| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 40.4 | Very low | 240 Ų | 240 | 161.3 Ų | 161.3 | 100% | 1.182 | 83% | 0.832 | S | S | * | * | 0 | 96.7 | 0 | -73.6 | 175.4 | -162.1 | 0 | 0 | 107.5 | |||||
| 2 | A | 39.8 | Very low | 40 | Very low | 100 Ų | 100 | 160.8 Ų | 160.8 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -102.2 | 117.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | F | 39.1 | Very low | 40.2 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -67 | 121.5 | 177.2 | -78.6 | -99 | 0 | 0 | 0 | 110.5 | ||||
| 4 | T | 42.7 | Very low | 40.1 | Very low | 133 Ų | 133 | 157.1 Ų | 157.1 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -102.2 | 92 | 165.8 | 37 | 0 | 0 | 0 | 0 | 108.9 | V6 | T4-V6 PolarHBondContact O-N 3.38Š| ||
| 5 | S | 42 | Very low | 40.1 | Very low | 100 Ų | 100 | 159.7 Ų | 159.7 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | -69.2 | 119.8 | 169.6 | -79.4 | 0 | 0 | 0 | 0 | 110.1 | F7 | S5-F7 PolarHBondContact O-N 3.26Š| ||
| 6 | V | 42.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | trans | -73.4 | 107.2 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | T4 F8 | T4-V6 PolarHBondContact O-N 3.38Å; V6-F8 HydrophobicContact CG1-CD2 4.34Å; V6-F8 HydrophobicContact CG1-CE2 4.34Å; V6-F8 PolarHBondContact O-N 3.32Å | ||
| 7 | F | 42.5 | Very low | 40.6 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 106.1 | 169.6 | -92.4 | -92.8 | 0 | 0 | 0 | 109.5 | S5 Y9 | S5-F7 PolarHBondContact O-N 3.26Å; F7-Y9 PolarHBondContact O-N 3.24Å | ||
| 8 | F | 41.1 | Very low | 40.8 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 79% | 0.789 | 80% | 0.804 | S | S | * | * | trans | -69 | 108.4 | 164.3 | -91.1 | -93 | 0 | 0 | 0 | 109.1 | V6 H10 | V6-F8 HydrophobicContact CG1-CD2 4.34Å; V6-F8 HydrophobicContact CG1-CE2 4.34Å; V6-F8 PolarHBondContact O-N 3.32Å; F8-H10 PolarHBondContact O-N 3.07Å | ||
| 9 | Y | 39.6 | Very low | 41.1 | Very low | 213 Ų | 213 | 146.5 Ų | 146.5 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 101.3 | 166.3 | -87.7 | -92.1 | 0 | 0 | 0 | 109.1 | F7 V11 | F7-Y9 PolarHBondContact O-N 3.24Å; Y9-V11 PolarHBondContact O-N 3.1Å; Y9-V11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | H | 37 | Very low | 41.8 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 105.8 | 158.7 | -86.1 | -65.3 | 0 | 0 | 0 | 108.3 | F8 L12 | F8-H10 PolarHBondContact O-N 3.07Å; H10-L12 VanDerWaalsContact C-N 3.29Å; H10-L12 PolarHBondContact O-N 2.92Å | ||
| 11 | V | 38.7 | Very low | 42.6 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 96.2 | 163.2 | 176.2 | 0 | 0 | 0 | 0 | 106.8 | Y9 A13 | Y9-V11 PolarHBondContact O-N 3.1Å; Y9-V11 VanDerWaalsContact O-N 3.1Å; V11-A13 VanDerWaalsContact C-N 3.27Å; V11-A13 PolarHBondContact O-N 2.92Å | ||
| 12 | L | 35.6 | Very low | 43.9 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -62.6 | 94.6 | 163.1 | -84.8 | 158.8 | 0 | 0 | 0 | 107.1 | H10 Q14 | H10-L12 VanDerWaalsContact C-N 3.29Å; H10-L12 PolarHBondContact O-N 2.92Å; L12-Q14 VanDerWaalsContact C-N 3.29Å; L12-Q14 PolarHBondContact O-N 2.9Å | ||
| 13 | A | 42.1 | Very low | 46.1 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 100.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | V11 K15 | V11-A13 VanDerWaalsContact C-N 3.27Å; V11-A13 PolarHBondContact O-N 2.92Å; A13-K15 PolarHBondContact O-N 2.76Å | ||
| 14 | Q | 39.5 | Very low | 48.7 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -61 | 84.9 | 163.4 | -75.5 | 179.4 | -12.1 | 0 | 0 | 107.5 | L12 A16 | L12-Q14 VanDerWaalsContact C-N 3.29Å; L12-Q14 PolarHBondContact O-N 2.9Å; Q14-A16 PolarHBondContact O-N 3.03Å | ||
| 15 | K | 39.9 | Very low | 51.2 | Low | 196 Ų | 196 | 132.5 Ų | 132.5 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | -68.9 | 81.8 | 150.9 | -75.9 | -175.6 | 177.2 | -178.8 | 0 | 105.5 | A13 G17 | A13-K15 PolarHBondContact O-N 2.76Å; K15-G17 PolarHBondContact O-N 2.95Å | ||
| 16 | A | 47.7 | Very low | 53.9 | Low | 82 Ų | 82 | 128.5 Ų | 128.5 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | trans | -51 | 115.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106 | Q14 L18 | Q14-A16 PolarHBondContact O-N 3.03Å; A16-L18 PolarHBondContact O-N 3Å | ||
| 17 | G | 41.4 | Very low | 56.5 | Low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | trans | -62 | 108.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K15 T19 | K15-G17 PolarHBondContact O-N 2.95Å; G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 3.03Å | ||
| 18 | L | 44.3 | Very low | 59.2 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | trans | -65.8 | 96 | 156.7 | -78.3 | 156.8 | 0 | 0 | 0 | 106 | A16 A20 | A16-L18 PolarHBondContact O-N 3Å; L18-A20 PolarHBondContact O-N 3.2Å | ||
| 19 | T | 46.4 | Very low | 61.9 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | trans | -57.1 | 130.5 | 161 | 46.3 | 0 | 0 | 0 | 0 | 106.9 | G17 D21 Q22 | G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 3.03Å; T19-D21 PolarHBondContact O-N 3.41Å; T19-Q22 PolarHBondContact O-N 2.74Å | ||
| 20 | A | 54.2 | Low | 64.6 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 94% | 0.942 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 5.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L18 | L18-A20 PolarHBondContact O-N 3.2Š|
| 21 | D | 58.1 | Low | 67.5 | Low | 155 Ų | 155 | 103.5 Ų | 103.5 | 83% | 0.829 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 7.1 | -175.3 | -126.9 | 7.1 | 0 | 0 | 0 | 113.7 | T19 E23 | T19-D21 PolarHBondContact O-N 3.41Å; D21-E23 PolarHBondContact O-N 3.3Å |
| 22 | Q | 67.8 | Low | 70.3 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | trans | -80.7 | 109.8 | 176.5 | -164 | 173.3 | 3.1 | 0 | 0 | 110.7 | T19 D38 | T19-Q22 PolarHBondContact O-N 2.74Å; Q22-D38 PolarHBondContact NE2-O 3.08Å; Q22-D38 VanDerWaalsContact NE2-O 3.08Å | ||
| 23 | E | 85.9 | Confident | 73.3 | Confident | 171 Ų | 171 | 97.3 Ų | 97.3 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | trans | -60.1 | 134.8 | 176 | -69.7 | -171.1 | 165.3 | 0 | 0 | 111.7 | D21 S25 | D21-E23 PolarHBondContact O-N 3.3Å; E23-S25 PolarHBondContact O-N 3.41Å | ||
| 24 | R | 94 | Very high | 76 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 33% | 0.332 | 52% | 0.523 | S | S | . | . | trans | -63.1 | 122.3 | 176.1 | -75.5 | -175 | 65.6 | -175.7 | -12.5 | 110.5 | D38 Y168 G171 G172 | R24-D38 VanDerWaalsContact CA-OD1 3.26Å; R24-D38 WeakPolarHBondContact CA-OD1 3.28Å; R24-Y168 HydrophobicContact CB-CD1 4.1Å; R24-Y168 HydrophobicContact CB-CE1 3.85Å; R24-Y168 HydrophobicContact CG-CE1 4.43Å; R24-Y168 PolarHBondContact NE-O 2.73Å; R24-Y168 PolarHBondContact NH2-O 3.49Å; R24-G171 PolarHBondContact NH1-O 3.02Å; R24-G172 PolarHBondContact NH2-O 2.56Å | ||
| 25 | S | 95.6 | Very high | 78.8 | Confident | 48 Ų | 48 | 86.5 Ų | 86.5 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | trans | -138.2 | 146.7 | -175.1 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | E23 K37 D38 Y168 | E23-S25 PolarHBondContact O-N 3.41Å; S25-K37 WeakPolarHBondContact O-CA 3.5Å; S25-D38 PolarHBondContact N-OD1 3.44Å; S25-D38 PolarHBondContact O-N 2.81Å; S25-Y168 WeakPolarHBondContact O-CE1 3.22Å | ||
| 26 | F | 97.8 | Very high | 81.6 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 7% | 0.07 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122 | 168.2 | -175.5 | -90.6 | 0 | 0 | 0 | 108.9 | F35 L36 K37 Y42 Y168 I175 M176 T210 | F26-F35 AromaticContact CE1-CD1 3.64Å; F26-F35 HydrophobicContact CE1-CD1 3.64Å; F26-F35 HydrophobicContact CE1-CE1 4.09Å; F26-F35 HydrophobicContact CE1-CG 4.28Å; F26-F35 HydrophobicContact CE2-CB 4Å; F26-F35 HydrophobicContact CE2-CD1 4.48Å; F26-F35 HydrophobicContact CE2-CG 4.36Å; F26-F35 HydrophobicContact CZ-CB 3.75Å; F26-F35 AromaticContact CZ-CD1 3.46Å; F26-F35 HydrophobicContact CZ-CD1 3.46Å; F26-F35 VanDerWaalsContact CZ-CD1 3.46Å; F26-F35 HydrophobicContact CZ-CD2 4.4Å; F26-F35 HydrophobicContact CZ-CE1 4.12Å; F26-F35 AromaticContact CZ-CG 3.62Å; F26-F35 HydrophobicContact CZ-CG 3.62Å; F26-L36 WeakPolarHBondContact CA-O 3.47Å; F26-K37 HydrophobicContact CD2-CB 4.12Å; F26-K37 HydrophobicContact CD2-CG 4.3Å; F26-Y42 AromaticContact CE2-CD1 3.69Å; F26-Y42 HydrophobicContact CE2-CD1 3.69Å; F26-Y42 HydrophobicContact CE2-CE1 4.14Å; F26-Y168 HydrophobicContact CB-CD1 4.2Å; F26-I175 HydrophobicContact CB-CB 4.25Å; F26-I175 HydrophobicContact CB-CG2 4.27Å; F26-I175 HydrophobicContact CD1-CB 3.91Å; F26-I175 WeakPolarHBondContact CD1-O 3.43Å; F26-I175 HydrophobicContact CD2-CB 3.75Å; F26-I175 HydrophobicContact CD2-CD1 4.34Å; F26-I175 HydrophobicContact CD2-CG2 3.82Å; F26-I175 HydrophobicContact CE1-CB 4.17Å; F26-I175 HydrophobicContact CE2-CB 4Å; F26-I175 HydrophobicContact CE2-CD1 3.77Å; F26-I175 HydrophobicContact CE2-CG1 4.42Å; F26-I175 HydrophobicContact CE2-CG2 4.34Å; F26-I175 HydrophobicContact CG-CB 3.68Å; F26-I175 HydrophobicContact CG-CG2 4.02Å; F26-I175 HydrophobicContact CZ-CB 4.2Å; F26-I175 HydrophobicContact CZ-CD1 3.88Å; F26-I175 HydrophobicContact CZ-CG1 4.42Å; F26-M176 HydrophobicContact CD1-CG 4.14Å; F26-M176 HydrophobicContact CE1-CG 3.38Å; F26-M176 HydrophobicContact CE1-SD 3.86Å; F26-M176 HydrophobicContact CZ-CG 4Å; F26-M176 HydrophobicContact CZ-SD 4.01Å; F26-T210 HydrophobicContact CE1-CG2 4.35Å |
| 27 | S | 97.5 | Very high | 83.9 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 170.7 | -172.5 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | F35 L36 | S27-F35 WeakPolarHBondContact O-CA 3.47Å; S27-L36 PolarHBondContact N-O 3.16Å; S27-L36 PolarHBondContact O-N 3.24Å |
| 28 | I | 98.3 | Very high | 86.6 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.9 | 173.9 | -64.7 | 173.9 | 0 | 0 | 0 | 108.9 | Y30 F35 T210 Y230 P258 | I28-Y30 HydrophobicContact CB-CD2 4.38Å; I28-Y30 HydrophobicContact CB-CE2 3.92Å; I28-Y30 HydrophobicContact CG2-CD1 3.9Å; I28-Y30 HydrophobicContact CG2-CD2 3.89Å; I28-Y30 HydrophobicContact CG2-CE1 3.75Å; I28-Y30 HydrophobicContact CG2-CE2 3.73Å; I28-Y30 HydrophobicContact CG2-CG 3.97Å; I28-Y30 PolarHBondContact O-N 3.05Å; I28-F35 HydrophobicContact CD1-CE1 4.11Å; I28-F35 HydrophobicContact CG1-CD1 3.78Å; I28-F35 HydrophobicContact CG1-CE1 3.66Å; I28-T210 HydrophobicContact CD1-CG2 3.93Å; I28-T210 HydrophobicContact CG1-CG2 4.18Å; I28-Y230 HydrophobicContact CD1-CD1 4.07Å; I28-Y230 HydrophobicContact CD1-CD2 3.61Å; I28-Y230 HydrophobicContact CD1-CE2 4.22Å; I28-Y230 HydrophobicContact CD1-CG 3.55Å; I28-P258 HydrophobicContact CG2-CG 4.49Å |
| 29 | D | 97.9 | Very high | 89 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 95.1 | 167.4 | 177.9 | -2.2 | 0 | 0 | 0 | 109.2 | N31 N32 N33 Q34 L36 | D29-N31 PolarHBondContact O-N 3.34Å; D29-N31 PolarHBondContact OD1-N 3Å; D29-N32 PolarHBondContact O-N 2.86Å; D29-N32 PolarHBondContact OD1-N 3.21Å; D29-N32 VanDerWaalsContact OD1-N 3.08Å; D29-N32 WeakPolarHBondContact OD2-CB 3.26Å; D29-N32 PolarHBondContact OD2-ND2 2.81Å; D29-N33 WeakPolarHBondContact O-CA 3.46Å; D29-N33 PolarHBondContact O-N 3.19Å; D29-Q34 HydrophobicContact CB-CG 3.95Å; D29-Q34 PolarHBondContact N-O 3.26Å; D29-Q34 PolarHBondContact O-N 3.43Å; D29-Q34 PolarHBondContact OD2-NE2 3.39Å; D29-L36 HydrophobicContact CB-CD1 3.88Å; D29-L36 HydrophobicContact CB-CD2 4.29Å; D29-L36 HydrophobicContact CB-CG 3.81Å |
| 30 | Y | 97.5 | Very high | 91.4 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.6 | 179.4 | -69.2 | -81 | 0 | 0 | 0 | 113 | I28 Y230 K256 | I28-Y30 HydrophobicContact CB-CD2 4.38Å; I28-Y30 HydrophobicContact CB-CE2 3.92Å; I28-Y30 HydrophobicContact CG2-CD1 3.9Å; I28-Y30 HydrophobicContact CG2-CD2 3.89Å; I28-Y30 HydrophobicContact CG2-CE1 3.75Å; I28-Y30 HydrophobicContact CG2-CE2 3.73Å; I28-Y30 HydrophobicContact CG2-CG 3.97Å; I28-Y30 PolarHBondContact O-N 3.05Å; Y30-Y230 HydrophobicContact CE1-CD2 4.3Å; Y30-Y230 HydrophobicContact CE1-CE2 4.21Å; Y30-K256 HydrophobicContact CD1-CB 3.9Å; Y30-K256 HydrophobicContact CG-CB 4.44Å; Y30-K256 WeakPolarHBondContact O-CB 3.18Å; Y30-K256 WeakPolarHBondContact O-CD 3.26Å |
| 31 | N | 97.2 | Very high | 93.5 | Very high | 125 Ų | 125 | 70.2 Ų | 70.2 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -38.2 | -178.6 | -70.8 | -29.4 | 0 | 0 | 0 | 111.2 | D29 | D29-N31 PolarHBondContact O-N 3.34Å; D29-N31 PolarHBondContact OD1-N 3Å |
| 32 | N | 97.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5 | 179.6 | -59.7 | -61.2 | 0 | 0 | 0 | 114.1 | D29 Q34 | D29-N32 PolarHBondContact O-N 2.86Å; D29-N32 PolarHBondContact OD1-N 3.21Å; D29-N32 VanDerWaalsContact OD1-N 3.08Å; D29-N32 WeakPolarHBondContact OD2-CB 3.26Å; D29-N32 PolarHBondContact OD2-ND2 2.81Å; N32-Q34 HydrophobicContact CB-CG 3.99Å; N32-Q34 PolarHBondContact O-N 3.34Å |
| 33 | N | 98.2 | Very high | 96.9 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 46.4 | 179.3 | -62.5 | -61.6 | 0 | 0 | 0 | 113.5 | D29 R251 K256 G257 P258 | D29-N33 WeakPolarHBondContact O-CA 3.46Å; D29-N33 PolarHBondContact O-N 3.19Å; N33-R251 PolarHBondContact OD1-NH1 2.98Å; N33-K256 WeakPolarHBondContact OD1-CA 2.92Å; N33-G257 WeakPolarHBondContact CB-O 3.36Å; N33-G257 PolarHBondContact OD1-N 2.82Å; N33-G257 PolarHBondContact OD1-O 2.9Å; N33-P258 VanDerWaalsContact O-CA 3.3Å; N33-P258 WeakPolarHBondContact O-CA 3.49Å |
| 34 | Q | 98.3 | Very high | 97.5 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.6 | -176.1 | 64.2 | -170.2 | 0.3 | 0 | 0 | 111.5 | D29 N32 L36 | D29-Q34 HydrophobicContact CB-CG 3.95Å; D29-Q34 PolarHBondContact N-O 3.26Å; D29-Q34 PolarHBondContact O-N 3.43Å; D29-Q34 PolarHBondContact OD2-NE2 3.39Å; N32-Q34 HydrophobicContact CB-CG 3.99Å; N32-Q34 PolarHBondContact O-N 3.34Å; Q34-L36 HydrophobicContact CG-CD2 4.37Å |
| 35 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 151.4 | 163.9 | -63.3 | -75 | 0 | 0 | 0 | 109.7 | F26 S27 I28 Y42 Y44 M176 T210 P258 V260 | F26-F35 AromaticContact CE1-CD1 3.64Å; F26-F35 HydrophobicContact CE1-CD1 3.64Å; F26-F35 HydrophobicContact CE1-CE1 4.09Å; F26-F35 HydrophobicContact CE1-CG 4.28Å; F26-F35 HydrophobicContact CE2-CB 4Å; F26-F35 HydrophobicContact CE2-CD1 4.48Å; F26-F35 HydrophobicContact CE2-CG 4.36Å; F26-F35 HydrophobicContact CZ-CB 3.75Å; F26-F35 AromaticContact CZ-CD1 3.46Å; F26-F35 HydrophobicContact CZ-CD1 3.46Å; F26-F35 VanDerWaalsContact CZ-CD1 3.46Å; F26-F35 HydrophobicContact CZ-CD2 4.4Å; F26-F35 HydrophobicContact CZ-CE1 4.12Å; F26-F35 AromaticContact CZ-CG 3.62Å; F26-F35 HydrophobicContact CZ-CG 3.62Å; S27-F35 WeakPolarHBondContact O-CA 3.47Å; I28-F35 HydrophobicContact CD1-CE1 4.11Å; I28-F35 HydrophobicContact CG1-CD1 3.78Å; I28-F35 HydrophobicContact CG1-CE1 3.66Å; F35-Y42 WeakPolarHBondContact CB-O 3.34Å; F35-Y42 PolarHBondContact O-N 3.1Å; F35-Y44 HydrophobicContact CD2-CD1 4.34Å; F35-Y44 HydrophobicContact CD2-CE1 4Å; F35-Y44 HydrophobicContact CE2-CD1 4.3Å; F35-Y44 AromaticContact CE2-CE1 3.53Å; F35-Y44 HydrophobicContact CE2-CE1 3.53Å; F35-Y44 HydrophobicContact CZ-CE1 4.1Å; F35-M176 HydrophobicContact CE1-CE 3.91Å; F35-M176 HydrophobicContact CE1-SD 3.86Å; F35-M176 HydrophobicContact CZ-CE 3.77Å; F35-M176 HydrophobicContact CZ-SD 3.81Å; F35-T210 HydrophobicContact CE1-CG2 4.49Å; F35-P258 HydrophobicContact CD1-CG 3.84Å; F35-P258 HydrophobicContact CD2-CB 3.83Å; F35-P258 HydrophobicContact CD2-CG 3.63Å; F35-P258 HydrophobicContact CE1-CG 3.58Å; F35-P258 HydrophobicContact CE2-CB 3.65Å; F35-P258 HydrophobicContact CE2-CG 3.35Å; F35-P258 HydrophobicContact CG-CB 4.43Å; F35-P258 HydrophobicContact CG-CG 3.87Å; F35-P258 HydrophobicContact CZ-CB 4.13Å; F35-P258 HydrophobicContact CZ-CG 3.32Å; F35-V260 HydrophobicContact CE2-CG2 3.69Å; F35-V260 HydrophobicContact CZ-CG2 3.72Å |
| 36 | L | 98.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.4 | 166.8 | -59.8 | 179 | 0 | 0 | 0 | 109.2 | F26 S27 D29 Q34 M40 P41 | F26-L36 WeakPolarHBondContact CA-O 3.47Å; S27-L36 PolarHBondContact N-O 3.16Å; S27-L36 PolarHBondContact O-N 3.24Å; D29-L36 HydrophobicContact CB-CD1 3.88Å; D29-L36 HydrophobicContact CB-CD2 4.29Å; D29-L36 HydrophobicContact CB-CG 3.81Å; Q34-L36 HydrophobicContact CG-CD2 4.37Å; L36-M40 CarbonylContact C-O 3.59Å; L36-M40 VanDerWaalsContact CA-O 3.28Å; L36-M40 WeakPolarHBondContact CA-O 3.45Å; L36-P41 HydrophobicContact CD2-CG 4.47Å |
| 37 | K | 97.8 | Very high | 97.9 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116 | 169.9 | -170.5 | -175.8 | -175.4 | -141.5 | 0 | 107.2 | S25 F26 G39 M40 Y42 Y168 | S25-K37 WeakPolarHBondContact O-CA 3.5Å; F26-K37 HydrophobicContact CD2-CB 4.12Å; F26-K37 HydrophobicContact CD2-CG 4.3Å; K37-G39 VanDerWaalsContact C-N 3.25Å; K37-G39 PolarHBondContact O-N 3.23Å; K37-M40 PolarHBondContact N-O 3.18Å; K37-M40 PolarHBondContact O-N 3.27Å; K37-Y42 HydrophobicContact CB-CD1 4.46Å; K37-Y42 HydrophobicContact CB-CD2 3.98Å; K37-Y42 HydrophobicContact CB-CG 3.76Å; K37-Y42 HydrophobicContact CD-CD2 3.65Å; K37-Y42 HydrophobicContact CD-CE2 3.71Å; K37-Y42 HydrophobicContact CD-CG 4.1Å; K37-Y42 HydrophobicContact CG-CD2 4.48Å; K37-Y168 HydrophobicContact CD-CE2 4.43Å; K37-Y168 VanDerWaalsContact CE-CZ 3.42Å; K37-Y168 WeakPolarHBondContact CE-OH 3.1Å; K37-Y168 HydrophobicContact CG-CE1 4.2Å; K37-Y168 HydrophobicContact CG-CE2 4.37Å |
| 38 | D | 96.6 | Very high | 98 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.5 | -172.6 | -52.5 | -41.3 | 0 | 0 | 0 | 112.8 | Q22 R24 S25 M40 Y168 | Q22-D38 PolarHBondContact NE2-O 3.08Å; Q22-D38 VanDerWaalsContact NE2-O 3.08Å; R24-D38 VanDerWaalsContact CA-OD1 3.26Å; R24-D38 WeakPolarHBondContact CA-OD1 3.28Å; S25-D38 PolarHBondContact N-OD1 3.44Å; S25-D38 PolarHBondContact O-N 2.81Å; D38-M40 PolarHBondContact O-N 3.09Å; D38-Y168 VanDerWaalsContact OD1-CE1 3.26Å; D38-Y168 WeakPolarHBondContact OD1-CE1 3.32Å; D38-Y168 PolarHBondContact OD1-OH 2.89Å; D38-Y168 PolarHBondContact OD2-OH 2.78Å |
| 39 | G | 95.6 | Very high | 98 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K37 | K37-G39 VanDerWaalsContact C-N 3.25Å; K37-G39 PolarHBondContact O-N 3.23Å |
| 40 | M | 97.3 | Very high | 98 | Very high | 124 Ų | 124 | 42 Ų | 42 | 61% | 0.611 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.3 | -178.7 | -61.6 | -57.8 | -66.5 | 0 | 0 | 111.8 | L36 K37 D38 Y42 | L36-M40 CarbonylContact C-O 3.59Å; L36-M40 VanDerWaalsContact CA-O 3.28Å; L36-M40 WeakPolarHBondContact CA-O 3.45Å; K37-M40 PolarHBondContact N-O 3.18Å; K37-M40 PolarHBondContact O-N 3.27Å; D38-M40 PolarHBondContact O-N 3.09Å; M40-Y42 PolarHBondContact O-N 3.3Å |
| 41 | P | 97.8 | Very high | 98 | Very high | 84 Ų | 84 | 36.5 Ų | 36.5 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 125.8 | 172.7 | -28.7 | 36.1 | 0 | 0 | 0 | 111.8 | L36 | L36-P41 HydrophobicContact CD2-CG 4.47Å |
| 42 | Y | 98.1 | Very high | 98.1 | Very high | 35 Ų | 35 | 30.7 Ų | 30.7 | 14% | 0.137 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.2 | -178.9 | -175.3 | -99.4 | 0 | 0 | 0 | 110.5 | F26 F35 K37 M40 Y44 N72 S111 I175 | F26-Y42 AromaticContact CE2-CD1 3.69Å; F26-Y42 HydrophobicContact CE2-CD1 3.69Å; F26-Y42 HydrophobicContact CE2-CE1 4.14Å; F35-Y42 WeakPolarHBondContact CB-O 3.34Å; F35-Y42 PolarHBondContact O-N 3.1Å; K37-Y42 HydrophobicContact CB-CD1 4.46Å; K37-Y42 HydrophobicContact CB-CD2 3.98Å; K37-Y42 HydrophobicContact CB-CG 3.76Å; K37-Y42 HydrophobicContact CD-CD2 3.65Å; K37-Y42 HydrophobicContact CD-CE2 3.71Å; K37-Y42 HydrophobicContact CD-CG 4.1Å; K37-Y42 HydrophobicContact CG-CD2 4.48Å; M40-Y42 PolarHBondContact O-N 3.3Å; Y42-Y44 HydrophobicContact CE1-CD1 4.22Å; Y42-N72 PolarHBondContact OH-O 3.14Å; Y42-S111 PolarHBondContact OH-OG 2.87Å; Y42-S111 VanDerWaalsContact OH-OG 3.06Å; Y42-I175 HydrophobicContact CE1-CD1 3.98Å |
| 43 | R | 98 | Very high | 98.1 | Very high | 41 Ų | 41 | 26 Ų | 26 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | trans | -135.8 | 127.3 | 176.2 | -174.6 | -178.9 | -176.3 | 170.9 | 15.2 | 108.2 | N72 M291 W292 A296 | R43-N72 PolarHBondContact O-ND2 3.39Å; R43-M291 PolarHBondContact NH2-O 3.11Å; R43-W292 VanDerWaalsContact CD-CZ3 3.48Å; R43-W292 HydrophobicContact CG-CZ3 4.24Å; R43-W292 VanDerWaalsContact CZ-O 3.26Å; R43-W292 VanDerWaalsContact NH1-CE3 3.32Å; R43-W292 PolarHBondContact NH1-O 3.09Å; R43-W292 VanDerWaalsContact NH2-C 3.28Å; R43-W292 PolarHBondContact NH2-O 3.43Å; R43-A296 VanDerWaalsContact CZ-O 3.24Å; R43-A296 PolarHBondContact NE-O 3.47Å; R43-A296 PolarHBondContact NH2-O 3.5Å | ||
| 44 | Y | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | trans | -101.1 | 142.5 | 179.5 | 60.6 | -98.4 | 0 | 0 | 0 | 112.7 | F35 Y42 A46 N72 I113 M176 V260 S297 F298 | F35-Y44 HydrophobicContact CD2-CD1 4.34Å; F35-Y44 HydrophobicContact CD2-CE1 4Å; F35-Y44 HydrophobicContact CE2-CD1 4.3Å; F35-Y44 AromaticContact CE2-CE1 3.53Å; F35-Y44 HydrophobicContact CE2-CE1 3.53Å; F35-Y44 HydrophobicContact CZ-CE1 4.1Å; Y42-Y44 HydrophobicContact CE1-CD1 4.22Å; Y44-A46 HydrophobicContact CD2-CB 3.86Å; Y44-A46 HydrophobicContact CE2-CB 4.44Å; Y44-N72 VanDerWaalsContact CA-OD1 3.24Å; Y44-N72 WeakPolarHBondContact CA-OD1 3.12Å; Y44-N72 WeakPolarHBondContact CB-OD1 3.42Å; Y44-I113 HydrophobicContact CD1-CD1 4.34Å; Y44-I113 HydrophobicContact CD2-CD1 3.72Å; Y44-I113 HydrophobicContact CE1-CD1 4.11Å; Y44-I113 HydrophobicContact CE2-CD1 3.47Å; Y44-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y44-I113 HydrophobicContact CG-CD1 4.14Å; Y44-M176 HydrophobicContact CE1-SD 3.75Å; Y44-V260 WeakPolarHBondContact OH-CG1 3.32Å; Y44-S297 VanDerWaalsContact CZ-CB 3.47Å; Y44-S297 PolarHBondContact N-OG 3.22Å; Y44-S297 WeakPolarHBondContact O-CA 3.33Å; Y44-S297 WeakPolarHBondContact O-CB 3.47Å; Y44-F298 PolarHBondContact O-N 3.21Å | ||
| 45 | I | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 102.1 | 158.7 | -57.1 | 177.4 | 0 | 0 | 0 | 104.5 | L71 N72 W292 F298 I347 T351 | I45-L71 HydrophobicContact CG2-CG 4.29Å; I45-L71 WeakPolarHBondContact O-CA 3.27Å; I45-L71 WeakPolarHBondContact O-CB 3.41Å; I45-N72 PolarHBondContact N-OD1 3.47Å; I45-N72 PolarHBondContact O-N 3.12Å; I45-N72 PolarHBondContact O-OD1 3.19Å; I45-W292 HydrophobicContact CD1-CE3 4.08Å; I45-W292 HydrophobicContact CD1-CZ3 3.72Å; I45-W292 HydrophobicContact CG1-CE3 4.49Å; I45-W292 HydrophobicContact CG1-CZ3 4.03Å; I45-F298 HydrophobicContact CD1-CZ 4.16Å; I45-F298 HydrophobicContact CG1-CE1 4.2Å; I45-F298 HydrophobicContact CG1-CE2 4.5Å; I45-F298 HydrophobicContact CG1-CZ 3.97Å; I45-F298 HydrophobicContact CG2-CD2 4.36Å; I45-F298 HydrophobicContact CG2-CE2 3.66Å; I45-F298 HydrophobicContact CG2-CZ 3.92Å; I45-I347 HydrophobicContact CD1-CG1 4.08Å; I45-I347 HydrophobicContact CD1-CG2 4.1Å; I45-I347 HydrophobicContact CG2-CD1 3.89Å; I45-I347 HydrophobicContact CG2-CG1 4.19Å; I45-T351 HydrophobicContact CD1-CG2 4.12Å |
| 46 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 163.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y44 L71 A73 I113 F298 T299 I300 | Y44-A46 HydrophobicContact CD2-CB 3.86Å; Y44-A46 HydrophobicContact CE2-CB 4.44Å; A46-L71 WeakPolarHBondContact O-CD2 3.42Å; A46-A73 VanDerWaalsContact CA-O 3.25Å; A46-A73 WeakPolarHBondContact CA-O 3.33Å; A46-A73 HydrophobicContact CB-CB 3.79Å; A46-I113 HydrophobicContact CB-CD1 3.95Å; A46-F298 PolarHBondContact N-O 3.35Å; A46-T299 HydrophobicContact CB-CG2 3.86Å; A46-T299 WeakPolarHBondContact CB-OG1 3.26Å; A46-T299 CarbonylContact O-C 3.57Å; A46-T299 WeakPolarHBondContact O-CA 3.36Å; A46-I300 PolarHBondContact O-N 3.33Å |
| 47 | G | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L71 A73 I74 Q75 | G47-L71 VanDerWaalsContact CA-CD2 3.48Å; G47-L71 VanDerWaalsContact N-CD2 3.27Å; G47-A73 PolarHBondContact N-O 2.94Å; G47-I74 CarbonylContact O-C 3.6Å; G47-I74 VanDerWaalsContact O-CA 3.27Å; G47-I74 WeakPolarHBondContact O-CA 3.44Å; G47-Q75 PolarHBondContact O-N 2.9Å |
| 48 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q75 T299 I300 Y301 V302 F303 H304 | A48-Q75 CarbonylContact C-O 3.51Å; A48-Q75 VanDerWaalsContact CA-O 3.25Å; A48-Q75 WeakPolarHBondContact CA-O 3.32Å; A48-Q75 HydrophobicContact CB-CB 4.12Å; A48-T299 HydrophobicContact CB-CG2 4.16Å; A48-I300 PolarHBondContact N-O 2.9Å; A48-Y301 HydrophobicContact CB-CD2 3.46Å; A48-Y301 VanDerWaalsContact CB-CD2 3.46Å; A48-Y301 HydrophobicContact CB-CE2 4.07Å; A48-Y301 HydrophobicContact CB-CG 4.27Å; A48-V302 HydrophobicContact CB-CB 4.43Å; A48-V302 HydrophobicContact CB-CG1 4.11Å; A48-F303 PolarHBondContact O-N 3.13Å; A48-H304 PolarHBondContact O-N 2.81Å |
| 49 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 110.7 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 108 | Y51 I54 R62 V66 Q75 T76 F101 H304 | V49-Y51 PolarHBondContact O-N 3.5Å; V49-I54 HydrophobicContact CG1-CD1 3.43Å; V49-I54 VanDerWaalsContact CG1-CD1 3.43Å; V49-R62 HydrophobicContact CG1-CB 4.46Å; V49-V66 HydrophobicContact CG2-CG2 3.69Å; V49-Q75 PolarHBondContact N-O 3.02Å; V49-T76 WeakPolarHBondContact O-CB 3.49Å; V49-T76 PolarHBondContact O-OG1 3.27Å; V49-F101 HydrophobicContact CB-CZ 4.25Å; V49-F101 HydrophobicContact CG1-CE2 4.29Å; V49-F101 HydrophobicContact CG1-CZ 4Å; V49-H304 HydrophobicContact CG2-CB 4.48Å |
| 50 | H | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | trans | -87.9 | 96.8 | -176.9 | -64.8 | 174.5 | 0 | 0 | 0 | 110.1 | F52 R53 I54 Y77 Y301 | H50-F52 HydrophobicContact CB-CD1 4.16Å; H50-F52 HydrophobicContact CB-CD2 4.42Å; H50-F52 HydrophobicContact CB-CE1 3.68Å; H50-F52 HydrophobicContact CB-CE2 3.98Å; H50-F52 HydrophobicContact CB-CZ 3.59Å; H50-F52 AromaticContact CG-CE1 3.92Å; H50-F52 AromaticContact CG-CZ 3.59Å; H50-F52 AromaticContact ND1-CZ 3.69Å; H50-F52 PolarHBondContact O-N 3.29Å; H50-F52 VanDerWaalsContact O-N 3.08Å; H50-R53 HydrophobicContact CB-CB 4.32Å; H50-R53 HydrophobicContact CB-CG 4.22Å; H50-R53 PolarHBondContact ND1-NH1 2.91Å; H50-R53 PolarHBondContact O-N 3.3Å; H50-I54 WeakPolarHBondContact O-CD1 3.37Å; H50-Y77 AromaticContact CE1-CD2 3.76Å; H50-Y77 AromaticContact NE2-CD2 3.43Å; H50-Y77 WeakPolarHBondContact NE2-CD2 3.41Å; H50-Y77 AromaticContact NE2-CE2 3.8Å; H50-Y301 AromaticContact CE1-CE2 3.86Å; H50-Y301 AromaticContact CE1-CZ 3.83Å; H50-Y301 PolarHBondContact CE1-OH 2.94Å; H50-Y301 AromaticContact NE2-CE2 3.54Å | ||
| 51 | Y | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -54.1 | -33.1 | -178 | 72.2 | -91 | 0 | 0 | 0 | 112.8 | V49 R53 I54 W59 T76 Y77 H83 M95 L98 F101 | V49-Y51 PolarHBondContact O-N 3.5Å; Y51-R53 PolarHBondContact O-N 3.22Å; Y51-I54 PolarHBondContact O-N 3Å; Y51-I54 VanDerWaalsContact O-N 3.08Å; Y51-W59 HydrophobicContact CD2-CH2 4.37Å; Y51-W59 AromaticContact CD2-CZ2 3.82Å; Y51-W59 HydrophobicContact CD2-CZ2 3.82Å; Y51-W59 HydrophobicContact CG-CZ2 4.42Å; Y51-W59 PolarHBondContact O-NE1 3.24Å; Y51-T76 HydrophobicContact CD1-CG2 4.37Å; Y51-T76 WeakPolarHBondContact CD1-OG1 3.32Å; Y51-Y77 VanDerWaalsContact CE1-O 3.3Å; Y51-Y77 WeakPolarHBondContact CE1-O 3.29Å; Y51-H83 AromaticContact CZ-NE2 3.98Å; Y51-H83 PolarHBondContact OH-CE1 2.83Å; Y51-H83 PolarHBondContact OH-NE2 2.86Å; Y51-M95 WeakPolarHBondContact CD2-O 3.38Å; Y51-M95 WeakPolarHBondContact CE2-O 3.4Å; Y51-L98 HydrophobicContact CD1-CD1 4.2Å; Y51-L98 HydrophobicContact CE1-CD1 3.68Å; Y51-F101 VanDerWaalsContact CB-CD2 3.46Å; Y51-F101 HydrophobicContact CD1-CD1 4.08Å; Y51-F101 HydrophobicContact CD1-CE1 4.41Å; Y51-F101 HydrophobicContact CD1-CG 4.44Å; Y51-F101 HydrophobicContact CG-CB 4.36Å; Y51-F101 HydrophobicContact CG-CD1 4.21Å; Y51-F101 HydrophobicContact CG-CG 4.11Å |
| 52 | F | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.013 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -72.5 | -1.3 | 178.6 | 56.8 | -93 | 0 | 0 | 0 | 114.8 | H50 P79 L82 M95 I120 W124 | H50-F52 HydrophobicContact CB-CD1 4.16Å; H50-F52 HydrophobicContact CB-CD2 4.42Å; H50-F52 HydrophobicContact CB-CE1 3.68Å; H50-F52 HydrophobicContact CB-CE2 3.98Å; H50-F52 HydrophobicContact CB-CZ 3.59Å; H50-F52 AromaticContact CG-CE1 3.92Å; H50-F52 AromaticContact CG-CZ 3.59Å; H50-F52 AromaticContact ND1-CZ 3.69Å; H50-F52 PolarHBondContact O-N 3.29Å; H50-F52 VanDerWaalsContact O-N 3.08Å; F52-P79 HydrophobicContact CB-CG 3.89Å; F52-P79 VanDerWaalsContact CD1-CD 3.44Å; F52-P79 HydrophobicContact CD1-CG 3.64Å; F52-P79 HydrophobicContact CD2-CG 4.01Å; F52-P79 HydrophobicContact CE1-CG 4.11Å; F52-P79 HydrophobicContact CE2-CG 4.43Å; F52-P79 HydrophobicContact CG-CG 3.58Å; F52-P79 HydrophobicContact CZ-CG 4.47Å; F52-L82 HydrophobicContact CB-CD2 3.52Å; F52-M95 VanDerWaalsContact C-CE 3.5Å; F52-M95 WeakPolarHBondContact O-CE 3.44Å; F52-I120 HydrophobicContact CZ-CD1 4.07Å; F52-W124 HydrophobicContact CD2-CD2 4.08Å; F52-W124 AromaticContact CD2-CE3 3.89Å; F52-W124 HydrophobicContact CD2-CE3 3.89Å; F52-W124 AromaticContact CD2-CH2 3.68Å; F52-W124 HydrophobicContact CD2-CH2 3.68Å; F52-W124 AromaticContact CD2-CZ2 3.9Å; F52-W124 HydrophobicContact CD2-CZ2 3.9Å; F52-W124 AromaticContact CD2-CZ3 3.7Å; F52-W124 HydrophobicContact CD2-CZ3 3.7Å; F52-W124 AromaticContact CE2-CD2 3.94Å; F52-W124 HydrophobicContact CE2-CD2 3.94Å; F52-W124 AromaticContact CE2-CE3 3.8Å; F52-W124 HydrophobicContact CE2-CE3 3.8Å; F52-W124 HydrophobicContact CE2-CG 4.45Å; F52-W124 HydrophobicContact CE2-CH2 4.42Å; F52-W124 HydrophobicContact CE2-CZ3 4.06Å |
| 53 | R | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -109.6 | 3.7 | 170.6 | -69.6 | -174.2 | 167.6 | 138.8 | -1.2 | 113.1 | H50 Y51 A122 W124 G305 S307 N308 | H50-R53 HydrophobicContact CB-CB 4.32Å; H50-R53 HydrophobicContact CB-CG 4.22Å; H50-R53 PolarHBondContact ND1-NH1 2.91Å; H50-R53 PolarHBondContact O-N 3.3Å; Y51-R53 PolarHBondContact O-N 3.22Å; R53-A122 PolarHBondContact NH1-O 3.47Å; R53-A122 VanDerWaalsContact NH1-O 3.17Å; R53-A122 PolarHBondContact NH2-O 3.26Å; R53-W124 HydrophobicContact CG-CE3 4.39Å; R53-W124 HydrophobicContact CG-CZ3 3.81Å; R53-G305 WeakPolarHBondContact CB-O 3.41Å; R53-G305 WeakPolarHBondContact CD-O 3.03Å; R53-S307 WeakPolarHBondContact CA-O 3.38Å; R53-S307 WeakPolarHBondContact CB-O 3.28Å; R53-S307 PolarHBondContact O-N 2.94Å; R53-N308 PolarHBondContact NE-OD1 2.72Å; R53-N308 PolarHBondContact NH2-OD1 2.71Å |
| 54 | I | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -128.1 | 125 | -172.1 | -54.4 | 158 | 0 | 0 | 0 | 107.5 | V49 H50 Y51 E56 W59 R62 H304 | V49-I54 HydrophobicContact CG1-CD1 3.43Å; V49-I54 VanDerWaalsContact CG1-CD1 3.43Å; H50-I54 WeakPolarHBondContact O-CD1 3.37Å; Y51-I54 PolarHBondContact O-N 3Å; Y51-I54 VanDerWaalsContact O-N 3.08Å; I54-E56 PolarHBondContact O-N 2.86Å; I54-W59 PolarHBondContact O-NE1 2.88Å; I54-R62 HydrophobicContact CD1-CG 4.14Å; I54-R62 HydrophobicContact CG2-CG 3.9Å; I54-H304 VanDerWaalsContact CD1-CD2 3.5Å; I54-H304 WeakPolarHBondContact CD1-CD2 3.35Å |
| 55 | P | 98 | Very high | 98.4 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | trans | -54.4 | 137.3 | 171.1 | -24.4 | 34.2 | 0 | 0 | 0 | 110.8 | I57 Y58 F309 P584 | P55-I57 HydrophobicContact CB-CG1 4Å; P55-I57 PolarHBondContact O-N 2.97Å; P55-Y58 HydrophobicContact CB-CD2 4.12Å; P55-Y58 HydrophobicContact CG-CD2 4.13Å; P55-Y58 PolarHBondContact O-N 3.08Å; P55-F309 HydrophobicContact CG-CE2 4.14Å; P55-F309 HydrophobicContact CG-CZ 4.11Å; P55-P584 HydrophobicContact CG-CB 3.67Å; P55-P584 HydrophobicContact CG-CG 3.64Å | ||
| 56 | E | 97.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 18.2 Ų | 18.2 | 29% | 0.294 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -50.1 | -37.7 | -175.7 | 172.5 | 171.1 | -154.8 | 0 | 0 | 113 | I54 Y58 W59 N94 N97 | I54-E56 PolarHBondContact O-N 2.86Å; E56-Y58 PolarHBondContact O-N 3.01Å; E56-W59 HydrophobicContact CB-CD2 4.24Å; E56-W59 HydrophobicContact CB-CE3 4.11Å; E56-W59 HydrophobicContact CB-CH2 4Å; E56-W59 HydrophobicContact CB-CZ2 4.1Å; E56-W59 HydrophobicContact CB-CZ3 3.98Å; E56-W59 HydrophobicContact CG-CD2 4.3Å; E56-W59 HydrophobicContact CG-CE3 3.7Å; E56-W59 HydrophobicContact CG-CH2 4.04Å; E56-W59 HydrophobicContact CG-CZ3 3.55Å; E56-W59 PolarHBondContact O-N 3.04Å; E56-W59 VanDerWaalsContact O-N 3.1Å; E56-N94 VanDerWaalsContact OE2-CA 3.3Å; E56-N94 WeakPolarHBondContact OE2-CA 3.41Å; E56-N97 PolarHBondContact OE1-ND2 2.91Å |
| 57 | I | 97.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 20.3 Ų | 20.3 | 45% | 0.451 | 9% | 0.091 | S | C | . | . | G | 310 helix | trans | -57.1 | -18.9 | 176.9 | 63 | 155.4 | 0 | 0 | 0 | 114.4 | P55 K585 N586 | P55-I57 HydrophobicContact CB-CG1 4Å; P55-I57 PolarHBondContact O-N 2.97Å; I57-K585 HydrophobicContact CD1-CG 3.92Å; I57-N586 HydrophobicContact CD1-CB 3.84Å; I57-N586 HydrophobicContact CG1-CB 4.42Å |
| 58 | Y | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -106.9 | -4.6 | -178 | -67.1 | -46.1 | 0 | 0 | 0 | 114.2 | P55 E56 Y60 D61 R62 N363 D548 P584 K585 | P55-Y58 HydrophobicContact CB-CD2 4.12Å; P55-Y58 HydrophobicContact CG-CD2 4.13Å; P55-Y58 PolarHBondContact O-N 3.08Å; E56-Y58 PolarHBondContact O-N 3.01Å; Y58-Y60 PolarHBondContact O-N 2.9Å; Y58-D61 WeakPolarHBondContact O-CB 3.2Å; Y58-D61 PolarHBondContact O-N 3.27Å; Y58-D61 VanDerWaalsContact O-N 3.14Å; Y58-R62 WeakPolarHBondContact O-CG 3.36Å; Y58-R62 PolarHBondContact O-N 3.12Å; Y58-N363 VanDerWaalsContact CD1-ND2 3.29Å; Y58-N363 WeakPolarHBondContact CD1-ND2 3.4Å; Y58-N363 WeakPolarHBondContact CE1-ND2 3.47Å; Y58-D548 PolarHBondContact OH-OD1 2.85Å; Y58-D548 PolarHBondContact OH-OD2 2.83Å; Y58-D548 VanDerWaalsContact OH-OD2 3.06Å; Y58-P584 HydrophobicContact CE2-CB 3.87Å; Y58-K585 WeakPolarHBondContact OH-CD 3.34Å; Y58-K585 WeakPolarHBondContact OH-CE 3.49Å; Y58-K585 VanDerWaalsContact OH-CG 3.29Å; Y58-K585 WeakPolarHBondContact OH-CG 3.23Å |
| 59 | W | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | -179.4 | -68.7 | -17.2 | 0 | 0 | 0 | 113.1 | Y51 I54 E56 D61 R62 L63 N94 N97 E100 F101 L104 | Y51-W59 HydrophobicContact CD2-CH2 4.37Å; Y51-W59 AromaticContact CD2-CZ2 3.82Å; Y51-W59 HydrophobicContact CD2-CZ2 3.82Å; Y51-W59 HydrophobicContact CG-CZ2 4.42Å; Y51-W59 PolarHBondContact O-NE1 3.24Å; I54-W59 PolarHBondContact O-NE1 2.88Å; E56-W59 HydrophobicContact CB-CD2 4.24Å; E56-W59 HydrophobicContact CB-CE3 4.11Å; E56-W59 HydrophobicContact CB-CH2 4Å; E56-W59 HydrophobicContact CB-CZ2 4.1Å; E56-W59 HydrophobicContact CB-CZ3 3.98Å; E56-W59 HydrophobicContact CG-CD2 4.3Å; E56-W59 HydrophobicContact CG-CE3 3.7Å; E56-W59 HydrophobicContact CG-CH2 4.04Å; E56-W59 HydrophobicContact CG-CZ3 3.55Å; E56-W59 PolarHBondContact O-N 3.04Å; E56-W59 VanDerWaalsContact O-N 3.1Å; W59-D61 VanDerWaalsContact C-N 3.3Å; W59-D61 PolarHBondContact O-N 2.89Å; W59-R62 PolarHBondContact O-N 2.81Å; W59-L63 WeakPolarHBondContact O-CB 3.06Å; W59-L63 VanDerWaalsContact O-CG 3.27Å; W59-L63 WeakPolarHBondContact O-CG 3.37Å; W59-L63 PolarHBondContact O-N 2.76Å; W59-N94 WeakPolarHBondContact CH2-O 3.36Å; W59-N97 HydrophobicContact CH2-CB 3.88Å; W59-N97 VanDerWaalsContact CH2-O 3.32Å; W59-N97 WeakPolarHBondContact CH2-O 3.31Å; W59-N97 HydrophobicContact CZ3-CB 4.09Å; W59-N97 VanDerWaalsContact CZ3-O 3.32Å; W59-N97 WeakPolarHBondContact CZ3-O 3.26Å; W59-E100 HydrophobicContact CE3-CG 4.34Å; W59-E100 HydrophobicContact CZ3-CB 4.09Å; W59-E100 HydrophobicContact CZ3-CG 4.2Å; W59-F101 HydrophobicContact CB-CD2 3.94Å; W59-F101 HydrophobicContact CB-CE2 4.37Å; W59-F101 HydrophobicContact CD2-CB 4.29Å; W59-F101 AromaticContact CD2-CD2 3.86Å; W59-F101 HydrophobicContact CD2-CD2 3.86Å; W59-F101 HydrophobicContact CE3-CB 4.03Å; W59-F101 HydrophobicContact CE3-CD2 4.35Å; W59-F101 AromaticContact CG-CD2 3.68Å; W59-F101 HydrophobicContact CG-CD2 3.68Å; W59-F101 HydrophobicContact CG-CE2 4.25Å; W59-F101 HydrophobicContact CZ3-CB 4.2Å; W59-L104 HydrophobicContact CB-CD1 3.83Å; W59-L104 HydrophobicContact CE3-CD1 4.41Å |
| 60 | Y | 98.3 | Very high | 98.2 | Very high | 96 Ų | 96 | 21.4 Ų | 21.4 | 38% | 0.376 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.6 | -176.6 | -103.8 | 0 | 0 | 0 | 111.9 | Y58 K64 L104 L108 | Y58-Y60 PolarHBondContact O-N 2.9Å; Y60-K64 HydrophobicContact CE1-CD 4.23Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 2.71Å; Y60-L104 HydrophobicContact CD2-CD2 4.1Å; Y60-L108 HydrophobicContact CD2-CD1 4Å; Y60-L108 HydrophobicContact CD2-CG 4.43Å; Y60-L108 HydrophobicContact CE2-CD1 3.97Å; Y60-L108 HydrophobicContact CE2-CD2 3.78Å; Y60-L108 HydrophobicContact CE2-CG 3.97Å |
| 61 | D | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 21.3 Ų | 21.3 | 14% | 0.139 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -51.6 | 174.6 | 170.6 | 74.9 | 0 | 0 | 0 | 111.5 | Y58 W59 L63 K64 K65 | Y58-D61 WeakPolarHBondContact O-CB 3.2Å; Y58-D61 PolarHBondContact O-N 3.27Å; Y58-D61 VanDerWaalsContact O-N 3.14Å; W59-D61 VanDerWaalsContact C-N 3.3Å; W59-D61 PolarHBondContact O-N 2.89Å; D61-L63 PolarHBondContact O-N 2.82Å; D61-K64 PolarHBondContact O-N 3.44Å; D61-K65 WeakPolarHBondContact O-CG 3.29Å; D61-K65 PolarHBondContact O-N 2.89Å; D61-K65 WeakPolarHBondContact OD1-CE 3.17Å; D61-K65 IonicContact OD1-NZ 2.81Å; D61-K65 PolarHBondContact OD1-NZ 2.72Å; D61-K65 WeakPolarHBondContact OD2-CE 3.48Å; D61-K65 IonicContact OD2-NZ 3.75Å; D61-K65 PolarHBondContact OD2-NZ 3.38Å |
| 62 | R | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | -178.6 | -58.6 | -46.4 | -174.4 | -110.2 | -0 | 111.6 | V49 I54 Y58 W59 K64 K65 V66 H304 A333 G334 N363 | V49-R62 HydrophobicContact CG1-CB 4.46Å; I54-R62 HydrophobicContact CD1-CG 4.14Å; I54-R62 HydrophobicContact CG2-CG 3.9Å; Y58-R62 WeakPolarHBondContact O-CG 3.36Å; Y58-R62 PolarHBondContact O-N 3.12Å; W59-R62 PolarHBondContact O-N 2.81Å; R62-K64 VanDerWaalsContact C-N 3.35Å; R62-K64 PolarHBondContact O-N 3.27Å; R62-K65 PolarHBondContact O-N 3.44Å; R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 3.15Å; R62-H304 WeakPolarHBondContact CD-NE2 3.22Å; R62-H304 PolarHBondContact NE-NE2 3.41Å; R62-A333 PolarHBondContact NH2-O 2.9Å; R62-G334 VanDerWaalsContact CZ-CA 3.46Å; R62-N363 PolarHBondContact NH1-ND2 3.21Å; R62-N363 VanDerWaalsContact NH1-ND2 3.12Å |
| 63 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 178.9 | -67 | 173.9 | 0 | 0 | 0 | 112 | W59 D61 K65 V66 R67 I74 F101 L104 A105 L108 L110 | W59-L63 WeakPolarHBondContact O-CB 3.06Å; W59-L63 VanDerWaalsContact O-CG 3.27Å; W59-L63 WeakPolarHBondContact O-CG 3.37Å; W59-L63 PolarHBondContact O-N 2.76Å; D61-L63 PolarHBondContact O-N 2.82Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.16Å; L63-V66 WeakPolarHBondContact O-CB 3.3Å; L63-V66 PolarHBondContact O-N 2.81Å; L63-R67 PolarHBondContact O-N 2.88Å; L63-I74 HydrophobicContact CD2-CD1 3.66Å; L63-I74 HydrophobicContact CD2-CG2 3.9Å; L63-F101 HydrophobicContact CD1-CD2 4.17Å; L63-F101 HydrophobicContact CD1-CE2 3.93Å; L63-F101 HydrophobicContact CD1-CZ 4.46Å; L63-F101 HydrophobicContact CD2-CE2 3.95Å; L63-F101 HydrophobicContact CD2-CZ 3.83Å; L63-F101 HydrophobicContact CG-CE2 4Å; L63-F101 HydrophobicContact CG-CZ 4.39Å; L63-L104 HydrophobicContact CD1-CB 3.68Å; L63-A105 HydrophobicContact CD1-CB 4.26Å; L63-L108 HydrophobicContact CB-CD1 3.34Å; L63-L110 HydrophobicContact CB-CD1 4.24Å; L63-L110 HydrophobicContact CD2-CD1 4.24Å |
| 64 | K | 98.2 | Very high | 98.3 | Very high | 90 Ų | 90 | 23.1 Ų | 23.1 | 39% | 0.391 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 173.7 | -173.6 | -179.6 | 179.5 | -179.6 | 0 | 111.2 | Y60 D61 R62 R67 A68 L108 P360 | Y60-K64 HydrophobicContact CE1-CD 4.23Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 2.71Å; D61-K64 PolarHBondContact O-N 3.44Å; R62-K64 VanDerWaalsContact C-N 3.35Å; R62-K64 PolarHBondContact O-N 3.27Å; K64-R67 PolarHBondContact O-N 3.02Å; K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.09Å; K64-L108 HydrophobicContact CB-CD1 4.47Å; K64-P360 HydrophobicContact CD-CG 4.25Å; K64-P360 HydrophobicContact CG-CG 4Å |
| 65 | K | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | 174.4 | -73 | 170.1 | 178.1 | 158 | 0 | 112.5 | D61 R62 L63 A68 A69 L330 G334 Y340 P360 P361 | D61-K65 WeakPolarHBondContact O-CG 3.29Å; D61-K65 PolarHBondContact O-N 2.89Å; D61-K65 WeakPolarHBondContact OD1-CE 3.17Å; D61-K65 IonicContact OD1-NZ 2.81Å; D61-K65 PolarHBondContact OD1-NZ 2.72Å; D61-K65 WeakPolarHBondContact OD2-CE 3.48Å; D61-K65 IonicContact OD2-NZ 3.75Å; D61-K65 PolarHBondContact OD2-NZ 3.38Å; R62-K65 PolarHBondContact O-N 3.44Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.16Å; K65-A68 CarbonylContact O-C 3.52Å; K65-A68 PolarHBondContact O-N 3Å; K65-A69 PolarHBondContact O-N 3.38Å; K65-L330 HydrophobicContact CB-CD1 3.73Å; K65-L330 HydrophobicContact CB-CD2 4.21Å; K65-L330 HydrophobicContact CD-CD1 4.32Å; K65-L330 HydrophobicContact CD-CD2 4.05Å; K65-G334 VanDerWaalsContact CD-O 3.28Å; K65-G334 WeakPolarHBondContact CD-O 3.49Å; K65-G334 WeakPolarHBondContact CE-O 3.45Å; K65-G334 PolarHBondContact NZ-O 2.95Å; K65-Y340 HydrophobicContact CB-CE2 4.39Å; K65-Y340 WeakPolarHBondContact O-CE2 3.36Å; K65-Y340 PolarHBondContact O-OH 3.45Å; K65-P360 HydrophobicContact CG-CB 3.89Å; K65-P360 HydrophobicContact CG-CG 3.72Å; K65-P361 WeakPolarHBondContact CE-O 3.28Å; K65-P361 PolarHBondContact NZ-O 3.05Å |
| 66 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 170.3 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | V49 R62 L63 A68 A69 L71 I74 L110 F303 | V49-V66 HydrophobicContact CG2-CG2 3.69Å; R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 3.15Å; L63-V66 WeakPolarHBondContact O-CB 3.3Å; L63-V66 PolarHBondContact O-N 2.81Å; V66-A68 VanDerWaalsContact C-N 3.28Å; V66-A68 PolarHBondContact O-N 3.01Å; V66-A69 WeakPolarHBondContact O-CB 3.24Å; V66-A69 PolarHBondContact O-N 3.35Å; V66-L71 HydrophobicContact CG1-CB 3.64Å; V66-L71 HydrophobicContact CG1-CD2 3.86Å; V66-L71 HydrophobicContact CG1-CG 4.26Å; V66-I74 HydrophobicContact CG1-CG2 3.91Å; V66-L110 HydrophobicContact CG1-CD1 4.47Å; V66-L110 HydrophobicContact CG1-CD2 4.27Å; V66-F303 HydrophobicContact CG2-CD1 3.65Å; V66-F303 HydrophobicContact CG2-CE1 3.94Å |
| 67 | R | 97.5 | Very high | 98.4 | Very high | 44 Ų | 44 | 20 Ų | 20 | 17% | 0.166 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 177.6 | -174.1 | 57.9 | 173 | 154.2 | -2.8 | 111.7 | L63 K64 A69 G70 L71 L110 Y357 | L63-R67 PolarHBondContact O-N 2.88Å; K64-R67 PolarHBondContact O-N 3.02Å; R67-A69 PolarHBondContact O-N 2.86Å; R67-G70 PolarHBondContact O-N 2.81Å; R67-L71 PolarHBondContact NH1-O 3.3Å; R67-L110 HydrophobicContact CB-CD1 4.48Å; R67-L110 HydrophobicContact CB-CD2 4.32Å; R67-Y357 HydrophobicContact CG-CD1 4Å; R67-Y357 HydrophobicContact CG-CD2 4.03Å; R67-Y357 HydrophobicContact CG-CE1 3.82Å; R67-Y357 HydrophobicContact CG-CE2 3.89Å; R67-Y357 HydrophobicContact CG-CG 4.11Å; R67-Y357 VanDerWaalsContact NE-CE2 3.28Å; R67-Y357 VanDerWaalsContact NE-CZ 3.26Å; R67-Y357 PolarHBondContact NE-OH 3.01Å; R67-Y357 PolarHBondContact NH2-OH 3.5Å; R67-Y357 VanDerWaalsContact NH2-OH 3.1Å |
| 68 | A | 98 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -70.6 | -10.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K64 K65 V66 G70 Y340 R344 N355 P360 | K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.09Å; K65-A68 CarbonylContact O-C 3.52Å; K65-A68 PolarHBondContact O-N 3Å; V66-A68 VanDerWaalsContact C-N 3.28Å; V66-A68 PolarHBondContact O-N 3.01Å; A68-G70 VanDerWaalsContact C-N 3.29Å; A68-Y340 PolarHBondContact O-OH 3.48Å; A68-R344 WeakPolarHBondContact O-CD 3.05Å; A68-R344 VanDerWaalsContact O-CZ 3.29Å; A68-R344 PolarHBondContact O-NH1 3.31Å; A68-N355 PolarHBondContact O-ND2 2.76Å; A68-P360 HydrophobicContact CB-CG 4.04Å |
| 69 | A | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K65 V66 R67 L71 F303 Y340 R344 I347 | K65-A69 PolarHBondContact O-N 3.38Å; V66-A69 WeakPolarHBondContact O-CB 3.24Å; V66-A69 PolarHBondContact O-N 3.35Å; R67-A69 PolarHBondContact O-N 2.86Å; A69-L71 HydrophobicContact CB-CD1 3.39Å; A69-F303 HydrophobicContact CB-CE1 4.36Å; A69-F303 HydrophobicContact CB-CE2 4.17Å; A69-F303 HydrophobicContact CB-CZ 3.49Å; A69-F303 VanDerWaalsContact CB-CZ 3.49Å; A69-Y340 HydrophobicContact CB-CD2 4.27Å; A69-Y340 HydrophobicContact CB-CE1 4.27Å; A69-Y340 HydrophobicContact CB-CE2 3.6Å; A69-Y340 PolarHBondContact N-OH 2.99Å; A69-Y340 VanDerWaalsContact N-OH 3.09Å; A69-R344 WeakPolarHBondContact O-CA 3.12Å; A69-I347 WeakPolarHBondContact O-CD1 3.46Å |
| 70 | G | 97.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 15.4 Ų | 15.4 | 22% | 0.216 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 1.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R67 A68 N355 | R67-G70 PolarHBondContact O-N 2.81Å; A68-G70 VanDerWaalsContact C-N 3.29Å; G70-N355 WeakPolarHBondContact CA-ND2 3.35Å; G70-N355 PolarHBondContact N-ND2 3.3Å; G70-N355 VanDerWaalsContact N-ND2 3.12Å |
| 71 | L | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -68.3 | 147.1 | 175.5 | -72.3 | 77.9 | 0 | 0 | 0 | 110.3 | I45 A46 G47 V66 R67 A69 F303 I347 | I45-L71 HydrophobicContact CG2-CG 4.29Å; I45-L71 WeakPolarHBondContact O-CA 3.27Å; I45-L71 WeakPolarHBondContact O-CB 3.41Å; A46-L71 WeakPolarHBondContact O-CD2 3.42Å; G47-L71 VanDerWaalsContact CA-CD2 3.48Å; G47-L71 VanDerWaalsContact N-CD2 3.27Å; V66-L71 HydrophobicContact CG1-CB 3.64Å; V66-L71 HydrophobicContact CG1-CD2 3.86Å; V66-L71 HydrophobicContact CG1-CG 4.26Å; R67-L71 PolarHBondContact NH1-O 3.3Å; A69-L71 HydrophobicContact CB-CD1 3.39Å; L71-F303 HydrophobicContact CD1-CD2 4.37Å; L71-F303 HydrophobicContact CD1-CE2 3.75Å; L71-F303 HydrophobicContact CD1-CZ 4.04Å; L71-F303 HydrophobicContact CD2-CD2 3.89Å; L71-F303 HydrophobicContact CD2-CE2 4.1Å; L71-F303 HydrophobicContact CD2-CG 4.3Å; L71-I347 HydrophobicContact CD1-CD1 3.54Å; L71-I347 HydrophobicContact CG-CD1 4.14Å | ||
| 72 | N | 97.9 | Very high | 98.4 | Very high | 41 Ų | 41 | 11.5 Ų | 11.5 | 22% | 0.219 | 6% | 0.058 | C | C | . | . | trans | -112.7 | -2.2 | 179.1 | 65.1 | 0.7 | 0 | 0 | 0 | 113.2 | Y42 R43 Y44 I45 S111 | Y42-N72 PolarHBondContact OH-O 3.14Å; R43-N72 PolarHBondContact O-ND2 3.39Å; Y44-N72 VanDerWaalsContact CA-OD1 3.24Å; Y44-N72 WeakPolarHBondContact CA-OD1 3.12Å; Y44-N72 WeakPolarHBondContact CB-OD1 3.42Å; I45-N72 PolarHBondContact N-OD1 3.47Å; I45-N72 PolarHBondContact O-N 3.12Å; I45-N72 PolarHBondContact O-OD1 3.19Å; N72-S111 PolarHBondContact O-N 3.24Å | ||
| 73 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A46 G47 S111 | A46-A73 VanDerWaalsContact CA-O 3.25Å; A46-A73 WeakPolarHBondContact CA-O 3.33Å; A46-A73 HydrophobicContact CB-CB 3.79Å; G47-A73 PolarHBondContact N-O 2.94Å; A73-S111 CarbonylContact C-O 3.59Å; A73-S111 WeakPolarHBondContact CA-O 3.3Å; A73-S111 WeakPolarHBondContact CB-O 3.45Å |
| 74 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 161.9 | 167.5 | 66.2 | 170 | 0 | 0 | 0 | 110.2 | G47 L63 V66 F101 A105 L110 S111 V112 I113 | G47-I74 CarbonylContact O-C 3.6Å; G47-I74 VanDerWaalsContact O-CA 3.27Å; G47-I74 WeakPolarHBondContact O-CA 3.44Å; L63-I74 HydrophobicContact CD2-CD1 3.66Å; L63-I74 HydrophobicContact CD2-CG2 3.9Å; V66-I74 HydrophobicContact CG1-CG2 3.91Å; I74-F101 HydrophobicContact CD1-CE1 3.6Å; I74-F101 HydrophobicContact CD1-CZ 3.85Å; I74-A105 HydrophobicContact CD1-CB 3.72Å; I74-A105 HydrophobicContact CG1-CB 4.47Å; I74-L110 HydrophobicContact CG2-CB 4.39Å; I74-L110 HydrophobicContact CG2-CD1 3.96Å; I74-S111 PolarHBondContact N-O 3.38Å; I74-V112 HydrophobicContact CD1-CG2 3.94Å; I74-V112 HydrophobicContact CG1-CB 4.41Å; I74-V112 HydrophobicContact CG1-CG2 3.72Å; I74-I113 PolarHBondContact O-N 3.49Å |
| 75 | Q | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.5 | 168.5 | -177.3 | 171.3 | -88.2 | 0 | 0 | 109.6 | G47 A48 V49 I113 R115 S262 T299 | G47-Q75 PolarHBondContact O-N 2.9Å; A48-Q75 CarbonylContact C-O 3.51Å; A48-Q75 VanDerWaalsContact CA-O 3.25Å; A48-Q75 WeakPolarHBondContact CA-O 3.32Å; A48-Q75 HydrophobicContact CB-CB 4.12Å; V49-Q75 PolarHBondContact N-O 3.02Å; Q75-I113 VanDerWaalsContact CA-O 3.28Å; Q75-I113 WeakPolarHBondContact CA-O 3.33Å; Q75-I113 HydrophobicContact CB-CB 4.31Å; Q75-I113 HydrophobicContact CG-CB 4.34Å; Q75-I113 HydrophobicContact CG-CG2 4.26Å; Q75-R115 HydrophobicContact CG-CG 3.95Å; Q75-S262 PolarHBondContact NE2-O 3.45Å; Q75-S262 PolarHBondContact OE1-O 3.34Å; Q75-T299 HydrophobicContact CB-CG2 3.6Å; Q75-T299 HydrophobicContact CG-CG2 4.29Å; Q75-T299 PolarHBondContact OE1-OG1 2.96Å |
| 76 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 144.6 | 171.8 | -173 | 0 | 0 | 0 | 0 | 112.1 | V49 Y51 F101 I113 L114 R115 | V49-T76 WeakPolarHBondContact O-CB 3.49Å; V49-T76 PolarHBondContact O-OG1 3.27Å; Y51-T76 HydrophobicContact CD1-CG2 4.37Å; Y51-T76 WeakPolarHBondContact CD1-OG1 3.32Å; T76-F101 HydrophobicContact CG2-CD1 4.37Å; T76-F101 HydrophobicContact CG2-CE1 3.98Å; T76-I113 PolarHBondContact N-O 3.43Å; T76-L114 HydrophobicContact CG2-CD1 3.78Å; T76-R115 PolarHBondContact O-N 3.48Å |
| 77 | Y | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 167.6 | 165.8 | -69.4 | -68.6 | 0 | 0 | 0 | 112.9 | H50 Y51 R115 I120 A122 N181 E263 Y301 | H50-Y77 AromaticContact CE1-CD2 3.76Å; H50-Y77 AromaticContact NE2-CD2 3.43Å; H50-Y77 WeakPolarHBondContact NE2-CD2 3.41Å; H50-Y77 AromaticContact NE2-CE2 3.8Å; Y51-Y77 VanDerWaalsContact CE1-O 3.3Å; Y51-Y77 WeakPolarHBondContact CE1-O 3.29Å; Y77-R115 CarbonylContact C-O 3.55Å; Y77-R115 WeakPolarHBondContact CA-O 3.39Å; Y77-R115 HydrophobicContact CD1-CB 3.4Å; Y77-R115 HydrophobicContact CD1-CG 4.43Å; Y77-R115 WeakPolarHBondContact CD1-O 3.42Å; Y77-R115 HydrophobicContact CE1-CB 3.8Å; Y77-R115 HydrophobicContact CE1-CG 4.49Å; Y77-R115 HydrophobicContact CG-CB 4.22Å; Y77-R115 PolarHBondContact OH-NH1 2.61Å; Y77-R115 VanDerWaalsContact OH-NH1 3.13Å; Y77-R115 PolarHBondContact OH-NH2 3.25Å; Y77-I120 HydrophobicContact CD1-CB 3.48Å; Y77-I120 VanDerWaalsContact CD1-CB 3.48Å; Y77-I120 HydrophobicContact CD1-CG2 3.57Å; Y77-I120 HydrophobicContact CD2-CB 4.36Å; Y77-I120 HydrophobicContact CE1-CB 3.9Å; Y77-I120 HydrophobicContact CE1-CG2 4.31Å; Y77-I120 HydrophobicContact CG-CB 3.72Å; Y77-I120 HydrophobicContact CG-CD1 4.23Å; Y77-I120 HydrophobicContact CG-CG2 3.98Å; Y77-I120 VanDerWaalsContact CZ-O 3.3Å; Y77-I120 PolarHBondContact OH-O 2.97Å; Y77-A122 HydrophobicContact CD2-CB 3.96Å; Y77-A122 HydrophobicContact CE2-CB 3.94Å; Y77-N181 HydrophobicContact CE1-CB 4.33Å; Y77-N181 PolarHBondContact OH-OD1 3.25Å; Y77-E263 PolarHBondContact OH-OE1 2.99Å; Y77-Y301 HydrophobicContact CD2-CE2 4.49Å; Y77-Y301 AromaticContact CE2-CE2 3.64Å; Y77-Y301 HydrophobicContact CE2-CE2 3.64Å; Y77-Y301 AromaticContact CE2-CZ 3.91Å; Y77-Y301 WeakPolarHBondContact CE2-OH 3.32Å |
| 78 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -123.7 | 103.2 | 165.8 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | W80 H83 L98 L114 R115 P116 W155 L159 | V78-W80 PolarHBondContact O-N 2.93Å; V78-H83 WeakPolarHBondContact CG1-NE2 3.31Å; V78-L98 HydrophobicContact CG1-CD2 4.17Å; V78-L98 HydrophobicContact CG2-CD1 4.39Å; V78-L98 HydrophobicContact CG2-CD2 3.75Å; V78-L114 HydrophobicContact CG2-CD1 3.89Å; V78-L114 HydrophobicContact CG2-CG 4.41Å; V78-R115 PolarHBondContact N-O 3.31Å; V78-R115 VanDerWaalsContact N-O 3.13Å; V78-P116 HydrophobicContact CB-CB 4.44Å; V78-P116 HydrophobicContact CG2-CB 4.18Å; V78-W155 HydrophobicContact CG1-CH2 4.43Å; V78-W155 HydrophobicContact CG1-CZ2 3.9Å; V78-L159 HydrophobicContact CG1-CD1 3.87Å; V78-L159 HydrophobicContact CG1-CD2 4.11Å | ||
| 79 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -75.8 | 106 | -178.1 | 28.8 | -33.6 | 0 | 0 | 0 | 111.3 | F52 N81 L82 H83 I120 | F52-P79 HydrophobicContact CB-CG 3.89Å; F52-P79 VanDerWaalsContact CD1-CD 3.44Å; F52-P79 HydrophobicContact CD1-CG 3.64Å; F52-P79 HydrophobicContact CD2-CG 4.01Å; F52-P79 HydrophobicContact CE1-CG 4.11Å; F52-P79 HydrophobicContact CE2-CG 4.43Å; F52-P79 HydrophobicContact CG-CG 3.58Å; F52-P79 HydrophobicContact CZ-CG 4.47Å; P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 PolarHBondContact O-N 3.05Å; P79-L82 HydrophobicContact CB-CB 4.22Å; P79-L82 HydrophobicContact CG-CB 3.86Å; P79-L82 HydrophobicContact CG-CD2 3.98Å; P79-L82 PolarHBondContact O-N 3.28Å; P79-L82 VanDerWaalsContact O-N 3.14Å; P79-H83 PolarHBondContact O-CD2 3.04Å; P79-H83 PolarHBondContact O-N 3.4Å; P79-I120 HydrophobicContact CB-CD1 3.81Å | ||
| 80 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -41.5 | -179 | 178.4 | 13.5 | 0 | 0 | 0 | 112.6 | V78 L82 H83 E84 P118 G128 L129 P130 W132 L133 F148 R151 V152 W155 | V78-W80 PolarHBondContact O-N 2.93Å; W80-L82 VanDerWaalsContact C-N 3.27Å; W80-L82 PolarHBondContact O-N 3.19Å; W80-H83 CarbonylContact O-C 3.57Å; W80-H83 PolarHBondContact O-N 2.93Å; W80-E84 PolarHBondContact NE1-OE2 3.06Å; W80-E84 PolarHBondContact O-N 3.37Å; W80-P118 HydrophobicContact CE3-CB 3.81Å; W80-P118 HydrophobicContact CZ3-CB 4.02Å; W80-G128 CarbonylContact C-O 3.56Å; W80-G128 WeakPolarHBondContact CA-O 3.4Å; W80-G128 WeakPolarHBondContact CB-O 3.46Å; W80-G128 PolarHBondContact N-O 3.37Å; W80-G128 VanDerWaalsContact N-O 3.16Å; W80-L129 HydrophobicContact CE3-CD2 3.74Å; W80-L129 HydrophobicContact CZ3-CD2 4.02Å; W80-P130 HydrophobicContact CB-CG 4.39Å; W80-P130 HydrophobicContact CD2-CG 3.62Å; W80-P130 HydrophobicContact CE3-CG 4.34Å; W80-P130 HydrophobicContact CG-CG 3.61Å; W80-P130 HydrophobicContact CZ2-CG 4.31Å; W80-W132 AromaticContact CZ2-CH2 3.97Å; W80-W132 HydrophobicContact CZ2-CH2 3.97Å; W80-W132 HydrophobicContact CZ2-CZ2 4.45Å; W80-L133 HydrophobicContact CE3-CD1 4.45Å; W80-L133 HydrophobicContact CH2-CD1 4.02Å; W80-L133 HydrophobicContact CH2-CD2 4.23Å; W80-L133 HydrophobicContact CZ3-CD1 3.91Å; W80-F148 HydrophobicContact CZ3-CE2 4.21Å; W80-R151 HydrophobicContact CH2-CB 3.65Å; W80-R151 HydrophobicContact CZ2-CB 3.98Å; W80-R151 WeakPolarHBondContact CZ2-O 3.33Å; W80-V152 HydrophobicContact CH2-CG2 4.1Å; W80-V152 HydrophobicContact CZ3-CG2 3.88Å; W80-W155 HydrophobicContact CB-CD2 4.37Å; W80-W155 HydrophobicContact CB-CZ2 4.31Å; W80-W155 AromaticContact CD1-CD1 3.99Å; W80-W155 AromaticContact CD1-CD2 3.35Å; W80-W155 AromaticContact CD1-CE2 3.74Å; W80-W155 AromaticContact CD1-CE3 3.66Å; W80-W155 AromaticContact CD1-CG 3.56Å; W80-W155 HydrophobicContact CD2-CB 4.07Å; W80-W155 AromaticContact CD2-CD1 3.69Å; W80-W155 HydrophobicContact CD2-CD2 4.31Å; W80-W155 AromaticContact CD2-CG 3.74Å; W80-W155 HydrophobicContact CD2-CG 3.74Å; W80-W155 VanDerWaalsContact CE2-CB 3.49Å; W80-W155 AromaticContact CE2-CG 3.63Å; W80-W155 HydrophobicContact CE3-CG 4.46Å; W80-W155 HydrophobicContact CG-CB 4.47Å; W80-W155 AromaticContact CG-CD1 3.71Å; W80-W155 AromaticContact CG-CD2 3.8Å; W80-W155 HydrophobicContact CG-CD2 3.8Å; W80-W155 AromaticContact CG-CE2 3.83Å; W80-W155 HydrophobicContact CG-CE3 4.5Å; W80-W155 AromaticContact CG-CG 3.74Å; W80-W155 HydrophobicContact CG-CG 3.74Å; W80-W155 AromaticContact CG-NE1 3.75Å; W80-W155 HydrophobicContact CH2-CB 4.33Å; W80-W155 HydrophobicContact CZ2-CB 3.65Å; W80-W155 HydrophobicContact CZ2-CG 4.26Å; W80-W155 AromaticContact NE1-CD2 3.69Å; W80-W155 AromaticContact NE1-CE3 3.94Å; W80-W155 AromaticContact NE1-CG 3.52Å |
| 81 | N | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -31.8 | 179.5 | 68.4 | -17.8 | 0 | 0 | 0 | 114.6 | P79 W124 E125 G128 P130 | P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 PolarHBondContact O-N 3.05Å; N81-W124 PolarHBondContact ND2-NE1 3.45Å; N81-W124 PolarHBondContact OD1-NE1 2.81Å; N81-E125 PolarHBondContact ND2-O 2.85Å; N81-G128 WeakPolarHBondContact CB-O 3.4Å; N81-G128 PolarHBondContact N-O 3.48Å; N81-P130 HydrophobicContact CB-CB 4.49Å; N81-P130 HydrophobicContact CB-CG 4.5Å |
| 82 | L | 98.3 | Very high | 98.2 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.3 | -36.5 | 176.5 | -179.3 | 64.7 | 0 | 0 | 0 | 111.1 | F52 P79 W80 A96 | F52-L82 HydrophobicContact CB-CD2 3.52Å; P79-L82 HydrophobicContact CB-CB 4.22Å; P79-L82 HydrophobicContact CG-CB 3.86Å; P79-L82 HydrophobicContact CG-CD2 3.98Å; P79-L82 PolarHBondContact O-N 3.28Å; P79-L82 VanDerWaalsContact O-N 3.14Å; W80-L82 VanDerWaalsContact C-N 3.27Å; W80-L82 PolarHBondContact O-N 3.19Å; L82-A96 HydrophobicContact CD2-CB 4.16Å; L82-A96 HydrophobicContact CG-CB 4.06Å |
| 83 | H | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -85.4 | -20.5 | -178.6 | -69.3 | -74.7 | 0 | 0 | 0 | 114.2 | Y51 V78 P79 W80 F90 Y91 F92 A96 W155 | Y51-H83 AromaticContact CZ-NE2 3.98Å; Y51-H83 PolarHBondContact OH-CE1 2.83Å; Y51-H83 PolarHBondContact OH-NE2 2.86Å; V78-H83 WeakPolarHBondContact CG1-NE2 3.31Å; P79-H83 PolarHBondContact O-CD2 3.04Å; P79-H83 PolarHBondContact O-N 3.4Å; W80-H83 CarbonylContact O-C 3.57Å; W80-H83 PolarHBondContact O-N 2.93Å; H83-F90 CarbonylContact O-C 3.59Å; H83-F90 WeakPolarHBondContact O-CA 3.47Å; H83-Y91 WeakPolarHBondContact CA-O 3.2Å; H83-Y91 PolarHBondContact ND1-O 2.87Å; H83-Y91 PolarHBondContact O-N 2.9Å; H83-F92 HydrophobicContact CB-CE1 4.41Å; H83-F92 HydrophobicContact CB-CZ 4.23Å; H83-F92 AromaticContact CE1-CD1 3.58Å; H83-F92 AromaticContact CE1-CE1 3.61Å; H83-F92 AromaticContact CG-CE1 3.92Å; H83-F92 AromaticContact ND1-CD1 3.3Å; H83-F92 VanDerWaalsContact ND1-CD1 3.3Å; H83-F92 WeakPolarHBondContact ND1-CD1 3.27Å; H83-F92 AromaticContact ND1-CE1 3.26Å; H83-F92 VanDerWaalsContact ND1-CE1 3.26Å; H83-F92 WeakPolarHBondContact ND1-CE1 3.44Å; H83-F92 AromaticContact ND1-CG 3.94Å; H83-F92 AromaticContact ND1-CZ 3.89Å; H83-A96 PolarHBondContact CE1-O 3.15Å; H83-W155 HydrophobicContact CB-CH2 3.24Å; H83-W155 HydrophobicContact CB-CZ2 4.17Å; H83-W155 HydrophobicContact CB-CZ3 3.57Å; H83-W155 AromaticContact CD2-CH2 3.77Å; H83-W155 AromaticContact CG-CH2 3.61Å |
| 84 | E | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | trans | -130.3 | 70.8 | 172.8 | -166.2 | -179.9 | 176.4 | 0 | 0 | 110.5 | W80 F86 G88 F90 W132 | W80-E84 PolarHBondContact NE1-OE2 3.06Å; W80-E84 PolarHBondContact O-N 3.37Å; E84-F86 VanDerWaalsContact CG-O 3.27Å; E84-F86 WeakPolarHBondContact CG-O 3.07Å; E84-F86 PolarHBondContact O-N 2.9Å; E84-F86 VanDerWaalsContact O-N 3.17Å; E84-G88 PolarHBondContact OE1-N 3.19Å; E84-F90 HydrophobicContact CB-CD1 3.92Å; E84-F90 HydrophobicContact CB-CE1 3.98Å; E84-F90 VanDerWaalsContact CD-CE1 3.44Å; E84-F90 HydrophobicContact CG-CD1 3.91Å; E84-F90 HydrophobicContact CG-CE1 3.73Å; E84-F90 HydrophobicContact CG-CZ 4.49Å; E84-F90 WeakPolarHBondContact OE2-CE1 3.44Å; E84-W132 HydrophobicContact CB-CZ2 4.38Å; E84-W132 HydrophobicContact CG-CZ2 3.79Å; E84-W132 PolarHBondContact O-NE1 3.39Å; E84-W132 WeakPolarHBondContact OE1-CZ2 3.48Å; E84-W132 WeakPolarHBondContact OE2-CZ2 3.37Å | ||
| 85 | P | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 26% | 0.26 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -60.3 | -28.5 | -176.8 | -25 | 35.6 | 0 | 0 | 0 | 113.6 | K89 W131 | P85-K89 VanDerWaalsContact CD-O 3.29Å; P85-K89 WeakPolarHBondContact CD-O 3.28Å; P85-W131 PolarHBondContact O-NE1 3.24Å |
| 86 | F | 97.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -135.6 | 154.5 | 174.1 | -65.5 | -85.8 | 0 | 0 | 0 | 109.8 | E84 G88 K89 W131 | E84-F86 VanDerWaalsContact CG-O 3.27Å; E84-F86 WeakPolarHBondContact CG-O 3.07Å; E84-F86 PolarHBondContact O-N 2.9Å; E84-F86 VanDerWaalsContact O-N 3.17Å; F86-G88 PolarHBondContact O-N 3.39Å; F86-K89 HydrophobicContact CB-CB 4.03Å; F86-K89 HydrophobicContact CB-CG 3.98Å; F86-K89 WeakPolarHBondContact O-CB 3.49Å; F86-K89 PolarHBondContact O-N 2.78Å; F86-W131 AromaticContact CD1-CZ2 3.77Å; F86-W131 HydrophobicContact CD1-CZ2 3.77Å; F86-W131 AromaticContact CE1-CZ2 3.79Å; F86-W131 HydrophobicContact CE1-CZ2 3.79Å |
| 87 | P | 96.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 123.9 | -176.6 | -23.3 | 31.1 | 0 | 0 | 0 | 112.5 | K89 W132 | P87-K89 PolarHBondContact O-N 3.21Å; P87-W132 HydrophobicContact CB-CD2 4.32Å; P87-W132 HydrophobicContact CB-CE3 4.44Å; P87-W132 HydrophobicContact CG-CB 4.02Å; P87-W132 HydrophobicContact CG-CD2 3.64Å; P87-W132 HydrophobicContact CG-CE3 3.96Å; P87-W132 HydrophobicContact CG-CG 3.65Å |
| 88 | G | 97 | Very high | 97.9 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 12.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E84 F86 | E84-G88 PolarHBondContact OE1-N 3.19Å; F86-G88 PolarHBondContact O-N 3.39Å |
| 89 | K | 98 | Very high | 97.8 | Very high | 143 Ų | 143 | 42.7 Ų | 42.7 | 62% | 0.622 | 23% | 0.229 | S | C | * | . | B | Isolated β-bridge | trans | -109.1 | 90.4 | 177 | -60.7 | -59.3 | -178.3 | -174.6 | 0 | 109.3 | P85 F86 P87 | P85-K89 VanDerWaalsContact CD-O 3.29Å; P85-K89 WeakPolarHBondContact CD-O 3.28Å; F86-K89 HydrophobicContact CB-CB 4.03Å; F86-K89 HydrophobicContact CB-CG 3.98Å; F86-K89 WeakPolarHBondContact O-CB 3.49Å; F86-K89 PolarHBondContact O-N 2.78Å; P87-K89 PolarHBondContact O-N 3.21Å |
| 90 | F | 98.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 31% | 0.307 | 24% | 0.244 | S | C | . | . | trans | -85.2 | 145.3 | -176.7 | -59.1 | -70.9 | 0 | 0 | 0 | 113.2 | H83 E84 F92 W155 E158 | H83-F90 CarbonylContact O-C 3.59Å; H83-F90 WeakPolarHBondContact O-CA 3.47Å; E84-F90 HydrophobicContact CB-CD1 3.92Å; E84-F90 HydrophobicContact CB-CE1 3.98Å; E84-F90 VanDerWaalsContact CD-CE1 3.44Å; E84-F90 HydrophobicContact CG-CD1 3.91Å; E84-F90 HydrophobicContact CG-CE1 3.73Å; E84-F90 HydrophobicContact CG-CZ 4.49Å; E84-F90 WeakPolarHBondContact OE2-CE1 3.44Å; F90-F92 HydrophobicContact CB-CD2 4.37Å; F90-F92 HydrophobicContact CB-CE2 4Å; F90-W155 HydrophobicContact CD1-CE3 4.26Å; F90-W155 HydrophobicContact CD1-CZ3 4.19Å; F90-W155 AromaticContact CE1-CE3 3.95Å; F90-W155 HydrophobicContact CE1-CE3 3.95Å; F90-W155 HydrophobicContact CE1-CZ3 4.34Å; F90-E158 HydrophobicContact CB-CG 4.13Å; F90-E158 HydrophobicContact CD1-CB 4.24Å; F90-E158 HydrophobicContact CD1-CG 3.76Å; F90-E158 HydrophobicContact CD2-CB 4.34Å; F90-E158 HydrophobicContact CD2-CG 3.77Å; F90-E158 HydrophobicContact CE1-CB 4Å; F90-E158 HydrophobicContact CE1-CG 4.04Å; F90-E158 HydrophobicContact CE2-CB 4.1Å; F90-E158 HydrophobicContact CE2-CG 4.05Å; F90-E158 HydrophobicContact CG-CB 4.4Å; F90-E158 HydrophobicContact CG-CG 3.61Å; F90-E158 HydrophobicContact CZ-CB 3.92Å; F90-E158 HydrophobicContact CZ-CG 4.18Å | ||
| 91 | Y | 97.7 | Very high | 97.8 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 37% | 0.365 | 24% | 0.244 | S | C | . | . | trans | -138.2 | 123.8 | -177.5 | -169 | -108.1 | 0 | 0 | 0 | 111.3 | H83 S93 N94 A96 | H83-Y91 WeakPolarHBondContact CA-O 3.2Å; H83-Y91 PolarHBondContact ND1-O 2.87Å; H83-Y91 PolarHBondContact O-N 2.9Å; Y91-S93 WeakPolarHBondContact CE1-O 3.29Å; Y91-N94 PolarHBondContact OH-ND2 3.44Å; Y91-A96 HydrophobicContact CD1-CB 3.63Å; Y91-A96 HydrophobicContact CE1-CB 4.04Å | ||
| 92 | F | 98 | Very high | 97.9 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | trans | -138.9 | 35.9 | -176.4 | -70.6 | -88.7 | 0 | 0 | 0 | 111.8 | H83 F90 A96 N97 W155 E158 L159 K162 | H83-F92 HydrophobicContact CB-CE1 4.41Å; H83-F92 HydrophobicContact CB-CZ 4.23Å; H83-F92 AromaticContact CE1-CD1 3.58Å; H83-F92 AromaticContact CE1-CE1 3.61Å; H83-F92 AromaticContact CG-CE1 3.92Å; H83-F92 AromaticContact ND1-CD1 3.3Å; H83-F92 VanDerWaalsContact ND1-CD1 3.3Å; H83-F92 WeakPolarHBondContact ND1-CD1 3.27Å; H83-F92 AromaticContact ND1-CE1 3.26Å; H83-F92 VanDerWaalsContact ND1-CE1 3.26Å; H83-F92 WeakPolarHBondContact ND1-CE1 3.44Å; H83-F92 AromaticContact ND1-CG 3.94Å; H83-F92 AromaticContact ND1-CZ 3.89Å; F90-F92 HydrophobicContact CB-CD2 4.37Å; F90-F92 HydrophobicContact CB-CE2 4Å; F92-A96 CarbonylContact C-O 3.57Å; F92-A96 WeakPolarHBondContact CA-O 3.4Å; F92-N97 WeakPolarHBondContact O-CA 3.34Å; F92-W155 HydrophobicContact CE1-CH2 4.24Å; F92-W155 HydrophobicContact CE2-CZ3 4.44Å; F92-W155 AromaticContact CZ-CH2 3.8Å; F92-W155 HydrophobicContact CZ-CH2 3.8Å; F92-W155 AromaticContact CZ-CZ3 3.76Å; F92-W155 HydrophobicContact CZ-CZ3 3.76Å; F92-E158 HydrophobicContact CE2-CG 3.86Å; F92-E158 HydrophobicContact CZ-CG 4.26Å; F92-L159 HydrophobicContact CE1-CD1 4.04Å; F92-L159 HydrophobicContact CZ-CD1 4.38Å; F92-K162 HydrophobicContact CD1-CD 3.62Å; F92-K162 HydrophobicContact CD2-CD 4Å; F92-K162 HydrophobicContact CE1-CD 3.65Å; F92-K162 HydrophobicContact CE2-CD 4Å; F92-K162 HydrophobicContact CG-CD 3.79Å; F92-K162 HydrophobicContact CZ-CD 3.83Å; F92-K162 VanDerWaalsContact CZ-CE 3.42Å | ||
| 93 | S | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 48.7 Ų | 48.7 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -121.6 | 166.7 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | Y91 M95 A96 | Y91-S93 WeakPolarHBondContact CE1-O 3.29Å; S93-M95 PolarHBondContact O-N 2.96Å; S93-A96 WeakPolarHBondContact O-CA 3.25Å; S93-A96 WeakPolarHBondContact O-CB 3.42Å; S93-A96 PolarHBondContact O-N 3.49Å |
| 94 | N | 95.4 | Very high | 97.9 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | 52.1 | -130.7 | -178.8 | -59.8 | -40.5 | 0 | 0 | 0 | 110.7 | E56 W59 Y91 A96 N97 | E56-N94 VanDerWaalsContact OE2-CA 3.3Å; E56-N94 WeakPolarHBondContact OE2-CA 3.41Å; W59-N94 WeakPolarHBondContact CH2-O 3.36Å; Y91-N94 PolarHBondContact OH-ND2 3.44Å; N94-A96 PolarHBondContact O-N 3.38Å; N94-N97 VanDerWaalsContact O-CB 3.27Å; N94-N97 WeakPolarHBondContact O-CB 3.41Å; N94-N97 PolarHBondContact O-N 3.4Å |
| 95 | M | 96.3 | Very high | 97.9 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63.8 | -9.3 | 178.3 | -67.7 | -176.7 | 59.6 | 0 | 0 | 115 | Y51 F52 S93 F309 | Y51-M95 WeakPolarHBondContact CD2-O 3.38Å; Y51-M95 WeakPolarHBondContact CE2-O 3.4Å; F52-M95 VanDerWaalsContact C-CE 3.5Å; F52-M95 WeakPolarHBondContact O-CE 3.44Å; S93-M95 PolarHBondContact O-N 2.96Å; M95-F309 HydrophobicContact CE-CD2 3.77Å; M95-F309 HydrophobicContact CE-CE2 4.09Å; M95-F309 HydrophobicContact SD-CD2 4.15Å; M95-F309 HydrophobicContact SD-CE2 4.44Å |
| 96 | A | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -98 | 4.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L82 H83 Y91 F92 S93 N94 L98 | L82-A96 HydrophobicContact CD2-CB 4.16Å; L82-A96 HydrophobicContact CG-CB 4.06Å; H83-A96 PolarHBondContact CE1-O 3.15Å; Y91-A96 HydrophobicContact CD1-CB 3.63Å; Y91-A96 HydrophobicContact CE1-CB 4.04Å; F92-A96 CarbonylContact C-O 3.57Å; F92-A96 WeakPolarHBondContact CA-O 3.4Å; S93-A96 WeakPolarHBondContact O-CA 3.25Å; S93-A96 WeakPolarHBondContact O-CB 3.42Å; S93-A96 PolarHBondContact O-N 3.49Å; N94-A96 PolarHBondContact O-N 3.38Å; A96-L98 VanDerWaalsContact C-N 3.29Å; A96-L98 PolarHBondContact O-N 3.27Å |
| 97 | N | 98.2 | Very high | 98 | Very high | 31 Ų | 31 | 53 Ų | 53 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | trans | -78.8 | 73.2 | 179.8 | -171.3 | -3.5 | 0 | 0 | 0 | 112.1 | E56 W59 F92 N94 T99 E100 F101 | E56-N97 PolarHBondContact OE1-ND2 2.91Å; W59-N97 HydrophobicContact CH2-CB 3.88Å; W59-N97 VanDerWaalsContact CH2-O 3.32Å; W59-N97 WeakPolarHBondContact CH2-O 3.31Å; W59-N97 HydrophobicContact CZ3-CB 4.09Å; W59-N97 VanDerWaalsContact CZ3-O 3.32Å; W59-N97 WeakPolarHBondContact CZ3-O 3.26Å; F92-N97 WeakPolarHBondContact O-CA 3.34Å; N94-N97 VanDerWaalsContact O-CB 3.27Å; N94-N97 WeakPolarHBondContact O-CB 3.41Å; N94-N97 PolarHBondContact O-N 3.4Å; N97-T99 PolarHBondContact O-N 3.31Å; N97-T99 PolarHBondContact OD1-OG1 3.43Å; N97-E100 HydrophobicContact CB-CB 4.41Å; N97-E100 VanDerWaalsContact ND2-CB 3.33Å; N97-E100 WeakPolarHBondContact ND2-CB 3.32Å; N97-E100 PolarHBondContact O-N 3.49Å; N97-E100 PolarHBondContact OD1-N 2.95Å; N97-E100 VanDerWaalsContact OD1-N 3.15Å; N97-F101 PolarHBondContact O-N 3.36Å | ||
| 98 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -38.7 | 179 | 173.8 | 62.6 | 0 | 0 | 0 | 112.5 | Y51 V78 A96 E100 F101 L102 L114 L159 I163 | Y51-L98 HydrophobicContact CD1-CD1 4.2Å; Y51-L98 HydrophobicContact CE1-CD1 3.68Å; V78-L98 HydrophobicContact CG1-CD2 4.17Å; V78-L98 HydrophobicContact CG2-CD1 4.39Å; V78-L98 HydrophobicContact CG2-CD2 3.75Å; A96-L98 VanDerWaalsContact C-N 3.29Å; A96-L98 PolarHBondContact O-N 3.27Å; L98-E100 PolarHBondContact O-N 3.36Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.96Å; L98-L102 HydrophobicContact CD1-CD1 4.06Å; L98-L102 HydrophobicContact CD1-CD2 4.41Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.24Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.4Å; L98-L114 HydrophobicContact CD1-CD1 4.46Å; L98-L159 HydrophobicContact CD2-CD1 4.01Å; L98-I163 HydrophobicContact CD2-CD1 4.48Å; L98-I163 HydrophobicContact CD2-CG1 4.15Å |
| 99 | T | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | -175.5 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | N97 L102 F103 K162 F166 | N97-T99 PolarHBondContact O-N 3.31Å; N97-T99 PolarHBondContact OD1-OG1 3.43Å; T99-L102 PolarHBondContact O-N 2.71Å; T99-F103 WeakPolarHBondContact O-CB 3.49Å; T99-F103 PolarHBondContact O-N 3.1Å; T99-K162 HydrophobicContact CG2-CB 3.93Å; T99-K162 WeakPolarHBondContact CG2-O 3.19Å; T99-F166 HydrophobicContact CG2-CD2 4.49Å; T99-F166 HydrophobicContact CG2-CE2 3.7Å; T99-F166 HydrophobicContact CG2-CZ 4.4Å; T99-F166 VanDerWaalsContact O-CZ 3.26Å; T99-F166 WeakPolarHBondContact O-CZ 3.41Å |
| 100 | E | 98.6 | Very high | 98 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 174.2 | 178.9 | 59.3 | -159.8 | 0 | 0 | 111.1 | W59 N97 L98 L102 F103 L104 | W59-E100 HydrophobicContact CE3-CG 4.34Å; W59-E100 HydrophobicContact CZ3-CB 4.09Å; W59-E100 HydrophobicContact CZ3-CG 4.2Å; N97-E100 HydrophobicContact CB-CB 4.41Å; N97-E100 VanDerWaalsContact ND2-CB 3.33Å; N97-E100 WeakPolarHBondContact ND2-CB 3.32Å; N97-E100 PolarHBondContact O-N 3.49Å; N97-E100 PolarHBondContact OD1-N 2.95Å; N97-E100 VanDerWaalsContact OD1-N 3.15Å; L98-E100 PolarHBondContact O-N 3.36Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.28Å; E100-F103 WeakPolarHBondContact O-CB 3.32Å; E100-F103 PolarHBondContact O-N 2.9Å; E100-L104 HydrophobicContact CG-CD1 4.32Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 3.14Å |
| 101 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.1 | -176 | -104.5 | 0 | 0 | 0 | 112.5 | V49 Y51 W59 L63 I74 T76 N97 L98 L104 A105 | V49-F101 HydrophobicContact CB-CZ 4.25Å; V49-F101 HydrophobicContact CG1-CE2 4.29Å; V49-F101 HydrophobicContact CG1-CZ 4Å; Y51-F101 VanDerWaalsContact CB-CD2 3.46Å; Y51-F101 HydrophobicContact CD1-CD1 4.08Å; Y51-F101 HydrophobicContact CD1-CE1 4.41Å; Y51-F101 HydrophobicContact CD1-CG 4.44Å; Y51-F101 HydrophobicContact CG-CB 4.36Å; Y51-F101 HydrophobicContact CG-CD1 4.21Å; Y51-F101 HydrophobicContact CG-CG 4.11Å; W59-F101 HydrophobicContact CB-CD2 3.94Å; W59-F101 HydrophobicContact CB-CE2 4.37Å; W59-F101 HydrophobicContact CD2-CB 4.29Å; W59-F101 AromaticContact CD2-CD2 3.86Å; W59-F101 HydrophobicContact CD2-CD2 3.86Å; W59-F101 HydrophobicContact CE3-CB 4.03Å; W59-F101 HydrophobicContact CE3-CD2 4.35Å; W59-F101 AromaticContact CG-CD2 3.68Å; W59-F101 HydrophobicContact CG-CD2 3.68Å; W59-F101 HydrophobicContact CG-CE2 4.25Å; W59-F101 HydrophobicContact CZ3-CB 4.2Å; L63-F101 HydrophobicContact CD1-CD2 4.17Å; L63-F101 HydrophobicContact CD1-CE2 3.93Å; L63-F101 HydrophobicContact CD1-CZ 4.46Å; L63-F101 HydrophobicContact CD2-CE2 3.95Å; L63-F101 HydrophobicContact CD2-CZ 3.83Å; L63-F101 HydrophobicContact CG-CE2 4Å; L63-F101 HydrophobicContact CG-CZ 4.39Å; I74-F101 HydrophobicContact CD1-CE1 3.6Å; I74-F101 HydrophobicContact CD1-CZ 3.85Å; T76-F101 HydrophobicContact CG2-CD1 4.37Å; T76-F101 HydrophobicContact CG2-CE1 3.98Å; N97-F101 PolarHBondContact O-N 3.36Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.96Å; F101-L104 PolarHBondContact O-N 3.05Å; F101-A105 PolarHBondContact O-N 2.94Å |
| 102 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 176 | -66.9 | 172.8 | 0 | 0 | 0 | 112.1 | L98 T99 E100 A105 N106 V112 F166 I174 | L98-L102 HydrophobicContact CD1-CD1 4.06Å; L98-L102 HydrophobicContact CD1-CD2 4.41Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.24Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.4Å; T99-L102 PolarHBondContact O-N 2.71Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.28Å; L102-A105 PolarHBondContact O-N 2.8Å; L102-N106 PolarHBondContact O-N 3.44Å; L102-V112 HydrophobicContact CD2-CB 4.36Å; L102-V112 HydrophobicContact CD2-CG1 3.78Å; L102-V112 HydrophobicContact CD2-CG2 4.04Å; L102-F166 HydrophobicContact CB-CB 4.38Å; L102-F166 HydrophobicContact CB-CD1 3.49Å; L102-F166 VanDerWaalsContact CB-CD1 3.49Å; L102-F166 HydrophobicContact CB-CD2 4.41Å; L102-F166 HydrophobicContact CB-CE1 3.77Å; L102-F166 HydrophobicContact CB-CG 3.83Å; L102-F166 HydrophobicContact CB-CZ 4.34Å; L102-F166 HydrophobicContact CD1-CB 3.94Å; L102-F166 HydrophobicContact CD1-CD1 4.38Å; L102-F166 HydrophobicContact CD1-CD2 3.98Å; L102-F166 HydrophobicContact CD1-CG 3.84Å; L102-F166 HydrophobicContact CG-CG 4.48Å; L102-I174 HydrophobicContact CD1-CD1 4.02Å; L102-I174 HydrophobicContact CD2-CD1 4.22Å; L102-I174 HydrophobicContact CD2-CG1 4.21Å |
| 103 | F | 98.7 | Very high | 98.1 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.4 | 173.2 | -101.1 | 0 | 0 | 0 | 111.6 | T99 E100 A105 N106 K107 F166 | T99-F103 WeakPolarHBondContact O-CB 3.49Å; T99-F103 PolarHBondContact O-N 3.1Å; E100-F103 WeakPolarHBondContact O-CB 3.32Å; E100-F103 PolarHBondContact O-N 2.9Å; F103-A105 PolarHBondContact O-N 3.33Å; F103-N106 WeakPolarHBondContact O-CB 3.12Å; F103-N106 PolarHBondContact O-N 2.91Å; F103-K107 WeakPolarHBondContact O-CB 3.46Å; F103-K107 PolarHBondContact O-N 2.78Å; F103-F166 HydrophobicContact CB-CE1 4.02Å; F103-F166 HydrophobicContact CB-CZ 4.43Å |
| 104 | L | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.1 | -66.2 | 173.9 | 0 | 0 | 0 | 112.3 | W59 Y60 L63 E100 F101 K107 L108 | W59-L104 HydrophobicContact CB-CD1 3.83Å; W59-L104 HydrophobicContact CE3-CD1 4.41Å; Y60-L104 HydrophobicContact CD2-CD2 4.1Å; L63-L104 HydrophobicContact CD1-CB 3.68Å; E100-L104 HydrophobicContact CG-CD1 4.32Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 3.14Å; F101-L104 PolarHBondContact O-N 3.05Å; L104-K107 PolarHBondContact O-N 3.06Å; L104-L108 PolarHBondContact O-N 3.08Å; L104-L108 VanDerWaalsContact O-N 3.11Å |
| 105 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L63 I74 F101 L102 F103 K107 L108 N109 L110 V112 | L63-A105 HydrophobicContact CD1-CB 4.26Å; I74-A105 HydrophobicContact CD1-CB 3.72Å; I74-A105 HydrophobicContact CG1-CB 4.47Å; F101-A105 PolarHBondContact O-N 2.94Å; L102-A105 PolarHBondContact O-N 2.8Å; F103-A105 PolarHBondContact O-N 3.33Å; A105-K107 PolarHBondContact O-N 3.49Å; A105-L108 CarbonylContact O-C 3.59Å; A105-L108 PolarHBondContact O-N 3.46Å; A105-N109 PolarHBondContact O-N 3.4Å; A105-L110 PolarHBondContact O-N 2.86Å; A105-V112 HydrophobicContact CB-CG2 3.83Å |
| 106 | N | 98.2 | Very high | 98.4 | Very high | 61 Ų | 61 | 28.2 Ų | 28.2 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 175.6 | -161.6 | 36.6 | 0 | 0 | 0 | 111.9 | L102 F103 L108 N109 P173 | L102-N106 PolarHBondContact O-N 3.44Å; F103-N106 WeakPolarHBondContact O-CB 3.12Å; F103-N106 PolarHBondContact O-N 2.91Å; N106-L108 PolarHBondContact O-N 3.25Å; N106-N109 WeakPolarHBondContact O-CA 3.36Å; N106-N109 PolarHBondContact O-N 3.42Å; N106-P173 HydrophobicContact CB-CB 4.09Å; N106-P173 HydrophobicContact CB-CG 3.91Å |
| 107 | K | 98 | Very high | 98.4 | Very high | 139 Ų | 139 | 28.3 Ų | 28.3 | 60% | 0.604 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -58.6 | -31.3 | 177.2 | -175.2 | 178.3 | -178.1 | 177.7 | 0 | 112.7 | F103 L104 A105 N109 | F103-K107 WeakPolarHBondContact O-CB 3.46Å; F103-K107 PolarHBondContact O-N 2.78Å; L104-K107 PolarHBondContact O-N 3.06Å; A105-K107 PolarHBondContact O-N 3.49Å; K107-N109 VanDerWaalsContact C-N 3.32Å |
| 108 | L | 97.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 8.2 | 177.4 | -71 | 167 | 0 | 0 | 0 | 113.4 | Y60 L63 K64 L104 A105 N106 L110 | Y60-L108 HydrophobicContact CD2-CD1 4Å; Y60-L108 HydrophobicContact CD2-CG 4.43Å; Y60-L108 HydrophobicContact CE2-CD1 3.97Å; Y60-L108 HydrophobicContact CE2-CD2 3.78Å; Y60-L108 HydrophobicContact CE2-CG 3.97Å; L63-L108 HydrophobicContact CB-CD1 3.34Å; K64-L108 HydrophobicContact CB-CD1 4.47Å; L104-L108 PolarHBondContact O-N 3.08Å; L104-L108 VanDerWaalsContact O-N 3.11Å; A105-L108 CarbonylContact O-C 3.59Å; A105-L108 PolarHBondContact O-N 3.46Å; N106-L108 PolarHBondContact O-N 3.25Å; L108-L110 HydrophobicContact CB-CD1 4.07Å; L108-L110 HydrophobicContact CB-CG 4.31Å; L108-L110 PolarHBondContact O-N 2.9Å |
| 109 | N | 96.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 27 Ų | 27 | 54% | 0.54 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 40.5 | -178.2 | -166.2 | 22.2 | 0 | 0 | 0 | 112.6 | A105 N106 K107 | A105-N109 PolarHBondContact O-N 3.4Å; N106-N109 WeakPolarHBondContact O-CA 3.36Å; N106-N109 PolarHBondContact O-N 3.42Å; K107-N109 VanDerWaalsContact C-N 3.32Å |
| 110 | L | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | trans | -99.4 | 125.4 | 172.4 | -67.7 | 165.2 | 0 | 0 | 0 | 108.5 | L63 V66 R67 I74 A105 L108 P173 | L63-L110 HydrophobicContact CB-CD1 4.24Å; L63-L110 HydrophobicContact CD2-CD1 4.24Å; V66-L110 HydrophobicContact CG1-CD1 4.47Å; V66-L110 HydrophobicContact CG1-CD2 4.27Å; R67-L110 HydrophobicContact CB-CD1 4.48Å; R67-L110 HydrophobicContact CB-CD2 4.32Å; I74-L110 HydrophobicContact CG2-CB 4.39Å; I74-L110 HydrophobicContact CG2-CD1 3.96Å; A105-L110 PolarHBondContact O-N 2.86Å; L108-L110 HydrophobicContact CB-CD1 4.07Å; L108-L110 HydrophobicContact CB-CG 4.31Å; L108-L110 PolarHBondContact O-N 2.9Å; L110-P173 WeakPolarHBondContact O-CB 3.33Å | ||
| 111 | S | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 151.9 | 168.6 | -49.5 | 0 | 0 | 0 | 0 | 109.7 | Y42 N72 A73 I74 P173 | Y42-S111 PolarHBondContact OH-OG 2.87Å; Y42-S111 VanDerWaalsContact OH-OG 3.06Å; N72-S111 PolarHBondContact O-N 3.24Å; A73-S111 CarbonylContact C-O 3.59Å; A73-S111 WeakPolarHBondContact CA-O 3.3Å; A73-S111 WeakPolarHBondContact CB-O 3.45Å; I74-S111 PolarHBondContact N-O 3.38Å; S111-P173 CarbonylContact C-O 3.27Å; S111-P173 WeakPolarHBondContact CA-O 3.37Å |
| 112 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.2 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 110 | I74 L102 A105 L114 P173 I174 I175 | I74-V112 HydrophobicContact CD1-CG2 3.94Å; I74-V112 HydrophobicContact CG1-CB 4.41Å; I74-V112 HydrophobicContact CG1-CG2 3.72Å; L102-V112 HydrophobicContact CD2-CB 4.36Å; L102-V112 HydrophobicContact CD2-CG1 3.78Å; L102-V112 HydrophobicContact CD2-CG2 4.04Å; A105-V112 HydrophobicContact CB-CG2 3.83Å; V112-L114 HydrophobicContact CG1-CB 4.25Å; V112-P173 HydrophobicContact CB-CB 4.31Å; V112-P173 HydrophobicContact CB-CG 4.27Å; V112-P173 HydrophobicContact CG2-CB 3.8Å; V112-P173 HydrophobicContact CG2-CG 3.67Å; V112-P173 PolarHBondContact N-O 3.45Å; V112-I174 HydrophobicContact CB-CG1 3.94Å; V112-I174 HydrophobicContact CG1-CG1 3.91Å; V112-I174 CarbonylContact O-C 3.6Å; V112-I174 WeakPolarHBondContact O-CA 3.49Å; V112-I175 WeakPolarHBondContact O-CG1 3.41Å; V112-I175 PolarHBondContact O-N 2.96Å |
| 113 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.9 | 164.9 | -60.4 | 161.4 | 0 | 0 | 0 | 106 | Y44 A46 I74 Q75 T76 I175 M176 F212 | Y44-I113 HydrophobicContact CD1-CD1 4.34Å; Y44-I113 HydrophobicContact CD2-CD1 3.72Å; Y44-I113 HydrophobicContact CE1-CD1 4.11Å; Y44-I113 HydrophobicContact CE2-CD1 3.47Å; Y44-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y44-I113 HydrophobicContact CG-CD1 4.14Å; A46-I113 HydrophobicContact CB-CD1 3.95Å; I74-I113 PolarHBondContact O-N 3.49Å; Q75-I113 VanDerWaalsContact CA-O 3.28Å; Q75-I113 WeakPolarHBondContact CA-O 3.33Å; Q75-I113 HydrophobicContact CB-CB 4.31Å; Q75-I113 HydrophobicContact CG-CB 4.34Å; Q75-I113 HydrophobicContact CG-CG2 4.26Å; T76-I113 PolarHBondContact N-O 3.43Å; I113-I175 HydrophobicContact CG1-CD1 4.31Å; I113-I175 HydrophobicContact CG1-CG1 4.3Å; I113-M176 HydrophobicContact CG1-CB 4.42Å; I113-M176 HydrophobicContact CG2-CB 4.25Å; I113-F212 HydrophobicContact CG2-CE1 3.64Å; I113-F212 HydrophobicContact CG2-CZ 3.46Å; I113-F212 VanDerWaalsContact CG2-CZ 3.46Å |
| 114 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.5 | -173.8 | -169.5 | 66.7 | 0 | 0 | 0 | 110.8 | T76 V78 L98 V112 P116 I163 I174 M176 V177 Q178 | T76-L114 HydrophobicContact CG2-CD1 3.78Å; V78-L114 HydrophobicContact CG2-CD1 3.89Å; V78-L114 HydrophobicContact CG2-CG 4.41Å; L98-L114 HydrophobicContact CD1-CD1 4.46Å; V112-L114 HydrophobicContact CG1-CB 4.25Å; L114-P116 VanDerWaalsContact C-CD 3.46Å; L114-P116 VanDerWaalsContact O-CD 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.34Å; L114-I163 HydrophobicContact CD2-CB 4.46Å; L114-I163 HydrophobicContact CD2-CD1 3.49Å; L114-I163 VanDerWaalsContact CD2-CD1 3.49Å; L114-I163 HydrophobicContact CD2-CG1 3.86Å; L114-I163 HydrophobicContact CD2-CG2 3.7Å; L114-I174 HydrophobicContact CB-CD1 4.49Å; L114-I174 HydrophobicContact CB-CG2 4.06Å; L114-I174 HydrophobicContact CD2-CD1 3.89Å; L114-M176 PolarHBondContact N-O 2.77Å; L114-V177 HydrophobicContact CB-CG2 4.49Å; L114-V177 CarbonylContact O-C 3.57Å; L114-V177 VanDerWaalsContact O-CA 3.31Å; L114-V177 WeakPolarHBondContact O-CA 3.38Å; L114-Q178 PolarHBondContact O-N 2.81Å |
| 115 | R | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 74.9 | 180 | -56.7 | 177.8 | 62.9 | 171.7 | 12.5 | 110.6 | Q75 T76 Y77 V78 G117 Q178 N181 E263 | Q75-R115 HydrophobicContact CG-CG 3.95Å; T76-R115 PolarHBondContact O-N 3.48Å; Y77-R115 CarbonylContact C-O 3.55Å; Y77-R115 WeakPolarHBondContact CA-O 3.39Å; Y77-R115 HydrophobicContact CD1-CB 3.4Å; Y77-R115 HydrophobicContact CD1-CG 4.43Å; Y77-R115 WeakPolarHBondContact CD1-O 3.42Å; Y77-R115 HydrophobicContact CE1-CB 3.8Å; Y77-R115 HydrophobicContact CE1-CG 4.49Å; Y77-R115 HydrophobicContact CG-CB 4.22Å; Y77-R115 PolarHBondContact OH-NH1 2.61Å; Y77-R115 VanDerWaalsContact OH-NH1 3.13Å; Y77-R115 PolarHBondContact OH-NH2 3.25Å; V78-R115 PolarHBondContact N-O 3.31Å; V78-R115 VanDerWaalsContact N-O 3.13Å; R115-G117 PolarHBondContact O-N 2.91Å; R115-G117 VanDerWaalsContact O-N 3.17Å; R115-Q178 HydrophobicContact CB-CB 4.14Å; R115-Q178 HydrophobicContact CG-CB 3.79Å; R115-Q178 VanDerWaalsContact NE-NE2 3.13Å; R115-N181 PolarHBondContact NH2-OD1 3.26Å; R115-E263 IonicContact CZ-OE1 2.69Å; R115-E263 VanDerWaalsContact NH1-CD 3.27Å; R115-E263 VanDerWaalsContact NH1-CG 3.31Å; R115-E263 IonicContact NH1-OE1 3.82Å; R115-E263 PolarHBondContact NH1-OE1 3.3Å; R115-E263 IonicContact NH2-OE1 2.66Å; R115-E263 PolarHBondContact NH2-OE1 3.12Å |
| 116 | P | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | trans | -76.3 | 0.2 | -167.1 | 28.9 | -34.3 | 0 | 0 | 0 | 115.8 | V78 L114 L159 I163 V177 Q178 F201 | V78-P116 HydrophobicContact CB-CB 4.44Å; V78-P116 HydrophobicContact CG2-CB 4.18Å; L114-P116 VanDerWaalsContact C-CD 3.46Å; L114-P116 VanDerWaalsContact O-CD 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-L159 HydrophobicContact CB-CD2 3.89Å; P116-I163 HydrophobicContact CB-CD1 4.44Å; P116-V177 HydrophobicContact CG-CG1 3.66Å; P116-Q178 WeakPolarHBondContact CD-O 3.37Å; P116-F201 HydrophobicContact CB-CE1 4.41Å; P116-F201 HydrophobicContact CG-CE1 3.41Å; P116-F201 VanDerWaalsContact CG-CE1 3.41Å; P116-F201 HydrophobicContact CG-CZ 3.59Å | ||
| 117 | G | 97.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | trans | 95.7 | -139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R115 Y156 E180 | R115-G117 PolarHBondContact O-N 2.91Å; R115-G117 VanDerWaalsContact O-N 3.17Å; G117-Y156 PolarHBondContact O-OH 3.38Å; G117-E180 PolarHBondContact O-N 3.48Å | ||
| 118 | P | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | cis | -77 | -24.8 | 14.5 | 30.2 | -35.4 | 0 | 0 | 0 | 113.7 | W80 L129 F148 V152 Y156 Y193 L197 | W80-P118 HydrophobicContact CE3-CB 3.81Å; W80-P118 HydrophobicContact CZ3-CB 4.02Å; P118-L129 HydrophobicContact CB-CD2 4.29Å; P118-L129 WeakPolarHBondContact O-CD2 3.35Å; P118-F148 HydrophobicContact CG-CZ 4.2Å; P118-V152 HydrophobicContact CB-CG1 4.45Å; P118-V152 HydrophobicContact CB-CG2 4.13Å; P118-V152 HydrophobicContact CG-CG1 4.22Å; P118-V152 HydrophobicContact CG-CG2 3.9Å; P118-Y156 VanDerWaalsContact CD-OH 3.25Å; P118-Y156 WeakPolarHBondContact CD-OH 3.37Å; P118-Y193 WeakPolarHBondContact CG-OH 3.14Å; P118-L197 HydrophobicContact CG-CD2 4.48Å |
| 119 | F | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 7.9 Ų | 7.9 | 2% | 0.018 | 4% | 0.043 | C | C | . | . | trans | -95.6 | 137.1 | 170.9 | 173.1 | -90.1 | 0 | 0 | 0 | 109.7 | C121 G127 L129 R142 N181 T477 | F119-C121 HydrophobicContact CE1-CB 3.62Å; F119-C121 HydrophobicContact CZ-CB 3.7Å; F119-G127 WeakPolarHBondContact CD2-O 3.48Å; F119-L129 HydrophobicContact CB-CD1 4.43Å; F119-L129 HydrophobicContact CB-CD2 4.27Å; F119-L129 HydrophobicContact CB-CG 4.33Å; F119-L129 HydrophobicContact CD2-CD1 4.04Å; F119-L129 HydrophobicContact CD2-CG 4.17Å; F119-R142 HydrophobicContact CB-CG 4.09Å; F119-R142 VanDerWaalsContact CD1-NH2 3.3Å; F119-R142 HydrophobicContact CG-CG 4.34Å; F119-R142 VanDerWaalsContact CZ-NH1 3.28Å; F119-N181 HydrophobicContact CD1-CB 4.15Å; F119-N181 HydrophobicContact CE1-CB 4.49Å; F119-N181 WeakPolarHBondContact O-CB 3.46Å; F119-T477 WeakPolarHBondContact CZ-O 3.29Å | ||
| 120 | I | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -122.8 | -9.7 | -174.7 | 67.3 | 164.5 | 0 | 0 | 0 | 113.6 | F52 Y77 P79 A122 W124 G127 | F52-I120 HydrophobicContact CZ-CD1 4.07Å; Y77-I120 HydrophobicContact CD1-CB 3.48Å; Y77-I120 VanDerWaalsContact CD1-CB 3.48Å; Y77-I120 HydrophobicContact CD1-CG2 3.57Å; Y77-I120 HydrophobicContact CD2-CB 4.36Å; Y77-I120 HydrophobicContact CE1-CB 3.9Å; Y77-I120 HydrophobicContact CE1-CG2 4.31Å; Y77-I120 HydrophobicContact CG-CB 3.72Å; Y77-I120 HydrophobicContact CG-CD1 4.23Å; Y77-I120 HydrophobicContact CG-CG2 3.98Å; Y77-I120 VanDerWaalsContact CZ-O 3.3Å; Y77-I120 PolarHBondContact OH-O 2.97Å; P79-I120 HydrophobicContact CB-CD1 3.81Å; I120-A122 VanDerWaalsContact C-N 3.28Å; I120-A122 HydrophobicContact CD1-CB 4.05Å; I120-A122 HydrophobicContact CG1-CB 4.23Å; I120-A122 PolarHBondContact O-N 3.26Å; I120-W124 HydrophobicContact CD1-CB 4.46Å; I120-G127 WeakPolarHBondContact CG1-O 3.43Å; I120-G127 PolarHBondContact N-O 2.83Å | ||
| 121 | C | 97.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 3.2 Ų | 3.2 | 12% | 0.122 | 2% | 0.018 | C | C | . | . | trans | 51.2 | -90.1 | -165.7 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | F119 E123 W124 G127 N181 T477 | F119-C121 HydrophobicContact CE1-CB 3.62Å; F119-C121 HydrophobicContact CZ-CB 3.7Å; C121-E123 PolarHBondContact O-N 2.86Å; C121-E123 PolarHBondContact SG-OE1 2.79Å; C121-W124 PolarHBondContact O-N 2.9Å; C121-G127 PolarHBondContact N-O 3.08Å; C121-G127 WeakPolarHBondContact O-CA 3.35Å; C121-N181 WeakPolarHBondContact CB-ND2 3.48Å; C121-T477 PolarHBondContact SG-O 2.84Å | ||
| 122 | A | 97.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.008 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 17.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R53 Y77 I120 W124 Y324 | R53-A122 PolarHBondContact NH1-O 3.47Å; R53-A122 VanDerWaalsContact NH1-O 3.17Å; R53-A122 PolarHBondContact NH2-O 3.26Å; Y77-A122 HydrophobicContact CD2-CB 3.96Å; Y77-A122 HydrophobicContact CE2-CB 3.94Å; I120-A122 VanDerWaalsContact C-N 3.28Å; I120-A122 HydrophobicContact CD1-CB 4.05Å; I120-A122 HydrophobicContact CG1-CB 4.23Å; I120-A122 PolarHBondContact O-N 3.26Å; A122-W124 HydrophobicContact CB-CB 4.23Å; A122-W124 PolarHBondContact O-N 3.27Å; A122-Y324 PolarHBondContact O-OH 3.48Å |
| 123 | E | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 3.9 Ų | 3.9 | 10% | 0.098 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 27.4 | -165.4 | -69 | 72.9 | -111.9 | 0 | 0 | 113.4 | C121 F269 G314 V320 Y324 | C121-E123 PolarHBondContact O-N 2.86Å; C121-E123 PolarHBondContact SG-OE1 2.79Å; E123-F269 HydrophobicContact CG-CB 4.48Å; E123-F269 HydrophobicContact CG-CD1 3.6Å; E123-F269 HydrophobicContact CG-CD2 3.8Å; E123-F269 HydrophobicContact CG-CE1 3.6Å; E123-F269 HydrophobicContact CG-CE2 3.79Å; E123-F269 HydrophobicContact CG-CG 3.7Å; E123-F269 HydrophobicContact CG-CZ 3.7Å; E123-F269 WeakPolarHBondContact OE2-CD1 3.38Å; E123-G314 PolarHBondContact O-N 3.15Å; E123-V320 HydrophobicContact CB-CB 4.49Å; E123-V320 HydrophobicContact CB-CG1 4.09Å; E123-V320 HydrophobicContact CB-CG2 3.83Å; E123-V320 HydrophobicContact CG-CG2 4.02Å; E123-Y324 HydrophobicContact CB-CE2 3.7Å; E123-Y324 HydrophobicContact CG-CE2 4.34Å; E123-Y324 PolarHBondContact OE2-OH 2.88Å |
| 124 | W | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 4 Ų | 4 | 2% | 0.015 | 2% | 0.02 | C | C | . | . | B | Isolated β-bridge | trans | -93.4 | 152.3 | 179.4 | -171.6 | -101.7 | 0 | 0 | 0 | 110.2 | F52 R53 N81 I120 C121 A122 N126 G127 M312 T477 | F52-W124 HydrophobicContact CD2-CD2 4.08Å; F52-W124 AromaticContact CD2-CE3 3.89Å; F52-W124 HydrophobicContact CD2-CE3 3.89Å; F52-W124 AromaticContact CD2-CH2 3.68Å; F52-W124 HydrophobicContact CD2-CH2 3.68Å; F52-W124 AromaticContact CD2-CZ2 3.9Å; F52-W124 HydrophobicContact CD2-CZ2 3.9Å; F52-W124 AromaticContact CD2-CZ3 3.7Å; F52-W124 HydrophobicContact CD2-CZ3 3.7Å; F52-W124 AromaticContact CE2-CD2 3.94Å; F52-W124 HydrophobicContact CE2-CD2 3.94Å; F52-W124 AromaticContact CE2-CE3 3.8Å; F52-W124 HydrophobicContact CE2-CE3 3.8Å; F52-W124 HydrophobicContact CE2-CG 4.45Å; F52-W124 HydrophobicContact CE2-CH2 4.42Å; F52-W124 HydrophobicContact CE2-CZ3 4.06Å; R53-W124 HydrophobicContact CG-CE3 4.39Å; R53-W124 HydrophobicContact CG-CZ3 3.81Å; N81-W124 PolarHBondContact ND2-NE1 3.45Å; N81-W124 PolarHBondContact OD1-NE1 2.81Å; I120-W124 HydrophobicContact CD1-CB 4.46Å; C121-W124 PolarHBondContact O-N 2.9Å; A122-W124 HydrophobicContact CB-CB 4.23Å; A122-W124 PolarHBondContact O-N 3.27Å; W124-N126 PolarHBondContact O-N 2.94Å; W124-N126 VanDerWaalsContact O-N 3.12Å; W124-G127 WeakPolarHBondContact O-CA 3.36Å; W124-G127 PolarHBondContact O-N 2.7Å; W124-M312 HydrophobicContact CD2-CB 4.13Å; W124-M312 HydrophobicContact CE3-CB 3.91Å; W124-M312 HydrophobicContact CH2-CB 3.25Å; W124-M312 HydrophobicContact CH2-CG 3.58Å; W124-M312 HydrophobicContact CH2-SD 4.44Å; W124-M312 HydrophobicContact CZ2-CB 3.47Å; W124-M312 VanDerWaalsContact CZ2-CB 3.47Å; W124-M312 HydrophobicContact CZ2-CG 3.57Å; W124-M312 HydrophobicContact CZ2-SD 3.82Å; W124-M312 HydrophobicContact CZ3-CB 3.47Å; W124-M312 VanDerWaalsContact CZ3-CB 3.47Å; W124-M312 HydrophobicContact CZ3-CG 4.31Å; W124-T477 VanDerWaalsContact O-CG2 3.26Å; W124-T477 WeakPolarHBondContact O-CG2 3.36Å |
| 125 | E | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -44.3 | 119.5 | 179.7 | 172.8 | 56.9 | -165.6 | 0 | 0 | 112.1 | N81 G127 G128 M312 Y407 G474 R475 | N81-E125 PolarHBondContact ND2-O 2.85Å; E125-G127 PolarHBondContact O-N 3.18Å; E125-G127 VanDerWaalsContact O-N 3.15Å; E125-G128 PolarHBondContact O-N 3.2Å; E125-M312 WeakPolarHBondContact CB-O 3.13Å; E125-M312 PolarHBondContact N-O 3Å; E125-Y407 HydrophobicContact CG-CD1 4.28Å; E125-Y407 HydrophobicContact CG-CE1 3.6Å; E125-G474 VanDerWaalsContact OE2-CA 3.22Å; E125-G474 WeakPolarHBondContact OE2-CA 3.47Å; E125-R475 WeakPolarHBondContact OE1-CB 3.26Å; E125-R475 VanDerWaalsContact OE1-CD 3.27Å; E125-R475 WeakPolarHBondContact OE1-CD 3.36Å; E125-R475 WeakPolarHBondContact OE1-CG 3.44Å; E125-R475 IonicContact OE1-CZ 2.75Å; E125-R475 IonicContact OE1-NE 2.73Å; E125-R475 IonicContact OE1-NH1 3.7Å; E125-R475 PolarHBondContact OE1-NH1 2.97Å; E125-R475 PolarHBondContact OE2-N 2.88Å |
| 126 | N | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | 54.5 | 27.7 | -178.7 | -158.2 | 35.7 | 0 | 0 | 0 | 114.3 | W124 G128 L129 R475 | W124-N126 PolarHBondContact O-N 2.94Å; W124-N126 VanDerWaalsContact O-N 3.12Å; N126-G128 PolarHBondContact O-N 3.06Å; N126-L129 WeakPolarHBondContact CB-O 3.17Å; N126-L129 PolarHBondContact ND2-O 2.83Å; N126-L129 WeakPolarHBondContact O-CB 3.44Å; N126-L129 PolarHBondContact O-N 2.86Å; N126-R475 HydrophobicContact CB-CB 3.74Å; N126-R475 HydrophobicContact CB-CG 4.46Å |
| 127 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | 59.5 | 27.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F119 I120 C121 W124 E125 L129 | F119-G127 WeakPolarHBondContact CD2-O 3.48Å; I120-G127 WeakPolarHBondContact CG1-O 3.43Å; I120-G127 PolarHBondContact N-O 2.83Å; C121-G127 PolarHBondContact N-O 3.08Å; C121-G127 WeakPolarHBondContact O-CA 3.35Å; W124-G127 WeakPolarHBondContact O-CA 3.36Å; W124-G127 PolarHBondContact O-N 2.7Å; E125-G127 PolarHBondContact O-N 3.18Å; E125-G127 VanDerWaalsContact O-N 3.15Å; G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 2.98Å |
| 128 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | 82.2 | -1.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W80 N81 E125 N126 | W80-G128 CarbonylContact C-O 3.56Å; W80-G128 WeakPolarHBondContact CA-O 3.4Å; W80-G128 WeakPolarHBondContact CB-O 3.46Å; W80-G128 PolarHBondContact N-O 3.37Å; W80-G128 VanDerWaalsContact N-O 3.16Å; N81-G128 WeakPolarHBondContact CB-O 3.4Å; N81-G128 PolarHBondContact N-O 3.48Å; E125-G128 PolarHBondContact O-N 3.2Å; N126-G128 PolarHBondContact O-N 3.06Å |
| 129 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -80.1 | 136.4 | 175.5 | -64.3 | 177.8 | 0 | 0 | 0 | 111 | W80 P118 F119 N126 G127 W131 L133 L141 R142 F148 | W80-L129 HydrophobicContact CE3-CD2 3.74Å; W80-L129 HydrophobicContact CZ3-CD2 4.02Å; P118-L129 HydrophobicContact CB-CD2 4.29Å; P118-L129 WeakPolarHBondContact O-CD2 3.35Å; F119-L129 HydrophobicContact CB-CD1 4.43Å; F119-L129 HydrophobicContact CB-CD2 4.27Å; F119-L129 HydrophobicContact CB-CG 4.33Å; F119-L129 HydrophobicContact CD2-CD1 4.04Å; F119-L129 HydrophobicContact CD2-CG 4.17Å; N126-L129 WeakPolarHBondContact CB-O 3.17Å; N126-L129 PolarHBondContact ND2-O 2.83Å; N126-L129 WeakPolarHBondContact O-CB 3.44Å; N126-L129 PolarHBondContact O-N 2.86Å; G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 2.98Å; L129-W131 PolarHBondContact O-N 3.1Å; L129-L133 HydrophobicContact CB-CD1 4.13Å; L129-L133 HydrophobicContact CD2-CD1 4.46Å; L129-L141 HydrophobicContact CD1-CB 4.34Å; L129-L141 HydrophobicContact CD1-CD1 4.13Å; L129-R142 HydrophobicContact CD1-CG 4.32Å; L129-F148 HydrophobicContact CD1-CE2 4.42Å; L129-F148 HydrophobicContact CD2-CE2 4.17Å; L129-F148 HydrophobicContact CD2-CZ 4.21Å | ||
| 130 | P | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -59.8 | 136.8 | 178.9 | -22.2 | 28.3 | 0 | 0 | 0 | 113.6 | W80 N81 W132 L133 | W80-P130 HydrophobicContact CB-CG 4.39Å; W80-P130 HydrophobicContact CD2-CG 3.62Å; W80-P130 HydrophobicContact CE3-CG 4.34Å; W80-P130 HydrophobicContact CG-CG 3.61Å; W80-P130 HydrophobicContact CZ2-CG 4.31Å; N81-P130 HydrophobicContact CB-CB 4.49Å; N81-P130 HydrophobicContact CB-CG 4.5Å; P130-W132 HydrophobicContact CB-CD2 3.88Å; P130-W132 HydrophobicContact CB-CG 4.18Å; P130-W132 HydrophobicContact CB-CH2 4.31Å; P130-W132 HydrophobicContact CB-CZ2 3.45Å; P130-W132 VanDerWaalsContact CB-CZ2 3.45Å; P130-W132 HydrophobicContact CG-CH2 4.27Å; P130-W132 HydrophobicContact CG-CZ2 3.53Å; P130-W132 PolarHBondContact O-N 3.04Å; P130-L133 HydrophobicContact CB-CG 4.44Å; P130-L133 HydrophobicContact CG-CD1 4.43Å; P130-L133 WeakPolarHBondContact O-CB 3.27Å; P130-L133 PolarHBondContact O-N 2.92Å; P130-L133 VanDerWaalsContact O-N 3.14Å | ||
| 131 | W | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -58.1 | -31.8 | -178.5 | 66.8 | -87.4 | 0 | 0 | 0 | 112.7 | P85 F86 L129 L133 L134 E401 N404 P406 | P85-W131 PolarHBondContact O-NE1 3.24Å; F86-W131 AromaticContact CD1-CZ2 3.77Å; F86-W131 HydrophobicContact CD1-CZ2 3.77Å; F86-W131 AromaticContact CE1-CZ2 3.79Å; F86-W131 HydrophobicContact CE1-CZ2 3.79Å; L129-W131 PolarHBondContact O-N 3.1Å; W131-L133 PolarHBondContact O-N 2.98Å; W131-L134 VanDerWaalsContact O-CB 3.25Å; W131-L134 WeakPolarHBondContact O-CB 3.32Å; W131-L134 VanDerWaalsContact O-CG 3.31Å; W131-L134 WeakPolarHBondContact O-CG 3.18Å; W131-L134 PolarHBondContact O-N 2.81Å; W131-L134 VanDerWaalsContact O-N 3.12Å; W131-E401 HydrophobicContact CE3-CB 4.19Å; W131-E401 HydrophobicContact CE3-CG 4.12Å; W131-E401 HydrophobicContact CZ3-CB 4.17Å; W131-N404 HydrophobicContact CH2-CB 4.45Å; W131-N404 WeakPolarHBondContact CH2-OD1 3.38Å; W131-N404 WeakPolarHBondContact CZ2-OD1 3.25Å; W131-P406 HydrophobicContact CB-CB 4.49Å; W131-P406 VanDerWaalsContact CD1-CB 3.43Å; W131-P406 HydrophobicContact CD2-CB 3.71Å; W131-P406 HydrophobicContact CG-CB 3.61Å; W131-P406 HydrophobicContact CZ2-CB 4.43Å |
| 132 | W | 98 | Very high | 97.4 | Very high | 17 Ų | 17 | 28.6 Ų | 28.6 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -72.5 | -17.1 | -176.3 | 50.7 | -104.5 | 0 | 0 | 0 | 112.6 | W80 E84 P87 P130 L134 N135 R151 | W80-W132 AromaticContact CZ2-CH2 3.97Å; W80-W132 HydrophobicContact CZ2-CH2 3.97Å; W80-W132 HydrophobicContact CZ2-CZ2 4.45Å; E84-W132 HydrophobicContact CB-CZ2 4.38Å; E84-W132 HydrophobicContact CG-CZ2 3.79Å; E84-W132 PolarHBondContact O-NE1 3.39Å; E84-W132 WeakPolarHBondContact OE1-CZ2 3.48Å; E84-W132 WeakPolarHBondContact OE2-CZ2 3.37Å; P87-W132 HydrophobicContact CB-CD2 4.32Å; P87-W132 HydrophobicContact CB-CE3 4.44Å; P87-W132 HydrophobicContact CG-CB 4.02Å; P87-W132 HydrophobicContact CG-CD2 3.64Å; P87-W132 HydrophobicContact CG-CE3 3.96Å; P87-W132 HydrophobicContact CG-CG 3.65Å; P130-W132 HydrophobicContact CB-CD2 3.88Å; P130-W132 HydrophobicContact CB-CG 4.18Å; P130-W132 HydrophobicContact CB-CH2 4.31Å; P130-W132 HydrophobicContact CB-CZ2 3.45Å; P130-W132 VanDerWaalsContact CB-CZ2 3.45Å; P130-W132 HydrophobicContact CG-CH2 4.27Å; P130-W132 HydrophobicContact CG-CZ2 3.53Å; P130-W132 PolarHBondContact O-N 3.04Å; W132-L134 PolarHBondContact O-N 2.86Å; W132-N135 WeakPolarHBondContact O-CB 3.5Å; W132-N135 PolarHBondContact O-N 2.93Å; W132-N135 VanDerWaalsContact O-N 3.11Å; W132-R151 HydrophobicContact CZ3-CG 4.17Å |
| 133 | L | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -57.9 | -34.1 | 169.4 | -70.6 | 173.2 | 0 | 0 | 0 | 111 | W80 L129 P130 W131 N135 E136 I139 L141 F148 R151 | W80-L133 HydrophobicContact CE3-CD1 4.45Å; W80-L133 HydrophobicContact CH2-CD1 4.02Å; W80-L133 HydrophobicContact CH2-CD2 4.23Å; W80-L133 HydrophobicContact CZ3-CD1 3.91Å; L129-L133 HydrophobicContact CB-CD1 4.13Å; L129-L133 HydrophobicContact CD2-CD1 4.46Å; P130-L133 HydrophobicContact CB-CG 4.44Å; P130-L133 HydrophobicContact CG-CD1 4.43Å; P130-L133 WeakPolarHBondContact O-CB 3.27Å; P130-L133 PolarHBondContact O-N 2.92Å; P130-L133 VanDerWaalsContact O-N 3.14Å; W131-L133 PolarHBondContact O-N 2.98Å; L133-N135 PolarHBondContact O-N 3.4Å; L133-E136 VanDerWaalsContact O-CB 3.25Å; L133-E136 WeakPolarHBondContact O-CB 3.32Å; L133-E136 PolarHBondContact O-N 2.94Å; L133-E136 VanDerWaalsContact O-N 3.12Å; L133-I139 HydrophobicContact CB-CD1 4.4Å; L133-I139 HydrophobicContact CD2-CD1 4.34Å; L133-L141 HydrophobicContact CB-CD2 4.18Å; L133-L141 HydrophobicContact CD1-CD2 4.34Å; L133-F148 HydrophobicContact CD1-CD2 4.49Å; L133-F148 HydrophobicContact CD1-CE2 4.17Å; L133-R151 HydrophobicContact CD2-CB 3.75Å; L133-R151 HydrophobicContact CD2-CG 3.66Å |
| 134 | L | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -68.5 | -18.6 | -178.5 | -51.9 | -176.2 | 0 | 0 | 0 | 112.4 | W131 W132 E136 L141 E401 V481 K483 | W131-L134 VanDerWaalsContact O-CB 3.25Å; W131-L134 WeakPolarHBondContact O-CB 3.32Å; W131-L134 VanDerWaalsContact O-CG 3.31Å; W131-L134 WeakPolarHBondContact O-CG 3.18Å; W131-L134 PolarHBondContact O-N 2.81Å; W131-L134 VanDerWaalsContact O-N 3.12Å; W132-L134 PolarHBondContact O-N 2.86Å; L134-E136 PolarHBondContact O-N 3.03Å; L134-L141 HydrophobicContact CD2-CD1 3.73Å; L134-E401 HydrophobicContact CB-CG 3.89Å; L134-E401 HydrophobicContact CD1-CG 4.44Å; L134-V481 HydrophobicContact CD2-CB 4.35Å; L134-V481 HydrophobicContact CD2-CG1 4.16Å; L134-V481 HydrophobicContact CD2-CG2 4.3Å; L134-K483 HydrophobicContact CB-CG 4.25Å; L134-K483 WeakPolarHBondContact O-CE 3.49Å; L134-K483 PolarHBondContact O-NZ 2.9Å |
| 135 | N | 95.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 30.8 Ų | 30.8 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -76.2 | -15.5 | 176 | -159.1 | 42.6 | 0 | 0 | 0 | 112.7 | W132 L133 P137 E401 | W132-N135 WeakPolarHBondContact O-CB 3.5Å; W132-N135 PolarHBondContact O-N 2.93Å; W132-N135 VanDerWaalsContact O-N 3.11Å; L133-N135 PolarHBondContact O-N 3.4Å; N135-P137 WeakPolarHBondContact O-CD 3.28Å; N135-E401 HydrophobicContact CB-CB 4.27Å |
| 136 | E | 95.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -69 | 119.8 | 175.7 | -171.1 | 66.3 | -125.6 | 0 | 0 | 110 | L133 L134 D138 I139 K147 | L133-E136 VanDerWaalsContact O-CB 3.25Å; L133-E136 WeakPolarHBondContact O-CB 3.32Å; L133-E136 PolarHBondContact O-N 2.94Å; L133-E136 VanDerWaalsContact O-N 3.12Å; L134-E136 PolarHBondContact O-N 3.03Å; E136-D138 PolarHBondContact O-N 3.26Å; E136-I139 HydrophobicContact CB-CB 3.94Å; E136-I139 HydrophobicContact CB-CD1 4.02Å; E136-I139 HydrophobicContact CB-CG1 4.5Å; E136-I139 HydrophobicContact CB-CG2 4.23Å; E136-I139 HydrophobicContact CG-CB 4.04Å; E136-I139 HydrophobicContact CG-CD1 4.2Å; E136-I139 HydrophobicContact CG-CG1 4.45Å; E136-I139 WeakPolarHBondContact O-CG2 3.29Å; E136-I139 PolarHBondContact O-N 2.86Å; E136-K147 HydrophobicContact CG-CB 4.13Å; E136-K147 HydrophobicContact CG-CD 3.9Å; E136-K147 HydrophobicContact CG-CG 4.42Å |
| 137 | P | 94 | Very high | 97.5 | Very high | 84 Ų | 84 | 38.9 Ų | 38.9 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.3 | -179.7 | -24.3 | 34.5 | 0 | 0 | 0 | 111.5 | N135 I139 K147 | N135-P137 WeakPolarHBondContact O-CD 3.28Å; P137-I139 PolarHBondContact O-N 2.69Å; P137-K147 PolarHBondContact O-NZ 3.01Å |
| 138 | D | 94.8 | Very high | 97.5 | Very high | 147 Ų | 147 | 38.9 Ų | 38.9 | 79% | 0.786 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 27.6 | 174.4 | -49.7 | -47.4 | 0 | 0 | 0 | 114.7 | E136 K147 | E136-D138 PolarHBondContact O-N 3.26Å; D138-K147 PolarHBondContact O-NZ 2.92Å |
| 139 | I | 97.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | trans | -67.4 | 134.3 | 176.6 | -167.8 | 171.3 | 0 | 0 | 0 | 110.2 | L133 E136 P137 L141 D145 F148 V481 | L133-I139 HydrophobicContact CB-CD1 4.4Å; L133-I139 HydrophobicContact CD2-CD1 4.34Å; E136-I139 HydrophobicContact CB-CB 3.94Å; E136-I139 HydrophobicContact CB-CD1 4.02Å; E136-I139 HydrophobicContact CB-CG1 4.5Å; E136-I139 HydrophobicContact CB-CG2 4.23Å; E136-I139 HydrophobicContact CG-CB 4.04Å; E136-I139 HydrophobicContact CG-CD1 4.2Å; E136-I139 HydrophobicContact CG-CG1 4.45Å; E136-I139 WeakPolarHBondContact O-CG2 3.29Å; E136-I139 PolarHBondContact O-N 2.86Å; P137-I139 PolarHBondContact O-N 2.69Å; I139-L141 HydrophobicContact CD1-CD2 3.89Å; I139-L141 HydrophobicContact CG1-CD2 4.17Å; I139-L141 HydrophobicContact CG2-CD2 4.29Å; I139-D145 WeakPolarHBondContact CA-OD2 3.11Å; I139-F148 HydrophobicContact CD1-CB 4.17Å; I139-F148 HydrophobicContact CD1-CD2 4.34Å; I139-F148 HydrophobicContact CG1-CB 4.17Å; I139-V481 HydrophobicContact CG2-CG2 4.13Å | ||
| 140 | R | 97.4 | Very high | 97.5 | Very high | 150 Ų | 150 | 46.5 Ų | 46.5 | 57% | 0.566 | 23% | 0.233 | S | C | * | . | trans | -105.2 | 100.4 | 170.9 | -59.5 | 178.1 | 65.5 | 172.2 | -0.9 | 108.1 | T143 D145 | R140-T143 HydrophobicContact CB-CG2 4.22Å; R140-T143 VanDerWaalsContact CB-OG1 3.23Å; R140-T143 WeakPolarHBondContact CB-OG1 3.44Å; R140-T143 PolarHBondContact O-OG1 3.34Å; R140-D145 HydrophobicContact CB-CB 4.03Å; R140-D145 PolarHBondContact N-OD2 3.17Å | ||
| 141 | L | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 148 | 177.6 | -58.7 | 178.3 | 0 | 0 | 0 | 110.3 | L129 L133 L134 I139 T143 F148 Y186 G479 V481 | L129-L141 HydrophobicContact CD1-CB 4.34Å; L129-L141 HydrophobicContact CD1-CD1 4.13Å; L133-L141 HydrophobicContact CB-CD2 4.18Å; L133-L141 HydrophobicContact CD1-CD2 4.34Å; L134-L141 HydrophobicContact CD2-CD1 3.73Å; I139-L141 HydrophobicContact CD1-CD2 3.89Å; I139-L141 HydrophobicContact CG1-CD2 4.17Å; I139-L141 HydrophobicContact CG2-CD2 4.29Å; L141-T143 PolarHBondContact O-N 3.23Å; L141-F148 HydrophobicContact CD2-CD2 3.76Å; L141-F148 HydrophobicContact CD2-CE2 3.96Å; L141-Y186 PolarHBondContact O-OH 3.48Å; L141-G479 WeakPolarHBondContact CB-O 2.97Å; L141-V481 HydrophobicContact CD1-CG2 4.14Å; L141-V481 HydrophobicContact CG-CG2 4.18Å |
| 142 | R | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.2 | 176.9 | -49.7 | 173.3 | 67.4 | -177 | 4.1 | 113 | F119 L129 E180 N181 Y183 Y186 Y193 F478 | F119-R142 HydrophobicContact CB-CG 4.09Å; F119-R142 VanDerWaalsContact CD1-NH2 3.3Å; F119-R142 HydrophobicContact CG-CG 4.34Å; F119-R142 VanDerWaalsContact CZ-NH1 3.28Å; L129-R142 HydrophobicContact CD1-CG 4.32Å; R142-E180 IonicContact CZ-OE1 2.63Å; R142-E180 IonicContact CZ-OE2 3.07Å; R142-E180 IonicContact NE-OE1 3.42Å; R142-E180 PolarHBondContact NE-OE1 3.17Å; R142-E180 IonicContact NE-OE2 3.82Å; R142-E180 VanDerWaalsContact NH2-CD 3.33Å; R142-E180 IonicContact NH2-OE1 3.73Å; R142-E180 PolarHBondContact NH2-OE1 3.02Å; R142-E180 VanDerWaalsContact NH2-OE1 3.16Å; R142-E180 IonicContact NH2-OE2 2.79Å; R142-E180 PolarHBondContact NH2-OE2 2.96Å; R142-N181 PolarHBondContact NH2-O 3.32Å; R142-Y183 HydrophobicContact CB-CE2 4.1Å; R142-Y183 VanDerWaalsContact O-CE2 3.23Å; R142-Y183 WeakPolarHBondContact O-CE2 3.38Å; R142-Y183 PolarHBondContact O-OH 2.8Å; R142-Y186 HydrophobicContact CB-CD1 4.09Å; R142-Y186 HydrophobicContact CB-CE1 3.64Å; R142-Y193 HydrophobicContact CB-CE1 4.08Å; R142-Y193 VanDerWaalsContact O-CD1 3.3Å; R142-Y193 WeakPolarHBondContact O-CD1 3.38Å; R142-F478 PolarHBondContact NH1-O 3.08Å; R142-F478 VanDerWaalsContact NH1-O 3.12Å |
| 143 | T | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -135.6 | 176.5 | 172.7 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | R140 L141 D145 Y186 E188 D190 Y193 | R140-T143 HydrophobicContact CB-CG2 4.22Å; R140-T143 VanDerWaalsContact CB-OG1 3.23Å; R140-T143 WeakPolarHBondContact CB-OG1 3.44Å; R140-T143 PolarHBondContact O-OG1 3.34Å; L141-T143 PolarHBondContact O-N 3.23Å; T143-D145 PolarHBondContact O-N 3.05Å; T143-D145 PolarHBondContact OG1-N 2.95Å; T143-Y186 HydrophobicContact CG2-CE1 4.31Å; T143-E188 HydrophobicContact CG2-CB 4.02Å; T143-E188 HydrophobicContact CG2-CG 3.8Å; T143-D190 WeakPolarHBondContact CB-OD2 3.3Å; T143-Y193 WeakPolarHBondContact O-CD2 3.48Å |
| 144 | S | 98.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -74.7 | 20.1 | 176.7 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | P146 D190 | S144-P146 WeakPolarHBondContact O-CD 3.39Å; S144-D190 VanDerWaalsContact CB-OD2 3.29Å; S144-D190 WeakPolarHBondContact CB-OD2 3.23Å; S144-D190 PolarHBondContact N-OD2 2.79Å; S144-D190 PolarHBondContact OG-OD2 2.98Å |
| 145 | D | 98.4 | Very high | 97.6 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | trans | -60.7 | 121.6 | 175.9 | 177 | -9.8 | 0 | 0 | 0 | 108.6 | I139 R140 T143 K147 F148 M149 | I139-D145 WeakPolarHBondContact CA-OD2 3.11Å; R140-D145 HydrophobicContact CB-CB 4.03Å; R140-D145 PolarHBondContact N-OD2 3.17Å; T143-D145 PolarHBondContact O-N 3.05Å; T143-D145 PolarHBondContact OG1-N 2.95Å; D145-K147 PolarHBondContact O-N 2.94Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 WeakPolarHBondContact OD1-CB 3.08Å; D145-K147 VanDerWaalsContact OD1-CE 3.26Å; D145-K147 WeakPolarHBondContact OD1-CE 3.3Å; D145-K147 PolarHBondContact OD1-N 2.94Å; D145-K147 VanDerWaalsContact OD2-CE 3.23Å; D145-K147 WeakPolarHBondContact OD2-CE 3.27Å; D145-K147 IonicContact OD2-NZ 3.69Å; D145-F148 HydrophobicContact CB-CB 4.21Å; D145-F148 PolarHBondContact O-N 2.87Å; D145-M149 PolarHBondContact O-N 2.98Å | ||
| 146 | P | 98.4 | Very high | 97.7 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 68% | 0.675 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -53.3 | -33.8 | -179.6 | -28.3 | 35.8 | 0 | 0 | 0 | 113.6 | S144 W150 | S144-P146 WeakPolarHBondContact O-CD 3.39Å; P146-W150 WeakPolarHBondContact O-CB 3.3Å; P146-W150 PolarHBondContact O-N 3.16Å |
| 147 | K | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 178.3 | -63 | 172.1 | -62.9 | -173.5 | 0 | 111.5 | E136 P137 D138 D145 R151 | E136-K147 HydrophobicContact CG-CB 4.13Å; E136-K147 HydrophobicContact CG-CD 3.9Å; E136-K147 HydrophobicContact CG-CG 4.42Å; P137-K147 PolarHBondContact O-NZ 3.01Å; D138-K147 PolarHBondContact O-NZ 2.92Å; D145-K147 PolarHBondContact O-N 2.94Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 WeakPolarHBondContact OD1-CB 3.08Å; D145-K147 VanDerWaalsContact OD1-CE 3.26Å; D145-K147 WeakPolarHBondContact OD1-CE 3.3Å; D145-K147 PolarHBondContact OD1-N 2.94Å; D145-K147 VanDerWaalsContact OD2-CE 3.23Å; D145-K147 WeakPolarHBondContact OD2-CE 3.27Å; D145-K147 IonicContact OD2-NZ 3.69Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.08Å |
| 148 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.2 | -48.5 | 176.8 | -179 | -112.3 | 0 | 0 | 0 | 111 | W80 P118 L129 L133 I139 L141 D145 W150 R151 V152 Y193 | W80-F148 HydrophobicContact CZ3-CE2 4.21Å; P118-F148 HydrophobicContact CG-CZ 4.2Å; L129-F148 HydrophobicContact CD1-CE2 4.42Å; L129-F148 HydrophobicContact CD2-CE2 4.17Å; L129-F148 HydrophobicContact CD2-CZ 4.21Å; L133-F148 HydrophobicContact CD1-CD2 4.49Å; L133-F148 HydrophobicContact CD1-CE2 4.17Å; I139-F148 HydrophobicContact CD1-CB 4.17Å; I139-F148 HydrophobicContact CD1-CD2 4.34Å; I139-F148 HydrophobicContact CG1-CB 4.17Å; L141-F148 HydrophobicContact CD2-CD2 3.76Å; L141-F148 HydrophobicContact CD2-CE2 3.96Å; D145-F148 HydrophobicContact CB-CB 4.21Å; D145-F148 PolarHBondContact O-N 2.87Å; F148-W150 VanDerWaalsContact C-N 3.32Å; F148-W150 PolarHBondContact O-N 2.91Å; F148-R151 WeakPolarHBondContact O-CB 3.31Å; F148-R151 PolarHBondContact O-N 3.06Å; F148-V152 HydrophobicContact CD1-CG2 4.11Å; F148-V152 HydrophobicContact CD2-CG2 4.49Å; F148-V152 HydrophobicContact CE1-CG2 3.72Å; F148-V152 HydrophobicContact CE2-CG2 4.13Å; F148-V152 HydrophobicContact CG-CG2 4.49Å; F148-V152 HydrophobicContact CZ-CG2 3.73Å; F148-V152 WeakPolarHBondContact O-CG2 3.35Å; F148-V152 PolarHBondContact O-N 2.91Å; F148-Y193 HydrophobicContact CD1-CE2 4.11Å; F148-Y193 HydrophobicContact CE1-CD2 4.5Å; F148-Y193 AromaticContact CE1-CE2 3.58Å; F148-Y193 HydrophobicContact CE1-CE2 3.58Å; F148-Y193 AromaticContact CE1-CZ 3.83Å |
| 149 | M | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -36.4 | -178.9 | -74.7 | -56.5 | -61.4 | 0 | 0 | 113 | D145 R151 V152 Q153 Y193 L197 | D145-M149 PolarHBondContact O-N 2.98Å; M149-R151 VanDerWaalsContact C-N 3.33Å; M149-R151 PolarHBondContact O-N 2.7Å; M149-V152 PolarHBondContact O-N 3.38Å; M149-Q153 VanDerWaalsContact O-CG 3.32Å; M149-Q153 WeakPolarHBondContact O-CG 3.44Å; M149-Q153 PolarHBondContact O-N 3.47Å; M149-Y193 HydrophobicContact SD-CD2 3.48Å; M149-Y193 WeakPolarHBondContact SD-CD2 3.39Å; M149-Y193 HydrophobicContact SD-CE2 3.69Å; M149-L197 HydrophobicContact CE-CD2 4.29Å; M149-L197 HydrophobicContact SD-CD2 4.48Å |
| 150 | W | 98.2 | Very high | 98.3 | Very high | 142 Ų | 142 | 43 Ų | 43 | 54% | 0.538 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.1 | -45.4 | 171.5 | 171.8 | -109.7 | 0 | 0 | 0 | 112 | P146 F148 Q153 L154 | P146-W150 WeakPolarHBondContact O-CB 3.3Å; P146-W150 PolarHBondContact O-N 3.16Å; F148-W150 VanDerWaalsContact C-N 3.32Å; F148-W150 PolarHBondContact O-N 2.91Å; W150-Q153 PolarHBondContact O-N 3.19Å; W150-L154 HydrophobicContact CH2-CD2 4.45Å; W150-L154 HydrophobicContact CZ2-CD1 4.13Å; W150-L154 HydrophobicContact CZ2-CD2 4.19Å; W150-L154 HydrophobicContact CZ2-CG 4.36Å; W150-L154 WeakPolarHBondContact O-CG 3.31Å; W150-L154 PolarHBondContact O-N 2.93Å; W150-L154 VanDerWaalsContact O-N 3.14Å |
| 151 | R | 98.2 | Very high | 98.3 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 177.8 | -63.6 | -65.9 | -172.5 | -156.3 | -3.8 | 112 | W80 W132 L133 K147 F148 M149 Q153 L154 W155 | W80-R151 HydrophobicContact CH2-CB 3.65Å; W80-R151 HydrophobicContact CZ2-CB 3.98Å; W80-R151 WeakPolarHBondContact CZ2-O 3.33Å; W132-R151 HydrophobicContact CZ3-CG 4.17Å; L133-R151 HydrophobicContact CD2-CB 3.75Å; L133-R151 HydrophobicContact CD2-CG 3.66Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.08Å; F148-R151 WeakPolarHBondContact O-CB 3.31Å; F148-R151 PolarHBondContact O-N 3.06Å; M149-R151 VanDerWaalsContact C-N 3.33Å; M149-R151 PolarHBondContact O-N 2.7Å; R151-Q153 VanDerWaalsContact C-N 3.32Å; R151-Q153 PolarHBondContact O-N 2.92Å; R151-L154 PolarHBondContact O-N 3.26Å; R151-W155 PolarHBondContact O-N 3.46Å |
| 152 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | W80 P118 F148 M149 W155 Y156 L197 L200 | W80-V152 HydrophobicContact CH2-CG2 4.1Å; W80-V152 HydrophobicContact CZ3-CG2 3.88Å; P118-V152 HydrophobicContact CB-CG1 4.45Å; P118-V152 HydrophobicContact CB-CG2 4.13Å; P118-V152 HydrophobicContact CG-CG1 4.22Å; P118-V152 HydrophobicContact CG-CG2 3.9Å; F148-V152 HydrophobicContact CD1-CG2 4.11Å; F148-V152 HydrophobicContact CD2-CG2 4.49Å; F148-V152 HydrophobicContact CE1-CG2 3.72Å; F148-V152 HydrophobicContact CE2-CG2 4.13Å; F148-V152 HydrophobicContact CG-CG2 4.49Å; F148-V152 HydrophobicContact CZ-CG2 3.73Å; F148-V152 WeakPolarHBondContact O-CG2 3.35Å; F148-V152 PolarHBondContact O-N 2.91Å; M149-V152 PolarHBondContact O-N 3.38Å; V152-W155 PolarHBondContact O-N 2.86Å; V152-Y156 HydrophobicContact CG1-CD2 3.86Å; V152-Y156 HydrophobicContact CG1-CE2 3.74Å; V152-Y156 PolarHBondContact O-N 3.28Å; V152-L197 HydrophobicContact CG1-CD2 3.7Å; V152-L200 HydrophobicContact CG1-CD2 4.23Å |
| 153 | Q | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 175.9 | -73.7 | 171.6 | 12 | 0 | 0 | 112.1 | M149 W150 R151 W155 Y156 A157 L200 | M149-Q153 VanDerWaalsContact O-CG 3.32Å; M149-Q153 WeakPolarHBondContact O-CG 3.44Å; M149-Q153 PolarHBondContact O-N 3.47Å; W150-Q153 PolarHBondContact O-N 3.19Å; R151-Q153 VanDerWaalsContact C-N 3.32Å; R151-Q153 PolarHBondContact O-N 2.92Å; Q153-W155 VanDerWaalsContact C-N 3.34Å; Q153-W155 PolarHBondContact O-N 3.34Å; Q153-Y156 PolarHBondContact O-N 3.39Å; Q153-A157 WeakPolarHBondContact O-CB 3.26Å; Q153-A157 PolarHBondContact O-N 2.89Å; Q153-L200 HydrophobicContact CG-CD1 4.43Å; Q153-L200 HydrophobicContact CG-CD2 3.91Å |
| 154 | L | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.8 | -67.7 | 176.8 | 0 | 0 | 0 | 111.9 | W150 R151 A157 E158 | W150-L154 HydrophobicContact CH2-CD2 4.45Å; W150-L154 HydrophobicContact CZ2-CD1 4.13Å; W150-L154 HydrophobicContact CZ2-CD2 4.19Å; W150-L154 HydrophobicContact CZ2-CG 4.36Å; W150-L154 WeakPolarHBondContact O-CG 3.31Å; W150-L154 PolarHBondContact O-N 2.93Å; W150-L154 VanDerWaalsContact O-N 3.14Å; R151-L154 PolarHBondContact O-N 3.26Å; L154-A157 PolarHBondContact O-N 3.24Å; L154-E158 PolarHBondContact O-N 3.23Å |
| 155 | W | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 177 | 169.4 | -131.5 | 0 | 0 | 0 | 112.2 | V78 W80 H83 F90 F92 R151 V152 Q153 A157 E158 L159 | V78-W155 HydrophobicContact CG1-CH2 4.43Å; V78-W155 HydrophobicContact CG1-CZ2 3.9Å; W80-W155 HydrophobicContact CB-CD2 4.37Å; W80-W155 HydrophobicContact CB-CZ2 4.31Å; W80-W155 AromaticContact CD1-CD1 3.99Å; W80-W155 AromaticContact CD1-CD2 3.35Å; W80-W155 AromaticContact CD1-CE2 3.74Å; W80-W155 AromaticContact CD1-CE3 3.66Å; W80-W155 AromaticContact CD1-CG 3.56Å; W80-W155 HydrophobicContact CD2-CB 4.07Å; W80-W155 AromaticContact CD2-CD1 3.69Å; W80-W155 HydrophobicContact CD2-CD2 4.31Å; W80-W155 AromaticContact CD2-CG 3.74Å; W80-W155 HydrophobicContact CD2-CG 3.74Å; W80-W155 VanDerWaalsContact CE2-CB 3.49Å; W80-W155 AromaticContact CE2-CG 3.63Å; W80-W155 HydrophobicContact CE3-CG 4.46Å; W80-W155 HydrophobicContact CG-CB 4.47Å; W80-W155 AromaticContact CG-CD1 3.71Å; W80-W155 AromaticContact CG-CD2 3.8Å; W80-W155 HydrophobicContact CG-CD2 3.8Å; W80-W155 AromaticContact CG-CE2 3.83Å; W80-W155 HydrophobicContact CG-CE3 4.5Å; W80-W155 AromaticContact CG-CG 3.74Å; W80-W155 HydrophobicContact CG-CG 3.74Å; W80-W155 AromaticContact CG-NE1 3.75Å; W80-W155 HydrophobicContact CH2-CB 4.33Å; W80-W155 HydrophobicContact CZ2-CB 3.65Å; W80-W155 HydrophobicContact CZ2-CG 4.26Å; W80-W155 AromaticContact NE1-CD2 3.69Å; W80-W155 AromaticContact NE1-CE3 3.94Å; W80-W155 AromaticContact NE1-CG 3.52Å; H83-W155 HydrophobicContact CB-CH2 3.24Å; H83-W155 HydrophobicContact CB-CZ2 4.17Å; H83-W155 HydrophobicContact CB-CZ3 3.57Å; H83-W155 AromaticContact CD2-CH2 3.77Å; H83-W155 AromaticContact CG-CH2 3.61Å; F90-W155 HydrophobicContact CD1-CE3 4.26Å; F90-W155 HydrophobicContact CD1-CZ3 4.19Å; F90-W155 AromaticContact CE1-CE3 3.95Å; F90-W155 HydrophobicContact CE1-CE3 3.95Å; F90-W155 HydrophobicContact CE1-CZ3 4.34Å; F92-W155 HydrophobicContact CE1-CH2 4.24Å; F92-W155 HydrophobicContact CE2-CZ3 4.44Å; F92-W155 AromaticContact CZ-CH2 3.8Å; F92-W155 HydrophobicContact CZ-CH2 3.8Å; F92-W155 AromaticContact CZ-CZ3 3.76Å; F92-W155 HydrophobicContact CZ-CZ3 3.76Å; R151-W155 PolarHBondContact O-N 3.46Å; V152-W155 PolarHBondContact O-N 2.86Å; Q153-W155 VanDerWaalsContact C-N 3.34Å; Q153-W155 PolarHBondContact O-N 3.34Å; W155-A157 PolarHBondContact O-N 3.49Å; W155-E158 PolarHBondContact O-N 3.29Å; W155-L159 HydrophobicContact CD2-CB 4.32Å; W155-L159 HydrophobicContact CE3-CB 4.35Å; W155-L159 HydrophobicContact CH2-CB 3.94Å; W155-L159 HydrophobicContact CH2-CD1 3.87Å; W155-L159 HydrophobicContact CH2-CD2 4.35Å; W155-L159 HydrophobicContact CH2-CG 4.23Å; W155-L159 HydrophobicContact CZ2-CB 3.94Å; W155-L159 HydrophobicContact CZ2-CD1 3.94Å; W155-L159 HydrophobicContact CZ2-CD2 3.63Å; W155-L159 HydrophobicContact CZ2-CG 4.01Å; W155-L159 HydrophobicContact CZ3-CB 4.16Å; W155-L159 WeakPolarHBondContact O-CB 3.3Å; W155-L159 PolarHBondContact O-N 2.95Å |
| 156 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -29.6 | 178.9 | -71.1 | -23.3 | 0 | 0 | 0 | 113.6 | G117 P118 V152 Q153 E158 L159 M160 L197 L200 F201 | G117-Y156 PolarHBondContact O-OH 3.38Å; P118-Y156 VanDerWaalsContact CD-OH 3.25Å; P118-Y156 WeakPolarHBondContact CD-OH 3.37Å; V152-Y156 HydrophobicContact CG1-CD2 3.86Å; V152-Y156 HydrophobicContact CG1-CE2 3.74Å; V152-Y156 PolarHBondContact O-N 3.28Å; Q153-Y156 PolarHBondContact O-N 3.39Å; Y156-E158 PolarHBondContact O-N 3.34Å; Y156-L159 HydrophobicContact CD1-CD2 4.08Å; Y156-L159 HydrophobicContact CE1-CD2 4.16Å; Y156-L159 PolarHBondContact O-N 3.42Å; Y156-M160 HydrophobicContact CD1-CE 3.46Å; Y156-M160 VanDerWaalsContact CD1-CE 3.46Å; Y156-M160 HydrophobicContact CD2-CE 3.99Å; Y156-M160 HydrophobicContact CE1-CE 3.9Å; Y156-M160 HydrophobicContact CE2-CE 4.4Å; Y156-M160 HydrophobicContact CG-CE 3.5Å; Y156-M160 VanDerWaalsContact CG-CE 3.5Å; Y156-M160 VanDerWaalsContact O-CB 3.23Å; Y156-M160 WeakPolarHBondContact O-CB 3.19Å; Y156-M160 WeakPolarHBondContact O-CG 3.44Å; Y156-M160 PolarHBondContact O-N 3.38Å; Y156-L197 HydrophobicContact CE2-CD2 4.26Å; Y156-L200 HydrophobicContact CD2-CD2 3.58Å; Y156-L200 HydrophobicContact CD2-CG 4Å; Y156-L200 HydrophobicContact CE2-CD2 4.33Å; Y156-F201 HydrophobicContact CE1-CZ 4.26Å; Y156-F201 HydrophobicContact CE2-CE1 4.5Å; Y156-F201 AromaticContact CE2-CE2 3.84Å; Y156-F201 HydrophobicContact CE2-CE2 3.84Å; Y156-F201 AromaticContact CE2-CZ 3.79Å; Y156-F201 HydrophobicContact CE2-CZ 3.79Å; Y156-F201 AromaticContact CZ-CE2 3.97Å; Y156-F201 AromaticContact CZ-CZ 3.52Å; Y156-F201 VanDerWaalsContact OH-CZ 3.23Å; Y156-F201 WeakPolarHBondContact OH-CZ 3.3Å |
| 157 | A | 97.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -33.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q153 L154 W155 P161 | Q153-A157 WeakPolarHBondContact O-CB 3.26Å; Q153-A157 PolarHBondContact O-N 2.89Å; L154-A157 PolarHBondContact O-N 3.24Å; W155-A157 PolarHBondContact O-N 3.49Å; A157-P161 WeakPolarHBondContact O-CD 3.03Å; A157-P161 WeakPolarHBondContact O-CG 3.39Å |
| 158 | E | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -82.8 | -43 | 174.9 | -178.5 | 62.8 | -149.1 | 0 | 0 | 113.1 | F90 F92 L154 W155 Y156 K162 | F90-E158 HydrophobicContact CB-CG 4.13Å; F90-E158 HydrophobicContact CD1-CB 4.24Å; F90-E158 HydrophobicContact CD1-CG 3.76Å; F90-E158 HydrophobicContact CD2-CB 4.34Å; F90-E158 HydrophobicContact CD2-CG 3.77Å; F90-E158 HydrophobicContact CE1-CB 4Å; F90-E158 HydrophobicContact CE1-CG 4.04Å; F90-E158 HydrophobicContact CE2-CB 4.1Å; F90-E158 HydrophobicContact CE2-CG 4.05Å; F90-E158 HydrophobicContact CG-CB 4.4Å; F90-E158 HydrophobicContact CG-CG 3.61Å; F90-E158 HydrophobicContact CZ-CB 3.92Å; F90-E158 HydrophobicContact CZ-CG 4.18Å; F92-E158 HydrophobicContact CE2-CG 3.86Å; F92-E158 HydrophobicContact CZ-CG 4.26Å; L154-E158 PolarHBondContact O-N 3.23Å; W155-E158 PolarHBondContact O-N 3.29Å; Y156-E158 PolarHBondContact O-N 3.34Å; E158-K162 WeakPolarHBondContact OE1-CE 3.47Å; E158-K162 IonicContact OE1-NZ 2.86Å; E158-K162 PolarHBondContact OE1-NZ 3.4Å |
| 159 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.5 | -43.2 | -174.2 | 177.8 | 65.8 | 0 | 0 | 0 | 112.4 | V78 F92 L98 P116 W155 Y156 K162 I163 | V78-L159 HydrophobicContact CG1-CD1 3.87Å; V78-L159 HydrophobicContact CG1-CD2 4.11Å; F92-L159 HydrophobicContact CE1-CD1 4.04Å; F92-L159 HydrophobicContact CZ-CD1 4.38Å; L98-L159 HydrophobicContact CD2-CD1 4.01Å; P116-L159 HydrophobicContact CB-CD2 3.89Å; W155-L159 HydrophobicContact CD2-CB 4.32Å; W155-L159 HydrophobicContact CE3-CB 4.35Å; W155-L159 HydrophobicContact CH2-CB 3.94Å; W155-L159 HydrophobicContact CH2-CD1 3.87Å; W155-L159 HydrophobicContact CH2-CD2 4.35Å; W155-L159 HydrophobicContact CH2-CG 4.23Å; W155-L159 HydrophobicContact CZ2-CB 3.94Å; W155-L159 HydrophobicContact CZ2-CD1 3.94Å; W155-L159 HydrophobicContact CZ2-CD2 3.63Å; W155-L159 HydrophobicContact CZ2-CG 4.01Å; W155-L159 HydrophobicContact CZ3-CB 4.16Å; W155-L159 WeakPolarHBondContact O-CB 3.3Å; W155-L159 PolarHBondContact O-N 2.95Å; Y156-L159 HydrophobicContact CD1-CD2 4.08Å; Y156-L159 HydrophobicContact CE1-CD2 4.16Å; Y156-L159 PolarHBondContact O-N 3.42Å; L159-K162 WeakPolarHBondContact O-CB 3.3Å; L159-K162 PolarHBondContact O-N 3.11Å; L159-I163 HydrophobicContact CD1-CD1 3.8Å; L159-I163 HydrophobicContact CD1-CG1 4.23Å; L159-I163 HydrophobicContact CD2-CD1 3.73Å; L159-I163 HydrophobicContact CG-CD1 3.48Å; L159-I163 VanDerWaalsContact CG-CD1 3.48Å; L159-I163 HydrophobicContact CG-CG1 4.29Å; L159-I163 PolarHBondContact O-N 3.14Å |
| 160 | M | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | -169.5 | -64.7 | -67.9 | 162.9 | 0 | 0 | 113.6 | Y156 K162 I163 I164 F201 H204 L205 | Y156-M160 HydrophobicContact CD1-CE 3.46Å; Y156-M160 VanDerWaalsContact CD1-CE 3.46Å; Y156-M160 HydrophobicContact CD2-CE 3.99Å; Y156-M160 HydrophobicContact CE1-CE 3.9Å; Y156-M160 HydrophobicContact CE2-CE 4.4Å; Y156-M160 HydrophobicContact CG-CE 3.5Å; Y156-M160 VanDerWaalsContact CG-CE 3.5Å; Y156-M160 VanDerWaalsContact O-CB 3.23Å; Y156-M160 WeakPolarHBondContact O-CB 3.19Å; Y156-M160 WeakPolarHBondContact O-CG 3.44Å; Y156-M160 PolarHBondContact O-N 3.38Å; M160-K162 PolarHBondContact O-N 3.26Å; M160-I163 PolarHBondContact O-N 3.12Å; M160-I164 HydrophobicContact CB-CD1 4.37Å; M160-I164 VanDerWaalsContact O-CG1 3.27Å; M160-I164 WeakPolarHBondContact O-CG1 3.23Å; M160-I164 PolarHBondContact O-N 3.02Å; M160-F201 HydrophobicContact CE-CD1 3.69Å; M160-F201 HydrophobicContact CE-CE1 3.42Å; M160-F201 VanDerWaalsContact CE-CE1 3.42Å; M160-F201 HydrophobicContact CE-CZ 4.23Å; M160-F201 HydrophobicContact SD-CD1 4.44Å; M160-H204 HydrophobicContact CB-CB 3.82Å; M160-H204 HydrophobicContact CG-CB 3.6Å; M160-H204 HydrophobicContact SD-CB 4.05Å; M160-L205 HydrophobicContact SD-CD2 3.71Å; M160-L205 HydrophobicContact SD-CG 4.14Å |
| 161 | P | 98.2 | Very high | 97.8 | Very high | 76 Ų | 76 | 42.6 Ų | 42.6 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.2 | -26.9 | 174.9 | -27.5 | 36.1 | 0 | 0 | 0 | 114.1 | A157 P165 | A157-P161 WeakPolarHBondContact O-CD 3.03Å; A157-P161 WeakPolarHBondContact O-CG 3.39Å; P161-P165 WeakPolarHBondContact O-CD 3.38Å |
| 162 | K | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.6 | -24.9 | 178.2 | -50 | -166.7 | -159.8 | -48.4 | 0 | 113 | F92 T99 E158 L159 M160 F166 | F92-K162 HydrophobicContact CD1-CD 3.62Å; F92-K162 HydrophobicContact CD2-CD 4Å; F92-K162 HydrophobicContact CE1-CD 3.65Å; F92-K162 HydrophobicContact CE2-CD 4Å; F92-K162 HydrophobicContact CG-CD 3.79Å; F92-K162 HydrophobicContact CZ-CD 3.83Å; F92-K162 VanDerWaalsContact CZ-CE 3.42Å; T99-K162 HydrophobicContact CG2-CB 3.93Å; T99-K162 WeakPolarHBondContact CG2-O 3.19Å; E158-K162 WeakPolarHBondContact OE1-CE 3.47Å; E158-K162 IonicContact OE1-NZ 2.86Å; E158-K162 PolarHBondContact OE1-NZ 3.4Å; L159-K162 WeakPolarHBondContact O-CB 3.3Å; L159-K162 PolarHBondContact O-N 3.11Å; M160-K162 PolarHBondContact O-N 3.26Å; K162-F166 VanDerWaalsContact O-CD2 3.28Å; K162-F166 WeakPolarHBondContact O-CD2 3.43Å |
| 163 | I | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90 | -36.2 | 179.4 | -67.6 | 169.3 | 0 | 0 | 0 | 111.8 | L98 L114 P116 L159 M160 P165 F166 L167 I174 | L98-I163 HydrophobicContact CD2-CD1 4.48Å; L98-I163 HydrophobicContact CD2-CG1 4.15Å; L114-I163 HydrophobicContact CD2-CB 4.46Å; L114-I163 HydrophobicContact CD2-CD1 3.49Å; L114-I163 VanDerWaalsContact CD2-CD1 3.49Å; L114-I163 HydrophobicContact CD2-CG1 3.86Å; L114-I163 HydrophobicContact CD2-CG2 3.7Å; P116-I163 HydrophobicContact CB-CD1 4.44Å; L159-I163 HydrophobicContact CD1-CD1 3.8Å; L159-I163 HydrophobicContact CD1-CG1 4.23Å; L159-I163 HydrophobicContact CD2-CD1 3.73Å; L159-I163 HydrophobicContact CG-CD1 3.48Å; L159-I163 VanDerWaalsContact CG-CD1 3.48Å; L159-I163 HydrophobicContact CG-CG1 4.29Å; L159-I163 PolarHBondContact O-N 3.14Å; M160-I163 PolarHBondContact O-N 3.12Å; I163-P165 VanDerWaalsContact C-CD 3.48Å; I163-P165 VanDerWaalsContact C-N 3.34Å; I163-F166 WeakPolarHBondContact O-CA 3.42Å; I163-F166 WeakPolarHBondContact O-CB 3.4Å; I163-F166 PolarHBondContact O-N 3.25Å; I163-L167 HydrophobicContact CG2-CD2 4.43Å; I163-L167 PolarHBondContact O-N 2.76Å; I163-I174 HydrophobicContact CG2-CD1 3.58Å |
| 164 | I | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 28% | 0.282 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -51.3 | -44.7 | -174.7 | -74.4 | 163.3 | 0 | 0 | 0 | 112.9 | M160 F166 L167 N170 H204 L205 | M160-I164 HydrophobicContact CB-CD1 4.37Å; M160-I164 VanDerWaalsContact O-CG1 3.27Å; M160-I164 WeakPolarHBondContact O-CG1 3.23Å; M160-I164 PolarHBondContact O-N 3.02Å; I164-F166 PolarHBondContact O-N 2.92Å; I164-F166 VanDerWaalsContact O-N 3.12Å; I164-L167 HydrophobicContact CG1-CD1 4.46Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 WeakPolarHBondContact O-CG 3.37Å; I164-L167 PolarHBondContact O-N 3.23Å; I164-L167 VanDerWaalsContact O-N 3.15Å; I164-N170 PolarHBondContact O-ND2 2.8Å; I164-H204 WeakPolarHBondContact CD1-O 3.35Å; I164-L205 HydrophobicContact CG1-CD2 4.08Å |
| 165 | P | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -60.5 | -22.7 | 176.4 | -25.3 | 35.7 | 0 | 0 | 0 | 114 | P161 I163 | P161-P165 WeakPolarHBondContact O-CD 3.38Å; I163-P165 VanDerWaalsContact C-CD 3.48Å; I163-P165 VanDerWaalsContact C-N 3.34Å |
| 166 | F | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 14% | 0.14 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -94.7 | 0.5 | -178.2 | -65.8 | -85.2 | 0 | 0 | 0 | 113.7 | T99 L102 F103 K162 I163 I164 G172 P173 I174 | T99-F166 HydrophobicContact CG2-CD2 4.49Å; T99-F166 HydrophobicContact CG2-CE2 3.7Å; T99-F166 HydrophobicContact CG2-CZ 4.4Å; T99-F166 VanDerWaalsContact O-CZ 3.26Å; T99-F166 WeakPolarHBondContact O-CZ 3.41Å; L102-F166 HydrophobicContact CB-CB 4.38Å; L102-F166 HydrophobicContact CB-CD1 3.49Å; L102-F166 VanDerWaalsContact CB-CD1 3.49Å; L102-F166 HydrophobicContact CB-CD2 4.41Å; L102-F166 HydrophobicContact CB-CE1 3.77Å; L102-F166 HydrophobicContact CB-CG 3.83Å; L102-F166 HydrophobicContact CB-CZ 4.34Å; L102-F166 HydrophobicContact CD1-CB 3.94Å; L102-F166 HydrophobicContact CD1-CD1 4.38Å; L102-F166 HydrophobicContact CD1-CD2 3.98Å; L102-F166 HydrophobicContact CD1-CG 3.84Å; L102-F166 HydrophobicContact CG-CG 4.48Å; F103-F166 HydrophobicContact CB-CE1 4.02Å; F103-F166 HydrophobicContact CB-CZ 4.43Å; K162-F166 VanDerWaalsContact O-CD2 3.28Å; K162-F166 WeakPolarHBondContact O-CD2 3.43Å; I163-F166 WeakPolarHBondContact O-CA 3.42Å; I163-F166 WeakPolarHBondContact O-CB 3.4Å; I163-F166 PolarHBondContact O-N 3.25Å; I164-F166 PolarHBondContact O-N 2.92Å; I164-F166 VanDerWaalsContact O-N 3.12Å; F166-G172 CarbonylContact O-C 3.56Å; F166-G172 VanDerWaalsContact O-C 3.27Å; F166-G172 VanDerWaalsContact O-CA 3.29Å; F166-G172 WeakPolarHBondContact O-CA 3.27Å; F166-P173 WeakPolarHBondContact O-CD 3.37Å; F166-P173 VanDerWaalsContact O-N 3.17Å; F166-I174 HydrophobicContact CB-CD1 3.66Å; F166-I174 HydrophobicContact CB-CG1 4.19Å; F166-I174 VanDerWaalsContact O-CB 3.31Å; F166-I174 WeakPolarHBondContact O-CB 3.41Å; F166-I174 WeakPolarHBondContact O-CG1 3.31Å; F166-I174 PolarHBondContact O-N 3.39Å |
| 167 | L | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 144.7 | 170.9 | -62.8 | 177.6 | 0 | 0 | 0 | 110.8 | I163 I164 R169 N170 G171 G172 I174 L205 V209 | I163-L167 HydrophobicContact CG2-CD2 4.43Å; I163-L167 PolarHBondContact O-N 2.76Å; I164-L167 HydrophobicContact CG1-CD1 4.46Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 WeakPolarHBondContact O-CG 3.37Å; I164-L167 PolarHBondContact O-N 3.23Å; I164-L167 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 HydrophobicContact CB-CG 4.17Å; L167-R169 PolarHBondContact O-N 2.8Å; L167-N170 HydrophobicContact CB-CB 4.41Å; L167-N170 CarbonylContact O-C 3.54Å; L167-N170 WeakPolarHBondContact O-CA 3.44Å; L167-N170 PolarHBondContact O-N 3.06Å; L167-G171 PolarHBondContact O-N 3.29Å; L167-G172 PolarHBondContact O-N 2.84Å; L167-I174 HydrophobicContact CD2-CB 4.43Å; L167-I174 HydrophobicContact CD2-CG2 4.22Å; L167-L205 HydrophobicContact CD1-CD2 4.22Å; L167-L205 HydrophobicContact CD2-CD2 4.35Å; L167-V209 HydrophobicContact CD1-CG2 3.99Å; L167-V209 HydrophobicContact CD2-CG2 3.98Å |
| 168 | Y | 97.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -54.6 | -45.1 | -177 | -167.7 | -101.6 | 0 | 0 | 0 | 113.3 | R24 S25 F26 K37 D38 N170 G171 G172 I174 I175 | R24-Y168 HydrophobicContact CB-CD1 4.1Å; R24-Y168 HydrophobicContact CB-CE1 3.85Å; R24-Y168 HydrophobicContact CG-CE1 4.43Å; R24-Y168 PolarHBondContact NE-O 2.73Å; R24-Y168 PolarHBondContact NH2-O 3.49Å; S25-Y168 WeakPolarHBondContact O-CE1 3.22Å; F26-Y168 HydrophobicContact CB-CD1 4.2Å; K37-Y168 HydrophobicContact CD-CE2 4.43Å; K37-Y168 VanDerWaalsContact CE-CZ 3.42Å; K37-Y168 WeakPolarHBondContact CE-OH 3.1Å; K37-Y168 HydrophobicContact CG-CE1 4.2Å; K37-Y168 HydrophobicContact CG-CE2 4.37Å; D38-Y168 VanDerWaalsContact OD1-CE1 3.26Å; D38-Y168 WeakPolarHBondContact OD1-CE1 3.32Å; D38-Y168 PolarHBondContact OD1-OH 2.89Å; D38-Y168 PolarHBondContact OD2-OH 2.78Å; Y168-N170 PolarHBondContact O-N 3.33Å; Y168-G171 PolarHBondContact O-N 3.29Å; Y168-G172 WeakPolarHBondContact CA-O 3.24Å; Y168-I174 VanDerWaalsContact CB-O 3.26Å; Y168-I174 WeakPolarHBondContact CB-O 3.15Å; Y168-I174 PolarHBondContact N-O 3.3Å; Y168-I175 HydrophobicContact CD2-CG2 3.65Å; Y168-I175 HydrophobicContact CE2-CG2 4.28Å; Y168-I175 HydrophobicContact CG-CG2 4Å |
| 169 | R | 94.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 27.2 Ų | 27.2 | 48% | 0.483 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -59.7 | -26.2 | 175.4 | 63.7 | 175.2 | -70 | 172.7 | 9.8 | 114.1 | L167 D208 | L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 HydrophobicContact CB-CG 4.17Å; L167-R169 PolarHBondContact O-N 2.8Å; R169-D208 IonicContact CZ-OD2 3.54Å; R169-D208 IonicContact NH1-OD2 2.76Å; R169-D208 PolarHBondContact NH1-OD2 2.69Å; R169-D208 IonicContact NH2-OD2 3.94Å |
| 170 | N | 95.5 | Very high | 97.8 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -96.7 | 10.3 | -177.3 | -66.9 | -18.2 | 0 | 0 | 0 | 112.5 | I164 L167 Y168 | I164-N170 PolarHBondContact O-ND2 2.8Å; L167-N170 HydrophobicContact CB-CB 4.41Å; L167-N170 CarbonylContact O-C 3.54Å; L167-N170 WeakPolarHBondContact O-CA 3.44Å; L167-N170 PolarHBondContact O-N 3.06Å; Y168-N170 PolarHBondContact O-N 3.33Å |
| 171 | G | 95.2 | Very high | 97.8 | Very high | 32 Ų | 32 | 27.7 Ų | 27.7 | 33% | 0.33 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -7.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | R24 L167 Y168 | R24-G171 PolarHBondContact NH1-O 3.02Å; L167-G171 PolarHBondContact O-N 3.29Å; Y168-G171 PolarHBondContact O-N 3.29Å |
| 172 | G | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -88.7 | -174.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R24 F166 L167 Y168 | R24-G172 PolarHBondContact NH2-O 2.56Å; F166-G172 CarbonylContact O-C 3.56Å; F166-G172 VanDerWaalsContact O-C 3.27Å; F166-G172 VanDerWaalsContact O-CA 3.29Å; F166-G172 WeakPolarHBondContact O-CA 3.27Å; L167-G172 PolarHBondContact O-N 2.84Å; Y168-G172 WeakPolarHBondContact CA-O 3.24Å |
| 173 | P | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.019 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -92.6 | -10.9 | -175.8 | 35.9 | -36.3 | 0 | 0 | 0 | 114.7 | N106 L110 S111 V112 F166 I175 | N106-P173 HydrophobicContact CB-CB 4.09Å; N106-P173 HydrophobicContact CB-CG 3.91Å; L110-P173 WeakPolarHBondContact O-CB 3.33Å; S111-P173 CarbonylContact C-O 3.27Å; S111-P173 WeakPolarHBondContact CA-O 3.37Å; V112-P173 HydrophobicContact CB-CB 4.31Å; V112-P173 HydrophobicContact CB-CG 4.27Å; V112-P173 HydrophobicContact CG2-CB 3.8Å; V112-P173 HydrophobicContact CG2-CG 3.67Å; V112-P173 PolarHBondContact N-O 3.45Å; F166-P173 WeakPolarHBondContact O-CD 3.37Å; F166-P173 VanDerWaalsContact O-N 3.17Å; P173-I175 PolarHBondContact O-N 3.05Å |
| 174 | I | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.6 | -170.2 | -59.3 | 168.4 | 0 | 0 | 0 | 111.4 | L102 V112 L114 I163 F166 L167 Y168 V177 | L102-I174 HydrophobicContact CD1-CD1 4.02Å; L102-I174 HydrophobicContact CD2-CD1 4.22Å; L102-I174 HydrophobicContact CD2-CG1 4.21Å; V112-I174 HydrophobicContact CB-CG1 3.94Å; V112-I174 HydrophobicContact CG1-CG1 3.91Å; V112-I174 CarbonylContact O-C 3.6Å; V112-I174 WeakPolarHBondContact O-CA 3.49Å; L114-I174 HydrophobicContact CB-CD1 4.49Å; L114-I174 HydrophobicContact CB-CG2 4.06Å; L114-I174 HydrophobicContact CD2-CD1 3.89Å; I163-I174 HydrophobicContact CG2-CD1 3.58Å; F166-I174 HydrophobicContact CB-CD1 3.66Å; F166-I174 HydrophobicContact CB-CG1 4.19Å; F166-I174 VanDerWaalsContact O-CB 3.31Å; F166-I174 WeakPolarHBondContact O-CB 3.41Å; F166-I174 WeakPolarHBondContact O-CG1 3.31Å; F166-I174 PolarHBondContact O-N 3.39Å; L167-I174 HydrophobicContact CD2-CB 4.43Å; L167-I174 HydrophobicContact CD2-CG2 4.22Å; Y168-I174 VanDerWaalsContact CB-O 3.26Å; Y168-I174 WeakPolarHBondContact CB-O 3.15Å; Y168-I174 PolarHBondContact N-O 3.3Å; I174-V177 HydrophobicContact CG2-CG2 3.8Å |
| 175 | I | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -30.4 | -178.6 | 55.2 | 166.6 | 0 | 0 | 0 | 113.2 | F26 Y42 V112 I113 Y168 P173 | F26-I175 HydrophobicContact CB-CB 4.25Å; F26-I175 HydrophobicContact CB-CG2 4.27Å; F26-I175 HydrophobicContact CD1-CB 3.91Å; F26-I175 WeakPolarHBondContact CD1-O 3.43Å; F26-I175 HydrophobicContact CD2-CB 3.75Å; F26-I175 HydrophobicContact CD2-CD1 4.34Å; F26-I175 HydrophobicContact CD2-CG2 3.82Å; F26-I175 HydrophobicContact CE1-CB 4.17Å; F26-I175 HydrophobicContact CE2-CB 4Å; F26-I175 HydrophobicContact CE2-CD1 3.77Å; F26-I175 HydrophobicContact CE2-CG1 4.42Å; F26-I175 HydrophobicContact CE2-CG2 4.34Å; F26-I175 HydrophobicContact CG-CB 3.68Å; F26-I175 HydrophobicContact CG-CG2 4.02Å; F26-I175 HydrophobicContact CZ-CB 4.2Å; F26-I175 HydrophobicContact CZ-CD1 3.88Å; F26-I175 HydrophobicContact CZ-CG1 4.42Å; Y42-I175 HydrophobicContact CE1-CD1 3.98Å; V112-I175 WeakPolarHBondContact O-CG1 3.41Å; V112-I175 PolarHBondContact O-N 2.96Å; I113-I175 HydrophobicContact CG1-CD1 4.31Å; I113-I175 HydrophobicContact CG1-CG1 4.3Å; Y168-I175 HydrophobicContact CD2-CG2 3.65Å; Y168-I175 HydrophobicContact CE2-CG2 4.28Å; Y168-I175 HydrophobicContact CG-CG2 4Å; P173-I175 PolarHBondContact O-N 3.05Å |
| 176 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.2 | -176.3 | -65 | 176.7 | 69.2 | 0 | 0 | 110.2 | F26 F35 Y44 I113 L114 T210 F212 | F26-M176 HydrophobicContact CD1-CG 4.14Å; F26-M176 HydrophobicContact CE1-CG 3.38Å; F26-M176 HydrophobicContact CE1-SD 3.86Å; F26-M176 HydrophobicContact CZ-CG 4Å; F26-M176 HydrophobicContact CZ-SD 4.01Å; F35-M176 HydrophobicContact CE1-CE 3.91Å; F35-M176 HydrophobicContact CE1-SD 3.86Å; F35-M176 HydrophobicContact CZ-CE 3.77Å; F35-M176 HydrophobicContact CZ-SD 3.81Å; Y44-M176 HydrophobicContact CE1-SD 3.75Å; I113-M176 HydrophobicContact CG1-CB 4.42Å; I113-M176 HydrophobicContact CG2-CB 4.25Å; L114-M176 PolarHBondContact N-O 2.77Å; M176-T210 WeakPolarHBondContact CA-O 3.23Å; M176-T210 HydrophobicContact CE-CG2 4.07Å; M176-T210 HydrophobicContact CG-CG2 3.99Å; M176-F212 HydrophobicContact CB-CD1 4.02Å; M176-F212 HydrophobicContact CB-CE1 3.9Å; M176-F212 HydrophobicContact CE-CB 4.16Å; M176-F212 HydrophobicContact CE-CD1 3.73Å; M176-F212 HydrophobicContact CE-CE1 4.23Å; M176-F212 HydrophobicContact CE-CG 3.92Å |
| 177 | V | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123.4 | 177.4 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L114 P116 I174 F201 L205 V209 T210 L211 F212 | L114-V177 HydrophobicContact CB-CG2 4.49Å; L114-V177 CarbonylContact O-C 3.57Å; L114-V177 VanDerWaalsContact O-CA 3.31Å; L114-V177 WeakPolarHBondContact O-CA 3.38Å; P116-V177 HydrophobicContact CG-CG1 3.66Å; I174-V177 HydrophobicContact CG2-CG2 3.8Å; V177-F201 HydrophobicContact CG1-CD1 3.99Å; V177-F201 HydrophobicContact CG1-CE1 3.77Å; V177-L205 HydrophobicContact CB-CD1 4.26Å; V177-L205 HydrophobicContact CG1-CD1 4.09Å; V177-L205 HydrophobicContact CG2-CD1 3.99Å; V177-V209 HydrophobicContact CB-CG1 4.13Å; V177-V209 HydrophobicContact CG2-CG1 3.74Å; V177-T210 PolarHBondContact N-O 2.8Å; V177-L211 HydrophobicContact CB-CD2 3.85Å; V177-L211 HydrophobicContact CG1-CD2 4.3Å; V177-L211 VanDerWaalsContact O-CA 3.31Å; V177-L211 WeakPolarHBondContact O-CA 3.45Å; V177-F212 WeakPolarHBondContact O-CD1 3.48Å; V177-F212 PolarHBondContact O-N 3.45Å; V177-F212 VanDerWaalsContact O-N 3.16Å |
| 178 | Q | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 146.7 | 178 | -166.2 | 173.2 | -57.6 | 0 | 0 | 111.6 | L114 R115 P116 E180 F212 T214 | L114-Q178 PolarHBondContact O-N 2.81Å; R115-Q178 HydrophobicContact CB-CB 4.14Å; R115-Q178 HydrophobicContact CG-CB 3.79Å; R115-Q178 VanDerWaalsContact NE-NE2 3.13Å; P116-Q178 WeakPolarHBondContact CD-O 3.37Å; Q178-E180 WeakPolarHBondContact CG-O 3.45Å; Q178-E180 PolarHBondContact NE2-O 3.49Å; Q178-F212 CarbonylContact C-O 3.53Å; Q178-F212 WeakPolarHBondContact CA-O 3.29Å; Q178-F212 HydrophobicContact CB-CD1 4.21Å; Q178-F212 HydrophobicContact CB-CD2 4.5Å; Q178-F212 HydrophobicContact CB-CE1 3.62Å; Q178-F212 HydrophobicContact CB-CE2 3.96Å; Q178-F212 HydrophobicContact CB-CZ 3.5Å; Q178-F212 VanDerWaalsContact CB-CZ 3.5Å; Q178-F212 HydrophobicContact CG-CD2 4.2Å; Q178-F212 HydrophobicContact CG-CE1 4.34Å; Q178-F212 HydrophobicContact CG-CE2 3.81Å; Q178-F212 HydrophobicContact CG-CZ 3.9Å; Q178-F212 VanDerWaalsContact N-CE1 3.33Å; Q178-T214 PolarHBondContact OE1-OG1 3.13Å; Q178-T214 VanDerWaalsContact OE1-OG1 3.06Å |
| 179 | I | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | trans | -105.9 | 123.4 | 168.8 | -63 | 157.5 | 0 | 0 | 0 | 109 | L197 A198 F201 L211 F212 I227 V229 | I179-L197 HydrophobicContact CG2-CB 3.71Å; I179-L197 HydrophobicContact CG2-CD1 4.04Å; I179-A198 HydrophobicContact CD1-CB 3.6Å; I179-F201 HydrophobicContact CB-CE2 4.45Å; I179-F201 HydrophobicContact CG1-CD2 3.68Å; I179-F201 HydrophobicContact CG1-CE2 3.94Å; I179-F201 HydrophobicContact CG1-CG 4.42Å; I179-F201 HydrophobicContact CG2-CE2 4.43Å; I179-L211 HydrophobicContact CD1-CB 3.93Å; I179-L211 HydrophobicContact CD1-CD1 4.01Å; I179-L211 HydrophobicContact CD1-CG 4.44Å; I179-F212 PolarHBondContact N-O 2.72Å; I179-I227 HydrophobicContact CD1-CD1 4.23Å; I179-I227 HydrophobicContact CG2-CD1 4.36Å; I179-V229 HydrophobicContact CD1-CB 4.3Å; I179-V229 HydrophobicContact CD1-CG1 3.69Å; I179-V229 HydrophobicContact CD1-CG2 4.01Å | ||
| 180 | E | 97.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 59.6 | -178.4 | 178.8 | -124.1 | -78.4 | 161.8 | 0 | 0 | 112.6 | G117 R142 Q178 Y183 Y193 T194 L197 | G117-E180 PolarHBondContact O-N 3.48Å; R142-E180 IonicContact CZ-OE1 2.63Å; R142-E180 IonicContact CZ-OE2 3.07Å; R142-E180 IonicContact NE-OE1 3.42Å; R142-E180 PolarHBondContact NE-OE1 3.17Å; R142-E180 IonicContact NE-OE2 3.82Å; R142-E180 VanDerWaalsContact NH2-CD 3.33Å; R142-E180 IonicContact NH2-OE1 3.73Å; R142-E180 PolarHBondContact NH2-OE1 3.02Å; R142-E180 VanDerWaalsContact NH2-OE1 3.16Å; R142-E180 IonicContact NH2-OE2 2.79Å; R142-E180 PolarHBondContact NH2-OE2 2.96Å; Q178-E180 WeakPolarHBondContact CG-O 3.45Å; Q178-E180 PolarHBondContact NE2-O 3.49Å; E180-Y183 VanDerWaalsContact CD-CD2 3.47Å; E180-Y183 HydrophobicContact CG-CD2 3.97Å; E180-Y183 HydrophobicContact CG-CG 4.4Å; E180-Y183 WeakPolarHBondContact OE2-CB 3.28Å; E180-Y193 HydrophobicContact CG-CE1 3.73Å; E180-T194 HydrophobicContact CG-CG2 4.45Å; E180-L197 HydrophobicContact CB-CD1 4.24Å; E180-L197 HydrophobicContact CG-CD1 3.85Å |
| 181 | N | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -136.5 | 116 | 175.6 | -177.9 | 66.2 | 0 | 0 | 0 | 111.5 | Y77 R115 F119 C121 R142 Y183 | Y77-N181 HydrophobicContact CE1-CB 4.33Å; Y77-N181 PolarHBondContact OH-OD1 3.25Å; R115-N181 PolarHBondContact NH2-OD1 3.26Å; F119-N181 HydrophobicContact CD1-CB 4.15Å; F119-N181 HydrophobicContact CE1-CB 4.49Å; F119-N181 WeakPolarHBondContact O-CB 3.46Å; C121-N181 WeakPolarHBondContact CB-ND2 3.48Å; R142-N181 PolarHBondContact NH2-O 3.32Å; N181-Y183 PolarHBondContact O-N 2.92Å |
| 182 | E | 97.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 28.6 Ų | 28.6 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 46.5 | 46.4 | 178.9 | -62.2 | -170.4 | 166 | 0 | 0 | 112.2 | G184 S185 T214 Y265 | E182-G184 PolarHBondContact O-N 3.49Å; E182-G184 VanDerWaalsContact O-N 3.15Å; E182-S185 WeakPolarHBondContact O-CB 3.5Å; E182-S185 PolarHBondContact O-N 2.94Å; E182-T214 WeakPolarHBondContact CA-O 3.15Å; E182-T214 PolarHBondContact N-O 3.4Å; E182-Y265 PolarHBondContact OE1-OH 2.82Å |
| 183 | Y | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -60.5 | -28.6 | -177 | -166.9 | -108.7 | 0 | 0 | 0 | 111.8 | R142 E180 N181 S185 Y186 D190 Y193 T194 D215 | R142-Y183 HydrophobicContact CB-CE2 4.1Å; R142-Y183 VanDerWaalsContact O-CE2 3.23Å; R142-Y183 WeakPolarHBondContact O-CE2 3.38Å; R142-Y183 PolarHBondContact O-OH 2.8Å; E180-Y183 VanDerWaalsContact CD-CD2 3.47Å; E180-Y183 HydrophobicContact CG-CD2 3.97Å; E180-Y183 HydrophobicContact CG-CG 4.4Å; E180-Y183 WeakPolarHBondContact OE2-CB 3.28Å; N181-Y183 PolarHBondContact O-N 2.92Å; Y183-S185 PolarHBondContact O-N 3.06Å; Y183-Y186 HydrophobicContact CD2-CD1 4.33Å; Y183-Y186 AromaticContact CE2-CD1 3.55Å; Y183-Y186 HydrophobicContact CE2-CD1 3.55Å; Y183-Y186 HydrophobicContact CE2-CE1 4.34Å; Y183-Y186 HydrophobicContact CE2-CG 4.25Å; Y183-Y186 AromaticContact CZ-CD1 3.97Å; Y183-Y186 VanDerWaalsContact O-CB 3.26Å; Y183-Y186 WeakPolarHBondContact O-CB 3.49Å; Y183-Y186 PolarHBondContact O-N 2.53Å; Y183-D190 WeakPolarHBondContact CE1-O 3.44Å; Y183-D190 VanDerWaalsContact OH-CB 3.28Å; Y183-D190 WeakPolarHBondContact OH-CB 3.37Å; Y183-D190 PolarHBondContact OH-N 2.89Å; Y183-Y193 HydrophobicContact CD2-CD1 4.27Å; Y183-Y193 HydrophobicContact CD2-CE1 4.04Å; Y183-Y193 HydrophobicContact CE1-CD1 4.37Å; Y183-Y193 AromaticContact CE2-CD1 3.57Å; Y183-Y193 HydrophobicContact CE2-CD1 3.57Å; Y183-Y193 AromaticContact CE2-CE1 3.61Å; Y183-Y193 HydrophobicContact CE2-CE1 3.61Å; Y183-Y193 AromaticContact CZ-CD1 3.64Å; Y183-T194 HydrophobicContact CD1-CG2 3.33Å; Y183-T194 HydrophobicContact CD2-CG2 4.12Å; Y183-T194 HydrophobicContact CE1-CG2 3.69Å; Y183-T194 HydrophobicContact CE2-CG2 4.43Å; Y183-T194 HydrophobicContact CG-CG2 3.57Å; Y183-D215 PolarHBondContact N-OD1 2.86Å; Y183-D215 VanDerWaalsContact N-OD1 3.12Å |
| 184 | G | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -58.8 | -21.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E182 D215 M221 | E182-G184 PolarHBondContact O-N 3.49Å; E182-G184 VanDerWaalsContact O-N 3.15Å; G184-D215 WeakPolarHBondContact CA-OD1 3.14Å; G184-D215 PolarHBondContact N-OD1 2.85Å; G184-M221 WeakPolarHBondContact CA-O 3.48Å |
| 185 | S | 95.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 40% | 0.399 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -85.3 | -11.9 | 173.9 | -63 | 0 | 0 | 0 | 0 | 112.7 | E182 Y183 | E182-S185 WeakPolarHBondContact O-CB 3.5Å; E182-S185 PolarHBondContact O-N 2.94Å; Y183-S185 PolarHBondContact O-N 3.06Å |
| 186 | Y | 96.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.1 | 132.8 | 179 | -165.3 | -123.9 | 0 | 0 | 0 | 111.1 | L141 R142 T143 Y183 E188 C189 F478 G479 Y480 | L141-Y186 PolarHBondContact O-OH 3.48Å; R142-Y186 HydrophobicContact CB-CD1 4.09Å; R142-Y186 HydrophobicContact CB-CE1 3.64Å; T143-Y186 HydrophobicContact CG2-CE1 4.31Å; Y183-Y186 HydrophobicContact CD2-CD1 4.33Å; Y183-Y186 AromaticContact CE2-CD1 3.55Å; Y183-Y186 HydrophobicContact CE2-CD1 3.55Å; Y183-Y186 HydrophobicContact CE2-CE1 4.34Å; Y183-Y186 HydrophobicContact CE2-CG 4.25Å; Y183-Y186 AromaticContact CZ-CD1 3.97Å; Y183-Y186 VanDerWaalsContact O-CB 3.26Å; Y183-Y186 WeakPolarHBondContact O-CB 3.49Å; Y183-Y186 PolarHBondContact O-N 2.53Å; Y186-E188 VanDerWaalsContact C-N 3.28Å; Y186-E188 HydrophobicContact CD1-CB 3.88Å; Y186-E188 HydrophobicContact CD1-CG 4.43Å; Y186-E188 VanDerWaalsContact CD1-OE2 3.31Å; Y186-E188 WeakPolarHBondContact CD1-OE2 3.38Å; Y186-E188 HydrophobicContact CE1-CB 3.75Å; Y186-E188 VanDerWaalsContact CE1-CD 3.45Å; Y186-E188 HydrophobicContact CE1-CG 3.86Å; Y186-E188 WeakPolarHBondContact CE1-OE2 3.25Å; Y186-E188 WeakPolarHBondContact CE2-OE2 3.36Å; Y186-E188 VanDerWaalsContact CZ-CD 3.5Å; Y186-E188 PolarHBondContact O-N 3.43Å; Y186-C189 PolarHBondContact O-N 3.12Å; Y186-F478 WeakPolarHBondContact CD2-O 3.18Å; Y186-G479 PolarHBondContact OH-O 3.5Å; Y186-Y480 HydrophobicContact CD2-CE1 4.08Å; Y186-Y480 AromaticContact CE2-CD1 3.77Å; Y186-Y480 HydrophobicContact CE2-CD1 3.77Å; Y186-Y480 AromaticContact CE2-CE1 3.33Å; Y186-Y480 HydrophobicContact CE2-CE1 3.33Å; Y186-Y480 AromaticContact CE2-CZ 3.8Å; Y186-Y480 AromaticContact CZ-CE1 3.95Å |
| 187 | K | 94.9 | Very high | 97.5 | Very high | 144 Ų | 144 | 32.3 Ų | 32.3 | 63% | 0.626 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27 | -167.7 | 70.2 | -178.2 | -176 | -152 | 0 | 113.2 | Y480 | K187-Y480 HydrophobicContact CD-CE1 3.78Å; K187-Y480 WeakPolarHBondContact CD-OH 3.34Å; K187-Y480 HydrophobicContact CG-CE1 3.98Å; K187-Y480 VanDerWaalsContact CG-OH 3.28Å; K187-Y480 WeakPolarHBondContact CG-OH 3.5Å; K187-Y480 VanDerWaalsContact NZ-CE1 3.25Å |
| 188 | E | 96 | Very high | 97.5 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 24% | 0.243 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.2 | -175.4 | -77.9 | 73.8 | -173.3 | 0 | 0 | 112.7 | T143 Y186 D190 | T143-E188 HydrophobicContact CG2-CB 4.02Å; T143-E188 HydrophobicContact CG2-CG 3.8Å; Y186-E188 VanDerWaalsContact C-N 3.28Å; Y186-E188 HydrophobicContact CD1-CB 3.88Å; Y186-E188 HydrophobicContact CD1-CG 4.43Å; Y186-E188 VanDerWaalsContact CD1-OE2 3.31Å; Y186-E188 WeakPolarHBondContact CD1-OE2 3.38Å; Y186-E188 HydrophobicContact CE1-CB 3.75Å; Y186-E188 VanDerWaalsContact CE1-CD 3.45Å; Y186-E188 HydrophobicContact CE1-CG 3.86Å; Y186-E188 WeakPolarHBondContact CE1-OE2 3.25Å; Y186-E188 WeakPolarHBondContact CE2-OE2 3.36Å; Y186-E188 VanDerWaalsContact CZ-CD 3.5Å; Y186-E188 PolarHBondContact O-N 3.43Å; E188-D190 PolarHBondContact O-N 2.86Å; E188-D190 VanDerWaalsContact O-N 3.1Å |
| 189 | C | 96.5 | Very high | 97.4 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 28% | 0.284 | 21% | 0.209 | S | C | . | . | trans | 47.6 | 39.7 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | Y186 Q191 C224 | Y186-C189 PolarHBondContact O-N 3.12Å; C189-Q191 PolarHBondContact O-N 3.38Å; C189-Q191 VanDerWaalsContact O-N 3.1Å; C189-C224 HydrophobicContact CB-CB 3.91Å; C189-C224 WeakPolarHBondContact CB-SG 3.16Å; C189-C224 WeakPolarHBondContact SG-CA 3.34Å; C189-C224 WeakPolarHBondContact SG-CB 3.24Å; C189-C224 CovalentContact SG-SG 2.04Å; C189-C224 PolarHBondContact SG-SG 3.47Å | ||
| 190 | D | 97.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 15% | 0.15 | 21% | 0.214 | C | C | . | . | trans | -78.7 | 93 | -179.5 | -178.9 | -9.9 | 0 | 0 | 0 | 110 | T143 S144 Y183 E188 T192 Y193 T194 | T143-D190 WeakPolarHBondContact CB-OD2 3.3Å; S144-D190 VanDerWaalsContact CB-OD2 3.29Å; S144-D190 WeakPolarHBondContact CB-OD2 3.23Å; S144-D190 PolarHBondContact N-OD2 2.79Å; S144-D190 PolarHBondContact OG-OD2 2.98Å; Y183-D190 WeakPolarHBondContact CE1-O 3.44Å; Y183-D190 VanDerWaalsContact OH-CB 3.28Å; Y183-D190 WeakPolarHBondContact OH-CB 3.37Å; Y183-D190 PolarHBondContact OH-N 2.89Å; E188-D190 PolarHBondContact O-N 2.86Å; E188-D190 VanDerWaalsContact O-N 3.1Å; D190-T192 PolarHBondContact O-N 2.87Å; D190-T192 WeakPolarHBondContact OD1-CA 3.38Å; D190-T192 VanDerWaalsContact OD1-CB 3.24Å; D190-T192 WeakPolarHBondContact OD1-CB 3.34Å; D190-T192 PolarHBondContact OD1-N 3.02Å; D190-Y193 WeakPolarHBondContact O-CB 3.18Å; D190-Y193 PolarHBondContact O-N 2.97Å; D190-Y193 PolarHBondContact OD1-N 3.25Å; D190-T194 PolarHBondContact O-N 3.22Å | ||
| 191 | Q | 96.5 | Very high | 97.4 | Very high | 92 Ų | 92 | 37 Ų | 37 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.6 | -17.6 | 178 | -69.1 | -175.8 | -56.4 | 0 | 0 | 113.2 | C189 Y193 T194 A195 K223 S226 | C189-Q191 PolarHBondContact O-N 3.38Å; C189-Q191 VanDerWaalsContact O-N 3.1Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.49Å; Q191-T194 PolarHBondContact O-OG1 3.45Å; Q191-A195 WeakPolarHBondContact O-CB 3.25Å; Q191-A195 PolarHBondContact O-N 2.9Å; Q191-K223 PolarHBondContact NE2-O 2.96Å; Q191-K223 VanDerWaalsContact NE2-O 3.12Å; Q191-S226 PolarHBondContact NE2-O 2.97Å |
| 192 | T | 98.1 | Very high | 97.4 | Very high | 92 Ų | 92 | 41 Ų | 41 | 56% | 0.564 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66.1 | -39.5 | 171.6 | -59.4 | 0 | 0 | 0 | 0 | 110 | D190 S196 | D190-T192 PolarHBondContact O-N 2.87Å; D190-T192 WeakPolarHBondContact OD1-CA 3.38Å; D190-T192 VanDerWaalsContact OD1-CB 3.24Å; D190-T192 WeakPolarHBondContact OD1-CB 3.34Å; D190-T192 PolarHBondContact OD1-N 3.02Å; T192-S196 VanDerWaalsContact O-CB 3.28Å; T192-S196 WeakPolarHBondContact O-CB 3.15Å; T192-S196 PolarHBondContact O-N 3.43Å; T192-S196 PolarHBondContact O-OG 3.48Å |
| 193 | Y | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -55.9 | 172.9 | 165.2 | -117.8 | 0 | 0 | 0 | 112.7 | P118 R142 T143 F148 M149 E180 Y183 D190 Q191 A195 S196 L197 | P118-Y193 WeakPolarHBondContact CG-OH 3.14Å; R142-Y193 HydrophobicContact CB-CE1 4.08Å; R142-Y193 VanDerWaalsContact O-CD1 3.3Å; R142-Y193 WeakPolarHBondContact O-CD1 3.38Å; T143-Y193 WeakPolarHBondContact O-CD2 3.48Å; F148-Y193 HydrophobicContact CD1-CE2 4.11Å; F148-Y193 HydrophobicContact CE1-CD2 4.5Å; F148-Y193 AromaticContact CE1-CE2 3.58Å; F148-Y193 HydrophobicContact CE1-CE2 3.58Å; F148-Y193 AromaticContact CE1-CZ 3.83Å; M149-Y193 HydrophobicContact SD-CD2 3.48Å; M149-Y193 WeakPolarHBondContact SD-CD2 3.39Å; M149-Y193 HydrophobicContact SD-CE2 3.69Å; E180-Y193 HydrophobicContact CG-CE1 3.73Å; Y183-Y193 HydrophobicContact CD2-CD1 4.27Å; Y183-Y193 HydrophobicContact CD2-CE1 4.04Å; Y183-Y193 HydrophobicContact CE1-CD1 4.37Å; Y183-Y193 AromaticContact CE2-CD1 3.57Å; Y183-Y193 HydrophobicContact CE2-CD1 3.57Å; Y183-Y193 AromaticContact CE2-CE1 3.61Å; Y183-Y193 HydrophobicContact CE2-CE1 3.61Å; Y183-Y193 AromaticContact CZ-CD1 3.64Å; D190-Y193 WeakPolarHBondContact O-CB 3.18Å; D190-Y193 PolarHBondContact O-N 2.97Å; D190-Y193 PolarHBondContact OD1-N 3.25Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Y193-A195 VanDerWaalsContact C-N 3.35Å; Y193-A195 PolarHBondContact O-N 3.25Å; Y193-S196 WeakPolarHBondContact O-CB 3.29Å; Y193-S196 PolarHBondContact O-N 2.86Å; Y193-S196 VanDerWaalsContact O-N 3.09Å; Y193-L197 HydrophobicContact CD2-CD1 4.47Å; Y193-L197 HydrophobicContact CD2-CG 4.19Å; Y193-L197 HydrophobicContact CE1-CD1 3.95Å; Y193-L197 HydrophobicContact CE2-CD1 3.75Å; Y193-L197 HydrophobicContact CE2-CD2 3.86Å; Y193-L197 HydrophobicContact CE2-CG 3.74Å; Y193-L197 VanDerWaalsContact CZ-CD1 3.47Å; Y193-L197 PolarHBondContact O-N 2.76Å |
| 194 | T | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.1 | -35.4 | -176.2 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | E180 Y183 D190 Q191 S196 L197 A198 I227 | E180-T194 HydrophobicContact CG-CG2 4.45Å; Y183-T194 HydrophobicContact CD1-CG2 3.33Å; Y183-T194 HydrophobicContact CD2-CG2 4.12Å; Y183-T194 HydrophobicContact CE1-CG2 3.69Å; Y183-T194 HydrophobicContact CE2-CG2 4.43Å; Y183-T194 HydrophobicContact CG-CG2 3.57Å; D190-T194 PolarHBondContact O-N 3.22Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.49Å; Q191-T194 PolarHBondContact O-OG1 3.45Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-L197 WeakPolarHBondContact O-CB 3.42Å; T194-L197 PolarHBondContact O-N 2.85Å; T194-A198 PolarHBondContact O-N 2.95Å; T194-I227 VanDerWaalsContact O-CD1 3.26Å; T194-I227 WeakPolarHBondContact O-CD1 3.29Å; T194-I227 WeakPolarHBondContact OG1-CG2 3.49Å |
| 195 | A | 98.1 | Very high | 97.3 | Very high | 44 Ų | 44 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q191 Y193 A198 S199 | Q191-A195 WeakPolarHBondContact O-CB 3.25Å; Q191-A195 PolarHBondContact O-N 2.9Å; Y193-A195 VanDerWaalsContact C-N 3.35Å; Y193-A195 PolarHBondContact O-N 3.25Å; A195-A198 PolarHBondContact O-N 3.06Å; A195-S199 PolarHBondContact O-N 2.88Å; A195-S199 PolarHBondContact O-OG 2.76Å |
| 196 | S | 98.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | T192 Y193 T194 S199 L200 | T192-S196 VanDerWaalsContact O-CB 3.28Å; T192-S196 WeakPolarHBondContact O-CB 3.15Å; T192-S196 PolarHBondContact O-N 3.43Å; T192-S196 PolarHBondContact O-OG 3.48Å; Y193-S196 WeakPolarHBondContact O-CB 3.29Å; Y193-S196 PolarHBondContact O-N 2.86Å; Y193-S196 VanDerWaalsContact O-N 3.09Å; T194-S196 VanDerWaalsContact C-N 3.34Å; S196-S199 PolarHBondContact O-N 3.38Å; S196-L200 WeakPolarHBondContact O-CB 3.2Å; S196-L200 PolarHBondContact O-N 3.16Å |
| 197 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 171.4 | -68.1 | -175.9 | 0 | 0 | 0 | 111 | P118 M149 V152 Y156 I179 E180 Y193 T194 S199 L200 F201 | P118-L197 HydrophobicContact CG-CD2 4.48Å; M149-L197 HydrophobicContact CE-CD2 4.29Å; M149-L197 HydrophobicContact SD-CD2 4.48Å; V152-L197 HydrophobicContact CG1-CD2 3.7Å; Y156-L197 HydrophobicContact CE2-CD2 4.26Å; I179-L197 HydrophobicContact CG2-CB 3.71Å; I179-L197 HydrophobicContact CG2-CD1 4.04Å; E180-L197 HydrophobicContact CB-CD1 4.24Å; E180-L197 HydrophobicContact CG-CD1 3.85Å; Y193-L197 HydrophobicContact CD2-CD1 4.47Å; Y193-L197 HydrophobicContact CD2-CG 4.19Å; Y193-L197 HydrophobicContact CE1-CD1 3.95Å; Y193-L197 HydrophobicContact CE2-CD1 3.75Å; Y193-L197 HydrophobicContact CE2-CD2 3.86Å; Y193-L197 HydrophobicContact CE2-CG 3.74Å; Y193-L197 VanDerWaalsContact CZ-CD1 3.47Å; Y193-L197 PolarHBondContact O-N 2.76Å; T194-L197 WeakPolarHBondContact O-CB 3.42Å; T194-L197 PolarHBondContact O-N 2.85Å; L197-S199 VanDerWaalsContact C-N 3.27Å; L197-S199 PolarHBondContact O-N 3.01Å; L197-L200 WeakPolarHBondContact O-CB 3.5Å; L197-L200 PolarHBondContact O-N 3.27Å; L197-F201 HydrophobicContact CB-CE2 4.49Å; L197-F201 WeakPolarHBondContact O-CD2 3.21Å; L197-F201 PolarHBondContact O-N 2.96Å |
| 198 | A | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 47 Ų | 47 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | I179 T194 A195 L200 F201 R202 I227 V229 | I179-A198 HydrophobicContact CD1-CB 3.6Å; T194-A198 PolarHBondContact O-N 2.95Å; A195-A198 PolarHBondContact O-N 3.06Å; A198-L200 VanDerWaalsContact C-N 3.35Å; A198-L200 PolarHBondContact O-N 2.89Å; A198-F201 PolarHBondContact O-N 3.33Å; A198-R202 VanDerWaalsContact O-CG 3.3Å; A198-R202 WeakPolarHBondContact O-CG 3.47Å; A198-R202 PolarHBondContact O-N 2.95Å; A198-I227 HydrophobicContact CB-CD1 3.72Å; A198-V229 HydrophobicContact CB-CG1 4.1Å |
| 199 | S | 97.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 51% | 0.51 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | A195 S196 L197 R202 V203 | A195-S199 PolarHBondContact O-N 2.88Å; A195-S199 PolarHBondContact O-OG 2.76Å; S196-S199 PolarHBondContact O-N 3.38Å; L197-S199 VanDerWaalsContact C-N 3.27Å; L197-S199 PolarHBondContact O-N 3.01Å; S199-R202 WeakPolarHBondContact O-CB 3.2Å; S199-R202 PolarHBondContact O-N 3.28Å; S199-V203 WeakPolarHBondContact O-CG2 3.47Å; S199-V203 PolarHBondContact O-N 3.08Å |
| 200 | L | 97.8 | Very high | 96.9 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.8 | -176.6 | 55.5 | 0 | 0 | 0 | 112.1 | V152 Q153 Y156 S196 L197 A198 R202 V203 H204 | V152-L200 HydrophobicContact CG1-CD2 4.23Å; Q153-L200 HydrophobicContact CG-CD1 4.43Å; Q153-L200 HydrophobicContact CG-CD2 3.91Å; Y156-L200 HydrophobicContact CD2-CD2 3.58Å; Y156-L200 HydrophobicContact CD2-CG 4Å; Y156-L200 HydrophobicContact CE2-CD2 4.33Å; S196-L200 WeakPolarHBondContact O-CB 3.2Å; S196-L200 PolarHBondContact O-N 3.16Å; L197-L200 WeakPolarHBondContact O-CB 3.5Å; L197-L200 PolarHBondContact O-N 3.27Å; A198-L200 VanDerWaalsContact C-N 3.35Å; A198-L200 PolarHBondContact O-N 2.89Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 3.42Å; L200-V203 PolarHBondContact O-N 3.19Å; L200-H204 PolarHBondContact O-CD2 3.3Å; L200-H204 VanDerWaalsContact O-CD2 3.24Å; L200-H204 PolarHBondContact O-N 3.08Å |
| 201 | F | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 171.6 | -81.5 | -75.4 | 0 | 0 | 0 | 112 | P116 Y156 M160 V177 I179 L197 A198 V203 H204 L205 L211 | P116-F201 HydrophobicContact CB-CE1 4.41Å; P116-F201 HydrophobicContact CG-CE1 3.41Å; P116-F201 VanDerWaalsContact CG-CE1 3.41Å; P116-F201 HydrophobicContact CG-CZ 3.59Å; Y156-F201 HydrophobicContact CE1-CZ 4.26Å; Y156-F201 HydrophobicContact CE2-CE1 4.5Å; Y156-F201 AromaticContact CE2-CE2 3.84Å; Y156-F201 HydrophobicContact CE2-CE2 3.84Å; Y156-F201 AromaticContact CE2-CZ 3.79Å; Y156-F201 HydrophobicContact CE2-CZ 3.79Å; Y156-F201 AromaticContact CZ-CE2 3.97Å; Y156-F201 AromaticContact CZ-CZ 3.52Å; Y156-F201 VanDerWaalsContact OH-CZ 3.23Å; Y156-F201 WeakPolarHBondContact OH-CZ 3.3Å; M160-F201 HydrophobicContact CE-CD1 3.69Å; M160-F201 HydrophobicContact CE-CE1 3.42Å; M160-F201 VanDerWaalsContact CE-CE1 3.42Å; M160-F201 HydrophobicContact CE-CZ 4.23Å; M160-F201 HydrophobicContact SD-CD1 4.44Å; V177-F201 HydrophobicContact CG1-CD1 3.99Å; V177-F201 HydrophobicContact CG1-CE1 3.77Å; I179-F201 HydrophobicContact CB-CE2 4.45Å; I179-F201 HydrophobicContact CG1-CD2 3.68Å; I179-F201 HydrophobicContact CG1-CE2 3.94Å; I179-F201 HydrophobicContact CG1-CG 4.42Å; I179-F201 HydrophobicContact CG2-CE2 4.43Å; L197-F201 HydrophobicContact CB-CE2 4.49Å; L197-F201 WeakPolarHBondContact O-CD2 3.21Å; L197-F201 PolarHBondContact O-N 2.96Å; A198-F201 PolarHBondContact O-N 3.33Å; F201-V203 VanDerWaalsContact C-N 3.34Å; F201-V203 PolarHBondContact O-N 3.02Å; F201-H204 PolarHBondContact O-N 3.01Å; F201-L205 HydrophobicContact CD1-CD1 3.78Å; F201-L205 HydrophobicContact CD1-CG 4.49Å; F201-L205 VanDerWaalsContact O-CB 3.25Å; F201-L205 WeakPolarHBondContact O-CB 3.14Å; F201-L205 WeakPolarHBondContact O-CG 3.05Å; F201-L205 PolarHBondContact O-N 2.92Å; F201-L211 HydrophobicContact CB-CD1 3.96Å; F201-L211 HydrophobicContact CB-CD2 4.28Å |
| 202 | R | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.8 | -72 | -67.3 | -178.5 | -150.3 | 1.7 | 112.6 | A198 S199 L200 H204 G206 P207 V209 L211 | A198-R202 VanDerWaalsContact O-CG 3.3Å; A198-R202 WeakPolarHBondContact O-CG 3.47Å; A198-R202 PolarHBondContact O-N 2.95Å; S199-R202 WeakPolarHBondContact O-CB 3.2Å; S199-R202 PolarHBondContact O-N 3.28Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 3.42Å; R202-H204 VanDerWaalsContact C-N 3.31Å; R202-H204 PolarHBondContact O-N 3.46Å; R202-G206 WeakPolarHBondContact CD-O 3.47Å; R202-G206 PolarHBondContact NH1-O 3.33Å; R202-G206 VanDerWaalsContact NH1-O 3.14Å; R202-G206 VanDerWaalsContact O-CA 3.29Å; R202-G206 WeakPolarHBondContact O-CA 3.18Å; R202-G206 PolarHBondContact O-N 3.21Å; R202-P207 PolarHBondContact NH1-O 2.79Å; R202-V209 PolarHBondContact NH1-O 3.14Å; R202-V209 PolarHBondContact NH2-O 2.88Å; R202-L211 HydrophobicContact CG-CD1 4Å |
| 203 | V | 97.1 | Very high | 97.1 | Very high | 119 Ų | 119 | 34.1 Ų | 34.1 | 72% | 0.721 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.7 | -42 | 175.9 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | S199 L200 F201 | S199-V203 WeakPolarHBondContact O-CG2 3.47Å; S199-V203 PolarHBondContact O-N 3.08Å; L200-V203 PolarHBondContact O-N 3.19Å; F201-V203 VanDerWaalsContact C-N 3.34Å; F201-V203 PolarHBondContact O-N 3.02Å |
| 204 | H | 97.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.255 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -84.2 | -40.3 | -177.9 | -74.2 | -70.8 | 0 | 0 | 0 | 114.5 | M160 I164 L200 F201 R202 | M160-H204 HydrophobicContact CB-CB 3.82Å; M160-H204 HydrophobicContact CG-CB 3.6Å; M160-H204 HydrophobicContact SD-CB 4.05Å; I164-H204 WeakPolarHBondContact CD1-O 3.35Å; L200-H204 PolarHBondContact O-CD2 3.3Å; L200-H204 VanDerWaalsContact O-CD2 3.24Å; L200-H204 PolarHBondContact O-N 3.08Å; F201-H204 PolarHBondContact O-N 3.01Å; R202-H204 VanDerWaalsContact C-N 3.31Å; R202-H204 PolarHBondContact O-N 3.46Å |
| 205 | L | 97 | Very high | 97.2 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -100.8 | -13.3 | -168.8 | -55.8 | -174.5 | 0 | 0 | 0 | 113.5 | M160 I164 L167 V177 F201 V209 | M160-L205 HydrophobicContact SD-CD2 3.71Å; M160-L205 HydrophobicContact SD-CG 4.14Å; I164-L205 HydrophobicContact CG1-CD2 4.08Å; L167-L205 HydrophobicContact CD1-CD2 4.22Å; L167-L205 HydrophobicContact CD2-CD2 4.35Å; V177-L205 HydrophobicContact CB-CD1 4.26Å; V177-L205 HydrophobicContact CG1-CD1 4.09Å; V177-L205 HydrophobicContact CG2-CD1 3.99Å; F201-L205 HydrophobicContact CD1-CD1 3.78Å; F201-L205 HydrophobicContact CD1-CG 4.49Å; F201-L205 VanDerWaalsContact O-CB 3.25Å; F201-L205 WeakPolarHBondContact O-CB 3.14Å; F201-L205 WeakPolarHBondContact O-CG 3.05Å; F201-L205 PolarHBondContact O-N 2.92Å; L205-V209 HydrophobicContact CB-CB 4.26Å; L205-V209 HydrophobicContact CB-CG2 3.93Å; L205-V209 HydrophobicContact CD1-CG1 4.28Å; L205-V209 WeakPolarHBondContact O-CG2 3.36Å |
| 206 | G | 94.7 | Very high | 97.2 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | trans | 83.5 | 179 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R202 D208 | R202-G206 WeakPolarHBondContact CD-O 3.47Å; R202-G206 PolarHBondContact NH1-O 3.33Å; R202-G206 VanDerWaalsContact NH1-O 3.14Å; R202-G206 VanDerWaalsContact O-CA 3.29Å; R202-G206 WeakPolarHBondContact O-CA 3.18Å; R202-G206 PolarHBondContact O-N 3.21Å; G206-D208 VanDerWaalsContact C-N 3.34Å; G206-D208 PolarHBondContact O-N 2.77Å | ||
| 207 | P | 92.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 33 Ų | 33 | 64% | 0.643 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -74.6 | -23.2 | -174.8 | 29.7 | -34.5 | 0 | 0 | 0 | 113.5 | R202 | R202-P207 PolarHBondContact NH1-O 2.79Š|
| 208 | D | 90.1 | Very high | 97.1 | Very high | 96 Ų | 96 | 35.2 Ų | 35.2 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -87 | -16.4 | -166.9 | -48.3 | -49.5 | 0 | 0 | 0 | 113.9 | R169 G206 T210 | R169-D208 IonicContact CZ-OD2 3.54Å; R169-D208 IonicContact NH1-OD2 2.76Å; R169-D208 PolarHBondContact NH1-OD2 2.69Å; R169-D208 IonicContact NH2-OD2 3.94Å; G206-D208 VanDerWaalsContact C-N 3.34Å; G206-D208 PolarHBondContact O-N 2.77Å; D208-T210 PolarHBondContact O-N 3.34Å |
| 209 | V | 96.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.1 | 130.4 | 179 | 176 | 0 | 0 | 0 | 0 | 109.8 | L167 V177 R202 L205 L211 | L167-V209 HydrophobicContact CD1-CG2 3.99Å; L167-V209 HydrophobicContact CD2-CG2 3.98Å; V177-V209 HydrophobicContact CB-CG1 4.13Å; V177-V209 HydrophobicContact CG2-CG1 3.74Å; R202-V209 PolarHBondContact NH1-O 3.14Å; R202-V209 PolarHBondContact NH2-O 2.88Å; L205-V209 HydrophobicContact CB-CB 4.26Å; L205-V209 HydrophobicContact CB-CG2 3.93Å; L205-V209 HydrophobicContact CD1-CG1 4.28Å; L205-V209 WeakPolarHBondContact O-CG2 3.36Å; V209-L211 HydrophobicContact CG1-CD2 4.03Å; V209-L211 PolarHBondContact O-N 3.25Å; V209-L211 VanDerWaalsContact O-N 3.1Å |
| 210 | T | 97.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.5 | 175.8 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | F26 I28 F35 M176 V177 D208 | F26-T210 HydrophobicContact CE1-CG2 4.35Å; I28-T210 HydrophobicContact CD1-CG2 3.93Å; I28-T210 HydrophobicContact CG1-CG2 4.18Å; F35-T210 HydrophobicContact CE1-CG2 4.49Å; M176-T210 WeakPolarHBondContact CA-O 3.23Å; M176-T210 HydrophobicContact CE-CG2 4.07Å; M176-T210 HydrophobicContact CG-CG2 3.99Å; V177-T210 PolarHBondContact N-O 2.8Å; D208-T210 PolarHBondContact O-N 3.34Å |
| 211 | L | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142.9 | 175.3 | -57.5 | -178 | 0 | 0 | 0 | 110.5 | V177 I179 F201 R202 V209 V229 Y230 | V177-L211 HydrophobicContact CB-CD2 3.85Å; V177-L211 HydrophobicContact CG1-CD2 4.3Å; V177-L211 VanDerWaalsContact O-CA 3.31Å; V177-L211 WeakPolarHBondContact O-CA 3.45Å; I179-L211 HydrophobicContact CD1-CB 3.93Å; I179-L211 HydrophobicContact CD1-CD1 4.01Å; I179-L211 HydrophobicContact CD1-CG 4.44Å; F201-L211 HydrophobicContact CB-CD1 3.96Å; F201-L211 HydrophobicContact CB-CD2 4.28Å; R202-L211 HydrophobicContact CG-CD1 4Å; V209-L211 HydrophobicContact CG1-CD2 4.03Å; V209-L211 PolarHBondContact O-N 3.25Å; V209-L211 VanDerWaalsContact O-N 3.1Å; L211-V229 HydrophobicContact CB-CB 3.99Å; L211-V229 HydrophobicContact CB-CG1 3.84Å; L211-V229 HydrophobicContact CD1-CG1 4.39Å; L211-Y230 PolarHBondContact O-N 2.95Å; L211-Y230 VanDerWaalsContact O-N 3.08Å |
| 212 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.6 | 179 | 75.8 | -78.3 | 0 | 0 | 0 | 112.8 | I113 M176 V177 Q178 I179 T214 Y230 T232 | I113-F212 HydrophobicContact CG2-CE1 3.64Å; I113-F212 HydrophobicContact CG2-CZ 3.46Å; I113-F212 VanDerWaalsContact CG2-CZ 3.46Å; M176-F212 HydrophobicContact CB-CD1 4.02Å; M176-F212 HydrophobicContact CB-CE1 3.9Å; M176-F212 HydrophobicContact CE-CB 4.16Å; M176-F212 HydrophobicContact CE-CD1 3.73Å; M176-F212 HydrophobicContact CE-CE1 4.23Å; M176-F212 HydrophobicContact CE-CG 3.92Å; V177-F212 WeakPolarHBondContact O-CD1 3.48Å; V177-F212 PolarHBondContact O-N 3.45Å; V177-F212 VanDerWaalsContact O-N 3.16Å; Q178-F212 CarbonylContact C-O 3.53Å; Q178-F212 WeakPolarHBondContact CA-O 3.29Å; Q178-F212 HydrophobicContact CB-CD1 4.21Å; Q178-F212 HydrophobicContact CB-CD2 4.5Å; Q178-F212 HydrophobicContact CB-CE1 3.62Å; Q178-F212 HydrophobicContact CB-CE2 3.96Å; Q178-F212 HydrophobicContact CB-CZ 3.5Å; Q178-F212 VanDerWaalsContact CB-CZ 3.5Å; Q178-F212 HydrophobicContact CG-CD2 4.2Å; Q178-F212 HydrophobicContact CG-CE1 4.34Å; Q178-F212 HydrophobicContact CG-CE2 3.81Å; Q178-F212 HydrophobicContact CG-CZ 3.9Å; Q178-F212 VanDerWaalsContact N-CE1 3.33Å; I179-F212 PolarHBondContact N-O 2.72Å; F212-T214 WeakPolarHBondContact CE2-OG1 3.26Å; F212-Y230 CarbonylContact C-O 3.56Å; F212-Y230 WeakPolarHBondContact CA-O 3.29Å; F212-Y230 WeakPolarHBondContact CB-O 3.18Å; F212-T232 HydrophobicContact CB-CG2 4.18Å; F212-T232 HydrophobicContact CD2-CG2 3.77Å; F212-T232 HydrophobicContact CG-CG2 4.36Å |
| 213 | T | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 155.5 | 169 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | I227 V229 Y230 T232 | T213-I227 HydrophobicContact CG2-CD1 4.35Å; T213-I227 HydrophobicContact CG2-CG1 4.04Å; T213-V229 HydrophobicContact CG2-CG2 3.57Å; T213-Y230 PolarHBondContact N-O 3.32Å; T213-T232 WeakPolarHBondContact O-CB 3.41Å; T213-T232 PolarHBondContact O-N 2.9Å; T213-T232 PolarHBondContact O-OG1 3.25Å |
| 214 | T | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.7 | 175.6 | -70.1 | 0 | 0 | 0 | 0 | 109 | Q178 E182 F212 T232 D234 S262 E263 | Q178-T214 PolarHBondContact OE1-OG1 3.13Å; Q178-T214 VanDerWaalsContact OE1-OG1 3.06Å; E182-T214 WeakPolarHBondContact CA-O 3.15Å; E182-T214 PolarHBondContact N-O 3.4Å; F212-T214 WeakPolarHBondContact CE2-OG1 3.26Å; T214-T232 PolarHBondContact OG1-OG1 2.62Å; T214-T232 VanDerWaalsContact OG1-OG1 3.14Å; T214-D234 HydrophobicContact CG2-CB 4.18Å; T214-D234 WeakPolarHBondContact CG2-OD2 3.25Å; T214-S262 WeakPolarHBondContact CB-OG 3.31Å; T214-S262 WeakPolarHBondContact CG2-OG 3.32Å; T214-S262 WeakPolarHBondContact OG1-CB 3.39Å; T214-S262 PolarHBondContact OG1-OG 3.3Å; T214-E263 HydrophobicContact CG2-CG 4.35Å |
| 215 | D | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 152.7 | 179 | -61.6 | -76.7 | 0 | 0 | 0 | 111.3 | Y183 G184 H217 M221 V222 G225 T232 V233 D234 | Y183-D215 PolarHBondContact N-OD1 2.86Å; Y183-D215 VanDerWaalsContact N-OD1 3.12Å; G184-D215 WeakPolarHBondContact CA-OD1 3.14Å; G184-D215 PolarHBondContact N-OD1 2.85Å; D215-H217 PolarHBondContact O-N 2.99Å; D215-M221 HydrophobicContact CB-CB 4.4Å; D215-V222 HydrophobicContact CB-CG2 4.27Å; D215-G225 WeakPolarHBondContact OD2-CA 3.41Å; D215-T232 PolarHBondContact N-O 3.18Å; D215-V233 CarbonylContact O-C 3.48Å; D215-V233 VanDerWaalsContact O-CA 3.25Å; D215-V233 WeakPolarHBondContact O-CA 3.39Å; D215-D234 PolarHBondContact O-N 3.27Å |
| 216 | G | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 141.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | S218 M221 V222 D234 | G216-S218 PolarHBondContact O-N 3.17Å; G216-M221 VanDerWaalsContact O-CB 3.31Å; G216-M221 WeakPolarHBondContact O-CB 3.43Å; G216-V222 WeakPolarHBondContact O-CG2 3.4Å; G216-D234 VanDerWaalsContact CA-OD1 3.32Å; G216-D234 WeakPolarHBondContact CA-OD1 3.06Å; G216-D234 PolarHBondContact N-OD2 3Å; G216-D234 VanDerWaalsContact N-OD2 3.13Å |
| 217 | H | 97.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.4 | 39.4 | -171.9 | 63.9 | -76.8 | 0 | 0 | 0 | 116 | D215 V233 D234 F235 A246 I249 | D215-H217 PolarHBondContact O-N 2.99Å; H217-V233 HydrophobicContact CB-CB 4.1Å; H217-V233 HydrophobicContact CB-CG1 4.29Å; H217-D234 PolarHBondContact ND1-O 3.08Å; H217-F235 HydrophobicContact CB-CD1 4.36Å; H217-A246 HydrophobicContact CB-CB 3.68Å; H217-I249 WeakPolarHBondContact O-CG1 3.49Å |
| 218 | S | 98.2 | Very high | 96.7 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -109.8 | 149 | 171.4 | 76.7 | 0 | 0 | 0 | 0 | 111.4 | G216 K220 M221 V222 | G216-S218 PolarHBondContact O-N 3.17Å; S218-K220 PolarHBondContact O-N 2.88Å; S218-K220 VanDerWaalsContact O-N 3.17Å; S218-M221 PolarHBondContact O-N 3Å; S218-M221 WeakPolarHBondContact OG-CB 2.8Å; S218-M221 VanDerWaalsContact OG-CG 3.31Å; S218-M221 WeakPolarHBondContact OG-CG 3.33Å; S218-M221 PolarHBondContact OG-N 2.78Å; S218-M221 PolarHBondContact OG-SD 2.97Å; S218-M221 VanDerWaalsContact OG-SD 3.39Å; S218-V222 WeakPolarHBondContact O-CG2 3.39Å; S218-V222 PolarHBondContact O-N 3.19Å |
| 219 | L | 97.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 39.6 Ų | 39.6 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.5 | -40.1 | 175.7 | -75.2 | 176.7 | 0 | 0 | 0 | 112.2 | K223 I249 Y252 F253 | L219-K223 WeakPolarHBondContact O-CB 3.47Å; L219-K223 PolarHBondContact O-N 3.37Å; L219-I249 HydrophobicContact CD2-CD1 3.68Å; L219-I249 HydrophobicContact CD2-CG2 4.46Å; L219-I249 HydrophobicContact CG-CD1 3.7Å; L219-Y252 HydrophobicContact CD2-CD1 4.1Å; L219-Y252 HydrophobicContact CD2-CE1 4.46Å; L219-Y252 HydrophobicContact CD2-CG 4.36Å; L219-F253 HydrophobicContact CD2-CE2 4.03Å; L219-F253 HydrophobicContact CD2-CZ 4.43Å |
| 220 | K | 97.5 | Very high | 97.1 | Very high | 162 Ų | 162 | 39.4 Ų | 39.4 | 70% | 0.704 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.8 | -49 | -178.6 | -179 | -175.8 | 173.9 | -173.7 | 0 | 111.6 | S218 C224 | S218-K220 PolarHBondContact O-N 2.88Å; S218-K220 VanDerWaalsContact O-N 3.17Å; K220-C224 PolarHBondContact O-N 2.78Å |
| 221 | M | 98 | Very high | 97.2 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -53.2 | -177.6 | -73 | 163.1 | 168.1 | 0 | 0 | 110.3 | G184 D215 G216 S218 K223 C224 G225 | G184-M221 WeakPolarHBondContact CA-O 3.48Å; D215-M221 HydrophobicContact CB-CB 4.4Å; G216-M221 VanDerWaalsContact O-CB 3.31Å; G216-M221 WeakPolarHBondContact O-CB 3.43Å; S218-M221 PolarHBondContact O-N 3Å; S218-M221 WeakPolarHBondContact OG-CB 2.8Å; S218-M221 VanDerWaalsContact OG-CG 3.31Å; S218-M221 WeakPolarHBondContact OG-CG 3.33Å; S218-M221 PolarHBondContact OG-N 2.78Å; S218-M221 PolarHBondContact OG-SD 2.97Å; S218-M221 VanDerWaalsContact OG-SD 3.39Å; M221-K223 VanDerWaalsContact C-N 3.3Å; M221-K223 PolarHBondContact O-N 3.41Å; M221-C224 PolarHBondContact O-N 3.18Å; M221-G225 PolarHBondContact O-N 3.5Å |
| 222 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | -179.3 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | D215 G216 S218 C224 G225 S226 P231 V233 I249 F253 | D215-V222 HydrophobicContact CB-CG2 4.27Å; G216-V222 WeakPolarHBondContact O-CG2 3.4Å; S218-V222 WeakPolarHBondContact O-CG2 3.39Å; S218-V222 PolarHBondContact O-N 3.19Å; V222-C224 VanDerWaalsContact C-N 3.3Å; V222-C224 PolarHBondContact O-N 3.37Å; V222-G225 PolarHBondContact O-N 3.06Å; V222-S226 WeakPolarHBondContact O-CA 3.35Å; V222-S226 WeakPolarHBondContact O-CB 3.46Å; V222-S226 PolarHBondContact O-N 3.31Å; V222-S226 PolarHBondContact O-OG 2.98Å; V222-P231 HydrophobicContact CG1-CB 4.37Å; V222-V233 HydrophobicContact CG2-CG1 3.94Å; V222-I249 HydrophobicContact CB-CG2 4.13Å; V222-I249 HydrophobicContact CG2-CG2 3.7Å; V222-F253 HydrophobicContact CB-CD2 3.8Å; V222-F253 HydrophobicContact CB-CE2 3.72Å; V222-F253 HydrophobicContact CB-CZ 4.42Å; V222-F253 HydrophobicContact CG1-CB 4.11Å; V222-F253 HydrophobicContact CG1-CD1 4.44Å; V222-F253 HydrophobicContact CG1-CD2 3.28Å; V222-F253 HydrophobicContact CG1-CE2 3.74Å; V222-F253 HydrophobicContact CG1-CG 3.69Å |
| 223 | K | 97.2 | Very high | 97.2 | Very high | 142 Ų | 142 | 39 Ų | 39 | 62% | 0.617 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.3 | -41.6 | 174 | -177.6 | 176.6 | 179.3 | 179.7 | 0 | 112.7 | Q191 L219 M221 F253 | Q191-K223 PolarHBondContact NE2-O 2.96Å; Q191-K223 VanDerWaalsContact NE2-O 3.12Å; L219-K223 WeakPolarHBondContact O-CB 3.47Å; L219-K223 PolarHBondContact O-N 3.37Å; M221-K223 VanDerWaalsContact C-N 3.3Å; M221-K223 PolarHBondContact O-N 3.41Å; K223-F253 HydrophobicContact CB-CE1 3.94Å; K223-F253 HydrophobicContact CB-CZ 3.74Å; K223-F253 HydrophobicContact CG-CE1 4.38Å |
| 224 | C | 96.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.5 | -39.9 | -179.1 | -83.7 | 0 | 0 | 0 | 0 | 112.9 | C189 K220 M221 V222 | C189-C224 HydrophobicContact CB-CB 3.91Å; C189-C224 WeakPolarHBondContact CB-SG 3.16Å; C189-C224 WeakPolarHBondContact SG-CA 3.34Å; C189-C224 WeakPolarHBondContact SG-CB 3.24Å; C189-C224 CovalentContact SG-SG 2.04Å; C189-C224 PolarHBondContact SG-SG 3.47Å; K220-C224 PolarHBondContact O-N 2.78Å; M221-C224 PolarHBondContact O-N 3.18Å; V222-C224 VanDerWaalsContact C-N 3.3Å; V222-C224 PolarHBondContact O-N 3.37Å |
| 225 | G | 95.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -81.4 | -30.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D215 M221 V222 | D215-G225 WeakPolarHBondContact OD2-CA 3.41Å; M221-G225 PolarHBondContact O-N 3.5Å; V222-G225 PolarHBondContact O-N 3.06Å |
| 226 | S | 92.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | trans | -67.2 | 138.5 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | Q191 V222 | Q191-S226 PolarHBondContact NE2-O 2.97Å; V222-S226 WeakPolarHBondContact O-CA 3.35Å; V222-S226 WeakPolarHBondContact O-CB 3.46Å; V222-S226 PolarHBondContact O-N 3.31Å; V222-S226 PolarHBondContact O-OG 2.98Å | ||
| 227 | I | 94 | Very high | 97.2 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | trans | -140.3 | -170.1 | 175.5 | 59.5 | -178.1 | 0 | 0 | 0 | 108.2 | I179 T194 A198 T213 V229 | I179-I227 HydrophobicContact CD1-CD1 4.23Å; I179-I227 HydrophobicContact CG2-CD1 4.36Å; T194-I227 VanDerWaalsContact O-CD1 3.26Å; T194-I227 WeakPolarHBondContact O-CD1 3.29Å; T194-I227 WeakPolarHBondContact OG1-CG2 3.49Å; A198-I227 HydrophobicContact CB-CD1 3.72Å; T213-I227 HydrophobicContact CG2-CD1 4.35Å; T213-I227 HydrophobicContact CG2-CG1 4.04Å; I227-V229 HydrophobicContact CD1-CG1 4.42Å; I227-V229 HydrophobicContact CD1-CG2 4.13Å; I227-V229 HydrophobicContact CG1-CB 4.44Å; I227-V229 HydrophobicContact CG1-CG1 4.31Å; I227-V229 HydrophobicContact CG1-CG2 3.63Å; I227-V229 PolarHBondContact O-N 3.34Å | ||
| 228 | S | 92.6 | Very high | 97.2 | Very high | 132 Ų | 132 | 40 Ų | 40 | 92% | 0.923 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -69.8 | 34.3 | 179.9 | -49.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 229 | V | 97.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -126.8 | 177.1 | 172.5 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | I179 A198 L211 T213 I227 P231 | I179-V229 HydrophobicContact CD1-CB 4.3Å; I179-V229 HydrophobicContact CD1-CG1 3.69Å; I179-V229 HydrophobicContact CD1-CG2 4.01Å; A198-V229 HydrophobicContact CB-CG1 4.1Å; L211-V229 HydrophobicContact CB-CB 3.99Å; L211-V229 HydrophobicContact CB-CG1 3.84Å; L211-V229 HydrophobicContact CD1-CG1 4.39Å; T213-V229 HydrophobicContact CG2-CG2 3.57Å; I227-V229 HydrophobicContact CD1-CG1 4.42Å; I227-V229 HydrophobicContact CD1-CG2 4.13Å; I227-V229 HydrophobicContact CG1-CB 4.44Å; I227-V229 HydrophobicContact CG1-CG1 4.31Å; I227-V229 HydrophobicContact CG1-CG2 3.63Å; I227-V229 PolarHBondContact O-N 3.34Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å |
| 230 | Y | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.1 | -174.2 | -162.2 | -110.3 | 0 | 0 | 0 | 112.3 | I28 Y30 L211 F212 T213 T232 Q250 A254 G257 P258 V260 | I28-Y230 HydrophobicContact CD1-CD1 4.07Å; I28-Y230 HydrophobicContact CD1-CD2 3.61Å; I28-Y230 HydrophobicContact CD1-CE2 4.22Å; I28-Y230 HydrophobicContact CD1-CG 3.55Å; Y30-Y230 HydrophobicContact CE1-CD2 4.3Å; Y30-Y230 HydrophobicContact CE1-CE2 4.21Å; L211-Y230 PolarHBondContact O-N 2.95Å; L211-Y230 VanDerWaalsContact O-N 3.08Å; F212-Y230 CarbonylContact C-O 3.56Å; F212-Y230 WeakPolarHBondContact CA-O 3.29Å; F212-Y230 WeakPolarHBondContact CB-O 3.18Å; T213-Y230 PolarHBondContact N-O 3.32Å; Y230-T232 HydrophobicContact CD1-CG2 3.93Å; Y230-T232 HydrophobicContact CE1-CG2 4.32Å; Y230-Q250 PolarHBondContact OH-NE2 3.14Å; Y230-A254 HydrophobicContact CE2-CB 3.89Å; Y230-G257 WeakPolarHBondContact OH-CA 3.44Å; Y230-G257 PolarHBondContact OH-O 2.93Å; Y230-P258 HydrophobicContact CE1-CG 4.24Å; Y230-P258 VanDerWaalsContact CE1-O 3.29Å; Y230-P258 WeakPolarHBondContact CE1-O 3.2Å; Y230-P258 PolarHBondContact OH-O 2.92Å; Y230-V260 HydrophobicContact CE1-CG2 4.36Å |
| 231 | P | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.4 | 176.9 | 32.5 | -34.1 | 0 | 0 | 0 | 110.8 | V222 V229 Q250 F253 A254 | V222-P231 HydrophobicContact CG1-CB 4.37Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-Q250 WeakPolarHBondContact O-CG 3.32Å; P231-Q250 PolarHBondContact O-NE2 2.91Å; P231-F253 HydrophobicContact CB-CB 4.47Å; P231-F253 HydrophobicContact CG-CB 3.96Å; P231-A254 HydrophobicContact CG-CB 3.72Å |
| 232 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 165.9 | 171.2 | 74.7 | 0 | 0 | 0 | 0 | 109.8 | F212 T213 T214 D215 Y230 V260 S262 | F212-T232 HydrophobicContact CB-CG2 4.18Å; F212-T232 HydrophobicContact CD2-CG2 3.77Å; F212-T232 HydrophobicContact CG-CG2 4.36Å; T213-T232 WeakPolarHBondContact O-CB 3.41Å; T213-T232 PolarHBondContact O-N 2.9Å; T213-T232 PolarHBondContact O-OG1 3.25Å; T214-T232 PolarHBondContact OG1-OG1 2.62Å; T214-T232 VanDerWaalsContact OG1-OG1 3.14Å; D215-T232 PolarHBondContact N-O 3.18Å; Y230-T232 HydrophobicContact CD1-CG2 3.93Å; Y230-T232 HydrophobicContact CE1-CG2 4.32Å; T232-V260 HydrophobicContact CG2-CB 3.61Å; T232-V260 HydrophobicContact CG2-CG1 3.63Å; T232-V260 HydrophobicContact CG2-CG2 4.18Å; T232-S262 VanDerWaalsContact OG1-CB 3.29Å; T232-S262 WeakPolarHBondContact OG1-CB 3.4Å; T232-S262 PolarHBondContact OG1-OG 3.17Å |
| 233 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 158.7 | -179.2 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | D215 H217 V222 F235 F247 Q250 V260 N261 S262 | D215-V233 CarbonylContact O-C 3.48Å; D215-V233 VanDerWaalsContact O-CA 3.25Å; D215-V233 WeakPolarHBondContact O-CA 3.39Å; H217-V233 HydrophobicContact CB-CB 4.1Å; H217-V233 HydrophobicContact CB-CG1 4.29Å; V222-V233 HydrophobicContact CG2-CG1 3.94Å; V233-F235 HydrophobicContact CG2-CD1 4.18Å; V233-F235 HydrophobicContact CG2-CE1 3.86Å; V233-F247 HydrophobicContact CG2-CD1 4.09Å; V233-F247 HydrophobicContact CG2-CE1 4.18Å; V233-Q250 HydrophobicContact CG1-CB 3.95Å; V233-Q250 HydrophobicContact CG1-CG 4.49Å; V233-Q250 HydrophobicContact CG2-CB 4.23Å; V233-V260 PolarHBondContact N-O 2.92Å; V233-N261 CarbonylContact O-C 3.55Å; V233-N261 VanDerWaalsContact O-CA 3.23Å; V233-N261 WeakPolarHBondContact O-CA 3.13Å; V233-N261 PolarHBondContact O-OD1 2.94Å; V233-S262 PolarHBondContact O-N 3.21Å; V233-S262 PolarHBondContact O-OG 3.03Å |
| 234 | D | 98.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149.1 | 167.8 | 59.7 | 67.1 | 0 | 0 | 0 | 113.1 | T214 D215 G216 H217 N261 E263 Y265 | T214-D234 HydrophobicContact CG2-CB 4.18Å; T214-D234 WeakPolarHBondContact CG2-OD2 3.25Å; D215-D234 PolarHBondContact O-N 3.27Å; G216-D234 VanDerWaalsContact CA-OD1 3.32Å; G216-D234 WeakPolarHBondContact CA-OD1 3.06Å; G216-D234 PolarHBondContact N-OD2 3Å; G216-D234 VanDerWaalsContact N-OD2 3.13Å; H217-D234 PolarHBondContact ND1-O 3.08Å; D234-N261 WeakPolarHBondContact CA-OD1 3.44Å; D234-E263 HydrophobicContact CB-CB 3.68Å; D234-E263 HydrophobicContact CB-CG 4.39Å; D234-Y265 HydrophobicContact CB-CE2 4.15Å; D234-Y265 WeakPolarHBondContact CB-OH 3.37Å; D234-Y265 PolarHBondContact OD1-OH 3.09Å |
| 235 | F | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | trans | -173 | 154 | 174.4 | 52.6 | -94.4 | 0 | 0 | 0 | 113 | H217 V233 M238 V243 A246 F247 N261 E263 F264 T287 M291 | H217-F235 HydrophobicContact CB-CD1 4.36Å; V233-F235 HydrophobicContact CG2-CD1 4.18Å; V233-F235 HydrophobicContact CG2-CE1 3.86Å; F235-M238 HydrophobicContact CB-CE 3.56Å; F235-M238 HydrophobicContact CD2-CE 3.93Å; F235-M238 HydrophobicContact CD2-CG 4.48Å; F235-M238 HydrophobicContact CD2-SD 4Å; F235-M238 HydrophobicContact CG-CE 3.99Å; F235-M238 HydrophobicContact CG-SD 4.38Å; F235-V243 HydrophobicContact CE2-CG1 4.29Å; F235-V243 HydrophobicContact CE2-CG2 4.27Å; F235-V243 HydrophobicContact CZ-CG1 4.15Å; F235-A246 HydrophobicContact CD1-CB 3.62Å; F235-A246 HydrophobicContact CE1-CB 3.6Å; F235-A246 HydrophobicContact CG-CB 4.32Å; F235-A246 HydrophobicContact CZ-CB 4.29Å; F235-F247 HydrophobicContact CE1-CD1 4.46Å; F235-F247 HydrophobicContact CE1-CE1 4.04Å; F235-F247 HydrophobicContact CE1-CZ 4.11Å; F235-F247 HydrophobicContact CZ-CE1 4.1Å; F235-F247 AromaticContact CZ-CE2 3.93Å; F235-F247 HydrophobicContact CZ-CE2 3.93Å; F235-F247 AromaticContact CZ-CZ 3.68Å; F235-F247 HydrophobicContact CZ-CZ 3.68Å; F235-N261 VanDerWaalsContact CD2-ND2 3.29Å; F235-N261 WeakPolarHBondContact CD2-ND2 3.29Å; F235-N261 HydrophobicContact CE1-CB 3.99Å; F235-N261 HydrophobicContact CE2-CB 4.49Å; F235-N261 WeakPolarHBondContact CE2-ND2 3.21Å; F235-N261 HydrophobicContact CZ-CB 3.93Å; F235-N261 WeakPolarHBondContact CZ-ND2 3.44Å; F235-N261 PolarHBondContact N-OD1 3.17Å; F235-N261 PolarHBondContact O-ND2 3.41Å; F235-E263 PolarHBondContact N-O 3.28Å; F235-F264 WeakPolarHBondContact O-CA 3.49Å; F235-F264 WeakPolarHBondContact O-CD2 3.39Å; F235-T287 HydrophobicContact CE2-CG2 4.2Å; F235-M291 HydrophobicContact CE2-CG 4.22Å; F235-M291 HydrophobicContact CE2-SD 3.82Å; F235-M291 HydrophobicContact CZ-CG 4.23Å; F235-M291 HydrophobicContact CZ-SD 3.92Å | ||
| 236 | G | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | trans | -92.5 | -165.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M238 | G236-M238 PolarHBondContact O-N 3.16Š| ||
| 237 | P | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -56.5 | 131.3 | 178.9 | -29.5 | 35.1 | 0 | 0 | 0 | 114 | F264 Y265 T279 P283 V284 T287 | P237-F264 HydrophobicContact CG-CE2 4.22Å; P237-F264 HydrophobicContact CG-CZ 4.34Å; P237-Y265 WeakPolarHBondContact CD-O 3.34Å; P237-T279 HydrophobicContact CG-CG2 3.84Å; P237-P283 HydrophobicContact CB-CB 3.65Å; P237-V284 HydrophobicContact CG-CB 4.5Å; P237-V284 HydrophobicContact CG-CG2 3.69Å; P237-T287 WeakPolarHBondContact CA-OG1 3.38Å |
| 238 | M | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | trans | -159.9 | 168.2 | 178.8 | 59.8 | -177.7 | 61.6 | 0 | 0 | 111.3 | F235 G236 R242 V243 T287 | F235-M238 HydrophobicContact CB-CE 3.56Å; F235-M238 HydrophobicContact CD2-CE 3.93Å; F235-M238 HydrophobicContact CD2-CG 4.48Å; F235-M238 HydrophobicContact CD2-SD 4Å; F235-M238 HydrophobicContact CG-CE 3.99Å; F235-M238 HydrophobicContact CG-SD 4.38Å; G236-M238 PolarHBondContact O-N 3.16Å; M238-R242 HydrophobicContact CB-CB 4.05Å; M238-R242 HydrophobicContact CG-CB 4Å; M238-R242 HydrophobicContact SD-CB 3.48Å; M238-R242 WeakPolarHBondContact SD-CB 3.43Å; M238-V243 HydrophobicContact CG-CG2 3.64Å; M238-V243 HydrophobicContact SD-CG2 4.22Å; M238-T287 HydrophobicContact CG-CG2 4.49Å; M238-T287 PolarHBondContact N-OG1 3.22Å; M238-T287 PolarHBondContact O-OG1 2.88Å | ||
| 239 | N | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 38.7 Ų | 38.7 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | trans | -70.7 | 163.6 | 176.3 | 69.3 | 48.2 | 0 | 0 | 0 | 112.1 | Q241 R242 V243 | N239-Q241 VanDerWaalsContact C-N 3.28Å; N239-Q241 PolarHBondContact O-N 3.44Å; N239-Q241 WeakPolarHBondContact OD1-CB 3.49Å; N239-Q241 PolarHBondContact OD1-N 3.49Å; N239-Q241 VanDerWaalsContact OD1-N 3.17Å; N239-R242 PolarHBondContact O-N 2.84Å; N239-R242 VanDerWaalsContact O-N 3.15Å; N239-R242 WeakPolarHBondContact OD1-CG 3.42Å; N239-R242 PolarHBondContact OD1-N 3.06Å; N239-V243 PolarHBondContact O-N 2.94Å; N239-V243 VanDerWaalsContact O-N 3.13Å | ||
| 240 | F | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57 | -38.4 | -175.6 | -173.8 | -132 | 0 | 0 | 0 | 113.9 | R242 V243 R244 Y290 I293 L294 | F240-R242 PolarHBondContact O-N 3.16Å; F240-V243 PolarHBondContact O-N 3.3Å; F240-R244 HydrophobicContact CE2-CG 4.28Å; F240-R244 HydrophobicContact CZ-CG 4.25Å; F240-R244 PolarHBondContact O-N 2.74Å; F240-Y290 HydrophobicContact CB-CD1 3.83Å; F240-Y290 HydrophobicContact CB-CD2 4.03Å; F240-Y290 HydrophobicContact CB-CE1 3.91Å; F240-Y290 HydrophobicContact CB-CE2 4.14Å; F240-Y290 HydrophobicContact CB-CG 3.92Å; F240-Y290 AromaticContact CD2-CD1 3.61Å; F240-Y290 HydrophobicContact CD2-CD1 3.61Å; F240-Y290 HydrophobicContact CD2-CD2 4.42Å; F240-Y290 HydrophobicContact CD2-CE1 4.47Å; F240-Y290 AromaticContact CD2-CG 3.6Å; F240-Y290 HydrophobicContact CD2-CG 3.6Å; F240-Y290 HydrophobicContact CE2-CD1 4.44Å; F240-Y290 AromaticContact CG-CD1 3.98Å; F240-Y290 HydrophobicContact CG-CD1 3.98Å; F240-Y290 HydrophobicContact CG-CE1 4.42Å; F240-Y290 HydrophobicContact CG-CG 4.19Å; F240-I293 HydrophobicContact CZ-CG2 4.4Å; F240-L294 HydrophobicContact CE2-CD1 4.02Å; F240-L294 HydrophobicContact CE2-CD2 4.21Å; F240-L294 HydrophobicContact CE2-CG 3.99Å; F240-L294 HydrophobicContact CZ-CD2 4.19Å; F240-L294 HydrophobicContact CZ-CG 4.46Å |
| 241 | Q | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 40.7 Ų | 40.7 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 179.4 | 177.2 | 55.5 | 32 | 0 | 0 | 111.4 | N239 V243 R244 E245 | N239-Q241 VanDerWaalsContact C-N 3.28Å; N239-Q241 PolarHBondContact O-N 3.44Å; N239-Q241 WeakPolarHBondContact OD1-CB 3.49Å; N239-Q241 PolarHBondContact OD1-N 3.49Å; N239-Q241 VanDerWaalsContact OD1-N 3.17Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; Q241-V243 PolarHBondContact O-N 2.82Å; Q241-R244 WeakPolarHBondContact O-CB 3.4Å; Q241-R244 PolarHBondContact O-N 2.89Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.38Å; Q241-E245 PolarHBondContact NE2-OE1 2.94Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.48Å |
| 242 | R | 98.7 | Very high | 98.6 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.6 | -32.4 | 177.8 | -62 | -166.7 | 84.2 | -164.5 | 3.2 | 112.6 | M238 N239 F240 R244 E245 A246 | M238-R242 HydrophobicContact CB-CB 4.05Å; M238-R242 HydrophobicContact CG-CB 4Å; M238-R242 HydrophobicContact SD-CB 3.48Å; M238-R242 WeakPolarHBondContact SD-CB 3.43Å; N239-R242 PolarHBondContact O-N 2.84Å; N239-R242 VanDerWaalsContact O-N 3.15Å; N239-R242 WeakPolarHBondContact OD1-CG 3.42Å; N239-R242 PolarHBondContact OD1-N 3.06Å; F240-R242 PolarHBondContact O-N 3.16Å; R242-R244 VanDerWaalsContact C-N 3.35Å; R242-E245 PolarHBondContact O-N 3.02Å; R242-A246 WeakPolarHBondContact O-CB 3.16Å; R242-A246 PolarHBondContact O-N 2.71Å |
| 243 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | F235 M238 N239 F240 Q241 E245 A246 F247 T287 Y290 M291 L294 | F235-V243 HydrophobicContact CE2-CG1 4.29Å; F235-V243 HydrophobicContact CE2-CG2 4.27Å; F235-V243 HydrophobicContact CZ-CG1 4.15Å; M238-V243 HydrophobicContact CG-CG2 3.64Å; M238-V243 HydrophobicContact SD-CG2 4.22Å; N239-V243 PolarHBondContact O-N 2.94Å; N239-V243 VanDerWaalsContact O-N 3.13Å; F240-V243 PolarHBondContact O-N 3.3Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; Q241-V243 PolarHBondContact O-N 2.82Å; V243-E245 VanDerWaalsContact C-N 3.34Å; V243-E245 PolarHBondContact O-N 3.41Å; V243-A246 PolarHBondContact O-N 3.02Å; V243-F247 HydrophobicContact CG1-CD2 3.72Å; V243-F247 HydrophobicContact CG1-CE2 3.56Å; V243-F247 WeakPolarHBondContact O-CD2 3.48Å; V243-F247 PolarHBondContact O-N 3.01Å; V243-T287 HydrophobicContact CG2-CG2 3.86Å; V243-Y290 HydrophobicContact CG2-CD2 4.11Å; V243-M291 HydrophobicContact CG1-CG 4.13Å; V243-L294 HydrophobicContact CG1-CD1 3.82Å |
| 244 | R | 98.7 | Very high | 98.5 | Very high | 124 Ų | 124 | 51.3 Ų | 51.3 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.4 | -67.7 | -164 | -59 | -176.9 | -0.9 | 112 | F240 Q241 R242 F247 A248 L294 | F240-R244 HydrophobicContact CE2-CG 4.28Å; F240-R244 HydrophobicContact CZ-CG 4.25Å; F240-R244 PolarHBondContact O-N 2.74Å; Q241-R244 WeakPolarHBondContact O-CB 3.4Å; Q241-R244 PolarHBondContact O-N 2.89Å; R242-R244 VanDerWaalsContact C-N 3.35Å; R244-F247 PolarHBondContact O-N 2.94Å; R244-A248 WeakPolarHBondContact O-CB 3.48Å; R244-A248 PolarHBondContact O-N 3.02Å; R244-L294 HydrophobicContact CG-CD1 4.1Å; R244-L294 HydrophobicContact CG-CD2 4.42Å |
| 245 | E | 98.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176 | -72 | 162.9 | -170.6 | 0 | 0 | 111.6 | Q241 R242 V243 F247 A248 I249 | Q241-E245 WeakPolarHBondContact CG-OE1 3.38Å; Q241-E245 PolarHBondContact NE2-OE1 2.94Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.48Å; R242-E245 PolarHBondContact O-N 3.02Å; V243-E245 VanDerWaalsContact C-N 3.34Å; V243-E245 PolarHBondContact O-N 3.41Å; E245-F247 PolarHBondContact O-N 2.95Å; E245-A248 WeakPolarHBondContact O-CB 3.47Å; E245-A248 PolarHBondContact O-N 3.15Å; E245-A248 VanDerWaalsContact O-N 3.14Å; E245-I249 WeakPolarHBondContact O-CG1 3.29Å; E245-I249 PolarHBondContact O-N 3.12Å; E245-I249 VanDerWaalsContact O-N 3.12Å |
| 246 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | H217 F235 R242 V243 I249 Q250 | H217-A246 HydrophobicContact CB-CB 3.68Å; F235-A246 HydrophobicContact CD1-CB 3.62Å; F235-A246 HydrophobicContact CE1-CB 3.6Å; F235-A246 HydrophobicContact CG-CB 4.32Å; F235-A246 HydrophobicContact CZ-CB 4.29Å; R242-A246 WeakPolarHBondContact O-CB 3.16Å; R242-A246 PolarHBondContact O-N 2.71Å; V243-A246 PolarHBondContact O-N 3.02Å; A246-I249 WeakPolarHBondContact O-CB 3.33Å; A246-I249 PolarHBondContact O-N 3.27Å; A246-Q250 PolarHBondContact O-N 2.93Å |
| 247 | F | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.6 | -23.6 | 175.9 | -72.7 | -46.9 | 0 | 0 | 0 | 114.1 | V233 F235 V243 R244 E245 I249 Q250 R251 L259 N261 M291 L294 A296 | V233-F247 HydrophobicContact CG2-CD1 4.09Å; V233-F247 HydrophobicContact CG2-CE1 4.18Å; F235-F247 HydrophobicContact CE1-CD1 4.46Å; F235-F247 HydrophobicContact CE1-CE1 4.04Å; F235-F247 HydrophobicContact CE1-CZ 4.11Å; F235-F247 HydrophobicContact CZ-CE1 4.1Å; F235-F247 AromaticContact CZ-CE2 3.93Å; F235-F247 HydrophobicContact CZ-CE2 3.93Å; F235-F247 AromaticContact CZ-CZ 3.68Å; F235-F247 HydrophobicContact CZ-CZ 3.68Å; V243-F247 HydrophobicContact CG1-CD2 3.72Å; V243-F247 HydrophobicContact CG1-CE2 3.56Å; V243-F247 WeakPolarHBondContact O-CD2 3.48Å; V243-F247 PolarHBondContact O-N 3.01Å; R244-F247 PolarHBondContact O-N 2.94Å; E245-F247 PolarHBondContact O-N 2.95Å; F247-I249 VanDerWaalsContact C-N 3.28Å; F247-Q250 PolarHBondContact O-N 2.82Å; F247-R251 VanDerWaalsContact O-CB 3.31Å; F247-R251 WeakPolarHBondContact O-CB 3.38Å; F247-R251 PolarHBondContact O-N 3.5Å; F247-L259 HydrophobicContact CB-CD1 3.86Å; F247-L259 HydrophobicContact CB-CD2 3.86Å; F247-L259 HydrophobicContact CB-CG 4.39Å; F247-L259 HydrophobicContact CD1-CB 3.83Å; F247-L259 HydrophobicContact CD1-CD1 4.26Å; F247-L259 HydrophobicContact CD1-CD2 3.93Å; F247-L259 HydrophobicContact CD1-CG 4.21Å; F247-L259 HydrophobicContact CD2-CD1 4.01Å; F247-L259 HydrophobicContact CE1-CB 3.91Å; F247-L259 HydrophobicContact CG-CB 4.22Å; F247-L259 HydrophobicContact CG-CD1 3.8Å; F247-L259 HydrophobicContact CG-CD2 4.05Å; F247-L259 HydrophobicContact CG-CG 4.23Å; F247-L259 HydrophobicContact CZ-CB 4.33Å; F247-N261 HydrophobicContact CE1-CB 4.44Å; F247-N261 HydrophobicContact CZ-CB 4.3Å; F247-M291 HydrophobicContact CE2-CB 4.47Å; F247-M291 HydrophobicContact CE2-CG 3.95Å; F247-M291 HydrophobicContact CZ-CG 4.03Å; F247-M291 HydrophobicContact CZ-SD 4.35Å; F247-L294 HydrophobicContact CD2-CD1 3.7Å; F247-L294 HydrophobicContact CE2-CD1 4.13Å; F247-A296 HydrophobicContact CE1-CB 4.05Å; F247-A296 HydrophobicContact CE2-CB 3.73Å; F247-A296 HydrophobicContact CZ-CB 3.35Å |
| 248 | A | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 58 Ų | 58 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R244 E245 R251 Y252 | R244-A248 WeakPolarHBondContact O-CB 3.48Å; R244-A248 PolarHBondContact O-N 3.02Å; E245-A248 WeakPolarHBondContact O-CB 3.47Å; E245-A248 PolarHBondContact O-N 3.15Å; E245-A248 VanDerWaalsContact O-N 3.14Å; A248-R251 PolarHBondContact O-N 3.42Å; A248-Y252 PolarHBondContact O-N 3.48Å |
| 249 | I | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -49.3 | 170.8 | -57.3 | -55.6 | 0 | 0 | 0 | 110.6 | H217 L219 V222 E245 A246 F247 R251 Y252 F253 | H217-I249 WeakPolarHBondContact O-CG1 3.49Å; L219-I249 HydrophobicContact CD2-CD1 3.68Å; L219-I249 HydrophobicContact CD2-CG2 4.46Å; L219-I249 HydrophobicContact CG-CD1 3.7Å; V222-I249 HydrophobicContact CB-CG2 4.13Å; V222-I249 HydrophobicContact CG2-CG2 3.7Å; E245-I249 WeakPolarHBondContact O-CG1 3.29Å; E245-I249 PolarHBondContact O-N 3.12Å; E245-I249 VanDerWaalsContact O-N 3.12Å; A246-I249 WeakPolarHBondContact O-CB 3.33Å; A246-I249 PolarHBondContact O-N 3.27Å; F247-I249 VanDerWaalsContact C-N 3.28Å; I249-R251 VanDerWaalsContact C-N 3.28Å; I249-R251 PolarHBondContact O-N 2.87Å; I249-Y252 WeakPolarHBondContact O-CB 3.36Å; I249-Y252 PolarHBondContact O-N 2.83Å; I249-Y252 VanDerWaalsContact O-N 3.15Å; I249-F253 HydrophobicContact CG2-CD2 4.46Å; I249-F253 HydrophobicContact CG2-CE2 4.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.24Å |
| 250 | Q | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.9 | -46.6 | 175.3 | -167.7 | -167.4 | -15.1 | 0 | 0 | 110.9 | Y230 P231 V233 A246 F247 Y252 F253 A254 P258 V260 | Y230-Q250 PolarHBondContact OH-NE2 3.14Å; P231-Q250 WeakPolarHBondContact O-CG 3.32Å; P231-Q250 PolarHBondContact O-NE2 2.91Å; V233-Q250 HydrophobicContact CG1-CB 3.95Å; V233-Q250 HydrophobicContact CG1-CG 4.49Å; V233-Q250 HydrophobicContact CG2-CB 4.23Å; A246-Q250 PolarHBondContact O-N 2.93Å; F247-Q250 PolarHBondContact O-N 2.82Å; Q250-Y252 PolarHBondContact O-N 3.46Å; Q250-F253 PolarHBondContact O-N 2.97Å; Q250-F253 VanDerWaalsContact O-N 3.14Å; Q250-A254 PolarHBondContact O-N 3.24Å; Q250-P258 PolarHBondContact NE2-O 2.84Å; Q250-P258 VanDerWaalsContact NE2-O 3.17Å; Q250-V260 PolarHBondContact OE1-O 3.38Å |
| 251 | R | 98.2 | Very high | 98.5 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -29.2 | -179.2 | -168.1 | 59.6 | 58 | -177.1 | -3.4 | 113 | N33 F247 A248 I249 A254 P255 G257 L259 | N33-R251 PolarHBondContact OD1-NH1 2.98Å; F247-R251 VanDerWaalsContact O-CB 3.31Å; F247-R251 WeakPolarHBondContact O-CB 3.38Å; F247-R251 PolarHBondContact O-N 3.5Å; A248-R251 PolarHBondContact O-N 3.42Å; I249-R251 VanDerWaalsContact C-N 3.28Å; I249-R251 PolarHBondContact O-N 2.87Å; R251-A254 WeakPolarHBondContact CA-O 3.28Å; R251-A254 WeakPolarHBondContact CD-O 3.46Å; R251-A254 CarbonylContact O-C 3.5Å; R251-A254 VanDerWaalsContact O-C 3.23Å; R251-P255 WeakPolarHBondContact CD-O 3.31Å; R251-P255 PolarHBondContact NH1-O 3.37Å; R251-P255 VanDerWaalsContact O-CA 3.25Å; R251-P255 WeakPolarHBondContact O-CA 3.48Å; R251-P255 VanDerWaalsContact O-N 3.17Å; R251-G257 PolarHBondContact NH1-O 2.82Å; R251-G257 PolarHBondContact NH2-O 3.04Å; R251-L259 VanDerWaalsContact NH2-CD2 3.29Å |
| 252 | Y | 98 | Very high | 98.5 | Very high | 168 Ų | 168 | 46.4 Ų | 46.4 | 66% | 0.659 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64 | -40.4 | 175 | -176.3 | -93.5 | 0 | 0 | 0 | 112.1 | L219 A248 I249 Q250 | L219-Y252 HydrophobicContact CD2-CD1 4.1Å; L219-Y252 HydrophobicContact CD2-CE1 4.46Å; L219-Y252 HydrophobicContact CD2-CG 4.36Å; A248-Y252 PolarHBondContact O-N 3.48Å; I249-Y252 WeakPolarHBondContact O-CB 3.36Å; I249-Y252 PolarHBondContact O-N 2.83Å; I249-Y252 VanDerWaalsContact O-N 3.15Å; Q250-Y252 PolarHBondContact O-N 3.46Å |
| 253 | F | 97.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -91.3 | -23.3 | 179.1 | -64.8 | -84.2 | 0 | 0 | 0 | 113.5 | L219 V222 K223 P231 I249 Q250 | L219-F253 HydrophobicContact CD2-CE2 4.03Å; L219-F253 HydrophobicContact CD2-CZ 4.43Å; V222-F253 HydrophobicContact CB-CD2 3.8Å; V222-F253 HydrophobicContact CB-CE2 3.72Å; V222-F253 HydrophobicContact CB-CZ 4.42Å; V222-F253 HydrophobicContact CG1-CB 4.11Å; V222-F253 HydrophobicContact CG1-CD1 4.44Å; V222-F253 HydrophobicContact CG1-CD2 3.28Å; V222-F253 HydrophobicContact CG1-CE2 3.74Å; V222-F253 HydrophobicContact CG1-CG 3.69Å; K223-F253 HydrophobicContact CB-CE1 3.94Å; K223-F253 HydrophobicContact CB-CZ 3.74Å; K223-F253 HydrophobicContact CG-CE1 4.38Å; P231-F253 HydrophobicContact CB-CB 4.47Å; P231-F253 HydrophobicContact CG-CB 3.96Å; I249-F253 HydrophobicContact CG2-CD2 4.46Å; I249-F253 HydrophobicContact CG2-CE2 4.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.24Å; Q250-F253 PolarHBondContact O-N 2.97Å; Q250-F253 VanDerWaalsContact O-N 3.14Å |
| 254 | A | 97.3 | Very high | 98.5 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | trans | -128.3 | 83.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y230 P231 Q250 R251 K256 | Y230-A254 HydrophobicContact CE2-CB 3.89Å; P231-A254 HydrophobicContact CG-CB 3.72Å; Q250-A254 PolarHBondContact O-N 3.24Å; R251-A254 WeakPolarHBondContact CA-O 3.28Å; R251-A254 WeakPolarHBondContact CD-O 3.46Å; R251-A254 CarbonylContact O-C 3.5Å; R251-A254 VanDerWaalsContact O-C 3.23Å; A254-K256 PolarHBondContact O-N 3.2Å | ||
| 255 | P | 97.8 | Very high | 98.5 | Very high | 95 Ų | 95 | 35.8 Ų | 35.8 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -56 | -28.1 | -178.9 | -28.3 | 36.1 | 0 | 0 | 0 | 113.7 | R251 | R251-P255 WeakPolarHBondContact CD-O 3.31Å; R251-P255 PolarHBondContact NH1-O 3.37Å; R251-P255 VanDerWaalsContact O-CA 3.25Å; R251-P255 WeakPolarHBondContact O-CA 3.48Å; R251-P255 VanDerWaalsContact O-N 3.17Å |
| 256 | K | 98.1 | Very high | 98.4 | Very high | 113 Ų | 113 | 31.4 Ų | 31.4 | 49% | 0.491 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -126.2 | 157.6 | 176.9 | -72.6 | -174.2 | 174 | -169.9 | 0 | 111.2 | Y30 N33 A254 | Y30-K256 HydrophobicContact CD1-CB 3.9Å; Y30-K256 HydrophobicContact CG-CB 4.44Å; Y30-K256 WeakPolarHBondContact O-CB 3.18Å; Y30-K256 WeakPolarHBondContact O-CD 3.26Å; N33-K256 WeakPolarHBondContact OD1-CA 2.92Å; A254-K256 PolarHBondContact O-N 3.2Å |
| 257 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 108.3 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N33 Y230 R251 | N33-G257 WeakPolarHBondContact CB-O 3.36Å; N33-G257 PolarHBondContact OD1-N 2.82Å; N33-G257 PolarHBondContact OD1-O 2.9Å; Y230-G257 WeakPolarHBondContact OH-CA 3.44Å; Y230-G257 PolarHBondContact OH-O 2.93Å; R251-G257 PolarHBondContact NH1-O 2.82Å; R251-G257 PolarHBondContact NH2-O 3.04Å |
| 258 | P | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | trans | -69 | 134.6 | -176.9 | 26.5 | -33.8 | 0 | 0 | 0 | 113.4 | I28 N33 F35 Y230 Q250 V260 | I28-P258 HydrophobicContact CG2-CG 4.49Å; N33-P258 VanDerWaalsContact O-CA 3.3Å; N33-P258 WeakPolarHBondContact O-CA 3.49Å; F35-P258 HydrophobicContact CD1-CG 3.84Å; F35-P258 HydrophobicContact CD2-CB 3.83Å; F35-P258 HydrophobicContact CD2-CG 3.63Å; F35-P258 HydrophobicContact CE1-CG 3.58Å; F35-P258 HydrophobicContact CE2-CB 3.65Å; F35-P258 HydrophobicContact CE2-CG 3.35Å; F35-P258 HydrophobicContact CG-CB 4.43Å; F35-P258 HydrophobicContact CG-CG 3.87Å; F35-P258 HydrophobicContact CZ-CB 4.13Å; F35-P258 HydrophobicContact CZ-CG 3.32Å; Y230-P258 HydrophobicContact CE1-CG 4.24Å; Y230-P258 VanDerWaalsContact CE1-O 3.29Å; Y230-P258 WeakPolarHBondContact CE1-O 3.2Å; Y230-P258 PolarHBondContact OH-O 2.92Å; Q250-P258 PolarHBondContact NE2-O 2.84Å; Q250-P258 VanDerWaalsContact NE2-O 3.17Å; P258-V260 PolarHBondContact O-N 3.03Å | ||
| 259 | L | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | trans | -64.3 | 137.8 | 168.8 | -65.5 | 178.7 | 0 | 0 | 0 | 110 | F247 R251 L294 A296 S297 | F247-L259 HydrophobicContact CB-CD1 3.86Å; F247-L259 HydrophobicContact CB-CD2 3.86Å; F247-L259 HydrophobicContact CB-CG 4.39Å; F247-L259 HydrophobicContact CD1-CB 3.83Å; F247-L259 HydrophobicContact CD1-CD1 4.26Å; F247-L259 HydrophobicContact CD1-CD2 3.93Å; F247-L259 HydrophobicContact CD1-CG 4.21Å; F247-L259 HydrophobicContact CD2-CD1 4.01Å; F247-L259 HydrophobicContact CE1-CB 3.91Å; F247-L259 HydrophobicContact CG-CB 4.22Å; F247-L259 HydrophobicContact CG-CD1 3.8Å; F247-L259 HydrophobicContact CG-CD2 4.05Å; F247-L259 HydrophobicContact CG-CG 4.23Å; F247-L259 HydrophobicContact CZ-CB 4.33Å; R251-L259 VanDerWaalsContact NH2-CD2 3.29Å; L259-L294 HydrophobicContact CD1-CB 4.18Å; L259-A296 HydrophobicContact CB-CB 3.58Å; L259-A296 CarbonylContact O-C 3.2Å; L259-A296 WeakPolarHBondContact O-CA 3.32Å; L259-S297 PolarHBondContact O-N 3.05Å | ||
| 260 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 121.9 | -178 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | F35 Y44 Y230 T232 V233 Q250 P258 S297 | F35-V260 HydrophobicContact CE2-CG2 3.69Å; F35-V260 HydrophobicContact CZ-CG2 3.72Å; Y44-V260 WeakPolarHBondContact OH-CG1 3.32Å; Y230-V260 HydrophobicContact CE1-CG2 4.36Å; T232-V260 HydrophobicContact CG2-CB 3.61Å; T232-V260 HydrophobicContact CG2-CG1 3.63Å; T232-V260 HydrophobicContact CG2-CG2 4.18Å; V233-V260 PolarHBondContact N-O 2.92Å; Q250-V260 PolarHBondContact OE1-O 3.38Å; P258-V260 PolarHBondContact O-N 3.03Å; V260-S297 VanDerWaalsContact CA-O 3.3Å; V260-S297 WeakPolarHBondContact CA-O 3.15Å |
| 261 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 99.3 | 159.1 | -176.6 | -5.9 | 0 | 0 | 0 | 109.4 | V233 D234 F235 F247 E263 F264 M291 S297 F298 T299 | V233-N261 CarbonylContact O-C 3.55Å; V233-N261 VanDerWaalsContact O-CA 3.23Å; V233-N261 WeakPolarHBondContact O-CA 3.13Å; V233-N261 PolarHBondContact O-OD1 2.94Å; D234-N261 WeakPolarHBondContact CA-OD1 3.44Å; F235-N261 VanDerWaalsContact CD2-ND2 3.29Å; F235-N261 WeakPolarHBondContact CD2-ND2 3.29Å; F235-N261 HydrophobicContact CE1-CB 3.99Å; F235-N261 HydrophobicContact CE2-CB 4.49Å; F235-N261 WeakPolarHBondContact CE2-ND2 3.21Å; F235-N261 HydrophobicContact CZ-CB 3.93Å; F235-N261 WeakPolarHBondContact CZ-ND2 3.44Å; F235-N261 PolarHBondContact N-OD1 3.17Å; F235-N261 PolarHBondContact O-ND2 3.41Å; F247-N261 HydrophobicContact CE1-CB 4.44Å; F247-N261 HydrophobicContact CZ-CB 4.3Å; N261-E263 VanDerWaalsContact C-N 3.33Å; N261-E263 PolarHBondContact OD1-N 3.43Å; N261-E263 PolarHBondContact OD1-O 3.26Å; N261-F264 PolarHBondContact OD1-N 3.14Å; N261-M291 HydrophobicContact CB-SD 3.49Å; N261-M291 WeakPolarHBondContact CB-SD 3.43Å; N261-M291 PolarHBondContact ND2-SD 2.82Å; N261-M291 VanDerWaalsContact ND2-SD 3.45Å; N261-S297 PolarHBondContact N-O 3.45Å; N261-F298 HydrophobicContact CB-CB 4.01Å; N261-F298 CarbonylContact O-C 3.6Å; N261-F298 WeakPolarHBondContact O-CA 3.42Å; N261-T299 PolarHBondContact O-N 2.92Å |
| 262 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -15.7 | -174.3 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | Q75 T214 T232 V233 T299 | Q75-S262 PolarHBondContact NE2-O 3.45Å; Q75-S262 PolarHBondContact OE1-O 3.34Å; T214-S262 WeakPolarHBondContact CB-OG 3.31Å; T214-S262 WeakPolarHBondContact CG2-OG 3.32Å; T214-S262 WeakPolarHBondContact OG1-CB 3.39Å; T214-S262 PolarHBondContact OG1-OG 3.3Å; T232-S262 VanDerWaalsContact OG1-CB 3.29Å; T232-S262 WeakPolarHBondContact OG1-CB 3.4Å; T232-S262 PolarHBondContact OG1-OG 3.17Å; V233-S262 PolarHBondContact O-N 3.21Å; V233-S262 PolarHBondContact O-OG 3.03Å; S262-T299 WeakPolarHBondContact O-CB 3.39Å |
| 263 | E | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 95.5 | 166.4 | -58.6 | -171.5 | -154.3 | 0 | 0 | 111.7 | Y77 R115 T214 D234 F235 N261 Y265 Y301 | Y77-E263 PolarHBondContact OH-OE1 2.99Å; R115-E263 IonicContact CZ-OE1 2.69Å; R115-E263 VanDerWaalsContact NH1-CD 3.27Å; R115-E263 VanDerWaalsContact NH1-CG 3.31Å; R115-E263 IonicContact NH1-OE1 3.82Å; R115-E263 PolarHBondContact NH1-OE1 3.3Å; R115-E263 IonicContact NH2-OE1 2.66Å; R115-E263 PolarHBondContact NH2-OE1 3.12Å; T214-E263 HydrophobicContact CG2-CG 4.35Å; D234-E263 HydrophobicContact CB-CB 3.68Å; D234-E263 HydrophobicContact CB-CG 4.39Å; F235-E263 PolarHBondContact N-O 3.28Å; N261-E263 VanDerWaalsContact C-N 3.33Å; N261-E263 PolarHBondContact OD1-N 3.43Å; N261-E263 PolarHBondContact OD1-O 3.26Å; E263-Y265 HydrophobicContact CB-CD1 4.24Å; E263-Y265 HydrophobicContact CB-CE1 3.51Å; E263-Y265 HydrophobicContact CG-CE1 4.38Å; E263-Y265 PolarHBondContact O-N 3.31Å; E263-Y265 VanDerWaalsContact OE2-CE1 3.24Å; E263-Y265 WeakPolarHBondContact OE2-CE1 3.47Å; E263-Y265 PolarHBondContact OE2-OH 2.9Å; E263-Y301 HydrophobicContact CB-CG 4.05Å; E263-Y301 HydrophobicContact CG-CD2 3.98Å; E263-Y301 HydrophobicContact CG-CG 3.94Å; E263-Y301 WeakPolarHBondContact OE2-CD1 3.39Å; E263-Y301 VanDerWaalsContact OE2-CE1 3.29Å; E263-Y301 WeakPolarHBondContact OE2-CE1 3.43Å |
| 264 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 99.9 | 170.3 | 177.5 | -127.1 | 0 | 0 | 0 | 110.7 | F235 P237 N261 A266 V284 T287 M288 M291 F298 T299 I300 Y301 | F235-F264 WeakPolarHBondContact O-CA 3.49Å; F235-F264 WeakPolarHBondContact O-CD2 3.39Å; P237-F264 HydrophobicContact CG-CE2 4.22Å; P237-F264 HydrophobicContact CG-CZ 4.34Å; N261-F264 PolarHBondContact OD1-N 3.14Å; F264-A266 HydrophobicContact CE1-CB 4.48Å; F264-A266 PolarHBondContact O-N 3.48Å; F264-V284 HydrophobicContact CE1-CG1 3.69Å; F264-V284 HydrophobicContact CZ-CB 4.38Å; F264-V284 HydrophobicContact CZ-CG1 3.92Å; F264-V284 WeakPolarHBondContact CZ-O 3.45Å; F264-T287 HydrophobicContact CD2-CG2 4.27Å; F264-T287 HydrophobicContact CE2-CG2 3.52Å; F264-T287 HydrophobicContact CZ-CG2 4.11Å; F264-M288 HydrophobicContact CD1-CG 4.22Å; F264-M288 HydrophobicContact CE1-CG 3.51Å; F264-M288 HydrophobicContact CE1-SD 4.32Å; F264-M288 HydrophobicContact CZ-CG 4.19Å; F264-M291 HydrophobicContact CB-CE 4.07Å; F264-M291 HydrophobicContact CD1-CE 3.82Å; F264-M291 HydrophobicContact CD2-CE 3.64Å; F264-M291 HydrophobicContact CE1-CE 4.14Å; F264-M291 HydrophobicContact CE2-CE 4Å; F264-M291 HydrophobicContact CG-CE 3.55Å; F264-M291 HydrophobicContact CZ-CE 4.23Å; F264-F298 HydrophobicContact CD1-CD2 4.49Å; F264-T299 WeakPolarHBondContact CA-O 3.49Å; F264-T299 WeakPolarHBondContact CB-O 3.48Å; F264-T299 PolarHBondContact N-O 3.35Å; F264-I300 HydrophobicContact CD1-CG1 4.15Å; F264-Y301 PolarHBondContact O-N 2.85Å |
| 265 | Y | 98.5 | Very high | 97.5 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 82.1 | -174.6 | -52.7 | -56.3 | 0 | 0 | 0 | 113.4 | E182 D234 P237 E263 G267 W268 Y301 | E182-Y265 PolarHBondContact OE1-OH 2.82Å; D234-Y265 HydrophobicContact CB-CE2 4.15Å; D234-Y265 WeakPolarHBondContact CB-OH 3.37Å; D234-Y265 PolarHBondContact OD1-OH 3.09Å; P237-Y265 WeakPolarHBondContact CD-O 3.34Å; E263-Y265 HydrophobicContact CB-CD1 4.24Å; E263-Y265 HydrophobicContact CB-CE1 3.51Å; E263-Y265 HydrophobicContact CG-CE1 4.38Å; E263-Y265 PolarHBondContact O-N 3.31Å; E263-Y265 VanDerWaalsContact OE2-CE1 3.24Å; E263-Y265 WeakPolarHBondContact OE2-CE1 3.47Å; E263-Y265 PolarHBondContact OE2-OH 2.9Å; Y265-G267 PolarHBondContact O-N 2.77Å; Y265-W268 HydrophobicContact CD1-CZ3 4.09Å; Y265-W268 HydrophobicContact CD2-CZ3 4.16Å; Y265-W268 HydrophobicContact CG-CE3 4.5Å; Y265-W268 AromaticContact CG-CZ3 3.92Å; Y265-W268 HydrophobicContact CG-CZ3 3.92Å; Y265-Y301 WeakPolarHBondContact CA-O 3.34Å; Y265-Y301 AromaticContact CD1-CD1 3.96Å; Y265-Y301 HydrophobicContact CD1-CD1 3.96Å; Y265-Y301 AromaticContact CE1-CD1 3.91Å; Y265-Y301 HydrophobicContact CE1-CD1 3.91Å |
| 266 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -79.3 | 3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F264 T279 V284 I300 K339 | F264-A266 HydrophobicContact CE1-CB 4.48Å; F264-A266 PolarHBondContact O-N 3.48Å; A266-T279 WeakPolarHBondContact O-CB 3.11Å; A266-V284 HydrophobicContact CB-CG1 3.79Å; A266-V284 HydrophobicContact CB-CG2 4.14Å; A266-I300 HydrophobicContact CB-CG2 3.7Å; A266-K339 PolarHBondContact O-NZ 3.04Å |
| 267 | G | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -163.4 | -173.2 | -175 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y265 T279 Y326 | Y265-G267 PolarHBondContact O-N 2.77Å; G267-T279 WeakPolarHBondContact CA-OG1 3.46Å; G267-Y326 VanDerWaalsContact C-CD1 3.45Å; G267-Y326 CarbonylContact C-O 3.44Å; G267-Y326 VanDerWaalsContact C-O 3.31Å; G267-Y326 WeakPolarHBondContact CA-O 3.44Å; G267-Y326 WeakPolarHBondContact O-CE1 3.48Å |
| 268 | W | 97.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 28.3 Ų | 28.3 | 42% | 0.417 | 15% | 0.145 | S | C | . | . | trans | -152.5 | 152.3 | 173.3 | -157.5 | -101.8 | 0 | 0 | 0 | 111.1 | Y265 S277 Y326 | Y265-W268 HydrophobicContact CD1-CZ3 4.09Å; Y265-W268 HydrophobicContact CD2-CZ3 4.16Å; Y265-W268 HydrophobicContact CG-CE3 4.5Å; Y265-W268 AromaticContact CG-CZ3 3.92Å; Y265-W268 HydrophobicContact CG-CZ3 3.92Å; W268-S277 VanDerWaalsContact O-CB 3.25Å; W268-S277 WeakPolarHBondContact O-CB 3.43Å; W268-Y326 PolarHBondContact N-O 2.69Å; W268-Y326 CarbonylContact O-C 3.51Å; W268-Y326 WeakPolarHBondContact O-CA 3.24Å | ||
| 269 | F | 97.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.044 | 15% | 0.153 | C | C | . | . | trans | -71.5 | 165.3 | 178.5 | 63.9 | -89.7 | 0 | 0 | 0 | 112.5 | E123 E271 S277 V320 Y324 Y326 | E123-F269 HydrophobicContact CG-CB 4.48Å; E123-F269 HydrophobicContact CG-CD1 3.6Å; E123-F269 HydrophobicContact CG-CD2 3.8Å; E123-F269 HydrophobicContact CG-CE1 3.6Å; E123-F269 HydrophobicContact CG-CE2 3.79Å; E123-F269 HydrophobicContact CG-CG 3.7Å; E123-F269 HydrophobicContact CG-CZ 3.7Å; E123-F269 WeakPolarHBondContact OE2-CD1 3.38Å; F269-E271 HydrophobicContact CD2-CG 4.08Å; F269-E271 HydrophobicContact CE2-CG 3.69Å; F269-S277 PolarHBondContact O-OG 3.06Å; F269-V320 HydrophobicContact CD2-CG1 4.47Å; F269-V320 HydrophobicContact CD2-CG2 4.16Å; F269-V320 HydrophobicContact CE2-CG2 4.22Å; F269-Y324 HydrophobicContact CB-CD2 4.15Å; F269-Y324 HydrophobicContact CB-CE2 3.55Å; F269-Y324 HydrophobicContact CG-CE2 4.39Å; F269-Y326 HydrophobicContact CB-CD2 3.69Å; F269-Y326 HydrophobicContact CB-CE2 3.82Å; F269-Y326 HydrophobicContact CD1-CE2 4.01Å; F269-Y326 HydrophobicContact CG-CE2 4.44Å; F269-Y326 VanDerWaalsContact N-CD2 3.32Å | ||
| 270 | D | 97.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -106.1 | 148 | 176.4 | -75.9 | -13.6 | 0 | 0 | 0 | 112.1 | H276 S277 V320 T321 P577 | D270-H276 WeakPolarHBondContact OD1-CA 3.36Å; D270-H276 IonicContact OD1-ND1 3.83Å; D270-H276 PolarHBondContact OD1-ND1 3.03Å; D270-H276 IonicContact OD2-CE1 2.92Å; D270-H276 IonicContact OD2-CG 2.71Å; D270-H276 IonicContact OD2-ND1 3.24Å; D270-H276 PolarHBondContact OD2-ND1 2.82Å; D270-S277 WeakPolarHBondContact OD1-CB 3.36Å; D270-S277 PolarHBondContact OD1-N 2.6Å; D270-S277 PolarHBondContact OD1-OG 2.62Å; D270-V320 WeakPolarHBondContact O-CA 3.46Å; D270-T321 HydrophobicContact CB-CG2 3.82Å; D270-T321 VanDerWaalsContact CB-OG1 3.29Å; D270-T321 WeakPolarHBondContact CB-OG1 3.05Å; D270-T321 PolarHBondContact O-N 2.84Å; D270-T321 VanDerWaalsContact O-N 3.07Å; D270-T321 PolarHBondContact O-OG1 3.45Å; D270-P577 HydrophobicContact CB-CG 3.84Å; D270-P577 WeakPolarHBondContact OD2-CG 3.36Å | ||
| 271 | E | 96.7 | Very high | 97 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -121.6 | 143.4 | 172.2 | -64.5 | 173.7 | 113.8 | 0 | 0 | 109.4 | F269 G273 R274 S316 A317 L318 P319 P577 | F269-E271 HydrophobicContact CD2-CG 4.08Å; F269-E271 HydrophobicContact CE2-CG 3.69Å; E271-G273 PolarHBondContact O-N 3.02Å; E271-R274 HydrophobicContact CB-CG 4.3Å; E271-R274 PolarHBondContact O-N 3.17Å; E271-R274 VanDerWaalsContact O-N 3.13Å; E271-R274 VanDerWaalsContact OE2-CD 3.24Å; E271-R274 WeakPolarHBondContact OE2-CD 3.25Å; E271-R274 IonicContact OE2-CZ 3.66Å; E271-R274 IonicContact OE2-NE 2.72Å; E271-R274 PolarHBondContact OE2-NE 2.71Å; E271-R274 VanDerWaalsContact OE2-NE 3.07Å; E271-R274 IonicContact OE2-NH1 3.49Å; E271-R274 PolarHBondContact OE2-NH1 3.43Å; E271-R274 IonicContact OE2-NH2 3.2Å; E271-S316 WeakPolarHBondContact OE1-CB 3.45Å; E271-A317 PolarHBondContact OE1-N 3.34Å; E271-L318 HydrophobicContact CB-CB 3.97Å; E271-L318 HydrophobicContact CG-CB 4.43Å; E271-L318 PolarHBondContact OE1-N 3.13Å; E271-P319 WeakPolarHBondContact CA-O 3.21Å; E271-P577 VanDerWaalsContact O-CD 3.29Å; E271-P577 WeakPolarHBondContact O-CD 3.48Å |
| 272 | W | 95.5 | Very high | 97 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 130.5 | 175.7 | -65.6 | 103.7 | 0 | 0 | 0 | 110.7 | P319 V320 T321 R570 W572 L575 G576 Q578 | W272-P319 VanDerWaalsContact CD1-O 3.26Å; W272-P319 PolarHBondContact N-O 3.23Å; W272-V320 PolarHBondContact NE1-O 2.76Å; W272-T321 HydrophobicContact CD2-CG2 3.88Å; W272-T321 HydrophobicContact CE3-CG2 4.15Å; W272-T321 HydrophobicContact CG-CG2 4.25Å; W272-T321 HydrophobicContact CH2-CG2 4.5Å; W272-T321 HydrophobicContact CZ2-CG2 4.25Å; W272-T321 HydrophobicContact CZ3-CG2 4.46Å; W272-R570 WeakPolarHBondContact CZ2-O 3.25Å; W272-W572 HydrophobicContact CB-CE3 4.14Å; W272-W572 HydrophobicContact CD2-CB 3.88Å; W272-W572 HydrophobicContact CD2-CE3 4.42Å; W272-W572 HydrophobicContact CE3-CB 3.53Å; W272-W572 HydrophobicContact CE3-CG 4.47Å; W272-W572 HydrophobicContact CG-CE3 4.06Å; W272-W572 HydrophobicContact CH2-CB 4.11Å; W272-W572 HydrophobicContact CZ2-CB 4.41Å; W272-W572 HydrophobicContact CZ3-CB 3.65Å; W272-W572 WeakPolarHBondContact CZ3-O 3.34Å; W272-L575 HydrophobicContact CB-CD1 4.35Å; W272-G576 CarbonylContact C-O 3.23Å; W272-G576 VanDerWaalsContact CA-O 3.26Å; W272-G576 WeakPolarHBondContact CA-O 3.5Å; W272-G576 VanDerWaalsContact CE3-O 3.3Å; W272-Q578 HydrophobicContact CH2-CB 3.8Å; W272-Q578 HydrophobicContact CH2-CG 4.13Å; W272-Q578 HydrophobicContact CZ3-CB 3.9Å; W272-Q578 WeakPolarHBondContact CZ3-O 3.42Å |
| 273 | G | 93.9 | Very high | 97 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E271 G576 | E271-G273 PolarHBondContact O-N 3.02Å; G273-G576 PolarHBondContact N-O 2.85Å |
| 274 | R | 93.5 | Very high | 97 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -113.8 | 170.2 | 170.4 | -62.9 | -165.1 | 176.9 | -176.6 | 2.6 | 111.5 | E271 L318 P577 | E271-R274 HydrophobicContact CB-CG 4.3Å; E271-R274 PolarHBondContact O-N 3.17Å; E271-R274 VanDerWaalsContact O-N 3.13Å; E271-R274 VanDerWaalsContact OE2-CD 3.24Å; E271-R274 WeakPolarHBondContact OE2-CD 3.25Å; E271-R274 IonicContact OE2-CZ 3.66Å; E271-R274 IonicContact OE2-NE 2.72Å; E271-R274 PolarHBondContact OE2-NE 2.71Å; E271-R274 VanDerWaalsContact OE2-NE 3.07Å; E271-R274 IonicContact OE2-NH1 3.49Å; E271-R274 PolarHBondContact OE2-NH1 3.43Å; E271-R274 IonicContact OE2-NH2 3.2Å; R274-L318 HydrophobicContact CG-CD1 4.11Å; R274-P577 WeakPolarHBondContact O-CB 3.19Å; R274-P577 VanDerWaalsContact O-CD 3.25Å; R274-P577 WeakPolarHBondContact O-CD 3.32Å |
| 275 | N | 93.7 | Very high | 97 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 152.1 | 168.4 | -73.3 | -41.5 | 0 | 0 | 0 | 109.9 | S277 V628 | N275-S277 PolarHBondContact O-N 2.67Å; N275-V628 VanDerWaalsContact OD1-CG2 3.26Å; N275-V628 WeakPolarHBondContact OD1-CG2 3.35Å |
| 276 | H | 95.7 | Very high | 97.1 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 127.5 | 165.7 | 179.4 | 55.7 | 0 | 0 | 0 | 109.1 | D270 D325 P577 | D270-H276 WeakPolarHBondContact OD1-CA 3.36Å; D270-H276 IonicContact OD1-ND1 3.83Å; D270-H276 PolarHBondContact OD1-ND1 3.03Å; D270-H276 IonicContact OD2-CE1 2.92Å; D270-H276 IonicContact OD2-CG 2.71Å; D270-H276 IonicContact OD2-ND1 3.24Å; D270-H276 PolarHBondContact OD2-ND1 2.82Å; H276-D325 IonicContact CE1-OD1 3.88Å; H276-P577 HydrophobicContact CB-CB 3.95Å; H276-P577 HydrophobicContact CB-CG 4.39Å; H276-P577 VanDerWaalsContact N-CB 3.33Å |
| 277 | S | 95.2 | Very high | 97.1 | Very high | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 132.7 | 178 | -73.6 | 0 | 0 | 0 | 0 | 110.5 | W268 F269 D270 N275 D327 | W268-S277 VanDerWaalsContact O-CB 3.25Å; W268-S277 WeakPolarHBondContact O-CB 3.43Å; F269-S277 PolarHBondContact O-OG 3.06Å; D270-S277 WeakPolarHBondContact OD1-CB 3.36Å; D270-S277 PolarHBondContact OD1-N 2.6Å; D270-S277 PolarHBondContact OD1-OG 2.62Å; N275-S277 PolarHBondContact O-N 2.67Å; S277-D327 VanDerWaalsContact O-CB 3.32Å; S277-D327 WeakPolarHBondContact O-CB 3.4Å |
| 278 | V | 96.1 | Very high | 97.1 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | trans | -136.4 | 126.4 | 176.5 | -179 | 0 | 0 | 0 | 0 | 109.9 | D327 | V278-D327 WeakPolarHBondContact CA-OD2 3.39Š| ||
| 279 | T | 97.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | -109.6 | 121.5 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 109.7 | P237 A266 G267 V284 D327 K339 | P237-T279 HydrophobicContact CG-CG2 3.84Å; A266-T279 WeakPolarHBondContact O-CB 3.11Å; G267-T279 WeakPolarHBondContact CA-OG1 3.46Å; T279-V284 HydrophobicContact CG2-CG2 3.63Å; T279-D327 PolarHBondContact N-OD2 2.92Å; T279-K339 WeakPolarHBondContact O-CE 3.32Å; T279-K339 PolarHBondContact O-NZ 3.05Å; T279-K339 VanDerWaalsContact O-NZ 3.13Å | ||
| 280 | L | 98.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 49 Ų | 49 | 65% | 0.654 | 25% | 0.254 | S | S | * | . | trans | -63.9 | 138.6 | -176.4 | -63.2 | 178 | 0 | 0 | 0 | 111.8 | K282 P283 V284 | L280-K282 PolarHBondContact O-N 3.44Å; L280-P283 HydrophobicContact CB-CG 4.11Å; L280-P283 WeakPolarHBondContact O-CD 3.35Å; L280-V284 WeakPolarHBondContact O-CG2 3.15Å | ||
| 281 | I | 98.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 30% | 0.303 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | -179.2 | -64.2 | 174.2 | 0 | 0 | 0 | 111.4 | V284 L285 P338 K339 A342 | I281-V284 WeakPolarHBondContact O-CB 3.06Å; I281-V284 PolarHBondContact O-N 3.34Å; I281-V284 VanDerWaalsContact O-N 3.08Å; I281-L285 HydrophobicContact CG2-CD1 3.9Å; I281-L285 HydrophobicContact CG2-CD2 4.44Å; I281-L285 HydrophobicContact CG2-CG 3.98Å; I281-L285 WeakPolarHBondContact O-CG 3.29Å; I281-L285 PolarHBondContact O-N 2.81Å; I281-P338 HydrophobicContact CD1-CB 4.1Å; I281-K339 HydrophobicContact CD1-CB 4.22Å; I281-K339 HydrophobicContact CG1-CB 3.99Å; I281-K339 HydrophobicContact CG1-CG 4.18Å; I281-A342 HydrophobicContact CG2-CB 3.55Å |
| 282 | K | 98.7 | Very high | 97.4 | Very high | 144 Ų | 144 | 51.5 Ų | 51.5 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.4 | -53.6 | -173.1 | 172 | 178.3 | 177.7 | -179.8 | 0 | 113.1 | L280 V284 L285 E286 | L280-K282 PolarHBondContact O-N 3.44Å; K282-V284 VanDerWaalsContact C-N 3.25Å; K282-V284 PolarHBondContact O-N 3.39Å; K282-L285 PolarHBondContact O-N 2.71Å; K282-E286 WeakPolarHBondContact CE-OE1 3.37Å; K282-E286 HydrophobicContact CG-CG 4.42Å; K282-E286 IonicContact NZ-OE1 3.24Å; K282-E286 WeakPolarHBondContact O-CG 3.49Å; K282-E286 PolarHBondContact O-N 3.28Å |
| 283 | P | 98.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55 | -37.7 | 174 | -29 | 35.4 | 0 | 0 | 0 | 114 | P237 L280 T287 | P237-P283 HydrophobicContact CB-CB 3.65Å; L280-P283 HydrophobicContact CB-CG 4.11Å; L280-P283 WeakPolarHBondContact O-CD 3.35Å; P283-T287 PolarHBondContact O-N 3.15Å; P283-T287 PolarHBondContact O-OG1 2.97Å |
| 284 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | P237 F264 A266 T279 L280 I281 K282 E286 T287 M288 I343 | P237-V284 HydrophobicContact CG-CB 4.5Å; P237-V284 HydrophobicContact CG-CG2 3.69Å; F264-V284 HydrophobicContact CE1-CG1 3.69Å; F264-V284 HydrophobicContact CZ-CB 4.38Å; F264-V284 HydrophobicContact CZ-CG1 3.92Å; F264-V284 WeakPolarHBondContact CZ-O 3.45Å; A266-V284 HydrophobicContact CB-CG1 3.79Å; A266-V284 HydrophobicContact CB-CG2 4.14Å; T279-V284 HydrophobicContact CG2-CG2 3.63Å; L280-V284 WeakPolarHBondContact O-CG2 3.15Å; I281-V284 WeakPolarHBondContact O-CB 3.06Å; I281-V284 PolarHBondContact O-N 3.34Å; I281-V284 VanDerWaalsContact O-N 3.08Å; K282-V284 VanDerWaalsContact C-N 3.25Å; K282-V284 PolarHBondContact O-N 3.39Å; V284-E286 PolarHBondContact O-N 3.06Å; V284-T287 PolarHBondContact O-N 3.14Å; V284-M288 HydrophobicContact CG1-SD 4.25Å; V284-M288 WeakPolarHBondContact O-CG 3.16Å; V284-M288 PolarHBondContact O-N 3.2Å; V284-I343 HydrophobicContact CG1-CD1 4.32Å |
| 285 | L | 98.9 | Very high | 98 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -179 | -55.9 | -175.4 | 0 | 0 | 0 | 112.2 | I281 K282 M288 E289 A342 I343 Q346 | I281-L285 HydrophobicContact CG2-CD1 3.9Å; I281-L285 HydrophobicContact CG2-CD2 4.44Å; I281-L285 HydrophobicContact CG2-CG 3.98Å; I281-L285 WeakPolarHBondContact O-CG 3.29Å; I281-L285 PolarHBondContact O-N 2.81Å; K282-L285 PolarHBondContact O-N 2.71Å; L285-M288 HydrophobicContact CD2-SD 4.33Å; L285-M288 WeakPolarHBondContact O-CB 3.37Å; L285-M288 PolarHBondContact O-N 3Å; L285-E289 PolarHBondContact O-N 3.4Å; L285-A342 HydrophobicContact CD1-CB 4.05Å; L285-A342 HydrophobicContact CD2-CB 4.19Å; L285-I343 HydrophobicContact CD2-CG1 4.02Å; L285-Q346 HydrophobicContact CB-CG 4.36Å; L285-Q346 HydrophobicContact CD2-CB 3.91Å; L285-Q346 HydrophobicContact CD2-CG 4.16Å; L285-Q346 PolarHBondContact O-NE2 2.93Å |
| 286 | E | 98.9 | Very high | 98.2 | Very high | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.9 | -74 | 177.3 | 173 | 0 | 0 | 111.2 | K282 V284 M288 E289 Y290 | K282-E286 WeakPolarHBondContact CE-OE1 3.37Å; K282-E286 HydrophobicContact CG-CG 4.42Å; K282-E286 IonicContact NZ-OE1 3.24Å; K282-E286 WeakPolarHBondContact O-CG 3.49Å; K282-E286 PolarHBondContact O-N 3.28Å; V284-E286 PolarHBondContact O-N 3.06Å; E286-M288 VanDerWaalsContact C-N 3.35Å; E286-M288 PolarHBondContact O-N 3.14Å; E286-E289 WeakPolarHBondContact O-CB 3.48Å; E286-E289 PolarHBondContact O-N 3.23Å; E286-E289 VanDerWaalsContact O-N 3.16Å; E286-Y290 HydrophobicContact CB-CE2 3.91Å; E286-Y290 WeakPolarHBondContact O-CD1 3.27Å; E286-Y290 VanDerWaalsContact O-CD2 3.24Å; E286-Y290 WeakPolarHBondContact O-CD2 3.43Å; E286-Y290 PolarHBondContact O-N 3.26Å |
| 287 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 177 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | F235 P237 M238 V243 F264 P283 V284 E289 Y290 M291 | F235-T287 HydrophobicContact CE2-CG2 4.2Å; P237-T287 WeakPolarHBondContact CA-OG1 3.38Å; M238-T287 HydrophobicContact CG-CG2 4.49Å; M238-T287 PolarHBondContact N-OG1 3.22Å; M238-T287 PolarHBondContact O-OG1 2.88Å; V243-T287 HydrophobicContact CG2-CG2 3.86Å; F264-T287 HydrophobicContact CD2-CG2 4.27Å; F264-T287 HydrophobicContact CE2-CG2 3.52Å; F264-T287 HydrophobicContact CZ-CG2 4.11Å; P283-T287 PolarHBondContact O-N 3.15Å; P283-T287 PolarHBondContact O-OG1 2.97Å; V284-T287 PolarHBondContact O-N 3.14Å; T287-E289 VanDerWaalsContact C-N 3.32Å; T287-E289 PolarHBondContact O-N 3.17Å; T287-Y290 PolarHBondContact O-N 2.78Å; T287-M291 HydrophobicContact CG2-CE 4.26Å; T287-M291 WeakPolarHBondContact O-CG 3.48Å; T287-M291 PolarHBondContact O-N 3.16Å |
| 288 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 170.8 | -70.9 | 171.1 | 61.6 | 0 | 0 | 111.9 | F264 V284 L285 E286 M291 W292 F298 I343 Q346 I347 L350 | F264-M288 HydrophobicContact CD1-CG 4.22Å; F264-M288 HydrophobicContact CE1-CG 3.51Å; F264-M288 HydrophobicContact CE1-SD 4.32Å; F264-M288 HydrophobicContact CZ-CG 4.19Å; V284-M288 HydrophobicContact CG1-SD 4.25Å; V284-M288 WeakPolarHBondContact O-CG 3.16Å; V284-M288 PolarHBondContact O-N 3.2Å; L285-M288 HydrophobicContact CD2-SD 4.33Å; L285-M288 WeakPolarHBondContact O-CB 3.37Å; L285-M288 PolarHBondContact O-N 3Å; E286-M288 VanDerWaalsContact C-N 3.35Å; E286-M288 PolarHBondContact O-N 3.14Å; M288-M291 PolarHBondContact O-N 2.99Å; M288-W292 WeakPolarHBondContact O-CB 3.38Å; M288-W292 PolarHBondContact O-N 2.69Å; M288-F298 HydrophobicContact CB-CE2 4.38Å; M288-F298 HydrophobicContact CB-CZ 4.1Å; M288-F298 HydrophobicContact CE-CE2 4.14Å; M288-F298 HydrophobicContact CE-CZ 4.2Å; M288-F298 HydrophobicContact CG-CE2 3.89Å; M288-F298 HydrophobicContact CG-CZ 4.12Å; M288-I343 HydrophobicContact CE-CG2 4.1Å; M288-I343 HydrophobicContact SD-CG1 4.06Å; M288-I343 HydrophobicContact SD-CG2 4.47Å; M288-Q346 HydrophobicContact CB-CG 4.49Å; M288-Q346 HydrophobicContact CE-CB 4.34Å; M288-Q346 HydrophobicContact CE-CG 4Å; M288-Q346 HydrophobicContact SD-CG 4.44Å; M288-I347 HydrophobicContact CE-CG1 3.93Å; M288-L350 HydrophobicContact CB-CD1 4.27Å |
| 289 | E | 98.9 | Very high | 98.7 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 177 | 175 | 163.5 | -145.3 | 0 | 0 | 112.2 | L285 E286 T287 M291 W292 I293 R349 L350 | L285-E289 PolarHBondContact O-N 3.4Å; E286-E289 WeakPolarHBondContact O-CB 3.48Å; E286-E289 PolarHBondContact O-N 3.23Å; E286-E289 VanDerWaalsContact O-N 3.16Å; T287-E289 VanDerWaalsContact C-N 3.32Å; T287-E289 PolarHBondContact O-N 3.17Å; E289-M291 PolarHBondContact O-N 2.97Å; E289-W292 CarbonylContact O-C 3.31Å; E289-W292 WeakPolarHBondContact O-CA 3.45Å; E289-W292 WeakPolarHBondContact O-CB 3.49Å; E289-W292 PolarHBondContact O-N 2.9Å; E289-I293 HydrophobicContact CG-CD1 3.84Å; E289-I293 HydrophobicContact CG-CG1 4.38Å; E289-I293 WeakPolarHBondContact O-CG1 3.45Å; E289-I293 PolarHBondContact O-N 3.38Å; E289-R349 IonicContact OE1-CZ 3.47Å; E289-R349 IonicContact OE1-NH1 2.78Å; E289-R349 PolarHBondContact OE1-NH1 2.96Å; E289-R349 IonicContact OE1-NH2 2.76Å; E289-R349 PolarHBondContact OE1-NH2 2.75Å; E289-R349 IonicContact OE2-CZ 3.65Å; E289-R349 IonicContact OE2-NH1 3.68Å; E289-R349 IonicContact OE2-NH2 2.7Å; E289-R349 PolarHBondContact OE2-NH2 3.3Å; E289-L350 HydrophobicContact CB-CD2 3.97Å; E289-L350 HydrophobicContact CG-CD2 4.08Å |
| 290 | Y | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.8 | -63.8 | -21.3 | 0 | 0 | 0 | 112.4 | F240 V243 E286 T287 W292 I293 L294 | F240-Y290 HydrophobicContact CB-CD1 3.83Å; F240-Y290 HydrophobicContact CB-CD2 4.03Å; F240-Y290 HydrophobicContact CB-CE1 3.91Å; F240-Y290 HydrophobicContact CB-CE2 4.14Å; F240-Y290 HydrophobicContact CB-CG 3.92Å; F240-Y290 AromaticContact CD2-CD1 3.61Å; F240-Y290 HydrophobicContact CD2-CD1 3.61Å; F240-Y290 HydrophobicContact CD2-CD2 4.42Å; F240-Y290 HydrophobicContact CD2-CE1 4.47Å; F240-Y290 AromaticContact CD2-CG 3.6Å; F240-Y290 HydrophobicContact CD2-CG 3.6Å; F240-Y290 HydrophobicContact CE2-CD1 4.44Å; F240-Y290 AromaticContact CG-CD1 3.98Å; F240-Y290 HydrophobicContact CG-CD1 3.98Å; F240-Y290 HydrophobicContact CG-CE1 4.42Å; F240-Y290 HydrophobicContact CG-CG 4.19Å; V243-Y290 HydrophobicContact CG2-CD2 4.11Å; E286-Y290 HydrophobicContact CB-CE2 3.91Å; E286-Y290 WeakPolarHBondContact O-CD1 3.27Å; E286-Y290 VanDerWaalsContact O-CD2 3.24Å; E286-Y290 WeakPolarHBondContact O-CD2 3.43Å; E286-Y290 PolarHBondContact O-N 3.26Å; T287-Y290 PolarHBondContact O-N 2.78Å; Y290-W292 VanDerWaalsContact C-N 3.26Å; Y290-W292 PolarHBondContact O-N 3.33Å; Y290-I293 PolarHBondContact O-N 3.44Å; Y290-L294 WeakPolarHBondContact O-CG 3.16Å; Y290-L294 PolarHBondContact O-N 2.89Å |
| 291 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 172.6 | -66.8 | -171.1 | -71.2 | 0 | 0 | 110.9 | R43 F235 V243 F247 N261 F264 T287 M288 E289 L294 A296 F298 | R43-M291 PolarHBondContact NH2-O 3.11Å; F235-M291 HydrophobicContact CE2-CG 4.22Å; F235-M291 HydrophobicContact CE2-SD 3.82Å; F235-M291 HydrophobicContact CZ-CG 4.23Å; F235-M291 HydrophobicContact CZ-SD 3.92Å; V243-M291 HydrophobicContact CG1-CG 4.13Å; F247-M291 HydrophobicContact CE2-CB 4.47Å; F247-M291 HydrophobicContact CE2-CG 3.95Å; F247-M291 HydrophobicContact CZ-CG 4.03Å; F247-M291 HydrophobicContact CZ-SD 4.35Å; N261-M291 HydrophobicContact CB-SD 3.49Å; N261-M291 WeakPolarHBondContact CB-SD 3.43Å; N261-M291 PolarHBondContact ND2-SD 2.82Å; N261-M291 VanDerWaalsContact ND2-SD 3.45Å; F264-M291 HydrophobicContact CB-CE 4.07Å; F264-M291 HydrophobicContact CD1-CE 3.82Å; F264-M291 HydrophobicContact CD2-CE 3.64Å; F264-M291 HydrophobicContact CE1-CE 4.14Å; F264-M291 HydrophobicContact CE2-CE 4Å; F264-M291 HydrophobicContact CG-CE 3.55Å; F264-M291 HydrophobicContact CZ-CE 4.23Å; T287-M291 HydrophobicContact CG2-CE 4.26Å; T287-M291 WeakPolarHBondContact O-CG 3.48Å; T287-M291 PolarHBondContact O-N 3.16Å; M288-M291 PolarHBondContact O-N 2.99Å; E289-M291 PolarHBondContact O-N 2.97Å; M291-L294 PolarHBondContact O-N 3.2Å; M291-A296 HydrophobicContact CB-CB 4.26Å; M291-A296 WeakPolarHBondContact O-CB 3.28Å; M291-A296 PolarHBondContact O-N 2.98Å; M291-F298 HydrophobicContact CB-CD1 3.89Å; M291-F298 HydrophobicContact CB-CE1 4.25Å; M291-F298 HydrophobicContact CE-CB 3.9Å; M291-F298 HydrophobicContact CE-CD1 4.04Å; M291-F298 HydrophobicContact CE-CD2 3.84Å; M291-F298 HydrophobicContact CE-CE2 4.36Å; M291-F298 HydrophobicContact CE-CG 3.66Å; M291-F298 HydrophobicContact SD-CB 3.8Å; M291-F298 HydrophobicContact SD-CD1 4.31Å; M291-F298 HydrophobicContact SD-CG 4.09Å |
| 292 | W | 98.6 | Very high | 98.8 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 177 | -166.8 | -103.1 | 0 | 0 | 0 | 112.8 | R43 I45 M288 E289 Y290 L294 N295 F298 L350 T351 | R43-W292 VanDerWaalsContact CD-CZ3 3.48Å; R43-W292 HydrophobicContact CG-CZ3 4.24Å; R43-W292 VanDerWaalsContact CZ-O 3.26Å; R43-W292 VanDerWaalsContact NH1-CE3 3.32Å; R43-W292 PolarHBondContact NH1-O 3.09Å; R43-W292 VanDerWaalsContact NH2-C 3.28Å; R43-W292 PolarHBondContact NH2-O 3.43Å; I45-W292 HydrophobicContact CD1-CE3 4.08Å; I45-W292 HydrophobicContact CD1-CZ3 3.72Å; I45-W292 HydrophobicContact CG1-CE3 4.49Å; I45-W292 HydrophobicContact CG1-CZ3 4.03Å; M288-W292 WeakPolarHBondContact O-CB 3.38Å; M288-W292 PolarHBondContact O-N 2.69Å; E289-W292 CarbonylContact O-C 3.31Å; E289-W292 WeakPolarHBondContact O-CA 3.45Å; E289-W292 WeakPolarHBondContact O-CB 3.49Å; E289-W292 PolarHBondContact O-N 2.9Å; Y290-W292 VanDerWaalsContact C-N 3.26Å; Y290-W292 PolarHBondContact O-N 3.33Å; W292-L294 VanDerWaalsContact C-N 3.25Å; W292-L294 PolarHBondContact O-N 2.75Å; W292-N295 PolarHBondContact O-N 2.97Å; W292-N295 VanDerWaalsContact O-N 3.08Å; W292-F298 HydrophobicContact CE3-CE1 4.47Å; W292-L350 HydrophobicContact CB-CB 4.46Å; W292-L350 HydrophobicContact CB-CD1 3.92Å; W292-L350 HydrophobicContact CB-CD2 3.77Å; W292-L350 HydrophobicContact CB-CG 4.25Å; W292-L350 HydrophobicContact CD2-CB 3.84Å; W292-L350 HydrophobicContact CE3-CB 4.43Å; W292-L350 HydrophobicContact CG-CB 3.81Å; W292-L350 HydrophobicContact CG-CD1 4.15Å; W292-L350 HydrophobicContact CG-CD2 3.82Å; W292-L350 HydrophobicContact CG-CG 4.12Å; W292-L350 WeakPolarHBondContact CZ2-O 3.44Å; W292-L350 PolarHBondContact NE1-O 2.96Å; W292-T351 HydrophobicContact CH2-CG2 3.7Å; W292-T351 HydrophobicContact CZ2-CG2 4.09Å; W292-T351 HydrophobicContact CZ3-CG2 4.24Å |
| 293 | I | 98.5 | Very high | 98.8 | Very high | 109 Ų | 109 | 26.2 Ų | 26.2 | 56% | 0.559 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -58.2 | -37 | 178.4 | -70.9 | 164.5 | 0 | 0 | 0 | 111.6 | F240 E289 Y290 N295 | F240-I293 HydrophobicContact CZ-CG2 4.4Å; E289-I293 HydrophobicContact CG-CD1 3.84Å; E289-I293 HydrophobicContact CG-CG1 4.38Å; E289-I293 WeakPolarHBondContact O-CG1 3.45Å; E289-I293 PolarHBondContact O-N 3.38Å; Y290-I293 PolarHBondContact O-N 3.44Å; I293-N295 PolarHBondContact O-N 3.25Å |
| 294 | L | 98.4 | Very high | 98.8 | Very high | 46 Ų | 46 | 24.1 Ų | 24.1 | 24% | 0.241 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10 | -179.8 | -64.3 | 173.4 | 0 | 0 | 0 | 114.1 | F240 V243 R244 F247 L259 Y290 M291 W292 A296 | F240-L294 HydrophobicContact CE2-CD1 4.02Å; F240-L294 HydrophobicContact CE2-CD2 4.21Å; F240-L294 HydrophobicContact CE2-CG 3.99Å; F240-L294 HydrophobicContact CZ-CD2 4.19Å; F240-L294 HydrophobicContact CZ-CG 4.46Å; V243-L294 HydrophobicContact CG1-CD1 3.82Å; R244-L294 HydrophobicContact CG-CD1 4.1Å; R244-L294 HydrophobicContact CG-CD2 4.42Å; F247-L294 HydrophobicContact CD2-CD1 3.7Å; F247-L294 HydrophobicContact CE2-CD1 4.13Å; L259-L294 HydrophobicContact CD1-CB 4.18Å; Y290-L294 WeakPolarHBondContact O-CG 3.16Å; Y290-L294 PolarHBondContact O-N 2.89Å; M291-L294 PolarHBondContact O-N 3.2Å; W292-L294 VanDerWaalsContact C-N 3.25Å; W292-L294 PolarHBondContact O-N 2.75Å; L294-A296 PolarHBondContact O-N 3.3Å |
| 295 | N | 98.2 | Very high | 98.6 | Very high | 76 Ų | 76 | 24.1 Ų | 24.1 | 41% | 0.406 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 24.7 | -175.1 | -158.6 | 35.1 | 0 | 0 | 0 | 114.7 | W292 I293 | W292-N295 PolarHBondContact O-N 2.97Å; W292-N295 VanDerWaalsContact O-N 3.08Å; I293-N295 PolarHBondContact O-N 3.25Å |
| 296 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -78.5 | 140.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R43 F247 L259 M291 L294 | R43-A296 VanDerWaalsContact CZ-O 3.24Å; R43-A296 PolarHBondContact NE-O 3.47Å; R43-A296 PolarHBondContact NH2-O 3.5Å; F247-A296 HydrophobicContact CE1-CB 4.05Å; F247-A296 HydrophobicContact CE2-CB 3.73Å; F247-A296 HydrophobicContact CZ-CB 3.35Å; L259-A296 HydrophobicContact CB-CB 3.58Å; L259-A296 CarbonylContact O-C 3.2Å; L259-A296 WeakPolarHBondContact O-CA 3.32Å; M291-A296 HydrophobicContact CB-CB 4.26Å; M291-A296 WeakPolarHBondContact O-CB 3.28Å; M291-A296 PolarHBondContact O-N 2.98Å; L294-A296 PolarHBondContact O-N 3.3Å | ||
| 297 | S | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 151.1 | 161.7 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | Y44 L259 V260 N261 | Y44-S297 VanDerWaalsContact CZ-CB 3.47Å; Y44-S297 PolarHBondContact N-OG 3.22Å; Y44-S297 WeakPolarHBondContact O-CA 3.33Å; Y44-S297 WeakPolarHBondContact O-CB 3.47Å; L259-S297 PolarHBondContact O-N 3.05Å; V260-S297 VanDerWaalsContact CA-O 3.3Å; V260-S297 WeakPolarHBondContact CA-O 3.15Å; N261-S297 PolarHBondContact N-O 3.45Å |
| 298 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.1 | 179.3 | 58.5 | -90.2 | 0 | 0 | 0 | 113.7 | Y44 I45 A46 N261 F264 M288 M291 W292 I300 | Y44-F298 PolarHBondContact O-N 3.21Å; I45-F298 HydrophobicContact CD1-CZ 4.16Å; I45-F298 HydrophobicContact CG1-CE1 4.2Å; I45-F298 HydrophobicContact CG1-CE2 4.5Å; I45-F298 HydrophobicContact CG1-CZ 3.97Å; I45-F298 HydrophobicContact CG2-CD2 4.36Å; I45-F298 HydrophobicContact CG2-CE2 3.66Å; I45-F298 HydrophobicContact CG2-CZ 3.92Å; A46-F298 PolarHBondContact N-O 3.35Å; N261-F298 HydrophobicContact CB-CB 4.01Å; N261-F298 CarbonylContact O-C 3.6Å; N261-F298 WeakPolarHBondContact O-CA 3.42Å; F264-F298 HydrophobicContact CD1-CD2 4.49Å; M288-F298 HydrophobicContact CB-CE2 4.38Å; M288-F298 HydrophobicContact CB-CZ 4.1Å; M288-F298 HydrophobicContact CE-CE2 4.14Å; M288-F298 HydrophobicContact CE-CZ 4.2Å; M288-F298 HydrophobicContact CG-CE2 3.89Å; M288-F298 HydrophobicContact CG-CZ 4.12Å; M291-F298 HydrophobicContact CB-CD1 3.89Å; M291-F298 HydrophobicContact CB-CE1 4.25Å; M291-F298 HydrophobicContact CE-CB 3.9Å; M291-F298 HydrophobicContact CE-CD1 4.04Å; M291-F298 HydrophobicContact CE-CD2 3.84Å; M291-F298 HydrophobicContact CE-CE2 4.36Å; M291-F298 HydrophobicContact CE-CG 3.66Å; M291-F298 HydrophobicContact SD-CB 3.8Å; M291-F298 HydrophobicContact SD-CD1 4.31Å; M291-F298 HydrophobicContact SD-CG 4.09Å; W292-F298 HydrophobicContact CE3-CE1 4.47Å; F298-I300 HydrophobicContact CE2-CG1 4.49Å |
| 299 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.9 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | A46 A48 Q75 N261 S262 F264 Y301 | A46-T299 HydrophobicContact CB-CG2 3.86Å; A46-T299 WeakPolarHBondContact CB-OG1 3.26Å; A46-T299 CarbonylContact O-C 3.57Å; A46-T299 WeakPolarHBondContact O-CA 3.36Å; A48-T299 HydrophobicContact CB-CG2 4.16Å; Q75-T299 HydrophobicContact CB-CG2 3.6Å; Q75-T299 HydrophobicContact CG-CG2 4.29Å; Q75-T299 PolarHBondContact OE1-OG1 2.96Å; N261-T299 PolarHBondContact O-N 2.92Å; S262-T299 WeakPolarHBondContact O-CB 3.39Å; F264-T299 WeakPolarHBondContact CA-O 3.49Å; F264-T299 WeakPolarHBondContact CB-O 3.48Å; F264-T299 PolarHBondContact N-O 3.35Å; T299-Y301 PolarHBondContact O-N 2.69Å; T299-Y301 VanDerWaalsContact O-N 3.16Å |
| 300 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 112.4 | 170.3 | -59.9 | 162.5 | 0 | 0 | 0 | 108.5 | A46 A48 F264 A266 F298 V302 F303 P329 I343 | A46-I300 PolarHBondContact O-N 3.33Å; A48-I300 PolarHBondContact N-O 2.9Å; F264-I300 HydrophobicContact CD1-CG1 4.15Å; A266-I300 HydrophobicContact CB-CG2 3.7Å; F298-I300 HydrophobicContact CE2-CG1 4.49Å; I300-V302 CarbonylContact O-C 3.51Å; I300-F303 HydrophobicContact CB-CD2 4.22Å; I300-F303 HydrophobicContact CD1-CD2 4.01Å; I300-F303 HydrophobicContact CD1-CE2 4.27Å; I300-F303 HydrophobicContact CG2-CD2 4.14Å; I300-F303 PolarHBondContact O-N 3.04Å; I300-P329 HydrophobicContact CG2-CG 4.05Å; I300-I343 HydrophobicContact CD1-CD1 4.35Å; I300-I343 HydrophobicContact CD1-CG2 3.76Å |
| 301 | Y | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.1 | -176.9 | -172.4 | -85.1 | 0 | 0 | 0 | 111.5 | A48 H50 Y77 E263 F264 Y265 T299 Y326 | A48-Y301 HydrophobicContact CB-CD2 3.46Å; A48-Y301 VanDerWaalsContact CB-CD2 3.46Å; A48-Y301 HydrophobicContact CB-CE2 4.07Å; A48-Y301 HydrophobicContact CB-CG 4.27Å; H50-Y301 AromaticContact CE1-CE2 3.86Å; H50-Y301 AromaticContact CE1-CZ 3.83Å; H50-Y301 PolarHBondContact CE1-OH 2.94Å; H50-Y301 AromaticContact NE2-CE2 3.54Å; Y77-Y301 HydrophobicContact CD2-CE2 4.49Å; Y77-Y301 AromaticContact CE2-CE2 3.64Å; Y77-Y301 HydrophobicContact CE2-CE2 3.64Å; Y77-Y301 AromaticContact CE2-CZ 3.91Å; Y77-Y301 WeakPolarHBondContact CE2-OH 3.32Å; E263-Y301 HydrophobicContact CB-CG 4.05Å; E263-Y301 HydrophobicContact CG-CD2 3.98Å; E263-Y301 HydrophobicContact CG-CG 3.94Å; E263-Y301 WeakPolarHBondContact OE2-CD1 3.39Å; E263-Y301 VanDerWaalsContact OE2-CE1 3.29Å; E263-Y301 WeakPolarHBondContact OE2-CE1 3.43Å; F264-Y301 PolarHBondContact O-N 2.85Å; Y265-Y301 WeakPolarHBondContact CA-O 3.34Å; Y265-Y301 AromaticContact CD1-CD1 3.96Å; Y265-Y301 HydrophobicContact CD1-CD1 3.96Å; Y265-Y301 AromaticContact CE1-CD1 3.91Å; Y265-Y301 HydrophobicContact CE1-CD1 3.91Å; T299-Y301 PolarHBondContact O-N 2.69Å; T299-Y301 VanDerWaalsContact O-N 3.16Å; Y301-Y326 HydrophobicContact CE1-CE2 4.49Å; Y301-Y326 WeakPolarHBondContact O-CE1 3.33Å |
| 302 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -84.9 | 148.7 | -22 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | A48 I300 Y324 Y326 A328 P329 | A48-V302 HydrophobicContact CB-CB 4.43Å; A48-V302 HydrophobicContact CB-CG1 4.11Å; I300-V302 CarbonylContact O-C 3.51Å; V302-Y324 HydrophobicContact CG1-CE1 4.42Å; V302-Y324 HydrophobicContact CG2-CE1 4.25Å; V302-Y326 HydrophobicContact CG2-CD1 3.86Å; V302-Y326 HydrophobicContact CG2-CD2 4.2Å; V302-Y326 HydrophobicContact CG2-CG 3.69Å; V302-A328 HydrophobicContact CG2-CB 4.18Å; V302-A328 WeakPolarHBondContact O-CB 3.42Å; V302-P329 WeakPolarHBondContact O-CD 3.47Å |
| 303 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -32.8 | 171.5 | -169.1 | -91.8 | 0 | 0 | 0 | 111.1 | A48 V66 A69 L71 I300 P329 L330 Y340 I343 | A48-F303 PolarHBondContact O-N 3.13Å; V66-F303 HydrophobicContact CG2-CD1 3.65Å; V66-F303 HydrophobicContact CG2-CE1 3.94Å; A69-F303 HydrophobicContact CB-CE1 4.36Å; A69-F303 HydrophobicContact CB-CE2 4.17Å; A69-F303 HydrophobicContact CB-CZ 3.49Å; A69-F303 VanDerWaalsContact CB-CZ 3.49Å; L71-F303 HydrophobicContact CD1-CD2 4.37Å; L71-F303 HydrophobicContact CD1-CE2 3.75Å; L71-F303 HydrophobicContact CD1-CZ 4.04Å; L71-F303 HydrophobicContact CD2-CD2 3.89Å; L71-F303 HydrophobicContact CD2-CE2 4.1Å; L71-F303 HydrophobicContact CD2-CG 4.3Å; I300-F303 HydrophobicContact CB-CD2 4.22Å; I300-F303 HydrophobicContact CD1-CD2 4.01Å; I300-F303 HydrophobicContact CD1-CE2 4.27Å; I300-F303 HydrophobicContact CG2-CD2 4.14Å; I300-F303 PolarHBondContact O-N 3.04Å; F303-P329 HydrophobicContact CD2-CB 3.94Å; F303-P329 HydrophobicContact CD2-CG 3.8Å; F303-P329 HydrophobicContact CE2-CB 3.69Å; F303-P329 HydrophobicContact CE2-CG 3.96Å; F303-P329 HydrophobicContact CG-CB 4.44Å; F303-P329 HydrophobicContact CG-CG 4.43Å; F303-P329 HydrophobicContact CZ-CB 3.99Å; F303-P329 WeakPolarHBondContact O-CD 3.2Å; F303-L330 HydrophobicContact CD1-CD1 4.11Å; F303-L330 HydrophobicContact CD1-CG 4.3Å; F303-L330 HydrophobicContact CE1-CD1 3.84Å; F303-L330 HydrophobicContact CE1-CG 3.89Å; F303-L330 PolarHBondContact O-N 2.97Å; F303-Y340 AromaticContact CE1-CD2 3.93Å; F303-Y340 HydrophobicContact CE1-CD2 3.93Å; F303-Y340 AromaticContact CE1-CE2 3.84Å; F303-Y340 HydrophobicContact CE1-CE2 3.84Å; F303-Y340 AromaticContact CZ-CD2 3.55Å; F303-Y340 HydrophobicContact CZ-CD2 3.55Å; F303-Y340 AromaticContact CZ-CE2 3.63Å; F303-Y340 HydrophobicContact CZ-CE2 3.63Å; F303-I343 HydrophobicContact CE2-CG2 4.33Å |
| 304 | H | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 121.6 | 168.6 | 180 | 48.4 | 0 | 0 | 0 | 109.7 | A48 V49 I54 R62 L330 N331 E332 | A48-H304 PolarHBondContact O-N 2.81Å; V49-H304 HydrophobicContact CG2-CB 4.48Å; I54-H304 VanDerWaalsContact CD1-CD2 3.5Å; I54-H304 WeakPolarHBondContact CD1-CD2 3.35Å; R62-H304 WeakPolarHBondContact CD-NE2 3.22Å; R62-H304 PolarHBondContact NE-NE2 3.41Å; H304-L330 HydrophobicContact CB-CB 3.91Å; H304-L330 HydrophobicContact CB-CD1 4.15Å; H304-L330 PolarHBondContact ND1-O 2.79Å; H304-N331 PolarHBondContact CE1-O 3.42Å; H304-N331 PolarHBondContact ND1-O 2.89Å; H304-E332 PolarHBondContact CE1-O 2.94Å |
| 305 | G | 96.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -94.4 | -34.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R53 Y324 | R53-G305 WeakPolarHBondContact CB-O 3.41Å; R53-G305 WeakPolarHBondContact CD-O 3.03Å; G305-Y324 CarbonylContact C-O 3.53Å; G305-Y324 VanDerWaalsContact C-O 3.26Å; G305-Y324 WeakPolarHBondContact CA-O 3.32Å | ||
| 306 | G | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | trans | 71.3 | -145.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y324 | G306-Y324 CarbonylContact O-C 3.47Å; G306-Y324 VanDerWaalsContact O-CA 3.31Å; G306-Y324 WeakPolarHBondContact O-CA 3.47Å; G306-Y324 WeakPolarHBondContact O-CB 3.48Å; G306-Y324 PolarHBondContact O-N 2.81Å | ||
| 307 | S | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 137.8 | -176.7 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | R53 F309 T322 E332 | R53-S307 WeakPolarHBondContact CA-O 3.38Å; R53-S307 WeakPolarHBondContact CB-O 3.28Å; R53-S307 PolarHBondContact O-N 2.94Å; S307-F309 WeakPolarHBondContact O-CD2 3.5Å; S307-F309 PolarHBondContact O-N 2.63Å; S307-T322 CarbonylContact C-O 3.57Å; S307-E332 WeakPolarHBondContact CB-OE1 3.31Å; S307-E332 WeakPolarHBondContact OG-CG 3.32Å; S307-E332 PolarHBondContact OG-OE1 3.06Å |
| 308 | N | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -77.1 | 70.5 | 165.6 | -63 | -53 | 0 | 0 | 0 | 110.3 | R53 T321 T322 | R53-N308 PolarHBondContact NE-OD1 2.72Å; R53-N308 PolarHBondContact NH2-OD1 2.71Å; N308-T321 PolarHBondContact ND2-O 2.73Å; N308-T322 WeakPolarHBondContact CB-O 3.41Å; N308-T322 PolarHBondContact N-O 2.63Å | ||
| 309 | F | 98.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 13 Ų | 13 | 9% | 0.088 | 8% | 0.079 | C | C | . | . | trans | -55.4 | 145.3 | -176.5 | -67.7 | -74.3 | 0 | 0 | 0 | 112.8 | P55 M95 S307 F311 M312 V568 Y582 P584 M587 | P55-F309 HydrophobicContact CG-CE2 4.14Å; P55-F309 HydrophobicContact CG-CZ 4.11Å; M95-F309 HydrophobicContact CE-CD2 3.77Å; M95-F309 HydrophobicContact CE-CE2 4.09Å; M95-F309 HydrophobicContact SD-CD2 4.15Å; M95-F309 HydrophobicContact SD-CE2 4.44Å; S307-F309 WeakPolarHBondContact O-CD2 3.5Å; S307-F309 PolarHBondContact O-N 2.63Å; F309-F311 PolarHBondContact O-N 3.08Å; F309-M312 VanDerWaalsContact O-CG 3.3Å; F309-M312 WeakPolarHBondContact O-CG 3.3Å; F309-M312 PolarHBondContact O-N 3.43Å; F309-V568 WeakPolarHBondContact CD1-O 3.32Å; F309-Y582 HydrophobicContact CZ-CD1 4.34Å; F309-P584 HydrophobicContact CE1-CG 4.08Å; F309-P584 HydrophobicContact CZ-CG 3.94Å; F309-M587 HydrophobicContact CD1-CE 3.56Å; F309-M587 HydrophobicContact CD1-SD 4.5Å; F309-M587 HydrophobicContact CE1-CE 3.65Å; F309-M587 HydrophobicContact CE1-SD 4.38Å; F309-M587 HydrophobicContact CG-CE 4.12Å; F309-M587 HydrophobicContact CZ-CE 4.27Å | ||
| 310 | G | 97.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 13 Ų | 13 | 8% | 0.082 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -111.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q560 N567 V568 | G310-Q560 PolarHBondContact O-NE2 2.85Å; G310-Q560 VanDerWaalsContact O-NE2 3.14Å; G310-N567 WeakPolarHBondContact CA-ND2 3.39Å; G310-N567 WeakPolarHBondContact CA-OD1 3.42Å; G310-N567 PolarHBondContact N-O 3.21Å; G310-V568 PolarHBondContact N-O 2.82Å |
| 311 | F | 98 | Very high | 97.4 | Very high | 29 Ų | 29 | 13 Ų | 13 | 13% | 0.127 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 18.8 | -174.4 | -55.8 | -57.5 | 0 | 0 | 0 | 113 | F309 Y407 G408 Q560 Y562 N567 | F309-F311 PolarHBondContact O-N 3.08Å; F311-Y407 HydrophobicContact CB-CD1 4.47Å; F311-Y407 HydrophobicContact CB-CG 4.12Å; F311-Y407 VanDerWaalsContact CD2-CB 3.47Å; F311-Y407 HydrophobicContact CD2-CG 4.39Å; F311-G408 VanDerWaalsContact CZ-CA 3.49Å; F311-Q560 HydrophobicContact CE1-CG 3.95Å; F311-Q560 HydrophobicContact CZ-CG 4.24Å; F311-Y562 WeakPolarHBondContact CZ-OH 3.46Å; F311-N567 WeakPolarHBondContact CE2-ND2 3.45Å; F311-N567 VanDerWaalsContact CZ-ND2 3.33Å; F311-N567 WeakPolarHBondContact CZ-ND2 3.33Å |
| 312 | M | 98.1 | Very high | 97.4 | Very high | 29 Ų | 29 | 12.9 Ų | 12.9 | 14% | 0.143 | 8% | 0.079 | C | C | . | . | trans | -88.3 | -2.6 | -167.8 | -61.2 | -63.3 | 100.5 | 0 | 0 | 114.7 | W124 E125 F309 Y407 | W124-M312 HydrophobicContact CD2-CB 4.13Å; W124-M312 HydrophobicContact CE3-CB 3.91Å; W124-M312 HydrophobicContact CH2-CB 3.25Å; W124-M312 HydrophobicContact CH2-CG 3.58Å; W124-M312 HydrophobicContact CH2-SD 4.44Å; W124-M312 HydrophobicContact CZ2-CB 3.47Å; W124-M312 VanDerWaalsContact CZ2-CB 3.47Å; W124-M312 HydrophobicContact CZ2-CG 3.57Å; W124-M312 HydrophobicContact CZ2-SD 3.82Å; W124-M312 HydrophobicContact CZ3-CB 3.47Å; W124-M312 VanDerWaalsContact CZ3-CB 3.47Å; W124-M312 HydrophobicContact CZ3-CG 4.31Å; E125-M312 WeakPolarHBondContact CB-O 3.13Å; E125-M312 PolarHBondContact N-O 3Å; F309-M312 VanDerWaalsContact O-CG 3.3Å; F309-M312 WeakPolarHBondContact O-CG 3.3Å; F309-M312 PolarHBondContact O-N 3.43Å; M312-Y407 HydrophobicContact CE-CD1 4.25Å; M312-Y407 HydrophobicContact CE-CD2 3.91Å; M312-Y407 HydrophobicContact CE-CE1 4.03Å; M312-Y407 HydrophobicContact CE-CE2 3.66Å; M312-Y407 HydrophobicContact CE-CG 4.21Å | ||
| 313 | S | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -72.6 | 132 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | V320 | S313-V320 WeakPolarHBondContact CB-O 3.42Å |
| 314 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -84.4 | -172.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E123 V320 R475 | E123-G314 PolarHBondContact O-N 3.15Å; G314-V320 WeakPolarHBondContact O-CB 3.48Å; G314-V320 WeakPolarHBondContact O-CG2 3.22Å; G314-V320 PolarHBondContact O-N 3.17Å; G314-R475 WeakPolarHBondContact CA-O 3.38Å | ||
| 315 | I | 96.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 13.5 Ų | 13.5 | 10% | 0.097 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -113.2 | 126.4 | 169.5 | -66.3 | -178.7 | 0 | 0 | 0 | 109 | P319 L473 G474 R475 Q476 T477 | I315-P319 HydrophobicContact CD1-CG 4.34Å; I315-P319 HydrophobicContact CG1-CB 4.24Å; I315-P319 HydrophobicContact CG1-CG 4.25Å; I315-L473 HydrophobicContact CD1-CB 4.03Å; I315-G474 WeakPolarHBondContact CD1-O 3.44Å; I315-G474 WeakPolarHBondContact CG1-O 3.41Å; I315-R475 PolarHBondContact N-O 2.93Å; I315-Q476 WeakPolarHBondContact O-CA 3.34Å; I315-T477 PolarHBondContact O-N 2.89Å; I315-T477 PolarHBondContact O-OG1 3.34Å |
| 316 | S | 94 | Very high | 97.3 | Very high | 25 Ų | 25 | 13.7 Ų | 13.7 | 18% | 0.175 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -95.7 | -106.9 | 165.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | E271 L318 F478 | E271-S316 WeakPolarHBondContact OE1-CB 3.45Å; S316-L318 PolarHBondContact N-O 3.13Å; S316-L318 VanDerWaalsContact N-O 3.08Å; S316-F478 WeakPolarHBondContact O-CE2 3.25Å |
| 317 | A | 92.5 | Very high | 97.3 | Very high | 65 Ų | 65 | 15 Ų | 15 | 54% | 0.537 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -80 | -34.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | E271 | E271-A317 PolarHBondContact OE1-N 3.34Š|
| 318 | L | 94.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 15 Ų | 15 | 32% | 0.319 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -131.1 | 167.5 | 174.8 | -66.6 | 173.5 | 0 | 0 | 0 | 108.7 | E271 R274 S316 V320 | E271-L318 HydrophobicContact CB-CB 3.97Å; E271-L318 HydrophobicContact CG-CB 4.43Å; E271-L318 PolarHBondContact OE1-N 3.13Å; R274-L318 HydrophobicContact CG-CD1 4.11Å; S316-L318 PolarHBondContact N-O 3.13Å; S316-L318 VanDerWaalsContact N-O 3.08Å; L318-V320 PolarHBondContact O-N 2.84Å |
| 319 | P | 96.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 15 Ų | 15 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 131.1 | 174.9 | -20.8 | 32.8 | 0 | 0 | 0 | 111.2 | E271 W272 I315 L473 | E271-P319 WeakPolarHBondContact CA-O 3.21Å; W272-P319 VanDerWaalsContact CD1-O 3.26Å; W272-P319 PolarHBondContact N-O 3.23Å; I315-P319 HydrophobicContact CD1-CG 4.34Å; I315-P319 HydrophobicContact CG1-CB 4.24Å; I315-P319 HydrophobicContact CG1-CG 4.25Å; P319-L473 HydrophobicContact CB-CB 4.25Å; P319-L473 HydrophobicContact CG-CB 3.86Å; P319-L473 HydrophobicContact CG-CD1 3.92Å; P319-L473 HydrophobicContact CG-CG 4.45Å |
| 320 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 148.5 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | E123 F269 D270 W272 S313 G314 L318 Y324 | E123-V320 HydrophobicContact CB-CB 4.49Å; E123-V320 HydrophobicContact CB-CG1 4.09Å; E123-V320 HydrophobicContact CB-CG2 3.83Å; E123-V320 HydrophobicContact CG-CG2 4.02Å; F269-V320 HydrophobicContact CD2-CG1 4.47Å; F269-V320 HydrophobicContact CD2-CG2 4.16Å; F269-V320 HydrophobicContact CE2-CG2 4.22Å; D270-V320 WeakPolarHBondContact O-CA 3.46Å; W272-V320 PolarHBondContact NE1-O 2.76Å; S313-V320 WeakPolarHBondContact CB-O 3.42Å; G314-V320 WeakPolarHBondContact O-CB 3.48Å; G314-V320 WeakPolarHBondContact O-CG2 3.22Å; G314-V320 PolarHBondContact O-N 3.17Å; L318-V320 PolarHBondContact O-N 2.84Å; V320-Y324 HydrophobicContact CG1-CD2 4.27Å; V320-Y324 HydrophobicContact CG1-CE2 4.47Å |
| 321 | T | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 160 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | D270 W272 N308 S323 P577 Q578 | D270-T321 HydrophobicContact CB-CG2 3.82Å; D270-T321 VanDerWaalsContact CB-OG1 3.29Å; D270-T321 WeakPolarHBondContact CB-OG1 3.05Å; D270-T321 PolarHBondContact O-N 2.84Å; D270-T321 VanDerWaalsContact O-N 3.07Å; D270-T321 PolarHBondContact O-OG1 3.45Å; W272-T321 HydrophobicContact CD2-CG2 3.88Å; W272-T321 HydrophobicContact CE3-CG2 4.15Å; W272-T321 HydrophobicContact CG-CG2 4.25Å; W272-T321 HydrophobicContact CH2-CG2 4.5Å; W272-T321 HydrophobicContact CZ2-CG2 4.25Å; W272-T321 HydrophobicContact CZ3-CG2 4.46Å; N308-T321 PolarHBondContact ND2-O 2.73Å; T321-S323 VanDerWaalsContact C-N 3.32Å; T321-S323 CarbonylContact C-O 3.59Å; T321-S323 PolarHBondContact OG1-O 2.81Å; T321-P577 HydrophobicContact CG2-CG 4.49Å; T321-Q578 HydrophobicContact CG2-CB 4.14Å |
| 322 | T | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -66 | -40.6 | 170.6 | -73.2 | 0 | 0 | 0 | 0 | 110.3 | S307 N308 Y324 R570 L581 | S307-T322 CarbonylContact C-O 3.57Å; N308-T322 WeakPolarHBondContact CB-O 3.41Å; N308-T322 PolarHBondContact N-O 2.63Å; T322-Y324 PolarHBondContact O-N 3.22Å; T322-R570 PolarHBondContact OG1-N 3.19Å; T322-R570 VanDerWaalsContact OG1-N 3.13Å; T322-R570 PolarHBondContact OG1-O 3.16Å; T322-R570 VanDerWaalsContact OG1-O 3.07Å; T322-L581 HydrophobicContact CG2-CD2 4.03Å |
| 323 | S | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -64.8 | 131.8 | 167.7 | -173.7 | 0 | 0 | 0 | 0 | 109 | T321 D325 E332 Q578 | T321-S323 VanDerWaalsContact C-N 3.32Å; T321-S323 CarbonylContact C-O 3.59Å; T321-S323 PolarHBondContact OG1-O 2.81Å; S323-D325 WeakPolarHBondContact OG-CB 3.39Å; S323-D325 PolarHBondContact OG-N 3.29Å; S323-E332 WeakPolarHBondContact CA-OE1 3.45Å; S323-E332 VanDerWaalsContact CB-OE2 3.3Å; S323-E332 WeakPolarHBondContact CB-OE2 3.5Å; S323-E332 PolarHBondContact OG-OE1 2.88Å; S323-E332 PolarHBondContact OG-OE2 2.92Å; S323-Q578 VanDerWaalsContact N-CD 3.34Å |
| 324 | Y | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -116.4 | 40.6 | 165.6 | -157.1 | -100.9 | 0 | 0 | 0 | 108.7 | A122 E123 F269 V302 G305 G306 V320 T322 Y326 | A122-Y324 PolarHBondContact O-OH 3.48Å; E123-Y324 HydrophobicContact CB-CE2 3.7Å; E123-Y324 HydrophobicContact CG-CE2 4.34Å; E123-Y324 PolarHBondContact OE2-OH 2.88Å; F269-Y324 HydrophobicContact CB-CD2 4.15Å; F269-Y324 HydrophobicContact CB-CE2 3.55Å; F269-Y324 HydrophobicContact CG-CE2 4.39Å; V302-Y324 HydrophobicContact CG1-CE1 4.42Å; V302-Y324 HydrophobicContact CG2-CE1 4.25Å; G305-Y324 CarbonylContact C-O 3.53Å; G305-Y324 VanDerWaalsContact C-O 3.26Å; G305-Y324 WeakPolarHBondContact CA-O 3.32Å; G306-Y324 CarbonylContact O-C 3.47Å; G306-Y324 VanDerWaalsContact O-CA 3.31Å; G306-Y324 WeakPolarHBondContact O-CA 3.47Å; G306-Y324 WeakPolarHBondContact O-CB 3.48Å; G306-Y324 PolarHBondContact O-N 2.81Å; V320-Y324 HydrophobicContact CG1-CD2 4.27Å; V320-Y324 HydrophobicContact CG1-CE2 4.47Å; T322-Y324 PolarHBondContact O-N 3.22Å; Y324-Y326 HydrophobicContact CD1-CD2 4.15Å; Y324-Y326 AromaticContact CE1-CD2 3.46Å; Y324-Y326 HydrophobicContact CE1-CD2 3.46Å; Y324-Y326 VanDerWaalsContact CE1-CD2 3.46Å; Y324-Y326 AromaticContact CE1-CE2 3.97Å; Y324-Y326 HydrophobicContact CE1-CE2 3.97Å; Y324-Y326 HydrophobicContact CE1-CG 4.32Å; Y324-Y326 HydrophobicContact CE2-CD2 4.07Å; Y324-Y326 HydrophobicContact CE2-CE2 4.4Å; Y324-Y326 AromaticContact CZ-CD2 3.47Å; Y324-Y326 VanDerWaalsContact CZ-CD2 3.47Å; Y324-Y326 AromaticContact CZ-CE2 3.66Å; Y324-Y326 PolarHBondContact O-N 3.43Å; Y324-Y326 WeakPolarHBondContact OH-CE2 3.31Å | ||
| 325 | D | 96.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 13.5 Ų | 13.5 | 8% | 0.075 | 8% | 0.083 | C | C | . | . | trans | -49.6 | -40.5 | 175.7 | 179.6 | -95.2 | 0 | 0 | 0 | 111.8 | H276 S323 D327 A328 N331 E332 L624 | H276-D325 IonicContact CE1-OD1 3.88Å; S323-D325 WeakPolarHBondContact OG-CB 3.39Å; S323-D325 PolarHBondContact OG-N 3.29Å; D325-D327 PolarHBondContact O-N 3.29Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 WeakPolarHBondContact OD1-CA 3.33Å; D325-D327 PolarHBondContact OD1-N 2.83Å; D325-A328 WeakPolarHBondContact O-CB 3.44Å; D325-A328 PolarHBondContact O-N 2.98Å; D325-N331 WeakPolarHBondContact OD2-CA 3.47Å; D325-N331 VanDerWaalsContact OD2-CB 3.29Å; D325-N331 WeakPolarHBondContact OD2-CB 3.3Å; D325-E332 HydrophobicContact CB-CB 4.05Å; D325-E332 PolarHBondContact OD2-N 2.74Å; D325-L624 HydrophobicContact CB-CD1 3.96Å | ||
| 326 | Y | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 7 | 174.9 | -152.6 | -91.8 | 0 | 0 | 0 | 113.7 | G267 W268 F269 Y301 V302 Y324 A328 | G267-Y326 VanDerWaalsContact C-CD1 3.45Å; G267-Y326 CarbonylContact C-O 3.44Å; G267-Y326 VanDerWaalsContact C-O 3.31Å; G267-Y326 WeakPolarHBondContact CA-O 3.44Å; G267-Y326 WeakPolarHBondContact O-CE1 3.48Å; W268-Y326 PolarHBondContact N-O 2.69Å; W268-Y326 CarbonylContact O-C 3.51Å; W268-Y326 WeakPolarHBondContact O-CA 3.24Å; F269-Y326 HydrophobicContact CB-CD2 3.69Å; F269-Y326 HydrophobicContact CB-CE2 3.82Å; F269-Y326 HydrophobicContact CD1-CE2 4.01Å; F269-Y326 HydrophobicContact CG-CE2 4.44Å; F269-Y326 VanDerWaalsContact N-CD2 3.32Å; Y301-Y326 HydrophobicContact CE1-CE2 4.49Å; Y301-Y326 WeakPolarHBondContact O-CE1 3.33Å; V302-Y326 HydrophobicContact CG2-CD1 3.86Å; V302-Y326 HydrophobicContact CG2-CD2 4.2Å; V302-Y326 HydrophobicContact CG2-CG 3.69Å; Y324-Y326 HydrophobicContact CD1-CD2 4.15Å; Y324-Y326 AromaticContact CE1-CD2 3.46Å; Y324-Y326 HydrophobicContact CE1-CD2 3.46Å; Y324-Y326 VanDerWaalsContact CE1-CD2 3.46Å; Y324-Y326 AromaticContact CE1-CE2 3.97Å; Y324-Y326 HydrophobicContact CE1-CE2 3.97Å; Y324-Y326 HydrophobicContact CE1-CG 4.32Å; Y324-Y326 HydrophobicContact CE2-CD2 4.07Å; Y324-Y326 HydrophobicContact CE2-CE2 4.4Å; Y324-Y326 AromaticContact CZ-CD2 3.47Å; Y324-Y326 VanDerWaalsContact CZ-CD2 3.47Å; Y324-Y326 AromaticContact CZ-CE2 3.66Å; Y324-Y326 PolarHBondContact O-N 3.43Å; Y324-Y326 WeakPolarHBondContact OH-CE2 3.31Å; Y326-A328 PolarHBondContact O-N 3.17Å |
| 327 | D | 97.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 15 Ų | 15 | 16% | 0.155 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 39.7 | -161.1 | 178.7 | 34.4 | 0 | 0 | 0 | 110.6 | S277 V278 T279 D325 K339 | S277-D327 VanDerWaalsContact O-CB 3.32Å; S277-D327 WeakPolarHBondContact O-CB 3.4Å; V278-D327 WeakPolarHBondContact CA-OD2 3.39Å; T279-D327 PolarHBondContact N-OD2 2.92Å; D325-D327 PolarHBondContact O-N 3.29Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 WeakPolarHBondContact OD1-CA 3.33Å; D325-D327 PolarHBondContact OD1-N 2.83Å; D327-K339 PolarHBondContact O-NZ 2.5Å; D327-K339 IonicContact OD1-NZ 3.54Å; D327-K339 PolarHBondContact OD1-NZ 3.26Å; D327-K339 VanDerWaalsContact OD1-NZ 3.08Å; D327-K339 IonicContact OD2-NZ 2.87Å; D327-K339 PolarHBondContact OD2-NZ 3.45Å |
| 328 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | trans | -71.8 | 159.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | V302 D325 Y326 L330 | V302-A328 HydrophobicContact CG2-CB 4.18Å; V302-A328 WeakPolarHBondContact O-CB 3.42Å; D325-A328 WeakPolarHBondContact O-CB 3.44Å; D325-A328 PolarHBondContact O-N 2.98Å; Y326-A328 PolarHBondContact O-N 3.17Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 WeakPolarHBondContact CB-O 3.45Å; A328-L330 PolarHBondContact O-N 2.92Å | ||
| 329 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -50.9 | -45 | 171.9 | -28.5 | 36.1 | 0 | 0 | 0 | 112.9 | I300 V302 F303 T337 K339 Y340 I343 | I300-P329 HydrophobicContact CG2-CG 4.05Å; V302-P329 WeakPolarHBondContact O-CD 3.47Å; F303-P329 HydrophobicContact CD2-CB 3.94Å; F303-P329 HydrophobicContact CD2-CG 3.8Å; F303-P329 HydrophobicContact CE2-CB 3.69Å; F303-P329 HydrophobicContact CE2-CG 3.96Å; F303-P329 HydrophobicContact CG-CB 4.44Å; F303-P329 HydrophobicContact CG-CG 4.43Å; F303-P329 HydrophobicContact CZ-CB 3.99Å; F303-P329 WeakPolarHBondContact O-CD 3.2Å; P329-T337 WeakPolarHBondContact O-CB 3.47Å; P329-T337 VanDerWaalsContact O-CG2 3.24Å; P329-T337 WeakPolarHBondContact O-CG2 3.49Å; P329-T337 PolarHBondContact O-OG1 3.17Å; P329-K339 HydrophobicContact CG-CD 4.43Å; P329-Y340 HydrophobicContact CB-CD2 4.49Å; P329-Y340 VanDerWaalsContact O-CB 3.27Å; P329-Y340 WeakPolarHBondContact O-CB 3.2Å; P329-I343 HydrophobicContact CB-CD1 4.04Å; P329-I343 HydrophobicContact CG-CD1 3.47Å; P329-I343 VanDerWaalsContact CG-CD1 3.47Å |
| 330 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -97.1 | 123.5 | 165.7 | -67.2 | 175.3 | 0 | 0 | 0 | 109.7 | K65 F303 H304 A328 I336 Y340 | K65-L330 HydrophobicContact CB-CD1 3.73Å; K65-L330 HydrophobicContact CB-CD2 4.21Å; K65-L330 HydrophobicContact CD-CD1 4.32Å; K65-L330 HydrophobicContact CD-CD2 4.05Å; F303-L330 HydrophobicContact CD1-CD1 4.11Å; F303-L330 HydrophobicContact CD1-CG 4.3Å; F303-L330 HydrophobicContact CE1-CD1 3.84Å; F303-L330 HydrophobicContact CE1-CG 3.89Å; F303-L330 PolarHBondContact O-N 2.97Å; H304-L330 HydrophobicContact CB-CB 3.91Å; H304-L330 HydrophobicContact CB-CD1 4.15Å; H304-L330 PolarHBondContact ND1-O 2.79Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 WeakPolarHBondContact CB-O 3.45Å; A328-L330 PolarHBondContact O-N 2.92Å; L330-I336 HydrophobicContact CD2-CG1 4.19Å; L330-Y340 HydrophobicContact CD2-CD2 3.54Å; L330-Y340 HydrophobicContact CD2-CE2 3.73Å; L330-Y340 HydrophobicContact CD2-CG 4.4Å; L330-Y340 HydrophobicContact CG-CD2 3.89Å; L330-Y340 HydrophobicContact CG-CE2 4.14Å |
| 331 | N | 97.3 | Very high | 98 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 14% | 0.139 | 10% | 0.1 | C | C | . | . | trans | -64.4 | 176 | 179.1 | 78 | 2.4 | 0 | 0 | 0 | 112.1 | H304 D325 A333 G334 D335 T337 | H304-N331 PolarHBondContact CE1-O 3.42Å; H304-N331 PolarHBondContact ND1-O 2.89Å; D325-N331 WeakPolarHBondContact OD2-CA 3.47Å; D325-N331 VanDerWaalsContact OD2-CB 3.29Å; D325-N331 WeakPolarHBondContact OD2-CB 3.3Å; N331-A333 PolarHBondContact O-N 3.3Å; N331-A333 VanDerWaalsContact O-N 3.15Å; N331-A333 PolarHBondContact OD1-N 3.24Å; N331-G334 WeakPolarHBondContact O-CA 3.2Å; N331-G334 PolarHBondContact O-N 3.47Å; N331-G334 PolarHBondContact OD1-N 2.71Å; N331-D335 PolarHBondContact N-O 3.24Å; N331-D335 PolarHBondContact OD1-N 3.44Å; N331-T337 HydrophobicContact CB-CG2 4.02Å | ||
| 332 | E | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -41.8 | 178.9 | 178.4 | 172.2 | -155.3 | 0 | 0 | 113.8 | H304 S307 S323 D325 G334 Y582 | H304-E332 PolarHBondContact CE1-O 2.94Å; S307-E332 WeakPolarHBondContact CB-OE1 3.31Å; S307-E332 WeakPolarHBondContact OG-CG 3.32Å; S307-E332 PolarHBondContact OG-OE1 3.06Å; S323-E332 WeakPolarHBondContact CA-OE1 3.45Å; S323-E332 VanDerWaalsContact CB-OE2 3.3Å; S323-E332 WeakPolarHBondContact CB-OE2 3.5Å; S323-E332 PolarHBondContact OG-OE1 2.88Å; S323-E332 PolarHBondContact OG-OE2 2.92Å; D325-E332 HydrophobicContact CB-CB 4.05Å; D325-E332 PolarHBondContact OD2-N 2.74Å; E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 2.72Å; E332-Y582 HydrophobicContact CG-CD1 4.4Å; E332-Y582 HydrophobicContact CG-CG 4.31Å |
| 333 | A | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R62 N331 F550 Y582 | R62-A333 PolarHBondContact NH2-O 2.9Å; N331-A333 PolarHBondContact O-N 3.3Å; N331-A333 VanDerWaalsContact O-N 3.15Å; N331-A333 PolarHBondContact OD1-N 3.24Å; A333-F550 HydrophobicContact CB-CZ 3.99Å; A333-Y582 HydrophobicContact CB-CD2 3.96Å; A333-Y582 HydrophobicContact CB-CE2 3.59Å |
| 334 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | 78.8 | 21 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R62 K65 N331 E332 | R62-G334 VanDerWaalsContact CZ-CA 3.46Å; K65-G334 VanDerWaalsContact CD-O 3.28Å; K65-G334 WeakPolarHBondContact CD-O 3.49Å; K65-G334 WeakPolarHBondContact CE-O 3.45Å; K65-G334 PolarHBondContact NZ-O 2.95Å; N331-G334 WeakPolarHBondContact O-CA 3.2Å; N331-G334 PolarHBondContact O-N 3.47Å; N331-G334 PolarHBondContact OD1-N 2.71Å; E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 2.72Å | ||
| 335 | D | 97.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 149.8 | 177.3 | -56.4 | -40.6 | 0 | 0 | 0 | 111.6 | N331 T337 A362 K365 | N331-D335 PolarHBondContact N-O 3.24Å; N331-D335 PolarHBondContact OD1-N 3.44Å; D335-T337 PolarHBondContact O-N 3.25Å; D335-A362 WeakPolarHBondContact OD1-CB 3.42Å; D335-K365 IonicContact OD1-NZ 2.78Å; D335-K365 PolarHBondContact OD1-NZ 2.73Å; D335-K365 VanDerWaalsContact OD2-CE 3.22Å; D335-K365 WeakPolarHBondContact OD2-CE 3.29Å; D335-K365 IonicContact OD2-NZ 3.23Å; D335-K365 PolarHBondContact OD2-NZ 3.16Å |
| 336 | I | 98.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 22.8 Ų | 22.8 | 25% | 0.251 | 14% | 0.135 | S | C | . | . | B | Isolated β-bridge | trans | -72.9 | 121.6 | 177 | -69.5 | 170.5 | 0 | 0 | 0 | 108.9 | L330 Y340 L341 L359 P360 | L330-I336 HydrophobicContact CD2-CG1 4.19Å; I336-Y340 HydrophobicContact CB-CD1 4.27Å; I336-Y340 HydrophobicContact CD1-CE1 4.11Å; I336-Y340 HydrophobicContact CG1-CD1 4.09Å; I336-Y340 HydrophobicContact CG1-CE1 4.01Å; I336-Y340 HydrophobicContact CG1-CE2 4.49Å; I336-Y340 HydrophobicContact CG1-CG 4.4Å; I336-Y340 HydrophobicContact CG2-CD1 3.48Å; I336-Y340 VanDerWaalsContact CG2-CD1 3.48Å; I336-Y340 HydrophobicContact CG2-CE1 4.06Å; I336-Y340 HydrophobicContact CG2-CG 4.01Å; I336-L341 HydrophobicContact CG2-CD1 4.41Å; I336-L341 HydrophobicContact CG2-CD2 3.73Å; I336-L341 HydrophobicContact CG2-CG 3.77Å; I336-L359 HydrophobicContact CD1-CB 4.06Å; I336-L359 HydrophobicContact CD1-CD2 3.98Å; I336-P360 WeakPolarHBondContact CD1-O 3.33Å |
| 337 | T | 97.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 167.7 | 178 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | P329 N331 D335 K339 Y340 L341 | P329-T337 WeakPolarHBondContact O-CB 3.47Å; P329-T337 VanDerWaalsContact O-CG2 3.24Å; P329-T337 WeakPolarHBondContact O-CG2 3.49Å; P329-T337 PolarHBondContact O-OG1 3.17Å; N331-T337 HydrophobicContact CB-CG2 4.02Å; D335-T337 PolarHBondContact O-N 3.25Å; T337-K339 PolarHBondContact O-N 3.37Å; T337-K339 PolarHBondContact OG1-N 2.64Å; T337-Y340 WeakPolarHBondContact O-CB 3.44Å; T337-Y340 PolarHBondContact O-N 3.05Å; T337-Y340 VanDerWaalsContact O-N 3.14Å; T337-Y340 PolarHBondContact OG1-N 2.9Å; T337-Y340 VanDerWaalsContact OG1-N 3.12Å; T337-L341 PolarHBondContact O-N 3.43Å; T337-L341 VanDerWaalsContact O-N 3.11Å |
| 338 | P | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 24.3 Ų | 24.3 | 64% | 0.636 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -54.7 | -35.1 | 167.9 | -28 | 36.7 | 0 | 0 | 0 | 113.2 | I281 L341 A342 | I281-P338 HydrophobicContact CD1-CB 4.1Å; P338-L341 PolarHBondContact O-N 3.13Å; P338-A342 WeakPolarHBondContact O-CB 3.49Å; P338-A342 PolarHBondContact O-N 2.81Å |
| 339 | K | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.8 | -173.5 | -179.3 | -62.7 | 177 | 0 | 111.6 | A266 T279 I281 D327 P329 T337 A342 I343 | A266-K339 PolarHBondContact O-NZ 3.04Å; T279-K339 WeakPolarHBondContact O-CE 3.32Å; T279-K339 PolarHBondContact O-NZ 3.05Å; T279-K339 VanDerWaalsContact O-NZ 3.13Å; I281-K339 HydrophobicContact CD1-CB 4.22Å; I281-K339 HydrophobicContact CG1-CB 3.99Å; I281-K339 HydrophobicContact CG1-CG 4.18Å; D327-K339 PolarHBondContact O-NZ 2.5Å; D327-K339 IonicContact OD1-NZ 3.54Å; D327-K339 PolarHBondContact OD1-NZ 3.26Å; D327-K339 VanDerWaalsContact OD1-NZ 3.08Å; D327-K339 IonicContact OD2-NZ 2.87Å; D327-K339 PolarHBondContact OD2-NZ 3.45Å; P329-K339 HydrophobicContact CG-CD 4.43Å; T337-K339 PolarHBondContact O-N 3.37Å; T337-K339 PolarHBondContact OG1-N 2.64Å; K339-A342 PolarHBondContact O-N 3.46Å; K339-I343 HydrophobicContact CG-CD1 3.9Å; K339-I343 WeakPolarHBondContact O-CB 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.31Å; K339-I343 WeakPolarHBondContact O-CG1 3.46Å; K339-I343 PolarHBondContact O-N 2.75Å |
| 340 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 172.9 | 176.1 | -75.2 | 0 | 0 | 0 | 111.9 | K65 A68 A69 F303 P329 L330 I336 T337 A342 I343 R344 L359 | K65-Y340 HydrophobicContact CB-CE2 4.39Å; K65-Y340 WeakPolarHBondContact O-CE2 3.36Å; K65-Y340 PolarHBondContact O-OH 3.45Å; A68-Y340 PolarHBondContact O-OH 3.48Å; A69-Y340 HydrophobicContact CB-CD2 4.27Å; A69-Y340 HydrophobicContact CB-CE1 4.27Å; A69-Y340 HydrophobicContact CB-CE2 3.6Å; A69-Y340 PolarHBondContact N-OH 2.99Å; A69-Y340 VanDerWaalsContact N-OH 3.09Å; F303-Y340 AromaticContact CE1-CD2 3.93Å; F303-Y340 HydrophobicContact CE1-CD2 3.93Å; F303-Y340 AromaticContact CE1-CE2 3.84Å; F303-Y340 HydrophobicContact CE1-CE2 3.84Å; F303-Y340 AromaticContact CZ-CD2 3.55Å; F303-Y340 HydrophobicContact CZ-CD2 3.55Å; F303-Y340 AromaticContact CZ-CE2 3.63Å; F303-Y340 HydrophobicContact CZ-CE2 3.63Å; P329-Y340 HydrophobicContact CB-CD2 4.49Å; P329-Y340 VanDerWaalsContact O-CB 3.27Å; P329-Y340 WeakPolarHBondContact O-CB 3.2Å; L330-Y340 HydrophobicContact CD2-CD2 3.54Å; L330-Y340 HydrophobicContact CD2-CE2 3.73Å; L330-Y340 HydrophobicContact CD2-CG 4.4Å; L330-Y340 HydrophobicContact CG-CD2 3.89Å; L330-Y340 HydrophobicContact CG-CE2 4.14Å; I336-Y340 HydrophobicContact CB-CD1 4.27Å; I336-Y340 HydrophobicContact CD1-CE1 4.11Å; I336-Y340 HydrophobicContact CG1-CD1 4.09Å; I336-Y340 HydrophobicContact CG1-CE1 4.01Å; I336-Y340 HydrophobicContact CG1-CE2 4.49Å; I336-Y340 HydrophobicContact CG1-CG 4.4Å; I336-Y340 HydrophobicContact CG2-CD1 3.48Å; I336-Y340 VanDerWaalsContact CG2-CD1 3.48Å; I336-Y340 HydrophobicContact CG2-CE1 4.06Å; I336-Y340 HydrophobicContact CG2-CG 4.01Å; T337-Y340 WeakPolarHBondContact O-CB 3.44Å; T337-Y340 PolarHBondContact O-N 3.05Å; T337-Y340 VanDerWaalsContact O-N 3.14Å; T337-Y340 PolarHBondContact OG1-N 2.9Å; T337-Y340 VanDerWaalsContact OG1-N 3.12Å; Y340-A342 VanDerWaalsContact C-N 3.29Å; Y340-A342 PolarHBondContact O-N 2.94Å; Y340-I343 PolarHBondContact O-N 2.74Å; Y340-R344 WeakPolarHBondContact O-CB 3.49Å; Y340-R344 PolarHBondContact O-N 3.03Å; Y340-L359 HydrophobicContact CD1-CD2 4.5Å; Y340-L359 HydrophobicContact CE1-CD2 3.64Å |
| 341 | L | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 43% | 0.429 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -41.5 | -178.9 | -67.3 | 173.7 | 0 | 0 | 0 | 111.3 | I336 T337 P338 R344 A345 L359 | I336-L341 HydrophobicContact CG2-CD1 4.41Å; I336-L341 HydrophobicContact CG2-CD2 3.73Å; I336-L341 HydrophobicContact CG2-CG 3.77Å; T337-L341 PolarHBondContact O-N 3.43Å; T337-L341 VanDerWaalsContact O-N 3.11Å; P338-L341 PolarHBondContact O-N 3.13Å; L341-R344 PolarHBondContact O-N 3.5Å; L341-A345 PolarHBondContact O-N 3.15Å; L341-A345 VanDerWaalsContact O-N 3.08Å; L341-L359 HydrophobicContact CD2-CD1 3.79Å; L341-L359 HydrophobicContact CD2-CD2 4.08Å |
| 342 | A | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I281 L285 P338 K339 Y340 A345 Q346 | I281-A342 HydrophobicContact CG2-CB 3.55Å; L285-A342 HydrophobicContact CD1-CB 4.05Å; L285-A342 HydrophobicContact CD2-CB 4.19Å; P338-A342 WeakPolarHBondContact O-CB 3.49Å; P338-A342 PolarHBondContact O-N 2.81Å; K339-A342 PolarHBondContact O-N 3.46Å; Y340-A342 VanDerWaalsContact C-N 3.29Å; Y340-A342 PolarHBondContact O-N 2.94Å; A342-A345 PolarHBondContact O-N 3.17Å; A342-Q346 VanDerWaalsContact O-CB 3.32Å; A342-Q346 WeakPolarHBondContact O-CB 3.35Å; A342-Q346 PolarHBondContact O-N 2.84Å |
| 343 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.4 | -74.4 | 169 | 0 | 0 | 0 | 111 | V284 L285 M288 I300 F303 P329 K339 Y340 Q346 I347 | V284-I343 HydrophobicContact CG1-CD1 4.32Å; L285-I343 HydrophobicContact CD2-CG1 4.02Å; M288-I343 HydrophobicContact CE-CG2 4.1Å; M288-I343 HydrophobicContact SD-CG1 4.06Å; M288-I343 HydrophobicContact SD-CG2 4.47Å; I300-I343 HydrophobicContact CD1-CD1 4.35Å; I300-I343 HydrophobicContact CD1-CG2 3.76Å; F303-I343 HydrophobicContact CE2-CG2 4.33Å; P329-I343 HydrophobicContact CB-CD1 4.04Å; P329-I343 HydrophobicContact CG-CD1 3.47Å; P329-I343 VanDerWaalsContact CG-CD1 3.47Å; K339-I343 HydrophobicContact CG-CD1 3.9Å; K339-I343 WeakPolarHBondContact O-CB 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.31Å; K339-I343 WeakPolarHBondContact O-CG1 3.46Å; K339-I343 PolarHBondContact O-N 2.75Å; Y340-I343 PolarHBondContact O-N 2.74Å; I343-Q346 PolarHBondContact O-N 3.2Å; I343-I347 HydrophobicContact CG2-CD1 3.84Å; I343-I347 HydrophobicContact CG2-CG1 4.45Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.17Å |
| 344 | R | 98.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 44 Ų | 44 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -52.1 | 176.3 | 176.3 | -179.3 | 170.2 | 135.5 | 0.9 | 111.3 | A68 A69 Y340 L341 Q346 I347 E348 N355 Y357 | A68-R344 WeakPolarHBondContact O-CD 3.05Å; A68-R344 VanDerWaalsContact O-CZ 3.29Å; A68-R344 PolarHBondContact O-NH1 3.31Å; A69-R344 WeakPolarHBondContact O-CA 3.12Å; Y340-R344 WeakPolarHBondContact O-CB 3.49Å; Y340-R344 PolarHBondContact O-N 3.03Å; L341-R344 PolarHBondContact O-N 3.5Å; R344-Q346 VanDerWaalsContact C-N 3.28Å; R344-Q346 PolarHBondContact O-N 3.41Å; R344-I347 PolarHBondContact O-N 3.07Å; R344-E348 PolarHBondContact O-N 3.43Å; R344-E348 VanDerWaalsContact O-N 3.16Å; R344-N355 PolarHBondContact NH2-O 3.07Å; R344-Y357 VanDerWaalsContact CZ-O 3.29Å; R344-Y357 PolarHBondContact NH1-O 3.45Å; R344-Y357 PolarHBondContact NH2-O 2.99Å |
| 345 | A | 98.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 45 Ų | 45 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L341 A342 E348 R349 | L341-A345 PolarHBondContact O-N 3.15Å; L341-A345 VanDerWaalsContact O-N 3.08Å; A342-A345 PolarHBondContact O-N 3.17Å; A345-E348 PolarHBondContact O-N 2.85Å; A345-R349 PolarHBondContact O-N 3.12Å |
| 346 | Q | 98.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.5 | -175.4 | 72.9 | -25.1 | 0 | 0 | 111.9 | L285 M288 A342 I343 R344 R349 L350 | L285-Q346 HydrophobicContact CB-CG 4.36Å; L285-Q346 HydrophobicContact CD2-CB 3.91Å; L285-Q346 HydrophobicContact CD2-CG 4.16Å; L285-Q346 PolarHBondContact O-NE2 2.93Å; M288-Q346 HydrophobicContact CB-CG 4.49Å; M288-Q346 HydrophobicContact CE-CB 4.34Å; M288-Q346 HydrophobicContact CE-CG 4Å; M288-Q346 HydrophobicContact SD-CG 4.44Å; A342-Q346 VanDerWaalsContact O-CB 3.32Å; A342-Q346 WeakPolarHBondContact O-CB 3.35Å; A342-Q346 PolarHBondContact O-N 2.84Å; I343-Q346 PolarHBondContact O-N 3.2Å; R344-Q346 VanDerWaalsContact C-N 3.28Å; R344-Q346 PolarHBondContact O-N 3.41Å; Q346-R349 PolarHBondContact O-N 2.93Å; Q346-L350 HydrophobicContact CG-CD1 3.86Å; Q346-L350 HydrophobicContact CG-CG 4.21Å; Q346-L350 WeakPolarHBondContact O-CB 3.5Å; Q346-L350 WeakPolarHBondContact O-CG 3.44Å; Q346-L350 PolarHBondContact O-N 3.31Å |
| 347 | I | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.9 | -70.3 | 167.9 | 0 | 0 | 0 | 110.8 | I45 A69 L71 M288 I343 R344 R349 L350 T351 | I45-I347 HydrophobicContact CD1-CG1 4.08Å; I45-I347 HydrophobicContact CD1-CG2 4.1Å; I45-I347 HydrophobicContact CG2-CD1 3.89Å; I45-I347 HydrophobicContact CG2-CG1 4.19Å; A69-I347 WeakPolarHBondContact O-CD1 3.46Å; L71-I347 HydrophobicContact CD1-CD1 3.54Å; L71-I347 HydrophobicContact CG-CD1 4.14Å; M288-I347 HydrophobicContact CE-CG1 3.93Å; I343-I347 HydrophobicContact CG2-CD1 3.84Å; I343-I347 HydrophobicContact CG2-CG1 4.45Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.17Å; R344-I347 PolarHBondContact O-N 3.07Å; I347-R349 VanDerWaalsContact C-N 3.32Å; I347-R349 PolarHBondContact O-N 3.15Å; I347-L350 PolarHBondContact O-N 2.83Å; I347-T351 HydrophobicContact CG2-CG2 4.16Å; I347-T351 WeakPolarHBondContact O-CB 3.49Å; I347-T351 VanDerWaalsContact O-CG2 3.3Å; I347-T351 WeakPolarHBondContact O-CG2 3.23Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.12Å |
| 348 | E | 98.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 57 Ų | 57 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 175 | -68.6 | 179.3 | 128.8 | 0 | 0 | 111.3 | R344 A345 G352 N355 | R344-E348 PolarHBondContact O-N 3.43Å; R344-E348 VanDerWaalsContact O-N 3.16Å; A345-E348 PolarHBondContact O-N 2.85Å; E348-G352 WeakPolarHBondContact O-CA 3.26Å; E348-G352 PolarHBondContact O-N 3.21Å; E348-N355 HydrophobicContact CG-CB 3.76Å; E348-N355 WeakPolarHBondContact OE1-CA 2.97Å; E348-N355 WeakPolarHBondContact OE1-CB 3.45Å; E348-N355 PolarHBondContact OE1-N 2.83Å |
| 349 | R | 98.2 | Very high | 96.2 | Very high | 125 Ų | 125 | 56.2 Ų | 56.2 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.1 | -173.2 | -175.7 | 68.2 | 93.4 | -7.7 | 112.7 | E289 A345 Q346 I347 | E289-R349 IonicContact OE1-CZ 3.47Å; E289-R349 IonicContact OE1-NH1 2.78Å; E289-R349 PolarHBondContact OE1-NH1 2.96Å; E289-R349 IonicContact OE1-NH2 2.76Å; E289-R349 PolarHBondContact OE1-NH2 2.75Å; E289-R349 IonicContact OE2-CZ 3.65Å; E289-R349 IonicContact OE2-NH1 3.68Å; E289-R349 IonicContact OE2-NH2 2.7Å; E289-R349 PolarHBondContact OE2-NH2 3.3Å; A345-R349 PolarHBondContact O-N 3.12Å; Q346-R349 PolarHBondContact O-N 2.93Å; I347-R349 VanDerWaalsContact C-N 3.32Å; I347-R349 PolarHBondContact O-N 3.15Å |
| 350 | L | 98.2 | Very high | 96 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | -177.1 | -69 | 176 | 0 | 0 | 0 | 111.5 | M288 E289 W292 Q346 I347 | M288-L350 HydrophobicContact CB-CD1 4.27Å; E289-L350 HydrophobicContact CB-CD2 3.97Å; E289-L350 HydrophobicContact CG-CD2 4.08Å; W292-L350 HydrophobicContact CB-CB 4.46Å; W292-L350 HydrophobicContact CB-CD1 3.92Å; W292-L350 HydrophobicContact CB-CD2 3.77Å; W292-L350 HydrophobicContact CB-CG 4.25Å; W292-L350 HydrophobicContact CD2-CB 3.84Å; W292-L350 HydrophobicContact CE3-CB 4.43Å; W292-L350 HydrophobicContact CG-CB 3.81Å; W292-L350 HydrophobicContact CG-CD1 4.15Å; W292-L350 HydrophobicContact CG-CD2 3.82Å; W292-L350 HydrophobicContact CG-CG 4.12Å; W292-L350 WeakPolarHBondContact CZ2-O 3.44Å; W292-L350 PolarHBondContact NE1-O 2.96Å; Q346-L350 HydrophobicContact CG-CD1 3.86Å; Q346-L350 HydrophobicContact CG-CG 4.21Å; Q346-L350 WeakPolarHBondContact O-CB 3.5Å; Q346-L350 WeakPolarHBondContact O-CG 3.44Å; Q346-L350 PolarHBondContact O-N 3.31Å; I347-L350 PolarHBondContact O-N 2.83Å |
| 351 | T | 97.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.8 | -22.2 | -176.5 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | I45 W292 I347 V353 | I45-T351 HydrophobicContact CD1-CG2 4.12Å; W292-T351 HydrophobicContact CH2-CG2 3.7Å; W292-T351 HydrophobicContact CZ2-CG2 4.09Å; W292-T351 HydrophobicContact CZ3-CG2 4.24Å; I347-T351 HydrophobicContact CG2-CG2 4.16Å; I347-T351 WeakPolarHBondContact O-CB 3.49Å; I347-T351 VanDerWaalsContact O-CG2 3.3Å; I347-T351 WeakPolarHBondContact O-CG2 3.23Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.12Å; T351-V353 PolarHBondContact O-N 3.35Å; T351-V353 PolarHBondContact OG1-N 2.69Å |
| 352 | G | 96.6 | Very high | 95.6 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | trans | 68 | 8.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E348 | E348-G352 WeakPolarHBondContact O-CA 3.26Å; E348-G352 PolarHBondContact O-N 3.21Å | ||
| 353 | V | 93.4 | Very high | 95.4 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | trans | -103.1 | 118.2 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | T351 N355 | T351-V353 PolarHBondContact O-N 3.35Å; T351-V353 PolarHBondContact OG1-N 2.69Å; V353-N355 PolarHBondContact O-N 3.47Å | ||
| 354 | S | 92.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | trans | -62 | 132.8 | 173.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | L356 | S354-L356 PolarHBondContact O-N 3.14Å; S354-L356 VanDerWaalsContact O-N 3.16Å | ||
| 355 | N | 88 | Confident | 95.3 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | trans | -81.1 | 101.7 | 178.6 | -174.1 | -13.8 | 0 | 0 | 0 | 110.1 | A68 G70 R344 E348 V353 Y357 | A68-N355 PolarHBondContact O-ND2 2.76Å; G70-N355 WeakPolarHBondContact CA-ND2 3.35Å; G70-N355 PolarHBondContact N-ND2 3.3Å; G70-N355 VanDerWaalsContact N-ND2 3.12Å; R344-N355 PolarHBondContact NH2-O 3.07Å; E348-N355 HydrophobicContact CG-CB 3.76Å; E348-N355 WeakPolarHBondContact OE1-CA 2.97Å; E348-N355 WeakPolarHBondContact OE1-CB 3.45Å; E348-N355 PolarHBondContact OE1-N 2.83Å; V353-N355 PolarHBondContact O-N 3.47Å; N355-Y357 PolarHBondContact O-N 2.93Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.37Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.48Å; N355-Y357 PolarHBondContact OD1-N 2.86Å; N355-Y357 VanDerWaalsContact OD1-N 3.09Å | ||
| 356 | L | 87.4 | Confident | 95.2 | Very high | 154 Ų | 154 | 65 Ų | 65 | 81% | 0.806 | 37% | 0.373 | S | S | * | . | trans | -72.5 | -7.8 | -177.3 | -56.6 | 179 | 0 | 0 | 0 | 113.9 | S354 | S354-L356 PolarHBondContact O-N 3.14Å; S354-L356 VanDerWaalsContact O-N 3.16Å | ||
| 357 | Y | 92.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 38% | 0.384 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -89.7 | 121.1 | -177.3 | -61.9 | -88.4 | 0 | 0 | 0 | 110.4 | R67 R344 N355 | R67-Y357 HydrophobicContact CG-CD1 4Å; R67-Y357 HydrophobicContact CG-CD2 4.03Å; R67-Y357 HydrophobicContact CG-CE1 3.82Å; R67-Y357 HydrophobicContact CG-CE2 3.89Å; R67-Y357 HydrophobicContact CG-CG 4.11Å; R67-Y357 VanDerWaalsContact NE-CE2 3.28Å; R67-Y357 VanDerWaalsContact NE-CZ 3.26Å; R67-Y357 PolarHBondContact NE-OH 3.01Å; R67-Y357 PolarHBondContact NH2-OH 3.5Å; R67-Y357 VanDerWaalsContact NH2-OH 3.1Å; R344-Y357 VanDerWaalsContact CZ-O 3.29Å; R344-Y357 PolarHBondContact NH1-O 3.45Å; R344-Y357 PolarHBondContact NH2-O 2.99Å; N355-Y357 PolarHBondContact O-N 2.93Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.37Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.48Å; N355-Y357 PolarHBondContact OD1-N 2.86Å; N355-Y357 VanDerWaalsContact OD1-N 3.09Å |
| 358 | P | 94.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 69 Ų | 69 | 66% | 0.662 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 152 | 176.2 | 28 | -34.7 | 0 | 0 | 0 | 110.7 | P360 | P358-P360 VanDerWaalsContact O-CD 3.22Å; P358-P360 WeakPolarHBondContact O-CD 3.3Å |
| 359 | L | 95.7 | Very high | 95 | Very high | 83 Ų | 83 | 67.6 Ų | 67.6 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 119.4 | 174.4 | -66.1 | 170 | 0 | 0 | 0 | 109.2 | I336 Y340 L341 | I336-L359 HydrophobicContact CD1-CB 4.06Å; I336-L359 HydrophobicContact CD1-CD2 3.98Å; Y340-L359 HydrophobicContact CD1-CD2 4.5Å; Y340-L359 HydrophobicContact CE1-CD2 3.64Å; L341-L359 HydrophobicContact CD2-CD1 3.79Å; L341-L359 HydrophobicContact CD2-CD2 4.08Å |
| 360 | P | 94.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.3 | 173.2 | -21.3 | 35.4 | 0 | 0 | 0 | 110.4 | K64 K65 A68 I336 P358 | K64-P360 HydrophobicContact CD-CG 4.25Å; K64-P360 HydrophobicContact CG-CG 4Å; K65-P360 HydrophobicContact CG-CB 3.89Å; K65-P360 HydrophobicContact CG-CG 3.72Å; A68-P360 HydrophobicContact CB-CG 4.04Å; I336-P360 WeakPolarHBondContact CD1-O 3.33Å; P358-P360 VanDerWaalsContact O-CD 3.22Å; P358-P360 WeakPolarHBondContact O-CD 3.3Å |
| 361 | P | 94.8 | Very high | 94.7 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 159 | 177.8 | 28.7 | -35 | 0 | 0 | 0 | 111.8 | K65 | K65-P361 WeakPolarHBondContact CE-O 3.28Å; K65-P361 PolarHBondContact NZ-O 3.05Å |
| 362 | A | 94.6 | Very high | 94.5 | Very high | 62 Ų | 62 | 70.1 Ų | 70.1 | 51% | 0.512 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 148.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D335 | D335-A362 WeakPolarHBondContact OD1-CB 3.42Š|
| 363 | N | 94.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 139.8 | 167.2 | -74.2 | -4.6 | 0 | 0 | 0 | 108.5 | Y58 R62 K365 | Y58-N363 VanDerWaalsContact CD1-ND2 3.29Å; Y58-N363 WeakPolarHBondContact CD1-ND2 3.4Å; Y58-N363 WeakPolarHBondContact CE1-ND2 3.47Å; R62-N363 PolarHBondContact NH1-ND2 3.21Å; R62-N363 VanDerWaalsContact NH1-ND2 3.12Å; N363-K365 WeakPolarHBondContact O-CD 3.42Å; N363-K365 PolarHBondContact O-NZ 3.12Å |
| 364 | I | 97.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 68 Ų | 68 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.1 | 177.9 | -59.1 | 174 | 0 | 0 | 0 | 108.9 | I366 E547 D548 | I364-I366 HydrophobicContact CG2-CG1 4.46Å; I364-E547 HydrophobicContact CB-CB 4.2Å; I364-E547 HydrophobicContact CB-CG 3.94Å; I364-E547 HydrophobicContact CG2-CB 4.08Å; I364-E547 HydrophobicContact CG2-CG 3.87Å; I364-D548 PolarHBondContact O-N 2.75Å |
| 365 | K | 97.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -118.1 | 146.1 | 168.6 | -71.3 | 63.4 | 153.8 | 165.8 | 0 | 108.8 | D335 N363 D548 F550 D620 | D335-K365 IonicContact OD1-NZ 2.78Å; D335-K365 PolarHBondContact OD1-NZ 2.73Å; D335-K365 VanDerWaalsContact OD2-CE 3.22Å; D335-K365 WeakPolarHBondContact OD2-CE 3.29Å; D335-K365 IonicContact OD2-NZ 3.23Å; D335-K365 PolarHBondContact OD2-NZ 3.16Å; N363-K365 WeakPolarHBondContact O-CD 3.42Å; N363-K365 PolarHBondContact O-NZ 3.12Å; K365-D548 CarbonylContact C-O 3.53Å; K365-D548 WeakPolarHBondContact CA-O 3.24Å; K365-D548 HydrophobicContact CD-CB 4.33Å; K365-D548 HydrophobicContact CG-CB 4.05Å; K365-F550 HydrophobicContact CG-CD2 4.45Å; K365-F550 HydrophobicContact CG-CE2 4.01Å; K365-D620 HydrophobicContact CB-CB 3.82Å; K365-D620 WeakPolarHBondContact CB-O 3.42Å |
| 366 | I | 97.8 | Very high | 94.2 | Very high | 45 Ų | 45 | 64 Ų | 64 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | trans | -121.1 | 133.6 | 176 | -65.6 | 172.5 | 0 | 0 | 0 | 109.6 | I364 Y368 E547 D548 T549 | I364-I366 HydrophobicContact CG2-CG1 4.46Å; I366-Y368 HydrophobicContact CB-CD1 4.38Å; I366-Y368 HydrophobicContact CB-CE1 3.96Å; I366-Y368 HydrophobicContact CB-CE2 4.1Å; I366-Y368 HydrophobicContact CD1-CE1 4.24Å; I366-Y368 HydrophobicContact CG2-CD1 3.6Å; I366-Y368 HydrophobicContact CG2-CD2 4.38Å; I366-Y368 HydrophobicContact CG2-CE1 3.55Å; I366-Y368 HydrophobicContact CG2-CE2 4.33Å; I366-Y368 HydrophobicContact CG2-CG 4.05Å; I366-Y368 PolarHBondContact O-N 3.18Å; I366-E547 HydrophobicContact CD1-CB 3.87Å; I366-E547 HydrophobicContact CD1-CG 4.01Å; I366-E547 HydrophobicContact CG1-CB 4.04Å; I366-D548 PolarHBondContact N-O 3.23Å; I366-T549 VanDerWaalsContact O-CB 3.29Å; I366-T549 WeakPolarHBondContact O-CB 3.42Å; I366-T549 PolarHBondContact O-OG1 3.36Å | ||
| 367 | A | 97.5 | Very high | 94.3 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | trans | -82.6 | 93.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G369 F618 D620 | A367-G369 PolarHBondContact O-N 2.82Å; A367-F618 CarbonylContact C-O 3.43Å; A367-F618 WeakPolarHBondContact CA-O 3.47Å; A367-D620 HydrophobicContact CB-CB 4.17Å | ||
| 368 | Y | 97.3 | Very high | 94.3 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | trans | -72.1 | -2.3 | 178.3 | -59 | -74.2 | 0 | 0 | 0 | 113.5 | I366 L542 E547 T549 L588 F618 | I366-Y368 HydrophobicContact CB-CD1 4.38Å; I366-Y368 HydrophobicContact CB-CE1 3.96Å; I366-Y368 HydrophobicContact CB-CE2 4.1Å; I366-Y368 HydrophobicContact CD1-CE1 4.24Å; I366-Y368 HydrophobicContact CG2-CD1 3.6Å; I366-Y368 HydrophobicContact CG2-CD2 4.38Å; I366-Y368 HydrophobicContact CG2-CE1 3.55Å; I366-Y368 HydrophobicContact CG2-CE2 4.33Å; I366-Y368 HydrophobicContact CG2-CG 4.05Å; I366-Y368 PolarHBondContact O-N 3.18Å; Y368-L542 HydrophobicContact CD1-CD1 4.48Å; Y368-L542 HydrophobicContact CD1-CD2 3.52Å; Y368-L542 HydrophobicContact CE1-CD1 4.21Å; Y368-L542 HydrophobicContact CE1-CD2 3.96Å; Y368-L542 HydrophobicContact CG-CD2 3.89Å; Y368-E547 PolarHBondContact OH-N 3.04Å; Y368-E547 PolarHBondContact OH-O 2.79Å; Y368-T549 HydrophobicContact CD2-CG2 3.87Å; Y368-T549 HydrophobicContact CE2-CG2 3.87Å; Y368-L588 HydrophobicContact CD2-CD1 4.47Å; Y368-L588 HydrophobicContact CE2-CD1 3.68Å; Y368-F618 HydrophobicContact CD2-CB 4.19Å; Y368-F618 PolarHBondContact N-O 3.14Å; Y368-F618 VanDerWaalsContact N-O 3.16Å | ||
| 369 | G | 95.1 | Very high | 94.3 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.9 | -155 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A367 Q617 F618 | A367-G369 PolarHBondContact O-N 2.82Å; G369-Q617 CarbonylContact O-C 3.59Å; G369-Q617 WeakPolarHBondContact O-CA 3.45Å; G369-F618 PolarHBondContact N-O 2.96Å; G369-F618 PolarHBondContact O-N 3.27Å |
| 370 | T | 95.3 | Very high | 94.2 | Very high | 87 Ų | 87 | 45.9 Ų | 45.9 | 53% | 0.534 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.3 | -173.9 | -61 | 0 | 0 | 0 | 0 | 111.3 | A615 I616 | T370-A615 HydrophobicContact CG2-CB 3.92Å; T370-I616 CarbonylContact C-O 3.46Å; T370-I616 WeakPolarHBondContact CA-O 3.34Å |
| 371 | L | 94.3 | Very high | 94 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.3 | 173.6 | -179.5 | 60.7 | 0 | 0 | 0 | 109.6 | A538 F540 A595 A615 I616 F618 | L371-A538 HydrophobicContact CD1-CB 3.7Å; L371-A538 HydrophobicContact CD2-CB 3.84Å; L371-A538 HydrophobicContact CG-CB 3.74Å; L371-F540 HydrophobicContact CD1-CB 3.64Å; L371-F540 HydrophobicContact CD1-CD1 3.92Å; L371-F540 HydrophobicContact CD1-CG 3.86Å; L371-F540 HydrophobicContact CD2-CD1 3.7Å; L371-F540 HydrophobicContact CD2-CE1 3.81Å; L371-F540 HydrophobicContact CD2-CG 4.26Å; L371-F540 HydrophobicContact CD2-CZ 4.43Å; L371-F540 HydrophobicContact CG-CD1 4.5Å; L371-A595 HydrophobicContact CD2-CB 4.09Å; L371-A615 WeakPolarHBondContact O-CA 3.37Å; L371-I616 HydrophobicContact CB-CD1 3.75Å; L371-I616 HydrophobicContact CB-CG1 4.05Å; L371-I616 HydrophobicContact CD2-CD1 4.25Å; L371-I616 PolarHBondContact N-O 3.06Å; L371-I616 PolarHBondContact O-N 3.25Å; L371-F618 HydrophobicContact CD2-CE2 3.86Å |
| 372 | K | 93.5 | Very high | 93.9 | Very high | 139 Ų | 139 | 43 Ų | 43 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.3 | 172.1 | -65.5 | -177 | -178.6 | 179.9 | 0 | 109.4 | A538 V613 C614 | K372-A538 VanDerWaalsContact O-CB 3.31Å; K372-A538 WeakPolarHBondContact O-CB 3.37Å; K372-V613 HydrophobicContact CB-CG1 4.2Å; K372-V613 HydrophobicContact CD-CG1 4.47Å; K372-C614 CarbonylContact C-O 3.54Å; K372-C614 WeakPolarHBondContact CA-O 3.46Å |
| 373 | L | 92.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.7 | 175.3 | -50.8 | 98 | 0 | 0 | 0 | 110.3 | T537 A538 W556 I597 V613 C614 I616 | L373-T537 CarbonylContact C-O 3.56Å; L373-T537 VanDerWaalsContact CA-O 3.29Å; L373-T537 WeakPolarHBondContact CA-O 3.49Å; L373-A538 HydrophobicContact CB-CB 4.4Å; L373-A538 HydrophobicContact CD2-CB 4.38Å; L373-A538 HydrophobicContact CG-CB 4.02Å; L373-W556 HydrophobicContact CD1-CH2 4.14Å; L373-W556 HydrophobicContact CD1-CZ2 3.94Å; L373-I597 HydrophobicContact CD2-CD1 3.59Å; L373-I597 HydrophobicContact CD2-CG1 4.07Å; L373-V613 CarbonylContact O-C 3.54Å; L373-V613 VanDerWaalsContact O-CA 3.28Å; L373-V613 WeakPolarHBondContact O-CA 3.14Å; L373-C614 PolarHBondContact N-O 3.1Å; L373-C614 PolarHBondContact O-N 2.86Å; L373-I616 HydrophobicContact CD1-CB 4.18Å; L373-I616 HydrophobicContact CD1-CG1 3.64Å; L373-I616 HydrophobicContact CD1-CG2 3.75Å |
| 374 | R | 90.8 | Very high | 93.7 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 46% | 0.457 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 145.9 | 170.6 | 65.9 | -179.5 | 179.3 | -172.7 | -1.2 | 110.9 | L376 Y515 Y536 T537 T612 | R374-L376 PolarHBondContact O-N 3.27Å; R374-Y515 VanDerWaalsContact NH2-CE2 3.32Å; R374-Y515 VanDerWaalsContact NH2-CG 3.29Å; R374-Y536 CarbonylContact O-C 3.54Å; R374-Y536 WeakPolarHBondContact O-CA 3.42Å; R374-T537 HydrophobicContact CG-CG2 3.88Å; R374-T537 PolarHBondContact N-O 3.37Å; R374-T537 PolarHBondContact O-N 2.72Å; R374-T612 CarbonylContact C-O 3.56Å; R374-T612 VanDerWaalsContact CA-O 3.25Å; R374-T612 WeakPolarHBondContact CA-O 3.31Å |
| 375 | S | 90.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.1 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | G377 T534 T612 | S375-G377 PolarHBondContact OG-N 3.36Å; S375-T534 VanDerWaalsContact OG-CG2 3.3Å; S375-T534 WeakPolarHBondContact OG-CG2 3.3Å; S375-T612 PolarHBondContact N-O 3.39Å |
| 376 | L | 90.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -26 | 168.1 | -73.2 | -178.9 | 0 | 0 | 0 | 112 | R374 L382 L510 Y515 I518 T521 I535 T537 | R374-L376 PolarHBondContact O-N 3.27Å; L376-L382 HydrophobicContact CB-CD1 3.82Å; L376-L510 HydrophobicContact CD1-CD1 4.47Å; L376-Y515 HydrophobicContact CD1-CE1 4.05Å; L376-Y515 HydrophobicContact CD2-CD1 3.84Å; L376-Y515 HydrophobicContact CD2-CE1 3.9Å; L376-I518 HydrophobicContact CD1-CD1 4.24Å; L376-I518 HydrophobicContact CD2-CD1 4.4Å; L376-T521 PolarHBondContact O-OG1 2.86Å; L376-I535 HydrophobicContact CB-CB 4.5Å; L376-I535 HydrophobicContact CB-CG2 4.46Å; L376-I535 HydrophobicContact CD1-CG2 4.07Å; L376-I535 PolarHBondContact N-O 3.11Å; L376-T537 HydrophobicContact CD1-CG2 3.77Å; L376-T537 HydrophobicContact CD2-CG2 3.57Å; L376-T537 HydrophobicContact CG-CG2 3.51Å |
| 377 | G | 89.9 | Confident | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.6 | 168.5 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S375 T534 I535 | S375-G377 PolarHBondContact OG-N 3.36Å; G377-T534 WeakPolarHBondContact O-CG2 3.26Å; G377-I535 PolarHBondContact O-N 3.01Å |
| 378 | T | 92 | Very high | 92.8 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 151.1 | 172.6 | 67.5 | 0 | 0 | 0 | 0 | 109.7 | V380 S381 L382 P533 | T378-V380 PolarHBondContact O-N 2.98Å; T378-S381 PolarHBondContact N-OG 2.64Å; T378-S381 VanDerWaalsContact N-OG 3.12Å; T378-S381 PolarHBondContact O-N 3.39Å; T378-S381 PolarHBondContact O-OG 3.1Å; T378-S381 WeakPolarHBondContact OG1-CB 3.18Å; T378-S381 PolarHBondContact OG1-N 2.99Å; T378-S381 VanDerWaalsContact OG1-N 3.16Å; T378-S381 PolarHBondContact OG1-OG 2.91Å; T378-L382 PolarHBondContact O-N 2.78Å; T378-L382 VanDerWaalsContact O-N 3.16Å; T378-P533 WeakPolarHBondContact CA-O 3.42Å |
| 379 | L | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -42.5 | 176.7 | 178.7 | 153.9 | 0 | 0 | 0 | 111.4 | S381 L382 L383 L469 I505 P533 L598 | L379-S381 PolarHBondContact O-N 2.99Å; L379-L382 CarbonylContact O-C 3.52Å; L379-L382 PolarHBondContact O-N 2.87Å; L379-L382 VanDerWaalsContact O-N 3.15Å; L379-L383 HydrophobicContact CD2-CD2 4.07Å; L379-L383 PolarHBondContact O-N 3.01Å; L379-L469 HydrophobicContact CD1-CD1 3.88Å; L379-L469 HydrophobicContact CD1-CD2 3.81Å; L379-L469 HydrophobicContact CD2-CD1 3.88Å; L379-I505 HydrophobicContact CD1-CG2 3.97Å; L379-I505 HydrophobicContact CD2-CD1 4.1Å; L379-P533 HydrophobicContact CB-CB 4.44Å; L379-P533 PolarHBondContact N-O 3.43Å; L379-L598 HydrophobicContact CB-CD1 4.43Å; L379-L598 HydrophobicContact CD1-CD1 3.8Å; L379-L598 HydrophobicContact CD1-CD2 3.98Å |
| 380 | V | 93.5 | Very high | 92.5 | Very high | 25 Ų | 25 | 51 Ų | 51 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -61.7 | -43.7 | 178 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | T378 L382 L383 L411 I437 | T378-V380 PolarHBondContact O-N 2.98Å; V380-L382 PolarHBondContact O-N 3.02Å; V380-L383 HydrophobicContact CG1-CD1 4.33Å; V380-L383 WeakPolarHBondContact O-CG 3.41Å; V380-L383 PolarHBondContact O-N 3.11Å; V380-L411 HydrophobicContact CG2-CD2 4.49Å; V380-I437 HydrophobicContact CG2-CD1 4.07Å |
| 381 | S | 91.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -66 | -20.8 | 177.9 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | T378 L379 | T378-S381 PolarHBondContact N-OG 2.64Å; T378-S381 VanDerWaalsContact N-OG 3.12Å; T378-S381 PolarHBondContact O-N 3.39Å; T378-S381 PolarHBondContact O-OG 3.1Å; T378-S381 WeakPolarHBondContact OG1-CB 3.18Å; T378-S381 PolarHBondContact OG1-N 2.99Å; T378-S381 VanDerWaalsContact OG1-N 3.16Å; T378-S381 PolarHBondContact OG1-OG 2.91Å; L379-S381 PolarHBondContact O-N 2.99Å |
| 382 | L | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -106.2 | 11 | -176.4 | -63.6 | 176.8 | 0 | 0 | 0 | 113.4 | L376 T378 L379 V380 N384 F385 V386 I518 I535 | L376-L382 HydrophobicContact CB-CD1 3.82Å; T378-L382 PolarHBondContact O-N 2.78Å; T378-L382 VanDerWaalsContact O-N 3.16Å; L379-L382 CarbonylContact O-C 3.52Å; L379-L382 PolarHBondContact O-N 2.87Å; L379-L382 VanDerWaalsContact O-N 3.15Å; V380-L382 PolarHBondContact O-N 3.02Å; L382-N384 PolarHBondContact O-N 2.76Å; L382-N384 VanDerWaalsContact O-N 3.11Å; L382-F385 HydrophobicContact CD2-CD2 4.03Å; L382-F385 HydrophobicContact CD2-CE2 4.44Å; L382-F385 WeakPolarHBondContact O-CA 3.44Å; L382-F385 WeakPolarHBondContact O-CB 3.29Å; L382-F385 PolarHBondContact O-N 2.7Å; L382-V386 PolarHBondContact O-N 3.31Å; L382-I518 HydrophobicContact CD2-CG2 3.51Å; L382-I535 HydrophobicContact CB-CD1 4.49Å; L382-I535 HydrophobicContact CD1-CB 4.07Å; L382-I535 HydrophobicContact CD1-CD1 3.94Å; L382-I535 HydrophobicContact CD1-CG1 4.35Å |
| 383 | L | 93 | Very high | 92.9 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.3 | -38.6 | -174.3 | -81.3 | 172 | 0 | 0 | 0 | 114.3 | L379 V380 F385 V386 S387 L411 Y503 I505 | L379-L383 HydrophobicContact CD2-CD2 4.07Å; L379-L383 PolarHBondContact O-N 3.01Å; V380-L383 HydrophobicContact CG1-CD1 4.33Å; V380-L383 WeakPolarHBondContact O-CG 3.41Å; V380-L383 PolarHBondContact O-N 3.11Å; L383-F385 PolarHBondContact O-N 3.46Å; L383-V386 HydrophobicContact CD2-CG2 4.5Å; L383-V386 PolarHBondContact O-N 2.77Å; L383-S387 WeakPolarHBondContact O-CB 3.15Å; L383-S387 PolarHBondContact O-N 2.92Å; L383-L411 HydrophobicContact CD1-CD2 3.6Å; L383-L411 HydrophobicContact CD2-CD2 3.72Å; L383-L411 HydrophobicContact CG-CD2 4.21Å; L383-Y503 HydrophobicContact CD1-CE1 4.5Å; L383-Y503 HydrophobicContact CD1-CE2 4.49Å; L383-Y503 HydrophobicContact CD2-CD1 4.31Å; L383-Y503 HydrophobicContact CD2-CG 4.11Å; L383-I505 HydrophobicContact CD2-CD1 3.77Å |
| 384 | N | 91.4 | Very high | 93.1 | Very high | 150 Ų | 150 | 54.7 Ų | 54.7 | 80% | 0.802 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.4 | -23.5 | 178.4 | -69.1 | -20.9 | 0 | 0 | 0 | 113.2 | L382 | L382-N384 PolarHBondContact O-N 2.76Å; L382-N384 VanDerWaalsContact O-N 3.11Å |
| 385 | F | 92.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 57 Ų | 57 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -96.8 | -32.6 | 179.6 | -56 | -78.2 | 0 | 0 | 0 | 112.5 | L382 L383 A509 L510 T513 Y517 I518 | L382-F385 HydrophobicContact CD2-CD2 4.03Å; L382-F385 HydrophobicContact CD2-CE2 4.44Å; L382-F385 WeakPolarHBondContact O-CA 3.44Å; L382-F385 WeakPolarHBondContact O-CB 3.29Å; L382-F385 PolarHBondContact O-N 2.7Å; L383-F385 PolarHBondContact O-N 3.46Å; F385-A509 WeakPolarHBondContact O-CB 3.45Å; F385-L510 HydrophobicContact CB-CD2 3.66Å; F385-T513 HydrophobicContact CD1-CG2 3.75Å; F385-T513 HydrophobicContact CE1-CG2 4.2Å; F385-Y517 WeakPolarHBondContact CZ-O 3.4Å; F385-I518 HydrophobicContact CD1-CG1 4.46Å; F385-I518 HydrophobicContact CE1-CG1 4.43Å |
| 386 | V | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -98.2 | -4.4 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | L382 L383 P388 I505 S506 I507 L510 I535 | L382-V386 PolarHBondContact O-N 3.31Å; L383-V386 HydrophobicContact CD2-CG2 4.5Å; L383-V386 PolarHBondContact O-N 2.77Å; V386-P388 VanDerWaalsContact C-CD 3.42Å; V386-I505 HydrophobicContact CB-CG2 4.22Å; V386-I505 HydrophobicContact CG2-CD1 4.23Å; V386-I505 HydrophobicContact CG2-CG2 4.13Å; V386-I505 CarbonylContact O-C 3.57Å; V386-I505 WeakPolarHBondContact O-CA 3.29Å; V386-S506 PolarHBondContact O-N 3.22Å; V386-I507 HydrophobicContact CG1-CD1 4.12Å; V386-L510 HydrophobicContact CG1-CD1 3.7Å; V386-L510 HydrophobicContact CG1-CD2 4.16Å; V386-L510 HydrophobicContact CG1-CG 3.86Å; V386-I535 HydrophobicContact CG1-CD1 3.58Å |
| 387 | S | 94.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | trans | -126.2 | 66.4 | 172.3 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | L383 M389 R504 | L383-S387 WeakPolarHBondContact O-CB 3.15Å; L383-S387 PolarHBondContact O-N 2.92Å; S387-M389 PolarHBondContact O-N 2.76Å; S387-R504 WeakPolarHBondContact CA-O 3.2Å | ||
| 388 | P | 89.6 | Confident | 94.6 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | trans | -66.3 | -20.4 | -177.8 | 28.9 | -36.9 | 0 | 0 | 0 | 113 | V386 A509 | V386-P388 VanDerWaalsContact C-CD 3.42Å; P388-A509 HydrophobicContact CG-CB 3.95Å | ||
| 389 | M | 91.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 37% | 0.365 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -75.4 | 148.7 | 176.3 | -57.8 | -177.6 | 80.9 | 0 | 0 | 111.4 | S387 R391 W405 R504 | S387-M389 PolarHBondContact O-N 2.76Å; M389-R391 PolarHBondContact O-N 2.89Å; M389-W405 HydrophobicContact SD-CE3 3.96Å; M389-W405 HydrophobicContact SD-CH2 4.49Å; M389-W405 HydrophobicContact SD-CZ3 3.54Å; M389-W405 VanDerWaalsContact SD-CZ3 3.54Å; M389-R504 HydrophobicContact SD-CB 4.47Å |
| 390 | K | 93.6 | Very high | 95.1 | Very high | 183 Ų | 183 | 66.5 Ų | 66.5 | 80% | 0.796 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 130.1 | 174.6 | -173.5 | 178.8 | 179.7 | 179 | 0 | 111.1 | R504 | K390-R504 PolarHBondContact O-NH2 3.03Š|
| 391 | R | 95.7 | Very high | 95.3 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 53% | 0.525 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.9 | 173 | 61.6 | -175.6 | 172.9 | -167.2 | -2.1 | 111.7 | M389 I501 Y503 | M389-R391 PolarHBondContact O-N 2.89Å; R391-I501 HydrophobicContact CB-CG2 3.88Å; R391-I501 HydrophobicContact CG-CG2 4.23Å; R391-Y503 HydrophobicContact CB-CE1 4.41Å |
| 392 | V | 97.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.4 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | L403 H502 | V392-L403 HydrophobicContact CB-CD2 3.78Å; V392-L403 HydrophobicContact CG1-CD2 3.88Å; V392-L403 HydrophobicContact CG2-CD2 3.97Å; V392-H502 HydrophobicContact CB-CB 4.28Å; V392-H502 PolarHBondContact N-O 3.1Å; V392-H502 PolarHBondContact O-N 2.8Å; V392-H502 PolarHBondContact O-ND1 3.3Å |
| 393 | I | 98.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.8 | 177.9 | -54.9 | 176.8 | 0 | 0 | 0 | 108.2 | W500 I501 | I393-W500 WeakPolarHBondContact CA-O 3.33Å; I393-I501 HydrophobicContact CG1-CG1 4.36Å |
| 394 | S | 98 | Very high | 95.9 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.1 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | R396 Q398 T499 W500 | S394-R396 VanDerWaalsContact CB-O 3.25Å; S394-R396 WeakPolarHBondContact CB-O 3.37Å; S394-R396 PolarHBondContact O-N 2.81Å; S394-R396 PolarHBondContact OG-N 3.47Å; S394-R396 PolarHBondContact OG-O 2.88Å; S394-Q398 PolarHBondContact OG-NE2 2.87Å; S394-T499 CarbonylContact O-C 3.53Å; S394-T499 WeakPolarHBondContact O-CA 3.33Å; S394-W500 PolarHBondContact N-O 3.37Å; S394-W500 PolarHBondContact O-N 3.24Å |
| 395 | K | 97.5 | Very high | 96.2 | Very high | 170 Ų | 170 | 63.8 Ų | 63.8 | 74% | 0.739 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62.1 | -30 | 174.7 | -72.6 | -172.9 | 177.8 | -177.9 | 0 | 112.1 | T498 T499 | K395-T498 WeakPolarHBondContact O-CA 3.21Å; K395-T498 WeakPolarHBondContact O-CB 3.38Å; K395-T499 PolarHBondContact O-N 2.67Å; K395-T499 VanDerWaalsContact O-N 3.15Å |
| 396 | R | 97.8 | Very high | 96.3 | Very high | 180 Ų | 180 | 62.2 Ų | 62.2 | 68% | 0.679 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -117.3 | 154.6 | -180 | -62.2 | -176.6 | -179.9 | -175.5 | 0 | 110 | S394 Q398 | S394-R396 VanDerWaalsContact CB-O 3.25Å; S394-R396 WeakPolarHBondContact CB-O 3.37Å; S394-R396 PolarHBondContact O-N 2.81Å; S394-R396 PolarHBondContact OG-N 3.47Å; S394-R396 PolarHBondContact OG-O 2.88Å; R396-Q398 PolarHBondContact O-NE2 2.99Å |
| 397 | T | 98.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | trans | -52.9 | 148.4 | 164.2 | 45.3 | 0 | 0 | 0 | 0 | 110.6 | Y412 I486 G488 V490 W500 | T397-Y412 HydrophobicContact CG2-CD1 4.04Å; T397-Y412 HydrophobicContact CG2-CE1 4.45Å; T397-I486 WeakPolarHBondContact CB-O 3.29Å; T397-I486 HydrophobicContact CG2-CB 4.03Å; T397-I486 HydrophobicContact CG2-CD1 4.28Å; T397-I486 HydrophobicContact CG2-CG2 3.91Å; T397-I486 PolarHBondContact OG1-O 2.89Å; T397-G488 PolarHBondContact OG1-O 2.85Å; T397-V490 HydrophobicContact CG2-CG2 4.06Å; T397-W500 HydrophobicContact CG2-CD2 3.79Å; T397-W500 HydrophobicContact CG2-CE3 4.38Å; T397-W500 HydrophobicContact CG2-CG 3.98Å; T397-W500 HydrophobicContact CG2-CZ2 4.3Å | ||
| 398 | Q | 98 | Very high | 96.5 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | trans | -119.3 | 148.7 | -179.4 | -61 | -63.1 | -68.5 | 0 | 0 | 111.1 | S394 R396 L403 Y412 H502 | S394-Q398 PolarHBondContact OG-NE2 2.87Å; R396-Q398 PolarHBondContact O-NE2 2.99Å; Q398-L403 HydrophobicContact CB-CD1 4.24Å; Q398-L403 HydrophobicContact CB-CD2 3.84Å; Q398-L403 HydrophobicContact CB-CG 3.8Å; Q398-L403 HydrophobicContact CG-CD2 4.25Å; Q398-Y412 WeakPolarHBondContact O-CE1 3.45Å; Q398-Y412 PolarHBondContact O-OH 2.96Å; Q398-H502 PolarHBondContact N-NE2 2.74Å; Q398-H502 VanDerWaalsContact N-NE2 3.14Å | ||
| 399 | S | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 160.8 | 170.1 | 91.9 | 0 | 0 | 0 | 0 | 110.8 | E401 S402 L403 K484 L487 | S399-E401 WeakPolarHBondContact CB-OE2 3.19Å; S399-E401 PolarHBondContact O-N 3.13Å; S399-E401 PolarHBondContact OG-N 3.26Å; S399-E401 PolarHBondContact OG-OE2 3.01Å; S399-S402 PolarHBondContact O-N 2.69Å; S399-S402 PolarHBondContact OG-N 2.83Å; S399-S402 PolarHBondContact OG-OG 2.85Å; S399-L403 WeakPolarHBondContact O-CG 3.35Å; S399-L403 PolarHBondContact O-N 2.83Å; S399-K484 CarbonylContact C-O 3.57Å; S399-K484 WeakPolarHBondContact CA-O 3.49Å; S399-K484 VanDerWaalsContact CB-O 3.26Å; S399-K484 WeakPolarHBondContact CB-O 3.4Å; S399-L487 VanDerWaalsContact CB-CD2 3.44Å |
| 400 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -42.2 | 175.1 | -88.4 | 46.9 | 0 | 0 | 0 | 111.2 | L403 N404 W405 V410 Y412 V470 N472 K484 G485 | F400-L403 CarbonylContact O-C 3.42Å; F400-L403 PolarHBondContact O-N 2.92Å; F400-N404 PolarHBondContact O-N 3.07Å; F400-W405 CarbonylContact C-O 3.51Å; F400-W405 VanDerWaalsContact CB-O 3.25Å; F400-W405 WeakPolarHBondContact CB-O 3.35Å; F400-W405 PolarHBondContact O-N 3.36Å; F400-V410 HydrophobicContact CD1-CB 4.3Å; F400-V410 HydrophobicContact CD1-CG2 3.81Å; F400-V410 HydrophobicContact CD2-CG2 4.25Å; F400-V410 HydrophobicContact CE1-CB 3.66Å; F400-V410 HydrophobicContact CE1-CG2 3.54Å; F400-V410 HydrophobicContact CE2-CG2 4Å; F400-V410 HydrophobicContact CG-CG2 4.18Å; F400-V410 HydrophobicContact CZ-CB 3.91Å; F400-V410 HydrophobicContact CZ-CG2 3.66Å; F400-Y412 HydrophobicContact CE1-CE2 4.49Å; F400-V470 HydrophobicContact CE1-CB 4.38Å; F400-V470 HydrophobicContact CE1-CG1 4.26Å; F400-V470 WeakPolarHBondContact CZ-O 3.49Å; F400-N472 HydrophobicContact CD2-CB 4.09Å; F400-N472 HydrophobicContact CE2-CB 3.59Å; F400-N472 HydrophobicContact CZ-CB 4.22Å; F400-K484 HydrophobicContact CB-CB 3.95Å; F400-K484 HydrophobicContact CD1-CB 4.18Å; F400-K484 HydrophobicContact CD2-CB 4.19Å; F400-K484 HydrophobicContact CG-CB 3.85Å; F400-K484 PolarHBondContact N-O 2.87Å; F400-G485 VanDerWaalsContact CD1-CA 3.44Å |
| 401 | E | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -46.5 | 178.4 | -57.6 | 67.5 | -152.9 | 0 | 0 | 111.5 | W131 L134 N135 S399 L403 N404 R475 K483 K484 | W131-E401 HydrophobicContact CE3-CB 4.19Å; W131-E401 HydrophobicContact CE3-CG 4.12Å; W131-E401 HydrophobicContact CZ3-CB 4.17Å; L134-E401 HydrophobicContact CB-CG 3.89Å; L134-E401 HydrophobicContact CD1-CG 4.44Å; N135-E401 HydrophobicContact CB-CB 4.27Å; S399-E401 WeakPolarHBondContact CB-OE2 3.19Å; S399-E401 PolarHBondContact O-N 3.13Å; S399-E401 PolarHBondContact OG-N 3.26Å; S399-E401 PolarHBondContact OG-OE2 3.01Å; E401-L403 PolarHBondContact O-N 3.03Å; E401-N404 PolarHBondContact O-N 3.06Å; E401-R475 IonicContact OE1-CZ 3.85Å; E401-R475 IonicContact OE1-NE 3.37Å; E401-R475 PolarHBondContact OE1-NE 2.81Å; E401-R475 IonicContact OE1-NH2 3.16Å; E401-R475 PolarHBondContact OE1-NH2 3.2Å; E401-K483 HydrophobicContact CG-CG 4.36Å; E401-K483 WeakPolarHBondContact OE1-CA 3.14Å; E401-K483 WeakPolarHBondContact OE2-CB 3.44Å; E401-K484 PolarHBondContact OE1-N 2.84Å; E401-K484 VanDerWaalsContact OE1-N 3.1Å; E401-K484 PolarHBondContact OE2-N 3.07Å |
| 402 | S | 97 | Very high | 97.6 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.6 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | S399 N404 | S399-S402 PolarHBondContact O-N 2.69Å; S399-S402 PolarHBondContact OG-N 2.83Å; S399-S402 PolarHBondContact OG-OG 2.85Å; S402-N404 VanDerWaalsContact C-N 3.27Å |
| 403 | L | 97.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.5 | 172.3 | -65.3 | 172.1 | 0 | 0 | 0 | 113.4 | V392 Q398 S399 F400 E401 W405 V410 H502 R504 | V392-L403 HydrophobicContact CB-CD2 3.78Å; V392-L403 HydrophobicContact CG1-CD2 3.88Å; V392-L403 HydrophobicContact CG2-CD2 3.97Å; Q398-L403 HydrophobicContact CB-CD1 4.24Å; Q398-L403 HydrophobicContact CB-CD2 3.84Å; Q398-L403 HydrophobicContact CB-CG 3.8Å; Q398-L403 HydrophobicContact CG-CD2 4.25Å; S399-L403 WeakPolarHBondContact O-CG 3.35Å; S399-L403 PolarHBondContact O-N 2.83Å; F400-L403 CarbonylContact O-C 3.42Å; F400-L403 PolarHBondContact O-N 2.92Å; E401-L403 PolarHBondContact O-N 3.03Å; L403-W405 HydrophobicContact CB-CB 4.24Å; L403-W405 PolarHBondContact O-N 3.14Å; L403-V410 HydrophobicContact CD1-CG1 3.73Å; L403-V410 HydrophobicContact CD1-CG2 4.22Å; L403-H502 HydrophobicContact CD1-CB 3.97Å; L403-H502 HydrophobicContact CD2-CB 3.8Å; L403-R504 WeakPolarHBondContact O-CD 3.41Å; L403-R504 PolarHBondContact O-NH1 3.44Å |
| 404 | N | 96.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 43% | 0.428 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 44 | -171.3 | -170.7 | 35.5 | 0 | 0 | 0 | 111 | W131 F400 E401 S402 | W131-N404 HydrophobicContact CH2-CB 4.45Å; W131-N404 WeakPolarHBondContact CH2-OD1 3.38Å; W131-N404 WeakPolarHBondContact CZ2-OD1 3.25Å; F400-N404 PolarHBondContact O-N 3.07Å; E401-N404 PolarHBondContact O-N 3.06Å; S402-N404 VanDerWaalsContact C-N 3.27Å |
| 405 | W | 96.5 | Very high | 97.6 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 16% | 0.159 | 18% | 0.18 | C | C | . | . | trans | -129.1 | 100.3 | -176.3 | -163 | -110.8 | 0 | 0 | 0 | 110.1 | M389 F400 L403 Y407 T409 V410 R504 I505 | M389-W405 HydrophobicContact SD-CE3 3.96Å; M389-W405 HydrophobicContact SD-CH2 4.49Å; M389-W405 HydrophobicContact SD-CZ3 3.54Å; M389-W405 VanDerWaalsContact SD-CZ3 3.54Å; F400-W405 CarbonylContact C-O 3.51Å; F400-W405 VanDerWaalsContact CB-O 3.25Å; F400-W405 WeakPolarHBondContact CB-O 3.35Å; F400-W405 PolarHBondContact O-N 3.36Å; L403-W405 HydrophobicContact CB-CB 4.24Å; L403-W405 PolarHBondContact O-N 3.14Å; W405-Y407 PolarHBondContact NE1-O 2.96Å; W405-Y407 VanDerWaalsContact NE1-O 3.12Å; W405-T409 PolarHBondContact NE1-O 3.09Å; W405-V410 HydrophobicContact CG-CG2 4.24Å; W405-R504 HydrophobicContact CB-CG 3.87Å; W405-R504 HydrophobicContact CD2-CB 3.59Å; W405-R504 HydrophobicContact CD2-CG 3.77Å; W405-R504 HydrophobicContact CE3-CB 3.78Å; W405-R504 HydrophobicContact CE3-CG 4.01Å; W405-R504 HydrophobicContact CG-CB 4Å; W405-R504 HydrophobicContact CG-CG 3.7Å; W405-R504 HydrophobicContact CH2-CB 4.46Å; W405-R504 HydrophobicContact CZ2-CB 4.31Å; W405-R504 HydrophobicContact CZ3-CB 4.21Å; W405-I505 VanDerWaalsContact CZ2-O 3.29Å; W405-I505 WeakPolarHBondContact CZ2-O 3.47Å | ||
| 406 | P | 95.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | trans | -74 | -38.6 | -163.4 | 26.6 | -35.8 | 0 | 0 | 0 | 114.6 | W131 N472 R475 | W131-P406 HydrophobicContact CB-CB 4.49Å; W131-P406 VanDerWaalsContact CD1-CB 3.43Å; W131-P406 HydrophobicContact CD2-CB 3.71Å; W131-P406 HydrophobicContact CG-CB 3.61Å; W131-P406 HydrophobicContact CZ2-CB 4.43Å; P406-N472 PolarHBondContact O-ND2 3.48Å; P406-R475 PolarHBondContact O-NH1 2.9Å; P406-R475 PolarHBondContact O-NH2 2.98Å | ||
| 407 | Y | 96.9 | Very high | 97 | Very high | 35 Ų | 35 | 27.6 Ų | 27.6 | 14% | 0.137 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -141.6 | 175.2 | -161.8 | -48.7 | -57 | 0 | 0 | 0 | 112.2 | E125 F311 M312 W405 T409 | E125-Y407 HydrophobicContact CG-CD1 4.28Å; E125-Y407 HydrophobicContact CG-CE1 3.6Å; F311-Y407 HydrophobicContact CB-CD1 4.47Å; F311-Y407 HydrophobicContact CB-CG 4.12Å; F311-Y407 VanDerWaalsContact CD2-CB 3.47Å; F311-Y407 HydrophobicContact CD2-CG 4.39Å; M312-Y407 HydrophobicContact CE-CD1 4.25Å; M312-Y407 HydrophobicContact CE-CD2 3.91Å; M312-Y407 HydrophobicContact CE-CE1 4.03Å; M312-Y407 HydrophobicContact CE-CE2 3.66Å; M312-Y407 HydrophobicContact CE-CG 4.21Å; W405-Y407 PolarHBondContact NE1-O 2.96Å; W405-Y407 VanDerWaalsContact NE1-O 3.12Å; Y407-T409 PolarHBondContact O-N 3.39Å |
| 408 | G | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 71.4 | -117.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F311 N472 | F311-G408 VanDerWaalsContact CZ-CA 3.49Å; G408-N472 PolarHBondContact O-N 3.21Å |
| 409 | T | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.1 | -161.2 | -42.1 | 0 | 0 | 0 | 0 | 112.3 | W405 Y407 L469 V470 I505 Y600 | W405-T409 PolarHBondContact NE1-O 3.09Å; Y407-T409 PolarHBondContact O-N 3.39Å; T409-L469 HydrophobicContact CG2-CD1 3.31Å; T409-L469 HydrophobicContact CG2-CD2 4.1Å; T409-L469 HydrophobicContact CG2-CG 3.44Å; T409-L469 VanDerWaalsContact CG2-CG 3.44Å; T409-V470 VanDerWaalsContact CA-O 3.29Å; T409-V470 WeakPolarHBondContact CA-O 3.36Å; T409-V470 WeakPolarHBondContact CG2-O 3.43Å; T409-I505 WeakPolarHBondContact O-CB 3.49Å; T409-I505 PolarHBondContact O-N 3.28Å; T409-Y600 HydrophobicContact CG2-CE1 4.37Å; T409-Y600 PolarHBondContact OG1-OH 2.62Å |
| 410 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.1 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | F400 L403 W405 Y412 V470 H502 Y503 | F400-V410 HydrophobicContact CD1-CB 4.3Å; F400-V410 HydrophobicContact CD1-CG2 3.81Å; F400-V410 HydrophobicContact CD2-CG2 4.25Å; F400-V410 HydrophobicContact CE1-CB 3.66Å; F400-V410 HydrophobicContact CE1-CG2 3.54Å; F400-V410 HydrophobicContact CE2-CG2 4Å; F400-V410 HydrophobicContact CG-CG2 4.18Å; F400-V410 HydrophobicContact CZ-CB 3.91Å; F400-V410 HydrophobicContact CZ-CG2 3.66Å; L403-V410 HydrophobicContact CD1-CG1 3.73Å; L403-V410 HydrophobicContact CD1-CG2 4.22Å; W405-V410 HydrophobicContact CG-CG2 4.24Å; V410-Y412 HydrophobicContact CB-CD2 4.46Å; V410-Y412 HydrophobicContact CB-CE2 3.81Å; V410-Y412 HydrophobicContact CG1-CD2 3.95Å; V410-Y412 HydrophobicContact CG1-CE2 3.51Å; V410-V470 PolarHBondContact N-O 3.1Å; V410-V470 PolarHBondContact O-N 2.98Å; V410-H502 HydrophobicContact CG1-CB 4.47Å; V410-Y503 WeakPolarHBondContact CA-O 3.31Å; V410-Y503 WeakPolarHBondContact CG1-O 2.73Å |
| 411 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126 | 169.4 | -173.7 | 77.2 | 0 | 0 | 0 | 109.8 | V380 L383 Q467 L469 H502 Y503 I505 | V380-L411 HydrophobicContact CG2-CD2 4.49Å; L383-L411 HydrophobicContact CD1-CD2 3.6Å; L383-L411 HydrophobicContact CD2-CD2 3.72Å; L383-L411 HydrophobicContact CG-CD2 4.21Å; L411-Q467 HydrophobicContact CD1-CB 4.12Å; L411-Q467 HydrophobicContact CD2-CG 4.39Å; L411-L469 HydrophobicContact CB-CD1 4.02Å; L411-L469 HydrophobicContact CD1-CB 3.79Å; L411-L469 HydrophobicContact CD1-CD1 3.94Å; L411-H502 WeakPolarHBondContact O-CA 3.41Å; L411-Y503 HydrophobicContact CB-CD2 4.21Å; L411-Y503 HydrophobicContact CD2-CD2 3.99Å; L411-Y503 HydrophobicContact CD2-CE2 4.44Å; L411-Y503 HydrophobicContact CG-CD2 4.34Å; L411-Y503 PolarHBondContact N-O 3.23Å; L411-Y503 PolarHBondContact O-N 3.33Å; L411-I505 HydrophobicContact CB-CD1 4.26Å |
| 412 | Y | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.1 | 173.8 | -62.2 | -106.7 | 0 | 0 | 0 | 108.8 | T397 Q398 F400 V410 Q467 I468 V470 G485 I486 H502 | T397-Y412 HydrophobicContact CG2-CD1 4.04Å; T397-Y412 HydrophobicContact CG2-CE1 4.45Å; Q398-Y412 WeakPolarHBondContact O-CE1 3.45Å; Q398-Y412 PolarHBondContact O-OH 2.96Å; F400-Y412 HydrophobicContact CE1-CE2 4.49Å; V410-Y412 HydrophobicContact CB-CD2 4.46Å; V410-Y412 HydrophobicContact CB-CE2 3.81Å; V410-Y412 HydrophobicContact CG1-CD2 3.95Å; V410-Y412 HydrophobicContact CG1-CE2 3.51Å; Y412-Q467 CarbonylContact O-C 3.53Å; Y412-Q467 WeakPolarHBondContact O-CA 3.25Å; Y412-I468 WeakPolarHBondContact CD2-O 3.08Å; Y412-I468 PolarHBondContact N-O 3.44Å; Y412-I468 PolarHBondContact O-N 3.01Å; Y412-V470 HydrophobicContact CD2-CB 4.35Å; Y412-V470 HydrophobicContact CD2-CG2 3.78Å; Y412-V470 HydrophobicContact CE2-CB 3.91Å; Y412-V470 HydrophobicContact CE2-CG2 3.68Å; Y412-G485 VanDerWaalsContact OH-CA 3.27Å; Y412-G485 WeakPolarHBondContact OH-CA 3.35Å; Y412-I486 HydrophobicContact CD1-CD1 3.99Å; Y412-I486 HydrophobicContact CD1-CG1 4.38Å; Y412-I486 HydrophobicContact CD2-CD1 3.96Å; Y412-I486 HydrophobicContact CD2-CG1 4.31Å; Y412-I486 HydrophobicContact CE1-CB 4.19Å; Y412-I486 HydrophobicContact CE1-CD1 4.31Å; Y412-I486 HydrophobicContact CE1-CG1 4.19Å; Y412-I486 HydrophobicContact CE2-CD1 4.31Å; Y412-I486 HydrophobicContact CE2-CG1 4.15Å; Y412-I486 HydrophobicContact CG-CD1 3.81Å; Y412-I486 HydrophobicContact CG-CG1 4.45Å; Y412-I486 PolarHBondContact OH-N 3.17Å; Y412-H502 AromaticContact CD1-CD2 3.34Å; Y412-H502 WeakPolarHBondContact CD1-CD2 3.48Å; Y412-H502 AromaticContact CD1-NE2 3.58Å; Y412-H502 AromaticContact CE1-CD2 3.36Å; Y412-H502 WeakPolarHBondContact CE1-CD2 3.37Å; Y412-H502 AromaticContact CE1-NE2 3.67Å |
| 413 | E | 98.4 | Very high | 96 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.4 | -176.6 | -178.1 | 173.9 | 80.3 | 0 | 0 | 111 | T465 L466 Q467 W500 I501 Y503 | E413-T465 HydrophobicContact CG-CG2 3.47Å; E413-T465 VanDerWaalsContact CG-CG2 3.47Å; E413-L466 WeakPolarHBondContact CA-O 3.33Å; E413-Q467 HydrophobicContact CB-CG 4.37Å; E413-Q467 HydrophobicContact CG-CG 4.09Å; E413-Q467 PolarHBondContact OE2-NE2 2.86Å; E413-W500 WeakPolarHBondContact O-CA 3.45Å; E413-I501 HydrophobicContact CB-CB 4.31Å; E413-I501 PolarHBondContact N-O 3.26Å; E413-I501 PolarHBondContact O-N 3.19Å; E413-Y503 HydrophobicContact CB-CE2 3.82Å; E413-Y503 PolarHBondContact OE1-OH 3.07Å |
| 414 | A | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L466 W500 | A414-L466 PolarHBondContact N-O 2.83Å; A414-L466 PolarHBondContact O-N 2.85Å; A414-W500 HydrophobicContact CB-CD2 3.89Å; A414-W500 HydrophobicContact CB-CE3 3.67Å; A414-W500 HydrophobicContact CB-CH2 3.74Å; A414-W500 HydrophobicContact CB-CZ2 3.91Å; A414-W500 HydrophobicContact CB-CZ3 3.62Å |
| 415 | R | 96.6 | Very high | 96.1 | Very high | 128 Ų | 128 | 38.1 Ų | 38.1 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.5 | 170.2 | -162.6 | 64.8 | 167.8 | 161.9 | -4.4 | 109.4 | P417 N463 S464 T465 | R415-P417 WeakPolarHBondContact O-CD 3.16Å; R415-N463 PolarHBondContact NH1-O 3.28Å; R415-N463 VanDerWaalsContact NH2-CB 3.28Å; R415-N463 PolarHBondContact NH2-O 3.04Å; R415-S464 WeakPolarHBondContact CD-O 3.25Å; R415-S464 PolarHBondContact NH1-O 3.01Å; R415-T465 PolarHBondContact NH1-OG1 3.4Å |
| 416 | V | 94.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -90.7 | 114.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | F418 I460 S464 L466 L492 | V416-F418 HydrophobicContact CG1-CB 3.95Å; V416-F418 HydrophobicContact CG1-CD2 3.48Å; V416-F418 VanDerWaalsContact CG1-CD2 3.48Å; V416-F418 HydrophobicContact CG1-CE2 4.26Å; V416-F418 HydrophobicContact CG1-CG 4.01Å; V416-F418 PolarHBondContact O-N 2.95Å; V416-I460 HydrophobicContact CB-CG2 4.44Å; V416-I460 HydrophobicContact CG1-CD1 4.44Å; V416-I460 HydrophobicContact CG1-CG1 4.47Å; V416-I460 HydrophobicContact CG1-CG2 3.89Å; V416-I460 HydrophobicContact CG2-CD1 4.12Å; V416-S464 PolarHBondContact N-O 2.69Å; V416-L466 HydrophobicContact CG2-CB 3.76Å; V416-L492 HydrophobicContact CB-CD1 4.48Å; V416-L492 HydrophobicContact CG1-CD1 3.6Å; V416-L492 HydrophobicContact CG2-CD1 4.02Å | ||
| 417 | P | 89 | Confident | 96.2 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 66% | 0.656 | 21% | 0.209 | S | C | * | . | trans | -86.8 | 24.4 | -177.3 | 37.6 | -36.6 | 0 | 0 | 0 | 112.6 | R415 | R415-P417 WeakPolarHBondContact O-CD 3.16Š| ||
| 418 | F | 89.5 | Confident | 96.1 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 23% | 0.232 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -109.6 | 155.4 | -175.7 | -50.3 | -44.5 | 0 | 0 | 0 | 110.5 | V416 Y423 L492 A495 L497 | V416-F418 HydrophobicContact CG1-CB 3.95Å; V416-F418 HydrophobicContact CG1-CD2 3.48Å; V416-F418 VanDerWaalsContact CG1-CD2 3.48Å; V416-F418 HydrophobicContact CG1-CE2 4.26Å; V416-F418 HydrophobicContact CG1-CG 4.01Å; V416-F418 PolarHBondContact O-N 2.95Å; F418-Y423 HydrophobicContact CB-CE1 4.18Å; F418-Y423 HydrophobicContact CB-CE2 4.43Å; F418-Y423 HydrophobicContact CD2-CE1 4.33Å; F418-Y423 HydrophobicContact CG-CE1 4.4Å; F418-L492 HydrophobicContact CD2-CB 4.14Å; F418-L492 HydrophobicContact CD2-CD1 3.81Å; F418-L492 HydrophobicContact CE2-CB 3.82Å; F418-L492 HydrophobicContact CE2-CD1 3.9Å; F418-L492 HydrophobicContact CE2-CG 4.29Å; F418-A495 HydrophobicContact CE1-CB 4.04Å; F418-A495 HydrophobicContact CE2-CB 4.1Å; F418-A495 HydrophobicContact CZ-CB 3.41Å; F418-A495 VanDerWaalsContact CZ-CB 3.41Å; F418-L497 HydrophobicContact CE2-CD2 3.77Å; F418-L497 HydrophobicContact CZ-CD2 4.16Å |
| 419 | S | 92 | Very high | 96 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 53% | 0.531 | 23% | 0.227 | S | C | . | . | trans | -65.9 | 163 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | G421 Y423 D462 | S419-G421 PolarHBondContact O-N 2.71Å; S419-Y423 WeakPolarHBondContact O-CE2 3.22Å; S419-Y423 PolarHBondContact O-OH 3.48Å; S419-D462 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 420 | A | 94.9 | Very high | 96 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -52.4 | 135.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I460 D462 | A420-I460 CarbonylContact C-O 3.57Å; A420-I460 VanDerWaalsContact CA-O 3.22Å; A420-I460 WeakPolarHBondContact CA-O 3.33Å; A420-D462 PolarHBondContact N-OD1 3.11Å |
| 421 | G | 95.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S419 Y423 I460 | S419-G421 PolarHBondContact O-N 2.71Å; G421-Y423 WeakPolarHBondContact O-CD2 3.43Å; G421-I460 PolarHBondContact N-O 3.12Å; G421-I460 PolarHBondContact O-N 3.49Å |
| 422 | K | 96.6 | Very high | 95.7 | Very high | 134 Ų | 134 | 42 Ų | 42 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.2 | 173.6 | -171.6 | 178.4 | 178.5 | -168.3 | 0 | 109 | D457 | K422-D457 WeakPolarHBondContact CE-OD2 3.18Å; K422-D457 IonicContact NZ-OD2 2.71Å; K422-D457 PolarHBondContact NZ-OD2 3.1Å |
| 423 | Y | 97 | Very high | 95.6 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.6 | -176.8 | -66.7 | -91.9 | 0 | 0 | 0 | 111.1 | F418 S419 G421 D457 I458 I460 L492 | F418-Y423 HydrophobicContact CB-CE1 4.18Å; F418-Y423 HydrophobicContact CB-CE2 4.43Å; F418-Y423 HydrophobicContact CD2-CE1 4.33Å; F418-Y423 HydrophobicContact CG-CE1 4.4Å; S419-Y423 WeakPolarHBondContact O-CE2 3.22Å; S419-Y423 PolarHBondContact O-OH 3.48Å; G421-Y423 WeakPolarHBondContact O-CD2 3.43Å; Y423-D457 CarbonylContact O-C 3.6Å; Y423-D457 WeakPolarHBondContact O-CA 3.33Å; Y423-I458 PolarHBondContact N-O 2.98Å; Y423-I458 PolarHBondContact O-N 3.06Å; Y423-I460 HydrophobicContact CD2-CB 3.75Å; Y423-I460 HydrophobicContact CD2-CG1 3.65Å; Y423-I460 HydrophobicContact CD2-CG2 4.5Å; Y423-I460 HydrophobicContact CE2-CB 3.88Å; Y423-I460 HydrophobicContact CE2-CG1 4.23Å; Y423-I460 HydrophobicContact CE2-CG2 4.24Å; Y423-I460 HydrophobicContact CG-CG1 4.46Å; Y423-L492 HydrophobicContact CD1-CB 4.19Å; Y423-L492 HydrophobicContact CG-CB 4.37Å |
| 424 | V | 97.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 39% | 0.394 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.2 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | L492 S493 | V424-L492 CarbonylContact O-C 3.54Å; V424-L492 WeakPolarHBondContact O-CA 3.47Å; V424-S493 PolarHBondContact N-OG 2.87Å; V424-S493 VanDerWaalsContact N-OG 3.13Å; V424-S493 PolarHBondContact O-N 3.31Å |
| 425 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.8 | 169.8 | 176.1 | 67.3 | 0 | 0 | 0 | 109.6 | I427 V436 L446 S455 M456 I458 L466 V490 S491 L492 | L425-I427 HydrophobicContact CD1-CG1 4.37Å; L425-I427 HydrophobicContact CD2-CD1 4.32Å; L425-I427 HydrophobicContact CD2-CG1 4.43Å; L425-I427 HydrophobicContact CG-CG1 4.23Å; L425-V436 HydrophobicContact CD2-CB 4.2Å; L425-V436 HydrophobicContact CD2-CG1 3.42Å; L425-V436 VanDerWaalsContact CD2-CG1 3.42Å; L425-V436 HydrophobicContact CD2-CG2 3.67Å; L425-L446 HydrophobicContact CD2-CD1 4.31Å; L425-S455 CarbonylContact O-C 3.6Å; L425-S455 WeakPolarHBondContact O-CA 3.16Å; L425-S455 VanDerWaalsContact O-CB 3.23Å; L425-S455 WeakPolarHBondContact O-CB 3.45Å; L425-M456 HydrophobicContact CB-CG 4.35Å; L425-M456 HydrophobicContact CD2-CG 4.4Å; L425-M456 PolarHBondContact N-O 2.81Å; L425-M456 PolarHBondContact O-N 3.33Å; L425-I458 HydrophobicContact CB-CD1 4.1Å; L425-I458 HydrophobicContact CB-CG1 4.2Å; L425-I458 HydrophobicContact CB-CG2 4.03Å; L425-I458 HydrophobicContact CD2-CG2 4.2Å; L425-L466 HydrophobicContact CD1-CD2 4.02Å; L425-V490 HydrophobicContact CD1-CG1 3.56Å; L425-S491 WeakPolarHBondContact CA-O 3.43Å; L425-L492 HydrophobicContact CB-CD2 3.95Å; L425-L492 HydrophobicContact CD1-CD2 3.63Å; L425-L492 HydrophobicContact CG-CD2 4.39Å |
| 426 | K | 97.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 35 Ų | 35 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.5 | 172.1 | -162.6 | -173 | -164.1 | -141.2 | 0 | 109.5 | E453 V490 S491 | K426-E453 HydrophobicContact CD-CB 4.46Å; K426-E453 WeakPolarHBondContact CD-OE2 3.27Å; K426-E453 VanDerWaalsContact CE-CD 3.4Å; K426-E453 WeakPolarHBondContact CE-OE2 3.43Å; K426-E453 HydrophobicContact CG-CB 4.15Å; K426-E453 WeakPolarHBondContact CG-OE2 3.29Å; K426-E453 IonicContact NZ-OE1 2.9Å; K426-E453 PolarHBondContact NZ-OE1 3.38Å; K426-E453 IonicContact NZ-OE2 2.76Å; K426-E453 PolarHBondContact NZ-OE2 2.92Å; K426-V490 WeakPolarHBondContact O-CA 3.35Å; K426-S491 PolarHBondContact N-O 2.93Å; K426-S491 PolarHBondContact O-N 3.27Å |
| 427 | I | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 102.3 | 178.4 | -52.4 | 179.4 | 0 | 0 | 0 | 109.1 | L425 L430 A434 L446 P454 I468 I486 V490 | L425-I427 HydrophobicContact CD1-CG1 4.37Å; L425-I427 HydrophobicContact CD2-CD1 4.32Å; L425-I427 HydrophobicContact CD2-CG1 4.43Å; L425-I427 HydrophobicContact CG-CG1 4.23Å; I427-L430 HydrophobicContact CB-CB 4.37Å; I427-L430 HydrophobicContact CG2-CB 3.78Å; I427-L430 HydrophobicContact CG2-CD1 4.31Å; I427-L430 HydrophobicContact CG2-CG 4.47Å; I427-A434 HydrophobicContact CD1-CB 4.36Å; I427-L446 HydrophobicContact CD1-CD1 3.75Å; I427-L446 HydrophobicContact CG1-CD1 4.07Å; I427-P454 HydrophobicContact CB-CG 4.5Å; I427-P454 PolarHBondContact N-O 2.66Å; I427-P454 VanDerWaalsContact N-O 3.1Å; I427-P454 WeakPolarHBondContact O-CD 3.21Å; I427-P454 WeakPolarHBondContact O-CG 3.28Å; I427-I468 HydrophobicContact CD1-CD1 3.95Å; I427-I468 HydrophobicContact CD1-CG2 4.02Å; I427-I468 HydrophobicContact CG1-CD1 4.47Å; I427-I486 HydrophobicContact CG2-CD1 4.25Å; I427-I486 HydrophobicContact CG2-CG1 4.21Å; I427-I486 HydrophobicContact CG2-CG2 3.7Å; I427-V490 HydrophobicContact CG1-CG2 4.46Å; I427-V490 HydrophobicContact CG2-CG2 4.19Å |
| 428 | S | 95.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 133.1 | 176.3 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | E453 G488 N489 | S428-E453 WeakPolarHBondContact CB-OE2 3.4Å; S428-E453 VanDerWaalsContact OG-CD 3.31Å; S428-E453 PolarHBondContact OG-OE2 3.36Å; S428-G488 CarbonylContact O-C 3.26Å; S428-G488 WeakPolarHBondContact O-CA 3.46Å; S428-G488 PolarHBondContact O-N 3.39Å; S428-N489 WeakPolarHBondContact CB-O 3.28Å; S428-N489 PolarHBondContact N-O 3.21Å; S428-N489 PolarHBondContact OG-O 3.11Å |
| 429 | G | 95.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L487 | G429-L487 WeakPolarHBondContact O-CB 3.42Å; G429-L487 WeakPolarHBondContact O-CG 3.26Å; G429-L487 PolarHBondContact O-N 3.07Å |
| 430 | L | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.8 | 172.6 | 177.4 | 60.9 | 0 | 0 | 0 | 111.1 | I427 A434 L446 E448 P454 V470 I486 | I427-L430 HydrophobicContact CB-CB 4.37Å; I427-L430 HydrophobicContact CG2-CB 3.78Å; I427-L430 HydrophobicContact CG2-CD1 4.31Å; I427-L430 HydrophobicContact CG2-CG 4.47Å; L430-A434 HydrophobicContact CD1-CB 3.74Å; L430-A434 HydrophobicContact CD2-CB 3.72Å; L430-A434 HydrophobicContact CG-CB 4.39Å; L430-L446 HydrophobicContact CD2-CB 3.94Å; L430-L446 WeakPolarHBondContact CD2-O 3.23Å; L430-E448 WeakPolarHBondContact O-CB 3.44Å; L430-P454 HydrophobicContact CB-CG 3.95Å; L430-P454 HydrophobicContact CD2-CB 4.49Å; L430-P454 HydrophobicContact CD2-CG 3.9Å; L430-V470 HydrophobicContact CD1-CG1 3.97Å; L430-V470 HydrophobicContact CD1-CG2 4Å; L430-I486 HydrophobicContact CD1-CG1 4.4Å |
| 431 | K | 96 | Very high | 96.1 | Very high | 31 Ų | 31 | 30 Ų | 30 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 99 | 177.3 | -68.7 | -70.4 | -174.6 | 174.9 | 0 | 109.6 | E448 V470 D482 K483 K484 G485 L487 | K431-E448 VanDerWaalsContact CD-OE2 3.31Å; K431-E448 WeakPolarHBondContact CD-OE2 3.28Å; K431-E448 VanDerWaalsContact CE-CD 3.45Å; K431-E448 WeakPolarHBondContact CE-OE1 3.08Å; K431-E448 VanDerWaalsContact CE-OE2 3.25Å; K431-E448 WeakPolarHBondContact CE-OE2 3.43Å; K431-E448 IonicContact NZ-OE1 3.35Å; K431-E448 PolarHBondContact NZ-OE1 2.91Å; K431-E448 IonicContact NZ-OE2 2.69Å; K431-E448 PolarHBondContact NZ-OE2 3.46Å; K431-V470 WeakPolarHBondContact O-CG1 3.45Å; K431-D482 IonicContact NZ-OD1 2.85Å; K431-K483 WeakPolarHBondContact CB-O 3.49Å; K431-K483 WeakPolarHBondContact CG-O 3.31Å; K431-K484 HydrophobicContact CB-CD 4.02Å; K431-G485 PolarHBondContact N-O 2.75Å; K431-G485 WeakPolarHBondContact O-CA 3.4Å; K431-G485 PolarHBondContact O-N 2.93Å; K431-L487 HydrophobicContact CG-CD1 4.03Å; K431-L487 HydrophobicContact CG-CG 4.44Å |
| 432 | D | 94.8 | Very high | 96 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | S | Bend | cis | -128.4 | -44 | 11.9 | -54.1 | -62 | 0 | 0 | 0 | 113.1 | M447 E448 E471 L473 K484 | D432-M447 WeakPolarHBondContact O-CA 3.26Å; D432-M447 WeakPolarHBondContact O-CG 3.47Å; D432-E448 PolarHBondContact O-N 3.17Å; D432-E471 PolarHBondContact N-O 3.32Å; D432-L473 HydrophobicContact CB-CB 3.94Å; D432-L473 HydrophobicContact CB-CD1 3.94Å; D432-L473 HydrophobicContact CB-CG 3.91Å; D432-L473 PolarHBondContact OD2-N 3.2Å; D432-K484 VanDerWaalsContact CG-NZ 3.27Å; D432-K484 IonicContact OD1-NZ 3.9Å; D432-K484 PolarHBondContact OD1-NZ 3.26Å; D432-K484 WeakPolarHBondContact OD2-CE 3.25Å; D432-K484 IonicContact OD2-NZ 3.77Å; D432-K484 PolarHBondContact OD2-NZ 2.86Å |
| 433 | L | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.6 | -179.3 | 178.5 | 64.2 | 0 | 0 | 0 | 110.1 | Y435 M447 V470 E471 L473 K558 W572 | L433-Y435 HydrophobicContact CD2-CE2 4.28Å; L433-Y435 VanDerWaalsContact CD2-OH 3.23Å; L433-Y435 WeakPolarHBondContact CD2-OH 3.31Å; L433-Y435 HydrophobicContact CG-CE2 4.23Å; L433-M447 HydrophobicContact CD1-CB 3.97Å; L433-M447 HydrophobicContact CD1-CG 4.42Å; L433-V470 WeakPolarHBondContact O-CA 3.46Å; L433-E471 PolarHBondContact N-O 2.82Å; L433-E471 PolarHBondContact O-N 3.13Å; L433-L473 HydrophobicContact CB-CD1 3.89Å; L433-L473 HydrophobicContact CB-CG 4.23Å; L433-K558 HydrophobicContact CD2-CD 4.28Å; L433-W572 HydrophobicContact CD2-CH2 4.21Å |
| 434 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I427 L430 T445 L446 I468 L469 V470 | I427-A434 HydrophobicContact CD1-CB 4.36Å; L430-A434 HydrophobicContact CD1-CB 3.74Å; L430-A434 HydrophobicContact CD2-CB 3.72Å; L430-A434 HydrophobicContact CG-CB 4.39Å; A434-T445 CarbonylContact O-C 3.51Å; A434-T445 VanDerWaalsContact O-CA 3.23Å; A434-T445 WeakPolarHBondContact O-CA 3.23Å; A434-L446 HydrophobicContact CB-CB 4.37Å; A434-L446 PolarHBondContact N-O 3.5Å; A434-L446 PolarHBondContact O-N 2.76Å; A434-I468 HydrophobicContact CB-CG2 3.74Å; A434-L469 CarbonylContact C-O 3.56Å; A434-L469 WeakPolarHBondContact CA-O 3.43Å; A434-V470 HydrophobicContact CB-CG2 4.29Å |
| 435 | Y | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.8 | 166.2 | -50.4 | -93.7 | 0 | 0 | 0 | 107.6 | L433 T445 L469 E471 P533 Y600 | L433-Y435 HydrophobicContact CD2-CE2 4.28Å; L433-Y435 VanDerWaalsContact CD2-OH 3.23Å; L433-Y435 WeakPolarHBondContact CD2-OH 3.31Å; L433-Y435 HydrophobicContact CG-CE2 4.23Å; Y435-T445 HydrophobicContact CD1-CG2 3.54Å; Y435-T445 HydrophobicContact CE1-CG2 3.84Å; Y435-T445 HydrophobicContact CG-CG2 4.44Å; Y435-L469 HydrophobicContact CD2-CB 4.39Å; Y435-L469 HydrophobicContact CD2-CD2 4.17Å; Y435-L469 HydrophobicContact CD2-CG 4.43Å; Y435-L469 WeakPolarHBondContact CD2-O 3.21Å; Y435-L469 PolarHBondContact N-O 2.97Å; Y435-L469 PolarHBondContact O-N 3.32Å; Y435-E471 HydrophobicContact CE2-CB 4.38Å; Y435-E471 PolarHBondContact OH-OE2 3Å; Y435-P533 HydrophobicContact CD1-CG 4.29Å; Y435-P533 HydrophobicContact CG-CG 4.07Å; Y435-Y600 HydrophobicContact CD2-CD1 4.12Å; Y435-Y600 HydrophobicContact CE1-CG 4.37Å; Y435-Y600 AromaticContact CE2-CD1 3.59Å; Y435-Y600 HydrophobicContact CE2-CD1 3.59Å; Y435-Y600 HydrophobicContact CE2-CE1 4.22Å; Y435-Y600 AromaticContact CE2-CG 3.94Å; Y435-Y600 HydrophobicContact CE2-CG 3.94Å; Y435-Y600 AromaticContact CZ-CD1 3.85Å; Y435-Y600 AromaticContact CZ-CG 3.71Å; Y435-Y600 VanDerWaalsContact OH-CB 3.22Å; Y435-Y600 WeakPolarHBondContact OH-CB 3.05Å |
| 436 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.6 | -175.4 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | L425 L442 Q443 G444 L446 M456 I458 L466 | L425-V436 HydrophobicContact CD2-CB 4.2Å; L425-V436 HydrophobicContact CD2-CG1 3.42Å; L425-V436 VanDerWaalsContact CD2-CG1 3.42Å; L425-V436 HydrophobicContact CD2-CG2 3.67Å; V436-L442 WeakPolarHBondContact O-CD1 3.25Å; V436-Q443 HydrophobicContact CG1-CB 4.25Å; V436-Q443 PolarHBondContact O-N 3.26Å; V436-G444 PolarHBondContact N-O 3.12Å; V436-L446 HydrophobicContact CG2-CD1 4.15Å; V436-L446 HydrophobicContact CG2-CG 4.33Å; V436-M456 HydrophobicContact CB-SD 3.91Å; V436-M456 HydrophobicContact CG1-SD 4.3Å; V436-M456 HydrophobicContact CG2-SD 3.75Å; V436-I458 HydrophobicContact CG1-CG2 3.95Å; V436-L466 HydrophobicContact CG1-CD1 4.01Å |
| 437 | I | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.9 | -173.4 | -56.1 | 168.8 | 0 | 0 | 0 | 107.7 | V380 G440 Q441 L442 Q467 T532 | V380-I437 HydrophobicContact CG2-CD1 4.07Å; I437-G440 VanDerWaalsContact CG2-CA 3.44Å; I437-Q441 CarbonylContact C-O 3.2Å; I437-Q441 WeakPolarHBondContact CA-O 3.42Å; I437-L442 HydrophobicContact CG1-CD1 4.1Å; I437-Q467 WeakPolarHBondContact CA-O 3.25Å; I437-Q467 HydrophobicContact CB-CB 3.87Å; I437-Q467 WeakPolarHBondContact CB-O 2.95Å; I437-Q467 HydrophobicContact CG2-CB 4.28Å; I437-Q467 PolarHBondContact N-O 2.87Å; I437-Q467 WeakPolarHBondContact O-CA 3.32Å; I437-Q467 PolarHBondContact O-N 3.03Å; I437-T532 HydrophobicContact CD1-CG2 3.89Å; I437-T532 HydrophobicContact CG1-CG2 4.29Å; I437-T532 HydrophobicContact CG2-CG2 4.45Å |
| 438 | V | 96.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.4 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | G440 Q441 Q443 I458 I460 T465 L466 | V438-G440 PolarHBondContact O-N 3.44Å; V438-G440 VanDerWaalsContact O-N 3.15Å; V438-Q441 PolarHBondContact N-O 3.36Å; V438-Q441 WeakPolarHBondContact O-CB 3.46Å; V438-Q441 PolarHBondContact O-N 3.06Å; V438-Q443 HydrophobicContact CB-CG 4.05Å; V438-Q443 HydrophobicContact CG2-CG 3.66Å; V438-I458 HydrophobicContact CG2-CD1 4.22Å; V438-I460 HydrophobicContact CG1-CD1 3.98Å; V438-I460 HydrophobicContact CG2-CD1 4.02Å; V438-T465 WeakPolarHBondContact CA-O 3.24Å; V438-L466 HydrophobicContact CG2-CD1 4Å |
| 439 | D | 92.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.7 | -177.9 | -58.7 | -42 | 0 | 0 | 0 | 113.3 | Q441 S464 T465 | D439-Q441 VanDerWaalsContact C-N 3.29Å; D439-Q441 PolarHBondContact O-N 3.24Å; D439-S464 WeakPolarHBondContact OD2-CB 3.09Å; D439-S464 PolarHBondContact OD2-OG 3.33Å; D439-T465 PolarHBondContact N-O 3.4Å; D439-T465 PolarHBondContact OD1-N 2.69Å |
| 440 | G | 89.5 | Confident | 92.7 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I437 V438 T532 | I437-G440 VanDerWaalsContact CG2-CA 3.44Å; V438-G440 PolarHBondContact O-N 3.44Å; V438-G440 VanDerWaalsContact O-N 3.15Å; G440-T532 PolarHBondContact O-OG1 3.29Å |
| 441 | Q | 91.4 | Very high | 91.7 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.6 | 178.5 | -58.9 | -60.1 | -44 | 0 | 0 | 111.7 | I437 V438 D439 Q443 | I437-Q441 CarbonylContact C-O 3.2Å; I437-Q441 WeakPolarHBondContact CA-O 3.42Å; V438-Q441 PolarHBondContact N-O 3.36Å; V438-Q441 WeakPolarHBondContact O-CB 3.46Å; V438-Q441 PolarHBondContact O-N 3.06Å; D439-Q441 VanDerWaalsContact C-N 3.29Å; D439-Q441 PolarHBondContact O-N 3.24Å; Q441-Q443 PolarHBondContact O-N 3.12Å |
| 442 | L | 93.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128 | 175.5 | -172.6 | 75.2 | 0 | 0 | 0 | 110.8 | V436 I437 F531 T532 | V436-L442 WeakPolarHBondContact O-CD1 3.25Å; I437-L442 HydrophobicContact CG1-CD1 4.1Å; L442-F531 WeakPolarHBondContact CB-O 3.48Å; L442-F531 WeakPolarHBondContact CD2-O 3.48Å; L442-F531 WeakPolarHBondContact CG-O 3.39Å; L442-T532 PolarHBondContact N-OG1 2.96Å; L442-T532 VanDerWaalsContact N-OG1 3.16Å |
| 443 | Q | 95.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -30.9 | 171.4 | -59.1 | -63.6 | -60.3 | 0 | 0 | 111.4 | V436 V438 Q441 M456 I458 | V436-Q443 HydrophobicContact CG1-CB 4.25Å; V436-Q443 PolarHBondContact O-N 3.26Å; V438-Q443 HydrophobicContact CB-CG 4.05Å; V438-Q443 HydrophobicContact CG2-CG 3.66Å; Q441-Q443 PolarHBondContact O-N 3.12Å; Q443-M456 HydrophobicContact CB-CE 3.95Å; Q443-M456 WeakPolarHBondContact O-CE 3.42Å; Q443-I458 HydrophobicContact CB-CG2 3.99Å; Q443-I458 HydrophobicContact CG-CB 4.27Å; Q443-I458 HydrophobicContact CG-CG2 4.2Å |
| 444 | G | 95.4 | Very high | 90.6 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -169.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V436 | V436-G444 PolarHBondContact N-O 3.12Å |
| 445 | T | 95.8 | Very high | 90.5 | Very high | 81 Ų | 81 | 67.8 Ų | 67.8 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.6 | -177.4 | 58 | 0 | 0 | 0 | 0 | 111.9 | A434 Y435 | A434-T445 CarbonylContact O-C 3.51Å; A434-T445 VanDerWaalsContact O-CA 3.23Å; A434-T445 WeakPolarHBondContact O-CA 3.23Å; Y435-T445 HydrophobicContact CD1-CG2 3.54Å; Y435-T445 HydrophobicContact CE1-CG2 3.84Å; Y435-T445 HydrophobicContact CG-CG2 4.44Å |
| 446 | L | 96.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.7 | 174.5 | -73.1 | -179.7 | 0 | 0 | 0 | 109.6 | L425 I427 L430 A434 V436 P454 M456 | L425-L446 HydrophobicContact CD2-CD1 4.31Å; I427-L446 HydrophobicContact CD1-CD1 3.75Å; I427-L446 HydrophobicContact CG1-CD1 4.07Å; L430-L446 HydrophobicContact CD2-CB 3.94Å; L430-L446 WeakPolarHBondContact CD2-O 3.23Å; A434-L446 HydrophobicContact CB-CB 4.37Å; A434-L446 PolarHBondContact N-O 3.5Å; A434-L446 PolarHBondContact O-N 2.76Å; V436-L446 HydrophobicContact CG2-CD1 4.15Å; V436-L446 HydrophobicContact CG2-CG 4.33Å; L446-P454 HydrophobicContact CB-CB 3.98Å; L446-P454 HydrophobicContact CD1-CB 4.28Å; L446-P454 HydrophobicContact CD2-CB 4Å; L446-P454 HydrophobicContact CG-CB 4.3Å; L446-M456 HydrophobicContact CD1-CG 4.01Å; L446-M456 HydrophobicContact CD1-SD 4.11Å; L446-M456 HydrophobicContact CD2-CB 4.01Å; L446-M456 HydrophobicContact CD2-CG 4.09Å; L446-M456 HydrophobicContact CD2-SD 4.16Å; L446-M456 HydrophobicContact CG-CG 4.13Å; L446-M456 HydrophobicContact CG-SD 3.81Å |
| 447 | M | 93.2 | Very high | 90.4 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.6 | 174.2 | -172.2 | 176.5 | 169.5 | 0 | 0 | 108.7 | D432 L433 R449 L473 | D432-M447 WeakPolarHBondContact O-CA 3.26Å; D432-M447 WeakPolarHBondContact O-CG 3.47Å; L433-M447 HydrophobicContact CD1-CB 3.97Å; L433-M447 HydrophobicContact CD1-CG 4.42Å; M447-R449 PolarHBondContact O-N 2.04Å; M447-L473 HydrophobicContact CE-CD1 4.24Å |
| 448 | E | 82.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 73.3 Ų | 73.3 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | trans | -54.2 | 134.1 | 175.4 | -167.3 | -173.2 | -166.1 | 0 | 0 | 111.6 | L430 K431 D432 | L430-E448 WeakPolarHBondContact O-CB 3.44Å; K431-E448 VanDerWaalsContact CD-OE2 3.31Å; K431-E448 WeakPolarHBondContact CD-OE2 3.28Å; K431-E448 VanDerWaalsContact CE-CD 3.45Å; K431-E448 WeakPolarHBondContact CE-OE1 3.08Å; K431-E448 VanDerWaalsContact CE-OE2 3.25Å; K431-E448 WeakPolarHBondContact CE-OE2 3.43Å; K431-E448 IonicContact NZ-OE1 3.35Å; K431-E448 PolarHBondContact NZ-OE1 2.91Å; K431-E448 IonicContact NZ-OE2 2.69Å; K431-E448 PolarHBondContact NZ-OE2 3.46Å; D432-E448 PolarHBondContact O-N 3.17Å | ||
| 449 | R | 74.3 | Confident | 90.4 | Very high | 180 Ų | 180 | 78 Ų | 78 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | B | Isolated β-bridge | trans | -123.8 | 137.1 | 173.9 | -63.4 | -178.3 | 180 | -171.1 | -0.7 | 109.5 | M447 K451 | M447-R449 PolarHBondContact O-N 2.04Å; R449-K451 PolarHBondContact O-N 3.21Å |
| 450 | K | 73.8 | Confident | 90.5 | Very high | 221 Ų | 221 | 74.3 Ų | 74.3 | 96% | 0.961 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.1 | -174 | -72.7 | -172.7 | 176.8 | -178.3 | 0 | 115.8 | ||
| 451 | K | 76 | Confident | 90.8 | Very high | 213 Ų | 213 | 76.7 Ų | 76.7 | 93% | 0.926 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -7.3 | -169.1 | -67.5 | -171.4 | 177.9 | -175.9 | 0 | 114.9 | R449 | R449-K451 PolarHBondContact O-N 3.21Š|
| 452 | Q | 83.1 | Confident | 90.8 | Very high | 124 Ų | 124 | 78 Ų | 78 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -151.5 | 136.4 | -174.5 | -168.3 | -179.4 | -2.7 | 0 | 0 | 109.5 | ||
| 453 | E | 87.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | trans | -58.7 | 132.8 | 168.6 | -76.6 | 175.6 | -129.1 | 0 | 0 | 109.9 | K426 S428 S455 | K426-E453 HydrophobicContact CD-CB 4.46Å; K426-E453 WeakPolarHBondContact CD-OE2 3.27Å; K426-E453 VanDerWaalsContact CE-CD 3.4Å; K426-E453 WeakPolarHBondContact CE-OE2 3.43Å; K426-E453 HydrophobicContact CG-CB 4.15Å; K426-E453 WeakPolarHBondContact CG-OE2 3.29Å; K426-E453 IonicContact NZ-OE1 2.9Å; K426-E453 PolarHBondContact NZ-OE1 3.38Å; K426-E453 IonicContact NZ-OE2 2.76Å; K426-E453 PolarHBondContact NZ-OE2 2.92Å; S428-E453 WeakPolarHBondContact CB-OE2 3.4Å; S428-E453 VanDerWaalsContact OG-CD 3.31Å; S428-E453 PolarHBondContact OG-OE2 3.36Å; E453-S455 PolarHBondContact O-N 3.12Å | ||
| 454 | P | 93.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | trans | -62.9 | 131 | 178.4 | 24 | -31.3 | 0 | 0 | 0 | 110.5 | I427 L430 L446 | I427-P454 HydrophobicContact CB-CG 4.5Å; I427-P454 PolarHBondContact N-O 2.66Å; I427-P454 VanDerWaalsContact N-O 3.1Å; I427-P454 WeakPolarHBondContact O-CD 3.21Å; I427-P454 WeakPolarHBondContact O-CG 3.28Å; L430-P454 HydrophobicContact CB-CG 3.95Å; L430-P454 HydrophobicContact CD2-CB 4.49Å; L430-P454 HydrophobicContact CD2-CG 3.9Å; L446-P454 HydrophobicContact CB-CB 3.98Å; L446-P454 HydrophobicContact CD1-CB 4.28Å; L446-P454 HydrophobicContact CD2-CB 4Å; L446-P454 HydrophobicContact CG-CB 4.3Å | ||
| 455 | S | 96.4 | Very high | 90.7 | Very high | 52 Ų | 52 | 79.4 Ų | 79.4 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.8 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | L425 E453 | L425-S455 CarbonylContact O-C 3.6Å; L425-S455 WeakPolarHBondContact O-CA 3.16Å; L425-S455 VanDerWaalsContact O-CB 3.23Å; L425-S455 WeakPolarHBondContact O-CB 3.45Å; E453-S455 PolarHBondContact O-N 3.12Å |
| 456 | M | 97 | Very high | 90.8 | Very high | 33 Ų | 33 | 75.5 Ų | 75.5 | 16% | 0.163 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158.7 | 174.4 | 62.1 | -176.7 | -66.1 | 0 | 0 | 110.9 | L425 V436 Q443 L446 I458 | L425-M456 HydrophobicContact CB-CG 4.35Å; L425-M456 HydrophobicContact CD2-CG 4.4Å; L425-M456 PolarHBondContact N-O 2.81Å; L425-M456 PolarHBondContact O-N 3.33Å; V436-M456 HydrophobicContact CB-SD 3.91Å; V436-M456 HydrophobicContact CG1-SD 4.3Å; V436-M456 HydrophobicContact CG2-SD 3.75Å; Q443-M456 HydrophobicContact CB-CE 3.95Å; Q443-M456 WeakPolarHBondContact O-CE 3.42Å; L446-M456 HydrophobicContact CD1-CG 4.01Å; L446-M456 HydrophobicContact CD1-SD 4.11Å; L446-M456 HydrophobicContact CD2-CB 4.01Å; L446-M456 HydrophobicContact CD2-CG 4.09Å; L446-M456 HydrophobicContact CD2-SD 4.16Å; L446-M456 HydrophobicContact CG-CG 4.13Å; L446-M456 HydrophobicContact CG-SD 3.81Å; M456-I458 HydrophobicContact CE-CG2 4.12Å; M456-I458 HydrophobicContact CG-CG2 3.99Å; M456-I458 HydrophobicContact SD-CG2 4.31Å |
| 457 | D | 98 | Very high | 90.9 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 136.2 | 167.7 | -69.3 | -21.8 | 0 | 0 | 0 | 110.2 | K422 Y423 | K422-D457 WeakPolarHBondContact CE-OD2 3.18Å; K422-D457 IonicContact NZ-OD2 2.71Å; K422-D457 PolarHBondContact NZ-OD2 3.1Å; Y423-D457 CarbonylContact O-C 3.6Å; Y423-D457 WeakPolarHBondContact O-CA 3.33Å |
| 458 | I | 96.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149 | 171.7 | 65.7 | 168.4 | 0 | 0 | 0 | 110.7 | Y423 L425 V436 V438 Q443 M456 I460 L466 L492 | Y423-I458 PolarHBondContact N-O 2.98Å; Y423-I458 PolarHBondContact O-N 3.06Å; L425-I458 HydrophobicContact CB-CD1 4.1Å; L425-I458 HydrophobicContact CB-CG1 4.2Å; L425-I458 HydrophobicContact CB-CG2 4.03Å; L425-I458 HydrophobicContact CD2-CG2 4.2Å; V436-I458 HydrophobicContact CG1-CG2 3.95Å; V438-I458 HydrophobicContact CG2-CD1 4.22Å; Q443-I458 HydrophobicContact CB-CG2 3.99Å; Q443-I458 HydrophobicContact CG-CB 4.27Å; Q443-I458 HydrophobicContact CG-CG2 4.2Å; M456-I458 HydrophobicContact CE-CG2 4.12Å; M456-I458 HydrophobicContact CG-CG2 3.99Å; M456-I458 HydrophobicContact SD-CG2 4.31Å; I458-I460 HydrophobicContact CD1-CD1 3.73Å; I458-I460 HydrophobicContact CD1-CG1 4.13Å; I458-I460 HydrophobicContact CG1-CD1 4.34Å; I458-I460 HydrophobicContact CG1-CG1 4.3Å; I458-L466 HydrophobicContact CD1-CD1 4.16Å; I458-L492 HydrophobicContact CD1-CD2 3.51Å; I458-L492 HydrophobicContact CG1-CD2 4.19Å |
| 459 | Q | 95.5 | Very high | 91.9 | Very high | 104 Ų | 104 | 67.8 Ų | 67.8 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.3 | 172.3 | -168.6 | 66.8 | 23.4 | 0 | 0 | 109.9 | ||
| 460 | I | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.1 | 175.9 | -64.3 | -60.3 | 0 | 0 | 0 | 108.6 | V416 A420 G421 Y423 V438 I458 L492 | V416-I460 HydrophobicContact CB-CG2 4.44Å; V416-I460 HydrophobicContact CG1-CD1 4.44Å; V416-I460 HydrophobicContact CG1-CG1 4.47Å; V416-I460 HydrophobicContact CG1-CG2 3.89Å; V416-I460 HydrophobicContact CG2-CD1 4.12Å; A420-I460 CarbonylContact C-O 3.57Å; A420-I460 VanDerWaalsContact CA-O 3.22Å; A420-I460 WeakPolarHBondContact CA-O 3.33Å; G421-I460 PolarHBondContact N-O 3.12Å; G421-I460 PolarHBondContact O-N 3.49Å; Y423-I460 HydrophobicContact CD2-CB 3.75Å; Y423-I460 HydrophobicContact CD2-CG1 3.65Å; Y423-I460 HydrophobicContact CD2-CG2 4.5Å; Y423-I460 HydrophobicContact CE2-CB 3.88Å; Y423-I460 HydrophobicContact CE2-CG1 4.23Å; Y423-I460 HydrophobicContact CE2-CG2 4.24Å; Y423-I460 HydrophobicContact CG-CG1 4.46Å; V438-I460 HydrophobicContact CG1-CD1 3.98Å; V438-I460 HydrophobicContact CG2-CD1 4.02Å; I458-I460 HydrophobicContact CD1-CD1 3.73Å; I458-I460 HydrophobicContact CD1-CG1 4.13Å; I458-I460 HydrophobicContact CG1-CD1 4.34Å; I458-I460 HydrophobicContact CG1-CG1 4.3Å; I460-L492 HydrophobicContact CG1-CD1 4.44Å |
| 461 | S | 94.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 47% | 0.469 | 25% | 0.25 | S | S | . | . | trans | -101.5 | 164.5 | 164.1 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | N463 S464 | S461-N463 PolarHBondContact O-N 3.23Å; S461-S464 VanDerWaalsContact C-OG 3.29Å; S461-S464 WeakPolarHBondContact CA-OG 3.29Å; S461-S464 PolarHBondContact N-OG 3.47Å; S461-S464 WeakPolarHBondContact O-CB 3.48Å; S461-S464 PolarHBondContact O-N 2.81Å; S461-S464 PolarHBondContact O-OG 3.14Å | ||
| 462 | D | 91.6 | Very high | 95.2 | Very high | 107 Ų | 107 | 38.8 Ų | 38.8 | 57% | 0.572 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 133.9 | 172.1 | -70 | -18.3 | 0 | 0 | 0 | 109.1 | S419 A420 S464 | S419-D462 WeakPolarHBondContact CA-OD1 3.26Å; A420-D462 PolarHBondContact N-OD1 3.11Å; D462-S464 VanDerWaalsContact C-N 3.32Å; D462-S464 PolarHBondContact O-N 2.89Å |
| 463 | N | 89.5 | Confident | 95.9 | Very high | 115 Ų | 115 | 32.9 Ų | 32.9 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 48.7 | 178.1 | -80.7 | -30 | 0 | 0 | 0 | 110.7 | R415 S461 | R415-N463 PolarHBondContact NH1-O 3.28Å; R415-N463 VanDerWaalsContact NH2-CB 3.28Å; R415-N463 PolarHBondContact NH2-O 3.04Å; S461-N463 PolarHBondContact O-N 3.23Å |
| 464 | S | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 152.7 | 171.3 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | R415 V416 D439 S461 D462 | R415-S464 WeakPolarHBondContact CD-O 3.25Å; R415-S464 PolarHBondContact NH1-O 3.01Å; V416-S464 PolarHBondContact N-O 2.69Å; D439-S464 WeakPolarHBondContact OD2-CB 3.09Å; D439-S464 PolarHBondContact OD2-OG 3.33Å; S461-S464 VanDerWaalsContact C-OG 3.29Å; S461-S464 WeakPolarHBondContact CA-OG 3.29Å; S461-S464 PolarHBondContact N-OG 3.47Å; S461-S464 WeakPolarHBondContact O-CB 3.48Å; S461-S464 PolarHBondContact O-N 2.81Å; S461-S464 PolarHBondContact O-OG 3.14Å; D462-S464 VanDerWaalsContact C-N 3.32Å; D462-S464 PolarHBondContact O-N 2.89Å |
| 465 | T | 96.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.1 | 165.7 | -64.2 | 0 | 0 | 0 | 0 | 109.4 | E413 R415 V438 D439 Q467 | E413-T465 HydrophobicContact CG-CG2 3.47Å; E413-T465 VanDerWaalsContact CG-CG2 3.47Å; R415-T465 PolarHBondContact NH1-OG1 3.4Å; V438-T465 WeakPolarHBondContact CA-O 3.24Å; D439-T465 PolarHBondContact N-O 3.4Å; D439-T465 PolarHBondContact OD1-N 2.69Å; T465-Q467 HydrophobicContact CG2-CG 4.06Å |
| 466 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.6 | 170.1 | 177 | 64.4 | 0 | 0 | 0 | 109.4 | E413 A414 V416 L425 V436 V438 I458 I468 V490 L497 W500 | E413-L466 WeakPolarHBondContact CA-O 3.33Å; A414-L466 PolarHBondContact N-O 2.83Å; A414-L466 PolarHBondContact O-N 2.85Å; V416-L466 HydrophobicContact CG2-CB 3.76Å; L425-L466 HydrophobicContact CD1-CD2 4.02Å; V436-L466 HydrophobicContact CG1-CD1 4.01Å; V438-L466 HydrophobicContact CG2-CD1 4Å; I458-L466 HydrophobicContact CD1-CD1 4.16Å; L466-I468 HydrophobicContact CD1-CG1 4.28Å; L466-I468 HydrophobicContact CD2-CD1 4.14Å; L466-I468 HydrophobicContact CD2-CG1 4.44Å; L466-I468 HydrophobicContact CG-CD1 4.37Å; L466-I468 HydrophobicContact CG-CG1 4.13Å; L466-V490 HydrophobicContact CD2-CG1 4.28Å; L466-L497 HydrophobicContact CD2-CD1 3.5Å; L466-W500 HydrophobicContact CD2-CH2 4.21Å |
| 467 | Q | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.6 | -179.8 | -80.1 | 156.2 | -12.1 | 0 | 0 | 108.7 | L411 Y412 E413 I437 T465 | L411-Q467 HydrophobicContact CD1-CB 4.12Å; L411-Q467 HydrophobicContact CD2-CG 4.39Å; Y412-Q467 CarbonylContact O-C 3.53Å; Y412-Q467 WeakPolarHBondContact O-CA 3.25Å; E413-Q467 HydrophobicContact CB-CG 4.37Å; E413-Q467 HydrophobicContact CG-CG 4.09Å; E413-Q467 PolarHBondContact OE2-NE2 2.86Å; I437-Q467 WeakPolarHBondContact CA-O 3.25Å; I437-Q467 HydrophobicContact CB-CB 3.87Å; I437-Q467 WeakPolarHBondContact CB-O 2.95Å; I437-Q467 HydrophobicContact CG2-CB 4.28Å; I437-Q467 PolarHBondContact N-O 2.87Å; I437-Q467 WeakPolarHBondContact O-CA 3.32Å; I437-Q467 PolarHBondContact O-N 3.03Å; T465-Q467 HydrophobicContact CG2-CG 4.06Å |
| 468 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 106.1 | 179.8 | -53.1 | 172.5 | 0 | 0 | 0 | 107.1 | Y412 I427 A434 L466 V470 I486 V490 W500 | Y412-I468 WeakPolarHBondContact CD2-O 3.08Å; Y412-I468 PolarHBondContact N-O 3.44Å; Y412-I468 PolarHBondContact O-N 3.01Å; I427-I468 HydrophobicContact CD1-CD1 3.95Å; I427-I468 HydrophobicContact CD1-CG2 4.02Å; I427-I468 HydrophobicContact CG1-CD1 4.47Å; A434-I468 HydrophobicContact CB-CG2 3.74Å; L466-I468 HydrophobicContact CD1-CG1 4.28Å; L466-I468 HydrophobicContact CD2-CD1 4.14Å; L466-I468 HydrophobicContact CD2-CG1 4.44Å; L466-I468 HydrophobicContact CG-CD1 4.37Å; L466-I468 HydrophobicContact CG-CG1 4.13Å; I468-V470 HydrophobicContact CG2-CG2 3.86Å; I468-I486 HydrophobicContact CB-CD1 4.36Å; I468-I486 HydrophobicContact CD1-CD1 4.17Å; I468-I486 HydrophobicContact CG2-CD1 4.07Å; I468-V490 HydrophobicContact CD1-CG1 3.95Å; I468-V490 HydrophobicContact CD1-CG2 4.13Å; I468-W500 HydrophobicContact CD1-CH2 4.01Å; I468-W500 HydrophobicContact CD1-CZ3 4.32Å |
| 469 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110 | 175.8 | -175.1 | 72.8 | 0 | 0 | 0 | 108.1 | L379 T409 L411 A434 Y435 I505 P533 Y600 | L379-L469 HydrophobicContact CD1-CD1 3.88Å; L379-L469 HydrophobicContact CD1-CD2 3.81Å; L379-L469 HydrophobicContact CD2-CD1 3.88Å; T409-L469 HydrophobicContact CG2-CD1 3.31Å; T409-L469 HydrophobicContact CG2-CD2 4.1Å; T409-L469 HydrophobicContact CG2-CG 3.44Å; T409-L469 VanDerWaalsContact CG2-CG 3.44Å; L411-L469 HydrophobicContact CB-CD1 4.02Å; L411-L469 HydrophobicContact CD1-CB 3.79Å; L411-L469 HydrophobicContact CD1-CD1 3.94Å; A434-L469 CarbonylContact C-O 3.56Å; A434-L469 WeakPolarHBondContact CA-O 3.43Å; Y435-L469 HydrophobicContact CD2-CB 4.39Å; Y435-L469 HydrophobicContact CD2-CD2 4.17Å; Y435-L469 HydrophobicContact CD2-CG 4.43Å; Y435-L469 WeakPolarHBondContact CD2-O 3.21Å; Y435-L469 PolarHBondContact N-O 2.97Å; Y435-L469 PolarHBondContact O-N 3.32Å; L469-I505 HydrophobicContact CD1-CG1 4.23Å; L469-P533 HydrophobicContact CD2-CB 3.8Å; L469-P533 HydrophobicContact CD2-CG 3.8Å; L469-Y600 HydrophobicContact CD2-CD1 4.09Å; L469-Y600 HydrophobicContact CD2-CE1 3.99Å |
| 470 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.1 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | F400 T409 V410 Y412 L430 K431 L433 A434 I468 I486 | F400-V470 HydrophobicContact CE1-CB 4.38Å; F400-V470 HydrophobicContact CE1-CG1 4.26Å; F400-V470 WeakPolarHBondContact CZ-O 3.49Å; T409-V470 VanDerWaalsContact CA-O 3.29Å; T409-V470 WeakPolarHBondContact CA-O 3.36Å; T409-V470 WeakPolarHBondContact CG2-O 3.43Å; V410-V470 PolarHBondContact N-O 3.1Å; V410-V470 PolarHBondContact O-N 2.98Å; Y412-V470 HydrophobicContact CD2-CB 4.35Å; Y412-V470 HydrophobicContact CD2-CG2 3.78Å; Y412-V470 HydrophobicContact CE2-CB 3.91Å; Y412-V470 HydrophobicContact CE2-CG2 3.68Å; L430-V470 HydrophobicContact CD1-CG1 3.97Å; L430-V470 HydrophobicContact CD1-CG2 4Å; K431-V470 WeakPolarHBondContact O-CG1 3.45Å; L433-V470 WeakPolarHBondContact O-CA 3.46Å; A434-V470 HydrophobicContact CB-CG2 4.29Å; I468-V470 HydrophobicContact CG2-CG2 3.86Å; V470-I486 HydrophobicContact CG2-CD1 4.03Å; V470-I486 HydrophobicContact CG2-CG1 3.83Å |
| 471 | E | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.3 | 173.7 | -172.9 | -174.8 | 167.8 | 0 | 0 | 110.5 | D432 L433 Y435 L473 K558 R570 | D432-E471 PolarHBondContact N-O 3.32Å; L433-E471 PolarHBondContact N-O 2.82Å; L433-E471 PolarHBondContact O-N 3.13Å; Y435-E471 HydrophobicContact CE2-CB 4.38Å; Y435-E471 PolarHBondContact OH-OE2 3Å; E471-L473 HydrophobicContact CG-CD2 4.16Å; E471-L473 PolarHBondContact O-N 2.88Å; E471-K558 IonicContact OE1-NZ 3.85Å; E471-K558 PolarHBondContact OE1-NZ 3.45Å; E471-K558 WeakPolarHBondContact OE2-CE 3Å; E471-K558 IonicContact OE2-NZ 3.64Å; E471-K558 PolarHBondContact OE2-NZ 2.98Å; E471-R570 IonicContact OE1-CZ 2.59Å; E471-R570 IonicContact OE1-NE 2.82Å; E471-R570 PolarHBondContact OE1-NE 2.5Å; E471-R570 IonicContact OE1-NH2 2.96Å |
| 472 | N | 97.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | trans | -76.8 | 113.9 | 166.4 | 174.4 | 6.4 | 0 | 0 | 0 | 108.7 | F400 P406 G408 G474 R475 K484 R570 | F400-N472 HydrophobicContact CD2-CB 4.09Å; F400-N472 HydrophobicContact CE2-CB 3.59Å; F400-N472 HydrophobicContact CZ-CB 4.22Å; P406-N472 PolarHBondContact O-ND2 3.48Å; G408-N472 PolarHBondContact O-N 3.21Å; N472-G474 VanDerWaalsContact C-N 3.25Å; N472-G474 PolarHBondContact O-N 3.07Å; N472-G474 WeakPolarHBondContact OD1-CA 3.02Å; N472-G474 PolarHBondContact OD1-N 2.79Å; N472-R475 PolarHBondContact ND2-NH1 2.63Å; N472-K484 HydrophobicContact CB-CB 4.37Å; N472-K484 HydrophobicContact CB-CG 4.35Å; N472-K484 WeakPolarHBondContact OD1-CE 3.39Å; N472-R570 PolarHBondContact O-NH2 3.43Å; N472-R570 VanDerWaalsContact O-NH2 3.11Å | ||
| 473 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -83.3 | -2.8 | -179.6 | -68.6 | -179.5 | 0 | 0 | 0 | 113.7 | I315 P319 D432 L433 M447 E471 R570 W572 | I315-L473 HydrophobicContact CD1-CB 4.03Å; P319-L473 HydrophobicContact CB-CB 4.25Å; P319-L473 HydrophobicContact CG-CB 3.86Å; P319-L473 HydrophobicContact CG-CD1 3.92Å; P319-L473 HydrophobicContact CG-CG 4.45Å; D432-L473 HydrophobicContact CB-CB 3.94Å; D432-L473 HydrophobicContact CB-CD1 3.94Å; D432-L473 HydrophobicContact CB-CG 3.91Å; D432-L473 PolarHBondContact OD2-N 3.2Å; L433-L473 HydrophobicContact CB-CD1 3.89Å; L433-L473 HydrophobicContact CB-CG 4.23Å; M447-L473 HydrophobicContact CE-CD1 4.24Å; E471-L473 HydrophobicContact CG-CD2 4.16Å; E471-L473 PolarHBondContact O-N 2.88Å; L473-R570 VanDerWaalsContact CA-NH2 3.32Å; L473-R570 PolarHBondContact O-NH1 3.23Å; L473-R570 PolarHBondContact O-NH2 3.16Å; L473-W572 HydrophobicContact CD1-CZ3 4.47Å; L473-W572 HydrophobicContact CD2-CZ3 4.37Å | ||
| 474 | G | 97 | Very high | 96 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | trans | 119.8 | 152.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E125 I315 N472 K484 | E125-G474 VanDerWaalsContact OE2-CA 3.22Å; E125-G474 WeakPolarHBondContact OE2-CA 3.47Å; I315-G474 WeakPolarHBondContact CD1-O 3.44Å; I315-G474 WeakPolarHBondContact CG1-O 3.41Å; N472-G474 VanDerWaalsContact C-N 3.25Å; N472-G474 PolarHBondContact O-N 3.07Å; N472-G474 WeakPolarHBondContact OD1-CA 3.02Å; N472-G474 PolarHBondContact OD1-N 2.79Å; G474-K484 WeakPolarHBondContact O-CE 3.3Å; G474-K484 PolarHBondContact O-NZ 2.86Å | ||
| 475 | R | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -86.9 | 151.1 | 172.6 | -73.7 | 175.3 | -177.7 | 87.5 | -0.1 | 111.3 | E125 N126 G314 I315 E401 P406 N472 T477 D482 K484 | E125-R475 WeakPolarHBondContact OE1-CB 3.26Å; E125-R475 VanDerWaalsContact OE1-CD 3.27Å; E125-R475 WeakPolarHBondContact OE1-CD 3.36Å; E125-R475 WeakPolarHBondContact OE1-CG 3.44Å; E125-R475 IonicContact OE1-CZ 2.75Å; E125-R475 IonicContact OE1-NE 2.73Å; E125-R475 IonicContact OE1-NH1 3.7Å; E125-R475 PolarHBondContact OE1-NH1 2.97Å; E125-R475 PolarHBondContact OE2-N 2.88Å; N126-R475 HydrophobicContact CB-CB 3.74Å; N126-R475 HydrophobicContact CB-CG 4.46Å; G314-R475 WeakPolarHBondContact CA-O 3.38Å; I315-R475 PolarHBondContact N-O 2.93Å; E401-R475 IonicContact OE1-CZ 3.85Å; E401-R475 IonicContact OE1-NE 3.37Å; E401-R475 PolarHBondContact OE1-NE 2.81Å; E401-R475 IonicContact OE1-NH2 3.16Å; E401-R475 PolarHBondContact OE1-NH2 3.2Å; P406-R475 PolarHBondContact O-NH1 2.9Å; P406-R475 PolarHBondContact O-NH2 2.98Å; N472-R475 PolarHBondContact ND2-NH1 2.63Å; R475-T477 PolarHBondContact O-N 2.84Å; R475-D482 WeakPolarHBondContact CA-OD2 3.48Å; R475-D482 WeakPolarHBondContact CG-O 3.38Å; R475-K484 HydrophobicContact CG-CD 4.34Å; R475-K484 HydrophobicContact CG-CG 4.03Å | ||
| 476 | Q | 96 | Very high | 96.2 | Very high | 62 Ų | 62 | 17.8 Ų | 17.8 | 29% | 0.29 | 8% | 0.084 | S | C | . | . | B | Isolated β-bridge | trans | -55.4 | 135.6 | 178.4 | -75.3 | -174.8 | -15 | 0 | 0 | 112.7 | I315 F478 D482 | I315-Q476 WeakPolarHBondContact O-CA 3.34Å; Q476-F478 VanDerWaalsContact C-N 3.27Å; Q476-F478 HydrophobicContact CB-CD2 4.36Å; Q476-F478 PolarHBondContact O-N 3.11Å; Q476-D482 HydrophobicContact CB-CB 4.18Å; Q476-D482 HydrophobicContact CG-CB 4.33Å; Q476-D482 WeakPolarHBondContact CG-OD2 2.91Å; Q476-D482 PolarHBondContact N-OD2 3.37Å |
| 477 | T | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 19.8 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | F119 C121 W124 I315 R475 | F119-T477 WeakPolarHBondContact CZ-O 3.29Å; C121-T477 PolarHBondContact SG-O 2.84Å; W124-T477 VanDerWaalsContact O-CG2 3.26Å; W124-T477 WeakPolarHBondContact O-CG2 3.36Å; I315-T477 PolarHBondContact O-N 2.89Å; I315-T477 PolarHBondContact O-OG1 3.34Å; R475-T477 PolarHBondContact O-N 2.84Å |
| 478 | F | 91.7 | Very high | 96 | Very high | 92 Ų | 92 | 22 Ų | 22 | 40% | 0.404 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -5 | -179.3 | -58.2 | -71.3 | 0 | 0 | 0 | 113.7 | R142 Y186 S316 Q476 Y480 | R142-F478 PolarHBondContact NH1-O 3.08Å; R142-F478 VanDerWaalsContact NH1-O 3.12Å; Y186-F478 WeakPolarHBondContact CD2-O 3.18Å; S316-F478 WeakPolarHBondContact O-CE2 3.25Å; Q476-F478 VanDerWaalsContact C-N 3.27Å; Q476-F478 HydrophobicContact CB-CD2 4.36Å; Q476-F478 PolarHBondContact O-N 3.11Å; F478-Y480 HydrophobicContact CB-CD2 3.83Å; F478-Y480 HydrophobicContact CB-CE2 3.83Å |
| 479 | G | 86.7 | Confident | 95.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 84.8 | 15.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L141 Y186 | L141-G479 WeakPolarHBondContact CB-O 2.97Å; Y186-G479 PolarHBondContact OH-O 3.5Å |
| 480 | Y | 91.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 25.7 Ų | 25.7 | 25% | 0.247 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -89.3 | 160.3 | 170.5 | -57.9 | -62 | 0 | 0 | 0 | 111.6 | Y186 K187 F478 D482 | Y186-Y480 HydrophobicContact CD2-CE1 4.08Å; Y186-Y480 AromaticContact CE2-CD1 3.77Å; Y186-Y480 HydrophobicContact CE2-CD1 3.77Å; Y186-Y480 AromaticContact CE2-CE1 3.33Å; Y186-Y480 HydrophobicContact CE2-CE1 3.33Å; Y186-Y480 AromaticContact CE2-CZ 3.8Å; Y186-Y480 AromaticContact CZ-CE1 3.95Å; K187-Y480 HydrophobicContact CD-CE1 3.78Å; K187-Y480 WeakPolarHBondContact CD-OH 3.34Å; K187-Y480 HydrophobicContact CG-CE1 3.98Å; K187-Y480 VanDerWaalsContact CG-OH 3.28Å; K187-Y480 WeakPolarHBondContact CG-OH 3.5Å; K187-Y480 VanDerWaalsContact NZ-CE1 3.25Å; F478-Y480 HydrophobicContact CB-CD2 3.83Å; F478-Y480 HydrophobicContact CB-CE2 3.83Å; Y480-D482 PolarHBondContact O-N 2.83Å; Y480-D482 VanDerWaalsContact O-N 3.15Å |
| 481 | V | 94 | Very high | 95.9 | Very high | 69 Ų | 69 | 26.3 Ų | 26.3 | 42% | 0.418 | 14% | 0.136 | S | C | . | . | trans | -67.3 | 111.2 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | L134 I139 L141 K483 | L134-V481 HydrophobicContact CD2-CB 4.35Å; L134-V481 HydrophobicContact CD2-CG1 4.16Å; L134-V481 HydrophobicContact CD2-CG2 4.3Å; I139-V481 HydrophobicContact CG2-CG2 4.13Å; L141-V481 HydrophobicContact CD1-CG2 4.14Å; L141-V481 HydrophobicContact CG-CG2 4.18Å; V481-K483 HydrophobicContact CG1-CG 4.29Å | ||
| 482 | D | 95.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | trans | -125.3 | 78.4 | 179.5 | -176.4 | 33 | 0 | 0 | 0 | 110.3 | K431 R475 Q476 Y480 K484 | K431-D482 IonicContact NZ-OD1 2.85Å; R475-D482 WeakPolarHBondContact CA-OD2 3.48Å; R475-D482 WeakPolarHBondContact CG-O 3.38Å; Q476-D482 HydrophobicContact CB-CB 4.18Å; Q476-D482 HydrophobicContact CG-CB 4.33Å; Q476-D482 WeakPolarHBondContact CG-OD2 2.91Å; Q476-D482 PolarHBondContact N-OD2 3.37Å; Y480-D482 PolarHBondContact O-N 2.83Å; Y480-D482 VanDerWaalsContact O-N 3.15Å; D482-K484 IonicContact OD1-NZ 3.46Å; D482-K484 PolarHBondContact OD1-NZ 3.45Å; D482-K484 VanDerWaalsContact OD2-CE 3.26Å; D482-K484 WeakPolarHBondContact OD2-CE 3.46Å; D482-K484 IonicContact OD2-NZ 2.7Å; D482-K484 PolarHBondContact OD2-NZ 3.47Å | ||
| 483 | K | 96.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 29.7 Ų | 29.7 | 26% | 0.261 | 16% | 0.16 | S | C | . | . | trans | -67.6 | 147.1 | 175.6 | -71.6 | -174.7 | 175.6 | -177.5 | 0 | 111 | L134 E401 K431 V481 L487 | L134-K483 HydrophobicContact CB-CG 4.25Å; L134-K483 WeakPolarHBondContact O-CE 3.49Å; L134-K483 PolarHBondContact O-NZ 2.9Å; E401-K483 HydrophobicContact CG-CG 4.36Å; E401-K483 WeakPolarHBondContact OE1-CA 3.14Å; E401-K483 WeakPolarHBondContact OE2-CB 3.44Å; K431-K483 WeakPolarHBondContact CB-O 3.49Å; K431-K483 WeakPolarHBondContact CG-O 3.31Å; V481-K483 HydrophobicContact CG1-CG 4.29Å; K483-L487 HydrophobicContact CB-CD1 4.04Å; K483-L487 HydrophobicContact CB-CD2 3.77Å | ||
| 484 | K | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | trans | -110 | 160.8 | -177.4 | -58.1 | -58.1 | -167 | -178.9 | 0 | 113.2 | S399 F400 E401 K431 D432 N472 G474 R475 D482 | S399-K484 CarbonylContact C-O 3.57Å; S399-K484 WeakPolarHBondContact CA-O 3.49Å; S399-K484 VanDerWaalsContact CB-O 3.26Å; S399-K484 WeakPolarHBondContact CB-O 3.4Å; F400-K484 HydrophobicContact CB-CB 3.95Å; F400-K484 HydrophobicContact CD1-CB 4.18Å; F400-K484 HydrophobicContact CD2-CB 4.19Å; F400-K484 HydrophobicContact CG-CB 3.85Å; F400-K484 PolarHBondContact N-O 2.87Å; E401-K484 PolarHBondContact OE1-N 2.84Å; E401-K484 VanDerWaalsContact OE1-N 3.1Å; E401-K484 PolarHBondContact OE2-N 3.07Å; K431-K484 HydrophobicContact CB-CD 4.02Å; D432-K484 VanDerWaalsContact CG-NZ 3.27Å; D432-K484 IonicContact OD1-NZ 3.9Å; D432-K484 PolarHBondContact OD1-NZ 3.26Å; D432-K484 WeakPolarHBondContact OD2-CE 3.25Å; D432-K484 IonicContact OD2-NZ 3.77Å; D432-K484 PolarHBondContact OD2-NZ 2.86Å; N472-K484 HydrophobicContact CB-CB 4.37Å; N472-K484 HydrophobicContact CB-CG 4.35Å; N472-K484 WeakPolarHBondContact OD1-CE 3.39Å; G474-K484 WeakPolarHBondContact O-CE 3.3Å; G474-K484 PolarHBondContact O-NZ 2.86Å; R475-K484 HydrophobicContact CG-CD 4.34Å; R475-K484 HydrophobicContact CG-CG 4.03Å; D482-K484 IonicContact OD1-NZ 3.46Å; D482-K484 PolarHBondContact OD1-NZ 3.45Å; D482-K484 VanDerWaalsContact OD2-CE 3.26Å; D482-K484 WeakPolarHBondContact OD2-CE 3.46Å; D482-K484 IonicContact OD2-NZ 2.7Å; D482-K484 PolarHBondContact OD2-NZ 3.47Å | ||
| 485 | G | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.4 | -144.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F400 Y412 K431 | F400-G485 VanDerWaalsContact CD1-CA 3.44Å; Y412-G485 VanDerWaalsContact OH-CA 3.27Å; Y412-G485 WeakPolarHBondContact OH-CA 3.35Å; K431-G485 PolarHBondContact N-O 2.75Å; K431-G485 WeakPolarHBondContact O-CA 3.4Å; K431-G485 PolarHBondContact O-N 2.93Å |
| 486 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 105.7 | 175.6 | -52.2 | 177.4 | 0 | 0 | 0 | 108.1 | T397 Y412 I427 L430 I468 V470 G488 V490 | T397-I486 WeakPolarHBondContact CB-O 3.29Å; T397-I486 HydrophobicContact CG2-CB 4.03Å; T397-I486 HydrophobicContact CG2-CD1 4.28Å; T397-I486 HydrophobicContact CG2-CG2 3.91Å; T397-I486 PolarHBondContact OG1-O 2.89Å; Y412-I486 HydrophobicContact CD1-CD1 3.99Å; Y412-I486 HydrophobicContact CD1-CG1 4.38Å; Y412-I486 HydrophobicContact CD2-CD1 3.96Å; Y412-I486 HydrophobicContact CD2-CG1 4.31Å; Y412-I486 HydrophobicContact CE1-CB 4.19Å; Y412-I486 HydrophobicContact CE1-CD1 4.31Å; Y412-I486 HydrophobicContact CE1-CG1 4.19Å; Y412-I486 HydrophobicContact CE2-CD1 4.31Å; Y412-I486 HydrophobicContact CE2-CG1 4.15Å; Y412-I486 HydrophobicContact CG-CD1 3.81Å; Y412-I486 HydrophobicContact CG-CG1 4.45Å; Y412-I486 PolarHBondContact OH-N 3.17Å; I427-I486 HydrophobicContact CG2-CD1 4.25Å; I427-I486 HydrophobicContact CG2-CG1 4.21Å; I427-I486 HydrophobicContact CG2-CG2 3.7Å; L430-I486 HydrophobicContact CD1-CG1 4.4Å; I468-I486 HydrophobicContact CB-CD1 4.36Å; I468-I486 HydrophobicContact CD1-CD1 4.17Å; I468-I486 HydrophobicContact CG2-CD1 4.07Å; V470-I486 HydrophobicContact CG2-CD1 4.03Å; V470-I486 HydrophobicContact CG2-CG1 3.83Å; I486-G488 WeakPolarHBondContact CG2-O 3.36Å; I486-V490 HydrophobicContact CD1-CG2 4.07Å; I486-V490 HydrophobicContact CG2-CG2 3.89Å |
| 487 | L | 96.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 42% | 0.424 | 21% | 0.214 | S | C | . | . | trans | -88.8 | -14.7 | -173.4 | -51.8 | -176 | 0 | 0 | 0 | 113.6 | S399 G429 K431 K483 | S399-L487 VanDerWaalsContact CB-CD2 3.44Å; G429-L487 WeakPolarHBondContact O-CB 3.42Å; G429-L487 WeakPolarHBondContact O-CG 3.26Å; G429-L487 PolarHBondContact O-N 3.07Å; K431-L487 HydrophobicContact CG-CD1 4.03Å; K431-L487 HydrophobicContact CG-CG 4.44Å; K483-L487 HydrophobicContact CB-CD1 4.04Å; K483-L487 HydrophobicContact CB-CD2 3.77Å | ||
| 488 | G | 96 | Very high | 95.6 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -124.8 | -163.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | T397 S428 I486 | T397-G488 PolarHBondContact OG1-O 2.85Å; S428-G488 CarbonylContact O-C 3.26Å; S428-G488 WeakPolarHBondContact O-CA 3.46Å; S428-G488 PolarHBondContact O-N 3.39Å; I486-G488 WeakPolarHBondContact CG2-O 3.36Å |
| 489 | N | 97.2 | Very high | 95.9 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | trans | -75.9 | 151.4 | -179.4 | -69.3 | -23.7 | 0 | 0 | 0 | 111.8 | S428 V496 | S428-N489 WeakPolarHBondContact CB-O 3.28Å; S428-N489 PolarHBondContact N-O 3.21Å; S428-N489 PolarHBondContact OG-O 3.11Å; N489-V496 HydrophobicContact CB-CG1 3.92Å; N489-V496 HydrophobicContact CB-CG2 4.22Å | ||
| 490 | V | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.8 | 163.9 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | T397 L425 K426 I427 L466 I468 I486 L497 W500 | T397-V490 HydrophobicContact CG2-CG2 4.06Å; L425-V490 HydrophobicContact CD1-CG1 3.56Å; K426-V490 WeakPolarHBondContact O-CA 3.35Å; I427-V490 HydrophobicContact CG1-CG2 4.46Å; I427-V490 HydrophobicContact CG2-CG2 4.19Å; L466-V490 HydrophobicContact CD2-CG1 4.28Å; I468-V490 HydrophobicContact CD1-CG1 3.95Å; I468-V490 HydrophobicContact CD1-CG2 4.13Å; I486-V490 HydrophobicContact CD1-CG2 4.07Å; I486-V490 HydrophobicContact CG2-CG2 3.89Å; V490-L497 HydrophobicContact CG1-CD1 4.35Å; V490-L497 PolarHBondContact O-N 3.17Å; V490-W500 HydrophobicContact CB-CH2 4.01Å; V490-W500 HydrophobicContact CB-CZ2 3.58Å; V490-W500 HydrophobicContact CG1-CH2 3.91Å; V490-W500 HydrophobicContact CG1-CZ2 3.89Å; V490-W500 HydrophobicContact CG2-CH2 4.12Å; V490-W500 HydrophobicContact CG2-CZ2 3.92Å |
| 491 | S | 97.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | L425 K426 A495 | L425-S491 WeakPolarHBondContact CA-O 3.43Å; K426-S491 PolarHBondContact N-O 2.93Å; K426-S491 PolarHBondContact O-N 3.27Å; S491-A495 CarbonylContact C-O 3.52Å; S491-A495 WeakPolarHBondContact CA-O 3.45Å; S491-A495 VanDerWaalsContact CB-O 3.29Å; S491-A495 WeakPolarHBondContact CB-O 3.46Å |
| 492 | L | 96.9 | Very high | 97 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.5 | 170.8 | -61.7 | -178.5 | 0 | 0 | 0 | 108.4 | V416 F418 Y423 V424 L425 I458 I460 G494 A495 L497 | V416-L492 HydrophobicContact CB-CD1 4.48Å; V416-L492 HydrophobicContact CG1-CD1 3.6Å; V416-L492 HydrophobicContact CG2-CD1 4.02Å; F418-L492 HydrophobicContact CD2-CB 4.14Å; F418-L492 HydrophobicContact CD2-CD1 3.81Å; F418-L492 HydrophobicContact CE2-CB 3.82Å; F418-L492 HydrophobicContact CE2-CD1 3.9Å; F418-L492 HydrophobicContact CE2-CG 4.29Å; Y423-L492 HydrophobicContact CD1-CB 4.19Å; Y423-L492 HydrophobicContact CG-CB 4.37Å; V424-L492 CarbonylContact O-C 3.54Å; V424-L492 WeakPolarHBondContact O-CA 3.47Å; L425-L492 HydrophobicContact CB-CD2 3.95Å; L425-L492 HydrophobicContact CD1-CD2 3.63Å; L425-L492 HydrophobicContact CG-CD2 4.39Å; I458-L492 HydrophobicContact CD1-CD2 3.51Å; I458-L492 HydrophobicContact CG1-CD2 4.19Å; I460-L492 HydrophobicContact CG1-CD1 4.44Å; L492-G494 PolarHBondContact O-N 3.49Å; L492-G494 VanDerWaalsContact O-N 3.09Å; L492-A495 PolarHBondContact N-O 2.72Å; L492-A495 PolarHBondContact O-N 3.15Å; L492-L497 HydrophobicContact CD1-CD1 3.99Å; L492-L497 HydrophobicContact CD1-CD2 4.33Å; L492-L497 HydrophobicContact CD1-CG 4.46Å; L492-L497 HydrophobicContact CG-CD1 4.01Å; L492-L497 HydrophobicContact CG-CG 4.33Å |
| 493 | S | 95.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 40 | -178.5 | -58 | 0 | 0 | 0 | 0 | 113.2 | V424 | V424-S493 PolarHBondContact N-OG 2.87Å; V424-S493 VanDerWaalsContact N-OG 3.13Å; V424-S493 PolarHBondContact O-N 3.31Å |
| 494 | G | 94.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -20.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L492 | L492-G494 PolarHBondContact O-N 3.49Å; L492-G494 VanDerWaalsContact O-N 3.09Å |
| 495 | A | 95.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F418 S491 L492 | F418-A495 HydrophobicContact CE1-CB 4.04Å; F418-A495 HydrophobicContact CE2-CB 4.1Å; F418-A495 HydrophobicContact CZ-CB 3.41Å; F418-A495 VanDerWaalsContact CZ-CB 3.41Å; S491-A495 CarbonylContact C-O 3.52Å; S491-A495 WeakPolarHBondContact CA-O 3.45Å; S491-A495 VanDerWaalsContact CB-O 3.29Å; S491-A495 WeakPolarHBondContact CB-O 3.46Å; L492-A495 PolarHBondContact N-O 2.72Å; L492-A495 PolarHBondContact O-N 3.15Å |
| 496 | V | 97 | Very high | 97.1 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 42% | 0.418 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.1 | -178.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | N489 | N489-V496 HydrophobicContact CB-CG1 3.92Å; N489-V496 HydrophobicContact CB-CG2 4.22Å |
| 497 | L | 97.1 | Very high | 97 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -80 | 141.3 | 174 | -66.7 | -178.2 | 0 | 0 | 0 | 111 | F418 L466 V490 L492 W500 | F418-L497 HydrophobicContact CE2-CD2 3.77Å; F418-L497 HydrophobicContact CZ-CD2 4.16Å; L466-L497 HydrophobicContact CD2-CD1 3.5Å; V490-L497 HydrophobicContact CG1-CD1 4.35Å; V490-L497 PolarHBondContact O-N 3.17Å; L492-L497 HydrophobicContact CD1-CD1 3.99Å; L492-L497 HydrophobicContact CD1-CD2 4.33Å; L492-L497 HydrophobicContact CD1-CG 4.46Å; L492-L497 HydrophobicContact CG-CD1 4.01Å; L492-L497 HydrophobicContact CG-CG 4.33Å; L497-W500 HydrophobicContact CB-CZ2 3.7Å; L497-W500 HydrophobicContact CD1-CH2 4.34Å; L497-W500 HydrophobicContact CD1-CZ2 4.22Å; L497-W500 PolarHBondContact O-NE1 3.35Å; L497-W500 VanDerWaalsContact O-NE1 3.1Å |
| 498 | T | 97 | Very high | 96.9 | Very high | 83 Ų | 83 | 34.2 Ų | 34.2 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | trans | -133.1 | 173.1 | -178.1 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | K395 | K395-T498 WeakPolarHBondContact O-CA 3.21Å; K395-T498 WeakPolarHBondContact O-CB 3.38Å | ||
| 499 | T | 96.7 | Very high | 96.7 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | trans | 63.1 | 66 | 178.3 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | S394 K395 | S394-T499 CarbonylContact O-C 3.53Å; S394-T499 WeakPolarHBondContact O-CA 3.33Å; K395-T499 PolarHBondContact O-N 2.67Å; K395-T499 VanDerWaalsContact O-N 3.15Å | ||
| 500 | W | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.7 | -178 | -70 | 90.1 | 0 | 0 | 0 | 111.9 | I393 S394 T397 E413 A414 L466 I468 V490 L497 | I393-W500 WeakPolarHBondContact CA-O 3.33Å; S394-W500 PolarHBondContact N-O 3.37Å; S394-W500 PolarHBondContact O-N 3.24Å; T397-W500 HydrophobicContact CG2-CD2 3.79Å; T397-W500 HydrophobicContact CG2-CE3 4.38Å; T397-W500 HydrophobicContact CG2-CG 3.98Å; T397-W500 HydrophobicContact CG2-CZ2 4.3Å; E413-W500 WeakPolarHBondContact O-CA 3.45Å; A414-W500 HydrophobicContact CB-CD2 3.89Å; A414-W500 HydrophobicContact CB-CE3 3.67Å; A414-W500 HydrophobicContact CB-CH2 3.74Å; A414-W500 HydrophobicContact CB-CZ2 3.91Å; A414-W500 HydrophobicContact CB-CZ3 3.62Å; L466-W500 HydrophobicContact CD2-CH2 4.21Å; I468-W500 HydrophobicContact CD1-CH2 4.01Å; I468-W500 HydrophobicContact CD1-CZ3 4.32Å; V490-W500 HydrophobicContact CB-CH2 4.01Å; V490-W500 HydrophobicContact CB-CZ2 3.58Å; V490-W500 HydrophobicContact CG1-CH2 3.91Å; V490-W500 HydrophobicContact CG1-CZ2 3.89Å; V490-W500 HydrophobicContact CG2-CH2 4.12Å; V490-W500 HydrophobicContact CG2-CZ2 3.92Å; L497-W500 HydrophobicContact CB-CZ2 3.7Å; L497-W500 HydrophobicContact CD1-CH2 4.34Å; L497-W500 HydrophobicContact CD1-CZ2 4.22Å; L497-W500 PolarHBondContact O-NE1 3.35Å; L497-W500 VanDerWaalsContact O-NE1 3.1Å |
| 501 | I | 98.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 18% | 0.179 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.9 | 167.3 | -50.8 | 177.7 | 0 | 0 | 0 | 107.9 | R391 I393 E413 Y503 | R391-I501 HydrophobicContact CB-CG2 3.88Å; R391-I501 HydrophobicContact CG-CG2 4.23Å; I393-I501 HydrophobicContact CG1-CG1 4.36Å; E413-I501 HydrophobicContact CB-CB 4.31Å; E413-I501 PolarHBondContact N-O 3.26Å; E413-I501 PolarHBondContact O-N 3.19Å; I501-Y503 HydrophobicContact CB-CE2 4.16Å; I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE1 4.29Å; I501-Y503 HydrophobicContact CG2-CE2 3.65Å |
| 502 | H | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.6 | -178.3 | -50.7 | 75.1 | 0 | 0 | 0 | 110.1 | V392 Q398 L403 V410 L411 Y412 | V392-H502 HydrophobicContact CB-CB 4.28Å; V392-H502 PolarHBondContact N-O 3.1Å; V392-H502 PolarHBondContact O-N 2.8Å; V392-H502 PolarHBondContact O-ND1 3.3Å; Q398-H502 PolarHBondContact N-NE2 2.74Å; Q398-H502 VanDerWaalsContact N-NE2 3.14Å; L403-H502 HydrophobicContact CD1-CB 3.97Å; L403-H502 HydrophobicContact CD2-CB 3.8Å; V410-H502 HydrophobicContact CG1-CB 4.47Å; L411-H502 WeakPolarHBondContact O-CA 3.41Å; Y412-H502 AromaticContact CD1-CD2 3.34Å; Y412-H502 WeakPolarHBondContact CD1-CD2 3.48Å; Y412-H502 AromaticContact CD1-NE2 3.58Å; Y412-H502 AromaticContact CE1-CD2 3.36Å; Y412-H502 WeakPolarHBondContact CE1-CD2 3.37Å; Y412-H502 AromaticContact CE1-NE2 3.67Å |
| 503 | Y | 98.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.1 | 175.8 | -53.3 | -96.2 | 0 | 0 | 0 | 109.7 | L383 R391 V410 L411 E413 I501 | L383-Y503 HydrophobicContact CD1-CE1 4.5Å; L383-Y503 HydrophobicContact CD1-CE2 4.49Å; L383-Y503 HydrophobicContact CD2-CD1 4.31Å; L383-Y503 HydrophobicContact CD2-CG 4.11Å; R391-Y503 HydrophobicContact CB-CE1 4.41Å; V410-Y503 WeakPolarHBondContact CA-O 3.31Å; V410-Y503 WeakPolarHBondContact CG1-O 2.73Å; L411-Y503 HydrophobicContact CB-CD2 4.21Å; L411-Y503 HydrophobicContact CD2-CD2 3.99Å; L411-Y503 HydrophobicContact CD2-CE2 4.44Å; L411-Y503 HydrophobicContact CG-CD2 4.34Å; L411-Y503 PolarHBondContact N-O 3.23Å; L411-Y503 PolarHBondContact O-N 3.33Å; E413-Y503 HydrophobicContact CB-CE2 3.82Å; E413-Y503 PolarHBondContact OE1-OH 3.07Å; I501-Y503 HydrophobicContact CB-CE2 4.16Å; I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE1 4.29Å; I501-Y503 HydrophobicContact CG2-CE2 3.65Å |
| 504 | R | 97.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.6 | 179.3 | -72.7 | 171.2 | -72.9 | -167.3 | -0.3 | 107.9 | S387 M389 K390 L403 W405 S506 | S387-R504 WeakPolarHBondContact CA-O 3.2Å; M389-R504 HydrophobicContact SD-CB 4.47Å; K390-R504 PolarHBondContact O-NH2 3.03Å; L403-R504 WeakPolarHBondContact O-CD 3.41Å; L403-R504 PolarHBondContact O-NH1 3.44Å; W405-R504 HydrophobicContact CB-CG 3.87Å; W405-R504 HydrophobicContact CD2-CB 3.59Å; W405-R504 HydrophobicContact CD2-CG 3.77Å; W405-R504 HydrophobicContact CE3-CB 3.78Å; W405-R504 HydrophobicContact CE3-CG 4.01Å; W405-R504 HydrophobicContact CG-CB 4Å; W405-R504 HydrophobicContact CG-CG 3.7Å; W405-R504 HydrophobicContact CH2-CB 4.46Å; W405-R504 HydrophobicContact CZ2-CB 4.31Å; W405-R504 HydrophobicContact CZ3-CB 4.21Å; R504-S506 PolarHBondContact O-N 3.26Å |
| 505 | I | 97.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.046 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.9 | -168.6 | -51.3 | -55.7 | 0 | 0 | 0 | 110.1 | L379 L383 V386 W405 T409 L411 L469 I507 | L379-I505 HydrophobicContact CD1-CG2 3.97Å; L379-I505 HydrophobicContact CD2-CD1 4.1Å; L383-I505 HydrophobicContact CD2-CD1 3.77Å; V386-I505 HydrophobicContact CB-CG2 4.22Å; V386-I505 HydrophobicContact CG2-CD1 4.23Å; V386-I505 HydrophobicContact CG2-CG2 4.13Å; V386-I505 CarbonylContact O-C 3.57Å; V386-I505 WeakPolarHBondContact O-CA 3.29Å; W405-I505 VanDerWaalsContact CZ2-O 3.29Å; W405-I505 WeakPolarHBondContact CZ2-O 3.47Å; T409-I505 WeakPolarHBondContact O-CB 3.49Å; T409-I505 PolarHBondContact O-N 3.28Å; L411-I505 HydrophobicContact CB-CD1 4.26Å; L469-I505 HydrophobicContact CD1-CG1 4.23Å; I505-I507 HydrophobicContact CG2-CD1 4.14Å |
| 506 | S | 96.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | trans | -115.9 | 109.5 | 171 | 179.9 | 0 | 0 | 0 | 0 | 110 | V386 R504 E508 A509 | V386-S506 PolarHBondContact O-N 3.22Å; R504-S506 PolarHBondContact O-N 3.26Å; S506-E508 VanDerWaalsContact C-N 3.3Å; S506-E508 PolarHBondContact OG-OE2 3.43Å; S506-A509 WeakPolarHBondContact O-CB 3.39Å | ||
| 507 | I | 96 | Very high | 92.6 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -73.9 | -28.1 | 176 | -60.7 | -59.6 | 0 | 0 | 0 | 110.8 | V386 I505 A509 L510 I535 Y562 I596 L598 | V386-I507 HydrophobicContact CG1-CD1 4.12Å; I505-I507 HydrophobicContact CG2-CD1 4.14Å; I507-A509 PolarHBondContact O-N 3.47Å; I507-A509 VanDerWaalsContact O-N 3.17Å; I507-L510 WeakPolarHBondContact O-CB 3.26Å; I507-L510 PolarHBondContact O-N 2.99Å; I507-I535 HydrophobicContact CD1-CD1 3.67Å; I507-I535 HydrophobicContact CD1-CG1 4.28Å; I507-Y562 HydrophobicContact CB-CD2 4.06Å; I507-Y562 HydrophobicContact CB-CE1 4.45Å; I507-Y562 HydrophobicContact CB-CE2 3.6Å; I507-Y562 HydrophobicContact CG1-CE2 3.97Å; I507-Y562 HydrophobicContact CG2-CD2 3.57Å; I507-Y562 HydrophobicContact CG2-CE2 3.64Å; I507-Y562 HydrophobicContact CG2-CG 4.16Å; I507-I596 HydrophobicContact CG2-CB 4.27Å; I507-I596 HydrophobicContact CG2-CG2 3.5Å; I507-I596 VanDerWaalsContact CG2-CG2 3.5Å; I507-L598 HydrophobicContact CD1-CB 4.17Å; I507-L598 HydrophobicContact CD1-CD2 4.09Å; I507-L598 HydrophobicContact CG1-CB 4.18Å; I507-L598 HydrophobicContact CG1-CD2 4.16Å |
| 508 | E | 94 | Very high | 91.7 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -56.9 | -31 | 176.5 | -57.8 | 87.3 | 165.4 | 0 | 0 | 112 | S506 L510 F511 Y562 | S506-E508 VanDerWaalsContact C-N 3.3Å; S506-E508 PolarHBondContact OG-OE2 3.43Å; E508-L510 PolarHBondContact O-N 2.73Å; E508-L510 VanDerWaalsContact O-N 3.17Å; E508-F511 PolarHBondContact O-N 2.54Å; E508-F511 VanDerWaalsContact O-N 3.07Å; E508-Y562 HydrophobicContact CG-CD1 4.12Å; E508-Y562 HydrophobicContact CG-CE1 3.89Å; E508-Y562 WeakPolarHBondContact OE1-CE1 3.45Å |
| 509 | A | 93 | Very high | 90.4 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -57.6 | -28.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F385 P388 S506 I507 F511 N512 T513 | F385-A509 WeakPolarHBondContact O-CB 3.45Å; P388-A509 HydrophobicContact CG-CB 3.95Å; S506-A509 WeakPolarHBondContact O-CB 3.39Å; I507-A509 PolarHBondContact O-N 3.47Å; I507-A509 VanDerWaalsContact O-N 3.17Å; A509-F511 VanDerWaalsContact C-N 3.3Å; A509-F511 PolarHBondContact O-N 3.05Å; A509-N512 PolarHBondContact O-N 2.83Å; A509-T513 PolarHBondContact O-OG1 2.97Å; A509-T513 VanDerWaalsContact O-OG1 3.14Å |
| 510 | L | 94.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -71.2 | -22.3 | 178.4 | -69.2 | 173.4 | 0 | 0 | 0 | 113.4 | L376 F385 V386 I507 E508 N512 T513 I518 I535 I596 | L376-L510 HydrophobicContact CD1-CD1 4.47Å; F385-L510 HydrophobicContact CB-CD2 3.66Å; V386-L510 HydrophobicContact CG1-CD1 3.7Å; V386-L510 HydrophobicContact CG1-CD2 4.16Å; V386-L510 HydrophobicContact CG1-CG 3.86Å; I507-L510 WeakPolarHBondContact O-CB 3.26Å; I507-L510 PolarHBondContact O-N 2.99Å; E508-L510 PolarHBondContact O-N 2.73Å; E508-L510 VanDerWaalsContact O-N 3.17Å; L510-N512 PolarHBondContact O-N 2.81Å; L510-T513 PolarHBondContact O-N 2.84Å; L510-T513 VanDerWaalsContact O-N 3.15Å; L510-I518 HydrophobicContact CD2-CD1 4Å; L510-I535 HydrophobicContact CD1-CD1 3.85Å; L510-I535 HydrophobicContact CD1-CG2 3.81Å; L510-I596 HydrophobicContact CB-CD1 3.61Å; L510-I596 HydrophobicContact CD1-CG2 4.32Å |
| 511 | F | 93.2 | Very high | 86.9 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -66.1 | -25.9 | 175.3 | -77.1 | -88.2 | 0 | 0 | 0 | 112.3 | E508 A509 Y562 R594 I596 | E508-F511 PolarHBondContact O-N 2.54Å; E508-F511 VanDerWaalsContact O-N 3.07Å; A509-F511 VanDerWaalsContact C-N 3.3Å; A509-F511 PolarHBondContact O-N 3.05Å; F511-Y562 HydrophobicContact CE2-CG 4.48Å; F511-R594 HydrophobicContact CD1-CB 4.27Å; F511-R594 HydrophobicContact CD1-CG 4.08Å; F511-R594 HydrophobicContact CE1-CB 3.84Å; F511-R594 HydrophobicContact CE1-CG 3.67Å; F511-R594 WeakPolarHBondContact CE1-O 3.4Å; F511-R594 HydrophobicContact CZ-CG 4.5Å; F511-I596 HydrophobicContact CD1-CD1 4.34Å; F511-I596 HydrophobicContact CD2-CD1 3.73Å; F511-I596 HydrophobicContact CD2-CG1 4.47Å; F511-I596 HydrophobicContact CE1-CD1 4.22Å; F511-I596 HydrophobicContact CE1-CG1 4.2Å; F511-I596 HydrophobicContact CE2-CB 4.08Å; F511-I596 HydrophobicContact CE2-CD1 3.6Å; F511-I596 HydrophobicContact CE2-CG1 3.86Å; F511-I596 HydrophobicContact CG-CD1 4.11Å; F511-I596 HydrophobicContact CZ-CB 4.09Å; F511-I596 HydrophobicContact CZ-CD1 3.86Å; F511-I596 HydrophobicContact CZ-CG1 3.7Å |
| 512 | N | 87.9 | Confident | 84.8 | Confident | 154 Ų | 154 | 48 Ų | 48 | 82% | 0.824 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -93.7 | 2.4 | 177.2 | -61.4 | -35.7 | 0 | 0 | 0 | 113.1 | A509 L510 | A509-N512 PolarHBondContact O-N 2.83Å; L510-N512 PolarHBondContact O-N 2.81Å |
| 513 | T | 86.3 | Confident | 82.7 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -104 | 121.8 | -177.7 | -58 | 0 | 0 | 0 | 0 | 109.7 | F385 A509 L510 Y515 I518 | F385-T513 HydrophobicContact CD1-CG2 3.75Å; F385-T513 HydrophobicContact CE1-CG2 4.2Å; A509-T513 PolarHBondContact O-OG1 2.97Å; A509-T513 VanDerWaalsContact O-OG1 3.14Å; L510-T513 PolarHBondContact O-N 2.84Å; L510-T513 VanDerWaalsContact O-N 3.15Å; T513-Y515 PolarHBondContact O-N 3.43Å; T513-I518 HydrophobicContact CG2-CD1 4.24Å; T513-I518 HydrophobicContact CG2-CG1 3.98Å |
| 514 | A | 83.2 | Confident | 80.2 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | trans | -67.6 | 134.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | S516 Y517 | A514-S516 PolarHBondContact O-N 3.05Å; A514-S516 VanDerWaalsContact O-N 3.09Å; A514-Y517 HydrophobicContact CB-CD2 3.66Å; A514-Y517 HydrophobicContact CB-CE2 3.81Å; A514-Y517 WeakPolarHBondContact O-CB 3.33Å; A514-Y517 PolarHBondContact O-N 2.05Å | ||
| 515 | Y | 81.3 | Confident | 77.8 | Confident | 40 Ų | 40 | 57 Ų | 57 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -59.2 | -25.8 | -178.3 | -63.9 | -53.3 | 0 | 0 | 0 | 113.6 | R374 L376 T513 Y517 I518 T537 D539 R594 | R374-Y515 VanDerWaalsContact NH2-CE2 3.32Å; R374-Y515 VanDerWaalsContact NH2-CG 3.29Å; L376-Y515 HydrophobicContact CD1-CE1 4.05Å; L376-Y515 HydrophobicContact CD2-CD1 3.84Å; L376-Y515 HydrophobicContact CD2-CE1 3.9Å; T513-Y515 PolarHBondContact O-N 3.43Å; Y515-Y517 PolarHBondContact O-N 3.47Å; Y515-I518 HydrophobicContact CD1-CD1 4.13Å; Y515-I518 WeakPolarHBondContact O-CB 3.16Å; Y515-I518 PolarHBondContact O-N 3.12Å; Y515-T537 HydrophobicContact CE1-CG2 3.75Å; Y515-T537 WeakPolarHBondContact OH-CG2 3.1Å; Y515-T537 PolarHBondContact OH-OG1 3.05Å; Y515-D539 VanDerWaalsContact CE2-OD2 3.31Å; Y515-D539 WeakPolarHBondContact CE2-OD2 3.33Å; Y515-R594 VanDerWaalsContact CE2-NH2 3.27Å; Y515-R594 WeakPolarHBondContact OH-CD 3.48Å; Y515-R594 PolarHBondContact OH-NE 2.77Å |
| 516 | S | 79.4 | Confident | 75.3 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 72% | 0.72 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.2 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | A514 | A514-S516 PolarHBondContact O-N 3.05Å; A514-S516 VanDerWaalsContact O-N 3.09Å |
| 517 | Y | 79.1 | Confident | 73.1 | Confident | 169 Ų | 169 | 66.2 Ų | 66.2 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -84.3 | -15.9 | 174.3 | -62.2 | -58.3 | 0 | 0 | 0 | 113 | F385 A514 Y515 P519 | F385-Y517 WeakPolarHBondContact CZ-O 3.4Å; A514-Y517 HydrophobicContact CB-CD2 3.66Å; A514-Y517 HydrophobicContact CB-CE2 3.81Å; A514-Y517 WeakPolarHBondContact O-CB 3.33Å; A514-Y517 PolarHBondContact O-N 2.05Å; Y515-Y517 PolarHBondContact O-N 3.47Å; Y517-P519 WeakPolarHBondContact O-CD 3.09Å |
| 518 | I | 78.3 | Confident | 71.1 | Confident | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.087 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -85.8 | 116.4 | 178.1 | -55.8 | -174.9 | 0 | 0 | 0 | 107.3 | L376 L382 F385 L510 T513 Y515 | L376-I518 HydrophobicContact CD1-CD1 4.24Å; L376-I518 HydrophobicContact CD2-CD1 4.4Å; L382-I518 HydrophobicContact CD2-CG2 3.51Å; F385-I518 HydrophobicContact CD1-CG1 4.46Å; F385-I518 HydrophobicContact CE1-CG1 4.43Å; L510-I518 HydrophobicContact CD2-CD1 4Å; T513-I518 HydrophobicContact CG2-CD1 4.24Å; T513-I518 HydrophobicContact CG2-CG1 3.98Å; Y515-I518 HydrophobicContact CD1-CD1 4.13Å; Y515-I518 WeakPolarHBondContact O-CB 3.16Å; Y515-I518 PolarHBondContact O-N 3.12Å |
| 519 | P | 70.2 | Confident | 69.7 | Low | 75 Ų | 75 | 70.6 Ų | 70.6 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | trans | -55.3 | 144.6 | 176 | -23.9 | 34.8 | 0 | 0 | 0 | 110.1 | Y517 T521 | Y517-P519 WeakPolarHBondContact O-CD 3.09Å; P519-T521 HydrophobicContact CB-CG2 3.94Å; P519-T521 PolarHBondContact O-N 3.41Å; P519-T521 PolarHBondContact O-OG1 2.8Å | ||
| 520 | A | 64 | Low | 68.8 | Low | 96 Ų | 96 | 73.1 Ų | 73.1 | 79% | 0.793 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -70.3 | 73.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 521 | T | 57.7 | Low | 68.4 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.362 | 43% | 0.432 | S | S | . | . | trans | -97.8 | 7.2 | 176.5 | 52 | 0 | 0 | 0 | 0 | 112 | L376 P519 R523 | L376-T521 PolarHBondContact O-OG1 2.86Å; P519-T521 HydrophobicContact CB-CG2 3.94Å; P519-T521 PolarHBondContact O-N 3.41Å; P519-T521 PolarHBondContact O-OG1 2.8Å; T521-R523 PolarHBondContact O-N 3.15Å | ||
| 522 | G | 54.8 | Low | 68.3 | Low | 21 Ų | 21 | 72.8 Ų | 72.8 | 22% | 0.216 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -41.5 | 133.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | K524 | G522-K524 PolarHBondContact O-N 2.84Š|
| 523 | R | 54.3 | Low | 68.6 | Low | 31 Ų | 31 | 65.5 Ų | 65.5 | 12% | 0.117 | 39% | 0.387 | C | S | . | . | trans | -39.3 | 100.7 | -170.5 | -95.9 | -174 | 168.5 | 176.6 | -2.7 | 111.2 | T521 G525 F531 E611 T612 | T521-R523 PolarHBondContact O-N 3.15Å; R523-G525 PolarHBondContact O-N 3.43Å; R523-F531 VanDerWaalsContact NH2-CD2 3.27Å; R523-E611 IonicContact CZ-OE2 3.86Å; R523-E611 IonicContact NH1-OE2 2.66Å; R523-E611 PolarHBondContact NH1-OE2 2.9Å; R523-T612 HydrophobicContact CB-CG2 4.34Å | ||
| 524 | K | 46 | Very low | 69 | Low | 190 Ų | 190 | 64.2 Ų | 64.2 | 83% | 0.826 | 38% | 0.38 | S | S | * | . | trans | -84.4 | 11.3 | 164.4 | -68.2 | -172.6 | 178.8 | -179.5 | 0 | 110.7 | G522 | G522-K524 PolarHBondContact O-N 2.84Š| ||
| 525 | G | 46.7 | Very low | 69.5 | Low | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | trans | -69.2 | 135.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R523 H610 | R523-G525 PolarHBondContact O-N 3.43Å; G525-H610 PolarHBondContact O-ND1 2.97Å | ||
| 526 | L | 45.2 | Very low | 70.2 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 67% | 0.665 | 36% | 0.355 | S | S | * | . | trans | -53.4 | 150.1 | 165.3 | -75.1 | 126.4 | 0 | 0 | 0 | 109.8 | S528 T529 | L526-S528 PolarHBondContact O-N 2.91Å; L526-T529 PolarHBondContact O-N 2.98Å; L526-T529 VanDerWaalsContact O-N 3.13Å; L526-T529 PolarHBondContact O-OG1 2.79Å | ||
| 527 | P | 50.8 | Low | 70.9 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 62% | 0.623 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -13.2 | 177.9 | -26.1 | 33 | 0 | 0 | 0 | 115.7 | ||
| 528 | S | 53.2 | Low | 71.6 | Confident | 102 Ų | 102 | 47.6 Ų | 47.6 | 71% | 0.713 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.3 | -178.5 | 59.7 | 0 | 0 | 0 | 0 | 115.4 | L526 | L526-S528 PolarHBondContact O-N 2.91Š|
| 529 | T | 64.4 | Low | 72.4 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.3 | 128.1 | 178.9 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | L526 | L526-T529 PolarHBondContact O-N 2.98Å; L526-T529 VanDerWaalsContact O-N 3.13Å; L526-T529 PolarHBondContact O-OG1 2.79Å |
| 530 | P | 75.3 | Confident | 73.7 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 154.1 | 176.3 | -25.8 | 34.1 | 0 | 0 | 0 | 113.2 | T532 | P530-T532 PolarHBondContact O-N 3Š|
| 531 | F | 85 | Confident | 75.2 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 133.5 | 176.3 | -173 | -82.3 | 0 | 0 | 0 | 113 | L442 R523 E599 E601 P603 | L442-F531 WeakPolarHBondContact CB-O 3.48Å; L442-F531 WeakPolarHBondContact CD2-O 3.48Å; L442-F531 WeakPolarHBondContact CG-O 3.39Å; R523-F531 VanDerWaalsContact NH2-CD2 3.27Å; F531-E599 HydrophobicContact CE1-CG 4.15Å; F531-E599 HydrophobicContact CE2-CG 4.46Å; F531-E599 HydrophobicContact CZ-CB 4.16Å; F531-E599 HydrophobicContact CZ-CG 3.65Å; F531-E601 VanDerWaalsContact CB-O 3.31Å; F531-E601 WeakPolarHBondContact CB-O 3.32Å; F531-E601 WeakPolarHBondContact CD1-O 3.48Å; F531-E601 WeakPolarHBondContact CE1-O 3.36Å; F531-E601 WeakPolarHBondContact CG-O 3.46Å; F531-P603 HydrophobicContact CE2-CG 4Å |
| 532 | T | 90.7 | Very high | 77.1 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | trans | -122.8 | 142.5 | 173.7 | -60.1 | 0 | 0 | 0 | 0 | 107.8 | I437 G440 L442 P530 T534 | I437-T532 HydrophobicContact CD1-CG2 3.89Å; I437-T532 HydrophobicContact CG1-CG2 4.29Å; I437-T532 HydrophobicContact CG2-CG2 4.45Å; G440-T532 PolarHBondContact O-OG1 3.29Å; L442-T532 PolarHBondContact N-OG1 2.96Å; L442-T532 VanDerWaalsContact N-OG1 3.16Å; P530-T532 PolarHBondContact O-N 3Å; T532-T534 PolarHBondContact O-N 2.91Å; T532-T534 VanDerWaalsContact O-N 3.11Å; T532-T534 PolarHBondContact O-OG1 2.65Å | ||
| 533 | P | 95.1 | Very high | 78.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -41.8 | 120.4 | 177 | -33.5 | 35.8 | 0 | 0 | 0 | 113 | T378 L379 Y435 L469 L598 E599 Y600 | T378-P533 WeakPolarHBondContact CA-O 3.42Å; L379-P533 HydrophobicContact CB-CB 4.44Å; L379-P533 PolarHBondContact N-O 3.43Å; Y435-P533 HydrophobicContact CD1-CG 4.29Å; Y435-P533 HydrophobicContact CG-CG 4.07Å; L469-P533 HydrophobicContact CD2-CB 3.8Å; L469-P533 HydrophobicContact CD2-CG 3.8Å; P533-L598 HydrophobicContact CB-CD1 4.47Å; P533-E599 CarbonylContact C-O 3.38Å; P533-E599 VanDerWaalsContact CA-O 3.26Å; P533-E599 WeakPolarHBondContact CA-O 3.33Å; P533-Y600 HydrophobicContact CB-CD1 4.29Å; P533-Y600 HydrophobicContact CG-CD1 4.38Å | ||
| 534 | T | 94 | Very high | 80.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.6 | -166.3 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | S375 G377 T532 Y536 E599 | S375-T534 VanDerWaalsContact OG-CG2 3.3Å; S375-T534 WeakPolarHBondContact OG-CG2 3.3Å; G377-T534 WeakPolarHBondContact O-CG2 3.26Å; T532-T534 PolarHBondContact O-N 2.91Å; T532-T534 VanDerWaalsContact O-N 3.11Å; T532-T534 PolarHBondContact O-OG1 2.65Å; T534-Y536 HydrophobicContact CG2-CD2 4.16Å; T534-Y536 HydrophobicContact CG2-CE1 4.39Å; T534-Y536 HydrophobicContact CG2-CE2 3.49Å; T534-Y536 VanDerWaalsContact CG2-CE2 3.49Å; T534-E599 PolarHBondContact N-O 2.92Å; T534-E599 PolarHBondContact O-N 2.93Å |
| 535 | I | 94.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.4 | 179.8 | -57.4 | 179 | 0 | 0 | 0 | 109 | L376 G377 L382 V386 I507 L510 I596 I597 L598 | L376-I535 HydrophobicContact CB-CB 4.5Å; L376-I535 HydrophobicContact CB-CG2 4.46Å; L376-I535 HydrophobicContact CD1-CG2 4.07Å; L376-I535 PolarHBondContact N-O 3.11Å; G377-I535 PolarHBondContact O-N 3.01Å; L382-I535 HydrophobicContact CB-CD1 4.49Å; L382-I535 HydrophobicContact CD1-CB 4.07Å; L382-I535 HydrophobicContact CD1-CD1 3.94Å; L382-I535 HydrophobicContact CD1-CG1 4.35Å; V386-I535 HydrophobicContact CG1-CD1 3.58Å; I507-I535 HydrophobicContact CD1-CD1 3.67Å; I507-I535 HydrophobicContact CD1-CG1 4.28Å; L510-I535 HydrophobicContact CD1-CD1 3.85Å; L510-I535 HydrophobicContact CD1-CG2 3.81Å; I535-I596 HydrophobicContact CG2-CG2 3.69Å; I535-I597 CarbonylContact C-O 3.52Å; I535-I597 VanDerWaalsContact CA-O 3.3Å; I535-I597 WeakPolarHBondContact CA-O 3.22Å; I535-L598 HydrophobicContact CG1-CD1 4.09Å |
| 536 | Y | 94.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 149.8 | 175.2 | -66.4 | -90.6 | 0 | 0 | 0 | 110.2 | R374 T534 W556 I596 I597 E599 P603 E611 C614 | R374-Y536 CarbonylContact O-C 3.54Å; R374-Y536 WeakPolarHBondContact O-CA 3.42Å; T534-Y536 HydrophobicContact CG2-CD2 4.16Å; T534-Y536 HydrophobicContact CG2-CE1 4.39Å; T534-Y536 HydrophobicContact CG2-CE2 3.49Å; T534-Y536 VanDerWaalsContact CG2-CE2 3.49Å; Y536-W556 HydrophobicContact CD1-CH2 4.42Å; Y536-W556 HydrophobicContact CD2-CH2 4.09Å; Y536-W556 AromaticContact CD2-CZ3 3.99Å; Y536-W556 HydrophobicContact CD2-CZ3 3.99Å; Y536-W556 AromaticContact CG-CH2 3.97Å; Y536-W556 HydrophobicContact CG-CH2 3.97Å; Y536-W556 HydrophobicContact CG-CZ3 4.32Å; Y536-I596 CarbonylContact O-C 3.54Å; Y536-I596 WeakPolarHBondContact O-CA 3.47Å; Y536-I597 PolarHBondContact N-O 2.59Å; Y536-I597 PolarHBondContact O-N 3.18Å; Y536-E599 HydrophobicContact CD2-CB 4.12Å; Y536-E599 HydrophobicContact CE2-CB 4.05Å; Y536-P603 HydrophobicContact CE2-CB 4.49Å; Y536-P603 HydrophobicContact CE2-CG 4.25Å; Y536-P603 WeakPolarHBondContact OH-CG 3.23Å; Y536-E611 PolarHBondContact OH-O 2.76Å; Y536-C614 HydrophobicContact CE1-CB 4.48Å |
| 537 | T | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 153.8 | 177.8 | -162.5 | 0 | 0 | 0 | 0 | 112.7 | L373 R374 L376 Y515 A595 | L373-T537 CarbonylContact C-O 3.56Å; L373-T537 VanDerWaalsContact CA-O 3.29Å; L373-T537 WeakPolarHBondContact CA-O 3.49Å; R374-T537 HydrophobicContact CG-CG2 3.88Å; R374-T537 PolarHBondContact N-O 3.37Å; R374-T537 PolarHBondContact O-N 2.72Å; L376-T537 HydrophobicContact CD1-CG2 3.77Å; L376-T537 HydrophobicContact CD2-CG2 3.57Å; L376-T537 HydrophobicContact CG-CG2 3.51Å; Y515-T537 HydrophobicContact CE1-CG2 3.75Å; Y515-T537 WeakPolarHBondContact OH-CG2 3.1Å; Y515-T537 PolarHBondContact OH-OG1 3.05Å; T537-A595 CarbonylContact C-O 3.44Å; T537-A595 WeakPolarHBondContact CA-O 3.37Å; T537-A595 PolarHBondContact OG1-O 3.1Å |
| 538 | A | 94.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | L371 K372 L373 R594 A595 | L371-A538 HydrophobicContact CD1-CB 3.7Å; L371-A538 HydrophobicContact CD2-CB 3.84Å; L371-A538 HydrophobicContact CG-CB 3.74Å; K372-A538 VanDerWaalsContact O-CB 3.31Å; K372-A538 WeakPolarHBondContact O-CB 3.37Å; L373-A538 HydrophobicContact CB-CB 4.4Å; L373-A538 HydrophobicContact CD2-CB 4.38Å; L373-A538 HydrophobicContact CG-CB 4.02Å; A538-R594 CarbonylContact O-C 3.54Å; A538-R594 WeakPolarHBondContact O-CA 3.39Å; A538-A595 PolarHBondContact N-O 2.74Å; A538-A595 PolarHBondContact O-N 2.8Å |
| 539 | D | 94.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 33.7 Ų | 33.7 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.4 | 162.2 | -74.4 | -22.2 | 0 | 0 | 0 | 108.1 | Y515 N593 R594 | Y515-D539 VanDerWaalsContact CE2-OD2 3.31Å; Y515-D539 WeakPolarHBondContact CE2-OD2 3.33Å; D539-N593 WeakPolarHBondContact CA-O 3.45Å; D539-R594 WeakPolarHBondContact OD1-CB 3.41Å; D539-R594 WeakPolarHBondContact OD1-CG 3.34Å; D539-R594 IonicContact OD1-CZ 2.71Å; D539-R594 IonicContact OD1-NE 3.08Å; D539-R594 PolarHBondContact OD1-NE 2.89Å; D539-R594 IonicContact OD1-NH2 3.72Å; D539-R594 PolarHBondContact OD1-NH2 3.04Å; D539-R594 IonicContact OD2-CZ 3.08Å; D539-R594 IonicContact OD2-NE 2.63Å; D539-R594 IonicContact OD2-NH2 2.6Å; D539-R594 PolarHBondContact OD2-NH2 3.01Å |
| 540 | F | 96.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.8 | -177.2 | 62.7 | -78.4 | 0 | 0 | 0 | 112 | L371 L542 N593 A595 F618 | L371-F540 HydrophobicContact CD1-CB 3.64Å; L371-F540 HydrophobicContact CD1-CD1 3.92Å; L371-F540 HydrophobicContact CD1-CG 3.86Å; L371-F540 HydrophobicContact CD2-CD1 3.7Å; L371-F540 HydrophobicContact CD2-CE1 3.81Å; L371-F540 HydrophobicContact CD2-CG 4.26Å; L371-F540 HydrophobicContact CD2-CZ 4.43Å; L371-F540 HydrophobicContact CG-CD1 4.5Å; F540-L542 HydrophobicContact CD2-CD2 3.85Å; F540-L542 HydrophobicContact CD2-CG 3.99Å; F540-L542 HydrophobicContact CE2-CD1 3.98Å; F540-L542 HydrophobicContact CE2-CD2 3.83Å; F540-L542 HydrophobicContact CE2-CG 3.79Å; F540-N593 HydrophobicContact CD1-CB 3.99Å; F540-N593 HydrophobicContact CD2-CB 3.95Å; F540-N593 HydrophobicContact CE1-CB 3.58Å; F540-N593 HydrophobicContact CE2-CB 3.56Å; F540-N593 HydrophobicContact CG-CB 4.16Å; F540-N593 HydrophobicContact CZ-CB 3.36Å; F540-N593 PolarHBondContact N-O 3.38Å; F540-N593 PolarHBondContact O-N 3.12Å; F540-A595 HydrophobicContact CE1-CB 4.09Å; F540-F618 HydrophobicContact CE2-CE2 4.24Å; F540-F618 HydrophobicContact CZ-CE2 4.01Å; F540-F618 HydrophobicContact CZ-CZ 4.37Å |
| 541 | L | 96.9 | Very high | 94.5 | Very high | 128 Ų | 128 | 28 Ų | 28 | 67% | 0.67 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.8 | -179.3 | -71.6 | 170.6 | 0 | 0 | 0 | 110.1 | G591 N592 | L541-G591 WeakPolarHBondContact CA-O 3.35Å; L541-N592 WeakPolarHBondContact CD2-OD1 3.43Å |
| 542 | L | 96.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.8 | 168.5 | -62.3 | -175.5 | 0 | 0 | 0 | 110.4 | Y368 F540 I546 L588 G591 N593 | Y368-L542 HydrophobicContact CD1-CD1 4.48Å; Y368-L542 HydrophobicContact CD1-CD2 3.52Å; Y368-L542 HydrophobicContact CE1-CD1 4.21Å; Y368-L542 HydrophobicContact CE1-CD2 3.96Å; Y368-L542 HydrophobicContact CG-CD2 3.89Å; F540-L542 HydrophobicContact CD2-CD2 3.85Å; F540-L542 HydrophobicContact CD2-CG 3.99Å; F540-L542 HydrophobicContact CE2-CD1 3.98Å; F540-L542 HydrophobicContact CE2-CD2 3.83Å; F540-L542 HydrophobicContact CE2-CG 3.79Å; L542-I546 HydrophobicContact CB-CD1 3.48Å; L542-I546 VanDerWaalsContact CB-CD1 3.48Å; L542-I546 HydrophobicContact CD1-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 4.33Å; L542-L588 HydrophobicContact CD1-CB 4.19Å; L542-L588 HydrophobicContact CD1-CD1 4.14Å; L542-L588 HydrophobicContact CD1-CD2 4.17Å; L542-L588 HydrophobicContact CD1-CG 4.41Å; L542-G591 PolarHBondContact N-O 3.29Å; L542-G591 WeakPolarHBondContact O-CA 3.48Å; L542-G591 PolarHBondContact O-N 2.88Å; L542-N593 WeakPolarHBondContact CG-ND2 3.11Å |
| 543 | G | 92.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 55% | 0.546 | 17% | 0.173 | S | C | . | . | trans | -70.9 | -165.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S545 | G543-S545 PolarHBondContact O-N 3.16Š| ||
| 544 | S | 85.9 | Confident | 95 | Very high | 103 Ų | 103 | 32.8 Ų | 32.8 | 72% | 0.72 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -71.7 | -25.5 | -175.2 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 545 | S | 89.7 | Confident | 94.7 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 47% | 0.469 | 22% | 0.215 | S | C | . | . | trans | -98 | 108.5 | 178.8 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | G543 | G543-S545 PolarHBondContact O-N 3.16Š| ||
| 546 | I | 96.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | trans | -107.2 | 112.6 | 176.9 | -54.4 | -61.2 | 0 | 0 | 0 | 109.1 | L542 K585 L588 R589 Q590 | L542-I546 HydrophobicContact CB-CD1 3.48Å; L542-I546 VanDerWaalsContact CB-CD1 3.48Å; L542-I546 HydrophobicContact CD1-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 4.33Å; I546-K585 HydrophobicContact CG2-CB 4.24Å; I546-L588 HydrophobicContact CG2-CB 3.62Å; I546-L588 HydrophobicContact CG2-CD1 4.49Å; I546-R589 WeakPolarHBondContact CD1-O 3.44Å; I546-Q590 HydrophobicContact CG1-CB 4.14Å | ||
| 547 | E | 97.7 | Very high | 94.5 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | trans | -129.1 | 175.8 | 176.8 | -60.9 | -61.2 | 167.3 | 0 | 0 | 111.2 | I364 I366 Y368 K585 | I364-E547 HydrophobicContact CB-CB 4.2Å; I364-E547 HydrophobicContact CB-CG 3.94Å; I364-E547 HydrophobicContact CG2-CB 4.08Å; I364-E547 HydrophobicContact CG2-CG 3.87Å; I366-E547 HydrophobicContact CD1-CB 3.87Å; I366-E547 HydrophobicContact CD1-CG 4.01Å; I366-E547 HydrophobicContact CG1-CB 4.04Å; Y368-E547 PolarHBondContact OH-N 3.04Å; Y368-E547 PolarHBondContact OH-O 2.79Å; E547-K585 IonicContact OE1-NZ 3.87Å; E547-K585 WeakPolarHBondContact OE2-CD 3.47Å; E547-K585 IonicContact OE2-NZ 2.91Å; E547-K585 PolarHBondContact OE2-NZ 2.83Å | ||
| 548 | D | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -59.7 | 159.1 | -178.9 | -62.3 | -28.2 | 0 | 0 | 0 | 111.2 | Y58 I364 K365 I366 Y582 V583 P584 K585 | Y58-D548 PolarHBondContact OH-OD1 2.85Å; Y58-D548 PolarHBondContact OH-OD2 2.83Å; Y58-D548 VanDerWaalsContact OH-OD2 3.06Å; I364-D548 PolarHBondContact O-N 2.75Å; K365-D548 CarbonylContact C-O 3.53Å; K365-D548 WeakPolarHBondContact CA-O 3.24Å; K365-D548 HydrophobicContact CD-CB 4.33Å; K365-D548 HydrophobicContact CG-CB 4.05Å; I366-D548 PolarHBondContact N-O 3.23Å; D548-Y582 HydrophobicContact CB-CE2 3.85Å; D548-Y582 PolarHBondContact OD2-OH 2.77Å; D548-V583 WeakPolarHBondContact CA-O 3.5Å; D548-P584 VanDerWaalsContact OD1-CA 3.28Å; D548-P584 WeakPolarHBondContact OD1-CA 3.49Å; D548-K585 PolarHBondContact OD1-N 3.02Å |
| 549 | T | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 177.5 | 174.9 | -166.8 | 0 | 0 | 0 | 0 | 110.2 | I366 Y368 V583 L588 F618 I619 | I366-T549 VanDerWaalsContact O-CB 3.29Å; I366-T549 WeakPolarHBondContact O-CB 3.42Å; I366-T549 PolarHBondContact O-OG1 3.36Å; Y368-T549 HydrophobicContact CD2-CG2 3.87Å; Y368-T549 HydrophobicContact CE2-CG2 3.87Å; T549-V583 HydrophobicContact CG2-CB 3.68Å; T549-V583 HydrophobicContact CG2-CG1 3.96Å; T549-V583 HydrophobicContact CG2-CG2 4.35Å; T549-V583 PolarHBondContact N-O 3.39Å; T549-V583 PolarHBondContact O-N 3.41Å; T549-L588 HydrophobicContact CG2-CD1 4.03Å; T549-F618 HydrophobicContact CG2-CB 4.45Å; T549-F618 HydrophobicContact CG2-CD1 3.6Å; T549-F618 HydrophobicContact CG2-CE1 4.17Å; T549-F618 HydrophobicContact CG2-CG 4.27Å; T549-I619 PolarHBondContact OG1-O 2.96Å |
| 550 | F | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.7 | 173.8 | -72 | -88.3 | 0 | 0 | 0 | 110 | A333 K365 Y552 T580 L581 Y582 F618 I619 F621 P622 | A333-F550 HydrophobicContact CB-CZ 3.99Å; K365-F550 HydrophobicContact CG-CD2 4.45Å; K365-F550 HydrophobicContact CG-CE2 4.01Å; F550-Y552 PolarHBondContact O-N 2.82Å; F550-T580 HydrophobicContact CB-CG2 4.31Å; F550-L581 CarbonylContact C-O 3.46Å; F550-L581 VanDerWaalsContact CA-O 3.28Å; F550-L581 WeakPolarHBondContact CA-O 3.27Å; F550-Y582 HydrophobicContact CD1-CD2 4.39Å; F550-Y582 AromaticContact CE1-CD2 3.79Å; F550-Y582 HydrophobicContact CE1-CD2 3.79Å; F550-Y582 HydrophobicContact CE1-CG 4.21Å; F550-Y582 HydrophobicContact CE2-CD2 4.29Å; F550-Y582 AromaticContact CZ-CD2 3.74Å; F550-Y582 HydrophobicContact CZ-CD2 3.74Å; F550-F618 CarbonylContact O-C 3.56Å; F550-F618 WeakPolarHBondContact O-CA 3.22Å; F550-I619 HydrophobicContact CB-CG1 3.92Å; F550-I619 PolarHBondContact N-O 3.39Å; F550-I619 PolarHBondContact O-N 3.09Å; F550-F621 VanDerWaalsContact CD2-C 3.45Å; F550-P622 HydrophobicContact CD1-CB 4.17Å; F550-P622 HydrophobicContact CE1-CB 3.63Å; F550-P622 HydrophobicContact CE1-CG 4.4Å; F550-P622 HydrophobicContact CZ-CB 3.83Å; F550-P622 HydrophobicContact CZ-CG 4.09Å |
| 551 | F | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.9 | 170.4 | 169 | -98.4 | 0 | 0 | 0 | 109.6 | P553 L561 Y571 T580 L581 V583 I597 I616 F618 | F551-P553 HydrophobicContact CD1-CB 4.36Å; F551-P553 HydrophobicContact CD1-CG 4.09Å; F551-P553 HydrophobicContact CE1-CB 3.48Å; F551-P553 VanDerWaalsContact CE1-CB 3.48Å; F551-P553 HydrophobicContact CE1-CG 3.52Å; F551-P553 HydrophobicContact CZ-CB 3.65Å; F551-P553 HydrophobicContact CZ-CG 4.23Å; F551-L561 HydrophobicContact CB-CD2 3.67Å; F551-L561 HydrophobicContact CD1-CD2 3.72Å; F551-L561 HydrophobicContact CD2-CD1 4.19Å; F551-L561 HydrophobicContact CD2-CD2 3.62Å; F551-L561 HydrophobicContact CE1-CB 4.44Å; F551-L561 HydrophobicContact CE1-CD2 4.18Å; F551-L561 HydrophobicContact CE2-CD1 3.96Å; F551-L561 HydrophobicContact CE2-CD2 4.1Å; F551-L561 HydrophobicContact CG-CD2 3.4Å; F551-L561 VanDerWaalsContact CG-CD2 3.4Å; F551-L561 HydrophobicContact CZ-CD1 4.29Å; F551-L561 HydrophobicContact CZ-CD2 4.36Å; F551-Y571 AromaticContact CE1-CD1 3.71Å; F551-Y571 HydrophobicContact CE1-CD1 3.71Å; F551-Y571 HydrophobicContact CE1-CE1 4.09Å; F551-Y571 HydrophobicContact CE1-CG 4.16Å; F551-Y571 HydrophobicContact CZ-CD1 4.37Å; F551-Y571 HydrophobicContact CZ-CE1 4.3Å; F551-T580 CarbonylContact O-C 3.46Å; F551-T580 WeakPolarHBondContact O-CA 3.36Å; F551-L581 HydrophobicContact CB-CB 4.22Å; F551-L581 HydrophobicContact CD1-CB 4.29Å; F551-L581 HydrophobicContact CD1-CD1 3.87Å; F551-L581 HydrophobicContact CD1-CG 3.98Å; F551-L581 HydrophobicContact CE1-CD1 4.32Å; F551-L581 PolarHBondContact N-O 3.37Å; F551-L581 PolarHBondContact O-N 3.21Å; F551-V583 HydrophobicContact CB-CG2 4.03Å; F551-I597 HydrophobicContact CE2-CD1 3.8Å; F551-I597 HydrophobicContact CZ-CD1 3.66Å; F551-I616 HydrophobicContact CD2-CB 4.45Å; F551-I616 HydrophobicContact CD2-CD1 3.75Å; F551-I616 HydrophobicContact CD2-CG1 4.23Å; F551-I616 HydrophobicContact CE2-CB 3.77Å; F551-I616 HydrophobicContact CE2-CD1 3.74Å; F551-I616 HydrophobicContact CE2-CG1 3.68Å; F551-I616 HydrophobicContact CE2-CG2 3.82Å; F551-I616 HydrophobicContact CZ-CB 4.37Å; F551-I616 HydrophobicContact CZ-CG2 3.99Å; F551-F618 HydrophobicContact CB-CD1 4.32Å; F551-F618 HydrophobicContact CB-CE1 4.03Å; F551-F618 HydrophobicContact CD2-CE1 4.17Å |
| 552 | Y | 96.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 99 | 179.5 | -177.9 | -147.4 | 0 | 0 | 0 | 110.9 | F550 K554 L579 T580 Q617 I619 L623 | F550-Y552 PolarHBondContact O-N 2.82Å; Y552-K554 HydrophobicContact CD1-CB 4.08Å; Y552-K554 HydrophobicContact CD2-CB 4.42Å; Y552-K554 HydrophobicContact CE1-CB 3.66Å; Y552-K554 HydrophobicContact CE1-CD 3.81Å; Y552-K554 HydrophobicContact CE1-CG 3.92Å; Y552-K554 HydrophobicContact CE2-CB 4.02Å; Y552-K554 HydrophobicContact CE2-CG 4.42Å; Y552-K554 HydrophobicContact CG-CB 4.44Å; Y552-K554 PolarHBondContact O-N 3.22Å; Y552-K554 WeakPolarHBondContact OH-CG 3.26Å; Y552-L579 WeakPolarHBondContact CD2-O 3.22Å; Y552-L579 HydrophobicContact CE2-CB 4.43Å; Y552-T580 HydrophobicContact CD2-CG2 4.05Å; Y552-T580 HydrophobicContact CG-CG2 4.24Å; Y552-Q617 HydrophobicContact CD1-CB 4.4Å; Y552-Q617 PolarHBondContact N-O 2.84Å; Y552-Q617 PolarHBondContact O-N 3.13Å; Y552-I619 HydrophobicContact CD1-CD1 4.15Å; Y552-I619 HydrophobicContact CG-CD1 4.17Å; Y552-L623 HydrophobicContact CD1-CD1 4.49Å; Y552-L623 HydrophobicContact CD2-CD1 4.19Å; Y552-L623 HydrophobicContact CE1-CD1 4.17Å; Y552-L623 HydrophobicContact CE2-CD1 3.87Å |
| 553 | P | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -84 | 61.1 | 178.5 | 35.8 | -35.4 | 0 | 0 | 0 | 111 | F551 G555 W556 Y571 P573 L579 I616 | F551-P553 HydrophobicContact CD1-CB 4.36Å; F551-P553 HydrophobicContact CD1-CG 4.09Å; F551-P553 HydrophobicContact CE1-CB 3.48Å; F551-P553 VanDerWaalsContact CE1-CB 3.48Å; F551-P553 HydrophobicContact CE1-CG 3.52Å; F551-P553 HydrophobicContact CZ-CB 3.65Å; F551-P553 HydrophobicContact CZ-CG 4.23Å; P553-G555 PolarHBondContact O-N 2.95Å; P553-G555 VanDerWaalsContact O-N 3.14Å; P553-W556 HydrophobicContact CB-CB 3.96Å; P553-W556 HydrophobicContact CB-CG 4.01Å; P553-W556 WeakPolarHBondContact O-CB 3.17Å; P553-W556 PolarHBondContact O-N 3.15Å; P553-Y571 HydrophobicContact CB-CD2 4.03Å; P553-Y571 HydrophobicContact CB-CE2 4.19Å; P553-Y571 HydrophobicContact CB-CG 4.34Å; P553-Y571 HydrophobicContact CG-CD2 3.73Å; P553-Y571 HydrophobicContact CG-CE2 4.39Å; P553-Y571 HydrophobicContact CG-CG 3.82Å; P553-P573 HydrophobicContact CG-CG 4.26Å; P553-L579 WeakPolarHBondContact CD-O 3.17Å; P553-I616 HydrophobicContact CB-CG2 4.5Å | ||
| 554 | K | 89.3 | Confident | 95.4 | Very high | 90 Ų | 90 | 21.3 Ų | 21.3 | 39% | 0.391 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 119.9 | -175.3 | -172.9 | 176.8 | -177.2 | 176.6 | 0 | 111.7 | Y552 W556 Q605 | Y552-K554 HydrophobicContact CD1-CB 4.08Å; Y552-K554 HydrophobicContact CD2-CB 4.42Å; Y552-K554 HydrophobicContact CE1-CB 3.66Å; Y552-K554 HydrophobicContact CE1-CD 3.81Å; Y552-K554 HydrophobicContact CE1-CG 3.92Å; Y552-K554 HydrophobicContact CE2-CB 4.02Å; Y552-K554 HydrophobicContact CE2-CG 4.42Å; Y552-K554 HydrophobicContact CG-CB 4.44Å; Y552-K554 PolarHBondContact O-N 3.22Å; Y552-K554 WeakPolarHBondContact OH-CG 3.26Å; K554-W556 VanDerWaalsContact C-N 3.26Å; K554-W556 PolarHBondContact O-N 3.49Å; K554-Q605 VanDerWaalsContact O-CD 3.25Å; K554-Q605 VanDerWaalsContact O-CG 3.28Å; K554-Q605 WeakPolarHBondContact O-CG 3.45Å; K554-Q605 PolarHBondContact O-OE1 2.91Å |
| 555 | G | 88.2 | Confident | 95.9 | Very high | 49 Ų | 49 | 18.1 Ų | 18.1 | 51% | 0.505 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -7.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | P553 G604 | P553-G555 PolarHBondContact O-N 2.95Å; P553-G555 VanDerWaalsContact O-N 3.14Å; G555-G604 WeakPolarHBondContact O-CA 2.89Å; G555-G604 PolarHBondContact O-N 3.22Å |
| 556 | W | 93 | Very high | 96.2 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 157.3 | 174.2 | -63.8 | 48.2 | 0 | 0 | 0 | 110.3 | L373 Y536 P553 K554 Y571 P573 I597 E599 N602 P603 C614 A615 I616 | L373-W556 HydrophobicContact CD1-CH2 4.14Å; L373-W556 HydrophobicContact CD1-CZ2 3.94Å; Y536-W556 HydrophobicContact CD1-CH2 4.42Å; Y536-W556 HydrophobicContact CD2-CH2 4.09Å; Y536-W556 AromaticContact CD2-CZ3 3.99Å; Y536-W556 HydrophobicContact CD2-CZ3 3.99Å; Y536-W556 AromaticContact CG-CH2 3.97Å; Y536-W556 HydrophobicContact CG-CH2 3.97Å; Y536-W556 HydrophobicContact CG-CZ3 4.32Å; P553-W556 HydrophobicContact CB-CB 3.96Å; P553-W556 HydrophobicContact CB-CG 4.01Å; P553-W556 WeakPolarHBondContact O-CB 3.17Å; P553-W556 PolarHBondContact O-N 3.15Å; K554-W556 VanDerWaalsContact C-N 3.26Å; K554-W556 PolarHBondContact O-N 3.49Å; W556-Y571 HydrophobicContact CB-CE2 4.01Å; W556-Y571 HydrophobicContact CE3-CE2 4.48Å; W556-P573 WeakPolarHBondContact O-CG 3.34Å; W556-I597 HydrophobicContact CE3-CG2 4.37Å; W556-I597 HydrophobicContact CH2-CD1 4.13Å; W556-I597 HydrophobicContact CZ3-CB 4.41Å; W556-I597 HydrophobicContact CZ3-CD1 4.07Å; W556-I597 HydrophobicContact CZ3-CG2 3.76Å; W556-E599 HydrophobicContact CE3-CB 4.18Å; W556-E599 HydrophobicContact CE3-CG 4.17Å; W556-E599 HydrophobicContact CZ3-CB 4.05Å; W556-E599 HydrophobicContact CZ3-CG 4.45Å; W556-N602 CarbonylContact C-O 3.56Å; W556-N602 WeakPolarHBondContact CA-O 3.46Å; W556-P603 HydrophobicContact CD2-CB 3.98Å; W556-P603 HydrophobicContact CE3-CB 4.05Å; W556-P603 HydrophobicContact CH2-CB 4.22Å; W556-P603 HydrophobicContact CZ2-CB 4.15Å; W556-P603 HydrophobicContact CZ3-CB 4.17Å; W556-C614 HydrophobicContact CH2-CB 4.28Å; W556-C614 HydrophobicContact CZ2-CB 3.69Å; W556-A615 PolarHBondContact NE1-O 2.9Å; W556-I616 HydrophobicContact CD2-CG2 4.22Å; W556-I616 HydrophobicContact CH2-CG2 4.27Å; W556-I616 HydrophobicContact CZ2-CG2 3.55Å |
| 557 | G | 93.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 6% | 0.062 | 11% | 0.108 | C | C | . | . | trans | -84.7 | -74.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P573 N602 | G557-P573 WeakPolarHBondContact O-CD 3.34Å; G557-N602 PolarHBondContact N-O 3.34Å | ||
| 558 | K | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -157.1 | 132.5 | -172.9 | -173.6 | -168 | -179.4 | -61.2 | 0 | 111 | L433 E471 Y571 W572 E599 Y600 E601 | L433-K558 HydrophobicContact CD2-CD 4.28Å; E471-K558 IonicContact OE1-NZ 3.85Å; E471-K558 PolarHBondContact OE1-NZ 3.45Å; E471-K558 WeakPolarHBondContact OE2-CE 3Å; E471-K558 IonicContact OE2-NZ 3.64Å; E471-K558 PolarHBondContact OE2-NZ 2.98Å; K558-Y571 WeakPolarHBondContact CA-O 3.31Å; K558-W572 HydrophobicContact CB-CD2 4.45Å; K558-W572 HydrophobicContact CB-CG 4.01Å; K558-W572 HydrophobicContact CD-CD2 3.62Å; K558-W572 VanDerWaalsContact CD-CE2 3.45Å; K558-W572 HydrophobicContact CD-CE3 4.03Å; K558-W572 HydrophobicContact CD-CG 4.04Å; K558-W572 HydrophobicContact CD-CH2 4.13Å; K558-W572 HydrophobicContact CD-CZ2 3.72Å; K558-W572 HydrophobicContact CD-CZ3 4.26Å; K558-W572 HydrophobicContact CG-CB 4.09Å; K558-W572 HydrophobicContact CG-CD2 3.77Å; K558-W572 HydrophobicContact CG-CE3 4.4Å; K558-W572 HydrophobicContact CG-CG 3.63Å; K558-E599 PolarHBondContact N-OE1 3.43Å; K558-Y600 WeakPolarHBondContact O-CB 2.72Å; K558-Y600 PolarHBondContact O-N 2.85Å; K558-E601 HydrophobicContact CB-CB 4.33Å; K558-E601 HydrophobicContact CB-CG 3.88Å; K558-E601 WeakPolarHBondContact CB-OE1 3.43Å |
| 559 | G | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | -172.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | R570 Y571 L598 | G559-R570 WeakPolarHBondContact O-CA 3.39Å; G559-Y571 WeakPolarHBondContact CA-OH 3.49Å; G559-Y571 VanDerWaalsContact N-CZ 3.34Å; G559-Y571 PolarHBondContact N-O 2.81Å; G559-Y571 WeakPolarHBondContact O-CD1 3.46Å; G559-Y571 PolarHBondContact O-N 2.96Å; G559-L598 CarbonylContact C-O 3.49Å; G559-L598 WeakPolarHBondContact CA-O 3.31Å |
| 560 | Q | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.1 | 177.7 | -164.3 | 76 | 26.5 | 0 | 0 | 109.6 | G310 F311 Y562 N567 G569 I597 L598 | G310-Q560 PolarHBondContact O-NE2 2.85Å; G310-Q560 VanDerWaalsContact O-NE2 3.14Å; F311-Q560 HydrophobicContact CE1-CG 3.95Å; F311-Q560 HydrophobicContact CZ-CG 4.24Å; Q560-Y562 HydrophobicContact CB-CE2 3.92Å; Q560-Y562 HydrophobicContact CG-CD2 4.33Å; Q560-Y562 HydrophobicContact CG-CE2 3.5Å; Q560-Y562 VanDerWaalsContact CG-CE2 3.5Å; Q560-N567 PolarHBondContact NE2-ND2 2.74Å; Q560-N567 PolarHBondContact NE2-OD1 3.19Å; Q560-G569 VanDerWaalsContact NE2-CA 3.27Å; Q560-G569 PolarHBondContact NE2-O 2.74Å; Q560-I597 WeakPolarHBondContact O-CA 3.46Å; Q560-L598 PolarHBondContact N-O 2.79Å; Q560-L598 PolarHBondContact O-N 2.79Å |
| 561 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.2 | 177.5 | 174 | 67.3 | 0 | 0 | 0 | 111.8 | F551 L563 N567 V568 G569 L581 I597 | F551-L561 HydrophobicContact CB-CD2 3.67Å; F551-L561 HydrophobicContact CD1-CD2 3.72Å; F551-L561 HydrophobicContact CD2-CD1 4.19Å; F551-L561 HydrophobicContact CD2-CD2 3.62Å; F551-L561 HydrophobicContact CE1-CB 4.44Å; F551-L561 HydrophobicContact CE1-CD2 4.18Å; F551-L561 HydrophobicContact CE2-CD1 3.96Å; F551-L561 HydrophobicContact CE2-CD2 4.1Å; F551-L561 HydrophobicContact CG-CD2 3.4Å; F551-L561 VanDerWaalsContact CG-CD2 3.4Å; F551-L561 HydrophobicContact CZ-CD1 4.29Å; F551-L561 HydrophobicContact CZ-CD2 4.36Å; L561-L563 HydrophobicContact CD1-CD2 4.03Å; L561-L563 HydrophobicContact CD1-CG 4.16Å; L561-L563 HydrophobicContact CD2-CD1 4.18Å; L561-L563 HydrophobicContact CD2-CG 4.21Å; L561-L563 HydrophobicContact CG-CG 4.16Å; L561-N567 PolarHBondContact O-OD1 3.15Å; L561-V568 HydrophobicContact CB-CB 4.24Å; L561-V568 HydrophobicContact CD2-CB 3.88Å; L561-V568 HydrophobicContact CD2-CG1 4.05Å; L561-V568 HydrophobicContact CD2-CG2 3.86Å; L561-V568 HydrophobicContact CG-CB 4.02Å; L561-V568 HydrophobicContact CG-CG2 3.93Å; L561-V568 PolarHBondContact O-N 3.44Å; L561-G569 PolarHBondContact N-O 2.88Å; L561-L581 HydrophobicContact CB-CD1 3.87Å; L561-L581 HydrophobicContact CD2-CD1 4.07Å; L561-I597 HydrophobicContact CD1-CD1 4.17Å; L561-I597 HydrophobicContact CD1-CG1 3.72Å |
| 562 | Y | 98.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.5 | 168.7 | -59.4 | -97.5 | 0 | 0 | 0 | 111.1 | F311 I507 E508 F511 Q560 H566 N567 A595 I596 | F311-Y562 WeakPolarHBondContact CZ-OH 3.46Å; I507-Y562 HydrophobicContact CB-CD2 4.06Å; I507-Y562 HydrophobicContact CB-CE1 4.45Å; I507-Y562 HydrophobicContact CB-CE2 3.6Å; I507-Y562 HydrophobicContact CG1-CE2 3.97Å; I507-Y562 HydrophobicContact CG2-CD2 3.57Å; I507-Y562 HydrophobicContact CG2-CE2 3.64Å; I507-Y562 HydrophobicContact CG2-CG 4.16Å; E508-Y562 HydrophobicContact CG-CD1 4.12Å; E508-Y562 HydrophobicContact CG-CE1 3.89Å; E508-Y562 WeakPolarHBondContact OE1-CE1 3.45Å; F511-Y562 HydrophobicContact CE2-CG 4.48Å; Q560-Y562 HydrophobicContact CB-CE2 3.92Å; Q560-Y562 HydrophobicContact CG-CD2 4.33Å; Q560-Y562 HydrophobicContact CG-CE2 3.5Å; Q560-Y562 VanDerWaalsContact CG-CE2 3.5Å; Y562-H566 CarbonylContact C-O 3.58Å; Y562-H566 WeakPolarHBondContact CA-O 3.36Å; Y562-N567 HydrophobicContact CD1-CB 3.75Å; Y562-N567 HydrophobicContact CE1-CB 3.5Å; Y562-A595 WeakPolarHBondContact O-CA 3.46Å; Y562-I596 WeakPolarHBondContact CB-O 2.93Å; Y562-I596 PolarHBondContact N-O 2.88Å; Y562-I596 PolarHBondContact O-N 3.35Å |
| 563 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.1 | 176.5 | -66.7 | 179 | 0 | 0 | 0 | 109.8 | L561 G565 H566 V568 V583 L588 A595 F618 | L561-L563 HydrophobicContact CD1-CD2 4.03Å; L561-L563 HydrophobicContact CD1-CG 4.16Å; L561-L563 HydrophobicContact CD2-CD1 4.18Å; L561-L563 HydrophobicContact CD2-CG 4.21Å; L561-L563 HydrophobicContact CG-CG 4.16Å; L563-G565 PolarHBondContact O-N 2.84Å; L563-G565 VanDerWaalsContact O-N 3.09Å; L563-H566 PolarHBondContact N-O 2.64Å; L563-H566 WeakPolarHBondContact O-CA 2.96Å; L563-H566 WeakPolarHBondContact O-CB 3.46Å; L563-H566 PolarHBondContact O-CD2 2.95Å; L563-H566 PolarHBondContact O-N 3.14Å; L563-V568 HydrophobicContact CB-CG2 4.05Å; L563-V568 HydrophobicContact CD1-CG2 3.87Å; L563-V568 HydrophobicContact CG-CG2 3.83Å; L563-V583 HydrophobicContact CD1-CB 4.4Å; L563-V583 HydrophobicContact CD1-CG1 3.55Å; L563-V583 HydrophobicContact CD1-CG2 3.88Å; L563-L588 HydrophobicContact CD1-CD2 4.18Å; L563-A595 HydrophobicContact CD2-CB 3.6Å; L563-F618 HydrophobicContact CD1-CE1 4.18Å; L563-F618 HydrophobicContact CD1-CZ 4.18Å; L563-F618 HydrophobicContact CD2-CZ 4.11Å |
| 564 | N | 97.1 | Very high | 95.8 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 34.4 | 177.5 | -59.6 | -42.4 | 0 | 0 | 0 | 114.6 | H566 M587 R589 N593 R594 | N564-H566 VanDerWaalsContact C-N 3.33Å; N564-M587 PolarHBondContact ND2-O 3.23Å; N564-R589 PolarHBondContact O-NH2 3.13Å; N564-N593 PolarHBondContact ND2-OD1 3.15Å; N564-N593 VanDerWaalsContact OD1-CA 3.28Å; N564-N593 WeakPolarHBondContact OD1-CA 3.47Å; N564-R594 PolarHBondContact N-O 3.2Å; N564-R594 PolarHBondContact OD1-N 2.77Å |
| 565 | G | 95.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 37% | 0.371 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L563 | L563-G565 PolarHBondContact O-N 2.84Å; L563-G565 VanDerWaalsContact O-N 3.09Å |
| 566 | H | 97.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 22.5 Ų | 22.5 | 35% | 0.352 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.5 | 173.5 | -60.2 | -80.2 | 0 | 0 | 0 | 110.6 | Y562 L563 N564 V568 M587 | Y562-H566 CarbonylContact C-O 3.58Å; Y562-H566 WeakPolarHBondContact CA-O 3.36Å; L563-H566 PolarHBondContact N-O 2.64Å; L563-H566 WeakPolarHBondContact O-CA 2.96Å; L563-H566 WeakPolarHBondContact O-CB 3.46Å; L563-H566 PolarHBondContact O-CD2 2.95Å; L563-H566 PolarHBondContact O-N 3.14Å; N564-H566 VanDerWaalsContact C-N 3.33Å; H566-V568 PolarHBondContact O-N 2.66Å; H566-M587 HydrophobicContact CB-CB 4.29Å; H566-M587 HydrophobicContact CB-CE 4.38Å; H566-M587 HydrophobicContact CB-CG 3.86Å; H566-M587 HydrophobicContact CB-SD 3.95Å |
| 567 | N | 98 | Very high | 96.3 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 104.2 | 169.3 | -170.8 | -8.7 | 0 | 0 | 0 | 109.5 | G310 F311 Q560 L561 Y562 G569 | G310-N567 WeakPolarHBondContact CA-ND2 3.39Å; G310-N567 WeakPolarHBondContact CA-OD1 3.42Å; G310-N567 PolarHBondContact N-O 3.21Å; F311-N567 WeakPolarHBondContact CE2-ND2 3.45Å; F311-N567 VanDerWaalsContact CZ-ND2 3.33Å; F311-N567 WeakPolarHBondContact CZ-ND2 3.33Å; Q560-N567 PolarHBondContact NE2-ND2 2.74Å; Q560-N567 PolarHBondContact NE2-OD1 3.19Å; L561-N567 PolarHBondContact O-OD1 3.15Å; Y562-N567 HydrophobicContact CD1-CB 3.75Å; Y562-N567 HydrophobicContact CE1-CB 3.5Å; N567-G569 PolarHBondContact OD1-N 3.34Å |
| 568 | V | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -48.3 | -177.4 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | F309 G310 L561 L563 H566 L581 V583 M587 | F309-V568 WeakPolarHBondContact CD1-O 3.32Å; G310-V568 PolarHBondContact N-O 2.82Å; L561-V568 HydrophobicContact CB-CB 4.24Å; L561-V568 HydrophobicContact CD2-CB 3.88Å; L561-V568 HydrophobicContact CD2-CG1 4.05Å; L561-V568 HydrophobicContact CD2-CG2 3.86Å; L561-V568 HydrophobicContact CG-CB 4.02Å; L561-V568 HydrophobicContact CG-CG2 3.93Å; L561-V568 PolarHBondContact O-N 3.44Å; L563-V568 HydrophobicContact CB-CG2 4.05Å; L563-V568 HydrophobicContact CD1-CG2 3.87Å; L563-V568 HydrophobicContact CG-CG2 3.83Å; H566-V568 PolarHBondContact O-N 2.66Å; V568-L581 HydrophobicContact CG1-CB 4.02Å; V568-L581 HydrophobicContact CG1-CD1 4.17Å; V568-V583 HydrophobicContact CG1-CG2 4.08Å; V568-M587 HydrophobicContact CG2-SD 4.05Å |
| 569 | G | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q560 L561 N567 | Q560-G569 VanDerWaalsContact NE2-CA 3.27Å; Q560-G569 PolarHBondContact NE2-O 2.74Å; L561-G569 PolarHBondContact N-O 2.88Å; N567-G569 PolarHBondContact OD1-N 3.34Å |
| 570 | R | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.9 | 178.7 | 179.3 | -172.1 | -62.9 | 143.8 | 12.6 | 109.5 | W272 T322 E471 N472 L473 G559 L581 | W272-R570 WeakPolarHBondContact CZ2-O 3.25Å; T322-R570 PolarHBondContact OG1-N 3.19Å; T322-R570 VanDerWaalsContact OG1-N 3.13Å; T322-R570 PolarHBondContact OG1-O 3.16Å; T322-R570 VanDerWaalsContact OG1-O 3.07Å; E471-R570 IonicContact OE1-CZ 2.59Å; E471-R570 IonicContact OE1-NE 2.82Å; E471-R570 PolarHBondContact OE1-NE 2.5Å; E471-R570 IonicContact OE1-NH2 2.96Å; N472-R570 PolarHBondContact O-NH2 3.43Å; N472-R570 VanDerWaalsContact O-NH2 3.11Å; L473-R570 VanDerWaalsContact CA-NH2 3.32Å; L473-R570 PolarHBondContact O-NH1 3.23Å; L473-R570 PolarHBondContact O-NH2 3.16Å; G559-R570 WeakPolarHBondContact O-CA 3.39Å; R570-L581 WeakPolarHBondContact O-CD2 3.42Å |
| 571 | Y | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.4 | 163.4 | 63.8 | -92.7 | 0 | 0 | 0 | 110.3 | F551 P553 W556 K558 G559 P573 L581 I597 E599 | F551-Y571 AromaticContact CE1-CD1 3.71Å; F551-Y571 HydrophobicContact CE1-CD1 3.71Å; F551-Y571 HydrophobicContact CE1-CE1 4.09Å; F551-Y571 HydrophobicContact CE1-CG 4.16Å; F551-Y571 HydrophobicContact CZ-CD1 4.37Å; F551-Y571 HydrophobicContact CZ-CE1 4.3Å; P553-Y571 HydrophobicContact CB-CD2 4.03Å; P553-Y571 HydrophobicContact CB-CE2 4.19Å; P553-Y571 HydrophobicContact CB-CG 4.34Å; P553-Y571 HydrophobicContact CG-CD2 3.73Å; P553-Y571 HydrophobicContact CG-CE2 4.39Å; P553-Y571 HydrophobicContact CG-CG 3.82Å; W556-Y571 HydrophobicContact CB-CE2 4.01Å; W556-Y571 HydrophobicContact CE3-CE2 4.48Å; K558-Y571 WeakPolarHBondContact CA-O 3.31Å; G559-Y571 WeakPolarHBondContact CA-OH 3.49Å; G559-Y571 VanDerWaalsContact N-CZ 3.34Å; G559-Y571 PolarHBondContact N-O 2.81Å; G559-Y571 WeakPolarHBondContact O-CD1 3.46Å; G559-Y571 PolarHBondContact O-N 2.96Å; Y571-P573 HydrophobicContact CD2-CG 4.48Å; Y571-L581 HydrophobicContact CD1-CD1 4.38Å; Y571-I597 HydrophobicContact CE1-CG2 3.9Å; Y571-I597 WeakPolarHBondContact OH-CG2 3.36Å; Y571-E599 WeakPolarHBondContact CE2-OE2 3.48Å; Y571-E599 VanDerWaalsContact CZ-OE2 3.25Å; Y571-E599 PolarHBondContact OH-OE2 2.85Å |
| 572 | W | 96.1 | Very high | 96.5 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 6% | 0.064 | 12% | 0.12 | C | C | . | . | trans | -150.2 | 58.4 | 174 | -158.5 | -4.4 | 0 | 0 | 0 | 111 | W272 L433 L473 K558 R574 L575 G576 E601 | W272-W572 HydrophobicContact CB-CE3 4.14Å; W272-W572 HydrophobicContact CD2-CB 3.88Å; W272-W572 HydrophobicContact CD2-CE3 4.42Å; W272-W572 HydrophobicContact CE3-CB 3.53Å; W272-W572 HydrophobicContact CE3-CG 4.47Å; W272-W572 HydrophobicContact CG-CE3 4.06Å; W272-W572 HydrophobicContact CH2-CB 4.11Å; W272-W572 HydrophobicContact CZ2-CB 4.41Å; W272-W572 HydrophobicContact CZ3-CB 3.65Å; W272-W572 WeakPolarHBondContact CZ3-O 3.34Å; L433-W572 HydrophobicContact CD2-CH2 4.21Å; L473-W572 HydrophobicContact CD1-CZ3 4.47Å; L473-W572 HydrophobicContact CD2-CZ3 4.37Å; K558-W572 HydrophobicContact CB-CD2 4.45Å; K558-W572 HydrophobicContact CB-CG 4.01Å; K558-W572 HydrophobicContact CD-CD2 3.62Å; K558-W572 VanDerWaalsContact CD-CE2 3.45Å; K558-W572 HydrophobicContact CD-CE3 4.03Å; K558-W572 HydrophobicContact CD-CG 4.04Å; K558-W572 HydrophobicContact CD-CH2 4.13Å; K558-W572 HydrophobicContact CD-CZ2 3.72Å; K558-W572 HydrophobicContact CD-CZ3 4.26Å; K558-W572 HydrophobicContact CG-CB 4.09Å; K558-W572 HydrophobicContact CG-CD2 3.77Å; K558-W572 HydrophobicContact CG-CE3 4.4Å; K558-W572 HydrophobicContact CG-CG 3.63Å; W572-R574 PolarHBondContact O-N 2.86Å; W572-R574 VanDerWaalsContact O-N 3.1Å; W572-L575 HydrophobicContact CD2-CB 4.27Å; W572-L575 HydrophobicContact CD2-CD1 3.54Å; W572-L575 HydrophobicContact CD2-CG 3.89Å; W572-L575 HydrophobicContact CE3-CD1 3.79Å; W572-L575 HydrophobicContact CG-CB 4.15Å; W572-L575 HydrophobicContact CG-CD1 4.26Å; W572-L575 HydrophobicContact CG-CG 4.12Å; W572-L575 HydrophobicContact CH2-CD1 3.65Å; W572-L575 HydrophobicContact CZ2-CD1 3.38Å; W572-L575 HydrophobicContact CZ2-CG 4.04Å; W572-L575 HydrophobicContact CZ3-CD1 3.84Å; W572-L575 PolarHBondContact O-N 2.77Å; W572-G576 PolarHBondContact O-N 3.41Å; W572-E601 PolarHBondContact NE1-OE1 3.15Å | ||
| 573 | P | 93.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 14% | 0.143 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22 | -174.2 | 29.8 | -39.9 | 0 | 0 | 0 | 113.1 | P553 W556 G557 Y571 L575 G576 L579 | P553-P573 HydrophobicContact CG-CG 4.26Å; W556-P573 WeakPolarHBondContact O-CG 3.34Å; G557-P573 WeakPolarHBondContact O-CD 3.34Å; Y571-P573 HydrophobicContact CD2-CG 4.48Å; P573-L575 VanDerWaalsContact C-N 3.26Å; P573-L575 PolarHBondContact O-N 3.22Å; P573-G576 PolarHBondContact O-N 2.69Å; P573-L579 HydrophobicContact CB-CD2 3.72Å |
| 574 | R | 90.4 | Very high | 96.5 | Very high | 183 Ų | 183 | 23.6 Ų | 23.6 | 69% | 0.691 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.6 | 172.5 | -173.4 | -177.7 | 176 | -173.8 | -0 | 112.8 | W572 E601 | W572-R574 PolarHBondContact O-N 2.86Å; W572-R574 VanDerWaalsContact O-N 3.1Å; R574-E601 WeakPolarHBondContact CD-OE2 3.47Å; R574-E601 IonicContact CZ-OE2 3.65Å; R574-E601 IonicContact NE-OE2 2.69Å; R574-E601 IonicContact NH1-OE2 2.82Å; R574-E601 PolarHBondContact NH1-OE2 2.8Å |
| 575 | L | 91.9 | Very high | 96.5 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 35% | 0.351 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -33.9 | 174.2 | -71.2 | -167.8 | 0 | 0 | 0 | 112.5 | W272 W572 P573 | W272-L575 HydrophobicContact CB-CD1 4.35Å; W572-L575 HydrophobicContact CD2-CB 4.27Å; W572-L575 HydrophobicContact CD2-CD1 3.54Å; W572-L575 HydrophobicContact CD2-CG 3.89Å; W572-L575 HydrophobicContact CE3-CD1 3.79Å; W572-L575 HydrophobicContact CG-CB 4.15Å; W572-L575 HydrophobicContact CG-CD1 4.26Å; W572-L575 HydrophobicContact CG-CG 4.12Å; W572-L575 HydrophobicContact CH2-CD1 3.65Å; W572-L575 HydrophobicContact CZ2-CD1 3.38Å; W572-L575 HydrophobicContact CZ2-CG 4.04Å; W572-L575 HydrophobicContact CZ3-CD1 3.84Å; W572-L575 PolarHBondContact O-N 2.77Å; P573-L575 VanDerWaalsContact C-N 3.26Å; P573-L575 PolarHBondContact O-N 3.22Å |
| 576 | G | 93.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 6% | 0.062 | 13% | 0.129 | C | C | . | . | trans | 62.4 | -172 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W272 G273 W572 P573 | W272-G576 CarbonylContact C-O 3.23Å; W272-G576 VanDerWaalsContact CA-O 3.26Å; W272-G576 WeakPolarHBondContact CA-O 3.5Å; W272-G576 VanDerWaalsContact CE3-O 3.3Å; G273-G576 PolarHBondContact N-O 2.85Å; W572-G576 PolarHBondContact O-N 3.41Å; P573-G576 PolarHBondContact O-N 2.69Å | ||
| 577 | P | 95.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | S | Bend | cis | -80.3 | -19.5 | 4.3 | 31.6 | -33.9 | 0 | 0 | 0 | 113.6 | D270 E271 R274 H276 T321 L579 S625 | D270-P577 HydrophobicContact CB-CG 3.84Å; D270-P577 WeakPolarHBondContact OD2-CG 3.36Å; E271-P577 VanDerWaalsContact O-CD 3.29Å; E271-P577 WeakPolarHBondContact O-CD 3.48Å; R274-P577 WeakPolarHBondContact O-CB 3.19Å; R274-P577 VanDerWaalsContact O-CD 3.25Å; R274-P577 WeakPolarHBondContact O-CD 3.32Å; H276-P577 HydrophobicContact CB-CB 3.95Å; H276-P577 HydrophobicContact CB-CG 4.39Å; H276-P577 VanDerWaalsContact N-CB 3.33Å; T321-P577 HydrophobicContact CG2-CG 4.49Å; P577-L579 PolarHBondContact O-N 2.86Å; P577-S625 PolarHBondContact O-N 2.96Å; P577-S625 VanDerWaalsContact O-N 3.11Å |
| 578 | Q | 96.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 119.9 | 179.2 | 179.1 | -179.8 | 10.1 | 0 | 0 | 110.7 | W272 T321 S323 T580 L624 | W272-Q578 HydrophobicContact CH2-CB 3.8Å; W272-Q578 HydrophobicContact CH2-CG 4.13Å; W272-Q578 HydrophobicContact CZ3-CB 3.9Å; W272-Q578 WeakPolarHBondContact CZ3-O 3.42Å; T321-Q578 HydrophobicContact CG2-CB 4.14Å; S323-Q578 VanDerWaalsContact N-CD 3.34Å; Q578-T580 WeakPolarHBondContact CG-O 3.25Å; Q578-T580 PolarHBondContact NE2-O 2.79Å; Q578-L624 HydrophobicContact CB-CD2 4.09Å; Q578-L624 HydrophobicContact CG-CD2 4.12Å |
| 579 | L | 95.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 14% | 0.141 | 14% | 0.135 | C | C | . | . | trans | -107.4 | -13.3 | 178 | -54.4 | -177 | 0 | 0 | 0 | 112.9 | Y552 P553 P573 P577 L623 S625 | Y552-L579 WeakPolarHBondContact CD2-O 3.22Å; Y552-L579 HydrophobicContact CE2-CB 4.43Å; P553-L579 WeakPolarHBondContact CD-O 3.17Å; P573-L579 HydrophobicContact CB-CD2 3.72Å; P577-L579 PolarHBondContact O-N 2.86Å; L579-L623 HydrophobicContact CB-CB 3.84Å; L579-L623 HydrophobicContact CD1-CB 4.37Å; L579-L623 PolarHBondContact N-O 2.78Å; L579-S625 WeakPolarHBondContact CD1-O 3.41Å | ||
| 580 | T | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | trans | -128.7 | 148.3 | -179.6 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | F550 F551 Y552 Q578 I619 L623 | F550-T580 HydrophobicContact CB-CG2 4.31Å; F551-T580 CarbonylContact O-C 3.46Å; F551-T580 WeakPolarHBondContact O-CA 3.36Å; Y552-T580 HydrophobicContact CD2-CG2 4.05Å; Y552-T580 HydrophobicContact CG-CG2 4.24Å; Q578-T580 WeakPolarHBondContact CG-O 3.25Å; Q578-T580 PolarHBondContact NE2-O 2.79Å; T580-I619 HydrophobicContact CG2-CD1 3.87Å; T580-I619 HydrophobicContact CG2-CG1 4.42Å; T580-L623 HydrophobicContact CG2-CB 3.86Å; T580-L623 HydrophobicContact CG2-CD1 4.21Å; T580-L623 HydrophobicContact CG2-CG 4.16Å; T580-L623 PolarHBondContact OG1-N 2.82Å | ||
| 581 | L | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.9 | 166.9 | -53.2 | 178.9 | 0 | 0 | 0 | 109.8 | T322 F550 F551 L561 V568 R570 Y571 V583 | T322-L581 HydrophobicContact CG2-CD2 4.03Å; F550-L581 CarbonylContact C-O 3.46Å; F550-L581 VanDerWaalsContact CA-O 3.28Å; F550-L581 WeakPolarHBondContact CA-O 3.27Å; F551-L581 HydrophobicContact CB-CB 4.22Å; F551-L581 HydrophobicContact CD1-CB 4.29Å; F551-L581 HydrophobicContact CD1-CD1 3.87Å; F551-L581 HydrophobicContact CD1-CG 3.98Å; F551-L581 HydrophobicContact CE1-CD1 4.32Å; F551-L581 PolarHBondContact N-O 3.37Å; F551-L581 PolarHBondContact O-N 3.21Å; L561-L581 HydrophobicContact CB-CD1 3.87Å; L561-L581 HydrophobicContact CD2-CD1 4.07Å; V568-L581 HydrophobicContact CG1-CB 4.02Å; V568-L581 HydrophobicContact CG1-CD1 4.17Å; R570-L581 WeakPolarHBondContact O-CD2 3.42Å; Y571-L581 HydrophobicContact CD1-CD1 4.38Å; L581-V583 PolarHBondContact O-N 2.93Å |
| 582 | Y | 98.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.6 | 169 | 176.6 | -120.7 | 0 | 0 | 0 | 110.5 | F309 E332 A333 D548 F550 P584 | F309-Y582 HydrophobicContact CZ-CD1 4.34Å; E332-Y582 HydrophobicContact CG-CD1 4.4Å; E332-Y582 HydrophobicContact CG-CG 4.31Å; A333-Y582 HydrophobicContact CB-CD2 3.96Å; A333-Y582 HydrophobicContact CB-CE2 3.59Å; D548-Y582 HydrophobicContact CB-CE2 3.85Å; D548-Y582 PolarHBondContact OD2-OH 2.77Å; F550-Y582 HydrophobicContact CD1-CD2 4.39Å; F550-Y582 AromaticContact CE1-CD2 3.79Å; F550-Y582 HydrophobicContact CE1-CD2 3.79Å; F550-Y582 HydrophobicContact CE1-CG 4.21Å; F550-Y582 HydrophobicContact CE2-CD2 4.29Å; F550-Y582 AromaticContact CZ-CD2 3.74Å; F550-Y582 HydrophobicContact CZ-CD2 3.74Å; Y582-P584 HydrophobicContact CE1-CB 3.93Å; Y582-P584 HydrophobicContact CE1-CG 4.44Å |
| 583 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 103 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 108 | D548 T549 F551 L563 V568 L581 L588 F618 | D548-V583 WeakPolarHBondContact CA-O 3.5Å; T549-V583 HydrophobicContact CG2-CB 3.68Å; T549-V583 HydrophobicContact CG2-CG1 3.96Å; T549-V583 HydrophobicContact CG2-CG2 4.35Å; T549-V583 PolarHBondContact N-O 3.39Å; T549-V583 PolarHBondContact O-N 3.41Å; F551-V583 HydrophobicContact CB-CG2 4.03Å; L563-V583 HydrophobicContact CD1-CB 4.4Å; L563-V583 HydrophobicContact CD1-CG1 3.55Å; L563-V583 HydrophobicContact CD1-CG2 3.88Å; V568-V583 HydrophobicContact CG1-CG2 4.08Å; L581-V583 PolarHBondContact O-N 2.93Å; V583-L588 HydrophobicContact CG1-CD1 4.17Å; V583-L588 HydrophobicContact CG1-CD2 4.23Å; V583-L588 HydrophobicContact CG1-CG 4.02Å; V583-F618 HydrophobicContact CG2-CE1 4.38Å |
| 584 | P | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -72.6 | 147 | 176.7 | 31.5 | -35.8 | 0 | 0 | 0 | 110.7 | P55 Y58 F309 D548 Y582 N586 M587 | P55-P584 HydrophobicContact CG-CB 3.67Å; P55-P584 HydrophobicContact CG-CG 3.64Å; Y58-P584 HydrophobicContact CE2-CB 3.87Å; F309-P584 HydrophobicContact CE1-CG 4.08Å; F309-P584 HydrophobicContact CZ-CG 3.94Å; D548-P584 VanDerWaalsContact OD1-CA 3.28Å; D548-P584 WeakPolarHBondContact OD1-CA 3.49Å; Y582-P584 HydrophobicContact CE1-CB 3.93Å; Y582-P584 HydrophobicContact CE1-CG 4.44Å; P584-N586 WeakPolarHBondContact CB-OD1 3.44Å; P584-N586 PolarHBondContact O-N 2.95Å; P584-M587 HydrophobicContact CG-CE 3.94Å; P584-M587 HydrophobicContact CG-CG 3.98Å; P584-M587 HydrophobicContact CG-SD 3.9Å; P584-M587 WeakPolarHBondContact O-CB 3.44Å; P584-M587 PolarHBondContact O-N 2.77Å | ||
| 585 | K | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 36 Ų | 36 | 30% | 0.296 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -58.1 | -27 | -172.4 | 75.3 | -174.5 | 171.5 | 179.1 | 0 | 115.4 | I57 Y58 I546 E547 D548 M587 L588 | I57-K585 HydrophobicContact CD1-CG 3.92Å; Y58-K585 WeakPolarHBondContact OH-CD 3.34Å; Y58-K585 WeakPolarHBondContact OH-CE 3.49Å; Y58-K585 VanDerWaalsContact OH-CG 3.29Å; Y58-K585 WeakPolarHBondContact OH-CG 3.23Å; I546-K585 HydrophobicContact CG2-CB 4.24Å; E547-K585 IonicContact OE1-NZ 3.87Å; E547-K585 WeakPolarHBondContact OE2-CD 3.47Å; E547-K585 IonicContact OE2-NZ 2.91Å; E547-K585 PolarHBondContact OE2-NZ 2.83Å; D548-K585 PolarHBondContact OD1-N 3.02Å; K585-M587 PolarHBondContact O-N 3.04Å; K585-L588 PolarHBondContact O-N 3.37Å |
| 586 | N | 96.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -71 | -10.1 | 177.1 | 66.3 | -60.7 | 0 | 0 | 0 | 113.8 | I57 P584 | I57-N586 HydrophobicContact CD1-CB 3.84Å; I57-N586 HydrophobicContact CG1-CB 4.42Å; P584-N586 WeakPolarHBondContact CB-OD1 3.44Å; P584-N586 PolarHBondContact O-N 2.95Å |
| 587 | M | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -88.1 | -8.7 | 169.1 | -63.9 | -175.5 | -179.6 | 0 | 0 | 112.5 | F309 N564 H566 V568 P584 K585 | F309-M587 HydrophobicContact CD1-CE 3.56Å; F309-M587 HydrophobicContact CD1-SD 4.5Å; F309-M587 HydrophobicContact CE1-CE 3.65Å; F309-M587 HydrophobicContact CE1-SD 4.38Å; F309-M587 HydrophobicContact CG-CE 4.12Å; F309-M587 HydrophobicContact CZ-CE 4.27Å; N564-M587 PolarHBondContact ND2-O 3.23Å; H566-M587 HydrophobicContact CB-CB 4.29Å; H566-M587 HydrophobicContact CB-CE 4.38Å; H566-M587 HydrophobicContact CB-CG 3.86Å; H566-M587 HydrophobicContact CB-SD 3.95Å; V568-M587 HydrophobicContact CG2-SD 4.05Å; P584-M587 HydrophobicContact CG-CE 3.94Å; P584-M587 HydrophobicContact CG-CG 3.98Å; P584-M587 HydrophobicContact CG-SD 3.9Å; P584-M587 WeakPolarHBondContact O-CB 3.44Å; P584-M587 PolarHBondContact O-N 2.77Å; K585-M587 PolarHBondContact O-N 3.04Å |
| 588 | L | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -106.2 | 163.2 | 176.5 | -62 | 175.2 | 0 | 0 | 0 | 110.3 | Y368 L542 I546 T549 L563 V583 K585 | Y368-L588 HydrophobicContact CD2-CD1 4.47Å; Y368-L588 HydrophobicContact CE2-CD1 3.68Å; L542-L588 HydrophobicContact CD1-CB 4.19Å; L542-L588 HydrophobicContact CD1-CD1 4.14Å; L542-L588 HydrophobicContact CD1-CD2 4.17Å; L542-L588 HydrophobicContact CD1-CG 4.41Å; I546-L588 HydrophobicContact CG2-CB 3.62Å; I546-L588 HydrophobicContact CG2-CD1 4.49Å; T549-L588 HydrophobicContact CG2-CD1 4.03Å; L563-L588 HydrophobicContact CD1-CD2 4.18Å; V583-L588 HydrophobicContact CG1-CD1 4.17Å; V583-L588 HydrophobicContact CG1-CD2 4.23Å; V583-L588 HydrophobicContact CG1-CG 4.02Å; K585-L588 PolarHBondContact O-N 3.37Å |
| 589 | R | 96.7 | Very high | 97.4 | Very high | 138 Ų | 138 | 32.2 Ų | 32.2 | 52% | 0.521 | 16% | 0.155 | S | C | . | . | trans | -132.9 | 149.1 | -179.6 | -59.9 | 178.2 | -174.1 | 178.7 | 3.9 | 109.9 | I546 N564 N593 | I546-R589 WeakPolarHBondContact CD1-O 3.44Å; N564-R589 PolarHBondContact O-NH2 3.13Å; R589-N593 PolarHBondContact N-OD1 3.3Å; R589-N593 PolarHBondContact O-ND2 2.81Å; R589-N593 PolarHBondContact O-OD1 3.2Å | ||
| 590 | Q | 96.6 | Very high | 97.5 | Very high | 138 Ų | 138 | 31 Ų | 31 | 65% | 0.645 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -65.3 | 135.6 | 163.8 | 178.7 | 178.3 | -10.1 | 0 | 0 | 109 | I546 | I546-Q590 HydrophobicContact CG1-CB 4.14Š|
| 591 | G | 96.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | -126.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L541 L542 N593 | L541-G591 WeakPolarHBondContact CA-O 3.35Å; L542-G591 PolarHBondContact N-O 3.29Å; L542-G591 WeakPolarHBondContact O-CA 3.48Å; L542-G591 PolarHBondContact O-N 2.88Å; G591-N593 PolarHBondContact O-N 3.36Å; G591-N593 PolarHBondContact O-ND2 2.88Å |
| 592 | N | 96.4 | Very high | 96.7 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 69% | 0.69 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.2 | -169.3 | -68 | -47.6 | 0 | 0 | 0 | 112.6 | L541 | L541-N592 WeakPolarHBondContact CD2-OD1 3.43Å |
| 593 | N | 97.6 | Very high | 96 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.2 | 173.2 | -68.2 | -96.3 | 0 | 0 | 0 | 110.1 | D539 F540 L542 N564 R589 G591 | D539-N593 WeakPolarHBondContact CA-O 3.45Å; F540-N593 HydrophobicContact CD1-CB 3.99Å; F540-N593 HydrophobicContact CD2-CB 3.95Å; F540-N593 HydrophobicContact CE1-CB 3.58Å; F540-N593 HydrophobicContact CE2-CB 3.56Å; F540-N593 HydrophobicContact CG-CB 4.16Å; F540-N593 HydrophobicContact CZ-CB 3.36Å; F540-N593 PolarHBondContact N-O 3.38Å; F540-N593 PolarHBondContact O-N 3.12Å; L542-N593 WeakPolarHBondContact CG-ND2 3.11Å; N564-N593 PolarHBondContact ND2-OD1 3.15Å; N564-N593 VanDerWaalsContact OD1-CA 3.28Å; N564-N593 WeakPolarHBondContact OD1-CA 3.47Å; R589-N593 PolarHBondContact N-OD1 3.3Å; R589-N593 PolarHBondContact O-ND2 2.81Å; R589-N593 PolarHBondContact O-OD1 3.2Å; G591-N593 PolarHBondContact O-N 3.36Å; G591-N593 PolarHBondContact O-ND2 2.88Å |
| 594 | R | 97.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.1 | 174.2 | 178.5 | 171.1 | -67.5 | 175 | -1.8 | 110.9 | F511 Y515 A538 D539 N564 I596 | F511-R594 HydrophobicContact CD1-CB 4.27Å; F511-R594 HydrophobicContact CD1-CG 4.08Å; F511-R594 HydrophobicContact CE1-CB 3.84Å; F511-R594 HydrophobicContact CE1-CG 3.67Å; F511-R594 WeakPolarHBondContact CE1-O 3.4Å; F511-R594 HydrophobicContact CZ-CG 4.5Å; Y515-R594 VanDerWaalsContact CE2-NH2 3.27Å; Y515-R594 WeakPolarHBondContact OH-CD 3.48Å; Y515-R594 PolarHBondContact OH-NE 2.77Å; A538-R594 CarbonylContact O-C 3.54Å; A538-R594 WeakPolarHBondContact O-CA 3.39Å; D539-R594 WeakPolarHBondContact OD1-CB 3.41Å; D539-R594 WeakPolarHBondContact OD1-CG 3.34Å; D539-R594 IonicContact OD1-CZ 2.71Å; D539-R594 IonicContact OD1-NE 3.08Å; D539-R594 PolarHBondContact OD1-NE 2.89Å; D539-R594 IonicContact OD1-NH2 3.72Å; D539-R594 PolarHBondContact OD1-NH2 3.04Å; D539-R594 IonicContact OD2-CZ 3.08Å; D539-R594 IonicContact OD2-NE 2.63Å; D539-R594 IonicContact OD2-NH2 2.6Å; D539-R594 PolarHBondContact OD2-NH2 3.01Å; N564-R594 PolarHBondContact N-O 3.2Å; N564-R594 PolarHBondContact OD1-N 2.77Å; R594-I596 HydrophobicContact CG-CG1 4.14Å |
| 595 | A | 97.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L371 T537 A538 F540 Y562 L563 | L371-A595 HydrophobicContact CD2-CB 4.09Å; T537-A595 CarbonylContact C-O 3.44Å; T537-A595 WeakPolarHBondContact CA-O 3.37Å; T537-A595 PolarHBondContact OG1-O 3.1Å; A538-A595 PolarHBondContact N-O 2.74Å; A538-A595 PolarHBondContact O-N 2.8Å; F540-A595 HydrophobicContact CE1-CB 4.09Å; Y562-A595 WeakPolarHBondContact O-CA 3.46Å; L563-A595 HydrophobicContact CD2-CB 3.6Å |
| 596 | I | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132 | 167.9 | -55.5 | -175.5 | 0 | 0 | 0 | 107.8 | I507 L510 F511 I535 Y536 Y562 R594 | I507-I596 HydrophobicContact CG2-CB 4.27Å; I507-I596 HydrophobicContact CG2-CG2 3.5Å; I507-I596 VanDerWaalsContact CG2-CG2 3.5Å; L510-I596 HydrophobicContact CB-CD1 3.61Å; L510-I596 HydrophobicContact CD1-CG2 4.32Å; F511-I596 HydrophobicContact CD1-CD1 4.34Å; F511-I596 HydrophobicContact CD2-CD1 3.73Å; F511-I596 HydrophobicContact CD2-CG1 4.47Å; F511-I596 HydrophobicContact CE1-CD1 4.22Å; F511-I596 HydrophobicContact CE1-CG1 4.2Å; F511-I596 HydrophobicContact CE2-CB 4.08Å; F511-I596 HydrophobicContact CE2-CD1 3.6Å; F511-I596 HydrophobicContact CE2-CG1 3.86Å; F511-I596 HydrophobicContact CG-CD1 4.11Å; F511-I596 HydrophobicContact CZ-CB 4.09Å; F511-I596 HydrophobicContact CZ-CD1 3.86Å; F511-I596 HydrophobicContact CZ-CG1 3.7Å; I535-I596 HydrophobicContact CG2-CG2 3.69Å; Y536-I596 CarbonylContact O-C 3.54Å; Y536-I596 WeakPolarHBondContact O-CA 3.47Å; Y562-I596 WeakPolarHBondContact CB-O 2.93Å; Y562-I596 PolarHBondContact N-O 2.88Å; Y562-I596 PolarHBondContact O-N 3.35Å; R594-I596 HydrophobicContact CG-CG1 4.14Å |
| 597 | I | 97.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.9 | 178.7 | -63.9 | 177.4 | 0 | 0 | 0 | 108.6 | L373 I535 Y536 F551 W556 Q560 L561 Y571 E599 I616 | L373-I597 HydrophobicContact CD2-CD1 3.59Å; L373-I597 HydrophobicContact CD2-CG1 4.07Å; I535-I597 CarbonylContact C-O 3.52Å; I535-I597 VanDerWaalsContact CA-O 3.3Å; I535-I597 WeakPolarHBondContact CA-O 3.22Å; Y536-I597 PolarHBondContact N-O 2.59Å; Y536-I597 PolarHBondContact O-N 3.18Å; F551-I597 HydrophobicContact CE2-CD1 3.8Å; F551-I597 HydrophobicContact CZ-CD1 3.66Å; W556-I597 HydrophobicContact CE3-CG2 4.37Å; W556-I597 HydrophobicContact CH2-CD1 4.13Å; W556-I597 HydrophobicContact CZ3-CB 4.41Å; W556-I597 HydrophobicContact CZ3-CD1 4.07Å; W556-I597 HydrophobicContact CZ3-CG2 3.76Å; Q560-I597 WeakPolarHBondContact O-CA 3.46Å; L561-I597 HydrophobicContact CD1-CD1 4.17Å; L561-I597 HydrophobicContact CD1-CG1 3.72Å; Y571-I597 HydrophobicContact CE1-CG2 3.9Å; Y571-I597 WeakPolarHBondContact OH-CG2 3.36Å; I597-E599 HydrophobicContact CG2-CB 4.38Å; I597-I616 HydrophobicContact CD1-CG2 4.25Å |
| 598 | L | 97.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 105.3 | 160.3 | 173.5 | 57.7 | 0 | 0 | 0 | 107.9 | L379 I507 P533 I535 G559 Q560 Y600 | L379-L598 HydrophobicContact CB-CD1 4.43Å; L379-L598 HydrophobicContact CD1-CD1 3.8Å; L379-L598 HydrophobicContact CD1-CD2 3.98Å; I507-L598 HydrophobicContact CD1-CB 4.17Å; I507-L598 HydrophobicContact CD1-CD2 4.09Å; I507-L598 HydrophobicContact CG1-CB 4.18Å; I507-L598 HydrophobicContact CG1-CD2 4.16Å; P533-L598 HydrophobicContact CB-CD1 4.47Å; I535-L598 HydrophobicContact CG1-CD1 4.09Å; G559-L598 CarbonylContact C-O 3.49Å; G559-L598 WeakPolarHBondContact CA-O 3.31Å; Q560-L598 PolarHBondContact N-O 2.79Å; Q560-L598 PolarHBondContact O-N 2.79Å; L598-Y600 HydrophobicContact CD1-CE1 4.43Å; L598-Y600 HydrophobicContact CD2-CD1 4.47Å; L598-Y600 HydrophobicContact CD2-CE1 3.55Å; L598-Y600 HydrophobicContact CD2-CE2 4.37Å; L598-Y600 VanDerWaalsContact CD2-CZ 3.47Å; L598-Y600 VanDerWaalsContact CD2-OH 3.26Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.41Å; L598-Y600 HydrophobicContact CG-CD1 4.32Å; L598-Y600 HydrophobicContact CG-CE1 3.83Å; L598-Y600 HydrophobicContact CG-CE2 4.31Å |
| 599 | E | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.1 | 173.8 | 173.5 | 58.6 | -141.2 | 0 | 0 | 108.9 | F531 P533 T534 Y536 W556 K558 Y571 I597 E601 N602 | F531-E599 HydrophobicContact CE1-CG 4.15Å; F531-E599 HydrophobicContact CE2-CG 4.46Å; F531-E599 HydrophobicContact CZ-CB 4.16Å; F531-E599 HydrophobicContact CZ-CG 3.65Å; P533-E599 CarbonylContact C-O 3.38Å; P533-E599 VanDerWaalsContact CA-O 3.26Å; P533-E599 WeakPolarHBondContact CA-O 3.33Å; T534-E599 PolarHBondContact N-O 2.92Å; T534-E599 PolarHBondContact O-N 2.93Å; Y536-E599 HydrophobicContact CD2-CB 4.12Å; Y536-E599 HydrophobicContact CE2-CB 4.05Å; W556-E599 HydrophobicContact CE3-CB 4.18Å; W556-E599 HydrophobicContact CE3-CG 4.17Å; W556-E599 HydrophobicContact CZ3-CB 4.05Å; W556-E599 HydrophobicContact CZ3-CG 4.45Å; K558-E599 PolarHBondContact N-OE1 3.43Å; Y571-E599 WeakPolarHBondContact CE2-OE2 3.48Å; Y571-E599 VanDerWaalsContact CZ-OE2 3.25Å; Y571-E599 PolarHBondContact OH-OE2 2.85Å; I597-E599 HydrophobicContact CG2-CB 4.38Å; E599-E601 WeakPolarHBondContact OE1-CA 3.23Å; E599-E601 PolarHBondContact OE1-N 3.1Å; E599-N602 PolarHBondContact OE1-N 3Å |
| 600 | Y | 96.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -97.1 | -26 | -177.6 | -63.2 | -74.5 | 0 | 0 | 0 | 113.9 | T409 Y435 L469 P533 K558 L598 | T409-Y600 HydrophobicContact CG2-CE1 4.37Å; T409-Y600 PolarHBondContact OG1-OH 2.62Å; Y435-Y600 HydrophobicContact CD2-CD1 4.12Å; Y435-Y600 HydrophobicContact CE1-CG 4.37Å; Y435-Y600 AromaticContact CE2-CD1 3.59Å; Y435-Y600 HydrophobicContact CE2-CD1 3.59Å; Y435-Y600 HydrophobicContact CE2-CE1 4.22Å; Y435-Y600 AromaticContact CE2-CG 3.94Å; Y435-Y600 HydrophobicContact CE2-CG 3.94Å; Y435-Y600 AromaticContact CZ-CD1 3.85Å; Y435-Y600 AromaticContact CZ-CG 3.71Å; Y435-Y600 VanDerWaalsContact OH-CB 3.22Å; Y435-Y600 WeakPolarHBondContact OH-CB 3.05Å; L469-Y600 HydrophobicContact CD2-CD1 4.09Å; L469-Y600 HydrophobicContact CD2-CE1 3.99Å; P533-Y600 HydrophobicContact CB-CD1 4.29Å; P533-Y600 HydrophobicContact CG-CD1 4.38Å; K558-Y600 WeakPolarHBondContact O-CB 2.72Å; K558-Y600 PolarHBondContact O-N 2.85Å; L598-Y600 HydrophobicContact CD1-CE1 4.43Å; L598-Y600 HydrophobicContact CD2-CD1 4.47Å; L598-Y600 HydrophobicContact CD2-CE1 3.55Å; L598-Y600 HydrophobicContact CD2-CE2 4.37Å; L598-Y600 VanDerWaalsContact CD2-CZ 3.47Å; L598-Y600 VanDerWaalsContact CD2-OH 3.26Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.41Å; L598-Y600 HydrophobicContact CG-CD1 4.32Å; L598-Y600 HydrophobicContact CG-CE1 3.83Å; L598-Y600 HydrophobicContact CG-CE2 4.31Å |
| 601 | E | 92.5 | Very high | 85.1 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -112.7 | -74.8 | -170.9 | -76.4 | -173.7 | -151.4 | 0 | 0 | 114.4 | F531 K558 W572 R574 E599 | F531-E601 VanDerWaalsContact CB-O 3.31Å; F531-E601 WeakPolarHBondContact CB-O 3.32Å; F531-E601 WeakPolarHBondContact CD1-O 3.48Å; F531-E601 WeakPolarHBondContact CE1-O 3.36Å; F531-E601 WeakPolarHBondContact CG-O 3.46Å; K558-E601 HydrophobicContact CB-CB 4.33Å; K558-E601 HydrophobicContact CB-CG 3.88Å; K558-E601 WeakPolarHBondContact CB-OE1 3.43Å; W572-E601 PolarHBondContact NE1-OE1 3.15Å; R574-E601 WeakPolarHBondContact CD-OE2 3.47Å; R574-E601 IonicContact CZ-OE2 3.65Å; R574-E601 IonicContact NE-OE2 2.69Å; R574-E601 IonicContact NH1-OE2 2.82Å; R574-E601 PolarHBondContact NH1-OE2 2.8Å; E599-E601 WeakPolarHBondContact OE1-CA 3.23Å; E599-E601 PolarHBondContact OE1-N 3.1Å |
| 602 | N | 87.9 | Confident | 83.9 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -162 | 126 | 179.3 | -175.9 | 0.6 | 0 | 0 | 0 | 109.7 | W556 G557 E599 G604 | W556-N602 CarbonylContact C-O 3.56Å; W556-N602 WeakPolarHBondContact CA-O 3.46Å; G557-N602 PolarHBondContact N-O 3.34Å; E599-N602 PolarHBondContact OE1-N 3Å; N602-G604 VanDerWaalsContact C-N 3.35Å; N602-G604 PolarHBondContact O-N 2.77Å | ||
| 603 | P | 83.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 82.7 | 166.3 | 35.4 | -38.9 | 0 | 0 | 0 | 110.1 | F531 Y536 W556 Q605 C606 C614 | F531-P603 HydrophobicContact CE2-CG 4Å; Y536-P603 HydrophobicContact CE2-CB 4.49Å; Y536-P603 HydrophobicContact CE2-CG 4.25Å; Y536-P603 WeakPolarHBondContact OH-CG 3.23Å; W556-P603 HydrophobicContact CD2-CB 3.98Å; W556-P603 HydrophobicContact CE3-CB 4.05Å; W556-P603 HydrophobicContact CH2-CB 4.22Å; W556-P603 HydrophobicContact CZ2-CB 4.15Å; W556-P603 HydrophobicContact CZ3-CB 4.17Å; P603-Q605 PolarHBondContact O-N 2.79Å; P603-C606 VanDerWaalsContact CG-SG 3.55Å; P603-C606 PolarHBondContact O-SG 2.7Å; P603-C614 HydrophobicContact CB-CB 4.11Å |
| 604 | G | 72.5 | Confident | 82.8 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -66.6 | 8.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | G555 N602 | G555-G604 WeakPolarHBondContact O-CA 2.89Å; G555-G604 PolarHBondContact O-N 3.22Å; N602-G604 VanDerWaalsContact C-N 3.35Å; N602-G604 PolarHBondContact O-N 2.77Å |
| 605 | Q | 71.8 | Confident | 82.5 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | trans | -132.9 | 81.1 | 170.7 | -70.1 | -164.1 | -8.1 | 0 | 0 | 111.2 | K554 P603 C614 A615 | K554-Q605 VanDerWaalsContact O-CD 3.25Å; K554-Q605 VanDerWaalsContact O-CG 3.28Å; K554-Q605 WeakPolarHBondContact O-CG 3.45Å; K554-Q605 PolarHBondContact O-OE1 2.91Å; P603-Q605 PolarHBondContact O-N 2.79Å; Q605-C614 WeakPolarHBondContact O-CA 3.22Å; Q605-C614 WeakPolarHBondContact O-CB 3.43Å; Q605-A615 PolarHBondContact O-N 2.63Å | ||
| 606 | C | 78.6 | Confident | 82.4 | Confident | 38 Ų | 38 | 39 Ų | 39 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -104.9 | 144.7 | 170.6 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | P603 E611 V613 C614 | P603-C606 VanDerWaalsContact CG-SG 3.55Å; P603-C606 PolarHBondContact O-SG 2.7Å; C606-E611 HydrophobicContact CB-CB 4.05Å; C606-E611 HydrophobicContact CB-CG 4.03Å; C606-V613 CarbonylContact C-O 3.49Å; C606-V613 WeakPolarHBondContact CA-O 3.39Å; C606-C614 HydrophobicContact CB-CB 4Å; C606-C614 WeakPolarHBondContact CB-SG 3.42Å; C606-C614 WeakPolarHBondContact SG-CB 2.98Å; C606-C614 CovalentContact SG-SG 2.05Å; C606-C614 PolarHBondContact SG-SG 2.71Å |
| 607 | V | 70.6 | Confident | 82.3 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -80.7 | -24.3 | -175.8 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | V613 | V607-V613 HydrophobicContact CB-CB 4.39Å; V607-V613 HydrophobicContact CB-CG1 4.27Å; V607-V613 WeakPolarHBondContact CB-O 3.46Å; V607-V613 HydrophobicContact CG2-CG1 4.14Å; V607-V613 PolarHBondContact N-O 2.7Å |
| 608 | D | 68.5 | Low | 82.3 | Confident | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -120.2 | 156.5 | -179.8 | 70.8 | -44.4 | 0 | 0 | 0 | 112.4 | H610 E611 T612 V613 | D608-H610 PolarHBondContact O-N 2.89Å; D608-E611 PolarHBondContact O-N 3.47Å; D608-E611 VanDerWaalsContact O-N 3.15Å; D608-E611 PolarHBondContact OD1-N 2.92Å; D608-T612 VanDerWaalsContact CG-N 3.33Å; D608-T612 PolarHBondContact OD1-N 3.17Å; D608-T612 WeakPolarHBondContact OD2-CB 3.29Å; D608-T612 PolarHBondContact OD2-N 3.39Å; D608-T612 PolarHBondContact OD2-OG1 2.92Å; D608-V613 PolarHBondContact OD1-N 2.97Å |
| 609 | Q | 60.9 | Low | 82.3 | Confident | 166 Ų | 166 | 42.7 Ų | 42.7 | 78% | 0.776 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.9 | -179.2 | -66 | -178.9 | -6.7 | 0 | 0 | 113.7 | ||
| 610 | H | 63.4 | Low | 82.4 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3.2 | 180 | -60.7 | -68.7 | 0 | 0 | 0 | 113 | G525 D608 T612 | G525-H610 PolarHBondContact O-ND1 2.97Å; D608-H610 PolarHBondContact O-N 2.89Å; H610-T612 HydrophobicContact CB-CG2 3.78Å; H610-T612 PolarHBondContact O-N 3.22Å; H610-T612 VanDerWaalsContact O-N 3.15Å |
| 611 | E | 67.1 | Low | 82.4 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 54.8 | 29.5 | -177.1 | -58.4 | 175.1 | -179.4 | 0 | 0 | 112.7 | R523 Y536 C606 D608 C614 | R523-E611 IonicContact CZ-OE2 3.86Å; R523-E611 IonicContact NH1-OE2 2.66Å; R523-E611 PolarHBondContact NH1-OE2 2.9Å; Y536-E611 PolarHBondContact OH-O 2.76Å; C606-E611 HydrophobicContact CB-CB 4.05Å; C606-E611 HydrophobicContact CB-CG 4.03Å; D608-E611 PolarHBondContact O-N 3.47Å; D608-E611 VanDerWaalsContact O-N 3.15Å; D608-E611 PolarHBondContact OD1-N 2.92Å; E611-C614 PolarHBondContact O-SG 2.87Å |
| 612 | T | 70.4 | Confident | 82.5 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | trans | -84.2 | -22.5 | 179.7 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | R374 S375 R523 D608 H610 | R374-T612 CarbonylContact C-O 3.56Å; R374-T612 VanDerWaalsContact CA-O 3.25Å; R374-T612 WeakPolarHBondContact CA-O 3.31Å; S375-T612 PolarHBondContact N-O 3.39Å; R523-T612 HydrophobicContact CB-CG2 4.34Å; D608-T612 VanDerWaalsContact CG-N 3.33Å; D608-T612 PolarHBondContact OD1-N 3.17Å; D608-T612 WeakPolarHBondContact OD2-CB 3.29Å; D608-T612 PolarHBondContact OD2-N 3.39Å; D608-T612 PolarHBondContact OD2-OG1 2.92Å; H610-T612 HydrophobicContact CB-CG2 3.78Å; H610-T612 PolarHBondContact O-N 3.22Å; H610-T612 VanDerWaalsContact O-N 3.15Å | ||
| 613 | V | 80.8 | Confident | 82.9 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 111.8 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | K372 L373 C606 V607 D608 | K372-V613 HydrophobicContact CB-CG1 4.2Å; K372-V613 HydrophobicContact CD-CG1 4.47Å; L373-V613 CarbonylContact O-C 3.54Å; L373-V613 VanDerWaalsContact O-CA 3.28Å; L373-V613 WeakPolarHBondContact O-CA 3.14Å; C606-V613 CarbonylContact C-O 3.49Å; C606-V613 WeakPolarHBondContact CA-O 3.39Å; V607-V613 HydrophobicContact CB-CB 4.39Å; V607-V613 HydrophobicContact CB-CG1 4.27Å; V607-V613 WeakPolarHBondContact CB-O 3.46Å; V607-V613 HydrophobicContact CG2-CG1 4.14Å; V607-V613 PolarHBondContact N-O 2.7Å; D608-V613 PolarHBondContact OD1-N 2.97Å |
| 614 | C | 90.2 | Very high | 83 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 165.1 | 180 | -46 | 0 | 0 | 0 | 0 | 111.5 | K372 L373 Y536 W556 P603 Q605 C606 E611 | K372-C614 CarbonylContact C-O 3.54Å; K372-C614 WeakPolarHBondContact CA-O 3.46Å; L373-C614 PolarHBondContact N-O 3.1Å; L373-C614 PolarHBondContact O-N 2.86Å; Y536-C614 HydrophobicContact CE1-CB 4.48Å; W556-C614 HydrophobicContact CH2-CB 4.28Å; W556-C614 HydrophobicContact CZ2-CB 3.69Å; P603-C614 HydrophobicContact CB-CB 4.11Å; Q605-C614 WeakPolarHBondContact O-CA 3.22Å; Q605-C614 WeakPolarHBondContact O-CB 3.43Å; C606-C614 HydrophobicContact CB-CB 4Å; C606-C614 WeakPolarHBondContact CB-SG 3.42Å; C606-C614 WeakPolarHBondContact SG-CB 2.98Å; C606-C614 CovalentContact SG-SG 2.05Å; C606-C614 PolarHBondContact SG-SG 2.71Å; E611-C614 PolarHBondContact O-SG 2.87Å |
| 615 | A | 92 | Very high | 82.9 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | T370 L371 W556 Q605 | T370-A615 HydrophobicContact CG2-CB 3.92Å; L371-A615 WeakPolarHBondContact O-CA 3.37Å; W556-A615 PolarHBondContact NE1-O 2.9Å; Q605-A615 PolarHBondContact O-N 2.63Å |
| 616 | I | 94.4 | Very high | 82 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 169.5 | 165.8 | 64.5 | 87.8 | 0 | 0 | 0 | 108.9 | T370 L371 L373 F551 P553 W556 I597 F618 | T370-I616 CarbonylContact C-O 3.46Å; T370-I616 WeakPolarHBondContact CA-O 3.34Å; L371-I616 HydrophobicContact CB-CD1 3.75Å; L371-I616 HydrophobicContact CB-CG1 4.05Å; L371-I616 HydrophobicContact CD2-CD1 4.25Å; L371-I616 PolarHBondContact N-O 3.06Å; L371-I616 PolarHBondContact O-N 3.25Å; L373-I616 HydrophobicContact CD1-CB 4.18Å; L373-I616 HydrophobicContact CD1-CG1 3.64Å; L373-I616 HydrophobicContact CD1-CG2 3.75Å; F551-I616 HydrophobicContact CD2-CB 4.45Å; F551-I616 HydrophobicContact CD2-CD1 3.75Å; F551-I616 HydrophobicContact CD2-CG1 4.23Å; F551-I616 HydrophobicContact CE2-CB 3.77Å; F551-I616 HydrophobicContact CE2-CD1 3.74Å; F551-I616 HydrophobicContact CE2-CG1 3.68Å; F551-I616 HydrophobicContact CE2-CG2 3.82Å; F551-I616 HydrophobicContact CZ-CB 4.37Å; F551-I616 HydrophobicContact CZ-CG2 3.99Å; P553-I616 HydrophobicContact CB-CG2 4.5Å; W556-I616 HydrophobicContact CD2-CG2 4.22Å; W556-I616 HydrophobicContact CH2-CG2 4.27Å; W556-I616 HydrophobicContact CZ2-CG2 3.55Å; I597-I616 HydrophobicContact CD1-CG2 4.25Å; I616-F618 HydrophobicContact CD1-CD2 4.13Å; I616-F618 HydrophobicContact CD1-CE2 4Å; I616-F618 HydrophobicContact CD1-CZ 4.27Å |
| 617 | Q | 95.6 | Very high | 80.6 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.9 | 175.2 | -61.9 | -177.5 | -18.2 | 0 | 0 | 111.5 | G369 Y552 I619 | G369-Q617 CarbonylContact O-C 3.59Å; G369-Q617 WeakPolarHBondContact O-CA 3.45Å; Y552-Q617 HydrophobicContact CD1-CB 4.4Å; Y552-Q617 PolarHBondContact N-O 2.84Å; Y552-Q617 PolarHBondContact O-N 3.13Å; Q617-I619 HydrophobicContact CB-CG2 4.12Å |
| 618 | F | 98 | Very high | 79.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114 | 160.2 | -74.1 | -63.4 | 0 | 0 | 0 | 108.2 | A367 Y368 G369 L371 F540 T549 F550 F551 L563 V583 I616 | A367-F618 CarbonylContact C-O 3.43Å; A367-F618 WeakPolarHBondContact CA-O 3.47Å; Y368-F618 HydrophobicContact CD2-CB 4.19Å; Y368-F618 PolarHBondContact N-O 3.14Å; Y368-F618 VanDerWaalsContact N-O 3.16Å; G369-F618 PolarHBondContact N-O 2.96Å; G369-F618 PolarHBondContact O-N 3.27Å; L371-F618 HydrophobicContact CD2-CE2 3.86Å; F540-F618 HydrophobicContact CE2-CE2 4.24Å; F540-F618 HydrophobicContact CZ-CE2 4.01Å; F540-F618 HydrophobicContact CZ-CZ 4.37Å; T549-F618 HydrophobicContact CG2-CB 4.45Å; T549-F618 HydrophobicContact CG2-CD1 3.6Å; T549-F618 HydrophobicContact CG2-CE1 4.17Å; T549-F618 HydrophobicContact CG2-CG 4.27Å; F550-F618 CarbonylContact O-C 3.56Å; F550-F618 WeakPolarHBondContact O-CA 3.22Å; F551-F618 HydrophobicContact CB-CD1 4.32Å; F551-F618 HydrophobicContact CB-CE1 4.03Å; F551-F618 HydrophobicContact CD2-CE1 4.17Å; L563-F618 HydrophobicContact CD1-CE1 4.18Å; L563-F618 HydrophobicContact CD1-CZ 4.18Å; L563-F618 HydrophobicContact CD2-CZ 4.11Å; V583-F618 HydrophobicContact CG2-CE1 4.38Å; I616-F618 HydrophobicContact CD1-CD2 4.13Å; I616-F618 HydrophobicContact CD1-CE2 4Å; I616-F618 HydrophobicContact CD1-CZ 4.27Å |
| 619 | I | 97.9 | Very high | 78.2 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 170.5 | -179.5 | 64.1 | 175.3 | 0 | 0 | 0 | 110.4 | T549 F550 Y552 T580 Q617 F621 L623 | T549-I619 PolarHBondContact OG1-O 2.96Å; F550-I619 HydrophobicContact CB-CG1 3.92Å; F550-I619 PolarHBondContact N-O 3.39Å; F550-I619 PolarHBondContact O-N 3.09Å; Y552-I619 HydrophobicContact CD1-CD1 4.15Å; Y552-I619 HydrophobicContact CG-CD1 4.17Å; T580-I619 HydrophobicContact CG2-CD1 3.87Å; T580-I619 HydrophobicContact CG2-CG1 4.42Å; Q617-I619 HydrophobicContact CB-CG2 4.12Å; I619-F621 HydrophobicContact CD1-CD2 4.22Å; I619-F621 HydrophobicContact CD1-CE1 4.42Å; I619-F621 HydrophobicContact CD1-CE2 3.89Å; I619-F621 HydrophobicContact CD1-CZ 4Å; I619-F621 WeakPolarHBondContact CD1-O 3.43Å; I619-L623 HydrophobicContact CD1-CD1 4.14Å; I619-L623 HydrophobicContact CD1-CG 4.4Å |
| 620 | D | 97.2 | Very high | 77.1 | Confident | 79 Ų | 79 | 59 Ų | 59 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -104.6 | 6.1 | -172.7 | 55.4 | -11.6 | 0 | 0 | 0 | 114.8 | K365 A367 | K365-D620 HydrophobicContact CB-CB 3.82Å; K365-D620 WeakPolarHBondContact CB-O 3.42Å; A367-D620 HydrophobicContact CB-CB 4.17Å |
| 621 | F | 96.4 | Very high | 75.7 | Confident | 105 Ų | 105 | 70 Ų | 70 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -137.3 | 152 | 178.1 | 57.7 | -91.1 | 0 | 0 | 0 | 112.5 | F550 I619 L623 | F550-F621 VanDerWaalsContact CD2-C 3.45Å; I619-F621 HydrophobicContact CD1-CD2 4.22Å; I619-F621 HydrophobicContact CD1-CE1 4.42Å; I619-F621 HydrophobicContact CD1-CE2 3.89Å; I619-F621 HydrophobicContact CD1-CZ 4Å; I619-F621 WeakPolarHBondContact CD1-O 3.43Å; F621-L623 HydrophobicContact CD2-CD2 4.13Å; F621-L623 HydrophobicContact CD2-CG 4.22Å; F621-L623 HydrophobicContact CE2-CD1 4.36Å; F621-L623 HydrophobicContact CE2-CD2 3.7Å; F621-L623 HydrophobicContact CE2-CG 3.9Å |
| 622 | P | 96.1 | Very high | 76.1 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | trans | -74.9 | 149.1 | 173.9 | 30.6 | -33.6 | 0 | 0 | 0 | 111.6 | F550 | F550-P622 HydrophobicContact CD1-CB 4.17Å; F550-P622 HydrophobicContact CE1-CB 3.63Å; F550-P622 HydrophobicContact CE1-CG 4.4Å; F550-P622 HydrophobicContact CZ-CB 3.83Å; F550-P622 HydrophobicContact CZ-CG 4.09Å | ||
| 623 | L | 94.7 | Very high | 76.4 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | trans | -118.7 | 106.6 | 167.4 | -71.9 | 173.9 | 0 | 0 | 0 | 109.8 | Y552 L579 T580 I619 F621 | Y552-L623 HydrophobicContact CD1-CD1 4.49Å; Y552-L623 HydrophobicContact CD2-CD1 4.19Å; Y552-L623 HydrophobicContact CE1-CD1 4.17Å; Y552-L623 HydrophobicContact CE2-CD1 3.87Å; L579-L623 HydrophobicContact CB-CB 3.84Å; L579-L623 HydrophobicContact CD1-CB 4.37Å; L579-L623 PolarHBondContact N-O 2.78Å; T580-L623 HydrophobicContact CG2-CB 3.86Å; T580-L623 HydrophobicContact CG2-CD1 4.21Å; T580-L623 HydrophobicContact CG2-CG 4.16Å; T580-L623 PolarHBondContact OG1-N 2.82Å; I619-L623 HydrophobicContact CD1-CD1 4.14Å; I619-L623 HydrophobicContact CD1-CG 4.4Å; F621-L623 HydrophobicContact CD2-CD2 4.13Å; F621-L623 HydrophobicContact CD2-CG 4.22Å; F621-L623 HydrophobicContact CE2-CD1 4.36Å; F621-L623 HydrophobicContact CE2-CD2 3.7Å; F621-L623 HydrophobicContact CE2-CG 3.9Å | ||
| 624 | L | 86 | Confident | 76.2 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -121.8 | 88.3 | 175.7 | -56.7 | 177.8 | 0 | 0 | 0 | 108 | D325 Q578 | D325-L624 HydrophobicContact CB-CD1 3.96Å; Q578-L624 HydrophobicContact CB-CD2 4.09Å; Q578-L624 HydrophobicContact CG-CD2 4.12Å |
| 625 | S | 71.1 | Confident | 75.4 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | trans | 130.6 | 145.9 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | P577 L579 | P577-S625 PolarHBondContact O-N 2.96Å; P577-S625 VanDerWaalsContact O-N 3.11Å; L579-S625 WeakPolarHBondContact CD1-O 3.41Å | ||
| 626 | K | 52.7 | Low | 74.3 | Confident | 151 Ų | 151 | 82.1 Ų | 82.1 | 66% | 0.657 | 43% | 0.43 | S | S | * | . | cis | -148.8 | 167.8 | -0.8 | -119.6 | -176.6 | -175.5 | -179.1 | 0 | 108 | ||||
| 627 | P | 48.6 | Very low | 73 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | cis | -133.8 | 166.1 | 40.5 | 39.7 | -23.2 | 0 | 0 | 0 | 118.3 | ||||
| 628 | V | 44.5 | Very low | 71.4 | Confident | 86 Ų | 86 | 89.4 Ų | 89.4 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | trans | -91.9 | 114.6 | 139.1 | 171.6 | 0 | 0 | 0 | 0 | 108 | N275 | N275-V628 VanDerWaalsContact OD1-CG2 3.26Å; N275-V628 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 629 | S | 43.6 | Very low | 69.3 | Low | 103 Ų | 103 | 95.9 Ų | 95.9 | 72% | 0.72 | 51% | 0.506 | S | S | * | . | trans | -159.4 | 119.3 | 143.7 | 63 | 0 | 0 | 0 | 0 | 107 | ||||
| 630 | S | 37.8 | Very low | 67 | Low | 106 Ų | 106 | 102.4 Ų | 102.4 | 74% | 0.741 | 54% | 0.54 | S | S | * | . | cis | -154.4 | 152.4 | -19.1 | 49.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 631 | R | 34.8 | Very low | 64.2 | Low | 320 Ų | 320 | 104.5 Ų | 104.5 | 100% | 1.208 | 55% | 0.551 | S | S | * | * | trans | 5.6 | 0 | 164.6 | -72.5 | -176 | -178.8 | -177.7 | 1.5 | 119.1 |
Retrieved 631 of 631 residues in 2871.1 ms
(Link to these results)