE1-CD1 4.16Å |
| 279 | K | 91.4 | Very high | 96.9 | Very high | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 133.1 | 178.4 | -166.8 | -176.9 | 177.5 | 174.2 | 0 | 110.2 | E228 L232 A275 R281 | E228-K279 IonicContact OE1-NZ 3.07Å; E228-K279 WeakPolarHBondContact OE2-CE 3.33Å; E228-K279 IonicContact OE2-NZ 3.89Å; E228-K279 PolarHBondContact OE2-NZ 2.81Å; L232-K279 HydrophobicContact CD2-CB 4.26Å; L232-K279 HydrophobicContact CD2-CD 4.32Å; L232-K279 HydrophobicContact CD2-CG 4.04Å; A275-K279 PolarHBondContact O-N 3.12Å; K279-R281 PolarHBondContact O-N 2.94Å; K279-R281 VanDerWaalsContact O-N 3.09Å |
| 280 | R | 89.7 | Confident | 96.8 | Very high | 187 Ų | 187 | 45.2 Ų | 45.2 | 71% | 0.706 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 5.6 | -179 | -63.2 | 168 | -178.1 | 176.8 | -1.7 | 115.8 | E228 Y278 | E228-R280 IonicContact OE1-CZ 3.88Å; E228-R280 IonicContact OE1-NE 2.67Å; E228-R280 PolarHBondContact OE1-NE 3.31Å; E228-R280 IonicContact OE1-NH2 2.66Å; E228-R280 PolarHBondContact OE1-NH2 2.78Å; Y278-R280 PolarHBondContact O-N 3.28Å |
| 281 | R | 94.8 | Very high | 96.6 | Very high | 149 Ų | 149 | 46.8 Ų | 46.8 | 56% | 0.562 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -34.4 | 172.3 | -65.9 | 178.4 | 61.3 | -164.7 | -1.3 | 112.5 | P247 Y278 K279 | P247-R281 VanDerWaalsContact CG-O 3.27Å; P247-R281 WeakPolarHBondContact CG-O 3.27Å; Y278-R281 WeakPolarHBondContact O-CB 3.47Å; Y278-R281 PolarHBondContact O-N 3.38Å; K279-R281 PolarHBondContact O-N 2.94Å; K279-R281 VanDerWaalsContact O-N 3.09Å |
| 282 | V | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -149.8 | 136.1 | 175.2 | 48.3 | 0 | 0 | 0 | 0 | 108.3 | P247 I249 Y278 F284 V337 L341 | P247-V282 HydrophobicContact CB-CG2 4.37Å; P247-V282 HydrophobicContact CG-CB 4.36Å; P247-V282 WeakPolarHBondContact O-CA 3.44Å; P247-V282 WeakPolarHBondContact O-CG2 3.27Å; I249-V282 HydrophobicContact CB-CG2 4.43Å; I249-V282 HydrophobicContact CD1-CG2 3.74Å; I249-V282 HydrophobicContact CG1-CG2 3.73Å; Y278-V282 HydrophobicContact CG-CG1 4.29Å; Y278-V282 PolarHBondContact O-N 2.83Å; V282-F284 HydrophobicContact CB-CE2 4.48Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.92Å; V282-F284 HydrophobicContact CG2-CE2 4.41Å; V282-V337 HydrophobicContact CG1-CG1 4.13Å; V282-L341 HydrophobicContact CB-CD2 4.35Å; V282-L341 HydrophobicContact CG1-CD1 4.24Å |
| 283 | A | 97.3 | Very high | 96.3 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 149.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P247 L248 I249 | P247-A283 PolarHBondContact O-N 2.73Å; L248-A283 CarbonylContact C-O 3.52Å; L248-A283 WeakPolarHBondContact CA-O 3.4Å; L248-A283 HydrophobicContact CD1-CB 3.69Å; I249-A283 PolarHBondContact N-O 2.79Å |
| 284 | F | 98.5 | Very high | 96 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.2 | 171.8 | -66.3 | -104.2 | 0 | 0 | 0 | 110.6 | L232 C233 G234 I249 I271 A275 Y278 V282 V337 | L232-F284 WeakPolarHBondContact O-CB 3.22Å; C233-F284 CarbonylContact C-O 3.53Å; C233-F284 VanDerWaalsContact CA-O 3.3Å; C233-F284 WeakPolarHBondContact CA-O 3.39Å; C233-F284 HydrophobicContact CB-CB 4.21Å; G234-F284 PolarHBondContact N-O 3.23Å; I249-F284 HydrophobicContact CB-CD1 3.81Å; I249-F284 HydrophobicContact CB-CE1 3.95Å; I249-F284 HydrophobicContact CB-CG 4.48Å; I249-F284 HydrophobicContact CD1-CE1 3.79Å; I249-F284 HydrophobicContact CD1-CZ 4.01Å; I249-F284 HydrophobicContact CG1-CE1 4.44Å; I249-F284 HydrophobicContact CG2-CD1 3.94Å; I249-F284 HydrophobicContact CG2-CE1 4.03Å; I249-F284 CarbonylContact O-C 3.39Å; I249-F284 VanDerWaalsContact O-CA 3.26Å; I249-F284 WeakPolarHBondContact O-CA 3.24Å; I271-F284 HydrophobicContact CG2-CB 4.19Å; I271-F284 HydrophobicContact CG2-CD1 3.7Å; I271-F284 HydrophobicContact CG2-CG 4.3Å; A275-F284 HydrophobicContact CB-CB 4.1Å; A275-F284 HydrophobicContact CB-CD1 4.11Å; A275-F284 HydrophobicContact CB-CD2 3.34Å; A275-F284 HydrophobicContact CB-CE1 4.37Å; A275-F284 HydrophobicContact CB-CE2 3.65Å; A275-F284 HydrophobicContact CB-CG 3.59Å; A275-F284 HydrophobicContact CB-CZ 4.16Å; Y278-F284 HydrophobicContact CD2-CZ 4.45Å; V282-F284 HydrophobicContact CB-CE2 4.48Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.92Å; V282-F284 HydrophobicContact CG2-CE2 4.41Å; F284-V337 HydrophobicContact CE1-CG2 3.87Å; F284-V337 HydrophobicContact CZ-CG1 4.25Å; F284-V337 HydrophobicContact CZ-CG2 3.85Å |
| 285 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | G234 R236 F244 L248 I249 V250 A251 | G234-A285 CarbonylContact O-C 3.41Å; G234-A285 WeakPolarHBondContact O-CA 3.25Å; R236-A285 HydrophobicContact CB-CB 3.78Å; F244-A285 HydrophobicContact CD1-CB 4.02Å; F244-A285 HydrophobicContact CE1-CB 3.64Å; F244-A285 HydrophobicContact CZ-CB 4.22Å; L248-A285 HydrophobicContact CD1-CB 4.25Å; I249-A285 PolarHBondContact O-N 3.28Å; V250-A285 CarbonylContact C-O 3.5Å; V250-A285 WeakPolarHBondContact CA-O 3.16Å; V250-A285 HydrophobicContact CG1-CB 4.42Å; V250-A285 HydrophobicContact CG2-CB 4.34Å; A251-A285 PolarHBondContact N-O 3.07Å |
| 286 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.8 | 162.3 | -60.5 | 0 | 0 | 0 | 0 | 108.5 | G234 R236 A251 Y253 V255 R268 | G234-V286 PolarHBondContact O-N 3.29Å; R236-V286 PolarHBondContact N-O 3.28Å; A251-V286 HydrophobicContact CB-CG1 4.38Å; A251-V286 WeakPolarHBondContact O-CA 3.46Å; Y253-V286 HydrophobicContact CE1-CB 3.72Å; Y253-V286 HydrophobicContact CE1-CG1 3.68Å; Y253-V286 WeakPolarHBondContact OH-CG1 3.44Å; V255-V286 HydrophobicContact CG1-CG2 4.13Å; V255-V286 HydrophobicContact CG2-CB 3.85Å; V255-V286 HydrophobicContact CG2-CG2 4.09Å; R268-V286 HydrophobicContact CB-CG1 4.03Å; R268-V286 HydrophobicContact CG-CG1 4.07Å; R268-V286 HydrophobicContact CG-CG2 4.49Å |
| 287 | S | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 145.8 | -179 | -162.9 | 0 | 0 | 0 | 0 | 111.6 | R236 A251 Y252 Y253 V255 R289 M292 | R236-S287 WeakPolarHBondContact O-CA 3.38Å; R236-S287 VanDerWaalsContact O-CB 3.32Å; R236-S287 WeakPolarHBondContact O-CB 3.44Å; R236-S287 PolarHBondContact O-OG 3.43Å; A251-S287 PolarHBondContact O-N 3.25Å; Y252-S287 WeakPolarHBondContact CA-O 3.22Å; Y253-S287 PolarHBondContact N-O 3.27Å; V255-S287 WeakPolarHBondContact CG2-O 3.48Å; S287-R289 PolarHBondContact O-N 2.75Å; S287-M292 WeakPolarHBondContact OG-CG 3.47Å |
| 288 | N | 97.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 123.3 | 177.8 | -174.8 | -64.4 | 0 | 0 | 0 | 109.8 | Y253 V255 G290 D291 M292 | Y253-N288 WeakPolarHBondContact O-CA 3.3Å; V255-N288 HydrophobicContact CB-CB 4.26Å; V255-N288 PolarHBondContact O-ND2 2.96Å; N288-G290 VanDerWaalsContact C-N 3.3Å; N288-G290 PolarHBondContact O-N 3.32Å; N288-G290 WeakPolarHBondContact OD1-CA 3.48Å; N288-G290 PolarHBondContact OD1-N 2.91Å; N288-D291 HydrophobicContact CB-CB 4.13Å; N288-D291 WeakPolarHBondContact CB-OD2 3.38Å; N288-D291 PolarHBondContact O-N 2.9Å; N288-D291 PolarHBondContact OD1-N 2.89Å; N288-D291 VanDerWaalsContact OD1-N 3.13Å; N288-M292 WeakPolarHBondContact O-CB 3.37Å; N288-M292 WeakPolarHBondContact O-CG 3.26Å; N288-M292 PolarHBondContact O-N 3.39Å; N288-M292 VanDerWaalsContact O-N 3.07Å |
| 289 | R | 95 | Very high | 94.5 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.7 | -178.7 | 66.9 | 174.1 | -70.6 | -90.7 | 1.1 | 114 | Y253 D254 S287 M292 Y293 L296 Y302 R309 | Y253-R289 PolarHBondContact O-N 3.5Å; D254-R289 WeakPolarHBondContact OD1-CD 3.09Å; D254-R289 WeakPolarHBondContact OD1-CG 3.44Å; S287-R289 PolarHBondContact O-N 2.75Å; R289-M292 CarbonylContact O-C 2.99Å; R289-Y293 PolarHBondContact O-N 3.28Å; R289-L296 HydrophobicContact CB-CD1 3.53Å; R289-Y302 PolarHBondContact NH2-O 2.68Å; R289-Y302 WeakPolarHBondContact O-CE2 3.28Å; R289-R309 VanDerWaalsContact CZ-CZ 3.49Å |
| 290 | G | 94.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -46.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | N288 M292 Y293 | N288-G290 VanDerWaalsContact C-N 3.3Å; N288-G290 PolarHBondContact O-N 3.32Å; N288-G290 WeakPolarHBondContact OD1-CA 3.48Å; N288-G290 PolarHBondContact OD1-N 2.91Å; G290-M292 VanDerWaalsContact C-N 3.27Å; G290-M292 PolarHBondContact O-N 2.94Å; G290-Y293 PolarHBondContact O-N 3.26Å |
| 291 | D | 95.4 | Very high | 94.4 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 56% | 0.556 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -34.2 | 177.4 | -59.4 | -21.5 | 0 | 0 | 0 | 111.4 | N288 Y293 | N288-D291 HydrophobicContact CB-CB 4.13Å; N288-D291 WeakPolarHBondContact CB-OD2 3.38Å; N288-D291 PolarHBondContact O-N 2.9Å; N288-D291 PolarHBondContact OD1-N 2.89Å; N288-D291 VanDerWaalsContact OD1-N 3.13Å; D291-Y293 VanDerWaalsContact C-N 3.34Å; D291-Y293 PolarHBondContact O-N 3.49Å |
| 292 | M | 95.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 30.5 | 178.4 | -52.8 | -53.8 | -104.8 | 0 | 0 | 113.7 | R236 M238 Y252 S287 N288 R289 G290 S294 E295 L296 | R236-M292 HydrophobicContact CG-CE 4.43Å; R236-M292 VanDerWaalsContact CZ-CE 3.45Å; M238-M292 HydrophobicContact CG-SD 3.88Å; M238-M292 HydrophobicContact SD-CE 4.16Å; M238-M292 HydrophobicContact SD-SD 3.42Å; Y252-M292 HydrophobicContact CD1-CB 4.05Å; Y252-M292 HydrophobicContact CD1-CG 4.28Å; Y252-M292 HydrophobicContact CE1-CB 3.92Å; Y252-M292 HydrophobicContact CE1-CG 4.03Å; S287-M292 WeakPolarHBondContact OG-CG 3.47Å; N288-M292 WeakPolarHBondContact O-CB 3.37Å; N288-M292 WeakPolarHBondContact O-CG 3.26Å; N288-M292 PolarHBondContact O-N 3.39Å; N288-M292 VanDerWaalsContact O-N 3.07Å; R289-M292 CarbonylContact O-C 2.99Å; G290-M292 VanDerWaalsContact C-N 3.27Å; G290-M292 PolarHBondContact O-N 2.94Å; M292-S294 PolarHBondContact O-N 2.8Å; M292-E295 HydrophobicContact CB-CB 4.44Å; M292-E295 PolarHBondContact O-N 2.62Å; M292-L296 PolarHBondContact O-N 3.49Å; M292-L296 VanDerWaalsContact O-N 3.09Å |
| 293 | Y | 94 | Very high | 93.5 | Very high | 112 Ų | 112 | 37.7 Ų | 37.7 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -50 | -51.9 | -177.8 | 172.4 | -103.9 | 0 | 0 | 0 | 113 | R289 G290 D291 E295 L296 S297 Y302 | R289-Y293 PolarHBondContact O-N 3.28Å; G290-Y293 PolarHBondContact O-N 3.26Å; D291-Y293 VanDerWaalsContact C-N 3.34Å; D291-Y293 PolarHBondContact O-N 3.49Å; Y293-E295 VanDerWaalsContact C-N 3.3Å; Y293-E295 PolarHBondContact O-N 3.26Å; Y293-L296 PolarHBondContact O-N 3.2Å; Y293-S297 WeakPolarHBondContact O-CB 3.36Å; Y293-S297 PolarHBondContact O-N 2.76Å; Y293-Y302 AromaticContact CD2-CD1 3.44Å; Y293-Y302 HydrophobicContact CD2-CD1 3.44Å; Y293-Y302 VanDerWaalsContact CD2-CD1 3.44Å; Y293-Y302 AromaticContact CD2-CD2 3.61Å; Y293-Y302 HydrophobicContact CD2-CD2 3.61Å; Y293-Y302 AromaticContact CD2-CE1 3.4Å; Y293-Y302 HydrophobicContact CD2-CE1 3.4Å; Y293-Y302 VanDerWaalsContact CD2-CE1 3.4Å; Y293-Y302 AromaticContact CD2-CE2 3.6Å; Y293-Y302 HydrophobicContact CD2-CE2 3.6Å; Y293-Y302 AromaticContact CD2-CG 3.51Å; Y293-Y302 HydrophobicContact CD2-CG 3.51Å; Y293-Y302 AromaticContact CD2-CZ 3.47Å; Y293-Y302 VanDerWaalsContact CD2-CZ 3.47Å; Y293-Y302 AromaticContact CE2-CD1 3.28Å; Y293-Y302 HydrophobicContact CE2-CD1 3.28Å; Y293-Y302 HydrophobicContact CE2-CD2 4.3Å; Y293-Y302 AromaticContact CE2-CE1 3.43Å; Y293-Y302 HydrophobicContact CE2-CE1 3.43Å; Y293-Y302 VanDerWaalsContact CE2-CE1 3.43Å; Y293-Y302 HydrophobicContact CE2-CE2 4.44Å; Y293-Y302 AromaticContact CE2-CG 3.73Å; Y293-Y302 HydrophobicContact CE2-CG 3.73Å; Y293-Y302 HydrophobicContact CG-CE2 4.48Å |
| 294 | S | 91.8 | Very high | 92.9 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 66% | 0.657 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.3 | -38 | -176.1 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | M292 S298 | M292-S294 PolarHBondContact O-N 2.8Å; S294-S298 WeakPolarHBondContact O-CB 3.28Å; S294-S298 PolarHBondContact O-N 2.81Å; S294-S298 VanDerWaalsContact O-N 3.08Å; S294-S298 PolarHBondContact O-OG 3.47Å |
| 295 | E | 93.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 179.7 | -169.2 | 171.9 | 78.9 | 0 | 0 | 110.2 | R236 Y252 M292 Y293 S298 L299 | R236-E295 IonicContact CZ-OE1 3.2Å; R236-E295 IonicContact CZ-OE2 2.68Å; R236-E295 IonicContact NH1-OE1 3.77Å; R236-E295 PolarHBondContact NH1-OE1 3.01Å; R236-E295 IonicContact NH1-OE2 2.79Å; R236-E295 PolarHBondContact NH1-OE2 3.16Å; R236-E295 IonicContact NH2-OE1 3.26Å; R236-E295 IonicContact NH2-OE2 2.76Å; R236-E295 PolarHBondContact NH2-OE2 2.87Å; Y252-E295 WeakPolarHBondContact CE1-OE1 3.31Å; Y252-E295 PolarHBondContact OH-OE1 3.24Å; M292-E295 HydrophobicContact CB-CB 4.44Å; M292-E295 PolarHBondContact O-N 2.62Å; Y293-E295 VanDerWaalsContact C-N 3.3Å; Y293-E295 PolarHBondContact O-N 3.26Å; E295-S298 PolarHBondContact O-N 3.26Å; E295-S298 PolarHBondContact O-OG 3.25Å; E295-L299 WeakPolarHBondContact O-CG 3.5Å; E295-L299 PolarHBondContact O-N 2.8Å |
| 296 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 179.2 | -72.5 | 174.5 | 0 | 0 | 0 | 114 | Y252 R289 M292 Y293 S298 L299 G300 L301 Y302 | Y252-L296 HydrophobicContact CD1-CD1 3.97Å; Y252-L296 HydrophobicContact CD1-CD2 3.99Å; Y252-L296 HydrophobicContact CD1-CG 3.99Å; Y252-L296 HydrophobicContact CD2-CD2 3.86Å; Y252-L296 HydrophobicContact CE1-CD2 4.44Å; Y252-L296 HydrophobicContact CE1-CG 4.45Å; Y252-L296 HydrophobicContact CE2-CD2 4.35Å; Y252-L296 HydrophobicContact CG-CD1 4.05Å; Y252-L296 HydrophobicContact CG-CD2 3.68Å; Y252-L296 HydrophobicContact CG-CG 4.14Å; R289-L296 HydrophobicContact CB-CD1 3.53Å; M292-L296 PolarHBondContact O-N 3.49Å; M292-L296 VanDerWaalsContact O-N 3.09Å; Y293-L296 PolarHBondContact O-N 3.2Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-L299 CarbonylContact O-C 3.6Å; L296-L299 WeakPolarHBondContact O-CB 3.47Å; L296-L299 PolarHBondContact O-N 3.12Å; L296-L299 VanDerWaalsContact O-N 3.13Å; L296-G300 PolarHBondContact O-N 2.79Å; L296-L301 HydrophobicContact CB-CB 4.44Å; L296-L301 HydrophobicContact CD2-CB 3.95Å; L296-L301 HydrophobicContact CD2-CD1 4.01Å; L296-L301 PolarHBondContact O-N 2.87Å; L296-Y302 HydrophobicContact CB-CD2 4.28Å; L296-Y302 HydrophobicContact CD1-CD2 4.3Å; L296-Y302 PolarHBondContact O-N 3.4Å |
| 297 | S | 90.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | Y293 L299 G300 E303 | Y293-S297 WeakPolarHBondContact O-CB 3.36Å; Y293-S297 PolarHBondContact O-N 2.76Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-L299 VanDerWaalsContact O-N 3.15Å; S297-G300 PolarHBondContact O-N 2.89Å; S297-E303 PolarHBondContact OG-OE1 3.26Å |
| 298 | S | 87.2 | Confident | 89.5 | Confident | 51 Ų | 51 | 60 Ų | 60 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -24.4 | 171.9 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | S294 E295 L296 | S294-S298 WeakPolarHBondContact O-CB 3.28Å; S294-S298 PolarHBondContact O-N 2.81Å; S294-S298 VanDerWaalsContact O-N 3.08Å; S294-S298 PolarHBondContact O-OG 3.47Å; E295-S298 PolarHBondContact O-N 3.26Å; E295-S298 PolarHBondContact O-OG 3.25Å; L296-S298 VanDerWaalsContact C-N 3.33Å |
| 299 | L | 91.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.7 | 176.3 | -66.5 | 174.1 | 0 | 0 | 0 | 113.1 | E295 L296 S297 L301 V313 K321 V323 F348 | E295-L299 WeakPolarHBondContact O-CG 3.5Å; E295-L299 PolarHBondContact O-N 2.8Å; L296-L299 CarbonylContact O-C 3.6Å; L296-L299 WeakPolarHBondContact O-CB 3.47Å; L296-L299 PolarHBondContact O-N 3.12Å; L296-L299 VanDerWaalsContact O-N 3.13Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-L299 VanDerWaalsContact O-N 3.15Å; L299-L301 HydrophobicContact CB-CB 4.37Å; L299-L301 HydrophobicContact CB-CD1 3.72Å; L299-L301 HydrophobicContact CB-CG 3.86Å; L299-L301 HydrophobicContact CD1-CD1 3.89Å; L299-L301 HydrophobicContact CG-CD1 4.45Å; L299-L301 PolarHBondContact O-N 2.86Å; L299-V313 HydrophobicContact CD1-CG1 3.91Å; L299-V313 HydrophobicContact CD1-CG2 3.8Å; L299-K321 HydrophobicContact CD1-CD 4.36Å; L299-K321 HydrophobicContact CD2-CB 4.14Å; L299-K321 HydrophobicContact CD2-CD 3.62Å; L299-K321 HydrophobicContact CG-CD 4.27Å; L299-V323 HydrophobicContact CD2-CG2 4.35Å; L299-F348 VanDerWaalsContact C-CZ 3.48Å; L299-F348 VanDerWaalsContact CA-CZ 3.44Å; L299-F348 HydrophobicContact CB-CE1 4.48Å; L299-F348 HydrophobicContact CB-CE2 4.47Å; L299-F348 HydrophobicContact CB-CZ 4.28Å; L299-F348 HydrophobicContact CD2-CB 4.16Å; L299-F348 HydrophobicContact CD2-CD1 3.27Å; L299-F348 HydrophobicContact CD2-CD2 4.04Å; L299-F348 HydrophobicContact CD2-CE1 3.56Å; L299-F348 HydrophobicContact CD2-CE2 4.29Å; L299-F348 HydrophobicContact CD2-CG 3.54Å; L299-F348 HydrophobicContact CD2-CZ 4.07Å; L299-F348 WeakPolarHBondContact O-CE2 3.31Å; L299-F348 VanDerWaalsContact O-CZ 3.26Å; L299-F348 WeakPolarHBondContact O-CZ 3.26Å |
| 300 | G | 87.1 | Confident | 89.2 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 22.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L296 S297 Q304 | L296-G300 PolarHBondContact O-N 2.79Å; S297-G300 PolarHBondContact O-N 2.89Å; G300-Q304 WeakPolarHBondContact O-CG 3.44Å; G300-Q304 PolarHBondContact O-NE2 3.44Å |
| 301 | L | 91 | Very high | 89.3 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -95.4 | -27.7 | -178.2 | -69.1 | 171.4 | 0 | 0 | 0 | 112.3 | L296 L299 E303 Q304 F311 V313 V323 | L296-L301 HydrophobicContact CB-CB 4.44Å; L296-L301 HydrophobicContact CD2-CB 3.95Å; L296-L301 HydrophobicContact CD2-CD1 4.01Å; L296-L301 PolarHBondContact O-N 2.87Å; L299-L301 HydrophobicContact CB-CB 4.37Å; L299-L301 HydrophobicContact CB-CD1 3.72Å; L299-L301 HydrophobicContact CB-CG 3.86Å; L299-L301 HydrophobicContact CD1-CD1 3.89Å; L299-L301 HydrophobicContact CG-CD1 4.45Å; L299-L301 PolarHBondContact O-N 2.86Å; L301-E303 PolarHBondContact O-N 2.86Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 3.13Å; L301-F311 HydrophobicContact CB-CD1 4.43Å; L301-F311 HydrophobicContact CB-CD2 4.46Å; L301-F311 HydrophobicContact CB-CG 4.31Å; L301-F311 HydrophobicContact CD1-CB 4.28Å; L301-F311 HydrophobicContact CD2-CD1 3.92Å; L301-F311 HydrophobicContact CD2-CE1 4.39Å; L301-F311 HydrophobicContact CD2-CG 4.41Å; L301-F311 WeakPolarHBondContact O-CE2 2.94Å; L301-F311 VanDerWaalsContact O-CZ 3.23Å; L301-F311 WeakPolarHBondContact O-CZ 3.38Å; L301-V313 HydrophobicContact CD1-CG2 3.82Å; L301-V323 HydrophobicContact CD1-CG1 4.06Å; L301-V323 HydrophobicContact CD1-CG2 4.08Å; L301-V323 HydrophobicContact CD2-CG1 3.85Å; L301-V323 HydrophobicContact CG-CG1 4.47Å | ||
| 302 | Y | 88.3 | Confident | 89.5 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -42.2 | -171 | -173.2 | -93.7 | 0 | 0 | 0 | 112.5 | R289 Y293 L296 Q304 | R289-Y302 PolarHBondContact NH2-O 2.68Å; R289-Y302 WeakPolarHBondContact O-CE2 3.28Å; Y293-Y302 AromaticContact CD2-CD1 3.44Å; Y293-Y302 HydrophobicContact CD2-CD1 3.44Å; Y293-Y302 VanDerWaalsContact CD2-CD1 3.44Å; Y293-Y302 AromaticContact CD2-CD2 3.61Å; Y293-Y302 HydrophobicContact CD2-CD2 3.61Å; Y293-Y302 AromaticContact CD2-CE1 3.4Å; Y293-Y302 HydrophobicContact CD2-CE1 3.4Å; Y293-Y302 VanDerWaalsContact CD2-CE1 3.4Å; Y293-Y302 AromaticContact CD2-CE2 3.6Å; Y293-Y302 HydrophobicContact CD2-CE2 3.6Å; Y293-Y302 AromaticContact CD2-CG 3.51Å; Y293-Y302 HydrophobicContact CD2-CG 3.51Å; Y293-Y302 AromaticContact CD2-CZ 3.47Å; Y293-Y302 VanDerWaalsContact CD2-CZ 3.47Å; Y293-Y302 AromaticContact CE2-CD1 3.28Å; Y293-Y302 HydrophobicContact CE2-CD1 3.28Å; Y293-Y302 HydrophobicContact CE2-CD2 4.3Å; Y293-Y302 AromaticContact CE2-CE1 3.43Å; Y293-Y302 HydrophobicContact CE2-CE1 3.43Å; Y293-Y302 VanDerWaalsContact CE2-CE1 3.43Å; Y293-Y302 HydrophobicContact CE2-CE2 4.44Å; Y293-Y302 AromaticContact CE2-CG 3.73Å; Y293-Y302 HydrophobicContact CE2-CG 3.73Å; Y293-Y302 HydrophobicContact CG-CE2 4.48Å; L296-Y302 HydrophobicContact CB-CD2 4.28Å; L296-Y302 HydrophobicContact CD1-CD2 4.3Å; L296-Y302 PolarHBondContact O-N 3.4Å; Y302-Q304 VanDerWaalsContact C-N 3.26Å; Y302-Q304 PolarHBondContact O-N 2.94Å |
| 303 | E | 84.7 | Confident | 89.6 | Confident | 115 Ų | 115 | 53.4 Ų | 53.4 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.7 | -177.5 | -60.5 | 75.1 | -161.5 | 0 | 0 | 113.3 | S297 L301 | S297-E303 PolarHBondContact OG-OE1 3.26Å; L301-E303 PolarHBondContact O-N 2.86Å |
| 304 | Q | 85.7 | Confident | 89.8 | Confident | 57 Ų | 57 | 48 Ų | 48 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -73.2 | 158 | -179.3 | -61.5 | -171.1 | 17.6 | 0 | 0 | 112.8 | G300 L301 Y302 F311 | G300-Q304 WeakPolarHBondContact O-CG 3.44Å; G300-Q304 PolarHBondContact O-NE2 3.44Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 3.13Å; Y302-Q304 VanDerWaalsContact C-N 3.26Å; Y302-Q304 PolarHBondContact O-N 2.94Å; Q304-F311 HydrophobicContact CB-CE1 3.93Å; Q304-F311 HydrophobicContact CB-CZ 3.84Å |
| 305 | S | 81.4 | Confident | 90.1 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | trans | -50.4 | 138.5 | -177.6 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | K307 R308 | S305-K307 PolarHBondContact O-N 2.81Å; S305-K307 VanDerWaalsContact O-N 3.13Å; S305-K307 PolarHBondContact OG-N 2.95Å; S305-R308 PolarHBondContact O-N 3.18Å; S305-R308 VanDerWaalsContact O-N 3.1Å | ||
| 306 | E | 78.3 | Confident | 90.3 | Very high | 132 Ų | 132 | 43.1 Ų | 43.1 | 62% | 0.617 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -59.3 | -27.4 | 176.9 | -41.1 | -148 | 118.1 | 0 | 0 | 112.8 | R308 R309 | E306-R308 PolarHBondContact O-N 3.29Å; E306-R309 VanDerWaalsContact CG-NH2 3.27Å; E306-R309 VanDerWaalsContact O-CB 3.3Å; E306-R309 WeakPolarHBondContact O-CB 3.17Å; E306-R309 VanDerWaalsContact O-CG 3.32Å; E306-R309 WeakPolarHBondContact O-CG 3.21Å; E306-R309 PolarHBondContact O-N 2.8Å; E306-R309 VanDerWaalsContact O-N 3.11Å; E306-R309 IonicContact OE1-CZ 3.75Å; E306-R309 IonicContact OE1-NH1 3.68Å; E306-R309 PolarHBondContact OE1-NH1 2.82Å; E306-R309 IonicContact OE1-NH2 3.68Å; E306-R309 PolarHBondContact OE1-NH2 3.13Å |
| 307 | K | 79.9 | Confident | 90.4 | Very high | 185 Ų | 185 | 49.8 Ų | 49.8 | 80% | 0.804 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -65.8 | -22.9 | 179.8 | -64.6 | -174.9 | 179.9 | -179.6 | 0 | 113.4 | S305 R309 | S305-K307 PolarHBondContact O-N 2.81Å; S305-K307 VanDerWaalsContact O-N 3.13Å; S305-K307 PolarHBondContact OG-N 2.95Å; K307-R309 VanDerWaalsContact C-N 3.27Å |
| 308 | R | 82.7 | Confident | 90.5 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 25% | 0.249 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -79.1 | -8.1 | 176 | -71.9 | -165.6 | 75.8 | -172.7 | 8.6 | 113.1 | S305 E306 F311 E325 | S305-R308 PolarHBondContact O-N 3.18Å; S305-R308 VanDerWaalsContact O-N 3.1Å; E306-R308 PolarHBondContact O-N 3.29Å; R308-F311 HydrophobicContact CB-CD1 4.48Å; R308-F311 HydrophobicContact CB-CE1 3.81Å; R308-E325 PolarHBondContact NH2-O 3.03Å; R308-E325 IonicContact NH2-OE2 2.72Å; R308-E325 PolarHBondContact NH2-OE2 3.45Å |
| 309 | R | 88.8 | Confident | 90.8 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 15% | 0.151 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -73 | 146.6 | -176.6 | -61.6 | 175.1 | -170.3 | 159.8 | 14 | 111.4 | D254 R289 E306 K307 F311 | D254-R309 IonicContact OD1-NH1 2.6Å; D254-R309 IonicContact OD2-NH1 3.17Å; D254-R309 PolarHBondContact OD2-NH1 3.38Å; R289-R309 VanDerWaalsContact CZ-CZ 3.49Å; E306-R309 VanDerWaalsContact CG-NH2 3.27Å; E306-R309 VanDerWaalsContact O-CB 3.3Å; E306-R309 WeakPolarHBondContact O-CB 3.17Å; E306-R309 VanDerWaalsContact O-CG 3.32Å; E306-R309 WeakPolarHBondContact O-CG 3.21Å; E306-R309 PolarHBondContact O-N 2.8Å; E306-R309 VanDerWaalsContact O-N 3.11Å; E306-R309 IonicContact OE1-CZ 3.75Å; E306-R309 IonicContact OE1-NH1 3.68Å; E306-R309 PolarHBondContact OE1-NH1 2.82Å; E306-R309 IonicContact OE1-NH2 3.68Å; E306-R309 PolarHBondContact OE1-NH2 3.13Å; K307-R309 VanDerWaalsContact C-N 3.27Å; R309-F311 HydrophobicContact CG-CD2 4.25Å; R309-F311 HydrophobicContact CG-CE2 3.75Å; R309-F311 HydrophobicContact CG-CZ 4.02Å |
| 310 | P | 97.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | S | Bend | cis | -71.9 | 144.3 | -1.7 | 32.2 | -38.3 | 0 | 0 | 0 | 112.7 | A251 Y252 Y253 I267 I312 F328 | A251-P310 HydrophobicContact CB-CB 4.17Å; Y252-P310 VanDerWaalsContact O-CA 3.27Å; Y252-P310 WeakPolarHBondContact O-CA 3.5Å; Y253-P310 HydrophobicContact CD1-CB 3.8Å; Y253-P310 HydrophobicContact CG-CB 4.23Å; I267-P310 HydrophobicContact CG2-CB 4.2Å; I267-P310 HydrophobicContact CG2-CG 3.8Å; P310-I312 HydrophobicContact CB-CD1 4.28Å; P310-I312 HydrophobicContact CG-CD1 4.09Å; P310-F328 HydrophobicContact CG-CB 3.89Å; P310-F328 HydrophobicContact CG-CD1 3.65Å; P310-F328 HydrophobicContact CG-CD2 3.92Å; P310-F328 HydrophobicContact CG-CE1 4.12Å; P310-F328 HydrophobicContact CG-CE2 4.4Å; P310-F328 HydrophobicContact CG-CG 3.52Å; P310-F328 HydrophobicContact CG-CZ 4.47Å |
| 311 | F | 97.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.2 | 166.4 | -56.5 | -66.8 | 0 | 0 | 0 | 108.7 | A251 Y252 L301 Q304 R308 R309 | A251-F311 CarbonylContact C-O 3.55Å; A251-F311 WeakPolarHBondContact CA-O 3.19Å; Y252-F311 PolarHBondContact N-O 2.78Å; Y252-F311 PolarHBondContact O-N 2.84Å; L301-F311 HydrophobicContact CB-CD1 4.43Å; L301-F311 HydrophobicContact CB-CD2 4.46Å; L301-F311 HydrophobicContact CB-CG 4.31Å; L301-F311 HydrophobicContact CD1-CB 4.28Å; L301-F311 HydrophobicContact CD2-CD1 3.92Å; L301-F311 HydrophobicContact CD2-CE1 4.39Å; L301-F311 HydrophobicContact CD2-CG 4.41Å; L301-F311 WeakPolarHBondContact O-CE2 2.94Å; L301-F311 VanDerWaalsContact O-CZ 3.23Å; L301-F311 WeakPolarHBondContact O-CZ 3.38Å; Q304-F311 HydrophobicContact CB-CE1 3.93Å; Q304-F311 HydrophobicContact CB-CZ 3.84Å; R308-F311 HydrophobicContact CB-CD1 4.48Å; R308-F311 HydrophobicContact CB-CE1 3.81Å; R309-F311 HydrophobicContact CG-CD2 4.25Å; R309-F311 HydrophobicContact CG-CE2 3.75Å; R309-F311 HydrophobicContact CG-CZ 4.02Å |
| 312 | I | 98.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.6 | 178.5 | -52.8 | -58.1 | 0 | 0 | 0 | 108.7 | I249 V250 A251 I271 P310 M324 F328 L333 F336 | I249-I312 HydrophobicContact CG2-CG2 3.69Å; V250-I312 WeakPolarHBondContact O-CA 3.2Å; A251-I312 HydrophobicContact CB-CD1 3.5Å; I271-I312 HydrophobicContact CD1-CD1 4.07Å; P310-I312 HydrophobicContact CB-CD1 4.28Å; P310-I312 HydrophobicContact CG-CD1 4.09Å; I312-M324 HydrophobicContact CB-CB 3.77Å; I312-M324 HydrophobicContact CB-CE 4.05Å; I312-M324 HydrophobicContact CB-SD 4.1Å; I312-M324 HydrophobicContact CG1-CE 3.5Å; I312-M324 HydrophobicContact CG1-SD 4Å; I312-M324 HydrophobicContact CG2-CB 4.27Å; I312-M324 HydrophobicContact CG2-SD 4.43Å; I312-M324 PolarHBondContact O-N 2.94Å; I312-F328 HydrophobicContact CD1-CD2 4.09Å; I312-F328 HydrophobicContact CD1-CE2 4.42Å; I312-F328 HydrophobicContact CG1-CD2 4.18Å; I312-L333 HydrophobicContact CG1-CD1 4.49Å; I312-L333 HydrophobicContact CG2-CD1 3.89Å; I312-F336 HydrophobicContact CG2-CD1 3.9Å; I312-F336 HydrophobicContact CG2-CE1 3.72Å |
| 313 | V | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.1 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | I249 V250 Y252 L299 L301 F315 K321 Y322 | I249-V313 WeakPolarHBondContact CA-O 3.37Å; V250-V313 PolarHBondContact N-O 3.49Å; V250-V313 PolarHBondContact O-N 2.85Å; Y252-V313 HydrophobicContact CD2-CG2 4.03Å; Y252-V313 HydrophobicContact CE2-CB 3.86Å; Y252-V313 HydrophobicContact CE2-CG2 3.63Å; L299-V313 HydrophobicContact CD1-CG1 3.91Å; L299-V313 HydrophobicContact CD1-CG2 3.8Å; L301-V313 HydrophobicContact CD1-CG2 3.82Å; V313-F315 HydrophobicContact CB-CE2 4.14Å; V313-F315 HydrophobicContact CB-CZ 4.4Å; V313-F315 HydrophobicContact CG1-CE1 4.45Å; V313-F315 HydrophobicContact CG1-CE2 3.91Å; V313-F315 HydrophobicContact CG1-CZ 3.87Å; V313-K321 HydrophobicContact CG1-CB 4.29Å; V313-Y322 CarbonylContact C-O 3.31Å; V313-Y322 VanDerWaalsContact CA-O 3.24Å; V313-Y322 WeakPolarHBondContact CA-O 3.25Å |
| 314 | A | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 149.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | L248 I249 K321 Y322 F336 F340 | L248-A314 CarbonylContact O-C 3.59Å; L248-A314 VanDerWaalsContact O-CA 3.22Å; L248-A314 WeakPolarHBondContact O-CA 3.49Å; I249-A314 HydrophobicContact CG1-CB 3.87Å; A314-K321 CarbonylContact O-C 3.56Å; A314-K321 VanDerWaalsContact O-CA 3.32Å; A314-K321 WeakPolarHBondContact O-CA 3.05Å; A314-Y322 PolarHBondContact N-O 2.94Å; A314-Y322 PolarHBondContact O-N 2.81Å; A314-F336 HydrophobicContact CB-CE1 3.84Å; A314-F336 HydrophobicContact CB-CZ 3.94Å; A314-F340 HydrophobicContact CB-CD1 3.85Å; A314-F340 HydrophobicContact CB-CD2 3.76Å; A314-F340 HydrophobicContact CB-CE1 3.78Å; A314-F340 HydrophobicContact CB-CE2 3.71Å; A314-F340 HydrophobicContact CB-CG 3.84Å; A314-F340 HydrophobicContact CB-CZ 3.73Å |
| 315 | F | 98.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.5 | 176.2 | -57.1 | -97.5 | 0 | 0 | 0 | 107.9 | P247 L248 V250 Y252 V313 R320 K321 | P247-F315 CarbonylContact C-O 3.52Å; P247-F315 VanDerWaalsContact CA-O 3.25Å; P247-F315 WeakPolarHBondContact CA-O 3.47Å; L248-F315 HydrophobicContact CB-CB 4.38Å; L248-F315 HydrophobicContact CB-CD2 4.47Å; L248-F315 HydrophobicContact CD2-CD2 4.27Å; L248-F315 HydrophobicContact CG-CD2 4.38Å; L248-F315 PolarHBondContact N-O 3.41Å; L248-F315 PolarHBondContact O-N 2.93Å; V250-F315 HydrophobicContact CB-CE2 4.19Å; V250-F315 HydrophobicContact CG2-CD2 4.09Å; V250-F315 HydrophobicContact CG2-CE2 3.65Å; Y252-F315 WeakPolarHBondContact OH-CZ 3.27Å; V313-F315 HydrophobicContact CB-CE2 4.14Å; V313-F315 HydrophobicContact CB-CZ 4.4Å; V313-F315 HydrophobicContact CG1-CE1 4.45Å; V313-F315 HydrophobicContact CG1-CE2 3.91Å; V313-F315 HydrophobicContact CG1-CZ 3.87Å; F315-R320 WeakPolarHBondContact CA-O 3.5Å; F315-K321 HydrophobicContact CD1-CG 3.94Å; F315-K321 HydrophobicContact CE1-CD 4.17Å; F315-K321 HydrophobicContact CE1-CG 3.83Å |
| 316 | D | 97.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | trans | -89.3 | -177.8 | 175.9 | 73.5 | 4.1 | 0 | 0 | 0 | 112.6 | N246 E318 K319 R320 Y322 F340 | N246-D316 VanDerWaalsContact CB-O 3.22Å; N246-D316 WeakPolarHBondContact CB-O 3.28Å; N246-D316 PolarHBondContact ND2-O 2.97Å; D316-E318 PolarHBondContact O-N 2.84Å; D316-E318 WeakPolarHBondContact OD1-CA 3.22Å; D316-E318 PolarHBondContact OD1-N 3.38Å; D316-K319 WeakPolarHBondContact O-CA 3.16Å; D316-K319 PolarHBondContact O-N 3.13Å; D316-K319 PolarHBondContact OD1-N 3.05Å; D316-R320 PolarHBondContact N-O 3.49Å; D316-R320 VanDerWaalsContact N-O 3.11Å; D316-R320 WeakPolarHBondContact OD1-CB 3.41Å; D316-R320 PolarHBondContact OD1-N 3.32Å; D316-R320 IonicContact OD1-NE 2.68Å; D316-R320 IonicContact OD2-CZ 2.79Å; D316-R320 IonicContact OD2-NE 2.73Å; D316-R320 PolarHBondContact OD2-NE 2.78Å; D316-R320 IonicContact OD2-NH2 3.92Å; D316-R320 PolarHBondContact OD2-NH2 3.14Å; D316-Y322 HydrophobicContact CB-CE2 4.01Å; D316-Y322 PolarHBondContact OD2-OH 2.66Å; D316-F340 HydrophobicContact CB-CE2 4.04Å; D316-F340 HydrophobicContact CB-CZ 4.01Å | ||
| 317 | E | 95.6 | Very high | 94.3 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.1 | -180 | -63.6 | -70 | -176.5 | 0 | 0 | 113.2 | P247 K319 | P247-E317 WeakPolarHBondContact CD-OE1 3.18Å; E317-K319 PolarHBondContact O-N 2.88Å |
| 318 | E | 93.1 | Very high | 95 | Very high | 135 Ų | 135 | 56.2 Ų | 56.2 | 63% | 0.631 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.9 | 176.1 | -66.5 | 177.9 | -166.5 | 0 | 0 | 112.4 | D316 R320 | D316-E318 PolarHBondContact O-N 2.84Å; D316-E318 WeakPolarHBondContact OD1-CA 3.22Å; D316-E318 PolarHBondContact OD1-N 3.38Å; E318-R320 HydrophobicContact CB-CG 4.14Å; E318-R320 PolarHBondContact O-N 2.95Å; E318-R320 IonicContact OE1-NH1 2.99Å; E318-R320 IonicContact OE2-CZ 2.72Å; E318-R320 IonicContact OE2-NE 3.2Å; E318-R320 IonicContact OE2-NH1 3.32Å; E318-R320 PolarHBondContact OE2-NH1 3.29Å; E318-R320 IonicContact OE2-NH2 2.79Å |
| 319 | K | 93.4 | Very high | 95.7 | Very high | 154 Ų | 154 | 55 Ų | 55 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | trans | 61.7 | 17.9 | -175.1 | -54.2 | -179 | 175.8 | -174.5 | 0 | 113.8 | D316 E317 | D316-K319 WeakPolarHBondContact O-CA 3.16Å; D316-K319 PolarHBondContact O-N 3.13Å; D316-K319 PolarHBondContact OD1-N 3.05Å; E317-K319 PolarHBondContact O-N 2.88Å | ||
| 320 | R | 94.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 54 Ų | 54 | 38% | 0.381 | 25% | 0.25 | S | C | . | . | trans | -66.3 | 139.8 | 169.6 | -59.1 | -179.5 | -61.6 | -147.2 | 3.9 | 108.4 | F315 D316 E318 Y322 | F315-R320 WeakPolarHBondContact CA-O 3.5Å; D316-R320 PolarHBondContact N-O 3.49Å; D316-R320 VanDerWaalsContact N-O 3.11Å; D316-R320 WeakPolarHBondContact OD1-CB 3.41Å; D316-R320 PolarHBondContact OD1-N 3.32Å; D316-R320 IonicContact OD1-NE 2.68Å; D316-R320 IonicContact OD2-CZ 2.79Å; D316-R320 IonicContact OD2-NE 2.73Å; D316-R320 PolarHBondContact OD2-NE 2.78Å; D316-R320 IonicContact OD2-NH2 3.92Å; D316-R320 PolarHBondContact OD2-NH2 3.14Å; E318-R320 HydrophobicContact CB-CG 4.14Å; E318-R320 PolarHBondContact O-N 2.95Å; E318-R320 IonicContact OE1-NH1 2.99Å; E318-R320 IonicContact OE2-CZ 2.72Å; E318-R320 IonicContact OE2-NE 3.2Å; E318-R320 IonicContact OE2-NH1 3.32Å; E318-R320 PolarHBondContact OE2-NH1 3.29Å; E318-R320 IonicContact OE2-NH2 2.79Å; R320-Y322 HydrophobicContact CB-CE2 3.91Å; R320-Y322 PolarHBondContact NE-OH 2.89Å; R320-Y322 WeakPolarHBondContact O-CE2 3.41Å | ||
| 321 | K | 96.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.9 | -173.6 | -56.8 | 177.1 | -171.8 | 170.7 | 0 | 109 | L299 V313 A314 F315 S347 F348 | L299-K321 HydrophobicContact CD1-CD 4.36Å; L299-K321 HydrophobicContact CD2-CB 4.14Å; L299-K321 HydrophobicContact CD2-CD 3.62Å; L299-K321 HydrophobicContact CG-CD 4.27Å; V313-K321 HydrophobicContact CG1-CB 4.29Å; A314-K321 CarbonylContact O-C 3.56Å; A314-K321 VanDerWaalsContact O-CA 3.32Å; A314-K321 WeakPolarHBondContact O-CA 3.05Å; F315-K321 HydrophobicContact CD1-CG 3.94Å; F315-K321 HydrophobicContact CE1-CD 4.17Å; F315-K321 HydrophobicContact CE1-CG 3.83Å; K321-S347 CarbonylContact O-C 3.5Å; K321-S347 WeakPolarHBondContact O-CA 3.49Å; K321-F348 HydrophobicContact CB-CB 4.28Å; K321-F348 WeakPolarHBondContact O-CB 3.38Å; K321-F348 PolarHBondContact O-N 3.09Å |
| 322 | Y | 97.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.6 | 177.1 | -58.1 | -101 | 0 | 0 | 0 | 108 | V313 A314 D316 R320 F340 L345 E346 | V313-Y322 CarbonylContact C-O 3.31Å; V313-Y322 VanDerWaalsContact CA-O 3.24Å; V313-Y322 WeakPolarHBondContact CA-O 3.25Å; A314-Y322 PolarHBondContact N-O 2.94Å; A314-Y322 PolarHBondContact O-N 2.81Å; D316-Y322 HydrophobicContact CB-CE2 4.01Å; D316-Y322 PolarHBondContact OD2-OH 2.66Å; R320-Y322 HydrophobicContact CB-CE2 3.91Å; R320-Y322 PolarHBondContact NE-OH 2.89Å; R320-Y322 WeakPolarHBondContact O-CE2 3.41Å; Y322-F340 AromaticContact CD2-CD2 3.9Å; Y322-F340 HydrophobicContact CD2-CD2 3.9Å; Y322-F340 AromaticContact CD2-CE2 3.48Å; Y322-F340 HydrophobicContact CD2-CE2 3.48Å; Y322-F340 VanDerWaalsContact CD2-CE2 3.48Å; Y322-F340 HydrophobicContact CE2-CD2 4.3Å; Y322-F340 AromaticContact CE2-CE2 3.7Å; Y322-F340 HydrophobicContact CE2-CE2 3.7Å; Y322-F340 HydrophobicContact CG-CD2 4.06Å; Y322-F340 HydrophobicContact CG-CE2 4.12Å; Y322-L345 HydrophobicContact CD1-CB 3.61Å; Y322-L345 HydrophobicContact CE1-CB 4.18Å; Y322-L345 WeakPolarHBondContact CE1-O 3.16Å; Y322-E346 VanDerWaalsContact CD1-O 3.25Å; Y322-E346 WeakPolarHBondContact CD1-O 3.35Å |
| 323 | V | 96.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 13% | 0.127 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.6 | -175.2 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | L299 L301 E325 F348 | L299-V323 HydrophobicContact CD2-CG2 4.35Å; L301-V323 HydrophobicContact CD1-CG1 4.06Å; L301-V323 HydrophobicContact CD1-CG2 4.08Å; L301-V323 HydrophobicContact CD2-CG1 3.85Å; L301-V323 HydrophobicContact CG-CG1 4.47Å; V323-E325 PolarHBondContact O-N 3.47Å; V323-F348 HydrophobicContact CG2-CB 4.15Å; V323-F348 HydrophobicContact CG2-CD2 3.73Å; V323-F348 HydrophobicContact CG2-CG 4.18Å |
| 324 | M | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | trans | -74.1 | 115.9 | 173.2 | -169.8 | 179.9 | 80.6 | 0 | 0 | 109.8 | I312 K326 F328 F336 | I312-M324 HydrophobicContact CB-CB 3.77Å; I312-M324 HydrophobicContact CB-CE 4.05Å; I312-M324 HydrophobicContact CB-SD 4.1Å; I312-M324 HydrophobicContact CG1-CE 3.5Å; I312-M324 HydrophobicContact CG1-SD 4Å; I312-M324 HydrophobicContact CG2-CB 4.27Å; I312-M324 HydrophobicContact CG2-SD 4.43Å; I312-M324 PolarHBondContact O-N 2.94Å; M324-K326 VanDerWaalsContact CE-O 3.22Å; M324-K326 WeakPolarHBondContact CE-O 3.2Å; M324-F328 HydrophobicContact CE-CB 4.22Å; M324-F328 HydrophobicContact CE-CD2 4.36Å; M324-F336 HydrophobicContact CB-CD1 4.2Å; M324-F336 HydrophobicContact CB-CD2 3.64Å; M324-F336 HydrophobicContact CB-CE1 4.29Å; M324-F336 HydrophobicContact CB-CE2 3.74Å; M324-F336 HydrophobicContact CB-CG 3.88Å; M324-F336 HydrophobicContact CB-CZ 4.07Å; M324-F336 HydrophobicContact CG-CB 3.93Å; M324-F336 HydrophobicContact CG-CD1 4.43Å; M324-F336 HydrophobicContact CG-CD2 3.74Å; M324-F336 HydrophobicContact CG-CE2 4.35Å; M324-F336 HydrophobicContact CG-CG 3.78Å; M324-F336 HydrophobicContact SD-CB 3.85Å; M324-F336 HydrophobicContact SD-CD1 4.44Å; M324-F336 HydrophobicContact SD-CG 4.08Å | ||
| 325 | E | 91.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | trans | -80.2 | -31.3 | -179 | -67.6 | -62.7 | 172.1 | 0 | 0 | 113.4 | R308 V323 | R308-E325 PolarHBondContact NH2-O 3.03Å; R308-E325 IonicContact NH2-OE2 2.72Å; R308-E325 PolarHBondContact NH2-OE2 3.45Å; V323-E325 PolarHBondContact O-N 3.47Å | ||
| 326 | K | 93.7 | Very high | 96.4 | Very high | 110 Ų | 110 | 66.3 Ų | 66.3 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -65.7 | 147.9 | 177.3 | -70 | 177.4 | 173.4 | 175.4 | 0 | 110.7 | M324 A332 E335 | M324-K326 VanDerWaalsContact CE-O 3.22Å; M324-K326 WeakPolarHBondContact CE-O 3.2Å; K326-A332 HydrophobicContact CB-CB 4.14Å; K326-A332 HydrophobicContact CD-CB 4.49Å; K326-E335 IonicContact NZ-OE1 3.17Å; K326-E335 PolarHBondContact NZ-OE1 3.44Å; K326-E335 IonicContact NZ-OE2 2.81Å; K326-E335 PolarHBondContact NZ-OE2 2.8Å |
| 327 | E | 94.1 | Very high | 96.4 | Very high | 140 Ų | 140 | 65.7 Ų | 65.7 | 65% | 0.654 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 147.1 | 169.2 | -69.4 | -172.3 | 167.6 | 0 | 0 | 110.8 | S329 | E327-S329 PolarHBondContact O-N 2.87Š|
| 328 | F | 96.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 119 | -175.3 | 174 | -108.2 | 0 | 0 | 0 | 113 | R270 I271 P310 I312 M324 L333 | R270-F328 HydrophobicContact CB-CE1 4.14Å; R270-F328 HydrophobicContact CB-CZ 3.83Å; I271-F328 HydrophobicContact CD1-CD2 4.37Å; I271-F328 HydrophobicContact CD1-CE2 3.38Å; I271-F328 HydrophobicContact CD1-CZ 3.57Å; P310-F328 HydrophobicContact CG-CB 3.89Å; P310-F328 HydrophobicContact CG-CD1 3.65Å; P310-F328 HydrophobicContact CG-CD2 3.92Å; P310-F328 HydrophobicContact CG-CE1 4.12Å; P310-F328 HydrophobicContact CG-CE2 4.4Å; P310-F328 HydrophobicContact CG-CG 3.52Å; P310-F328 HydrophobicContact CG-CZ 4.47Å; I312-F328 HydrophobicContact CD1-CD2 4.09Å; I312-F328 HydrophobicContact CD1-CE2 4.42Å; I312-F328 HydrophobicContact CG1-CD2 4.18Å; M324-F328 HydrophobicContact CE-CB 4.22Å; M324-F328 HydrophobicContact CE-CD2 4.36Å; F328-L333 HydrophobicContact CE2-CB 4.18Å; F328-L333 HydrophobicContact CE2-CD2 4.09Å |
| 329 | S | 97.2 | Very high | 96.8 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -139.6 | 166.7 | 163 | 79 | 0 | 0 | 0 | 0 | 109.6 | E327 D331 A332 L333 | E327-S329 PolarHBondContact O-N 2.87Å; S329-D331 PolarHBondContact O-N 2.92Å; S329-D331 PolarHBondContact OG-N 3.11Å; S329-A332 VanDerWaalsContact OG-CB 3.28Å; S329-A332 WeakPolarHBondContact OG-CB 3.47Å; S329-A332 PolarHBondContact OG-N 3.02Å; S329-L333 WeakPolarHBondContact O-CB 3.35Å; S329-L333 PolarHBondContact O-N 3.08Å | ||
| 330 | V | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | R270 K273 V274 R334 | R270-V330 HydrophobicContact CB-CG2 4.11Å; R270-V330 HydrophobicContact CG-CG2 4.36Å; K273-V330 HydrophobicContact CD-CG1 4.08Å; K273-V330 HydrophobicContact CD-CG2 4.38Å; K273-V330 HydrophobicContact CG-CG1 4.46Å; V274-V330 HydrophobicContact CG2-CG1 3.78Å; V274-V330 WeakPolarHBondContact CG2-O 3.49Å; V330-R334 PolarHBondContact O-N 3.41Å; V330-R334 VanDerWaalsContact O-N 3.09Å |
| 331 | D | 98.5 | Very high | 97.2 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 64% | 0.642 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -75.2 | -42.1 | -178.6 | -57.4 | -33.8 | 0 | 0 | 0 | 111.2 | S329 L333 R334 E335 | S329-D331 PolarHBondContact O-N 2.92Å; S329-D331 PolarHBondContact OG-N 3.11Å; D331-L333 VanDerWaalsContact C-N 3.33Å; D331-L333 PolarHBondContact O-N 2.91Å; D331-R334 WeakPolarHBondContact O-CB 3.3Å; D331-R334 PolarHBondContact O-N 3.23Å; D331-E335 PolarHBondContact O-N 2.97Å |
| 332 | A | 98.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K326 S329 F336 | K326-A332 HydrophobicContact CB-CB 4.14Å; K326-A332 HydrophobicContact CD-CB 4.49Å; S329-A332 VanDerWaalsContact OG-CB 3.28Å; S329-A332 WeakPolarHBondContact OG-CB 3.47Å; S329-A332 PolarHBondContact OG-N 3.02Å; A332-F336 VanDerWaalsContact O-CB 3.31Å; A332-F336 WeakPolarHBondContact O-CB 3.2Å; A332-F336 PolarHBondContact O-N 2.98Å |
| 333 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.8 | 175.5 | 63.1 | 0 | 0 | 0 | 111.3 | I249 I271 V274 I312 F328 S329 D331 F336 V337 | I249-L333 HydrophobicContact CG2-CD1 4.28Å; I271-L333 HydrophobicContact CB-CD2 4.43Å; I271-L333 HydrophobicContact CD1-CD2 3.64Å; I271-L333 HydrophobicContact CG2-CD2 4.2Å; V274-L333 HydrophobicContact CB-CD2 3.94Å; V274-L333 HydrophobicContact CB-CG 4.32Å; V274-L333 HydrophobicContact CG1-CD2 4.38Å; V274-L333 HydrophobicContact CG1-CG 4.25Å; V274-L333 HydrophobicContact CG2-CB 4.37Å; V274-L333 HydrophobicContact CG2-CD2 3.83Å; V274-L333 HydrophobicContact CG2-CG 4.16Å; I312-L333 HydrophobicContact CG1-CD1 4.49Å; I312-L333 HydrophobicContact CG2-CD1 3.89Å; F328-L333 HydrophobicContact CE2-CB 4.18Å; F328-L333 HydrophobicContact CE2-CD2 4.09Å; S329-L333 WeakPolarHBondContact O-CB 3.35Å; S329-L333 PolarHBondContact O-N 3.08Å; D331-L333 VanDerWaalsContact C-N 3.33Å; D331-L333 PolarHBondContact O-N 2.91Å; L333-F336 PolarHBondContact O-N 3.36Å; L333-V337 HydrophobicContact CD1-CG2 4.04Å; L333-V337 HydrophobicContact CG-CG2 4.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.25Å; L333-V337 PolarHBondContact O-N 3.01Å |
| 334 | R | 98.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 179 | -176.2 | 177.1 | -60.4 | -78.4 | 0.8 | 111.6 | V274 D277 Y278 V330 D331 F336 V337 E338 | V274-R334 HydrophobicContact CG1-CB 4.17Å; D277-R334 IonicContact OD2-CZ 3.16Å; D277-R334 IonicContact OD2-NH1 2.71Å; D277-R334 PolarHBondContact OD2-NH1 2.9Å; D277-R334 IonicContact OD2-NH2 3.85Å; D277-R334 PolarHBondContact OD2-NH2 3.2Å; Y278-R334 WeakPolarHBondContact OH-CG 3.41Å; Y278-R334 PolarHBondContact OH-NH1 2.83Å; V330-R334 PolarHBondContact O-N 3.41Å; V330-R334 VanDerWaalsContact O-N 3.09Å; D331-R334 WeakPolarHBondContact O-CB 3.3Å; D331-R334 PolarHBondContact O-N 3.23Å; R334-F336 VanDerWaalsContact C-N 3.31Å; R334-F336 PolarHBondContact O-N 2.98Å; R334-V337 PolarHBondContact O-N 2.9Å; R334-E338 WeakPolarHBondContact O-CG 3.5Å; R334-E338 PolarHBondContact O-N 2.99Å |
| 335 | E | 98.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56 | -47.9 | 175.5 | -175.4 | -173 | 166.9 | 0 | 0 | 110.8 | K326 D331 V337 E338 D339 | K326-E335 IonicContact NZ-OE1 3.17Å; K326-E335 PolarHBondContact NZ-OE1 3.44Å; K326-E335 IonicContact NZ-OE2 2.81Å; K326-E335 PolarHBondContact NZ-OE2 2.8Å; D331-E335 PolarHBondContact O-N 2.97Å; E335-V337 PolarHBondContact O-N 3.46Å; E335-E338 PolarHBondContact O-N 3.2Å; E335-D339 PolarHBondContact O-N 3.17Å |
| 336 | F | 98.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 177.4 | 178.9 | -103.3 | 0 | 0 | 0 | 112.8 | I312 A314 M324 A332 L333 R334 E338 F340 L345 | I312-F336 HydrophobicContact CG2-CD1 3.9Å; I312-F336 HydrophobicContact CG2-CE1 3.72Å; A314-F336 HydrophobicContact CB-CE1 3.84Å; A314-F336 HydrophobicContact CB-CZ 3.94Å; M324-F336 HydrophobicContact CB-CD1 4.2Å; M324-F336 HydrophobicContact CB-CD2 3.64Å; M324-F336 HydrophobicContact CB-CE1 4.29Å; M324-F336 HydrophobicContact CB-CE2 3.74Å; M324-F336 HydrophobicContact CB-CG 3.88Å; M324-F336 HydrophobicContact CB-CZ 4.07Å; M324-F336 HydrophobicContact CG-CB 3.93Å; M324-F336 HydrophobicContact CG-CD1 4.43Å; M324-F336 HydrophobicContact CG-CD2 3.74Å; M324-F336 HydrophobicContact CG-CE2 4.35Å; M324-F336 HydrophobicContact CG-CG 3.78Å; M324-F336 HydrophobicContact SD-CB 3.85Å; M324-F336 HydrophobicContact SD-CD1 4.44Å; M324-F336 HydrophobicContact SD-CG 4.08Å; A332-F336 VanDerWaalsContact O-CB 3.31Å; A332-F336 WeakPolarHBondContact O-CB 3.2Å; A332-F336 PolarHBondContact O-N 2.98Å; L333-F336 PolarHBondContact O-N 3.36Å; R334-F336 VanDerWaalsContact C-N 3.31Å; R334-F336 PolarHBondContact O-N 2.98Å; F336-E338 VanDerWaalsContact C-N 3.35Å; F336-F340 WeakPolarHBondContact O-CB 3.42Å; F336-F340 PolarHBondContact O-N 3.44Å; F336-L345 HydrophobicContact CD2-CD1 3.63Å; F336-L345 HydrophobicContact CE2-CD1 3.38Å; F336-L345 HydrophobicContact CG-CD1 4.45Å; F336-L345 HydrophobicContact CZ-CD1 4.02Å |
| 337 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | I249 V274 Y278 V282 F284 L333 R334 E335 F340 L341 | I249-V337 HydrophobicContact CD1-CB 4.08Å; I249-V337 HydrophobicContact CD1-CG1 4.1Å; I249-V337 HydrophobicContact CD1-CG2 3.4Å; V274-V337 HydrophobicContact CG1-CG2 4.22Å; Y278-V337 HydrophobicContact CD1-CG1 3.8Å; Y278-V337 HydrophobicContact CD2-CG1 3.95Å; Y278-V337 HydrophobicContact CE1-CG1 3.82Å; Y278-V337 HydrophobicContact CE2-CG1 3.98Å; Y278-V337 HydrophobicContact CG-CG1 3.89Å; V282-V337 HydrophobicContact CG1-CG1 4.13Å; F284-V337 HydrophobicContact CE1-CG2 3.87Å; F284-V337 HydrophobicContact CZ-CG1 4.25Å; F284-V337 HydrophobicContact CZ-CG2 3.85Å; L333-V337 HydrophobicContact CD1-CG2 4.04Å; L333-V337 HydrophobicContact CG-CG2 4.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.25Å; L333-V337 PolarHBondContact O-N 3.01Å; R334-V337 PolarHBondContact O-N 2.9Å; E335-V337 PolarHBondContact O-N 3.46Å; V337-F340 PolarHBondContact O-N 2.97Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.43Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 VanDerWaalsContact O-CG 3.28Å; V337-L341 WeakPolarHBondContact O-CG 3.46Å; V337-L341 PolarHBondContact O-N 2.83Å |
| 338 | E | 98.6 | Very high | 97 | Very high | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | -178.6 | -72.7 | 173.9 | 176.1 | 0 | 0 | 111.9 | Y278 R334 E335 F336 L341 A342 | Y278-E338 HydrophobicContact CE1-CG 4.17Å; Y278-E338 VanDerWaalsContact OH-CG 3.32Å; Y278-E338 WeakPolarHBondContact OH-CG 3.44Å; Y278-E338 PolarHBondContact OH-OE1 2.95Å; R334-E338 WeakPolarHBondContact O-CG 3.5Å; R334-E338 PolarHBondContact O-N 2.99Å; E335-E338 PolarHBondContact O-N 3.2Å; F336-E338 VanDerWaalsContact C-N 3.35Å; E338-L341 PolarHBondContact O-N 2.83Å; E338-A342 WeakPolarHBondContact O-CB 3.4Å; E338-A342 PolarHBondContact O-N 3.17Å |
| 339 | D | 98.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.193 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.4 | -35 | 176.8 | -74.6 | -18.1 | 0 | 0 | 0 | 112.2 | E335 A342 N343 K344 L345 | E335-D339 PolarHBondContact O-N 3.17Å; D339-A342 PolarHBondContact O-N 3.09Å; D339-N343 PolarHBondContact O-N 2.99Å; D339-K344 HydrophobicContact CB-CB 4.17Å; D339-K344 HydrophobicContact CB-CD 4.38Å; D339-K344 PolarHBondContact O-N 3.43Å; D339-K344 VanDerWaalsContact OD1-CD 3.22Å; D339-K344 WeakPolarHBondContact OD1-CD 3.34Å; D339-K344 IonicContact OD1-NZ 3.22Å; D339-K344 PolarHBondContact OD1-NZ 3.09Å; D339-L345 HydrophobicContact CB-CD2 3.7Å; D339-L345 HydrophobicContact CB-CG 3.98Å |
| 340 | F | 98.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -52.6 | 171.9 | 176.1 | -121.7 | 0 | 0 | 0 | 111.3 | P247 I249 A314 D316 Y322 F336 V337 A342 N343 L345 | P247-F340 HydrophobicContact CB-CE1 3.77Å; P247-F340 HydrophobicContact CB-CZ 4.08Å; I249-F340 HydrophobicContact CD1-CD1 4.33Å; I249-F340 HydrophobicContact CG1-CD1 4.46Å; A314-F340 HydrophobicContact CB-CD1 3.85Å; A314-F340 HydrophobicContact CB-CD2 3.76Å; A314-F340 HydrophobicContact CB-CE1 3.78Å; A314-F340 HydrophobicContact CB-CE2 3.71Å; A314-F340 HydrophobicContact CB-CG 3.84Å; A314-F340 HydrophobicContact CB-CZ 3.73Å; D316-F340 HydrophobicContact CB-CE2 4.04Å; D316-F340 HydrophobicContact CB-CZ 4.01Å; Y322-F340 AromaticContact CD2-CD2 3.9Å; Y322-F340 HydrophobicContact CD2-CD2 3.9Å; Y322-F340 AromaticContact CD2-CE2 3.48Å; Y322-F340 HydrophobicContact CD2-CE2 3.48Å; Y322-F340 VanDerWaalsContact CD2-CE2 3.48Å; Y322-F340 HydrophobicContact CE2-CD2 4.3Å; Y322-F340 AromaticContact CE2-CE2 3.7Å; Y322-F340 HydrophobicContact CE2-CE2 3.7Å; Y322-F340 HydrophobicContact CG-CD2 4.06Å; Y322-F340 HydrophobicContact CG-CE2 4.12Å; F336-F340 WeakPolarHBondContact O-CB 3.42Å; F336-F340 PolarHBondContact O-N 3.44Å; V337-F340 PolarHBondContact O-N 2.97Å; F340-A342 PolarHBondContact O-N 2.87Å; F340-N343 PolarHBondContact O-N 3.5Å; F340-L345 HydrophobicContact CB-CD1 3.66Å; F340-L345 HydrophobicContact CD2-CD1 4.41Å; F340-L345 HydrophobicContact CG-CD1 4.5Å |
| 341 | L | 97.8 | Very high | 95.8 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -24.3 | 178.7 | -70.5 | 174.9 | 0 | 0 | 0 | 113.1 | Y278 V282 V337 E338 N343 | Y278-L341 HydrophobicContact CD1-CD1 3.7Å; Y278-L341 HydrophobicContact CE1-CD1 4.16Å; V282-L341 HydrophobicContact CB-CD2 4.35Å; V282-L341 HydrophobicContact CG1-CD1 4.24Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.43Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 VanDerWaalsContact O-CG 3.28Å; V337-L341 WeakPolarHBondContact O-CG 3.46Å; V337-L341 PolarHBondContact O-N 2.83Å; E338-L341 PolarHBondContact O-N 2.83Å; L341-N343 VanDerWaalsContact C-N 3.33Å |
| 342 | A | 97.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E338 D339 F340 K344 | E338-A342 WeakPolarHBondContact O-CB 3.4Å; E338-A342 PolarHBondContact O-N 3.17Å; D339-A342 PolarHBondContact O-N 3.09Å; F340-A342 PolarHBondContact O-N 2.87Å; A342-K344 HydrophobicContact CB-CD 4.1Å; A342-K344 HydrophobicContact CB-CG 3.99Å; A342-K344 PolarHBondContact O-N 3.07Å |
| 343 | N | 96.3 | Very high | 95.1 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 34.2 | -175.8 | -58.1 | -55.1 | 0 | 0 | 0 | 113.9 | D339 F340 L341 | D339-N343 PolarHBondContact O-N 2.99Å; F340-N343 PolarHBondContact O-N 3.5Å; L341-N343 VanDerWaalsContact C-N 3.33Å |
| 344 | K | 97.6 | Very high | 94.8 | Very high | 146 Ų | 146 | 67.4 Ų | 67.4 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | trans | -93.2 | -13.3 | 178.6 | -65.6 | 175 | -172.7 | 169 | 0 | 113.6 | D339 A342 | D339-K344 HydrophobicContact CB-CB 4.17Å; D339-K344 HydrophobicContact CB-CD 4.38Å; D339-K344 PolarHBondContact O-N 3.43Å; D339-K344 VanDerWaalsContact OD1-CD 3.22Å; D339-K344 WeakPolarHBondContact OD1-CD 3.34Å; D339-K344 IonicContact OD1-NZ 3.22Å; D339-K344 PolarHBondContact OD1-NZ 3.09Å; A342-K344 HydrophobicContact CB-CD 4.1Å; A342-K344 HydrophobicContact CB-CG 3.99Å; A342-K344 PolarHBondContact O-N 3.07Å | ||
| 345 | L | 96.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -85.1 | 145.7 | -179.7 | -58.4 | -178.1 | 0 | 0 | 0 | 110.8 | Y322 F336 D339 F340 | Y322-L345 HydrophobicContact CD1-CB 3.61Å; Y322-L345 HydrophobicContact CE1-CB 4.18Å; Y322-L345 WeakPolarHBondContact CE1-O 3.16Å; F336-L345 HydrophobicContact CD2-CD1 3.63Å; F336-L345 HydrophobicContact CE2-CD1 3.38Å; F336-L345 HydrophobicContact CG-CD1 4.45Å; F336-L345 HydrophobicContact CZ-CD1 4.02Å; D339-L345 HydrophobicContact CB-CD2 3.7Å; D339-L345 HydrophobicContact CB-CG 3.98Å; F340-L345 HydrophobicContact CB-CD1 3.66Å; F340-L345 HydrophobicContact CD2-CD1 4.41Å; F340-L345 HydrophobicContact CG-CD1 4.5Å |
| 346 | E | 90.9 | Very high | 94.3 | Very high | 180 Ų | 180 | 72.1 Ų | 72.1 | 84% | 0.841 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 137.1 | 166.8 | -65.6 | 180 | 171.2 | 0 | 0 | 109.7 | Y322 | Y322-E346 VanDerWaalsContact CD1-O 3.25Å; Y322-E346 WeakPolarHBondContact CD1-O 3.35Å |
| 347 | S | 92.9 | Very high | 94 | Very high | 48 Ų | 48 | 79.1 Ų | 79.1 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 145.4 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | K321 V349 | K321-S347 CarbonylContact O-C 3.5Å; K321-S347 WeakPolarHBondContact O-CA 3.49Å; S347-V349 PolarHBondContact O-N 2.92Å |
| 348 | F | 90.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 81.6 Ų | 81.6 | 20% | 0.197 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 123.2 | 170.5 | 179.2 | -89.6 | 0 | 0 | 0 | 110 | L299 K321 V323 K350 | L299-F348 VanDerWaalsContact C-CZ 3.48Å; L299-F348 VanDerWaalsContact CA-CZ 3.44Å; L299-F348 HydrophobicContact CB-CE1 4.48Å; L299-F348 HydrophobicContact CB-CE2 4.47Å; L299-F348 HydrophobicContact CB-CZ 4.28Å; L299-F348 HydrophobicContact CD2-CB 4.16Å; L299-F348 HydrophobicContact CD2-CD1 3.27Å; L299-F348 HydrophobicContact CD2-CD2 4.04Å; L299-F348 HydrophobicContact CD2-CE1 3.56Å; L299-F348 HydrophobicContact CD2-CE2 4.29Å; L299-F348 HydrophobicContact CD2-CG 3.54Å; L299-F348 HydrophobicContact CD2-CZ 4.07Å; L299-F348 WeakPolarHBondContact O-CE2 3.31Å; L299-F348 VanDerWaalsContact O-CZ 3.26Å; L299-F348 WeakPolarHBondContact O-CZ 3.26Å; K321-F348 HydrophobicContact CB-CB 4.28Å; K321-F348 WeakPolarHBondContact O-CB 3.38Å; K321-F348 PolarHBondContact O-N 3.09Å; V323-F348 HydrophobicContact CG2-CB 4.15Å; V323-F348 HydrophobicContact CG2-CD2 3.73Å; V323-F348 HydrophobicContact CG2-CG 4.18Å; F348-K350 HydrophobicContact CE1-CB 4.07Å |
| 349 | V | 87 | Confident | 93.3 | Very high | 43 Ų | 43 | 83.5 Ų | 83.5 | 26% | 0.261 | 44% | 0.436 | S | S | . | . | trans | -112.8 | 127.1 | 167.2 | -178.1 | 0 | 0 | 0 | 0 | 106.7 | S347 S351 E422 | S347-V349 PolarHBondContact O-N 2.92Å; V349-S351 PolarHBondContact O-N 3.22Å; V349-E422 HydrophobicContact CG1-CB 3.92Å | ||
| 350 | K | 88.2 | Confident | 93.1 | Very high | 90 Ų | 90 | 83.7 Ų | 83.7 | 39% | 0.391 | 45% | 0.446 | S | S | . | . | trans | -60 | 117.7 | 171.7 | -177.1 | -173.9 | 170.8 | -170.6 | 0 | 107.8 | F348 T419 A420 N421 E422 | F348-K350 HydrophobicContact CE1-CB 4.07Å; K350-T419 PolarHBondContact NZ-O 3.21Å; K350-A420 WeakPolarHBondContact CE-O 3.29Å; K350-N421 CarbonylContact O-C 3.18Å; K350-N421 WeakPolarHBondContact O-CA 3.38Å; K350-E422 HydrophobicContact CB-CB 4.1Å; K350-E422 PolarHBondContact O-N 3.21Å | ||
| 351 | S | 91.9 | Very high | 93 | Very high | 28 Ų | 28 | 85.2 Ų | 85.2 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | trans | -152.2 | 141.1 | -172.2 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | V349 V366 G367 R368 N421 | V349-S351 PolarHBondContact O-N 3.22Å; S351-V366 WeakPolarHBondContact OG-CB 3.46Å; S351-V366 WeakPolarHBondContact OG-CG2 2.94Å; S351-G367 PolarHBondContact OG-N 3.37Å; S351-G367 VanDerWaalsContact OG-N 3.12Å; S351-R368 PolarHBondContact OG-N 3.3Å; S351-N421 VanDerWaalsContact CA-OD1 3.31Å; S351-N421 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 352 | E | 91.3 | Very high | 93 | Very high | 68 Ų | 68 | 83.2 Ų | 83.2 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 162.5 | 159.4 | -68.1 | 177.3 | 99.4 | 0 | 0 | 110.5 | V366 A420 N421 | E352-V366 HydrophobicContact CB-CB 4.35Å; E352-V366 HydrophobicContact CB-CG1 3.82Å; E352-A420 HydrophobicContact CG-CB 3.53Å; E352-N421 PolarHBondContact N-OD1 3.16Å; E352-N421 PolarHBondContact OE2-ND2 3.12Å |
| 353 | P | 89.2 | Confident | 93 | Very high | 110 Ų | 110 | 82.2 Ų | 82.2 | 71% | 0.714 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 141.5 | 170.2 | -23.5 | 34.2 | 0 | 0 | 0 | 111.1 | P355 | P353-P355 WeakPolarHBondContact O-CD 3.35Š|
| 354 | V | 92.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 124.5 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | E356 V366 R368 T369 | V354-E356 PolarHBondContact O-N 3.48Å; V354-V366 HydrophobicContact CG2-CG2 4.2Å; V354-R368 HydrophobicContact CG2-CB 4.25Å; V354-T369 HydrophobicContact CB-CG2 4.4Å; V354-T369 HydrophobicContact CG1-CG2 3.72Å; V354-T369 HydrophobicContact CG2-CG2 3.89Å |
| 355 | P | 93.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 70.8 Ų | 70.8 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 133.7 | 178.5 | -25.1 | 33.6 | 0 | 0 | 0 | 111.4 | P353 K357 V364 | P353-P355 WeakPolarHBondContact O-CD 3.35Å; P355-K357 WeakPolarHBondContact CB-O 3.47Å; P355-K357 PolarHBondContact O-N 3.23Å; P355-V364 HydrophobicContact CG-CB 4.1Å; P355-V364 HydrophobicContact CG-CG1 3.89Å |
| 356 | E | 92.5 | Very high | 93.1 | Very high | 200 Ų | 200 | 68.7 Ų | 68.7 | 94% | 0.935 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -61.1 | -28.8 | 177 | -65.8 | -175.6 | 170.7 | 0 | 0 | 112.5 | V354 | V354-E356 PolarHBondContact O-N 3.48Š|
| 357 | K | 93.3 | Very high | 93.2 | Very high | 161 Ų | 161 | 60.5 Ų | 60.5 | 70% | 0.7 | 34% | 0.336 | S | S | * | . | trans | -140.5 | 148 | 177.2 | -63.5 | -174.6 | -178.1 | -178.7 | 0 | 110.2 | P355 | P355-K357 WeakPolarHBondContact CB-O 3.47Å; P355-K357 PolarHBondContact O-N 3.23Å | ||
| 358 | N | 93.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | trans | -135 | 36.8 | -179 | -144.5 | -12.5 | 0 | 0 | 0 | 112.1 | G360 T363 V364 | N358-G360 VanDerWaalsContact C-N 3.26Å; N358-G360 PolarHBondContact O-N 3.5Å; N358-T363 VanDerWaalsContact ND2-CG2 3.29Å; N358-T363 WeakPolarHBondContact ND2-CG2 3.47Å; N358-T363 WeakPolarHBondContact OD1-CA 3.34Å; N358-V364 PolarHBondContact ND2-O 3.47Å; N358-V364 PolarHBondContact OD1-N 2.95Å | ||
| 359 | D | 90.5 | Very high | 93.4 | Very high | 135 Ų | 135 | 63.6 Ų | 63.6 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | trans | -83.8 | 2.8 | -171.8 | -51.8 | -39.6 | 0 | 0 | 0 | 113.8 | ||||
| 360 | G | 93.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -67.8 | 165.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | N358 V362 | N358-G360 VanDerWaalsContact C-N 3.26Å; N358-G360 PolarHBondContact O-N 3.5Å; G360-V362 PolarHBondContact O-N 2.96Å |
| 361 | P | 95.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -64.4 | -22.7 | 174.7 | 28.5 | -34.9 | 0 | 0 | 0 | 112.8 | E400 G403 T404 | P361-E400 HydrophobicContact CG-CB 4.16Å; P361-E400 HydrophobicContact CG-CG 4.25Å; P361-G403 CarbonylContact O-C 3.56Å; P361-G403 WeakPolarHBondContact O-CA 3.12Å; P361-T404 VanDerWaalsContact CB-OG1 3.3Å; P361-T404 WeakPolarHBondContact CB-OG1 3.46Å |
| 362 | V | 98.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -120.7 | 122 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | G360 V364 Y399 E400 I413 K415 | G360-V362 PolarHBondContact O-N 2.96Å; V362-V364 PolarHBondContact O-N 2.72Å; V362-Y399 HydrophobicContact CG1-CD1 3.92Å; V362-Y399 HydrophobicContact CG1-CE1 3.86Å; V362-Y399 HydrophobicContact CG2-CD1 3.93Å; V362-Y399 HydrophobicContact CG2-CE1 4.49Å; V362-E400 HydrophobicContact CG2-CB 4.5Å; V362-E400 HydrophobicContact CG2-CG 4.02Å; V362-I413 CarbonylContact C-O 3.58Å; V362-I413 WeakPolarHBondContact CA-O 3.36Å; V362-I413 HydrophobicContact CG1-CG2 4.29Å; V362-I413 HydrophobicContact CG2-CG2 4.09Å; V362-K415 HydrophobicContact CB-CD 4.44Å; V362-K415 HydrophobicContact CG1-CB 3.84Å; V362-K415 HydrophobicContact CG1-CD 3.86Å; V362-K415 HydrophobicContact CG1-CG 3.69Å |
| 363 | T | 97.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 123 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | N358 I373 V412 I413 A414 K415 | N358-T363 VanDerWaalsContact ND2-CG2 3.29Å; N358-T363 WeakPolarHBondContact ND2-CG2 3.47Å; N358-T363 WeakPolarHBondContact OD1-CA 3.34Å; T363-I373 HydrophobicContact CG2-CD1 4.04Å; T363-I373 HydrophobicContact CG2-CG2 3.9Å; T363-V412 HydrophobicContact CG2-CG1 4.44Å; T363-V412 WeakPolarHBondContact OG1-CG1 3.44Å; T363-I413 PolarHBondContact N-O 3.04Å; T363-A414 CarbonylContact O-C 3.44Å; T363-A414 WeakPolarHBondContact O-CA 3.44Å; T363-K415 PolarHBondContact O-N 2.87Å |
| 364 | V | 98.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122.8 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | P355 N358 V362 V366 | P355-V364 HydrophobicContact CG-CB 4.1Å; P355-V364 HydrophobicContact CG-CG1 3.89Å; N358-V364 PolarHBondContact ND2-O 3.47Å; N358-V364 PolarHBondContact OD1-N 2.95Å; V362-V364 PolarHBondContact O-N 2.72Å; V364-V366 HydrophobicContact CG1-CG1 4.48Å |
| 365 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -107.8 | 133.6 | 176 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | F370 I373 V374 I382 A414 K415 M416 | V365-F370 HydrophobicContact CG1-CB 3.99Å; V365-F370 HydrophobicContact CG1-CD2 3.67Å; V365-F370 HydrophobicContact CG1-CG 4.17Å; V365-I373 HydrophobicContact CG2-CB 4.1Å; V365-I373 HydrophobicContact CG2-CD1 4.02Å; V365-I373 HydrophobicContact CG2-CG2 3.69Å; V365-V374 HydrophobicContact CG1-CG2 4.41Å; V365-I382 HydrophobicContact CB-CD1 4.19Å; V365-I382 HydrophobicContact CG1-CD1 4.26Å; V365-I382 HydrophobicContact CG2-CD1 4.2Å; V365-A414 HydrophobicContact CG2-CB 3.79Å; V365-K415 PolarHBondContact N-O 3.23Å; V365-M416 HydrophobicContact CB-CB 4.23Å; V365-M416 HydrophobicContact CG1-SD 4.09Å; V365-M416 WeakPolarHBondContact O-CA 3.1Å; V365-M416 WeakPolarHBondContact O-CB 3.28Å; V365-M416 VanDerWaalsContact O-CG 3.26Å; V365-M416 WeakPolarHBondContact O-CG 3.36Å | ||
| 366 | V | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | trans | -118.9 | 165.6 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | S351 E352 V354 V364 R368 T369 F370 N421 | S351-V366 WeakPolarHBondContact OG-CB 3.46Å; S351-V366 WeakPolarHBondContact OG-CG2 2.94Å; E352-V366 HydrophobicContact CB-CB 4.35Å; E352-V366 HydrophobicContact CB-CG1 3.82Å; V354-V366 HydrophobicContact CG2-CG2 4.2Å; V364-V366 HydrophobicContact CG1-CG1 4.48Å; V366-R368 HydrophobicContact CG2-CB 4.5Å; V366-R368 PolarHBondContact O-N 3.02Å; V366-R368 VanDerWaalsContact O-N 3.1Å; V366-T369 HydrophobicContact CG2-CG2 4.05Å; V366-T369 WeakPolarHBondContact CG2-OG1 3.25Å; V366-T369 PolarHBondContact N-OG1 2.9Å; V366-T369 VanDerWaalsContact N-OG1 3.14Å; V366-T369 PolarHBondContact O-N 3.14Å; V366-T369 PolarHBondContact O-OG1 3.28Å; V366-F370 PolarHBondContact O-N 3.25Å; V366-N421 VanDerWaalsContact CA-OD1 3.29Å; V366-N421 WeakPolarHBondContact CA-OD1 3.14Å; V366-N421 VanDerWaalsContact CB-OD1 3.32Å; V366-N421 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 367 | G | 93.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 57 Ų | 57 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -51.2 | -40.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S351 T369 N421 | S351-G367 PolarHBondContact OG-N 3.37Å; S351-G367 VanDerWaalsContact OG-N 3.12Å; G367-T369 PolarHBondContact O-N 3.43Å; G367-N421 PolarHBondContact N-OD1 3.01Å |
| 368 | R | 91.2 | Very high | 94.9 | Very high | 145 Ų | 145 | 53 Ų | 53 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -71.4 | -25 | 178.7 | -73.4 | 174.5 | -175.4 | -176.1 | -2.6 | 115.1 | S351 V354 V366 | S351-R368 PolarHBondContact OG-N 3.3Å; V354-R368 HydrophobicContact CG2-CB 4.25Å; V366-R368 HydrophobicContact CG2-CB 4.5Å; V366-R368 PolarHBondContact O-N 3.02Å; V366-R368 VanDerWaalsContact O-N 3.1Å |
| 369 | T | 95.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -105 | 1.2 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 113 | V354 V366 G367 E371 E372 I373 | V354-T369 HydrophobicContact CB-CG2 4.4Å; V354-T369 HydrophobicContact CG1-CG2 3.72Å; V354-T369 HydrophobicContact CG2-CG2 3.89Å; V366-T369 HydrophobicContact CG2-CG2 4.05Å; V366-T369 WeakPolarHBondContact CG2-OG1 3.25Å; V366-T369 PolarHBondContact N-OG1 2.9Å; V366-T369 VanDerWaalsContact N-OG1 3.14Å; V366-T369 PolarHBondContact O-N 3.14Å; V366-T369 PolarHBondContact O-OG1 3.28Å; G367-T369 PolarHBondContact O-N 3.43Å; T369-E371 PolarHBondContact O-N 2.98Å; T369-E372 PolarHBondContact O-N 3.18Å; T369-I373 WeakPolarHBondContact O-CB 3.17Å; T369-I373 WeakPolarHBondContact O-CG1 3.13Å; T369-I373 PolarHBondContact O-N 2.99Å |
| 370 | F | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -53.7 | -175.5 | -169.4 | -79.3 | 0 | 0 | 0 | 112 | V365 V366 E372 I373 V374 I382 F384 M416 P424 Y427 | V365-F370 HydrophobicContact CG1-CB 3.99Å; V365-F370 HydrophobicContact CG1-CD2 3.67Å; V365-F370 HydrophobicContact CG1-CG 4.17Å; V366-F370 PolarHBondContact O-N 3.25Å; F370-E372 PolarHBondContact O-N 3.37Å; F370-I373 PolarHBondContact O-N 2.97Å; F370-V374 HydrophobicContact CD1-CB 4.06Å; F370-V374 HydrophobicContact CD1-CG2 4.04Å; F370-V374 HydrophobicContact CD2-CG2 4.04Å; F370-V374 HydrophobicContact CE1-CB 3.78Å; F370-V374 HydrophobicContact CE1-CG1 3.9Å; F370-V374 HydrophobicContact CE1-CG2 3.86Å; F370-V374 HydrophobicContact CE2-CG2 3.88Å; F370-V374 HydrophobicContact CG-CG2 4.13Å; F370-V374 HydrophobicContact CZ-CB 4.12Å; F370-V374 HydrophobicContact CZ-CG1 4.03Å; F370-V374 HydrophobicContact CZ-CG2 3.8Å; F370-V374 WeakPolarHBondContact O-CB 3.32Å; F370-V374 WeakPolarHBondContact O-CG2 3.32Å; F370-V374 PolarHBondContact O-N 3.39Å; F370-I382 HydrophobicContact CD2-CD1 4.23Å; F370-I382 HydrophobicContact CE2-CD1 3.61Å; F370-I382 HydrophobicContact CZ-CD1 4.35Å; F370-F384 AromaticContact CE2-CE1 3.69Å; F370-F384 HydrophobicContact CE2-CE1 3.69Å; F370-F384 AromaticContact CE2-CZ 3.68Å; F370-F384 HydrophobicContact CE2-CZ 3.68Å; F370-F384 HydrophobicContact CZ-CE1 4.4Å; F370-F384 AromaticContact CZ-CZ 3.97Å; F370-F384 HydrophobicContact CZ-CZ 3.97Å; F370-M416 HydrophobicContact CD2-CE 4.19Å; F370-M416 HydrophobicContact CD2-SD 3.62Å; F370-M416 HydrophobicContact CE2-CE 4.35Å; F370-M416 HydrophobicContact CE2-SD 4.16Å; F370-P424 HydrophobicContact CB-CG 4.45Å; F370-P424 HydrophobicContact CD1-CG 3.22Å; F370-P424 HydrophobicContact CD2-CG 4.12Å; F370-P424 HydrophobicContact CE1-CG 3.3Å; F370-P424 HydrophobicContact CE2-CG 4.18Å; F370-P424 HydrophobicContact CG-CG 3.66Å; F370-P424 HydrophobicContact CZ-CG 3.79Å; F370-Y427 AromaticContact CE1-CD2 3.96Å; F370-Y427 HydrophobicContact CE1-CD2 3.96Å; F370-Y427 AromaticContact CE1-CE2 3.56Å; F370-Y427 HydrophobicContact CE1-CE2 3.56Å; F370-Y427 AromaticContact CZ-CD2 3.58Å; F370-Y427 HydrophobicContact CZ-CD2 3.58Å; F370-Y427 HydrophobicContact CZ-CE1 4.45Å; F370-Y427 AromaticContact CZ-CE2 3.42Å; F370-Y427 HydrophobicContact CZ-CE2 3.42Å; F370-Y427 VanDerWaalsContact CZ-CE2 3.42Å; F370-Y427 HydrophobicContact CZ-CG 4.22Å; F370-Y427 AromaticContact CZ-CZ 3.88Å |
| 371 | E | 93 | Very high | 95.8 | Very high | 106 Ų | 106 | 42.1 Ų | 42.1 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -47.8 | -178.4 | -70.2 | -59.8 | 129.6 | 0 | 0 | 111.6 | T369 I373 N375 | T369-E371 PolarHBondContact O-N 2.98Å; E371-I373 PolarHBondContact O-N 3.45Å; E371-N375 VanDerWaalsContact O-CB 3.26Å; E371-N375 WeakPolarHBondContact O-CB 3.38Å; E371-N375 PolarHBondContact O-N 3.44Å; E371-N375 PolarHBondContact OE2-ND2 3.43Å |
| 372 | E | 94.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 40.1 Ų | 40.1 | 71% | 0.71 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.3 | -46.8 | 179.3 | -174.5 | -170.9 | 164.1 | 0 | 0 | 112.2 | T369 F370 | T369-E372 PolarHBondContact O-N 3.18Å; F370-E372 PolarHBondContact O-N 3.37Å |
| 373 | I | 95.4 | Very high | 96 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -81.9 | -42.2 | -173.8 | -63.4 | 172.3 | 0 | 0 | 0 | 111.3 | T363 V365 T369 F370 E371 Q376 | T363-I373 HydrophobicContact CG2-CD1 4.04Å; T363-I373 HydrophobicContact CG2-CG2 3.9Å; V365-I373 HydrophobicContact CG2-CB 4.1Å; V365-I373 HydrophobicContact CG2-CD1 4.02Å; V365-I373 HydrophobicContact CG2-CG2 3.69Å; T369-I373 WeakPolarHBondContact O-CB 3.17Å; T369-I373 WeakPolarHBondContact O-CG1 3.13Å; T369-I373 PolarHBondContact O-N 2.99Å; F370-I373 PolarHBondContact O-N 2.97Å; E371-I373 PolarHBondContact O-N 3.45Å; I373-Q376 VanDerWaalsContact O-CG 3.28Å; I373-Q376 WeakPolarHBondContact O-CG 3.44Å; I373-Q376 PolarHBondContact O-NE2 3.25Å |
| 374 | V | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -82.8 | -31.9 | -172.1 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | V365 F370 V380 I382 Y427 K443 | V365-V374 HydrophobicContact CG1-CG2 4.41Å; F370-V374 HydrophobicContact CD1-CB 4.06Å; F370-V374 HydrophobicContact CD1-CG2 4.04Å; F370-V374 HydrophobicContact CD2-CG2 4.04Å; F370-V374 HydrophobicContact CE1-CB 3.78Å; F370-V374 HydrophobicContact CE1-CG1 3.9Å; F370-V374 HydrophobicContact CE1-CG2 3.86Å; F370-V374 HydrophobicContact CE2-CG2 3.88Å; F370-V374 HydrophobicContact CG-CG2 4.13Å; F370-V374 HydrophobicContact CZ-CB 4.12Å; F370-V374 HydrophobicContact CZ-CG1 4.03Å; F370-V374 HydrophobicContact CZ-CG2 3.8Å; F370-V374 WeakPolarHBondContact O-CB 3.32Å; F370-V374 WeakPolarHBondContact O-CG2 3.32Å; F370-V374 PolarHBondContact O-N 3.39Å; V374-V380 HydrophobicContact CG1-CG1 4.47Å; V374-V380 HydrophobicContact CG2-CG1 4.43Å; V374-I382 HydrophobicContact CG2-CD1 3.77Å; V374-Y427 HydrophobicContact CG1-CE2 4.47Å; V374-Y427 WeakPolarHBondContact CG1-OH 3.19Å; V374-K443 WeakPolarHBondContact O-CE 3.29Å; V374-K443 PolarHBondContact O-NZ 3.16Å |
| 375 | N | 93 | Very high | 96 | Very high | 63 Ų | 63 | 39 Ų | 39 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -98.7 | 13.5 | -179 | -63.2 | -25.2 | 0 | 0 | 0 | 114.2 | E371 | E371-N375 VanDerWaalsContact O-CB 3.26Å; E371-N375 WeakPolarHBondContact O-CB 3.38Å; E371-N375 PolarHBondContact O-N 3.44Å; E371-N375 PolarHBondContact OE2-ND2 3.43Å |
| 376 | Q | 93.1 | Very high | 96 | Very high | 57 Ų | 57 | 39 Ų | 39 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -61.9 | 165.1 | 168.6 | 72.6 | -175.2 | -58.9 | 0 | 0 | 112.8 | I373 K378 V380 V412 K443 | I373-Q376 VanDerWaalsContact O-CG 3.28Å; I373-Q376 WeakPolarHBondContact O-CG 3.44Å; I373-Q376 PolarHBondContact O-NE2 3.25Å; Q376-K378 HydrophobicContact CG-CB 4Å; Q376-K378 HydrophobicContact CG-CG 4.2Å; Q376-K378 PolarHBondContact O-N 3.36Å; Q376-V380 HydrophobicContact CG-CG2 4.35Å; Q376-V412 VanDerWaalsContact NE2-CG2 3.33Å; Q376-K443 VanDerWaalsContact O-CE 3.24Å; Q376-K443 WeakPolarHBondContact O-CE 3.2Å; Q376-K443 PolarHBondContact O-NZ 3.19Å |
| 377 | D | 94.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 42.1 Ų | 42.1 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -74.2 | 50.4 | 175.7 | -173.2 | 32 | 0 | 0 | 0 | 113.1 | R440 | D377-R440 WeakPolarHBondContact O-CD 3.2Å; D377-R440 WeakPolarHBondContact OD1-CD 3.33Å; D377-R440 WeakPolarHBondContact OD1-CG 3.21Å; D377-R440 IonicContact OD1-CZ 2.83Å; D377-R440 IonicContact OD1-NE 3.53Å; D377-R440 IonicContact OD1-NH1 3.72Å; D377-R440 PolarHBondContact OD1-NH1 3.08Å; D377-R440 VanDerWaalsContact OD1-NH1 3.17Å; D377-R440 IonicContact OD2-NH1 2.73Å |
| 378 | K | 96.8 | Very high | 95.9 | Very high | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -141.4 | 159.1 | 172.2 | -57.9 | -170.4 | 176.9 | 167.1 | 0 | 110.1 | Q376 N410 V412 K443 | Q376-K378 HydrophobicContact CG-CB 4Å; Q376-K378 HydrophobicContact CG-CG 4.2Å; Q376-K378 PolarHBondContact O-N 3.36Å; K378-N410 WeakPolarHBondContact CG-OD1 3.46Å; K378-V412 HydrophobicContact CB-CG2 4.4Å; K378-V412 HydrophobicContact CD-CG2 3.8Å; K378-K443 PolarHBondContact O-NZ 3.09Å |
| 379 | D | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144 | 163.1 | -65.1 | -40.9 | 0 | 0 | 0 | 108.9 | N410 I411 V412 F437 K439 R440 A466 S467 | D379-N410 PolarHBondContact N-O 3.32Å; D379-I411 HydrophobicContact CB-CB 4.5Å; D379-I411 HydrophobicContact CB-CD1 4.3Å; D379-I411 HydrophobicContact CB-CG1 4.02Å; D379-I411 HydrophobicContact CB-CG2 4.4Å; D379-I411 CarbonylContact O-C 3.57Å; D379-I411 VanDerWaalsContact O-CA 3.29Å; D379-I411 WeakPolarHBondContact O-CA 3.44Å; D379-V412 PolarHBondContact O-N 2.97Å; D379-F437 HydrophobicContact CB-CE2 3.78Å; D379-F437 HydrophobicContact CB-CZ 3.66Å; D379-K439 WeakPolarHBondContact OD1-CA 3.4Å; D379-R440 WeakPolarHBondContact OD1-CB 3.49Å; D379-R440 PolarHBondContact OD1-N 2.95Å; D379-A466 WeakPolarHBondContact OD2-CA 3.36Å; D379-S467 WeakPolarHBondContact OD1-CB 3.45Å; D379-S467 PolarHBondContact OD1-OG 3.07Å; D379-S467 WeakPolarHBondContact OD2-CB 3.41Å; D379-S467 PolarHBondContact OD2-N 2.66Å; D379-S467 PolarHBondContact OD2-OG 2.96Å |
| 380 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.5 | 179 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | V374 Q376 V412 A414 F437 S438 | V374-V380 HydrophobicContact CG1-CG1 4.47Å; V374-V380 HydrophobicContact CG2-CG1 4.43Å; Q376-V380 HydrophobicContact CG-CG2 4.35Å; V380-V412 CarbonylContact C-O 3.56Å; V380-V412 WeakPolarHBondContact CA-O 3.34Å; V380-V412 HydrophobicContact CG1-CB 4.43Å; V380-V412 HydrophobicContact CG2-CB 4.22Å; V380-A414 HydrophobicContact CG1-CB 4.11Å; V380-F437 CarbonylContact O-C 3.03Å; V380-S438 PolarHBondContact N-O 3.27Å; V380-S438 PolarHBondContact O-N 2.84Å |
| 381 | M | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.8 | 168.6 | -170.5 | 168.9 | 148.1 | 0 | 0 | 108.5 | Y399 V412 I413 A414 I435 Y436 F437 F458 L462 | M381-Y399 HydrophobicContact CE-CE2 3.66Å; M381-Y399 PolarHBondContact O-OH 2.72Å; M381-V412 PolarHBondContact N-O 2.61Å; M381-I413 HydrophobicContact CB-CD1 3.89Å; M381-A414 PolarHBondContact O-N 2.83Å; M381-I435 HydrophobicContact CE-CG2 3.51Å; M381-I435 HydrophobicContact CG-CG2 4.03Å; M381-Y436 CarbonylContact C-O 3.37Å; M381-Y436 WeakPolarHBondContact CA-O 3.17Å; M381-F437 HydrophobicContact CB-CD2 4.19Å; M381-F458 HydrophobicContact CE-CD1 3.08Å; M381-F458 HydrophobicContact CE-CE1 3.23Å; M381-F458 HydrophobicContact CE-CG 4.07Å; M381-F458 HydrophobicContact CE-CZ 4.33Å; M381-F458 HydrophobicContact SD-CD1 4.33Å; M381-L462 HydrophobicContact CB-CD2 4.06Å; M381-L462 HydrophobicContact CG-CD2 4.42Å; M381-L462 HydrophobicContact SD-CD1 4.21Å; M381-L462 HydrophobicContact SD-CD2 3.54Å; M381-L462 VanDerWaalsContact SD-CD2 3.54Å; M381-L462 HydrophobicContact SD-CG 3.93Å |
| 382 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | -173.1 | -174.8 | 160.2 | 0 | 0 | 0 | 111.5 | V365 F370 V374 F384 A414 M416 Y427 I435 Y436 | V365-I382 HydrophobicContact CB-CD1 4.19Å; V365-I382 HydrophobicContact CG1-CD1 4.26Å; V365-I382 HydrophobicContact CG2-CD1 4.2Å; F370-I382 HydrophobicContact CD2-CD1 4.23Å; F370-I382 HydrophobicContact CE2-CD1 3.61Å; F370-I382 HydrophobicContact CZ-CD1 4.35Å; V374-I382 HydrophobicContact CG2-CD1 3.77Å; I382-F384 HydrophobicContact CD1-CE1 4.23Å; I382-F384 HydrophobicContact CD1-CZ 4.16Å; I382-F384 HydrophobicContact CG1-CE1 4.5Å; I382-F384 HydrophobicContact CG1-CE2 4.44Å; I382-F384 HydrophobicContact CG1-CZ 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.84Å; I382-F384 HydrophobicContact CG2-CZ 4.09Å; I382-A414 CarbonylContact C-O 3.49Å; I382-A414 VanDerWaalsContact CA-O 3.3Å; I382-A414 WeakPolarHBondContact CA-O 3.36Å; I382-A414 HydrophobicContact CB-CB 4.24Å; I382-A414 HydrophobicContact CD1-CB 4.42Å; I382-A414 HydrophobicContact CG1-CB 4.22Å; I382-M416 HydrophobicContact CD1-CB 4.3Å; I382-Y427 HydrophobicContact CG2-CE1 4.04Å; I382-I435 WeakPolarHBondContact O-CA 3.48Å; I382-Y436 PolarHBondContact N-O 3.42Å; I382-Y436 PolarHBondContact O-N 2.96Å |
| 383 | E | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.8 | 169.6 | -176.7 | -168 | -176.2 | 0 | 0 | 110.1 | Y399 A414 K415 M416 P433 I435 | E383-Y399 HydrophobicContact CB-CD1 4.42Å; E383-Y399 HydrophobicContact CB-CE1 3.87Å; E383-Y399 HydrophobicContact CB-CE2 4.42Å; E383-Y399 PolarHBondContact N-OH 2.79Å; E383-A414 PolarHBondContact N-O 3Å; E383-K415 HydrophobicContact CB-CB 4.35Å; E383-K415 CarbonylContact O-C 3.57Å; E383-K415 VanDerWaalsContact O-CA 3.29Å; E383-K415 WeakPolarHBondContact O-CA 3.26Å; E383-M416 PolarHBondContact O-N 3.01Å; E383-P433 HydrophobicContact CG-CB 3.92Å; E383-P433 VanDerWaalsContact OE1-CB 3.28Å; E383-P433 WeakPolarHBondContact OE1-CB 3.34Å; E383-I435 HydrophobicContact CB-CG1 4.22Å; E383-I435 HydrophobicContact CG-CG1 4.09Å |
| 384 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.1 | 164 | -60 | -79.3 | 0 | 0 | 0 | 109.2 | F370 I382 M416 A418 V423 Y427 V429 P433 T434 Y436 | F370-F384 AromaticContact CE2-CE1 3.69Å; F370-F384 HydrophobicContact CE2-CE1 3.69Å; F370-F384 AromaticContact CE2-CZ 3.68Å; F370-F384 HydrophobicContact CE2-CZ 3.68Å; F370-F384 HydrophobicContact CZ-CE1 4.4Å; F370-F384 AromaticContact CZ-CZ 3.97Å; F370-F384 HydrophobicContact CZ-CZ 3.97Å; I382-F384 HydrophobicContact CD1-CE1 4.23Å; I382-F384 HydrophobicContact CD1-CZ 4.16Å; I382-F384 HydrophobicContact CG1-CE1 4.5Å; I382-F384 HydrophobicContact CG1-CE2 4.44Å; I382-F384 HydrophobicContact CG1-CZ 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.84Å; I382-F384 HydrophobicContact CG2-CZ 4.09Å; F384-M416 WeakPolarHBondContact CA-O 3.36Å; F384-M416 HydrophobicContact CD1-CB 4.19Å; F384-M416 HydrophobicContact CD1-CE 3.74Å; F384-M416 HydrophobicContact CE1-CB 4.43Å; F384-M416 HydrophobicContact CE1-CE 3.47Å; F384-M416 VanDerWaalsContact CE1-CE 3.47Å; F384-M416 HydrophobicContact CE1-SD 4.29Å; F384-A418 HydrophobicContact CB-CB 3.97Å; F384-A418 HydrophobicContact CD1-CB 4.11Å; F384-A418 HydrophobicContact CG-CB 4.5Å; F384-V423 HydrophobicContact CD1-CG1 4.24Å; F384-V423 HydrophobicContact CD1-CG2 3.93Å; F384-V423 HydrophobicContact CE1-CB 4.46Å; F384-V423 HydrophobicContact CE1-CG1 3.74Å; F384-V423 HydrophobicContact CE1-CG2 4.07Å; F384-V423 HydrophobicContact CZ-CG1 4Å; F384-Y427 AromaticContact CE2-CD1 3.54Å; F384-Y427 HydrophobicContact CE2-CD1 3.54Å; F384-Y427 HydrophobicContact CE2-CE1 4.31Å; F384-Y427 AromaticContact CE2-CG 3.97Å; F384-Y427 HydrophobicContact CE2-CG 3.97Å; F384-Y427 AromaticContact CZ-CD1 3.71Å; F384-Y427 HydrophobicContact CZ-CD1 3.71Å; F384-Y427 HydrophobicContact CZ-CD2 4.49Å; F384-Y427 HydrophobicContact CZ-CE1 4.39Å; F384-Y427 AromaticContact CZ-CG 3.76Å; F384-Y427 HydrophobicContact CZ-CG 3.76Å; F384-V429 HydrophobicContact CB-CG1 4.2Å; F384-V429 HydrophobicContact CB-CG2 3.57Å; F384-V429 HydrophobicContact CD1-CG2 4.12Å; F384-V429 HydrophobicContact CD2-CG2 3.82Å; F384-V429 HydrophobicContact CG-CG2 3.56Å; F384-P433 WeakPolarHBondContact O-CA 2.96Å; F384-T434 PolarHBondContact N-O 2.79Å; F384-T434 PolarHBondContact O-N 2.99Å; F384-Y436 HydrophobicContact CD2-CD2 4.13Å; F384-Y436 AromaticContact CE2-CD2 3.89Å; F384-Y436 HydrophobicContact CE2-CD2 3.89Å |
| 385 | Y | 98.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 50 Ų | 50 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 171.4 | -174.9 | 75.6 | -84.2 | 0 | 0 | 0 | 112 | P387 C392 K415 M416 D417 A418 F432 | Y385-P387 HydrophobicContact CE2-CG 4.38Å; Y385-C392 VanDerWaalsContact CB-SG 3.57Å; Y385-K415 HydrophobicContact CD1-CB 4.13Å; Y385-K415 HydrophobicContact CE1-CB 3.99Å; Y385-K415 HydrophobicContact CE1-CD 4.23Å; Y385-K415 HydrophobicContact CE1-CG 4.03Å; Y385-M416 VanDerWaalsContact CD1-C 3.42Å; Y385-M416 WeakPolarHBondContact CD1-O 3.42Å; Y385-M416 PolarHBondContact N-O 2.99Å; Y385-D417 HydrophobicContact CE1-CB 4.24Å; Y385-D417 VanDerWaalsContact CE1-N 3.33Å; Y385-D417 HydrophobicContact CE2-CB 4.25Å; Y385-A418 PolarHBondContact O-N 2.9Å; Y385-F432 VanDerWaalsContact C-CD1 3.43Å |
| 386 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -128.8 | 134.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | W388 C389 T419 F432 | A386-W388 HydrophobicContact CB-CD2 4.16Å; A386-W388 HydrophobicContact CB-CH2 4.42Å; A386-W388 HydrophobicContact CB-CZ2 3.86Å; A386-W388 PolarHBondContact O-N 3.31Å; A386-W388 VanDerWaalsContact O-N 3.13Å; A386-C389 HydrophobicContact CB-CB 4.16Å; A386-C389 WeakPolarHBondContact O-CB 3.47Å; A386-C389 PolarHBondContact O-N 2.78Å; A386-T419 HydrophobicContact CB-CG2 3.49Å; A386-T419 VanDerWaalsContact CB-CG2 3.49Å; A386-F432 HydrophobicContact CB-CB 4.24Å; A386-F432 HydrophobicContact CB-CD1 3.97Å; A386-F432 HydrophobicContact CB-CD2 3.57Å; A386-F432 HydrophobicContact CB-CE1 4.17Å; A386-F432 HydrophobicContact CB-CE2 3.81Å; A386-F432 HydrophobicContact CB-CG 3.65Å; A386-F432 HydrophobicContact CB-CZ 4.1Å | ||
| 387 | P | 95.8 | Very high | 97.3 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.5 | -175.2 | -26.8 | 34.2 | 0 | 0 | 0 | 114.4 | Y385 K393 D417 | Y385-P387 HydrophobicContact CE2-CG 4.38Å; P387-K393 WeakPolarHBondContact O-CE 3.34Å; P387-D417 VanDerWaalsContact CD-CG 3.49Å; P387-D417 WeakPolarHBondContact CD-OD1 3.47Å; P387-D417 WeakPolarHBondContact CD-OD2 3.4Å; P387-D417 WeakPolarHBondContact CG-OD2 3.24Å |
| 388 | W | 93.3 | Very high | 97.4 | Very high | 175 Ų | 175 | 46.6 Ų | 46.6 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.1 | 179.2 | 50.5 | -100.6 | 0 | 0 | 0 | 113.7 | A386 G390 T419 F432 | A386-W388 HydrophobicContact CB-CD2 4.16Å; A386-W388 HydrophobicContact CB-CH2 4.42Å; A386-W388 HydrophobicContact CB-CZ2 3.86Å; A386-W388 PolarHBondContact O-N 3.31Å; A386-W388 VanDerWaalsContact O-N 3.13Å; W388-G390 PolarHBondContact O-N 3.43Å; W388-T419 HydrophobicContact CZ2-CG2 4.47Å; W388-F432 HydrophobicContact CH2-CD2 4.02Å; W388-F432 HydrophobicContact CH2-CE2 4.24Å; W388-F432 HydrophobicContact CZ2-CD2 4.23Å; W388-F432 HydrophobicContact CZ2-CE2 4.09Å |
| 389 | C | 96.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | trans | -78.5 | 122.1 | -176.9 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | A386 H391 C392 K393 F432 | A386-C389 HydrophobicContact CB-CB 4.16Å; A386-C389 WeakPolarHBondContact O-CB 3.47Å; A386-C389 PolarHBondContact O-N 2.78Å; C389-H391 PolarHBondContact O-N 2.84Å; C389-C392 HydrophobicContact CB-CB 3.98Å; C389-C392 VanDerWaalsContact CB-SG 3.59Å; C389-C392 PolarHBondContact O-N 3.03Å; C389-K393 WeakPolarHBondContact O-CG 3.49Å; C389-K393 PolarHBondContact O-N 3.47Å; C389-K393 VanDerWaalsContact O-N 3.16Å; C389-F432 HydrophobicContact CB-CB 4.05Å; C389-F432 PolarHBondContact SG-O 3.07Å; C389-F432 VanDerWaalsContact SG-O 3.39Å | ||
| 390 | G | 96.7 | Very high | 97.5 | Very high | 43 Ų | 43 | 47 Ų | 47 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W388 C392 K393 N394 | W388-G390 PolarHBondContact O-N 3.43Å; G390-C392 PolarHBondContact O-N 3.28Å; G390-K393 PolarHBondContact O-N 3.05Å; G390-N394 PolarHBondContact O-N 2.82Å; G390-N394 VanDerWaalsContact O-N 3.12Å |
| 391 | H | 96.1 | Very high | 97.5 | Very high | 125 Ų | 125 | 51.1 Ų | 51.1 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.6 | -36.7 | 177 | -62.2 | 149.6 | 0 | 0 | 0 | 112.6 | C389 L395 | C389-H391 PolarHBondContact O-N 2.84Å; H391-L395 WeakPolarHBondContact O-CB 3.06Å; H391-L395 PolarHBondContact O-N 3.36Å; H391-L395 VanDerWaalsContact O-N 3.1Å |
| 392 | C | 97.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | Y385 C389 G390 N394 L395 A396 P433 | Y385-C392 VanDerWaalsContact CB-SG 3.57Å; C389-C392 HydrophobicContact CB-CB 3.98Å; C389-C392 VanDerWaalsContact CB-SG 3.59Å; C389-C392 PolarHBondContact O-N 3.03Å; G390-C392 PolarHBondContact O-N 3.28Å; C392-N394 VanDerWaalsContact C-N 3.3Å; C392-N394 PolarHBondContact O-N 2.83Å; C392-L395 PolarHBondContact O-N 3.1Å; C392-L395 VanDerWaalsContact O-N 3.12Å; C392-A396 PolarHBondContact O-N 3.14Å; C392-P433 VanDerWaalsContact SG-CD 3.56Å |
| 393 | K | 97.7 | Very high | 97.5 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.3 | -40.5 | 177.5 | -69.2 | 176.8 | -176.3 | 179.3 | 0 | 112.4 | P387 C389 G390 P397 | P387-K393 WeakPolarHBondContact O-CE 3.34Å; C389-K393 WeakPolarHBondContact O-CG 3.49Å; C389-K393 PolarHBondContact O-N 3.47Å; C389-K393 VanDerWaalsContact O-N 3.16Å; G390-K393 PolarHBondContact O-N 3.05Å; K393-P397 WeakPolarHBondContact O-CD 3.48Å |
| 394 | N | 97.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.8 | -31.6 | 176.8 | -69.4 | -12.4 | 0 | 0 | 0 | 112.7 | G390 C392 | G390-N394 PolarHBondContact O-N 2.82Å; G390-N394 VanDerWaalsContact O-N 3.12Å; C392-N394 VanDerWaalsContact C-N 3.3Å; C392-N394 PolarHBondContact O-N 2.83Å |
| 395 | L | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.2 | -32.8 | 179.5 | -178.1 | 60.1 | 0 | 0 | 0 | 112.8 | H391 C392 I398 Y399 P433 I435 R453 F458 | H391-L395 WeakPolarHBondContact O-CB 3.06Å; H391-L395 PolarHBondContact O-N 3.36Å; H391-L395 VanDerWaalsContact O-N 3.1Å; C392-L395 PolarHBondContact O-N 3.1Å; C392-L395 VanDerWaalsContact O-N 3.12Å; L395-I398 HydrophobicContact CD1-CB 4.29Å; L395-I398 HydrophobicContact CD1-CG2 4.35Å; L395-I398 WeakPolarHBondContact O-CB 3.48Å; L395-I398 PolarHBondContact O-N 3.27Å; L395-Y399 PolarHBondContact O-N 2.99Å; L395-P433 HydrophobicContact CD2-CB 4.12Å; L395-P433 HydrophobicContact CD2-CG 3.71Å; L395-I435 HydrophobicContact CD2-CD1 3.81Å; L395-R453 HydrophobicContact CD1-CB 4.15Å; L395-F458 HydrophobicContact CD1-CE2 3.71Å; L395-F458 HydrophobicContact CD1-CZ 3.86Å |
| 396 | A | 97.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 56 Ų | 56 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -46 | -52.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | C392 I398 Y399 E400 | C392-A396 PolarHBondContact O-N 3.14Å; A396-I398 VanDerWaalsContact C-N 3.33Å; A396-I398 PolarHBondContact O-N 2.87Å; A396-Y399 PolarHBondContact O-N 3.11Å; A396-E400 WeakPolarHBondContact O-CG 3.39Å; A396-E400 PolarHBondContact O-N 3.19Å |
| 397 | P | 98 | Very high | 97.2 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 179.7 | 25 | -34.6 | 0 | 0 | 0 | 113.2 | K393 E400 E401 | K393-P397 WeakPolarHBondContact O-CD 3.48Å; P397-E400 PolarHBondContact O-N 2.84Å; P397-E401 PolarHBondContact O-N 3.47Å |
| 398 | I | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 176.9 | -63 | 170.8 | 0 | 0 | 0 | 109.6 | L395 A396 E400 E401 V402 R453 V455 F458 | L395-I398 HydrophobicContact CD1-CB 4.29Å; L395-I398 HydrophobicContact CD1-CG2 4.35Å; L395-I398 WeakPolarHBondContact O-CB 3.48Å; L395-I398 PolarHBondContact O-N 3.27Å; A396-I398 VanDerWaalsContact C-N 3.33Å; A396-I398 PolarHBondContact O-N 2.87Å; I398-E400 VanDerWaalsContact C-N 3.35Å; I398-E401 PolarHBondContact O-N 3.12Å; I398-V402 WeakPolarHBondContact O-CG2 3.43Å; I398-V402 PolarHBondContact O-N 2.86Å; I398-R453 WeakPolarHBondContact CD1-O 3.47Å; I398-V455 HydrophobicContact CG2-CG2 3.87Å; I398-F458 HydrophobicContact CG2-CD2 4.21Å; I398-F458 HydrophobicContact CG2-CE2 4.07Å |
| 399 | Y | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -34.4 | -179.5 | -153.8 | -109.8 | 0 | 0 | 0 | 112.3 | V362 M381 E383 L395 A396 V402 G403 I413 A414 F458 | V362-Y399 HydrophobicContact CG1-CD1 3.92Å; V362-Y399 HydrophobicContact CG1-CE1 3.86Å; V362-Y399 HydrophobicContact CG2-CD1 3.93Å; V362-Y399 HydrophobicContact CG2-CE1 4.49Å; M381-Y399 HydrophobicContact CE-CE2 3.66Å; M381-Y399 PolarHBondContact O-OH 2.72Å; E383-Y399 HydrophobicContact CB-CD1 4.42Å; E383-Y399 HydrophobicContact CB-CE1 3.87Å; E383-Y399 HydrophobicContact CB-CE2 4.42Å; E383-Y399 PolarHBondContact N-OH 2.79Å; L395-Y399 PolarHBondContact O-N 2.99Å; A396-Y399 PolarHBondContact O-N 3.11Å; Y399-V402 PolarHBondContact O-N 3.5Å; Y399-G403 PolarHBondContact O-N 3.36Å; Y399-I413 HydrophobicContact CD1-CG2 3.88Å; Y399-I413 HydrophobicContact CE1-CG2 3.37Å; Y399-I413 HydrophobicContact CE2-CG2 4.25Å; Y399-I413 HydrophobicContact CG-CG2 4.5Å; Y399-A414 VanDerWaalsContact CE1-O 3.27Å; Y399-A414 WeakPolarHBondContact CE1-O 3.46Å; Y399-A414 PolarHBondContact OH-O 3.18Å; Y399-F458 HydrophobicContact CD2-CE2 4.35Å; Y399-F458 HydrophobicContact CD2-CZ 4.25Å |
| 400 | E | 98.3 | Very high | 97 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 171 | -74.1 | 179.4 | 178.6 | 0 | 0 | 113.1 | P361 V362 A396 P397 I398 G403 T404 K415 | P361-E400 HydrophobicContact CG-CB 4.16Å; P361-E400 HydrophobicContact CG-CG 4.25Å; V362-E400 HydrophobicContact CG2-CB 4.5Å; V362-E400 HydrophobicContact CG2-CG 4.02Å; A396-E400 WeakPolarHBondContact O-CG 3.39Å; A396-E400 PolarHBondContact O-N 3.19Å; P397-E400 PolarHBondContact O-N 2.84Å; I398-E400 VanDerWaalsContact C-N 3.35Å; E400-G403 PolarHBondContact O-N 3.06Å; E400-T404 WeakPolarHBondContact O-CB 3.33Å; E400-T404 PolarHBondContact O-N 3.47Å; E400-T404 PolarHBondContact O-OG1 3.4Å; E400-K415 IonicContact OE1-NZ 2.79Å |
| 401 | E | 98.4 | Very high | 97 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 172.1 | -171.2 | -177.8 | 153.7 | 0 | 0 | 111.2 | P397 I398 G403 T404 K405 V455 | P397-E401 PolarHBondContact O-N 3.47Å; I398-E401 PolarHBondContact O-N 3.12Å; E401-G403 PolarHBondContact O-N 3.27Å; E401-T404 WeakPolarHBondContact O-CB 3.45Å; E401-T404 PolarHBondContact O-N 3.02Å; E401-K405 PolarHBondContact O-N 3.26Å; E401-K405 WeakPolarHBondContact OE1-CE 3.42Å; E401-K405 IonicContact OE1-NZ 2.83Å; E401-K405 PolarHBondContact OE1-NZ 3.21Å; E401-V455 HydrophobicContact CB-CG2 4.16Å; E401-V455 HydrophobicContact CG-CG1 4.48Å; E401-V455 HydrophobicContact CG-CG2 4.19Å |
| 402 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | I398 Y399 T404 K405 M406 I413 V455 F458 L462 | I398-V402 WeakPolarHBondContact O-CG2 3.43Å; I398-V402 PolarHBondContact O-N 2.86Å; Y399-V402 PolarHBondContact O-N 3.5Å; V402-T404 VanDerWaalsContact C-N 3.27Å; V402-T404 PolarHBondContact O-N 2.97Å; V402-K405 PolarHBondContact O-N 2.85Å; V402-K405 VanDerWaalsContact O-N 3.15Å; V402-M406 HydrophobicContact CG1-CG 4.24Å; V402-M406 VanDerWaalsContact O-CG 3.31Å; V402-M406 WeakPolarHBondContact O-CG 3.39Å; V402-M406 PolarHBondContact O-N 3.36Å; V402-I413 HydrophobicContact CG1-CD1 4.24Å; V402-I413 HydrophobicContact CG1-CG1 4.34Å; V402-V455 HydrophobicContact CG2-CB 4.5Å; V402-V455 HydrophobicContact CG2-CG1 4.25Å; V402-F458 HydrophobicContact CG1-CB 4.14Å; V402-F458 HydrophobicContact CG2-CB 3.71Å; V402-F458 HydrophobicContact CG2-CD2 3.79Å; V402-F458 HydrophobicContact CG2-CG 4.09Å; V402-L462 HydrophobicContact CG1-CD1 3.96Å |
| 403 | G | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.8 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P361 Y399 E400 E401 M406 K407 | P361-G403 CarbonylContact O-C 3.56Å; P361-G403 WeakPolarHBondContact O-CA 3.12Å; Y399-G403 PolarHBondContact O-N 3.36Å; E400-G403 PolarHBondContact O-N 3.06Å; E401-G403 PolarHBondContact O-N 3.27Å; G403-M406 PolarHBondContact O-N 3.26Å; G403-K407 PolarHBondContact O-N 2.82Å |
| 404 | T | 98 | Very high | 97.2 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65 | -44 | 176 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | P361 E400 E401 V402 M406 K407 | P361-T404 VanDerWaalsContact CB-OG1 3.3Å; P361-T404 WeakPolarHBondContact CB-OG1 3.46Å; E400-T404 WeakPolarHBondContact O-CB 3.33Å; E400-T404 PolarHBondContact O-N 3.47Å; E400-T404 PolarHBondContact O-OG1 3.4Å; E401-T404 WeakPolarHBondContact O-CB 3.45Å; E401-T404 PolarHBondContact O-N 3.02Å; V402-T404 VanDerWaalsContact C-N 3.27Å; V402-T404 PolarHBondContact O-N 2.97Å; T404-M406 VanDerWaalsContact C-N 3.35Å; T404-K407 WeakPolarHBondContact O-CB 3.45Å; T404-K407 WeakPolarHBondContact O-CG 3.16Å; T404-K407 PolarHBondContact O-N 3.21Å |
| 405 | K | 97.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 39.7 Ų | 39.7 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 178.3 | -71.4 | -177.8 | -177.5 | -179.7 | 0 | 111.9 | E401 V402 K407 V455 I459 W473 | E401-K405 PolarHBondContact O-N 3.26Å; E401-K405 WeakPolarHBondContact OE1-CE 3.42Å; E401-K405 IonicContact OE1-NZ 2.83Å; E401-K405 PolarHBondContact OE1-NZ 3.21Å; V402-K405 PolarHBondContact O-N 2.85Å; V402-K405 VanDerWaalsContact O-N 3.15Å; K405-K407 PolarHBondContact O-N 3.04Å; K405-V455 HydrophobicContact CD-CG1 4.03Å; K405-I459 HydrophobicContact CD-CD1 3.69Å; K405-W473 HydrophobicContact CB-CH2 4.02Å; K405-W473 HydrophobicContact CB-CZ2 4.01Å; K405-W473 WeakPolarHBondContact O-CH2 3.27Å; K405-W473 WeakPolarHBondContact O-CZ3 3.48Å |
| 406 | M | 96.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1.8 | 179.1 | -62.6 | -61.5 | 98.8 | 0 | 0 | 114 | V402 G403 T404 G408 E409 I413 I459 L462 L470 W473 | V402-M406 HydrophobicContact CG1-CG 4.24Å; V402-M406 VanDerWaalsContact O-CG 3.31Å; V402-M406 WeakPolarHBondContact O-CG 3.39Å; V402-M406 PolarHBondContact O-N 3.36Å; G403-M406 PolarHBondContact O-N 3.26Å; T404-M406 VanDerWaalsContact C-N 3.35Å; M406-G408 PolarHBondContact O-N 3.49Å; M406-E409 WeakPolarHBondContact O-CB 3.46Å; M406-E409 PolarHBondContact O-N 2.89Å; M406-E409 VanDerWaalsContact O-N 3.08Å; M406-E409 HydrophobicContact SD-CG 4.24Å; M406-I413 HydrophobicContact CB-CD1 4.44Å; M406-I413 HydrophobicContact CB-CG1 3.9Å; M406-I413 HydrophobicContact CG-CD1 4.07Å; M406-I413 HydrophobicContact CG-CG1 3.95Å; M406-I459 HydrophobicContact CE-CG1 4.26Å; M406-L462 HydrophobicContact CG-CD1 3.92Å; M406-L462 HydrophobicContact SD-CD1 3.85Å; M406-L470 HydrophobicContact SD-CD1 4.13Å; M406-W473 HydrophobicContact CE-CD2 4.03Å; M406-W473 HydrophobicContact CE-CE3 3.64Å; M406-W473 HydrophobicContact CE-CH2 3.53Å; M406-W473 HydrophobicContact CE-CZ2 3.84Å; M406-W473 HydrophobicContact CE-CZ3 3.38Å |
| 407 | K | 94.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 38.3 Ų | 38.3 | 58% | 0.578 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 124.7 | 173.7 | -74.6 | -176.6 | 175.8 | -177 | 0 | 110.9 | G403 T404 K405 E409 | G403-K407 PolarHBondContact O-N 2.82Å; T404-K407 WeakPolarHBondContact O-CB 3.45Å; T404-K407 WeakPolarHBondContact O-CG 3.16Å; T404-K407 PolarHBondContact O-N 3.21Å; K405-K407 PolarHBondContact O-N 3.04Å; K407-E409 VanDerWaalsContact C-N 3.33Å |
| 408 | G | 92.2 | Very high | 97.2 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -9.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M406 K471 | M406-G408 PolarHBondContact O-N 3.49Å; G408-K471 PolarHBondContact O-NZ 2.9Å |
| 409 | E | 95.6 | Very high | 97 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -77 | 160.7 | 168.4 | -61.4 | -60.2 | 168.6 | 0 | 0 | 111.7 | M406 K407 I411 L470 K471 G472 W473 | M406-E409 WeakPolarHBondContact O-CB 3.46Å; M406-E409 PolarHBondContact O-N 2.89Å; M406-E409 VanDerWaalsContact O-N 3.08Å; M406-E409 HydrophobicContact SD-CG 4.24Å; K407-E409 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 3.36Å; E409-L470 HydrophobicContact CB-CD2 4.27Å; E409-L470 HydrophobicContact CG-CD2 4.31Å; E409-L470 VanDerWaalsContact OE2-CA 3.32Å; E409-L470 WeakPolarHBondContact OE2-CA 3.39Å; E409-K471 VanDerWaalsContact CD-N 3.3Å; E409-K471 PolarHBondContact OE1-N 2.91Å; E409-K471 PolarHBondContact OE2-N 3.09Å; E409-G472 PolarHBondContact OE1-N 2.77Å; E409-W473 HydrophobicContact CG-CE3 4.34Å; E409-W473 HydrophobicContact CG-CZ3 3.92Å; E409-W473 VanDerWaalsContact OE1-CZ3 3.29Å; E409-W473 WeakPolarHBondContact OE1-CZ3 3.46Å |
| 410 | N | 95.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -81.8 | 40.6 | 174.3 | -159.7 | 37.9 | 0 | 0 | 0 | 112.5 | K378 D379 | K378-N410 WeakPolarHBondContact CG-OD1 3.46Å; D379-N410 PolarHBondContact N-O 3.32Å |
| 411 | I | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.7 | -177.9 | -53.5 | -157.8 | 0 | 0 | 0 | 109 | D379 E409 I413 L462 A466 L470 | D379-I411 HydrophobicContact CB-CB 4.5Å; D379-I411 HydrophobicContact CB-CD1 4.3Å; D379-I411 HydrophobicContact CB-CG1 4.02Å; D379-I411 HydrophobicContact CB-CG2 4.4Å; D379-I411 CarbonylContact O-C 3.57Å; D379-I411 VanDerWaalsContact O-CA 3.29Å; D379-I411 WeakPolarHBondContact O-CA 3.44Å; E409-I411 PolarHBondContact O-N 3.36Å; I411-I413 HydrophobicContact CG2-CD1 3.88Å; I411-L462 HydrophobicContact CD1-CB 4.32Å; I411-L462 HydrophobicContact CD1-CD2 4.08Å; I411-L462 HydrophobicContact CG2-CD2 4.17Å; I411-A466 HydrophobicContact CD1-CB 3.93Å; I411-L470 HydrophobicContact CD1-CD2 3.59Å; I411-L470 HydrophobicContact CG1-CD2 3.94Å |
| 412 | V | 97.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.8 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | T363 Q376 K378 D379 V380 M381 A414 | T363-V412 HydrophobicContact CG2-CG1 4.44Å; T363-V412 WeakPolarHBondContact OG1-CG1 3.44Å; Q376-V412 VanDerWaalsContact NE2-CG2 3.33Å; K378-V412 HydrophobicContact CB-CG2 4.4Å; K378-V412 HydrophobicContact CD-CG2 3.8Å; D379-V412 PolarHBondContact O-N 2.97Å; V380-V412 CarbonylContact C-O 3.56Å; V380-V412 WeakPolarHBondContact CA-O 3.34Å; V380-V412 HydrophobicContact CG1-CB 4.43Å; V380-V412 HydrophobicContact CG2-CB 4.22Å; M381-V412 PolarHBondContact N-O 2.61Å; V412-A414 HydrophobicContact CG1-CB 4.41Å |
| 413 | I | 98.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.3 | 170.9 | -54.7 | -54.8 | 0 | 0 | 0 | 106.9 | V362 T363 M381 Y399 V402 M406 I411 L462 | V362-I413 CarbonylContact C-O 3.58Å; V362-I413 WeakPolarHBondContact CA-O 3.36Å; V362-I413 HydrophobicContact CG1-CG2 4.29Å; V362-I413 HydrophobicContact CG2-CG2 4.09Å; T363-I413 PolarHBondContact N-O 3.04Å; M381-I413 HydrophobicContact CB-CD1 3.89Å; Y399-I413 HydrophobicContact CD1-CG2 3.88Å; Y399-I413 HydrophobicContact CE1-CG2 3.37Å; Y399-I413 HydrophobicContact CE2-CG2 4.25Å; Y399-I413 HydrophobicContact CG-CG2 4.5Å; V402-I413 HydrophobicContact CG1-CD1 4.24Å; V402-I413 HydrophobicContact CG1-CG1 4.34Å; M406-I413 HydrophobicContact CB-CD1 4.44Å; M406-I413 HydrophobicContact CB-CG1 3.9Å; M406-I413 HydrophobicContact CG-CD1 4.07Å; M406-I413 HydrophobicContact CG-CG1 3.95Å; I411-I413 HydrophobicContact CG2-CD1 3.88Å; I413-L462 HydrophobicContact CD1-CD1 3.86Å |
| 414 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T363 V365 V380 M381 I382 E383 Y399 V412 | T363-A414 CarbonylContact O-C 3.44Å; T363-A414 WeakPolarHBondContact O-CA 3.44Å; V365-A414 HydrophobicContact CG2-CB 3.79Å; V380-A414 HydrophobicContact CG1-CB 4.11Å; M381-A414 PolarHBondContact O-N 2.83Å; I382-A414 CarbonylContact C-O 3.49Å; I382-A414 VanDerWaalsContact CA-O 3.3Å; I382-A414 WeakPolarHBondContact CA-O 3.36Å; I382-A414 HydrophobicContact CB-CB 4.24Å; I382-A414 HydrophobicContact CD1-CB 4.42Å; I382-A414 HydrophobicContact CG1-CB 4.22Å; E383-A414 PolarHBondContact N-O 3Å; Y399-A414 VanDerWaalsContact CE1-O 3.27Å; Y399-A414 WeakPolarHBondContact CE1-O 3.46Å; Y399-A414 PolarHBondContact OH-O 3.18Å; V412-A414 HydrophobicContact CG1-CB 4.41Å |
| 415 | K | 98.6 | Very high | 95.3 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.6 | 173.2 | 68.3 | -175.1 | 176.5 | -175.5 | 0 | 111.4 | V362 T363 V365 E383 Y385 E400 | V362-K415 HydrophobicContact CB-CD 4.44Å; V362-K415 HydrophobicContact CG1-CB 3.84Å; V362-K415 HydrophobicContact CG1-CD 3.86Å; V362-K415 HydrophobicContact CG1-CG 3.69Å; T363-K415 PolarHBondContact O-N 2.87Å; V365-K415 PolarHBondContact N-O 3.23Å; E383-K415 HydrophobicContact CB-CB 4.35Å; E383-K415 CarbonylContact O-C 3.57Å; E383-K415 VanDerWaalsContact O-CA 3.29Å; E383-K415 WeakPolarHBondContact O-CA 3.26Å; Y385-K415 HydrophobicContact CD1-CB 4.13Å; Y385-K415 HydrophobicContact CE1-CB 3.99Å; Y385-K415 HydrophobicContact CE1-CD 4.23Å; Y385-K415 HydrophobicContact CE1-CG 4.03Å; E400-K415 IonicContact OE1-NZ 2.79Å |
| 416 | M | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.8 | 176.6 | -177.3 | 166.7 | 102.4 | 0 | 0 | 110.9 | V365 F370 I382 E383 F384 Y385 A418 N421 E422 V423 | V365-M416 HydrophobicContact CB-CB 4.23Å; V365-M416 HydrophobicContact CG1-SD 4.09Å; V365-M416 WeakPolarHBondContact O-CA 3.1Å; V365-M416 WeakPolarHBondContact O-CB 3.28Å; V365-M416 VanDerWaalsContact O-CG 3.26Å; V365-M416 WeakPolarHBondContact O-CG 3.36Å; F370-M416 HydrophobicContact CD2-CE 4.19Å; F370-M416 HydrophobicContact CD2-SD 3.62Å; F370-M416 HydrophobicContact CE2-CE 4.35Å; F370-M416 HydrophobicContact CE2-SD 4.16Å; I382-M416 HydrophobicContact CD1-CB 4.3Å; E383-M416 PolarHBondContact O-N 3.01Å; F384-M416 WeakPolarHBondContact CA-O 3.36Å; F384-M416 HydrophobicContact CD1-CB 4.19Å; F384-M416 HydrophobicContact CD1-CE 3.74Å; F384-M416 HydrophobicContact CE1-CB 4.43Å; F384-M416 HydrophobicContact CE1-CE 3.47Å; F384-M416 VanDerWaalsContact CE1-CE 3.47Å; F384-M416 HydrophobicContact CE1-SD 4.29Å; Y385-M416 VanDerWaalsContact CD1-C 3.42Å; Y385-M416 WeakPolarHBondContact CD1-O 3.42Å; Y385-M416 PolarHBondContact N-O 2.99Å; M416-A418 PolarHBondContact O-N 3.36Å; M416-A418 VanDerWaalsContact O-N 3.14Å; M416-N421 HydrophobicContact CE-CB 3.97Å; M416-N421 HydrophobicContact CG-CB 3.91Å; M416-N421 HydrophobicContact SD-CB 3.85Å; M416-E422 WeakPolarHBondContact CE-O 3.2Å; M416-V423 HydrophobicContact CE-CB 4.15Å; M416-V423 HydrophobicContact CE-CG2 3.51Å |
| 417 | D | 97.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 102.5 | 168 | -178.9 | -10.4 | 0 | 0 | 0 | 108.5 | Y385 P387 T419 A420 N421 | Y385-D417 HydrophobicContact CE1-CB 4.24Å; Y385-D417 VanDerWaalsContact CE1-N 3.33Å; Y385-D417 HydrophobicContact CE2-CB 4.25Å; P387-D417 VanDerWaalsContact CD-CG 3.49Å; P387-D417 WeakPolarHBondContact CD-OD1 3.47Å; P387-D417 WeakPolarHBondContact CD-OD2 3.4Å; P387-D417 WeakPolarHBondContact CG-OD2 3.24Å; D417-T419 PolarHBondContact O-N 3.43Å; D417-T419 WeakPolarHBondContact OD1-CA 3.26Å; D417-T419 VanDerWaalsContact OD1-CB 3.29Å; D417-T419 WeakPolarHBondContact OD1-CB 3.46Å; D417-T419 PolarHBondContact OD1-N 2.9Å; D417-T419 PolarHBondContact OD1-OG1 3.41Å; D417-T419 PolarHBondContact OD2-OG1 3.45Å; D417-A420 HydrophobicContact CB-CB 4.19Å; D417-A420 PolarHBondContact O-N 3.04Å; D417-A420 PolarHBondContact OD1-N 3.05Å; D417-N421 WeakPolarHBondContact O-CB 3.08Å; D417-N421 PolarHBondContact O-N 3Å; D417-N421 PolarHBondContact O-ND2 2.81Å |
| 418 | A | 96.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F384 Y385 M416 V423 V429 F432 | F384-A418 HydrophobicContact CB-CB 3.97Å; F384-A418 HydrophobicContact CD1-CB 4.11Å; F384-A418 HydrophobicContact CG-CB 4.5Å; Y385-A418 PolarHBondContact O-N 2.9Å; M416-A418 PolarHBondContact O-N 3.36Å; M416-A418 VanDerWaalsContact O-N 3.14Å; A418-V423 HydrophobicContact CB-CG2 3.53Å; A418-V429 HydrophobicContact CB-CG1 4.4Å; A418-F432 HydrophobicContact CB-CE1 3.76Å; A418-F432 HydrophobicContact CB-CZ 4.42Å |
| 419 | T | 92.9 | Very high | 95.3 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -29 | 169.2 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | K350 A386 W388 D417 F432 | K350-T419 PolarHBondContact NZ-O 3.21Å; A386-T419 HydrophobicContact CB-CG2 3.49Å; A386-T419 VanDerWaalsContact CB-CG2 3.49Å; W388-T419 HydrophobicContact CZ2-CG2 4.47Å; D417-T419 PolarHBondContact O-N 3.43Å; D417-T419 WeakPolarHBondContact OD1-CA 3.26Å; D417-T419 VanDerWaalsContact OD1-CB 3.29Å; D417-T419 WeakPolarHBondContact OD1-CB 3.46Å; D417-T419 PolarHBondContact OD1-N 2.9Å; D417-T419 PolarHBondContact OD1-OG1 3.41Å; D417-T419 PolarHBondContact OD2-OG1 3.45Å; T419-F432 HydrophobicContact CG2-CE2 4.18Å; T419-F432 HydrophobicContact CG2-CZ 3.86Å |
| 420 | A | 92.2 | Very high | 95.2 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -20.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K350 E352 D417 | K350-A420 WeakPolarHBondContact CE-O 3.29Å; E352-A420 HydrophobicContact CG-CB 3.53Å; D417-A420 HydrophobicContact CB-CB 4.19Å; D417-A420 PolarHBondContact O-N 3.04Å; D417-A420 PolarHBondContact OD1-N 3.05Å |
| 421 | N | 94.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -119.9 | 148.2 | -178.1 | -57.6 | -84.4 | 0 | 0 | 0 | 111.9 | K350 S351 E352 V366 G367 M416 D417 | K350-N421 CarbonylContact O-C 3.18Å; K350-N421 WeakPolarHBondContact O-CA 3.38Å; S351-N421 VanDerWaalsContact CA-OD1 3.31Å; S351-N421 WeakPolarHBondContact CA-OD1 3.27Å; E352-N421 PolarHBondContact N-OD1 3.16Å; E352-N421 PolarHBondContact OE2-ND2 3.12Å; V366-N421 VanDerWaalsContact CA-OD1 3.29Å; V366-N421 WeakPolarHBondContact CA-OD1 3.14Å; V366-N421 VanDerWaalsContact CB-OD1 3.32Å; V366-N421 WeakPolarHBondContact CB-OD1 3.5Å; G367-N421 PolarHBondContact N-OD1 3.01Å; M416-N421 HydrophobicContact CE-CB 3.97Å; M416-N421 HydrophobicContact CG-CB 3.91Å; M416-N421 HydrophobicContact SD-CB 3.85Å; D417-N421 WeakPolarHBondContact O-CB 3.08Å; D417-N421 PolarHBondContact O-N 3Å; D417-N421 PolarHBondContact O-ND2 2.81Å |
| 422 | E | 91.1 | Very high | 95.2 | Very high | 98 Ų | 98 | 41.7 Ų | 41.7 | 46% | 0.458 | 24% | 0.244 | S | C | . | . | trans | -69.2 | 130.3 | 168.9 | -166 | 168.7 | 141 | 0 | 0 | 110 | V349 K350 M416 P424 | V349-E422 HydrophobicContact CG1-CB 3.92Å; K350-E422 HydrophobicContact CB-CB 4.1Å; K350-E422 PolarHBondContact O-N 3.21Å; M416-E422 WeakPolarHBondContact CE-O 3.2Å; E422-P424 WeakPolarHBondContact O-CD 3.48Å | ||
| 423 | V | 94 | Very high | 95.2 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 22% | 0.218 | 24% | 0.24 | C | C | . | . | trans | -93.5 | 113.7 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | F384 M416 A418 V429 | F384-V423 HydrophobicContact CD1-CG1 4.24Å; F384-V423 HydrophobicContact CD1-CG2 3.93Å; F384-V423 HydrophobicContact CE1-CB 4.46Å; F384-V423 HydrophobicContact CE1-CG1 3.74Å; F384-V423 HydrophobicContact CE1-CG2 4.07Å; F384-V423 HydrophobicContact CZ-CG1 4Å; M416-V423 HydrophobicContact CE-CB 4.15Å; M416-V423 HydrophobicContact CE-CG2 3.51Å; A418-V423 HydrophobicContact CB-CG2 3.53Å; V423-V429 HydrophobicContact CG1-CG2 4.11Å; V423-V429 HydrophobicContact CG2-CG2 4.15Å | ||
| 424 | P | 91.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 16% | 0.156 | 24% | 0.241 | C | C | . | . | trans | -74.5 | 151.6 | -178.4 | 28.3 | -32.3 | 0 | 0 | 0 | 111.6 | F370 E422 Y427 | F370-P424 HydrophobicContact CB-CG 4.45Å; F370-P424 HydrophobicContact CD1-CG 3.22Å; F370-P424 HydrophobicContact CD2-CG 4.12Å; F370-P424 HydrophobicContact CE1-CG 3.3Å; F370-P424 HydrophobicContact CE2-CG 4.18Å; F370-P424 HydrophobicContact CG-CG 3.66Å; F370-P424 HydrophobicContact CZ-CG 3.79Å; E422-P424 WeakPolarHBondContact O-CD 3.48Å; P424-Y427 WeakPolarHBondContact O-CB 3.38Å; P424-Y427 WeakPolarHBondContact O-CD2 3.35Å; P424-Y427 PolarHBondContact O-N 2.94Å | ||
| 425 | P | 90.5 | Very high | 95.2 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 75% | 0.753 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 148.8 | 164.6 | -22.5 | 33.8 | 0 | 0 | 0 | 111.1 | ||
| 426 | P | 93.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | 12.6 | 6.1 | 38 | -39.8 | 0 | 0 | 0 | 114.3 | P446 | P426-P446 HydrophobicContact CG-CG 3.66Š|
| 427 | Y | 96.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | trans | -72.7 | 136.8 | -179 | -57.2 | -92 | 0 | 0 | 0 | 110.4 | F370 V374 I382 F384 P424 Y436 S438 P446 | F370-Y427 AromaticContact CE1-CD2 3.96Å; F370-Y427 HydrophobicContact CE1-CD2 3.96Å; F370-Y427 AromaticContact CE1-CE2 3.56Å; F370-Y427 HydrophobicContact CE1-CE2 3.56Å; F370-Y427 AromaticContact CZ-CD2 3.58Å; F370-Y427 HydrophobicContact CZ-CD2 3.58Å; F370-Y427 HydrophobicContact CZ-CE1 4.45Å; F370-Y427 AromaticContact CZ-CE2 3.42Å; F370-Y427 HydrophobicContact CZ-CE2 3.42Å; F370-Y427 VanDerWaalsContact CZ-CE2 3.42Å; F370-Y427 HydrophobicContact CZ-CG 4.22Å; F370-Y427 AromaticContact CZ-CZ 3.88Å; V374-Y427 HydrophobicContact CG1-CE2 4.47Å; V374-Y427 WeakPolarHBondContact CG1-OH 3.19Å; I382-Y427 HydrophobicContact CG2-CE1 4.04Å; F384-Y427 AromaticContact CE2-CD1 3.54Å; F384-Y427 HydrophobicContact CE2-CD1 3.54Å; F384-Y427 HydrophobicContact CE2-CE1 4.31Å; F384-Y427 AromaticContact CE2-CG 3.97Å; F384-Y427 HydrophobicContact CE2-CG 3.97Å; F384-Y427 AromaticContact CZ-CD1 3.71Å; F384-Y427 HydrophobicContact CZ-CD1 3.71Å; F384-Y427 HydrophobicContact CZ-CD2 4.49Å; F384-Y427 HydrophobicContact CZ-CE1 4.39Å; F384-Y427 AromaticContact CZ-CG 3.76Å; F384-Y427 HydrophobicContact CZ-CG 3.76Å; P424-Y427 WeakPolarHBondContact O-CB 3.38Å; P424-Y427 WeakPolarHBondContact O-CD2 3.35Å; P424-Y427 PolarHBondContact O-N 2.94Å; Y427-Y436 HydrophobicContact CD1-CD1 4.04Å; Y427-Y436 AromaticContact CD1-CD2 3.8Å; Y427-Y436 HydrophobicContact CD1-CD2 3.8Å; Y427-Y436 HydrophobicContact CD1-CE2 4.39Å; Y427-Y436 AromaticContact CD1-CG 3.59Å; Y427-Y436 HydrophobicContact CD1-CG 3.59Å; Y427-Y436 HydrophobicContact CE1-CD1 4.39Å; Y427-Y436 HydrophobicContact CE1-CG 4Å; Y427-S438 WeakPolarHBondContact OH-CB 3.45Å; Y427-S438 PolarHBondContact OH-OG 2.95Å; Y427-P446 HydrophobicContact CD1-CB 4.3Å; Y427-P446 HydrophobicContact CD1-CG 3.95Å; Y427-P446 HydrophobicContact CE1-CB 3.56Å; Y427-P446 HydrophobicContact CE1-CG 3.57Å; Y427-P446 HydrophobicContact CE2-CG 4.22Å; Y427-P446 HydrophobicContact CG-CG 4.45Å | ||
| 428 | S | 95 | Very high | 95.3 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | trans | -130 | 123 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | Y436 | S428-Y436 PolarHBondContact N-OH 2.88Å; S428-Y436 PolarHBondContact O-OH 3.33Å | ||
| 429 | V | 95.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -115.5 | 95.1 | -175.3 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | F384 A418 V423 F432 T434 | F384-V429 HydrophobicContact CB-CG1 4.2Å; F384-V429 HydrophobicContact CB-CG2 3.57Å; F384-V429 HydrophobicContact CD1-CG2 4.12Å; F384-V429 HydrophobicContact CD2-CG2 3.82Å; F384-V429 HydrophobicContact CG-CG2 3.56Å; A418-V429 HydrophobicContact CB-CG1 4.4Å; V423-V429 HydrophobicContact CG1-CG2 4.11Å; V423-V429 HydrophobicContact CG2-CG2 4.15Å; V429-F432 HydrophobicContact CG1-CD1 3.91Å; V429-F432 HydrophobicContact CG1-CE1 3.47Å; V429-F432 VanDerWaalsContact CG1-CE1 3.47Å; V429-F432 HydrophobicContact CG1-CZ 4.07Å; V429-T434 HydrophobicContact CG2-CG2 4.35Å | ||
| 430 | E | 93.4 | Very high | 95.4 | Very high | 167 Ų | 167 | 44 Ų | 44 | 78% | 0.78 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -90.5 | -11.7 | 177.6 | -63.5 | 171.2 | 170.4 | 0 | 0 | 112.5 | ||
| 431 | G | 95.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -172.2 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T434 | G431-T434 WeakPolarHBondContact O-CB 3.41Å; G431-T434 PolarHBondContact O-N 2.9Å; G431-T434 PolarHBondContact O-OG1 3.34Å |
| 432 | F | 97.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.228 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -120.2 | 140.1 | -171.3 | -57.2 | -72.6 | 0 | 0 | 0 | 113 | Y385 A386 W388 C389 A418 T419 V429 | Y385-F432 VanDerWaalsContact C-CD1 3.43Å; A386-F432 HydrophobicContact CB-CB 4.24Å; A386-F432 HydrophobicContact CB-CD1 3.97Å; A386-F432 HydrophobicContact CB-CD2 3.57Å; A386-F432 HydrophobicContact CB-CE1 4.17Å; A386-F432 HydrophobicContact CB-CE2 3.81Å; A386-F432 HydrophobicContact CB-CG 3.65Å; A386-F432 HydrophobicContact CB-CZ 4.1Å; W388-F432 HydrophobicContact CH2-CD2 4.02Å; W388-F432 HydrophobicContact CH2-CE2 4.24Å; W388-F432 HydrophobicContact CZ2-CD2 4.23Å; W388-F432 HydrophobicContact CZ2-CE2 4.09Å; C389-F432 HydrophobicContact CB-CB 4.05Å; C389-F432 PolarHBondContact SG-O 3.07Å; C389-F432 VanDerWaalsContact SG-O 3.39Å; A418-F432 HydrophobicContact CB-CE1 3.76Å; A418-F432 HydrophobicContact CB-CZ 4.42Å; T419-F432 HydrophobicContact CG2-CE2 4.18Å; T419-F432 HydrophobicContact CG2-CZ 3.86Å; V429-F432 HydrophobicContact CG1-CD1 3.91Å; V429-F432 HydrophobicContact CG1-CE1 3.47Å; V429-F432 VanDerWaalsContact CG1-CE1 3.47Å; V429-F432 HydrophobicContact CG1-CZ 4.07Å |
| 433 | P | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | S | Bend | cis | -74.4 | 145.8 | -12.8 | 28.1 | -31.3 | 0 | 0 | 0 | 111.4 | E383 F384 C392 L395 R453 | E383-P433 HydrophobicContact CG-CB 3.92Å; E383-P433 VanDerWaalsContact OE1-CB 3.28Å; E383-P433 WeakPolarHBondContact OE1-CB 3.34Å; F384-P433 WeakPolarHBondContact O-CA 2.96Å; C392-P433 VanDerWaalsContact SG-CD 3.56Å; L395-P433 HydrophobicContact CD2-CB 4.12Å; L395-P433 HydrophobicContact CD2-CG 3.71Å; P433-R453 VanDerWaalsContact CD-NH1 3.32Å; P433-R453 VanDerWaalsContact CG-NH1 3.31Å; P433-R453 PolarHBondContact O-NH2 2.8Å |
| 434 | T | 98.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.8 | 166.4 | -74.9 | 0 | 0 | 0 | 0 | 108.2 | F384 V429 G431 Y436 | F384-T434 PolarHBondContact N-O 2.79Å; F384-T434 PolarHBondContact O-N 2.99Å; V429-T434 HydrophobicContact CG2-CG2 4.35Å; G431-T434 WeakPolarHBondContact O-CB 3.41Å; G431-T434 PolarHBondContact O-N 2.9Å; G431-T434 PolarHBondContact O-OG1 3.34Å; T434-Y436 HydrophobicContact CG2-CD2 3.78Å; T434-Y436 HydrophobicContact CG2-CE2 3.42Å; T434-Y436 VanDerWaalsContact CG2-CE2 3.42Å |
| 435 | I | 98.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.1 | -173.7 | -59.8 | 168.7 | 0 | 0 | 0 | 108.8 | M381 I382 E383 L395 Y449 F458 | M381-I435 HydrophobicContact CE-CG2 3.51Å; M381-I435 HydrophobicContact CG-CG2 4.03Å; I382-I435 WeakPolarHBondContact O-CA 3.48Å; E383-I435 HydrophobicContact CB-CG1 4.22Å; E383-I435 HydrophobicContact CG-CG1 4.09Å; L395-I435 HydrophobicContact CD2-CD1 3.81Å; I435-Y449 HydrophobicContact CB-CD1 4.42Å; I435-Y449 HydrophobicContact CD1-CD1 4.22Å; I435-Y449 HydrophobicContact CG2-CD1 4.42Å; I435-Y449 HydrophobicContact CG2-CG 4.3Å; I435-Y449 PolarHBondContact O-N 3.06Å; I435-F458 HydrophobicContact CD1-CE1 3.82Å; I435-F458 HydrophobicContact CD1-CZ 3.83Å |
| 436 | Y | 98.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.3 | 175.9 | -82 | -93.9 | 0 | 0 | 0 | 111.5 | M381 I382 F384 Y427 S428 T434 P446 K447 K448 | M381-Y436 CarbonylContact C-O 3.37Å; M381-Y436 WeakPolarHBondContact CA-O 3.17Å; I382-Y436 PolarHBondContact N-O 3.42Å; I382-Y436 PolarHBondContact O-N 2.96Å; F384-Y436 HydrophobicContact CD2-CD2 4.13Å; F384-Y436 AromaticContact CE2-CD2 3.89Å; F384-Y436 HydrophobicContact CE2-CD2 3.89Å; Y427-Y436 HydrophobicContact CD1-CD1 4.04Å; Y427-Y436 AromaticContact CD1-CD2 3.8Å; Y427-Y436 HydrophobicContact CD1-CD2 3.8Å; Y427-Y436 HydrophobicContact CD1-CE2 4.39Å; Y427-Y436 AromaticContact CD1-CG 3.59Å; Y427-Y436 HydrophobicContact CD1-CG 3.59Å; Y427-Y436 HydrophobicContact CE1-CD1 4.39Å; Y427-Y436 HydrophobicContact CE1-CG 4Å; S428-Y436 PolarHBondContact N-OH 2.88Å; S428-Y436 PolarHBondContact O-OH 3.33Å; T434-Y436 HydrophobicContact CG2-CD2 3.78Å; T434-Y436 HydrophobicContact CG2-CE2 3.42Å; T434-Y436 VanDerWaalsContact CG2-CE2 3.42Å; Y436-P446 HydrophobicContact CD1-CB 3.93Å; Y436-P446 HydrophobicContact CD1-CG 4.06Å; Y436-P446 WeakPolarHBondContact CD1-O 3.47Å; Y436-P446 HydrophobicContact CE1-CG 4.48Å; Y436-K447 CarbonylContact C-O 3.57Å; Y436-K447 WeakPolarHBondContact CA-O 3.45Å; Y436-K448 HydrophobicContact CD1-CB 4.11Å; Y436-K448 HydrophobicContact CE1-CB 3.7Å; Y436-K448 HydrophobicContact CE1-CG 4.31Å; Y436-K448 HydrophobicContact CE2-CG 4.33Å |
| 437 | F | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 108.7 | 169.6 | -177.6 | -104.9 | 0 | 0 | 0 | 109.7 | D379 V380 M381 K439 P446 K447 F461 L462 E465 | D379-F437 HydrophobicContact CB-CE2 3.78Å; D379-F437 HydrophobicContact CB-CZ 3.66Å; V380-F437 CarbonylContact O-C 3.03Å; M381-F437 HydrophobicContact CB-CD2 4.19Å; F437-K439 HydrophobicContact CD1-CB 4.35Å; F437-K439 HydrophobicContact CE1-CB 3.92Å; F437-K439 HydrophobicContact CE1-CG 4.03Å; F437-P446 CarbonylContact O-C 3.55Å; F437-P446 WeakPolarHBondContact O-CA 3.43Å; F437-K447 PolarHBondContact N-O 3.38Å; F437-K447 PolarHBondContact O-N 3.14Å; F437-F461 HydrophobicContact CB-CE1 3.65Å; F437-F461 HydrophobicContact CB-CZ 3.89Å; F437-F461 HydrophobicContact CD1-CE1 4.42Å; F437-F461 HydrophobicContact CD2-CE1 4.17Å; F437-F461 AromaticContact CG-CE1 3.83Å; F437-F461 HydrophobicContact CG-CE1 3.83Å; F437-F461 HydrophobicContact CG-CZ 4.3Å; F437-L462 HydrophobicContact CD2-CD2 3.93Å; F437-L462 HydrophobicContact CE2-CD2 3.79Å; F437-E465 HydrophobicContact CD1-CB 4.1Å; F437-E465 HydrophobicContact CE1-CB 3.82Å; F437-E465 HydrophobicContact CZ-CB 4.35Å |
| 438 | S | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 95.5 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | V380 Y427 K443 | V380-S438 PolarHBondContact N-O 3.27Å; V380-S438 PolarHBondContact O-N 2.84Å; Y427-S438 WeakPolarHBondContact OH-CB 3.45Å; Y427-S438 PolarHBondContact OH-OG 2.95Å; S438-K443 PolarHBondContact O-NZ 3.45Å; S438-K443 VanDerWaalsContact O-NZ 3.14Å; S438-K443 WeakPolarHBondContact OG-CD 3.49Å |
| 439 | K | 97.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.5 | -176.7 | -163.6 | -176.4 | 173.8 | 101.5 | 0 | 110.4 | D379 F437 D441 N442 K443 E465 S467 | D379-K439 WeakPolarHBondContact OD1-CA 3.4Å; F437-K439 HydrophobicContact CD1-CB 4.35Å; F437-K439 HydrophobicContact CE1-CB 3.92Å; F437-K439 HydrophobicContact CE1-CG 4.03Å; K439-D441 VanDerWaalsContact C-N 3.26Å; K439-D441 WeakPolarHBondContact CD-OD1 3.42Å; K439-D441 WeakPolarHBondContact CE-OD1 3.38Å; K439-D441 WeakPolarHBondContact CG-OD1 3.42Å; K439-D441 PolarHBondContact O-N 2.97Å; K439-N442 HydrophobicContact CB-CB 4.36Å; K439-N442 CarbonylContact O-C 3.58Å; K439-N442 VanDerWaalsContact O-C 3.31Å; K439-N442 PolarHBondContact O-N 2.81Å; K439-K443 WeakPolarHBondContact O-CD 3.46Å; K439-K443 PolarHBondContact O-N 2.9Å; K439-E465 PolarHBondContact NZ-O 2.8Å; K439-S467 WeakPolarHBondContact CE-OG 2.91Å; K439-S467 WeakPolarHBondContact CG-OG 3.24Å |
| 440 | R | 96.2 | Very high | 96.5 | Very high | 93 Ų | 93 | 57 Ų | 57 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -45.4 | -176.9 | -171.6 | 176.8 | 74.8 | 129.8 | -4 | 113.5 | D377 D379 S467 | D377-R440 WeakPolarHBondContact O-CD 3.2Å; D377-R440 WeakPolarHBondContact OD1-CD 3.33Å; D377-R440 WeakPolarHBondContact OD1-CG 3.21Å; D377-R440 IonicContact OD1-CZ 2.83Å; D377-R440 IonicContact OD1-NE 3.53Å; D377-R440 IonicContact OD1-NH1 3.72Å; D377-R440 PolarHBondContact OD1-NH1 3.08Å; D377-R440 VanDerWaalsContact OD1-NH1 3.17Å; D377-R440 IonicContact OD2-NH1 2.73Å; D379-R440 WeakPolarHBondContact OD1-CB 3.49Å; D379-R440 PolarHBondContact OD1-N 2.95Å; R440-S467 WeakPolarHBondContact CB-OG 3.38Å |
| 441 | D | 93.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 50.9 Ų | 50.9 | 60% | 0.599 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.4 | -177.2 | 60.4 | 0.7 | 0 | 0 | 0 | 113.9 | K439 | K439-D441 VanDerWaalsContact C-N 3.26Å; K439-D441 WeakPolarHBondContact CD-OD1 3.42Å; K439-D441 WeakPolarHBondContact CE-OD1 3.38Å; K439-D441 WeakPolarHBondContact CG-OD1 3.42Å; K439-D441 PolarHBondContact O-N 2.97Å |
| 442 | N | 95.2 | Very high | 96.6 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 56.1 | -177.3 | -167.4 | 12.8 | 0 | 0 | 0 | 112.6 | K439 S444 N445 | K439-N442 HydrophobicContact CB-CB 4.36Å; K439-N442 CarbonylContact O-C 3.58Å; K439-N442 VanDerWaalsContact O-C 3.31Å; K439-N442 PolarHBondContact O-N 2.81Å; N442-S444 VanDerWaalsContact C-N 3.26Å; N442-S444 PolarHBondContact O-N 3.04Å; N442-N445 PolarHBondContact O-N 2.97Å |
| 443 | K | 94.2 | Very high | 96.5 | Very high | 34 Ų | 34 | 55 Ų | 55 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -28.5 | -178.6 | -62.8 | -62.3 | -177.8 | -179.4 | 0 | 114.2 | V374 Q376 K378 S438 K439 N445 | V374-K443 WeakPolarHBondContact O-CE 3.29Å; V374-K443 PolarHBondContact O-NZ 3.16Å; Q376-K443 VanDerWaalsContact O-CE 3.24Å; Q376-K443 WeakPolarHBondContact O-CE 3.2Å; Q376-K443 PolarHBondContact O-NZ 3.19Å; K378-K443 PolarHBondContact O-NZ 3.09Å; S438-K443 PolarHBondContact O-NZ 3.45Å; S438-K443 VanDerWaalsContact O-NZ 3.14Å; S438-K443 WeakPolarHBondContact OG-CD 3.49Å; K439-K443 WeakPolarHBondContact O-CD 3.46Å; K439-K443 PolarHBondContact O-N 2.9Å; K443-N445 VanDerWaalsContact C-N 3.27Å; K443-N445 PolarHBondContact O-N 3.48Å |
| 444 | S | 93.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 58 Ų | 58 | 69% | 0.685 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -10.4 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | N442 | N442-S444 VanDerWaalsContact C-N 3.26Å; N442-S444 PolarHBondContact O-N 3.04Å |
| 445 | N | 96.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 61% | 0.61 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 67.7 | 178.3 | -169.5 | 20.6 | 0 | 0 | 0 | 111.7 | N442 K443 | N442-N445 PolarHBondContact O-N 2.97Å; K443-N445 VanDerWaalsContact C-N 3.27Å; K443-N445 PolarHBondContact O-N 3.48Å |
| 446 | P | 97.2 | Very high | 96.4 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 138 | 179.8 | 30.9 | -35.5 | 0 | 0 | 0 | 110.7 | P426 Y427 Y436 F437 | P426-P446 HydrophobicContact CG-CG 3.66Å; Y427-P446 HydrophobicContact CD1-CB 4.3Å; Y427-P446 HydrophobicContact CD1-CG 3.95Å; Y427-P446 HydrophobicContact CE1-CB 3.56Å; Y427-P446 HydrophobicContact CE1-CG 3.57Å; Y427-P446 HydrophobicContact CE2-CG 4.22Å; Y427-P446 HydrophobicContact CG-CG 4.45Å; Y436-P446 HydrophobicContact CD1-CB 3.93Å; Y436-P446 HydrophobicContact CD1-CG 4.06Å; Y436-P446 WeakPolarHBondContact CD1-O 3.47Å; Y436-P446 HydrophobicContact CE1-CG 4.48Å; F437-P446 CarbonylContact O-C 3.55Å; F437-P446 WeakPolarHBondContact O-CA 3.43Å |
| 447 | K | 97.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.9 | -176.8 | -172.3 | 177.3 | -171.4 | 174.4 | 0 | 110.7 | Y436 F437 Y449 F461 E465 | Y436-K447 CarbonylContact C-O 3.57Å; Y436-K447 WeakPolarHBondContact CA-O 3.45Å; F437-K447 PolarHBondContact N-O 3.38Å; F437-K447 PolarHBondContact O-N 3.14Å; K447-Y449 PolarHBondContact O-N 2.96Å; K447-F461 HydrophobicContact CD-CE2 4.28Å; K447-F461 HydrophobicContact CD-CZ 4.2Å; K447-E465 IonicContact NZ-OE1 2.82Å; K447-E465 PolarHBondContact NZ-OE1 2.9Å; K447-E465 IonicContact NZ-OE2 2.78Å; K447-E465 PolarHBondContact NZ-OE2 3.24Å |
| 448 | K | 97.8 | Very high | 96.3 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 125.7 | 172.8 | -168.1 | 171 | -178 | 169.9 | 0 | 110 | Y436 | Y436-K448 HydrophobicContact CD1-CB 4.11Å; Y436-K448 HydrophobicContact CE1-CB 3.7Å; Y436-K448 HydrophobicContact CE1-CG 4.31Å; Y436-K448 HydrophobicContact CE2-CG 4.33Å |
| 449 | Y | 97.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 132.1 | 177.5 | 178.4 | -99.1 | 0 | 0 | 0 | 111 | I435 K447 G451 S452 G457 F458 F461 | I435-Y449 HydrophobicContact CB-CD1 4.42Å; I435-Y449 HydrophobicContact CD1-CD1 4.22Å; I435-Y449 HydrophobicContact CG2-CD1 4.42Å; I435-Y449 HydrophobicContact CG2-CG 4.3Å; I435-Y449 PolarHBondContact O-N 3.06Å; K447-Y449 PolarHBondContact O-N 2.96Å; Y449-G451 WeakPolarHBondContact CE1-O 3.47Å; Y449-G451 VanDerWaalsContact CZ-CA 3.44Å; Y449-G451 VanDerWaalsContact OH-C 3.25Å; Y449-G451 WeakPolarHBondContact OH-CA 3.34Å; Y449-S452 PolarHBondContact OH-N 2.95Å; Y449-S452 PolarHBondContact OH-O 3.39Å; Y449-G457 PolarHBondContact OH-O 2.88Å; Y449-F458 HydrophobicContact CD1-CD1 4.37Å; Y449-F458 AromaticContact CD1-CE1 3.73Å; Y449-F458 HydrophobicContact CD1-CE1 3.73Å; Y449-F458 AromaticContact CE1-CD1 3.75Å; Y449-F458 HydrophobicContact CE1-CD1 3.75Å; Y449-F458 AromaticContact CE1-CE1 3.27Å; Y449-F458 HydrophobicContact CE1-CE1 3.27Å; Y449-F458 HydrophobicContact CE1-CZ 4.06Å; Y449-F458 HydrophobicContact CE2-CD1 4.15Å; Y449-F458 HydrophobicContact CE2-CE1 4.43Å; Y449-F458 HydrophobicContact CG-CE1 4.46Å; Y449-F458 AromaticContact CZ-CD1 3.61Å; Y449-F458 AromaticContact CZ-CE1 3.67Å; Y449-F461 HydrophobicContact CD2-CB 4.23Å; Y449-F461 AromaticContact CD2-CD1 3.74Å; Y449-F461 HydrophobicContact CD2-CD1 3.74Å; Y449-F461 AromaticContact CD2-CD2 3.64Å; Y449-F461 HydrophobicContact CD2-CD2 3.64Å; Y449-F461 AromaticContact CD2-CE1 3.95Å; Y449-F461 HydrophobicContact CD2-CE1 3.95Å; Y449-F461 AromaticContact CD2-CE2 3.83Å; Y449-F461 HydrophobicContact CD2-CE2 3.83Å; Y449-F461 AromaticContact CD2-CG 3.59Å; Y449-F461 HydrophobicContact CD2-CG 3.59Å; Y449-F461 AromaticContact CD2-CZ 3.99Å; Y449-F461 HydrophobicContact CD2-CZ 3.99Å; Y449-F461 HydrophobicContact CE2-CB 3.62Å; Y449-F461 AromaticContact CE2-CD1 3.98Å; Y449-F461 HydrophobicContact CE2-CD1 3.98Å; Y449-F461 AromaticContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CE2 4.4Å; Y449-F461 AromaticContact CE2-CG 3.5Å; Y449-F461 HydrophobicContact CE2-CG 3.5Å; Y449-F461 VanDerWaalsContact CE2-CG 3.5Å |
| 450 | S | 94.7 | Very high | 96.3 | Very high | 119 Ų | 119 | 63.5 Ų | 63.5 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | trans | -134.3 | 11.7 | -179.3 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 451 | G | 95.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -78.4 | -172.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y449 | Y449-G451 WeakPolarHBondContact CE1-O 3.47Å; Y449-G451 VanDerWaalsContact CZ-CA 3.44Å; Y449-G451 VanDerWaalsContact OH-C 3.25Å; Y449-G451 WeakPolarHBondContact OH-CA 3.34Å |
| 452 | S | 95.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -67 | 147 | 179.1 | 68 | 0 | 0 | 0 | 0 | 111.9 | Y449 D454 G457 | Y449-S452 PolarHBondContact OH-N 2.95Å; Y449-S452 PolarHBondContact OH-O 3.39Å; S452-D454 VanDerWaalsContact C-N 3.28Å; S452-D454 WeakPolarHBondContact CB-OD2 3.13Å; S452-D454 PolarHBondContact O-N 2.76Å; S452-D454 PolarHBondContact OG-OD1 2.79Å; S452-D454 PolarHBondContact OG-OD2 2.68Å; S452-G457 VanDerWaalsContact OG-CA 3.23Å; S452-G457 WeakPolarHBondContact OG-CA 3.5Å | ||
| 453 | R | 95.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -98.2 | 42.8 | -174.9 | -68.5 | -176 | 176.3 | -175.6 | -7 | 111.8 | L395 I398 P433 | L395-R453 HydrophobicContact CD1-CB 4.15Å; I398-R453 WeakPolarHBondContact CD1-O 3.47Å; P433-R453 VanDerWaalsContact CD-NH1 3.32Å; P433-R453 VanDerWaalsContact CG-NH1 3.31Å; P433-R453 PolarHBondContact O-NH2 2.8Å |
| 454 | D | 97.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -120.6 | 166.1 | 174.3 | 59.4 | 68.5 | 0 | 0 | 0 | 109.3 | S452 D456 G457 F458 | S452-D454 VanDerWaalsContact C-N 3.28Å; S452-D454 WeakPolarHBondContact CB-OD2 3.13Å; S452-D454 PolarHBondContact O-N 2.76Å; S452-D454 PolarHBondContact OG-OD1 2.79Å; S452-D454 PolarHBondContact OG-OD2 2.68Å; D454-D456 VanDerWaalsContact C-N 3.31Å; D454-D456 PolarHBondContact O-N 3.25Å; D454-D456 PolarHBondContact OD1-N 2.98Å; D454-G457 PolarHBondContact O-N 3.3Å; D454-G457 PolarHBondContact OD1-N 3.07Å; D454-F458 WeakPolarHBondContact O-CD2 3.31Å; D454-F458 PolarHBondContact O-N 2.89Å |
| 455 | V | 97.6 | Very high | 97 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | -174 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | I398 E401 V402 K405 F458 I459 | I398-V455 HydrophobicContact CG2-CG2 3.87Å; E401-V455 HydrophobicContact CB-CG2 4.16Å; E401-V455 HydrophobicContact CG-CG1 4.48Å; E401-V455 HydrophobicContact CG-CG2 4.19Å; V402-V455 HydrophobicContact CG2-CB 4.5Å; V402-V455 HydrophobicContact CG2-CG1 4.25Å; K405-V455 HydrophobicContact CD-CG1 4.03Å; V455-F458 PolarHBondContact O-N 3.11Å; V455-I459 HydrophobicContact CG1-CD1 3.72Å; V455-I459 HydrophobicContact CG1-CG1 4.42Å; V455-I459 VanDerWaalsContact O-CG1 3.31Å; V455-I459 WeakPolarHBondContact O-CG1 3.38Å; V455-I459 PolarHBondContact O-N 2.92Å |
| 456 | D | 96.7 | Very high | 97 | Very high | 106 Ų | 106 | 49 Ų | 49 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | -177.9 | -68.2 | -21.7 | 0 | 0 | 0 | 111.2 | D454 F458 I459 N460 | D454-D456 VanDerWaalsContact C-N 3.31Å; D454-D456 PolarHBondContact O-N 3.25Å; D454-D456 PolarHBondContact OD1-N 2.98Å; D456-F458 VanDerWaalsContact C-N 3.33Å; D456-F458 PolarHBondContact O-N 3.49Å; D456-I459 PolarHBondContact O-N 3.32Å; D456-N460 VanDerWaalsContact O-CB 3.25Å; D456-N460 WeakPolarHBondContact O-CB 3.48Å; D456-N460 PolarHBondContact O-N 3.1Å; D456-N460 PolarHBondContact O-ND2 2.87Å |
| 457 | G | 97.3 | Very high | 97 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.2 | -47.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y449 S452 D454 F461 | Y449-G457 PolarHBondContact OH-O 2.88Å; S452-G457 VanDerWaalsContact OG-CA 3.23Å; S452-G457 WeakPolarHBondContact OG-CA 3.5Å; D454-G457 PolarHBondContact O-N 3.3Å; D454-G457 PolarHBondContact OD1-N 3.07Å; G457-F461 WeakPolarHBondContact O-CB 3.42Å; G457-F461 PolarHBondContact O-N 3.17Å; G457-F461 VanDerWaalsContact O-N 3.1Å |
| 458 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 177 | -71.2 | -56.3 | 0 | 0 | 0 | 112.7 | M381 L395 I398 Y399 V402 I435 Y449 D454 V455 D456 N460 F461 L462 | M381-F458 HydrophobicContact CE-CD1 3.08Å; M381-F458 HydrophobicContact CE-CE1 3.23Å; M381-F458 HydrophobicContact CE-CG 4.07Å; M381-F458 HydrophobicContact CE-CZ 4.33Å; M381-F458 HydrophobicContact SD-CD1 4.33Å; L395-F458 HydrophobicContact CD1-CE2 3.71Å; L395-F458 HydrophobicContact CD1-CZ 3.86Å; I398-F458 HydrophobicContact CG2-CD2 4.21Å; I398-F458 HydrophobicContact CG2-CE2 4.07Å; Y399-F458 HydrophobicContact CD2-CE2 4.35Å; Y399-F458 HydrophobicContact CD2-CZ 4.25Å; V402-F458 HydrophobicContact CG1-CB 4.14Å; V402-F458 HydrophobicContact CG2-CB 3.71Å; V402-F458 HydrophobicContact CG2-CD2 3.79Å; V402-F458 HydrophobicContact CG2-CG 4.09Å; I435-F458 HydrophobicContact CD1-CE1 3.82Å; I435-F458 HydrophobicContact CD1-CZ 3.83Å; Y449-F458 HydrophobicContact CD1-CD1 4.37Å; Y449-F458 AromaticContact CD1-CE1 3.73Å; Y449-F458 HydrophobicContact CD1-CE1 3.73Å; Y449-F458 AromaticContact CE1-CD1 3.75Å; Y449-F458 HydrophobicContact CE1-CD1 3.75Å; Y449-F458 AromaticContact CE1-CE1 3.27Å; Y449-F458 HydrophobicContact CE1-CE1 3.27Å; Y449-F458 HydrophobicContact CE1-CZ 4.06Å; Y449-F458 HydrophobicContact CE2-CD1 4.15Å; Y449-F458 HydrophobicContact CE2-CE1 4.43Å; Y449-F458 HydrophobicContact CG-CE1 4.46Å; Y449-F458 AromaticContact CZ-CD1 3.61Å; Y449-F458 AromaticContact CZ-CE1 3.67Å; D454-F458 WeakPolarHBondContact O-CD2 3.31Å; D454-F458 PolarHBondContact O-N 2.89Å; V455-F458 PolarHBondContact O-N 3.11Å; D456-F458 VanDerWaalsContact C-N 3.33Å; D456-F458 PolarHBondContact O-N 3.49Å; F458-N460 PolarHBondContact O-N 2.85Å; F458-F461 PolarHBondContact O-N 3.28Å; F458-L462 WeakPolarHBondContact O-CB 3.33Å; F458-L462 VanDerWaalsContact O-CG 3.27Å; F458-L462 WeakPolarHBondContact O-CG 3.45Å; F458-L462 PolarHBondContact O-N 3.08Å |
| 459 | I | 97.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 179.1 | -70.3 | 172 | 0 | 0 | 0 | 110.8 | K405 M406 V455 D456 F461 L462 A463 W473 | K405-I459 HydrophobicContact CD-CD1 3.69Å; M406-I459 HydrophobicContact CE-CG1 4.26Å; V455-I459 HydrophobicContact CG1-CD1 3.72Å; V455-I459 HydrophobicContact CG1-CG1 4.42Å; V455-I459 VanDerWaalsContact O-CG1 3.31Å; V455-I459 WeakPolarHBondContact O-CG1 3.38Å; V455-I459 PolarHBondContact O-N 2.92Å; D456-I459 PolarHBondContact O-N 3.32Å; I459-F461 VanDerWaalsContact C-N 3.3Å; I459-F461 PolarHBondContact O-N 3.46Å; I459-L462 PolarHBondContact O-N 2.6Å; I459-A463 VanDerWaalsContact O-CB 3.23Å; I459-A463 WeakPolarHBondContact O-CB 3.4Å; I459-A463 PolarHBondContact O-N 2.81Å; I459-W473 VanDerWaalsContact CG2-CD1 3.43Å; I459-W473 HydrophobicContact CG2-CD2 4.38Å; I459-W473 HydrophobicContact CG2-CG 3.96Å |
| 460 | N | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.4 | -70.3 | -25.6 | 0 | 0 | 0 | 111.4 | D456 F458 K464 S476 G477 | D456-N460 VanDerWaalsContact O-CB 3.25Å; D456-N460 WeakPolarHBondContact O-CB 3.48Å; D456-N460 PolarHBondContact O-N 3.1Å; D456-N460 PolarHBondContact O-ND2 2.87Å; F458-N460 PolarHBondContact O-N 2.85Å; N460-K464 VanDerWaalsContact O-CB 3.29Å; N460-K464 WeakPolarHBondContact O-CB 3.2Å; N460-K464 PolarHBondContact O-N 2.91Å; N460-K464 VanDerWaalsContact O-N 3.16Å; N460-S476 PolarHBondContact OD1-O 3.14Å; N460-G477 WeakPolarHBondContact OD1-CA 3.29Å |
| 461 | F | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -49.4 | 176.2 | 175.2 | -88.9 | 0 | 0 | 0 | 112.2 | F437 K447 Y449 G457 F458 I459 A463 K464 E465 | F437-F461 HydrophobicContact CB-CE1 3.65Å; F437-F461 HydrophobicContact CB-CZ 3.89Å; F437-F461 HydrophobicContact CD1-CE1 4.42Å; F437-F461 HydrophobicContact CD2-CE1 4.17Å; F437-F461 AromaticContact CG-CE1 3.83Å; F437-F461 HydrophobicContact CG-CE1 3.83Å; F437-F461 HydrophobicContact CG-CZ 4.3Å; K447-F461 HydrophobicContact CD-CE2 4.28Å; K447-F461 HydrophobicContact CD-CZ 4.2Å; Y449-F461 HydrophobicContact CD2-CB 4.23Å; Y449-F461 AromaticContact CD2-CD1 3.74Å; Y449-F461 HydrophobicContact CD2-CD1 3.74Å; Y449-F461 AromaticContact CD2-CD2 3.64Å; Y449-F461 HydrophobicContact CD2-CD2 3.64Å; Y449-F461 AromaticContact CD2-CE1 3.95Å; Y449-F461 HydrophobicContact CD2-CE1 3.95Å; Y449-F461 AromaticContact CD2-CE2 3.83Å; Y449-F461 HydrophobicContact CD2-CE2 3.83Å; Y449-F461 AromaticContact CD2-CG 3.59Å; Y449-F461 HydrophobicContact CD2-CG 3.59Å; Y449-F461 AromaticContact CD2-CZ 3.99Å; Y449-F461 HydrophobicContact CD2-CZ 3.99Å; Y449-F461 HydrophobicContact CE2-CB 3.62Å; Y449-F461 AromaticContact CE2-CD1 3.98Å; Y449-F461 HydrophobicContact CE2-CD1 3.98Å; Y449-F461 AromaticContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CE2 4.4Å; Y449-F461 AromaticContact CE2-CG 3.5Å; Y449-F461 HydrophobicContact CE2-CG 3.5Å; Y449-F461 VanDerWaalsContact CE2-CG 3.5Å; G457-F461 WeakPolarHBondContact O-CB 3.42Å; G457-F461 PolarHBondContact O-N 3.17Å; G457-F461 VanDerWaalsContact O-N 3.1Å; F458-F461 PolarHBondContact O-N 3.28Å; I459-F461 VanDerWaalsContact C-N 3.3Å; I459-F461 PolarHBondContact O-N 3.46Å; F461-A463 PolarHBondContact O-N 2.73Å; F461-K464 PolarHBondContact O-N 3.11Å; F461-E465 HydrophobicContact CD1-CG 4.38Å; F461-E465 HydrophobicContact CD2-CG 3.96Å; F461-E465 HydrophobicContact CE1-CB 4.37Å; F461-E465 HydrophobicContact CE1-CG 4.12Å; F461-E465 HydrophobicContact CE2-CG 3.71Å; F461-E465 HydrophobicContact CG-CG 4.3Å; F461-E465 HydrophobicContact CZ-CB 4.39Å; F461-E465 HydrophobicContact CZ-CG 3.79Å; F461-E465 WeakPolarHBondContact O-CB 3.49Å; F461-E465 VanDerWaalsContact O-CG 3.3Å; F461-E465 WeakPolarHBondContact O-CG 3.11Å; F461-E465 PolarHBondContact O-N 2.78Å |
| 462 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 179.8 | -73.8 | 173.2 | 0 | 0 | 0 | 111 | M381 V402 M406 I411 I413 F437 F458 I459 K464 E465 A466 | M381-L462 HydrophobicContact CB-CD2 4.06Å; M381-L462 HydrophobicContact CG-CD2 4.42Å; M381-L462 HydrophobicContact SD-CD1 4.21Å; M381-L462 HydrophobicContact SD-CD2 3.54Å; M381-L462 VanDerWaalsContact SD-CD2 3.54Å; M381-L462 HydrophobicContact SD-CG 3.93Å; V402-L462 HydrophobicContact CG1-CD1 3.96Å; M406-L462 HydrophobicContact CG-CD1 3.92Å; M406-L462 HydrophobicContact SD-CD1 3.85Å; I411-L462 HydrophobicContact CD1-CB 4.32Å; I411-L462 HydrophobicContact CD1-CD2 4.08Å; I411-L462 HydrophobicContact CG2-CD2 4.17Å; I413-L462 HydrophobicContact CD1-CD1 3.86Å; F437-L462 HydrophobicContact CD2-CD2 3.93Å; F437-L462 HydrophobicContact CE2-CD2 3.79Å; F458-L462 WeakPolarHBondContact O-CB 3.33Å; F458-L462 VanDerWaalsContact O-CG 3.27Å; F458-L462 WeakPolarHBondContact O-CG 3.45Å; F458-L462 PolarHBondContact O-N 3.08Å; I459-L462 PolarHBondContact O-N 2.6Å; L462-K464 VanDerWaalsContact C-N 3.28Å; L462-K464 PolarHBondContact O-N 2.86Å; L462-E465 PolarHBondContact O-N 3.38Å; L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 2.77Å |
| 463 | A | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I459 F461 L470 W473 D474 R475 | I459-A463 VanDerWaalsContact O-CB 3.23Å; I459-A463 WeakPolarHBondContact O-CB 3.4Å; I459-A463 PolarHBondContact O-N 2.81Å; F461-A463 PolarHBondContact O-N 2.73Å; A463-L470 HydrophobicContact CB-CD1 3.99Å; A463-W473 HydrophobicContact CB-CB 4.35Å; A463-D474 VanDerWaalsContact CB-O 3.29Å; A463-D474 WeakPolarHBondContact CB-O 3.34Å; A463-R475 WeakPolarHBondContact O-CD 3.5Å; A463-R475 PolarHBondContact O-NH1 3.18Å |
| 464 | K | 96.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 44.1 Ų | 44.1 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69 | -45.5 | 176.3 | -179.3 | -178.3 | 176.1 | -178.5 | 0 | 112.7 | N460 F461 L462 R475 | N460-K464 VanDerWaalsContact O-CB 3.29Å; N460-K464 WeakPolarHBondContact O-CB 3.2Å; N460-K464 PolarHBondContact O-N 2.91Å; N460-K464 VanDerWaalsContact O-N 3.16Å; F461-K464 PolarHBondContact O-N 3.11Å; L462-K464 VanDerWaalsContact C-N 3.28Å; L462-K464 PolarHBondContact O-N 2.86Å; K464-R475 PolarHBondContact O-NH1 3.03Å |
| 465 | E | 96.4 | Very high | 96.5 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -93.4 | -17.8 | -167.5 | -59.1 | -72.8 | 156 | 0 | 0 | 113.8 | F437 K439 K447 F461 L462 | F437-E465 HydrophobicContact CD1-CB 4.1Å; F437-E465 HydrophobicContact CE1-CB 3.82Å; F437-E465 HydrophobicContact CZ-CB 4.35Å; K439-E465 PolarHBondContact NZ-O 2.8Å; K447-E465 IonicContact NZ-OE1 2.82Å; K447-E465 PolarHBondContact NZ-OE1 2.9Å; K447-E465 IonicContact NZ-OE2 2.78Å; K447-E465 PolarHBondContact NZ-OE2 3.24Å; F461-E465 HydrophobicContact CD1-CG 4.38Å; F461-E465 HydrophobicContact CD2-CG 3.96Å; F461-E465 HydrophobicContact CE1-CB 4.37Å; F461-E465 HydrophobicContact CE1-CG 4.12Å; F461-E465 HydrophobicContact CE2-CG 3.71Å; F461-E465 HydrophobicContact CG-CG 4.3Å; F461-E465 HydrophobicContact CZ-CB 4.39Å; F461-E465 HydrophobicContact CZ-CG 3.79Å; F461-E465 WeakPolarHBondContact O-CB 3.49Å; F461-E465 VanDerWaalsContact O-CG 3.3Å; F461-E465 WeakPolarHBondContact O-CG 3.11Å; F461-E465 PolarHBondContact O-N 2.78Å; L462-E465 PolarHBondContact O-N 3.38Å |
| 466 | A | 96.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | trans | -49.2 | 139.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D379 I411 L462 S468 L470 R475 | D379-A466 WeakPolarHBondContact OD2-CA 3.36Å; I411-A466 HydrophobicContact CD1-CB 3.93Å; L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 2.77Å; A466-S468 VanDerWaalsContact C-N 3.29Å; A466-S468 WeakPolarHBondContact CB-O 3.34Å; A466-S468 PolarHBondContact O-N 2.87Å; A466-L470 HydrophobicContact CB-CD2 3.99Å; A466-L470 HydrophobicContact CB-CG 4.5Å; A466-R475 PolarHBondContact O-NH1 3.19Å; A466-R475 PolarHBondContact O-NH2 3.07Å | ||
| 467 | S | 96.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -58.9 | -41.3 | 176.9 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | D379 K439 R440 | D379-S467 WeakPolarHBondContact OD1-CB 3.45Å; D379-S467 PolarHBondContact OD1-OG 3.07Å; D379-S467 WeakPolarHBondContact OD2-CB 3.41Å; D379-S467 PolarHBondContact OD2-N 2.66Å; D379-S467 PolarHBondContact OD2-OG 2.96Å; K439-S467 WeakPolarHBondContact CE-OG 2.91Å; K439-S467 WeakPolarHBondContact CG-OG 3.24Å; R440-S467 WeakPolarHBondContact CB-OG 3.38Å |
| 468 | S | 94.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 33% | 0.329 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -117.3 | 153.3 | 171.5 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | A466 L470 | A466-S468 VanDerWaalsContact C-N 3.29Å; A466-S468 WeakPolarHBondContact CB-O 3.34Å; A466-S468 PolarHBondContact O-N 2.87Å; S468-L470 PolarHBondContact O-N 3.39Å |
| 469 | E | 95 | Very high | 95.7 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | trans | -61.4 | 140.3 | 173.3 | -163.9 | -178.3 | -154.6 | 0 | 0 | 110.3 | R475 K480 | E469-R475 HydrophobicContact CG-CG 4.2Å; E469-K480 IonicContact OE1-NZ 2.68Å; E469-K480 IonicContact OE2-NZ 2.62Å; E469-K480 PolarHBondContact OE2-NZ 3.18Å | ||
| 470 | L | 95.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -67.6 | 152.6 | 178.6 | -56.2 | -175.9 | 0 | 0 | 0 | 110.6 | M406 E409 I411 A463 A466 S468 W473 K480 | M406-L470 HydrophobicContact SD-CD1 4.13Å; E409-L470 HydrophobicContact CB-CD2 4.27Å; E409-L470 HydrophobicContact CG-CD2 4.31Å; E409-L470 VanDerWaalsContact OE2-CA 3.32Å; E409-L470 WeakPolarHBondContact OE2-CA 3.39Å; I411-L470 HydrophobicContact CD1-CD2 3.59Å; I411-L470 HydrophobicContact CG1-CD2 3.94Å; A463-L470 HydrophobicContact CB-CD1 3.99Å; A466-L470 HydrophobicContact CB-CD2 3.99Å; A466-L470 HydrophobicContact CB-CG 4.5Å; S468-L470 PolarHBondContact O-N 3.39Å; L470-W473 HydrophobicContact CB-CB 4.2Å; L470-W473 HydrophobicContact CB-CE3 4.23Å; L470-W473 HydrophobicContact CD1-CB 4.18Å; L470-W473 HydrophobicContact CD1-CE3 4.12Å; L470-W473 VanDerWaalsContact O-O 3.12Å; L470-K480 PolarHBondContact O-NZ 2.83Å | ||
| 471 | K | 95 | Very high | 94.6 | Very high | 158 Ų | 158 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -72.6 | -42.1 | 177.4 | -63.7 | 176.3 | -176.5 | 165.2 | 0 | 111.1 | G408 E409 K480 | G408-K471 PolarHBondContact O-NZ 2.9Å; E409-K471 VanDerWaalsContact CD-N 3.3Å; E409-K471 PolarHBondContact OE1-N 2.91Å; E409-K471 PolarHBondContact OE2-N 3.09Å; K471-K480 WeakPolarHBondContact O-CD 3.23Å |
| 472 | G | 94.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 71.2 Ų | 71.2 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -90 | -15.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E409 P479 K480 | E409-G472 PolarHBondContact OE1-N 2.77Å; G472-P479 CarbonylContact O-C 3.49Å; G472-P479 VanDerWaalsContact O-CA 3.27Å; G472-P479 WeakPolarHBondContact O-CA 3.49Å; G472-K480 PolarHBondContact O-N 3.01Å |
| 473 | W | 95.5 | Very high | 91 | Very high | 34 Ų | 34 | 80.6 Ų | 80.6 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 142.5 | -173.6 | -61.9 | -94.6 | 0 | 0 | 0 | 112.6 | K405 M406 E409 I459 A463 L470 K478 K480 | K405-W473 HydrophobicContact CB-CH2 4.02Å; K405-W473 HydrophobicContact CB-CZ2 4.01Å; K405-W473 WeakPolarHBondContact O-CH2 3.27Å; K405-W473 WeakPolarHBondContact O-CZ3 3.48Å; M406-W473 HydrophobicContact CE-CD2 4.03Å; M406-W473 HydrophobicContact CE-CE3 3.64Å; M406-W473 HydrophobicContact CE-CH2 3.53Å; M406-W473 HydrophobicContact CE-CZ2 3.84Å; M406-W473 HydrophobicContact CE-CZ3 3.38Å; E409-W473 HydrophobicContact CG-CE3 4.34Å; E409-W473 HydrophobicContact CG-CZ3 3.92Å; E409-W473 VanDerWaalsContact OE1-CZ3 3.29Å; E409-W473 WeakPolarHBondContact OE1-CZ3 3.46Å; I459-W473 VanDerWaalsContact CG2-CD1 3.43Å; I459-W473 HydrophobicContact CG2-CD2 4.38Å; I459-W473 HydrophobicContact CG2-CG 3.96Å; A463-W473 HydrophobicContact CB-CB 4.35Å; L470-W473 HydrophobicContact CB-CB 4.2Å; L470-W473 HydrophobicContact CB-CE3 4.23Å; L470-W473 HydrophobicContact CD1-CB 4.18Å; L470-W473 HydrophobicContact CD1-CE3 4.12Å; L470-W473 VanDerWaalsContact O-O 3.12Å; W473-K478 CarbonylContact C-O 3.52Å; W473-K478 VanDerWaalsContact CA-O 3.27Å; W473-K478 WeakPolarHBondContact CA-O 3.35Å; W473-K480 VanDerWaalsContact O-CE 3.29Å; W473-K480 WeakPolarHBondContact O-CE 3.29Å |
| 474 | D | 95.3 | Very high | 88.5 | Confident | 51 Ų | 51 | 92 Ų | 92 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | trans | -76.6 | 168.6 | 167.8 | 71.7 | 23.1 | 0 | 0 | 0 | 111.3 | A463 S476 G477 K478 K480 | A463-D474 VanDerWaalsContact CB-O 3.29Å; A463-D474 WeakPolarHBondContact CB-O 3.34Å; D474-S476 PolarHBondContact O-N 3.31Å; D474-S476 VanDerWaalsContact OD1-CA 3.3Å; D474-S476 WeakPolarHBondContact OD1-CA 3.32Å; D474-S476 WeakPolarHBondContact OD1-CB 3.34Å; D474-S476 PolarHBondContact OD1-N 3.13Å; D474-S476 PolarHBondContact OD1-OG 3.47Å; D474-S476 PolarHBondContact OD2-OG 3.21Å; D474-G477 PolarHBondContact O-N 2.67Å; D474-G477 PolarHBondContact OD1-N 3.02Å; D474-K478 PolarHBondContact N-O 2.86Å; D474-K478 PolarHBondContact OD1-N 3.09Å; D474-K480 HydrophobicContact CB-CG 4.5Å | ||
| 475 | R | 96 | Very high | 88.1 | Confident | 100 Ų | 100 | 89.6 Ų | 89.6 | 38% | 0.377 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -11.1 | 178.8 | -68.5 | -59.9 | -165.6 | 169.4 | 2.1 | 115.5 | A463 K464 A466 E469 | A463-R475 WeakPolarHBondContact O-CD 3.5Å; A463-R475 PolarHBondContact O-NH1 3.18Å; K464-R475 PolarHBondContact O-NH1 3.03Å; A466-R475 PolarHBondContact O-NH1 3.19Å; A466-R475 PolarHBondContact O-NH2 3.07Å; E469-R475 HydrophobicContact CG-CG 4.2Å |
| 476 | S | 93.4 | Very high | 87.6 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4.9 | 173.5 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | N460 D474 | N460-S476 PolarHBondContact OD1-O 3.14Å; D474-S476 PolarHBondContact O-N 3.31Å; D474-S476 VanDerWaalsContact OD1-CA 3.3Å; D474-S476 WeakPolarHBondContact OD1-CA 3.32Å; D474-S476 WeakPolarHBondContact OD1-CB 3.34Å; D474-S476 PolarHBondContact OD1-N 3.13Å; D474-S476 PolarHBondContact OD1-OG 3.47Å; D474-S476 PolarHBondContact OD2-OG 3.21Å |
| 477 | G | 93.1 | Very high | 87.1 | Confident | 9 Ų | 9 | 97.4 Ų | 97.4 | 9% | 0.093 | 49% | 0.486 | C | S | . | . | S | Bend | trans | 85.6 | 12 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N460 D474 | N460-G477 WeakPolarHBondContact OD1-CA 3.29Å; D474-G477 PolarHBondContact O-N 2.67Å; D474-G477 PolarHBondContact OD1-N 3.02Å |
| 478 | K | 94 | Very high | 86.6 | Confident | 136 Ų | 136 | 101.6 Ų | 101.6 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -88 | 143.2 | 176.3 | -67.2 | -179.8 | -178.9 | -179.9 | 0 | 111.2 | W473 D474 K480 | W473-K478 CarbonylContact C-O 3.52Å; W473-K478 VanDerWaalsContact CA-O 3.27Å; W473-K478 WeakPolarHBondContact CA-O 3.35Å; D474-K478 PolarHBondContact N-O 2.86Å; D474-K478 PolarHBondContact OD1-N 3.09Å; K478-K480 PolarHBondContact O-N 3.17Å |
| 479 | P | 93.4 | Very high | 86.1 | Confident | 101 Ų | 101 | 105 Ų | 105 | 66% | 0.656 | 52% | 0.515 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 131.6 | 175.7 | -24 | 33.8 | 0 | 0 | 0 | 112.2 | G472 | G472-P479 CarbonylContact O-C 3.49Å; G472-P479 VanDerWaalsContact O-CA 3.27Å; G472-P479 WeakPolarHBondContact O-CA 3.49Å |
| 480 | K | 91 | Very high | 85.5 | Confident | 80 Ų | 80 | 105.9 Ų | 105.9 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 137.1 | 170.1 | -72.9 | 176.1 | 169.5 | 178.7 | 0 | 108.8 | E469 L470 K471 G472 W473 D474 K478 Q482 | E469-K480 IonicContact OE1-NZ 2.68Å; E469-K480 IonicContact OE2-NZ 2.62Å; E469-K480 PolarHBondContact OE2-NZ 3.18Å; L470-K480 PolarHBondContact O-NZ 2.83Å; K471-K480 WeakPolarHBondContact O-CD 3.23Å; G472-K480 PolarHBondContact O-N 3.01Å; W473-K480 VanDerWaalsContact O-CE 3.29Å; W473-K480 WeakPolarHBondContact O-CE 3.29Å; D474-K480 HydrophobicContact CB-CG 4.5Å; K478-K480 PolarHBondContact O-N 3.17Å; K480-Q482 PolarHBondContact O-N 3.44Å |
| 481 | K | 81.5 | Confident | 84.8 | Confident | 203 Ų | 203 | 113.1 Ų | 113.1 | 88% | 0.883 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.8 | 172.6 | -67.5 | -176.9 | 179.8 | 180 | 0 | 107.9 | E483 | K481-E483 PolarHBondContact O-N 3.36Š|
| 482 | Q | 62.3 | Low | 84 | Confident | 182 Ų | 182 | 109.7 Ų | 109.7 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 121.1 | 167.3 | -83.7 | 179 | -31.9 | 0 | 0 | 107.8 | K480 L484 | K480-Q482 PolarHBondContact O-N 3.44Å; Q482-L484 PolarHBondContact O-N 2.87Å |
| 483 | E | 58.9 | Low | 83.1 | Confident | 197 Ų | 197 | 116.8 Ų | 116.8 | 92% | 0.921 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.7 | 159.6 | -70.7 | -172.2 | 160.3 | 0 | 0 | 106.2 | K481 | K481-E483 PolarHBondContact O-N 3.36Š|
| 484 | L | 43.5 | Very low | 82 | Confident | 241 Ų | 241 | 124.3 Ų | 124.3 | 100% | 1.262 | 61% | 0.611 | S | S | * | * | trans | -64.7 | 0 | -178.6 | -88.5 | 161.3 | 0 | 0 | 0 | 112.2 | Q482 | Q482-L484 PolarHBondContact O-N 2.87Š|
Retrieved 484 of 484 residues in 3210.5 ms
(Link to these results)