| 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 | 36 | Very low | 35.4 | Very low | 233 Ų | 233 | 167.1 Ų | 167.1 | 100% | 1.148 | 84% | 0.84 | S | S | * | * | 0 | 115.4 | 0 | -77.4 | 164.4 | 68.4 | 0 | 0 | 108.4 | N3 | M1-N3 PolarHBondContact O-N 3.04Š| |||
| 2 | H | 35.8 | Very low | 35.7 | Very low | 194 Ų | 194 | 162.6 Ų | 162.6 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -73.4 | 105.4 | -178.3 | -131.5 | 62 | 0 | 0 | 0 | 108.7 | S4 | H2-S4 PolarHBondContact O-N 3.21Š| ||
| 3 | N | 35.2 | Very low | 36 | Very low | 144 Ų | 144 | 159 Ų | 159 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -97.1 | 82 | 172.8 | -97.7 | -8 | 0 | 0 | 0 | 109.5 | M1 K5 | M1-N3 PolarHBondContact O-N 3.04Å; N3-K5 VanDerWaalsContact C-N 3.33Å; N3-K5 PolarHBondContact O-N 2.99Å | ||
| 4 | S | 38.4 | Very low | 36.2 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -65.3 | 90.7 | 160.6 | 168.8 | 0 | 0 | 0 | 0 | 109 | H2 | H2-S4 PolarHBondContact O-N 3.21Š| ||
| 5 | K | 36.1 | Very low | 36.9 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -127.7 | 36.3 | 166.4 | -78.8 | -165.6 | 175.9 | -174.9 | 0 | 112.3 | N3 | N3-K5 VanDerWaalsContact C-N 3.33Å; N3-K5 PolarHBondContact O-N 2.99Å | ||
| 6 | W | 33.2 | Very low | 37.3 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -102.1 | 118 | 155.6 | -89 | 69.2 | 0 | 0 | 0 | 107 | I10 | W6-I10 HydrophobicContact CZ3-CD1 4.16Š| ||
| 7 | L | 36.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 166 | 21.4 | 144.1 | -88.6 | 165.5 | 0 | 0 | 0 | 116.7 | ||
| 8 | L | 35.1 | Very low | 39.1 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -125.3 | 11.4 | 176.9 | -90.9 | 160.9 | 0 | 0 | 0 | 117.5 | ||
| 9 | F | 33.9 | Very low | 40.3 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -118.9 | 17.5 | -178.1 | -97.5 | -80 | 0 | 0 | 0 | 116.7 | ||
| 10 | I | 33.6 | Very low | 41.5 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -111.5 | 3.7 | -176.8 | -60.3 | 179.7 | 0 | 0 | 0 | 114.3 | W6 | W6-I10 HydrophobicContact CZ3-CD1 4.16Š|
| 11 | A | 35.7 | Very low | 42.7 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -99.6 | -2.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 12 | T | 39.2 | Very low | 44.3 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -100.7 | -1.9 | -175.4 | 37.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 13 | V | 38.8 | Very low | 45.9 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 70% | 0.703 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -102.7 | -0.5 | -169.4 | -178.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 14 | V | 39.4 | Very low | 47.5 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -125.2 | -0.1 | -173.1 | -170.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 15 | F | 46.3 | Very low | 49.2 | Very low | 88 Ų | 88 | 108 Ų | 108 | 39% | 0.386 | 57% | 0.57 | S | S | . | * | trans | -103.2 | 8.7 | 173.2 | -69.7 | -64.9 | 0 | 0 | 0 | 115.2 | I17 K149 | F15-I17 PolarHBondContact O-N 2.66Å; F15-K149 HydrophobicContact CE1-CB 4.24Å; F15-K149 HydrophobicContact CE1-CD 3.77Å; F15-K149 HydrophobicContact CE1-CG 3.63Å; F15-K149 HydrophobicContact CZ-CG 4.35Å | ||
| 16 | L | 43.1 | Very low | 51.2 | Low | 146 Ų | 146 | 99 Ų | 99 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | trans | -70.9 | 58 | 164.4 | -67.7 | 168.3 | 0 | 0 | 0 | 111 | D18 | L16-D18 PolarHBondContact O-N 3.33Š| ||
| 17 | I | 50.7 | Low | 52.9 | Low | 40 Ų | 40 | 96.6 Ų | 96.6 | 21% | 0.205 | 52% | 0.524 | C | S | . | . | trans | -61.1 | 104 | 149 | -69.8 | 179.2 | 0 | 0 | 0 | 103.4 | F15 F19 V22 I143 | F15-I17 PolarHBondContact O-N 2.66Å; I17-F19 PolarHBondContact O-N 2.68Å; I17-V22 HydrophobicContact CG2-CG2 3.85Å; I17-I143 HydrophobicContact CB-CD1 4.48Å; I17-I143 HydrophobicContact CD1-CB 3.46Å; I17-I143 VanDerWaalsContact CD1-CB 3.46Å; I17-I143 HydrophobicContact CD1-CD1 3.88Å; I17-I143 HydrophobicContact CD1-CG1 3.71Å | ||
| 18 | D | 56.1 | Low | 54.6 | Low | 97 Ų | 97 | 94.6 Ų | 94.6 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | trans | -54 | 119.2 | -172.6 | -169 | -12.3 | 0 | 0 | 0 | 106.6 | L16 A20 V21 V22 | L16-D18 PolarHBondContact O-N 3.33Å; D18-A20 HydrophobicContact CB-CB 4.39Å; D18-A20 VanDerWaalsContact CG-CB 3.48Å; D18-A20 CarbonylContact O-C 3.5Å; D18-A20 PolarHBondContact O-N 3.28Å; D18-A20 WeakPolarHBondContact OD1-CB 3.3Å; D18-A20 PolarHBondContact OD1-N 2.82Å; D18-V21 HydrophobicContact CB-CG2 4.03Å; D18-V21 WeakPolarHBondContact O-CA 3.32Å; D18-V21 WeakPolarHBondContact O-CB 3.32Å; D18-V21 PolarHBondContact O-N 3.46Å; D18-V22 PolarHBondContact O-N 2.83Å | ||
| 19 | F | 62.8 | Low | 56.9 | Low | 65 Ų | 65 | 87.3 Ų | 87.3 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -47.7 | -28.7 | 172.9 | -88.4 | -85 | 0 | 0 | 0 | 110.3 | I17 R23 W153 L157 | I17-F19 PolarHBondContact O-N 2.68Å; F19-R23 WeakPolarHBondContact O-CB 3.04Å; F19-R23 PolarHBondContact O-N 3.1Å; F19-W153 HydrophobicContact CD1-CZ2 4.17Å; F19-W153 AromaticContact CD1-NE1 3.73Å; F19-W153 AromaticContact CE1-CE2 3.57Å; F19-W153 AromaticContact CE1-CZ2 3.57Å; F19-W153 HydrophobicContact CE1-CZ2 3.57Å; F19-W153 AromaticContact CE1-NE1 3.12Å; F19-W153 AromaticContact CE2-NE1 3.77Å; F19-W153 AromaticContact CZ-CD1 3.8Å; F19-W153 AromaticContact CZ-CE2 3.91Å; F19-W153 HydrophobicContact CZ-CZ2 4.33Å; F19-W153 AromaticContact CZ-NE1 3.16Å; F19-L157 HydrophobicContact CE1-CB 4.25Å; F19-L157 HydrophobicContact CE1-CD1 3.67Å; F19-L157 HydrophobicContact CE1-CD2 4.34Å; F19-L157 HydrophobicContact CE1-CG 4.29Å; F19-L157 HydrophobicContact CZ-CB 4.03Å; F19-L157 HydrophobicContact CZ-CD1 3.94Å; F19-L157 HydrophobicContact CZ-CG 4.48Å |
| 20 | A | 64.7 | Low | 59.3 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D18 G24 | D18-A20 HydrophobicContact CB-CB 4.39Å; D18-A20 VanDerWaalsContact CG-CB 3.48Å; D18-A20 CarbonylContact O-C 3.5Å; D18-A20 PolarHBondContact O-N 3.28Å; D18-A20 WeakPolarHBondContact OD1-CB 3.3Å; D18-A20 PolarHBondContact OD1-N 2.82Å; A20-G24 WeakPolarHBondContact O-CA 3.49Å; A20-G24 PolarHBondContact O-N 3.26Å |
| 21 | V | 65.5 | Low | 61.8 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 47% | 0.473 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | D18 R23 G24 E25 | D18-V21 HydrophobicContact CB-CG2 4.03Å; D18-V21 WeakPolarHBondContact O-CA 3.32Å; D18-V21 WeakPolarHBondContact O-CB 3.32Å; D18-V21 PolarHBondContact O-N 3.46Å; V21-R23 VanDerWaalsContact C-N 3.32Å; V21-R23 PolarHBondContact O-N 2.94Å; V21-G24 PolarHBondContact O-N 3.24Å; V21-E25 PolarHBondContact O-N 2.94Å |
| 22 | V | 70.8 | Confident | 64.2 | Low | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | I17 D18 L26 I141 L255 | I17-V22 HydrophobicContact CG2-CG2 3.85Å; D18-V22 PolarHBondContact O-N 2.83Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 PolarHBondContact O-N 3.05Å; V22-I141 HydrophobicContact CB-CD1 4.45Å; V22-I141 HydrophobicContact CB-CG2 4.42Å; V22-I141 HydrophobicContact CG1-CD1 3.95Å; V22-I141 HydrophobicContact CG1-CG2 3.91Å; V22-I141 HydrophobicContact CG2-CG2 3.96Å; V22-L255 HydrophobicContact CB-CD2 4.47Å; V22-L255 HydrophobicContact CG1-CD1 3.91Å; V22-L255 HydrophobicContact CG1-CD2 3.75Å; V22-L255 HydrophobicContact CG1-CG 4.35Å |
| 23 | R | 68.7 | Low | 66.6 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.3 | -172 | -175.1 | -81.4 | 178.6 | -3.7 | 111.4 | F19 V21 L26 Y27 Y254 H257 D274 | F19-R23 WeakPolarHBondContact O-CB 3.04Å; F19-R23 PolarHBondContact O-N 3.1Å; V21-R23 VanDerWaalsContact C-N 3.32Å; V21-R23 PolarHBondContact O-N 2.94Å; R23-L26 PolarHBondContact O-N 3.16Å; R23-Y27 PolarHBondContact O-N 2.93Å; R23-Y254 PolarHBondContact NH2-OH 2.85Å; R23-H257 PolarHBondContact NE-CE1 3.05Å; R23-D274 IonicContact NH1-OD2 2.79Å; R23-D274 IonicContact NH2-OD1 3.4Å; R23-D274 IonicContact NH2-OD2 3.93Å; R23-D274 PolarHBondContact NH2-OD2 3.24Å |
| 24 | G | 69.7 | Low | 69 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 46% | 0.464 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | A20 V21 L26 | A20-G24 WeakPolarHBondContact O-CA 3.49Å; A20-G24 PolarHBondContact O-N 3.26Å; V21-G24 PolarHBondContact O-N 3.24Å; G24-L26 VanDerWaalsContact C-N 3.32Å; G24-L26 PolarHBondContact O-N 3.23Å |
| 25 | E | 74 | Confident | 71.6 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 177.4 | -71.7 | -169.8 | 158.5 | 0 | 0 | 112.2 | V21 R139 I141 | V21-E25 PolarHBondContact O-N 2.94Å; E25-R139 PolarHBondContact O-NH1 3.31Å; E25-R139 PolarHBondContact O-NH2 3.5Å; E25-I141 HydrophobicContact CB-CD1 3.6Å; E25-I141 HydrophobicContact CG-CD1 4.37Å; E25-I141 VanDerWaalsContact OE2-CA 3.27Å; E25-I141 WeakPolarHBondContact OE2-CA 3.09Å; E25-I141 WeakPolarHBondContact OE2-CD1 3.25Å; E25-I141 PolarHBondContact OE2-N 2.94Å |
| 26 | L | 77.2 | Confident | 73.8 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -83.8 | -22.7 | -177.1 | -74.9 | 168.2 | 0 | 0 | 0 | 114.9 | V22 R23 G24 N28 L29 L136 R139 I141 L255 V256 | V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 PolarHBondContact O-N 3.05Å; R23-L26 PolarHBondContact O-N 3.16Å; G24-L26 VanDerWaalsContact C-N 3.32Å; G24-L26 PolarHBondContact O-N 3.23Å; L26-N28 PolarHBondContact O-N 3Å; L26-L29 HydrophobicContact CD2-CD1 3.97Å; L26-L29 PolarHBondContact O-N 3.17Å; L26-L136 HydrophobicContact CD1-CD2 3.53Å; L26-L136 HydrophobicContact CD2-CD2 4.06Å; L26-L136 HydrophobicContact CG-CD2 4.35Å; L26-R139 HydrophobicContact CD2-CB 4.09Å; L26-R139 HydrophobicContact CD2-CG 3.87Å; L26-I141 HydrophobicContact CD1-CD1 4.15Å; L26-I141 HydrophobicContact CG-CD1 3.92Å; L26-L255 HydrophobicContact CD1-CB 3.56Å; L26-L255 HydrophobicContact CD1-CD1 3.81Å; L26-L255 HydrophobicContact CD1-CG 4.28Å; L26-V256 HydrophobicContact CB-CG2 4.01Å; L26-V256 HydrophobicContact CD1-CG2 4.45Å; L26-V256 HydrophobicContact CD2-CG2 4.38Å |
| 27 | Y | 69.4 | Low | 76.1 | Confident | 164 Ų | 164 | 61.5 Ų | 61.5 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -31 | -177.4 | -169.7 | -99.8 | 0 | 0 | 0 | 114 | R23 L29 | R23-Y27 PolarHBondContact O-N 2.93Å; Y27-L29 VanDerWaalsContact C-N 3.3Å; Y27-L29 PolarHBondContact O-N 3.39Å |
| 28 | N | 72.4 | Confident | 78.2 | Confident | 126 Ų | 126 | 59.6 Ų | 59.6 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.5 | -179 | -67.2 | -25.6 | 0 | 0 | 0 | 115.2 | L26 T30 | L26-N28 PolarHBondContact O-N 3Å; N28-T30 PolarHBondContact O-N 2.75Å |
| 29 | L | 83 | Confident | 80 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | trans | -71.2 | 118 | 173.5 | -74 | -178.3 | 0 | 0 | 0 | 111.4 | L26 Y27 I34 L135 V256 | L26-L29 HydrophobicContact CD2-CD1 3.97Å; L26-L29 PolarHBondContact O-N 3.17Å; Y27-L29 VanDerWaalsContact C-N 3.3Å; Y27-L29 PolarHBondContact O-N 3.39Å; L29-I34 HydrophobicContact CB-CD1 4.05Å; L29-I34 HydrophobicContact CB-CG1 3.83Å; L29-I34 HydrophobicContact CD1-CG1 4.27Å; L29-L135 HydrophobicContact CD1-CD1 4.42Å; L29-L135 HydrophobicContact CD1-CD2 4.41Å; L29-V256 HydrophobicContact CB-CG1 4.01Å; L29-V256 HydrophobicContact CD1-CG1 4.34Å; L29-V256 HydrophobicContact CD1-CG2 3.89Å | ||
| 30 | T | 84.5 | Confident | 81.5 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | trans | -61 | 148.1 | 170.1 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | N28 S32 R33 I34 | N28-T30 PolarHBondContact O-N 2.75Å; T30-S32 PolarHBondContact O-N 3.28Å; T30-S32 VanDerWaalsContact O-N 3.14Å; T30-R33 PolarHBondContact O-N 3.04Å; T30-R33 VanDerWaalsContact O-N 3.11Å; T30-R33 WeakPolarHBondContact OG1-CG 3.41Å; T30-R33 PolarHBondContact OG1-N 3.48Å; T30-I34 WeakPolarHBondContact O-CG1 3.49Å; T30-I34 PolarHBondContact O-N 2.77Å; T30-I34 VanDerWaalsContact O-N 3.12Å | ||
| 31 | T | 85.3 | Confident | 83 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.3 | -33.6 | 173.8 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | N35 K260 W267 | T31-N35 PolarHBondContact O-N 3.3Å; T31-N35 PolarHBondContact O-ND2 3.49Å; T31-N35 VanDerWaalsContact O-ND2 3.09Å; T31-K260 HydrophobicContact CG2-CG 4.24Å; T31-K260 WeakPolarHBondContact CG2-O 3.3Å; T31-W267 HydrophobicContact CG2-CZ3 4.18Å |
| 32 | S | 87.4 | Confident | 84.4 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 53% | 0.531 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -51.6 | 176.8 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | T30 I34 N35 D36 | T30-S32 PolarHBondContact O-N 3.28Å; T30-S32 VanDerWaalsContact O-N 3.14Å; S32-I34 VanDerWaalsContact C-N 3.31Å; S32-I34 PolarHBondContact O-N 3.16Å; S32-N35 WeakPolarHBondContact O-CB 3.49Å; S32-N35 PolarHBondContact O-N 3.48Å; S32-N35 VanDerWaalsContact O-N 3.09Å; S32-D36 VanDerWaalsContact O-CG 3.31Å; S32-D36 PolarHBondContact O-N 3.41Å |
| 33 | R | 88.8 | Confident | 85.4 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 46% | 0.464 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 179.9 | -68.3 | -176.5 | 75.9 | 170.9 | 5.1 | 111.6 | T30 N35 D36 W37 | T30-R33 PolarHBondContact O-N 3.04Å; T30-R33 VanDerWaalsContact O-N 3.11Å; T30-R33 WeakPolarHBondContact OG1-CG 3.41Å; T30-R33 PolarHBondContact OG1-N 3.48Å; R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 2.82Å; R33-D36 PolarHBondContact O-N 3.16Å; R33-W37 PolarHBondContact O-N 3.4Å; R33-W37 VanDerWaalsContact O-N 3.16Å |
| 34 | I | 90.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.8 | -61.3 | 168.9 | 0 | 0 | 0 | 110.3 | L29 T30 S32 D36 W37 V38 V256 P258 V261 | L29-I34 HydrophobicContact CB-CD1 4.05Å; L29-I34 HydrophobicContact CB-CG1 3.83Å; L29-I34 HydrophobicContact CD1-CG1 4.27Å; T30-I34 WeakPolarHBondContact O-CG1 3.49Å; T30-I34 PolarHBondContact O-N 2.77Å; T30-I34 VanDerWaalsContact O-N 3.12Å; S32-I34 VanDerWaalsContact C-N 3.31Å; S32-I34 PolarHBondContact O-N 3.16Å; I34-D36 PolarHBondContact O-N 3.23Å; I34-W37 PolarHBondContact O-N 3.44Å; I34-V38 HydrophobicContact CG2-CG2 4.36Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 2.67Å; I34-V38 PolarHBondContact O-N 2.96Å; I34-V256 HydrophobicContact CD1-CB 4.48Å; I34-V256 HydrophobicContact CD1-CG1 3.38Å; I34-V256 HydrophobicContact CG1-CG1 4.18Å; I34-P258 HydrophobicContact CD1-CB 3.88Å; I34-V261 HydrophobicContact CG2-CG1 4.33Å; I34-V261 HydrophobicContact CG2-CG2 4.14Å |
| 35 | N | 92.5 | Very high | 87.8 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 178.6 | -67.4 | -29.1 | 0 | 0 | 0 | 112.6 | T31 S32 R33 W37 V38 E39 K262 | T31-N35 PolarHBondContact O-N 3.3Å; T31-N35 PolarHBondContact O-ND2 3.49Å; T31-N35 VanDerWaalsContact O-ND2 3.09Å; S32-N35 WeakPolarHBondContact O-CB 3.49Å; S32-N35 PolarHBondContact O-N 3.48Å; S32-N35 VanDerWaalsContact O-N 3.09Å; R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 2.82Å; N35-W37 VanDerWaalsContact C-N 3.32Å; N35-W37 PolarHBondContact O-N 2.87Å; N35-V38 PolarHBondContact O-N 3.34Å; N35-E39 WeakPolarHBondContact O-CB 3.38Å; N35-E39 PolarHBondContact O-N 3.08Å; N35-K262 PolarHBondContact OD1-N 3.46Å |
| 36 | D | 92.8 | Very high | 88.3 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.1 | -60.1 | -29.1 | 0 | 0 | 0 | 111 | S32 R33 I34 E39 I40 | S32-D36 VanDerWaalsContact O-CG 3.31Å; S32-D36 PolarHBondContact O-N 3.41Å; R33-D36 PolarHBondContact O-N 3.16Å; I34-D36 PolarHBondContact O-N 3.23Å; D36-E39 PolarHBondContact O-N 2.8Å; D36-I40 WeakPolarHBondContact O-CG1 3.48Å; D36-I40 PolarHBondContact O-N 3.39Å |
| 37 | W | 92.2 | Very high | 88.2 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 176.2 | -78.9 | 99.2 | 0 | 0 | 0 | 112.5 | R33 I34 N35 E39 I40 M41 L131 Q134 L135 I138 | R33-W37 PolarHBondContact O-N 3.4Å; R33-W37 VanDerWaalsContact O-N 3.16Å; I34-W37 PolarHBondContact O-N 3.44Å; N35-W37 VanDerWaalsContact C-N 3.32Å; N35-W37 PolarHBondContact O-N 2.87Å; W37-E39 VanDerWaalsContact C-N 3.28Å; W37-E39 PolarHBondContact O-N 2.7Å; W37-I40 PolarHBondContact O-N 3.12Å; W37-I40 VanDerWaalsContact O-N 3.16Å; W37-M41 WeakPolarHBondContact O-CG 3.3Å; W37-M41 PolarHBondContact O-N 3.36Å; W37-L131 HydrophobicContact CE3-CD1 3.84Å; W37-L131 HydrophobicContact CE3-CD2 4.12Å; W37-L131 HydrophobicContact CE3-CG 3.68Å; W37-L131 HydrophobicContact CH2-CD1 4.35Å; W37-L131 HydrophobicContact CZ3-CD1 3.33Å; W37-L131 HydrophobicContact CZ3-CD2 4.42Å; W37-L131 HydrophobicContact CZ3-CG 3.55Å; W37-L131 WeakPolarHBondContact CZ3-O 3.39Å; W37-Q134 HydrophobicContact CH2-CG 4.48Å; W37-L135 HydrophobicContact CB-CD2 4.44Å; W37-L135 HydrophobicContact CD2-CB 4.03Å; W37-L135 HydrophobicContact CD2-CD1 4.25Å; W37-L135 HydrophobicContact CD2-CD2 4.11Å; W37-L135 HydrophobicContact CD2-CG 4.35Å; W37-L135 HydrophobicContact CE3-CB 3.97Å; W37-L135 HydrophobicContact CG-CD1 4.46Å; W37-L135 HydrophobicContact CG-CD2 3.99Å; W37-L135 HydrophobicContact CH2-CB 3.91Å; W37-L135 HydrophobicContact CZ2-CB 3.99Å; W37-L135 HydrophobicContact CZ2-CD1 4.02Å; W37-L135 HydrophobicContact CZ3-CB 3.87Å; W37-I138 HydrophobicContact CH2-CD1 4.15Å; W37-I138 HydrophobicContact CZ2-CD1 4.12Å |
| 38 | V | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 111 | I34 N35 I40 M41 E42 F249 M252 V261 K262 F263 | I34-V38 HydrophobicContact CG2-CG2 4.36Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 2.67Å; I34-V38 PolarHBondContact O-N 2.96Å; N35-V38 PolarHBondContact O-N 3.34Å; V38-I40 VanDerWaalsContact C-N 3.32Å; V38-I40 PolarHBondContact O-N 3.44Å; V38-M41 WeakPolarHBondContact O-CB 3.43Å; V38-M41 PolarHBondContact O-N 3.12Å; V38-E42 HydrophobicContact CG1-CG 4.38Å; V38-E42 WeakPolarHBondContact CG1-OE1 3.23Å; V38-E42 WeakPolarHBondContact O-CB 3.44Å; V38-E42 VanDerWaalsContact O-CG 3.3Å; V38-E42 WeakPolarHBondContact O-CG 3.46Å; V38-E42 PolarHBondContact O-N 3.43Å; V38-F249 HydrophobicContact CB-CE2 4.31Å; V38-F249 HydrophobicContact CG1-CD2 4.13Å; V38-F249 HydrophobicContact CG1-CE2 3.67Å; V38-F249 HydrophobicContact CG2-CD2 3.92Å; V38-F249 HydrophobicContact CG2-CE2 3.6Å; V38-M252 HydrophobicContact CG2-CE 3.9Å; V38-V261 HydrophobicContact CB-CG1 4.45Å; V38-V261 HydrophobicContact CG1-CG1 4.38Å; V38-V261 HydrophobicContact CG2-CG1 3.84Å; V38-K262 WeakPolarHBondContact CG1-O 3.39Å; V38-F263 HydrophobicContact CG1-CD2 4.48Å |
| 39 | E | 94.4 | Very high | 89.5 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.6 | -172.9 | 177.1 | 165.3 | 0 | 0 | 112.1 | N35 D36 W37 E42 R43 | N35-E39 WeakPolarHBondContact O-CB 3.38Å; N35-E39 PolarHBondContact O-N 3.08Å; D36-E39 PolarHBondContact O-N 2.8Å; W37-E39 VanDerWaalsContact C-N 3.28Å; W37-E39 PolarHBondContact O-N 2.7Å; E39-E42 WeakPolarHBondContact O-CB 3.06Å; E39-E42 PolarHBondContact O-N 3.11Å; E39-R43 VanDerWaalsContact O-CG 3.32Å; E39-R43 WeakPolarHBondContact O-CG 3.32Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE1-CZ 3.47Å; E39-R43 IonicContact OE1-NE 3.58Å; E39-R43 IonicContact OE1-NH2 2.66Å; E39-R43 PolarHBondContact OE1-NH2 2.85Å |
| 40 | I | 95.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.8 | -43.3 | 175 | -58.6 | 166.3 | 0 | 0 | 0 | 110.4 | D36 W37 V38 E42 R43 L44 L131 | D36-I40 WeakPolarHBondContact O-CG1 3.48Å; D36-I40 PolarHBondContact O-N 3.39Å; W37-I40 PolarHBondContact O-N 3.12Å; W37-I40 VanDerWaalsContact O-N 3.16Å; V38-I40 VanDerWaalsContact C-N 3.32Å; V38-I40 PolarHBondContact O-N 3.44Å; I40-E42 VanDerWaalsContact C-N 3.29Å; I40-E42 PolarHBondContact O-N 3.25Å; I40-R43 PolarHBondContact O-N 2.98Å; I40-R43 VanDerWaalsContact O-N 3.17Å; I40-L44 HydrophobicContact CG2-CD1 4.4Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.47Å; I40-L131 HydrophobicContact CB-CD2 3.81Å; I40-L131 HydrophobicContact CG2-CD1 4.04Å; I40-L131 HydrophobicContact CG2-CD2 3.48Å; I40-L131 VanDerWaalsContact CG2-CD2 3.48Å; I40-L131 HydrophobicContact CG2-CG 4.44Å |
| 41 | M | 95.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 174.5 | -68.2 | 173.7 | 68 | 0 | 0 | 111.4 | W37 V38 R43 L44 D45 V128 L131 F245 A248 F249 M252 | W37-M41 WeakPolarHBondContact O-CG 3.3Å; W37-M41 PolarHBondContact O-N 3.36Å; V38-M41 WeakPolarHBondContact O-CB 3.43Å; V38-M41 PolarHBondContact O-N 3.12Å; M41-R43 PolarHBondContact O-N 3.06Å; M41-L44 PolarHBondContact O-N 2.04Å; M41-D45 WeakPolarHBondContact O-CB 3.48Å; M41-D45 PolarHBondContact O-N 2.91Å; M41-V128 HydrophobicContact CB-CG1 4.14Å; M41-V128 HydrophobicContact CE-CG1 3.55Å; M41-V128 HydrophobicContact CG-CG1 4.13Å; M41-L131 HydrophobicContact CB-CD2 4.43Å; M41-L131 HydrophobicContact CG-CD2 3.61Å; M41-F245 HydrophobicContact CB-CD2 4.14Å; M41-F245 HydrophobicContact CB-CE2 3.82Å; M41-F245 HydrophobicContact CE-CD2 4.47Å; M41-F245 HydrophobicContact CE-CE2 4.47Å; M41-A248 HydrophobicContact CE-CB 3.46Å; M41-A248 VanDerWaalsContact CE-CB 3.46Å; M41-F249 HydrophobicContact CE-CB 4.14Å; M41-M252 HydrophobicContact CE-CE 4.28Å; M41-M252 HydrophobicContact SD-CE 3.4Å; M41-M252 WeakPolarHBondContact SD-CE 3.44Å |
| 42 | E | 94 | Very high | 89.5 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 175.6 | -78.5 | 176.9 | -147 | 0 | 0 | 112 | V38 E39 I40 L44 D45 N46 F245 F263 R264 | V38-E42 HydrophobicContact CG1-CG 4.38Å; V38-E42 WeakPolarHBondContact CG1-OE1 3.23Å; V38-E42 WeakPolarHBondContact O-CB 3.44Å; V38-E42 VanDerWaalsContact O-CG 3.3Å; V38-E42 WeakPolarHBondContact O-CG 3.46Å; V38-E42 PolarHBondContact O-N 3.43Å; E39-E42 WeakPolarHBondContact O-CB 3.06Å; E39-E42 PolarHBondContact O-N 3.11Å; I40-E42 VanDerWaalsContact C-N 3.29Å; I40-E42 PolarHBondContact O-N 3.25Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.36Å; E42-D45 PolarHBondContact O-N 3.22Å; E42-N46 WeakPolarHBondContact O-CB 3.45Å; E42-N46 PolarHBondContact O-N 3.09Å; E42-F245 HydrophobicContact CG-CE2 4.14Å; E42-F245 HydrophobicContact CG-CZ 4.34Å; E42-F263 HydrophobicContact CG-CD2 3.74Å; E42-F263 HydrophobicContact CG-CE2 3.63Å; E42-F263 VanDerWaalsContact OE1-CA 3.23Å; E42-F263 WeakPolarHBondContact OE1-CA 3.22Å; E42-F263 VanDerWaalsContact OE1-CD2 3.23Å; E42-F263 WeakPolarHBondContact OE1-CD2 3.23Å; E42-R264 HydrophobicContact CG-CG 4.3Å; E42-R264 PolarHBondContact OE1-N 3.25Å; E42-R264 VanDerWaalsContact OE2-CA 3.22Å; E42-R264 WeakPolarHBondContact OE2-CA 3.23Å; E42-R264 VanDerWaalsContact OE2-CG 3.23Å; E42-R264 WeakPolarHBondContact OE2-CG 3.4Å; E42-R264 PolarHBondContact OE2-N 3.09Å; E42-R264 VanDerWaalsContact OE2-N 3.08Å |
| 43 | R | 93.3 | Very high | 89.7 | Confident | 148 Ų | 148 | 62.7 Ų | 62.7 | 56% | 0.558 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 177.8 | -70.8 | 171.7 | -172.8 | -167.1 | 3.9 | 111.3 | E39 I40 M41 D45 Y47 | E39-R43 VanDerWaalsContact O-CG 3.32Å; E39-R43 WeakPolarHBondContact O-CG 3.32Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE1-CZ 3.47Å; E39-R43 IonicContact OE1-NE 3.58Å; E39-R43 IonicContact OE1-NH2 2.66Å; E39-R43 PolarHBondContact OE1-NH2 2.85Å; I40-R43 PolarHBondContact O-N 2.98Å; I40-R43 VanDerWaalsContact O-N 3.17Å; M41-R43 PolarHBondContact O-N 3.06Å; R43-D45 VanDerWaalsContact C-N 3.29Å; R43-D45 PolarHBondContact O-N 3.33Å; R43-Y47 WeakPolarHBondContact O-CD2 3.38Å; R43-Y47 VanDerWaalsContact O-CE2 3.3Å; R43-Y47 WeakPolarHBondContact O-CE2 3.09Å |
| 44 | L | 94.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 176.1 | -68.6 | 174.8 | 0 | 0 | 0 | 112.6 | I40 M41 E42 K48 V128 L131 | I40-L44 HydrophobicContact CG2-CD1 4.4Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.47Å; M41-L44 PolarHBondContact O-N 2.04Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.36Å; L44-K48 WeakPolarHBondContact O-CE 3.42Å; L44-V128 HydrophobicContact CB-CG2 3.83Å; L44-L131 HydrophobicContact CD1-CB 4.12Å; L44-L131 HydrophobicContact CD1-CD2 3.82Å; L44-L131 HydrophobicContact CD1-CG 4.45Å |
| 45 | D | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -86 | -38.3 | -179.9 | -172.5 | 63.9 | 0 | 0 | 0 | 113.6 | M41 E42 R43 Y47 K48 V128 T241 T242 F245 R264 | M41-D45 WeakPolarHBondContact O-CB 3.48Å; M41-D45 PolarHBondContact O-N 2.91Å; E42-D45 PolarHBondContact O-N 3.22Å; R43-D45 VanDerWaalsContact C-N 3.29Å; R43-D45 PolarHBondContact O-N 3.33Å; D45-Y47 PolarHBondContact O-N 2.84Å; D45-Y47 VanDerWaalsContact O-N 3.1Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 WeakPolarHBondContact O-CG 3.07Å; D45-K48 PolarHBondContact O-N 2.68Å; D45-V128 HydrophobicContact CB-CG2 4.32Å; D45-T241 WeakPolarHBondContact OD2-CA 3.34Å; D45-T242 WeakPolarHBondContact OD1-CB 3.29Å; D45-T242 VanDerWaalsContact OD1-CG2 3.27Å; D45-T242 WeakPolarHBondContact OD1-CG2 3.31Å; D45-T242 PolarHBondContact OD1-N 3.14Å; D45-T242 PolarHBondContact OD1-OG1 3.29Å; D45-F245 HydrophobicContact CB-CB 4.16Å; D45-F245 HydrophobicContact CB-CD2 3.78Å; D45-F245 HydrophobicContact CB-CG 4.21Å; D45-R264 IonicContact OD2-NH2 3.28Å |
| 46 | N | 83.2 | Confident | 90.1 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.4 | -22.6 | -169.8 | -179 | 66.4 | 0 | 0 | 0 | 113.8 | E42 K48 K240 | E42-N46 WeakPolarHBondContact O-CB 3.45Å; E42-N46 PolarHBondContact O-N 3.09Å; N46-K48 VanDerWaalsContact C-N 3.28Å; N46-K240 PolarHBondContact OD1-NZ 2.84Å |
| 47 | Y | 75.7 | Confident | 90.2 | Very high | 188 Ų | 188 | 60 Ų | 60 | 74% | 0.737 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -13.1 | 172.5 | -63.1 | -65.3 | 0 | 0 | 0 | 113.5 | R43 D45 | R43-Y47 WeakPolarHBondContact O-CD2 3.38Å; R43-Y47 VanDerWaalsContact O-CE2 3.3Å; R43-Y47 WeakPolarHBondContact O-CE2 3.09Å; D45-Y47 PolarHBondContact O-N 2.84Å; D45-Y47 VanDerWaalsContact O-N 3.1Å |
| 48 | K | 82.9 | Confident | 90.3 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -45.9 | -178.2 | -57.8 | 179.8 | -177.1 | 174.6 | 0 | 111.3 | L44 D45 N46 R85 T242 E244 | L44-K48 WeakPolarHBondContact O-CE 3.42Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 WeakPolarHBondContact O-CG 3.07Å; D45-K48 PolarHBondContact O-N 2.68Å; N46-K48 VanDerWaalsContact C-N 3.28Å; K48-R85 PolarHBondContact O-NE 3.3Å; K48-R85 PolarHBondContact O-NH2 3.32Å; K48-T242 HydrophobicContact CB-CG2 3.82Å; K48-T242 HydrophobicContact CD-CG2 3.71Å; K48-T242 HydrophobicContact CG-CG2 4.43Å; K48-E244 IonicContact NZ-OE1 2.68Å; K48-E244 PolarHBondContact NZ-OE1 2.62Å |
| 49 | I | 85.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -119.7 | 101.4 | 176.5 | -55.6 | 179 | 0 | 0 | 0 | 106 | M53 V82 I88 W195 K240 T242 | I49-M53 HydrophobicContact CG2-CB 4.29Å; I49-V82 HydrophobicContact CD1-CG1 3.89Å; I49-V82 HydrophobicContact CG1-CG1 4.31Å; I49-V82 HydrophobicContact CG1-CG2 4.47Å; I49-V82 HydrophobicContact CG2-CG2 4.2Å; I49-I88 HydrophobicContact CD1-CD1 4.23Å; I49-W195 HydrophobicContact CD1-CH2 4.05Å; I49-W195 HydrophobicContact CD1-CZ2 3.52Å; I49-K240 HydrophobicContact CB-CG 4.06Å; I49-K240 HydrophobicContact CG2-CG 3.82Å; I49-K240 WeakPolarHBondContact O-CE 3.41Å; I49-K240 WeakPolarHBondContact O-CG 3.45Å; I49-T242 HydrophobicContact CD1-CG2 4.13Å; I49-T242 HydrophobicContact CG1-CG2 4.28Å |
| 50 | N | 84.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | trans | -84.9 | 169.7 | -179.8 | 71.5 | 51.4 | 0 | 0 | 0 | 111.2 | N52 M53 | N50-N52 PolarHBondContact O-N 2.83Å; N50-N52 VanDerWaalsContact O-N 3.16Å; N50-N52 WeakPolarHBondContact OD1-CB 3.41Å; N50-N52 PolarHBondContact OD1-N 2.92Å; N50-M53 WeakPolarHBondContact O-CB 3.41Å; N50-M53 PolarHBondContact O-N 3.15Å; N50-M53 WeakPolarHBondContact OD1-CG 3.38Å; N50-M53 PolarHBondContact OD1-N 3.26Å | ||
| 51 | K | 80.9 | Confident | 90.1 | Very high | 161 Ų | 161 | 62.6 Ų | 62.6 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | -176.2 | 65.2 | 172.4 | -173.7 | 175.7 | 0 | 114.6 | ||
| 52 | N | 87.2 | Confident | 89.8 | Confident | 116 Ų | 116 | 62.9 Ų | 62.9 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -10 | 179 | -59 | -16.4 | 0 | 0 | 0 | 111.6 | N50 Y54 | N50-N52 PolarHBondContact O-N 2.83Å; N50-N52 VanDerWaalsContact O-N 3.16Å; N50-N52 WeakPolarHBondContact OD1-CB 3.41Å; N50-N52 PolarHBondContact OD1-N 2.92Å; N52-Y54 VanDerWaalsContact C-N 3.3Å |
| 53 | M | 91.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 15% | 0.148 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -86.9 | -1.6 | -179.1 | -72.9 | 176.8 | 165.9 | 0 | 0 | 113 | I49 N50 H79 V82 | I49-M53 HydrophobicContact CG2-CB 4.29Å; N50-M53 WeakPolarHBondContact O-CB 3.41Å; N50-M53 PolarHBondContact O-N 3.15Å; N50-M53 WeakPolarHBondContact OD1-CG 3.38Å; N50-M53 PolarHBondContact OD1-N 3.26Å; M53-H79 HydrophobicContact CB-CB 3.85Å; M53-H79 HydrophobicContact CG-CB 4.03Å; M53-H79 WeakPolarHBondContact O-CB 3.47Å; M53-H79 PolarHBondContact O-N 3.22Å; M53-V82 HydrophobicContact CB-CG2 3.93Å; M53-V82 HydrophobicContact SD-CG2 4.46Å |
| 54 | Y | 90.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 133 | -166 | 170 | -90.3 | 0 | 0 | 0 | 111.8 | N52 V56 F75 Y77 I78 W195 | N52-Y54 VanDerWaalsContact C-N 3.3Å; Y54-V56 HydrophobicContact CD1-CG2 4.01Å; Y54-V56 HydrophobicContact CE1-CB 4.43Å; Y54-V56 HydrophobicContact CE1-CG2 2.99Å; Y54-V56 HydrophobicContact CE2-CG2 4.39Å; Y54-V56 WeakPolarHBondContact OH-CG2 3.31Å; Y54-F75 HydrophobicContact CD2-CD1 4.39Å; Y54-F75 AromaticContact CE2-CD1 3.22Å; Y54-F75 HydrophobicContact CE2-CD1 3.22Å; Y54-F75 AromaticContact CE2-CE1 3.47Å; Y54-F75 HydrophobicContact CE2-CE1 3.47Å; Y54-F75 VanDerWaalsContact CE2-CE1 3.47Å; Y54-F75 HydrophobicContact CE2-CG 4.49Å; Y54-F75 AromaticContact CZ-CD1 3.52Å; Y54-F75 AromaticContact CZ-CE1 3.51Å; Y54-F75 WeakPolarHBondContact OH-CD1 3.39Å; Y54-F75 WeakPolarHBondContact OH-CE1 3.48Å; Y54-Y77 CarbonylContact C-O 3.53Å; Y54-Y77 VanDerWaalsContact CA-O 3.31Å; Y54-Y77 WeakPolarHBondContact CA-O 3.41Å; Y54-I78 HydrophobicContact CD2-CG1 3.94Å; Y54-I78 HydrophobicContact CE2-CG1 4.4Å; Y54-W195 HydrophobicContact CD2-CE3 4.3Å; Y54-W195 AromaticContact CD2-CH2 4Å; Y54-W195 HydrophobicContact CD2-CH2 4Å; Y54-W195 AromaticContact CD2-CZ3 3.62Å; Y54-W195 HydrophobicContact CD2-CZ3 3.62Å; Y54-W195 HydrophobicContact CE2-CD2 4.43Å; Y54-W195 AromaticContact CE2-CE3 3.59Å; Y54-W195 HydrophobicContact CE2-CE3 3.59Å; Y54-W195 HydrophobicContact CE2-CH2 4.09Å; Y54-W195 AromaticContact CE2-CZ3 3.37Å; Y54-W195 HydrophobicContact CE2-CZ3 3.37Å |
| 55 | N | 94 | Very high | 87.6 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | 174.7 | -67.1 | -24.9 | 0 | 0 | 0 | 112.3 | T76 Y77 | N55-T76 PolarHBondContact O-N 3.09Å; N55-Y77 PolarHBondContact N-O 3.46Å |
| 56 | V | 95 | Very high | 86.4 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.1 | 177.2 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | Y54 F58 L74 | Y54-V56 HydrophobicContact CD1-CG2 4.01Å; Y54-V56 HydrophobicContact CE1-CB 4.43Å; Y54-V56 HydrophobicContact CE1-CG2 2.99Å; Y54-V56 HydrophobicContact CE2-CG2 4.39Å; Y54-V56 WeakPolarHBondContact OH-CG2 3.31Å; V56-F58 HydrophobicContact CB-CE2 4.14Å; V56-F58 HydrophobicContact CG1-CD1 4.43Å; V56-F58 HydrophobicContact CG1-CD2 3.91Å; V56-F58 HydrophobicContact CG1-CE1 4.14Å; V56-F58 HydrophobicContact CG1-CE2 3.6Å; V56-F58 HydrophobicContact CG1-CG 4.32Å; V56-F58 HydrophobicContact CG1-CZ 3.72Å; V56-L74 CarbonylContact C-O 3.5Å; V56-L74 WeakPolarHBondContact CA-O 3.39Å; V56-L74 HydrophobicContact CG1-CD1 3.29Å; V56-L74 HydrophobicContact CG1-CG 3.89Å; V56-L74 WeakPolarHBondContact CG1-O 3.41Å |
| 57 | T | 95.9 | Very high | 85.9 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | trans | -112.6 | 100.2 | 170.5 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | H59 L74 T76 | T57-H59 PolarHBondContact O-N 2.77Å; T57-H59 PolarHBondContact O-ND1 3.36Å; T57-H59 VanDerWaalsContact O-ND1 3.12Å; T57-L74 PolarHBondContact N-O 3.14Å; T57-T76 VanDerWaalsContact OG1-CG2 3.31Å; T57-T76 WeakPolarHBondContact OG1-CG2 3.48Å | ||
| 58 | F | 94.9 | Very high | 86.2 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | trans | -78.7 | 86.8 | 170.6 | -68.9 | -73.5 | 0 | 0 | 0 | 110.8 | V56 L74 Y212 K215 A221 L239 | V56-F58 HydrophobicContact CB-CE2 4.14Å; V56-F58 HydrophobicContact CG1-CD1 4.43Å; V56-F58 HydrophobicContact CG1-CD2 3.91Å; V56-F58 HydrophobicContact CG1-CE1 4.14Å; V56-F58 HydrophobicContact CG1-CE2 3.6Å; V56-F58 HydrophobicContact CG1-CG 4.32Å; V56-F58 HydrophobicContact CG1-CZ 3.72Å; F58-L74 HydrophobicContact CD1-CD1 3.9Å; F58-L74 HydrophobicContact CE1-CD1 3.93Å; F58-Y212 HydrophobicContact CB-CD1 3.84Å; F58-Y212 HydrophobicContact CB-CE1 4.03Å; F58-Y212 HydrophobicContact CD1-CD1 4.14Å; F58-Y212 HydrophobicContact CD1-CG 4.19Å; F58-Y212 HydrophobicContact CG-CD1 4.44Å; F58-K215 HydrophobicContact CB-CD 3.6Å; F58-K215 HydrophobicContact CD1-CB 3.78Å; F58-K215 HydrophobicContact CD1-CD 4.15Å; F58-K215 HydrophobicContact CD2-CB 4.2Å; F58-K215 HydrophobicContact CD2-CD 4.03Å; F58-K215 HydrophobicContact CE1-CB 3.79Å; F58-K215 HydrophobicContact CE2-CB 4.2Å; F58-K215 HydrophobicContact CG-CB 3.99Å; F58-K215 HydrophobicContact CG-CD 3.66Å; F58-K215 HydrophobicContact CG-CG 4.49Å; F58-K215 HydrophobicContact CZ-CB 3.99Å; F58-A221 HydrophobicContact CE1-CB 3.58Å; F58-A221 HydrophobicContact CZ-CB 3.83Å; F58-L239 HydrophobicContact CE2-CD1 4.49Å; F58-L239 HydrophobicContact CZ-CD1 3.82Å | ||
| 59 | H | 93.4 | Very high | 86.5 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | trans | -54.7 | -99.9 | 179.2 | -62.6 | 94.4 | 0 | 0 | 0 | 113.8 | T57 L71 K73 Y209 | T57-H59 PolarHBondContact O-N 2.77Å; T57-H59 PolarHBondContact O-ND1 3.36Å; T57-H59 VanDerWaalsContact O-ND1 3.12Å; H59-L71 HydrophobicContact CB-CB 3.76Å; H59-L71 HydrophobicContact CB-CD1 3.91Å; H59-L71 HydrophobicContact CB-CG 4.44Å; H59-L71 PolarHBondContact CD2-O 3.34Å; H59-L71 PolarHBondContact CE1-O 3.13Å; H59-L71 PolarHBondContact NE2-O 3.48Å; H59-L71 VanDerWaalsContact NE2-O 3.15Å; H59-K73 PolarHBondContact CE1-O 3.31Å; H59-K73 VanDerWaalsContact CE1-O 3.28Å; H59-Y209 HydrophobicContact CB-CE1 4.14Å; H59-Y209 AromaticContact ND1-CD1 3.77Å; H59-Y209 AromaticContact ND1-CE1 3.54Å | ||
| 60 | K | 93.5 | Very high | 86.9 | Confident | 130 Ų | 130 | 79.8 Ų | 79.8 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | trans | -112.3 | 155.6 | -177.3 | -63.2 | 179.4 | -179.2 | 173.4 | 0 | 111.2 | S62 L71 G211 Y212 | K60-S62 PolarHBondContact O-N 2.64Å; K60-L71 HydrophobicContact CB-CD1 3.81Å; K60-L71 HydrophobicContact CD-CD2 4.3Å; K60-L71 HydrophobicContact CG-CD1 4.47Å; K60-G211 CarbonylContact O-C 3.57Å; K60-G211 WeakPolarHBondContact O-CA 3.48Å; K60-Y212 VanDerWaalsContact C-CE1 3.45Å; K60-Y212 VanDerWaalsContact O-CD1 3.27Å; K60-Y212 WeakPolarHBondContact O-CD1 3.17Å; K60-Y212 PolarHBondContact O-N 2.99Å | ||
| 61 | S | 92.5 | Very high | 87.3 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 133.5 | 166.7 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | A63 K64 N65 Y212 | S61-A63 VanDerWaalsContact C-N 3.28Å; S61-A63 PolarHBondContact O-N 3.04Å; S61-K64 PolarHBondContact O-N 2.99Å; S61-N65 PolarHBondContact O-N 3.26Å; S61-Y212 CarbonylContact C-O 3.59Å; S61-Y212 VanDerWaalsContact CA-O 3.23Å; S61-Y212 WeakPolarHBondContact CA-O 3.19Å |
| 62 | S | 87.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 73 Ų | 73 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -64.2 | -33.9 | -178.7 | 63 | 0 | 0 | 0 | 0 | 112.7 | K60 K64 N65 Y212 R213 Q224 | K60-S62 PolarHBondContact O-N 2.64Å; S62-K64 PolarHBondContact O-N 2.9Å; S62-K64 VanDerWaalsContact O-N 3.16Å; S62-N65 PolarHBondContact O-N 2.95Å; S62-Y212 PolarHBondContact N-O 3.25Å; S62-Y212 PolarHBondContact OG-O 3.31Å; S62-R213 WeakPolarHBondContact OG-CG 3.39Å; S62-Q224 VanDerWaalsContact CB-OE1 3.24Å |
| 63 | A | 82.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -59.4 | -23.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S61 | S61-A63 VanDerWaalsContact C-N 3.28Å; S61-A63 PolarHBondContact O-N 3.04Å |
| 64 | K | 80.6 | Confident | 88.6 | Confident | 162 Ų | 162 | 70.1 Ų | 70.1 | 70% | 0.704 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -92.8 | -6.5 | 175.5 | -63 | -174.8 | 177.3 | -174.1 | 0 | 112.5 | S61 S62 H66 | S61-K64 PolarHBondContact O-N 2.99Å; S62-K64 PolarHBondContact O-N 2.9Å; S62-K64 VanDerWaalsContact O-N 3.16Å; K64-H66 PolarHBondContact O-N 3.19Å |
| 65 | N | 73.9 | Confident | 88.9 | Confident | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | trans | -96.1 | 71.9 | -178.3 | -171.1 | 9.2 | 0 | 0 | 0 | 110.8 | S61 S62 K67 K68 E69 L210 | S61-N65 PolarHBondContact O-N 3.26Å; S62-N65 PolarHBondContact O-N 2.95Å; N65-K67 PolarHBondContact O-N 3.15Å; N65-K68 PolarHBondContact O-N 3.05Å; N65-K68 PolarHBondContact OD1-N 3.36Å; N65-E69 PolarHBondContact ND2-O 3.19Å; N65-E69 VanDerWaalsContact ND2-O 3.12Å; N65-L210 PolarHBondContact ND2-O 3.19Å | ||
| 66 | H | 68.3 | Low | 89 | Confident | 168 Ų | 168 | 69.4 Ų | 69.4 | 78% | 0.778 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.9 | -177.7 | -60.6 | -71 | 0 | 0 | 0 | 113.4 | K64 | K64-H66 PolarHBondContact O-N 3.19Š|
| 67 | K | 73.1 | Confident | 89 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.9 | -176.8 | -61.4 | -166.4 | 177.9 | -174.1 | 0 | 114.1 | N65 E69 | N65-K67 PolarHBondContact O-N 3.15Å; K67-E69 HydrophobicContact CB-CG 3.89Å; K67-E69 VanDerWaalsContact CD-OE1 3.3Å; K67-E69 WeakPolarHBondContact CD-OE1 3.3Å; K67-E69 PolarHBondContact O-N 3.35Å; K67-E69 VanDerWaalsContact O-N 3.1Å |
| 68 | K | 82 | Confident | 89 | Confident | 102 Ų | 102 | 71 Ų | 71 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | trans | 48.3 | 34.8 | -174.7 | -58 | -177.9 | -174.3 | 174.3 | 0 | 112.8 | N65 L210 M231 | N65-K68 PolarHBondContact O-N 3.05Å; N65-K68 PolarHBondContact OD1-N 3.36Å; K68-L210 HydrophobicContact CB-CD1 4.25Å; K68-L210 WeakPolarHBondContact O-CD2 3.44Å; K68-M231 HydrophobicContact CB-CE 4.31Å; K68-M231 HydrophobicContact CD-CE 3.86Å; K68-M231 HydrophobicContact CD-SD 4.47Å | ||
| 69 | E | 89.3 | Confident | 89.1 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | trans | -82.9 | 147 | 175.2 | -73.4 | 170 | -171.5 | 0 | 0 | 110.3 | N65 K67 L71 L210 | N65-E69 PolarHBondContact ND2-O 3.19Å; N65-E69 VanDerWaalsContact ND2-O 3.12Å; K67-E69 HydrophobicContact CB-CG 3.89Å; K67-E69 VanDerWaalsContact CD-OE1 3.3Å; K67-E69 WeakPolarHBondContact CD-OE1 3.3Å; K67-E69 PolarHBondContact O-N 3.35Å; K67-E69 VanDerWaalsContact O-N 3.1Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-L210 VanDerWaalsContact C-CD2 3.46Å; E69-L210 WeakPolarHBondContact O-CD2 3.41Å | ||
| 70 | P | 93 | Very high | 89.1 | Confident | 71 Ų | 71 | 73 Ų | 73 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | trans | -55.3 | 131.5 | 174.1 | -23.5 | 33.8 | 0 | 0 | 0 | 111.9 | E208 L210 | P70-E208 HydrophobicContact CB-CB 4.23Å; P70-E208 HydrophobicContact CG-CB 3.99Å; P70-E208 HydrophobicContact CG-CG 4.16Å; P70-L210 HydrophobicContact CG-CD2 4.45Å | ||
| 71 | L | 93.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -96.3 | 0.9 | -176.3 | -65.5 | 179.4 | 0 | 0 | 0 | 113.9 | H59 K60 E69 Y209 L210 | H59-L71 HydrophobicContact CB-CB 3.76Å; H59-L71 HydrophobicContact CB-CD1 3.91Å; H59-L71 HydrophobicContact CB-CG 4.44Å; H59-L71 PolarHBondContact CD2-O 3.34Å; H59-L71 PolarHBondContact CE1-O 3.13Å; H59-L71 PolarHBondContact NE2-O 3.48Å; H59-L71 VanDerWaalsContact NE2-O 3.15Å; K60-L71 HydrophobicContact CB-CD1 3.81Å; K60-L71 HydrophobicContact CD-CD2 4.3Å; K60-L71 HydrophobicContact CG-CD1 4.47Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-Y209 HydrophobicContact CB-CD1 4.45Å; L71-Y209 PolarHBondContact N-O 3.33Å; L71-L210 WeakPolarHBondContact CD1-O 3.39Å | ||
| 72 | G | 93.9 | Very high | 89.3 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 100.2 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 73 | K | 96.7 | Very high | 89.7 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | trans | -73.2 | 129.1 | -173.8 | -65.8 | -169 | 174.3 | -171.1 | 0 | 112.1 | H59 T76 E202 | H59-K73 PolarHBondContact CE1-O 3.31Å; H59-K73 VanDerWaalsContact CE1-O 3.28Å; K73-T76 WeakPolarHBondContact O-CG2 3.5Å; K73-E202 VanDerWaalsContact CA-OE1 3.24Å; K73-E202 WeakPolarHBondContact CA-OE1 3.36Å; K73-E202 HydrophobicContact CB-CG 4.12Å; K73-E202 HydrophobicContact CD-CG 4.08Å; K73-E202 HydrophobicContact CG-CG 3.79Å; K73-E202 PolarHBondContact NZ-O 2.81Å | ||
| 74 | L | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -65.8 | -44.8 | 169.6 | 178.4 | 60 | 0 | 0 | 0 | 110.3 | V56 T57 F58 F198 E202 Y209 V223 | V56-L74 CarbonylContact C-O 3.5Å; V56-L74 WeakPolarHBondContact CA-O 3.39Å; V56-L74 HydrophobicContact CG1-CD1 3.29Å; V56-L74 HydrophobicContact CG1-CG 3.89Å; V56-L74 WeakPolarHBondContact CG1-O 3.41Å; T57-L74 PolarHBondContact N-O 3.14Å; F58-L74 HydrophobicContact CD1-CD1 3.9Å; F58-L74 HydrophobicContact CE1-CD1 3.93Å; L74-F198 HydrophobicContact CB-CE1 4.09Å; L74-F198 HydrophobicContact CD2-CE1 4.05Å; L74-F198 HydrophobicContact CD2-CZ 4.18Å; L74-E202 VanDerWaalsContact N-CD 3.32Å; L74-E202 PolarHBondContact N-OE1 3.21Å; L74-E202 PolarHBondContact N-OE2 3.44Å; L74-Y209 HydrophobicContact CB-CD1 3.95Å; L74-Y209 HydrophobicContact CB-CD2 4.1Å; L74-Y209 HydrophobicContact CB-CE1 4.33Å; L74-Y209 HydrophobicContact CB-CE2 4.47Å; L74-Y209 HydrophobicContact CB-CG 3.81Å; L74-Y209 HydrophobicContact CD1-CE1 4.1Å; L74-Y209 HydrophobicContact CD1-CE2 4.11Å; L74-Y209 HydrophobicContact CD2-CD2 4.11Å; L74-Y209 HydrophobicContact CD2-CE2 4.12Å; L74-Y209 HydrophobicContact CG-CE2 4.49Å; L74-V223 HydrophobicContact CD2-CG1 3.83Å |
| 75 | F | 96.7 | Very high | 91 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 89.5 | -178.9 | -61.9 | -94.8 | 0 | 0 | 0 | 109.8 | Y54 I78 W195 F198 A199 E202 M237 L239 | Y54-F75 HydrophobicContact CD2-CD1 4.39Å; Y54-F75 AromaticContact CE2-CD1 3.22Å; Y54-F75 HydrophobicContact CE2-CD1 3.22Å; Y54-F75 AromaticContact CE2-CE1 3.47Å; Y54-F75 HydrophobicContact CE2-CE1 3.47Å; Y54-F75 VanDerWaalsContact CE2-CE1 3.47Å; Y54-F75 HydrophobicContact CE2-CG 4.49Å; Y54-F75 AromaticContact CZ-CD1 3.52Å; Y54-F75 AromaticContact CZ-CE1 3.51Å; Y54-F75 WeakPolarHBondContact OH-CD1 3.39Å; Y54-F75 WeakPolarHBondContact OH-CE1 3.48Å; F75-I78 HydrophobicContact CD1-CD1 4.49Å; F75-W195 HydrophobicContact CD1-CE3 4.04Å; F75-W195 HydrophobicContact CE1-CB 3.86Å; F75-W195 HydrophobicContact CE1-CD2 4.17Å; F75-W195 AromaticContact CE1-CE3 3.46Å; F75-W195 HydrophobicContact CE1-CE3 3.46Å; F75-W195 VanDerWaalsContact CE1-CE3 3.46Å; F75-W195 HydrophobicContact CE1-CG 4.39Å; F75-W195 HydrophobicContact CE1-CZ3 4.33Å; F75-W195 HydrophobicContact CZ-CB 3.69Å; F75-W195 HydrophobicContact CZ-CE3 4.36Å; F75-F198 AromaticContact CD2-CD1 3.47Å; F75-F198 HydrophobicContact CD2-CD1 3.47Å; F75-F198 VanDerWaalsContact CD2-CD1 3.47Å; F75-F198 AromaticContact CD2-CE1 3.86Å; F75-F198 HydrophobicContact CD2-CE1 3.86Å; F75-F198 HydrophobicContact CD2-CG 4.48Å; F75-F198 HydrophobicContact CE2-CB 4.06Å; F75-F198 AromaticContact CE2-CD1 3.17Å; F75-F198 HydrophobicContact CE2-CD1 3.17Å; F75-F198 AromaticContact CE2-CE1 3.74Å; F75-F198 HydrophobicContact CE2-CE1 3.74Å; F75-F198 AromaticContact CE2-CG 3.8Å; F75-F198 HydrophobicContact CE2-CG 3.8Å; F75-F198 HydrophobicContact CZ-CD1 4.31Å; F75-A199 HydrophobicContact CB-CB 3.92Å; F75-A199 HydrophobicContact CD1-CB 3.76Å; F75-A199 HydrophobicContact CD2-CB 3.95Å; F75-A199 HydrophobicContact CE1-CB 4.19Å; F75-A199 HydrophobicContact CE2-CB 4.43Å; F75-A199 HydrophobicContact CG-CB 3.61Å; F75-E202 WeakPolarHBondContact CA-OE2 3.4Å; F75-E202 VanDerWaalsContact CB-OE2 3.32Å; F75-E202 WeakPolarHBondContact CB-OE2 3.25Å; F75-E202 PolarHBondContact N-OE2 3.49Å; F75-M237 HydrophobicContact CZ-SD 4.21Å; F75-L239 HydrophobicContact CZ-CD2 4.37Å |
| 76 | T | 95.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 75.3 Ų | 75.3 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -21.5 | -174.1 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | N55 T57 K73 | N55-T76 PolarHBondContact O-N 3.09Å; T57-T76 VanDerWaalsContact OG1-CG2 3.31Å; T57-T76 WeakPolarHBondContact OG1-CG2 3.48Å; K73-T76 WeakPolarHBondContact O-CG2 3.5Å |
| 77 | Y | 95.3 | Very high | 93.5 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 38% | 0.376 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 136.7 | 176.5 | 179.5 | -107.2 | 0 | 0 | 0 | 111.3 | Y54 N55 H79 | Y54-Y77 CarbonylContact C-O 3.53Å; Y54-Y77 VanDerWaalsContact CA-O 3.31Å; Y54-Y77 WeakPolarHBondContact CA-O 3.41Å; N55-Y77 PolarHBondContact N-O 3.46Å; Y77-H79 HydrophobicContact CE1-CB 3.99Å; Y77-H79 PolarHBondContact OH-CD2 3.11Å |
| 78 | I | 95.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123.5 | 166.9 | -53.3 | 178 | 0 | 0 | 0 | 107 | Y54 F75 V82 F83 W195 A199 | Y54-I78 HydrophobicContact CD2-CG1 3.94Å; Y54-I78 HydrophobicContact CE2-CG1 4.4Å; F75-I78 HydrophobicContact CD1-CD1 4.49Å; I78-V82 HydrophobicContact CG2-CB 3.88Å; I78-V82 HydrophobicContact CG2-CG1 4.09Å; I78-V82 HydrophobicContact CG2-CG2 4.04Å; I78-F83 HydrophobicContact CB-CE2 3.98Å; I78-F83 HydrophobicContact CB-CZ 3.97Å; I78-F83 HydrophobicContact CD1-CZ 3.93Å; I78-F83 HydrophobicContact CG2-CD2 4.46Å; I78-F83 HydrophobicContact CG2-CE1 4.37Å; I78-F83 HydrophobicContact CG2-CE2 3.64Å; I78-F83 HydrophobicContact CG2-CZ 3.6Å; I78-W195 HydrophobicContact CD1-CZ3 3.85Å; I78-W195 HydrophobicContact CG1-CZ3 4.5Å; I78-A199 HydrophobicContact CD1-CB 3.39Å |
| 79 | H | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 29% | 0.292 | 29% | 0.293 | S | S | . | . | trans | -67.2 | 133.4 | 179.8 | -169.9 | -76.2 | 0 | 0 | 0 | 110.1 | M53 Y77 E81 V82 | M53-H79 HydrophobicContact CB-CB 3.85Å; M53-H79 HydrophobicContact CG-CB 4.03Å; M53-H79 WeakPolarHBondContact O-CB 3.47Å; M53-H79 PolarHBondContact O-N 3.22Å; Y77-H79 HydrophobicContact CE1-CB 3.99Å; Y77-H79 PolarHBondContact OH-CD2 3.11Å; H79-E81 WeakPolarHBondContact CE1-CG 3.45Å; H79-E81 WeakPolarHBondContact ND1-CB 3.31Å; H79-E81 WeakPolarHBondContact ND1-CG 3.29Å; H79-E81 PolarHBondContact ND1-N 3.48Å; H79-E81 PolarHBondContact O-N 3.05Å; H79-E81 VanDerWaalsContact O-N 3.09Å; H79-V82 HydrophobicContact CB-CG2 4.48Å; H79-V82 VanDerWaalsContact O-CB 3.3Å; H79-V82 WeakPolarHBondContact O-CB 3.27Å; H79-V82 WeakPolarHBondContact O-CG2 3.22Å; H79-V82 PolarHBondContact O-N 2.84Å | ||
| 80 | P | 95 | Very high | 95.9 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.1 | -34.5 | -175.4 | -29.9 | 35.9 | 0 | 0 | 0 | 115 | V82 F83 | P80-V82 PolarHBondContact O-N 2.9Å; P80-V82 VanDerWaalsContact O-N 3.15Å; P80-F83 PolarHBondContact O-N 3.12Å |
| 81 | E | 94.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -23.5 | 175.8 | -65.4 | -59.2 | 126.6 | 0 | 0 | 114.3 | H79 F83 K84 | H79-E81 WeakPolarHBondContact CE1-CG 3.45Å; H79-E81 WeakPolarHBondContact ND1-CB 3.31Å; H79-E81 WeakPolarHBondContact ND1-CG 3.29Å; H79-E81 PolarHBondContact ND1-N 3.48Å; H79-E81 PolarHBondContact O-N 3.05Å; H79-E81 VanDerWaalsContact O-N 3.09Å; E81-F83 VanDerWaalsContact C-N 3.27Å; E81-F83 PolarHBondContact O-N 3.06Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-K84 WeakPolarHBondContact OE1-CD 3.39Å; E81-K84 VanDerWaalsContact OE1-CE 3.31Å; E81-K84 WeakPolarHBondContact OE1-CE 3.44Å; E81-K84 IonicContact OE1-NZ 3.34Å; E81-K84 PolarHBondContact OE1-NZ 2.82Å |
| 82 | V | 94.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.7 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | I49 M53 I78 H79 P80 K84 R85 I88 W195 | I49-V82 HydrophobicContact CD1-CG1 3.89Å; I49-V82 HydrophobicContact CG1-CG1 4.31Å; I49-V82 HydrophobicContact CG1-CG2 4.47Å; I49-V82 HydrophobicContact CG2-CG2 4.2Å; M53-V82 HydrophobicContact CB-CG2 3.93Å; M53-V82 HydrophobicContact SD-CG2 4.46Å; I78-V82 HydrophobicContact CG2-CB 3.88Å; I78-V82 HydrophobicContact CG2-CG1 4.09Å; I78-V82 HydrophobicContact CG2-CG2 4.04Å; H79-V82 HydrophobicContact CB-CG2 4.48Å; H79-V82 VanDerWaalsContact O-CB 3.3Å; H79-V82 WeakPolarHBondContact O-CB 3.27Å; H79-V82 WeakPolarHBondContact O-CG2 3.22Å; H79-V82 PolarHBondContact O-N 2.84Å; P80-V82 PolarHBondContact O-N 2.9Å; P80-V82 VanDerWaalsContact O-N 3.15Å; V82-K84 VanDerWaalsContact C-N 3.25Å; V82-K84 PolarHBondContact O-N 3.07Å; V82-R85 WeakPolarHBondContact O-CG 3.36Å; V82-R85 PolarHBondContact O-N 2.65Å; V82-I88 HydrophobicContact CG1-CD1 3.72Å; V82-I88 VanDerWaalsContact O-CD1 3.28Å; V82-I88 WeakPolarHBondContact O-CD1 3.37Å; V82-W195 HydrophobicContact CG1-CH2 4.23Å |
| 83 | F | 95.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.7 | -10.5 | -178.1 | -57.2 | -62.2 | 0 | 0 | 0 | 114 | I78 P80 E81 I88 V89 I92 L200 | I78-F83 HydrophobicContact CB-CE2 3.98Å; I78-F83 HydrophobicContact CB-CZ 3.97Å; I78-F83 HydrophobicContact CD1-CZ 3.93Å; I78-F83 HydrophobicContact CG2-CD2 4.46Å; I78-F83 HydrophobicContact CG2-CE1 4.37Å; I78-F83 HydrophobicContact CG2-CE2 3.64Å; I78-F83 HydrophobicContact CG2-CZ 3.6Å; P80-F83 PolarHBondContact O-N 3.12Å; E81-F83 VanDerWaalsContact C-N 3.27Å; E81-F83 PolarHBondContact O-N 3.06Å; F83-I88 HydrophobicContact CD1-CG2 4.15Å; F83-V89 WeakPolarHBondContact O-CG2 3.45Å; F83-I92 HydrophobicContact CD1-CD1 3.73Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; F83-L200 HydrophobicContact CE1-CD2 3.88Å; F83-L200 HydrophobicContact CE1-CG 4.4Å; F83-L200 HydrophobicContact CZ-CD2 4.25Å |
| 84 | K | 96 | Very high | 96.7 | Very high | 135 Ų | 135 | 49.6 Ų | 49.6 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5.9 | 175.8 | -62.2 | -174.6 | -172.9 | 170.2 | 0 | 113.5 | E81 V82 | E81-K84 PolarHBondContact O-N 2.88Å; E81-K84 WeakPolarHBondContact OE1-CD 3.39Å; E81-K84 VanDerWaalsContact OE1-CE 3.31Å; E81-K84 WeakPolarHBondContact OE1-CE 3.44Å; E81-K84 IonicContact OE1-NZ 3.34Å; E81-K84 PolarHBondContact OE1-NZ 2.82Å; V82-K84 VanDerWaalsContact C-N 3.25Å; V82-K84 PolarHBondContact O-N 3.07Å |
| 85 | R | 95.1 | Very high | 96.7 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 28% | 0.275 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -69.9 | 133 | -179.9 | -64.1 | -173.8 | 170.5 | -68.6 | -11.5 | 110.2 | K48 V82 T87 I88 V89 | K48-R85 PolarHBondContact O-NE 3.3Å; K48-R85 PolarHBondContact O-NH2 3.32Å; V82-R85 WeakPolarHBondContact O-CG 3.36Å; V82-R85 PolarHBondContact O-N 2.65Å; R85-T87 VanDerWaalsContact C-N 3.31Å; R85-T87 PolarHBondContact O-N 3.3Å; R85-T87 VanDerWaalsContact O-N 3.12Å; R85-I88 HydrophobicContact CB-CB 4.28Å; R85-I88 HydrophobicContact CB-CD1 4.24Å; R85-I88 HydrophobicContact CB-CG1 4.3Å; R85-I88 CarbonylContact O-C 3.59Å; R85-I88 WeakPolarHBondContact O-CA 3.46Å; R85-I88 PolarHBondContact O-N 2.91Å; R85-V89 WeakPolarHBondContact O-CG2 3.31Å; R85-V89 PolarHBondContact O-N 3.1Å |
| 86 | R | 96.9 | Very high | 96.7 | Very high | 143 Ų | 143 | 53.6 Ų | 53.6 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -45 | -49.6 | -173.8 | -171.7 | -176.8 | -178 | -169.7 | 0.7 | 114.2 | A90 H121 A122 | R86-A90 PolarHBondContact O-N 2.99Å; R86-A90 VanDerWaalsContact O-N 3.1Å; R86-H121 PolarHBondContact NH2-CD2 3.27Å; R86-H121 PolarHBondContact NH2-NE2 3.27Å; R86-A122 HydrophobicContact CG-CB 4.04Å |
| 87 | T | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -34.4 | -179.5 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | R85 F91 A122 V123 E244 | R85-T87 VanDerWaalsContact C-N 3.31Å; R85-T87 PolarHBondContact O-N 3.3Å; R85-T87 VanDerWaalsContact O-N 3.12Å; T87-F91 WeakPolarHBondContact O-CB 3.4Å; T87-F91 PolarHBondContact O-N 3.48Å; T87-A122 HydrophobicContact CG2-CB 3.9Å; T87-A122 WeakPolarHBondContact CG2-O 3.43Å; T87-V123 HydrophobicContact CG2-CG2 4.35Å; T87-E244 WeakPolarHBondContact CB-OE2 3.22Å; T87-E244 HydrophobicContact CG2-CB 4.29Å; T87-E244 HydrophobicContact CG2-CG 4.47Å; T87-E244 VanDerWaalsContact CG2-OE2 3.28Å; T87-E244 WeakPolarHBondContact CG2-OE2 2.74Å; T87-E244 VanDerWaalsContact OG1-CD 3.26Å; T87-E244 PolarHBondContact OG1-OE1 3.35Å; T87-E244 PolarHBondContact OG1-OE2 3.33Å |
| 88 | I | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.1 | -40.8 | 176.4 | -64.4 | 178.9 | 0 | 0 | 0 | 110.5 | I49 V82 F83 R85 F91 I92 I196 P243 | I49-I88 HydrophobicContact CD1-CD1 4.23Å; V82-I88 HydrophobicContact CG1-CD1 3.72Å; V82-I88 VanDerWaalsContact O-CD1 3.28Å; V82-I88 WeakPolarHBondContact O-CD1 3.37Å; F83-I88 HydrophobicContact CD1-CG2 4.15Å; R85-I88 HydrophobicContact CB-CB 4.28Å; R85-I88 HydrophobicContact CB-CD1 4.24Å; R85-I88 HydrophobicContact CB-CG1 4.3Å; R85-I88 CarbonylContact O-C 3.59Å; R85-I88 WeakPolarHBondContact O-CA 3.46Å; R85-I88 PolarHBondContact O-N 2.91Å; I88-F91 PolarHBondContact O-N 3.08Å; I88-I92 HydrophobicContact CG2-CD1 3.72Å; I88-I92 HydrophobicContact CG2-CG1 4.29Å; I88-I92 WeakPolarHBondContact O-CB 3.11Å; I88-I92 VanDerWaalsContact O-CG1 3.25Å; I88-I92 WeakPolarHBondContact O-CG1 2.9Å; I88-I92 PolarHBondContact O-N 2.93Å; I88-I196 HydrophobicContact CD1-CD1 3.85Å; I88-I196 HydrophobicContact CG1-CD1 3.92Å; I88-I196 HydrophobicContact CG2-CG2 4.5Å; I88-P243 HydrophobicContact CG1-CG 3.95Å |
| 89 | V | 98.3 | Very high | 97 | Very high | 74 Ų | 74 | 51 Ų | 51 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | F83 R85 F91 I92 D93 | F83-V89 WeakPolarHBondContact O-CG2 3.45Å; R85-V89 WeakPolarHBondContact O-CG2 3.31Å; R85-V89 PolarHBondContact O-N 3.1Å; V89-F91 VanDerWaalsContact C-N 3.31Å; V89-F91 PolarHBondContact O-N 3.46Å; V89-I92 PolarHBondContact O-N 2.94Å; V89-D93 WeakPolarHBondContact O-CB 3.34Å; V89-D93 PolarHBondContact O-N 2.78Å |
| 90 | A | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 13% | 0.132 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | R86 L94 F119 A122 | R86-A90 PolarHBondContact O-N 2.99Å; R86-A90 VanDerWaalsContact O-N 3.1Å; A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.39Å; A90-F119 HydrophobicContact CB-CB 4.2Å; A90-F119 HydrophobicContact CB-CD2 4.24Å; A90-A122 HydrophobicContact CB-CB 4.31Å |
| 91 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 175.5 | -179.5 | -136.7 | 0 | 0 | 0 | 111.5 | T87 I88 V89 D93 L94 M95 F119 F176 F180 L181 N194 I196 P243 | T87-F91 WeakPolarHBondContact O-CB 3.4Å; T87-F91 PolarHBondContact O-N 3.48Å; I88-F91 PolarHBondContact O-N 3.08Å; V89-F91 VanDerWaalsContact C-N 3.31Å; V89-F91 PolarHBondContact O-N 3.46Å; F91-D93 VanDerWaalsContact C-N 3.35Å; F91-D93 PolarHBondContact O-N 2.88Å; F91-L94 PolarHBondContact O-N 3Å; F91-M95 HydrophobicContact CD1-CE 3.31Å; F91-M95 HydrophobicContact CD2-CE 4.17Å; F91-M95 HydrophobicContact CE1-CE 2.98Å; F91-M95 HydrophobicContact CE2-CE 3.88Å; F91-M95 HydrophobicContact CG-CE 3.9Å; F91-M95 HydrophobicContact CZ-CE 3.29Å; F91-M95 VanDerWaalsContact O-CG 3.29Å; F91-M95 WeakPolarHBondContact O-CG 3.32Å; F91-M95 PolarHBondContact O-N 3.33Å; F91-F119 HydrophobicContact CB-CD2 3.95Å; F91-F119 HydrophobicContact CB-CE2 3.66Å; F91-F119 HydrophobicContact CD2-CE2 4.04Å; F91-F119 HydrophobicContact CD2-CZ 4.08Å; F91-F119 HydrophobicContact CG-CE2 4.16Å; F91-F176 HydrophobicContact CD2-CE2 4.08Å; F91-F176 AromaticContact CD2-CZ 3.74Å; F91-F176 HydrophobicContact CD2-CZ 3.74Å; F91-F176 AromaticContact CE2-CE2 3.79Å; F91-F176 HydrophobicContact CE2-CE2 3.79Å; F91-F176 AromaticContact CE2-CZ 3.52Å; F91-F176 HydrophobicContact CE2-CZ 3.52Å; F91-F180 HydrophobicContact CE2-CB 4.05Å; F91-F180 HydrophobicContact CE2-CD1 4.3Å; F91-F180 HydrophobicContact CE2-CG 4.43Å; F91-F180 HydrophobicContact CZ-CB 4.02Å; F91-F180 HydrophobicContact CZ-CD1 4.06Å; F91-F180 HydrophobicContact CZ-CG 4.45Å; F91-L181 HydrophobicContact CE2-CD2 4.14Å; F91-L181 HydrophobicContact CZ-CD2 4.33Å; F91-N194 WeakPolarHBondContact CE1-OD1 3.3Å; F91-I196 HydrophobicContact CD1-CG2 4.42Å; F91-I196 HydrophobicContact CE1-CB 4.19Å; F91-I196 HydrophobicContact CE1-CG2 4.39Å; F91-P243 HydrophobicContact CB-CB 4.35Å; F91-P243 HydrophobicContact CB-CG 3.95Å; F91-P243 HydrophobicContact CD1-CB 4.31Å; F91-P243 HydrophobicContact CD1-CG 3.65Å; F91-P243 HydrophobicContact CE1-CG 4.35Å; F91-P243 HydrophobicContact CG-CB 4.27Å; F91-P243 HydrophobicContact CG-CG 3.95Å |
| 92 | I | 98.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 179.4 | -68.6 | 172.6 | 0 | 0 | 0 | 111.1 | F83 I88 V89 L94 M95 L200 | F83-I92 HydrophobicContact CD1-CD1 3.73Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; I88-I92 HydrophobicContact CG2-CD1 3.72Å; I88-I92 HydrophobicContact CG2-CG1 4.29Å; I88-I92 WeakPolarHBondContact O-CB 3.11Å; I88-I92 VanDerWaalsContact O-CG1 3.25Å; I88-I92 WeakPolarHBondContact O-CG1 2.9Å; I88-I92 PolarHBondContact O-N 2.93Å; V89-I92 PolarHBondContact O-N 2.94Å; I92-L94 VanDerWaalsContact C-N 3.29Å; I92-L94 PolarHBondContact O-N 3.34Å; I92-M95 HydrophobicContact CG1-CE 4.43Å; I92-M95 WeakPolarHBondContact O-CB 3.44Å; I92-M95 PolarHBondContact O-N 2.71Å; I92-L200 HydrophobicContact CD1-CD1 3.81Å; I92-L200 HydrophobicContact CD1-CD2 4.46Å; I92-L200 HydrophobicContact CG1-CD1 3.66Å |
| 93 | D | 98.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 176.7 | -174.3 | 44.8 | 0 | 0 | 0 | 112.1 | V89 F91 S96 K115 | V89-D93 WeakPolarHBondContact O-CB 3.34Å; V89-D93 PolarHBondContact O-N 2.78Å; F91-D93 VanDerWaalsContact C-N 3.35Å; F91-D93 PolarHBondContact O-N 2.88Å; D93-S96 PolarHBondContact O-OG 3.06Å; D93-K115 VanDerWaalsContact CG-CE 3.46Å; D93-K115 WeakPolarHBondContact O-CD 3.23Å; D93-K115 PolarHBondContact O-NZ 2.92Å; D93-K115 WeakPolarHBondContact OD1-CE 3.02Å; D93-K115 IonicContact OD1-NZ 3.31Å; D93-K115 PolarHBondContact OD1-NZ 2.66Å; D93-K115 VanDerWaalsContact OD2-CE 3.3Å; D93-K115 WeakPolarHBondContact OD2-CE 3.17Å; D93-K115 IonicContact OD2-NZ 2.81Å |
| 94 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.8 | -32.8 | 174.6 | 178.4 | 57.2 | 0 | 0 | 0 | 112.9 | A90 F91 I92 S96 E97 Y98 K115 I116 F119 F159 F176 | A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.39Å; F91-L94 PolarHBondContact O-N 3Å; I92-L94 VanDerWaalsContact C-N 3.29Å; I92-L94 PolarHBondContact O-N 3.34Å; L94-S96 PolarHBondContact O-N 2.85Å; L94-S96 VanDerWaalsContact O-N 3.11Å; L94-E97 PolarHBondContact O-N 2.9Å; L94-Y98 HydrophobicContact CD1-CE2 3.73Å; L94-Y98 HydrophobicContact CG-CE2 3.88Å; L94-Y98 WeakPolarHBondContact O-CD2 3.21Å; L94-K115 HydrophobicContact CB-CB 4.42Å; L94-K115 HydrophobicContact CD1-CB 3.86Å; L94-I116 HydrophobicContact CD1-CG1 3.64Å; L94-I116 HydrophobicContact CD2-CG1 4.24Å; L94-F119 HydrophobicContact CD2-CB 3.77Å; L94-F119 HydrophobicContact CD2-CD1 3.68Å; L94-F119 HydrophobicContact CD2-CG 3.88Å; L94-F159 HydrophobicContact CD2-CE1 3.85Å; L94-F159 HydrophobicContact CD2-CZ 4.37Å; L94-F176 HydrophobicContact CD2-CE1 3.88Å; L94-F176 HydrophobicContact CD2-CZ 3.77Å; L94-F176 HydrophobicContact CG-CE1 4.15Å; L94-F176 HydrophobicContact CG-CZ 4.3Å |
| 95 | M | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.9 | -28.3 | 178.9 | -64.7 | -175.7 | -174.9 | 0 | 0 | 113.5 | F91 I92 E97 L181 I196 R197 L200 | F91-M95 HydrophobicContact CD1-CE 3.31Å; F91-M95 HydrophobicContact CD2-CE 4.17Å; F91-M95 HydrophobicContact CE1-CE 2.98Å; F91-M95 HydrophobicContact CE2-CE 3.88Å; F91-M95 HydrophobicContact CG-CE 3.9Å; F91-M95 HydrophobicContact CZ-CE 3.29Å; F91-M95 VanDerWaalsContact O-CG 3.29Å; F91-M95 WeakPolarHBondContact O-CG 3.32Å; F91-M95 PolarHBondContact O-N 3.33Å; I92-M95 HydrophobicContact CG1-CE 4.43Å; I92-M95 WeakPolarHBondContact O-CB 3.44Å; I92-M95 PolarHBondContact O-N 2.71Å; M95-E97 PolarHBondContact O-N 3.12Å; M95-L181 HydrophobicContact CB-CD2 4.33Å; M95-L181 HydrophobicContact CG-CD2 3.69Å; M95-L181 HydrophobicContact SD-CD2 4.46Å; M95-I196 HydrophobicContact CE-CG2 4.42Å; M95-R197 HydrophobicContact CE-CB 4.15Å; M95-L200 HydrophobicContact CE-CD1 4.12Å; M95-L200 HydrophobicContact SD-CD1 3.95Å |
| 96 | S | 95.7 | Very high | 97.7 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 56% | 0.559 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.3 | -176.4 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | D93 L94 K115 | D93-S96 PolarHBondContact O-OG 3.06Å; L94-S96 PolarHBondContact O-N 2.85Å; L94-S96 VanDerWaalsContact O-N 3.11Å; S96-K115 PolarHBondContact OG-NZ 2.83Å |
| 97 | E | 97.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1.7 | -174.1 | -51.7 | -56.6 | 114.2 | 0 | 0 | 113.8 | L94 M95 Q111 K112 K115 | L94-E97 PolarHBondContact O-N 2.9Å; M95-E97 PolarHBondContact O-N 3.12Å; E97-Q111 PolarHBondContact OE1-NE2 3.25Å; E97-Q111 WeakPolarHBondContact OE2-CG 3.35Å; E97-Q111 PolarHBondContact OE2-NE2 3.4Å; E97-K112 HydrophobicContact CB-CB 4.17Å; E97-K112 HydrophobicContact CB-CD 4.21Å; E97-K112 HydrophobicContact CB-CG 3.8Å; E97-K112 HydrophobicContact CG-CB 4.36Å; E97-K112 HydrophobicContact CG-CG 4.32Å; E97-K115 VanDerWaalsContact CD-CD 3.47Å; E97-K115 HydrophobicContact CG-CD 3.39Å; E97-K115 WeakPolarHBondContact OE1-CE 3.27Å; E97-K115 IonicContact OE1-NZ 3.31Å; E97-K115 PolarHBondContact OE1-NZ 2.77Å |
| 98 | Y | 97.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -108.3 | 134.8 | -174.2 | -68.7 | -88.7 | 0 | 0 | 0 | 111.6 | L94 K112 F176 E177 L181 | L94-Y98 HydrophobicContact CD1-CE2 3.73Å; L94-Y98 HydrophobicContact CG-CE2 3.88Å; L94-Y98 WeakPolarHBondContact O-CD2 3.21Å; Y98-K112 VanDerWaalsContact CE1-CE 3.47Å; Y98-F176 HydrophobicContact CE2-CD1 4.11Å; Y98-F176 AromaticContact CE2-CE1 3.79Å; Y98-F176 HydrophobicContact CE2-CE1 3.79Å; Y98-F176 AromaticContact CZ-CD1 3.82Å; Y98-F176 AromaticContact CZ-CE1 3.99Å; Y98-E177 HydrophobicContact CD1-CB 3.94Å; Y98-E177 VanDerWaalsContact CD1-CD 3.43Å; Y98-E177 HydrophobicContact CD1-CG 3.89Å; Y98-E177 WeakPolarHBondContact CD1-OE2 3.44Å; Y98-E177 HydrophobicContact CE1-CB 3.96Å; Y98-E177 HydrophobicContact CE1-CG 4.42Å; Y98-L181 HydrophobicContact CD1-CD1 4.24Å; Y98-L181 HydrophobicContact CD2-CD1 3.34Å; Y98-L181 HydrophobicContact CE2-CD1 3.96Å; Y98-L181 HydrophobicContact CG-CD1 3.49Å; Y98-L181 VanDerWaalsContact CG-CD1 3.49Å | ||
| 99 | D | 97 | Very high | 97.3 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | trans | -96.2 | 114.9 | 168.2 | -177.4 | -10.2 | 0 | 0 | 0 | 108.2 | V101 H104 | D99-V101 PolarHBondContact O-N 3.36Å; D99-V101 PolarHBondContact OD1-N 3.33Å; D99-V101 VanDerWaalsContact OD1-N 3.08Å; D99-H104 IonicContact OD1-ND1 3.78Å; D99-H104 IonicContact OD2-CE1 3.65Å; D99-H104 IonicContact OD2-CG 3.16Å; D99-H104 IonicContact OD2-ND1 3.89Å; D99-H104 PolarHBondContact OD2-ND1 3.02Å | ||
| 100 | P | 97.7 | Very high | 97.2 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 20% | 0.195 | 29% | 0.289 | C | S | . | . | trans | -69.5 | -4.9 | -174.5 | 31.7 | -38.4 | 0 | 0 | 0 | 114 | E183 F184 W227 | P100-E183 CarbonylContact O-C 3.57Å; P100-E183 VanDerWaalsContact O-CA 3.23Å; P100-E183 WeakPolarHBondContact O-CA 3.43Å; P100-F184 HydrophobicContact CB-CD2 3.81Å; P100-F184 HydrophobicContact CB-CE2 3.95Å; P100-F184 HydrophobicContact CG-CD2 3.84Å; P100-F184 HydrophobicContact CG-CE2 3.72Å; P100-F184 PolarHBondContact O-N 3.27Å; P100-W227 HydrophobicContact CB-CH2 3.37Å; P100-W227 HydrophobicContact CB-CZ2 3.85Å; P100-W227 HydrophobicContact CB-CZ3 4.24Å; P100-W227 HydrophobicContact CG-CH2 4.07Å; P100-W227 HydrophobicContact CG-CZ2 4.03Å | ||
| 101 | V | 98.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -87.4 | 112 | -174.1 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | D99 H104 F184 | D99-V101 PolarHBondContact O-N 3.36Å; D99-V101 PolarHBondContact OD1-N 3.33Å; D99-V101 VanDerWaalsContact OD1-N 3.08Å; V101-H104 WeakPolarHBondContact O-CB 3.31Å; V101-H104 PolarHBondContact O-N 2.99Å; V101-F184 HydrophobicContact CG2-CD2 4.18Å |
| 102 | L | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 142.5 | 174.9 | -63.3 | -176.8 | 0 | 0 | 0 | 111.8 | R164 K165 D172 E183 F184 L185 L190 | L102-R164 HydrophobicContact CD1-CB 4.42Å; L102-R164 HydrophobicContact CD1-CG 3.92Å; L102-R164 HydrophobicContact CD2-CB 4.29Å; L102-K165 HydrophobicContact CB-CB 4.1Å; L102-K165 HydrophobicContact CB-CD 4.37Å; L102-K165 WeakPolarHBondContact O-CD 3.31Å; L102-K165 PolarHBondContact O-NZ 3.07Å; L102-D172 HydrophobicContact CD2-CB 4.45Å; L102-D172 WeakPolarHBondContact CD2-O 3.33Å; L102-E183 HydrophobicContact CD1-CB 4.39Å; L102-E183 HydrophobicContact CD2-CB 4.01Å; L102-E183 HydrophobicContact CD2-CG 4.13Å; L102-E183 HydrophobicContact CG-CB 4Å; L102-F184 VanDerWaalsContact CB-O 3.3Å; L102-F184 WeakPolarHBondContact CB-O 3.36Å; L102-F184 WeakPolarHBondContact CG-O 3.31Å; L102-F184 PolarHBondContact N-O 3.45Å; L102-L185 HydrophobicContact CD1-CB 4.03Å; L102-L185 HydrophobicContact CD1-CD1 4.2Å; L102-L190 HydrophobicContact CD1-CD1 4Å |
| 103 | G | 97.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -9.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V170 D172 | G103-V170 WeakPolarHBondContact O-CG2 3.47Å; G103-D172 PolarHBondContact N-OD2 3.2Å |
| 104 | H | 97.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 64.3 Ų | 64.3 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -85.1 | 132.5 | 165.6 | -65.9 | -178.5 | 0 | 0 | 0 | 108.9 | D99 V101 E106 D172 | D99-H104 IonicContact OD1-ND1 3.78Å; D99-H104 IonicContact OD2-CE1 3.65Å; D99-H104 IonicContact OD2-CG 3.16Å; D99-H104 IonicContact OD2-ND1 3.89Å; D99-H104 PolarHBondContact OD2-ND1 3.02Å; V101-H104 WeakPolarHBondContact O-CB 3.31Å; V101-H104 PolarHBondContact O-N 2.99Å; H104-E106 PolarHBondContact O-N 3.16Å; H104-D172 WeakPolarHBondContact O-CA 3.44Å; H104-D172 WeakPolarHBondContact O-CB 3.34Å |
| 105 | E | 97.4 | Very high | 97.2 | Very high | 135 Ų | 135 | 65.6 Ų | 65.6 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 130.8 | -179.1 | -173.7 | 171.1 | -155.2 | 0 | 0 | 111.1 | K107 V170 K171 | E105-K107 PolarHBondContact O-N 2.68Å; E105-V170 HydrophobicContact CB-CB 3.81Å; E105-V170 HydrophobicContact CB-CG1 4.1Å; E105-V170 HydrophobicContact CB-CG2 3.99Å; E105-V170 HydrophobicContact CG-CB 4.02Å; E105-V170 HydrophobicContact CG-CG1 4.38Å; E105-K171 WeakPolarHBondContact CA-O 3.28Å |
| 106 | E | 95.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 126.1 | 176.8 | -79.5 | -55.7 | 114.3 | 0 | 0 | 111.3 | H104 N108 K112 E161 K171 | H104-E106 PolarHBondContact O-N 3.16Å; E106-N108 PolarHBondContact O-N 3.14Å; E106-K112 IonicContact OE2-NZ 2.8Å; E106-K112 PolarHBondContact OE2-NZ 3Å; E106-E161 HydrophobicContact CB-CG 4.2Å; E106-E161 HydrophobicContact CG-CG 4.25Å; E106-K171 WeakPolarHBondContact CB-O 3.38Å; E106-K171 PolarHBondContact N-O 3.32Å |
| 107 | K | 94 | Very high | 97.3 | Very high | 168 Ų | 168 | 63.9 Ų | 63.9 | 73% | 0.73 | 31% | 0.311 | S | S | * | . | trans | -90.1 | 85.1 | 177.9 | -67.4 | -179.1 | -175.7 | 171.9 | 0 | 110.7 | E105 D109 K112 | E105-K107 PolarHBondContact O-N 2.68Å; K107-D109 VanDerWaalsContact C-N 3.29Å; K107-D109 PolarHBondContact O-N 3.33Å; K107-D109 VanDerWaalsContact O-N 3.08Å; K107-K112 VanDerWaalsContact O-CD 3.31Å; K107-K112 WeakPolarHBondContact O-CD 3.46Å | ||
| 108 | N | 93.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | trans | -86.7 | 62.6 | 179.4 | -157.8 | -3.1 | 0 | 0 | 0 | 113.2 | E106 R113 E161 | E106-N108 PolarHBondContact O-N 3.14Å; N108-R113 PolarHBondContact O-NH1 3.41Å; N108-R113 VanDerWaalsContact OD1-CG 3.23Å; N108-R113 WeakPolarHBondContact OD1-CG 3.28Å; N108-E161 VanDerWaalsContact CB-OE1 3.32Å; N108-E161 WeakPolarHBondContact CB-OE1 3.27Å; N108-E161 WeakPolarHBondContact CB-OE2 3.38Å; N108-E161 PolarHBondContact ND2-OE1 2.55Å; N108-E161 PolarHBondContact ND2-OE2 3.32Å | ||
| 109 | D | 95.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 63.4 Ų | 63.4 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -80.2 | -179.2 | 179.5 | 70.1 | 18.8 | 0 | 0 | 0 | 113.2 | K107 Q111 K112 R113 | K107-D109 VanDerWaalsContact C-N 3.29Å; K107-D109 PolarHBondContact O-N 3.33Å; K107-D109 VanDerWaalsContact O-N 3.08Å; D109-Q111 PolarHBondContact O-N 2.65Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.5Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.28Å; D109-Q111 PolarHBondContact OD1-N 2.94Å; D109-K112 PolarHBondContact O-N 2.91Å; D109-K112 PolarHBondContact OD1-N 3.35Å; D109-R113 VanDerWaalsContact C-NH1 3.31Å; D109-R113 WeakPolarHBondContact O-CG 2.87Å; D109-R113 PolarHBondContact O-N 3.43Å; D109-R113 VanDerWaalsContact O-N 3.09Å; D109-R113 PolarHBondContact O-NH1 3.24Å | ||
| 110 | E | 97.6 | Very high | 97.5 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | -180 | -166.9 | -173.3 | 156.8 | 0 | 0 | 112.8 | R113 K114 | E110-R113 VanDerWaalsContact CA-NH2 3.34Å; E110-K114 HydrophobicContact CG-CD 4.45Å; E110-K114 WeakPolarHBondContact O-CB 3.38Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 3.42Å; E110-K114 WeakPolarHBondContact OE1-CE 3.07Å; E110-K114 IonicContact OE1-NZ 3.94Å; E110-K114 PolarHBondContact OE1-NZ 2.52Å |
| 111 | Q | 97.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69 | -50.4 | 179.4 | 177.4 | -179.9 | -44.9 | 0 | 0 | 110.5 | E97 D109 R113 K114 K115 | E97-Q111 PolarHBondContact OE1-NE2 3.25Å; E97-Q111 WeakPolarHBondContact OE2-CG 3.35Å; E97-Q111 PolarHBondContact OE2-NE2 3.4Å; D109-Q111 PolarHBondContact O-N 2.65Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.5Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.28Å; D109-Q111 PolarHBondContact OD1-N 2.94Å; Q111-R113 VanDerWaalsContact C-N 3.32Å; Q111-R113 PolarHBondContact O-N 3.32Å; Q111-K114 PolarHBondContact O-N 2.83Å; Q111-K115 HydrophobicContact CG-CD 4.35Å; Q111-K115 WeakPolarHBondContact O-CG 3.34Å; Q111-K115 PolarHBondContact O-N 3.01Å |
| 112 | K | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.3 | -172.7 | 179.3 | -178.3 | -164.4 | 0 | 111.1 | E97 Y98 E106 K107 D109 K114 K115 I116 E161 | E97-K112 HydrophobicContact CB-CB 4.17Å; E97-K112 HydrophobicContact CB-CD 4.21Å; E97-K112 HydrophobicContact CB-CG 3.8Å; E97-K112 HydrophobicContact CG-CB 4.36Å; E97-K112 HydrophobicContact CG-CG 4.32Å; Y98-K112 VanDerWaalsContact CE1-CE 3.47Å; E106-K112 IonicContact OE2-NZ 2.8Å; E106-K112 PolarHBondContact OE2-NZ 3Å; K107-K112 VanDerWaalsContact O-CD 3.31Å; K107-K112 WeakPolarHBondContact O-CD 3.46Å; D109-K112 PolarHBondContact O-N 2.91Å; D109-K112 PolarHBondContact OD1-N 3.35Å; K112-K114 PolarHBondContact O-N 2.89Å; K112-K115 PolarHBondContact O-N 3.43Å; K112-K115 VanDerWaalsContact O-N 3.17Å; K112-I116 HydrophobicContact CG-CD1 4.07Å; K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.2Å; K112-E161 IonicContact NZ-OE1 2.76Å; K112-E161 PolarHBondContact NZ-OE1 2.87Å |
| 113 | R | 98.3 | Very high | 97.6 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 45% | 0.445 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.7 | -70.1 | -170.9 | -56.2 | -91.9 | 3.5 | 112.9 | N108 D109 E110 Q111 K115 I116 D117 | N108-R113 PolarHBondContact O-NH1 3.41Å; N108-R113 VanDerWaalsContact OD1-CG 3.23Å; N108-R113 WeakPolarHBondContact OD1-CG 3.28Å; D109-R113 VanDerWaalsContact C-NH1 3.31Å; D109-R113 WeakPolarHBondContact O-CG 2.87Å; D109-R113 PolarHBondContact O-N 3.43Å; D109-R113 VanDerWaalsContact O-N 3.09Å; D109-R113 PolarHBondContact O-NH1 3.24Å; E110-R113 VanDerWaalsContact CA-NH2 3.34Å; Q111-R113 VanDerWaalsContact C-N 3.32Å; Q111-R113 PolarHBondContact O-N 3.32Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 3.07Å; R113-I116 PolarHBondContact O-N 3.1Å; R113-D117 WeakPolarHBondContact O-CB 3.32Å; R113-D117 PolarHBondContact O-N 3.46Å |
| 114 | K | 98.4 | Very high | 97.6 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.6 | -77.7 | 173.5 | -178.2 | 167.2 | 0 | 112.2 | E110 Q111 K112 D117 A118 | E110-K114 HydrophobicContact CG-CD 4.45Å; E110-K114 WeakPolarHBondContact O-CB 3.38Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 3.42Å; E110-K114 WeakPolarHBondContact OE1-CE 3.07Å; E110-K114 IonicContact OE1-NZ 3.94Å; E110-K114 PolarHBondContact OE1-NZ 2.52Å; Q111-K114 PolarHBondContact O-N 2.83Å; K112-K114 PolarHBondContact O-N 2.89Å; K114-D117 PolarHBondContact O-N 3.19Å; K114-A118 WeakPolarHBondContact O-CB 3.47Å; K114-A118 PolarHBondContact O-N 3.28Å |
| 115 | K | 98.6 | Very high | 97.5 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 177.7 | -71.4 | 177.8 | 164.2 | -154.9 | 0 | 112.3 | D93 L94 S96 E97 Q111 K112 R113 D117 A118 F119 | D93-K115 VanDerWaalsContact CG-CE 3.46Å; D93-K115 WeakPolarHBondContact O-CD 3.23Å; D93-K115 PolarHBondContact O-NZ 2.92Å; D93-K115 WeakPolarHBondContact OD1-CE 3.02Å; D93-K115 IonicContact OD1-NZ 3.31Å; D93-K115 PolarHBondContact OD1-NZ 2.66Å; D93-K115 VanDerWaalsContact OD2-CE 3.3Å; D93-K115 WeakPolarHBondContact OD2-CE 3.17Å; D93-K115 IonicContact OD2-NZ 2.81Å; L94-K115 HydrophobicContact CB-CB 4.42Å; L94-K115 HydrophobicContact CD1-CB 3.86Å; S96-K115 PolarHBondContact OG-NZ 2.83Å; E97-K115 VanDerWaalsContact CD-CD 3.47Å; E97-K115 HydrophobicContact CG-CD 3.39Å; E97-K115 WeakPolarHBondContact OE1-CE 3.27Å; E97-K115 IonicContact OE1-NZ 3.31Å; E97-K115 PolarHBondContact OE1-NZ 2.77Å; Q111-K115 HydrophobicContact CG-CD 4.35Å; Q111-K115 WeakPolarHBondContact O-CG 3.34Å; Q111-K115 PolarHBondContact O-N 3.01Å; K112-K115 PolarHBondContact O-N 3.43Å; K112-K115 VanDerWaalsContact O-N 3.17Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 3.07Å; K115-D117 VanDerWaalsContact C-N 3.34Å; K115-A118 PolarHBondContact O-N 2.97Å; K115-F119 WeakPolarHBondContact O-CB 3.49Å; K115-F119 PolarHBondContact O-N 2.79Å |
| 116 | I | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 171.1 | -68.3 | 169.5 | 0 | 0 | 0 | 109.7 | L94 K112 R113 A118 F119 V120 F159 | L94-I116 HydrophobicContact CD1-CG1 3.64Å; L94-I116 HydrophobicContact CD2-CG1 4.24Å; K112-I116 HydrophobicContact CG-CD1 4.07Å; K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.2Å; R113-I116 PolarHBondContact O-N 3.1Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.87Å; I116-F119 PolarHBondContact O-N 2.92Å; I116-V120 HydrophobicContact CG2-CG2 4.32Å; I116-V120 WeakPolarHBondContact O-CB 3.36Å; I116-V120 WeakPolarHBondContact O-CG2 3.48Å; I116-V120 PolarHBondContact O-N 3.38Å; I116-F159 HydrophobicContact CD1-CB 4.36Å; I116-F159 HydrophobicContact CD1-CD1 3.98Å; I116-F159 HydrophobicContact CD1-CG 4.41Å; I116-F159 HydrophobicContact CG1-CD1 3.88Å; I116-F159 HydrophobicContact CG1-CE1 4.23Å; I116-F159 HydrophobicContact CG2-CB 4.32Å; I116-F159 HydrophobicContact CG2-CD1 3.9Å; I116-F159 HydrophobicContact CG2-CD2 4.02Å; I116-F159 HydrophobicContact CG2-CE1 4.22Å; I116-F159 HydrophobicContact CG2-CE2 4.32Å; I116-F159 HydrophobicContact CG2-CG 3.8Å; I116-F159 HydrophobicContact CG2-CZ 4.42Å |
| 117 | D | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | -179.9 | -87.6 | -39.3 | 0 | 0 | 0 | 112.7 | R113 K114 K115 H121 R151 K155 | R113-D117 WeakPolarHBondContact O-CB 3.32Å; R113-D117 PolarHBondContact O-N 3.46Å; K114-D117 PolarHBondContact O-N 3.19Å; K115-D117 VanDerWaalsContact C-N 3.34Å; D117-H121 WeakPolarHBondContact O-CB 3.48Å; D117-H121 PolarHBondContact O-N 2.75Å; D117-R151 PolarHBondContact O-NH2 3.48Å; D117-R151 IonicContact OD1-CZ 2.64Å; D117-R151 IonicContact OD1-NH1 2.78Å; D117-R151 PolarHBondContact OD1-NH1 3.21Å; D117-R151 IonicContact OD1-NH2 3.63Å; D117-R151 PolarHBondContact OD1-NH2 3.22Å; D117-K155 WeakPolarHBondContact OD1-CE 3.19Å; D117-K155 IonicContact OD1-NZ 3.51Å; D117-K155 PolarHBondContact OD1-NZ 3.26Å |
| 118 | A | 98.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K114 K115 I116 A122 | K114-A118 WeakPolarHBondContact O-CB 3.47Å; K114-A118 PolarHBondContact O-N 3.28Å; K115-A118 PolarHBondContact O-N 2.97Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.87Å; A118-A122 WeakPolarHBondContact O-CB 3.38Å; A118-A122 PolarHBondContact O-N 3.44Å |
| 119 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -50.4 | 176.9 | 174.6 | -115.2 | 0 | 0 | 0 | 111.8 | A90 F91 L94 K115 I116 H121 A122 V123 F159 F176 P243 M247 | A90-F119 HydrophobicContact CB-CB 4.2Å; A90-F119 HydrophobicContact CB-CD2 4.24Å; F91-F119 HydrophobicContact CB-CD2 3.95Å; F91-F119 HydrophobicContact CB-CE2 3.66Å; F91-F119 HydrophobicContact CD2-CE2 4.04Å; F91-F119 HydrophobicContact CD2-CZ 4.08Å; F91-F119 HydrophobicContact CG-CE2 4.16Å; L94-F119 HydrophobicContact CD2-CB 3.77Å; L94-F119 HydrophobicContact CD2-CD1 3.68Å; L94-F119 HydrophobicContact CD2-CG 3.88Å; K115-F119 WeakPolarHBondContact O-CB 3.49Å; K115-F119 PolarHBondContact O-N 2.79Å; I116-F119 PolarHBondContact O-N 2.92Å; F119-H121 VanDerWaalsContact C-N 3.31Å; F119-H121 PolarHBondContact O-N 3.28Å; F119-A122 PolarHBondContact O-N 2.96Å; F119-A122 VanDerWaalsContact O-N 3.16Å; F119-V123 HydrophobicContact CD2-CG2 4.16Å; F119-V123 HydrophobicContact CE1-CG2 4.24Å; F119-V123 HydrophobicContact CE2-CG2 3.65Å; F119-V123 HydrophobicContact CZ-CG2 3.71Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 3.47Å; F119-F159 HydrophobicContact CD1-CE1 4.48Å; F119-F159 AromaticContact CD1-CZ 3.77Å; F119-F159 HydrophobicContact CD1-CZ 3.77Å; F119-F159 AromaticContact CE1-CZ 3.95Å; F119-F159 HydrophobicContact CE1-CZ 3.95Å; F119-F176 HydrophobicContact CD1-CE2 4.19Å; F119-F176 HydrophobicContact CE1-CD2 4.18Å; F119-F176 AromaticContact CE1-CE2 3.48Å; F119-F176 HydrophobicContact CE1-CE2 3.48Å; F119-F176 VanDerWaalsContact CE1-CE2 3.48Å; F119-F176 HydrophobicContact CE1-CZ 4.16Å; F119-F176 AromaticContact CZ-CE2 4Å; F119-F176 HydrophobicContact CZ-CE2 4Å; F119-P243 HydrophobicContact CE2-CB 3.85Å; F119-P243 HydrophobicContact CZ-CB 4.07Å; F119-M247 HydrophobicContact CZ-CG 4.29Å |
| 120 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I116 A122 V123 M124 R151 F154 K155 F159 | I116-V120 HydrophobicContact CG2-CG2 4.32Å; I116-V120 WeakPolarHBondContact O-CB 3.36Å; I116-V120 WeakPolarHBondContact O-CG2 3.48Å; I116-V120 PolarHBondContact O-N 3.38Å; V120-A122 PolarHBondContact O-N 3.3Å; V120-V123 PolarHBondContact O-N 3.28Å; V120-M124 HydrophobicContact CG1-CE 4.14Å; V120-M124 HydrophobicContact CG1-CG 4.03Å; V120-M124 WeakPolarHBondContact O-CB 3.27Å; V120-M124 WeakPolarHBondContact O-CG 3.23Å; V120-M124 PolarHBondContact O-N 3.36Å; V120-R151 HydrophobicContact CG1-CG 3.86Å; V120-F154 HydrophobicContact CG1-CD1 4.1Å; V120-F154 HydrophobicContact CG2-CD1 4.45Å; V120-K155 HydrophobicContact CB-CG 4.26Å; V120-K155 HydrophobicContact CG1-CD 4.44Å; V120-K155 HydrophobicContact CG1-CG 4.04Å; V120-K155 HydrophobicContact CG2-CG 3.82Å; V120-F159 HydrophobicContact CG2-CD2 4.26Å; V120-F159 HydrophobicContact CG2-CE2 3.55Å; V120-F159 HydrophobicContact CG2-CZ 4.12Å |
| 121 | H | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 36% | 0.356 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.5 | 177 | 71.5 | 0 | 0 | 0 | 112 | R86 D117 F119 V123 M124 E125 | R86-H121 PolarHBondContact NH2-CD2 3.27Å; R86-H121 PolarHBondContact NH2-NE2 3.27Å; D117-H121 WeakPolarHBondContact O-CB 3.48Å; D117-H121 PolarHBondContact O-N 2.75Å; F119-H121 VanDerWaalsContact C-N 3.31Å; F119-H121 PolarHBondContact O-N 3.28Å; H121-V123 VanDerWaalsContact C-N 3.33Å; H121-V123 PolarHBondContact O-N 3.15Å; H121-M124 PolarHBondContact O-N 3.41Å; H121-E125 WeakPolarHBondContact O-CB 3.18Å; H121-E125 WeakPolarHBondContact O-CG 3.45Å; H121-E125 PolarHBondContact O-N 3.02Å |
| 122 | A | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R86 T87 A90 A118 F119 V120 | R86-A122 HydrophobicContact CG-CB 4.04Å; T87-A122 HydrophobicContact CG2-CB 3.9Å; T87-A122 WeakPolarHBondContact CG2-O 3.43Å; A90-A122 HydrophobicContact CB-CB 4.31Å; A118-A122 WeakPolarHBondContact O-CB 3.38Å; A118-A122 PolarHBondContact O-N 3.44Å; F119-A122 PolarHBondContact O-N 2.96Å; F119-A122 VanDerWaalsContact O-N 3.16Å; V120-A122 PolarHBondContact O-N 3.3Å |
| 123 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -48.1 | 176.3 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | T87 F119 V120 H121 E125 S126 M129 F154 E244 M247 | T87-V123 HydrophobicContact CG2-CG2 4.35Å; F119-V123 HydrophobicContact CD2-CG2 4.16Å; F119-V123 HydrophobicContact CE1-CG2 4.24Å; F119-V123 HydrophobicContact CE2-CG2 3.65Å; F119-V123 HydrophobicContact CZ-CG2 3.71Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 3.47Å; V120-V123 PolarHBondContact O-N 3.28Å; H121-V123 VanDerWaalsContact C-N 3.33Å; H121-V123 PolarHBondContact O-N 3.15Å; V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 2.92Å; V123-S126 VanDerWaalsContact O-CB 3.23Å; V123-S126 WeakPolarHBondContact O-CB 3.48Å; V123-S126 PolarHBondContact O-N 2.83Å; V123-S126 PolarHBondContact O-OG 2.86Å; V123-M129 HydrophobicContact CG1-CB 4.37Å; V123-M129 HydrophobicContact CG1-CE 3.32Å; V123-M129 HydrophobicContact CG1-CG 4.25Å; V123-M129 WeakPolarHBondContact O-CB 3.27Å; V123-F154 HydrophobicContact CG1-CZ 4.43Å; V123-E244 HydrophobicContact CB-CB 4.4Å; V123-E244 HydrophobicContact CG1-CB 4.07Å; V123-E244 HydrophobicContact CG2-CB 4.25Å; V123-M247 HydrophobicContact CG1-CB 4.33Å |
| 124 | M | 97.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -33.2 | 179.7 | -69.4 | -68.2 | 169.8 | 0 | 0 | 112.9 | V120 H121 S126 M129 L133 F150 F154 | V120-M124 HydrophobicContact CG1-CE 4.14Å; V120-M124 HydrophobicContact CG1-CG 4.03Å; V120-M124 WeakPolarHBondContact O-CB 3.27Å; V120-M124 WeakPolarHBondContact O-CG 3.23Å; V120-M124 PolarHBondContact O-N 3.36Å; H121-M124 PolarHBondContact O-N 3.41Å; M124-S126 PolarHBondContact O-N 2.88Å; M124-M129 HydrophobicContact SD-CG 3.7Å; M124-M129 HydrophobicContact SD-SD 4.44Å; M124-L133 HydrophobicContact SD-CD1 4.46Å; M124-F150 HydrophobicContact CE-CD1 3.91Å; M124-F150 HydrophobicContact CE-CE1 3.63Å; M124-F150 HydrophobicContact SD-CD1 3.95Å; M124-F150 HydrophobicContact SD-CE1 3.8Å; M124-F154 HydrophobicContact CE-CB 3.44Å; M124-F154 VanDerWaalsContact CE-CB 3.44Å; M124-F154 HydrophobicContact CE-CD1 3.3Å; M124-F154 HydrophobicContact CE-CD2 3.72Å; M124-F154 HydrophobicContact CE-CE1 3.85Å; M124-F154 HydrophobicContact CE-CE2 4.23Å; M124-F154 HydrophobicContact CE-CG 3.19Å; M124-F154 HydrophobicContact CE-CZ 4.25Å |
| 125 | E | 96.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 29 Ų | 29 | 36% | 0.36 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.9 | 176.4 | -77.8 | -53.1 | 130.5 | 0 | 0 | 114.2 | H121 V123 K130 | H121-E125 WeakPolarHBondContact O-CB 3.18Å; H121-E125 WeakPolarHBondContact O-CG 3.45Å; H121-E125 PolarHBondContact O-N 3.02Å; V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 2.92Å; E125-K130 WeakPolarHBondContact O-CE 3.19Å; E125-K130 PolarHBondContact O-NZ 2.75Å; E125-K130 IonicContact OE2-NZ 2.68Å; E125-K130 PolarHBondContact OE2-NZ 3.32Å |
| 126 | S | 97.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -69.8 | 148.4 | -178.2 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | V123 M124 V128 M129 K130 E244 | V123-S126 VanDerWaalsContact O-CB 3.23Å; V123-S126 WeakPolarHBondContact O-CB 3.48Å; V123-S126 PolarHBondContact O-N 2.83Å; V123-S126 PolarHBondContact O-OG 2.86Å; M124-S126 PolarHBondContact O-N 2.88Å; S126-V128 PolarHBondContact O-N 3.13Å; S126-M129 PolarHBondContact O-N 2.99Å; S126-M129 WeakPolarHBondContact OG-CB 3.49Å; S126-M129 PolarHBondContact OG-N 2.98Å; S126-M129 VanDerWaalsContact OG-N 3.16Å; S126-K130 WeakPolarHBondContact O-CB 3.34Å; S126-K130 WeakPolarHBondContact O-CG 3.1Å; S126-K130 PolarHBondContact O-N 3.41Å; S126-E244 WeakPolarHBondContact OG-CB 3.15Å; S126-E244 WeakPolarHBondContact OG-CG 3.32Å |
| 127 | S | 96.6 | Very high | 96 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.9 | -32.6 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | L131 | S127-L131 WeakPolarHBondContact O-CB 3.45Å; S127-L131 PolarHBondContact O-N 2.77Å |
| 128 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -44.8 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | M41 L44 D45 S126 L131 M132 E244 F245 A248 | M41-V128 HydrophobicContact CB-CG1 4.14Å; M41-V128 HydrophobicContact CE-CG1 3.55Å; M41-V128 HydrophobicContact CG-CG1 4.13Å; L44-V128 HydrophobicContact CB-CG2 3.83Å; D45-V128 HydrophobicContact CB-CG2 4.32Å; S126-V128 PolarHBondContact O-N 3.13Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.48Å; V128-M132 PolarHBondContact O-N 3.5Å; V128-M132 VanDerWaalsContact O-N 3.13Å; V128-E244 HydrophobicContact CB-CG 4.41Å; V128-F245 HydrophobicContact CG1-CB 4.44Å; V128-F245 HydrophobicContact CG1-CD2 4.31Å; V128-A248 HydrophobicContact CG1-CB 3.99Å |
| 129 | M | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 177.7 | -169.7 | 55.5 | 76.7 | 0 | 0 | 111.9 | V123 M124 S126 L131 M132 L133 F154 M247 A248 | V123-M129 HydrophobicContact CG1-CB 4.37Å; V123-M129 HydrophobicContact CG1-CE 3.32Å; V123-M129 HydrophobicContact CG1-CG 4.25Å; V123-M129 WeakPolarHBondContact O-CB 3.27Å; M124-M129 HydrophobicContact SD-CG 3.7Å; M124-M129 HydrophobicContact SD-SD 4.44Å; S126-M129 PolarHBondContact O-N 2.99Å; S126-M129 WeakPolarHBondContact OG-CB 3.49Å; S126-M129 PolarHBondContact OG-N 2.98Å; S126-M129 VanDerWaalsContact OG-N 3.16Å; M129-L131 VanDerWaalsContact C-N 3.26Å; M129-L131 PolarHBondContact O-N 2.83Å; M129-M132 HydrophobicContact CE-CE 4.29Å; M129-M132 PolarHBondContact O-N 3.39Å; M129-M132 HydrophobicContact SD-CB 4.4Å; M129-M132 HydrophobicContact SD-CE 3.27Å; M129-M132 WeakPolarHBondContact SD-CE 3.46Å; M129-M132 HydrophobicContact SD-SD 4.02Å; M129-L133 WeakPolarHBondContact O-CB 3.18Å; M129-L133 PolarHBondContact O-N 3.34Å; M129-F154 HydrophobicContact CE-CE2 3.63Å; M129-F154 HydrophobicContact CE-CZ 3.56Å; M129-F154 HydrophobicContact SD-CE2 4.34Å; M129-M247 HydrophobicContact CE-CB 4.21Å; M129-A248 HydrophobicContact CE-CB 3.81Å; M129-A248 HydrophobicContact SD-CB 4.15Å |
| 130 | K | 96.2 | Very high | 94.3 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.1 | -37.2 | 172.7 | -74.4 | 170.6 | 176.3 | 161.2 | 0 | 112.2 | E125 S126 L133 Q134 | E125-K130 WeakPolarHBondContact O-CE 3.19Å; E125-K130 PolarHBondContact O-NZ 2.75Å; E125-K130 IonicContact OE2-NZ 2.68Å; E125-K130 PolarHBondContact OE2-NZ 3.32Å; S126-K130 WeakPolarHBondContact O-CB 3.34Å; S126-K130 WeakPolarHBondContact O-CG 3.1Å; S126-K130 PolarHBondContact O-N 3.41Å; K130-L133 WeakPolarHBondContact O-CB 3.32Å; K130-Q134 PolarHBondContact O-N 3.34Å |
| 131 | L | 95.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 174.1 | -175.1 | 75.1 | 0 | 0 | 0 | 111.9 | W37 I40 M41 L44 S127 V128 M129 L133 Q134 L135 | W37-L131 HydrophobicContact CE3-CD1 3.84Å; W37-L131 HydrophobicContact CE3-CD2 4.12Å; W37-L131 HydrophobicContact CE3-CG 3.68Å; W37-L131 HydrophobicContact CH2-CD1 4.35Å; W37-L131 HydrophobicContact CZ3-CD1 3.33Å; W37-L131 HydrophobicContact CZ3-CD2 4.42Å; W37-L131 HydrophobicContact CZ3-CG 3.55Å; W37-L131 WeakPolarHBondContact CZ3-O 3.39Å; I40-L131 HydrophobicContact CB-CD2 3.81Å; I40-L131 HydrophobicContact CG2-CD1 4.04Å; I40-L131 HydrophobicContact CG2-CD2 3.48Å; I40-L131 VanDerWaalsContact CG2-CD2 3.48Å; I40-L131 HydrophobicContact CG2-CG 4.44Å; M41-L131 HydrophobicContact CB-CD2 4.43Å; M41-L131 HydrophobicContact CG-CD2 3.61Å; L44-L131 HydrophobicContact CD1-CB 4.12Å; L44-L131 HydrophobicContact CD1-CD2 3.82Å; L44-L131 HydrophobicContact CD1-CG 4.45Å; S127-L131 WeakPolarHBondContact O-CB 3.45Å; S127-L131 PolarHBondContact O-N 2.77Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.48Å; M129-L131 VanDerWaalsContact C-N 3.26Å; M129-L131 PolarHBondContact O-N 2.83Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L131-L133 PolarHBondContact O-N 3.05Å; L131-Q134 WeakPolarHBondContact O-CB 3.34Å; L131-Q134 PolarHBondContact O-N 3.37Å; L131-L135 PolarHBondContact O-N 3.03Å |
| 132 | M | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.8 | -172.9 | -169.7 | 83.2 | 0 | 0 | 111.2 | V128 M129 Q134 L135 L136 F150 A248 T251 M252 | V128-M132 PolarHBondContact O-N 3.5Å; V128-M132 VanDerWaalsContact O-N 3.13Å; M129-M132 HydrophobicContact CE-CE 4.29Å; M129-M132 PolarHBondContact O-N 3.39Å; M129-M132 HydrophobicContact SD-CB 4.4Å; M129-M132 HydrophobicContact SD-CE 3.27Å; M129-M132 WeakPolarHBondContact SD-CE 3.46Å; M129-M132 HydrophobicContact SD-SD 4.02Å; M132-Q134 VanDerWaalsContact C-N 3.29Å; M132-Q134 PolarHBondContact O-N 3.16Å; M132-L135 WeakPolarHBondContact O-CB 3.32Å; M132-L135 PolarHBondContact O-N 3.47Å; M132-L135 VanDerWaalsContact O-N 3.15Å; M132-L136 HydrophobicContact CE-CD1 4.1Å; M132-L136 WeakPolarHBondContact O-CG 3.24Å; M132-L136 PolarHBondContact O-N 2.97Å; M132-F150 HydrophobicContact CE-CE1 4.39Å; M132-F150 HydrophobicContact CE-CZ 3.73Å; M132-A248 HydrophobicContact CB-CB 4.26Å; M132-A248 VanDerWaalsContact SD-CA 3.59Å; M132-A248 HydrophobicContact SD-CB 3.89Å; M132-T251 HydrophobicContact CE-CG2 4.08Å; M132-T251 HydrophobicContact SD-CG2 4.19Å; M132-M252 HydrophobicContact SD-CB 4.43Å |
| 133 | L | 93.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.9 | -41.9 | 174.2 | -83.7 | 170.3 | 0 | 0 | 0 | 112.4 | M124 M129 K130 L131 L136 K137 T144 L147 F150 | M124-L133 HydrophobicContact SD-CD1 4.46Å; M129-L133 WeakPolarHBondContact O-CB 3.18Å; M129-L133 PolarHBondContact O-N 3.34Å; K130-L133 WeakPolarHBondContact O-CB 3.32Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L131-L133 PolarHBondContact O-N 3.05Å; L133-L136 PolarHBondContact O-N 2.95Å; L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 2.95Å; L133-T144 HydrophobicContact CD2-CG2 4.3Å; L133-L147 HydrophobicContact CD1-CD1 3.7Å; L133-L147 HydrophobicContact CD2-CD1 4.47Å; L133-F150 HydrophobicContact CD1-CE1 4.43Å; L133-F150 HydrophobicContact CD2-CD1 3.38Å; L133-F150 HydrophobicContact CD2-CD2 3.91Å; L133-F150 HydrophobicContact CD2-CE1 3.31Å; L133-F150 HydrophobicContact CD2-CE2 3.87Å; L133-F150 HydrophobicContact CD2-CG 3.66Å; L133-F150 HydrophobicContact CD2-CZ 3.57Å; L133-F150 HydrophobicContact CG-CD1 4.3Å; L133-F150 HydrophobicContact CG-CE1 3.94Å; L133-F150 HydrophobicContact CG-CZ 4.32Å |
| 134 | Q | 92.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 49% | 0.486 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 176.6 | -174.5 | -179.1 | -4.5 | 0 | 0 | 112 | W37 K130 L131 M132 K137 I138 | W37-Q134 HydrophobicContact CH2-CG 4.48Å; K130-Q134 PolarHBondContact O-N 3.34Å; L131-Q134 WeakPolarHBondContact O-CB 3.34Å; L131-Q134 PolarHBondContact O-N 3.37Å; M132-Q134 VanDerWaalsContact C-N 3.29Å; M132-Q134 PolarHBondContact O-N 3.16Å; Q134-K137 PolarHBondContact O-N 2.91Å; Q134-I138 HydrophobicContact CG-CD1 4.04Å; Q134-I138 VanDerWaalsContact O-CG1 3.29Å; Q134-I138 WeakPolarHBondContact O-CG1 3.31Å; Q134-I138 PolarHBondContact O-N 3.1Å |
| 135 | L | 90.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 173.6 | 168.1 | 59.4 | 0 | 0 | 0 | 110.8 | L29 W37 L131 M132 K137 I138 R139 M252 | L29-L135 HydrophobicContact CD1-CD1 4.42Å; L29-L135 HydrophobicContact CD1-CD2 4.41Å; W37-L135 HydrophobicContact CB-CD2 4.44Å; W37-L135 HydrophobicContact CD2-CB 4.03Å; W37-L135 HydrophobicContact CD2-CD1 4.25Å; W37-L135 HydrophobicContact CD2-CD2 4.11Å; W37-L135 HydrophobicContact CD2-CG 4.35Å; W37-L135 HydrophobicContact CE3-CB 3.97Å; W37-L135 HydrophobicContact CG-CD1 4.46Å; W37-L135 HydrophobicContact CG-CD2 3.99Å; W37-L135 HydrophobicContact CH2-CB 3.91Å; W37-L135 HydrophobicContact CZ2-CB 3.99Å; W37-L135 HydrophobicContact CZ2-CD1 4.02Å; W37-L135 HydrophobicContact CZ3-CB 3.87Å; L131-L135 PolarHBondContact O-N 3.03Å; M132-L135 WeakPolarHBondContact O-CB 3.32Å; M132-L135 PolarHBondContact O-N 3.47Å; M132-L135 VanDerWaalsContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.16Å; L135-I138 PolarHBondContact O-N 3.32Å; L135-R139 HydrophobicContact CD1-CG 4.1Å; L135-R139 WeakPolarHBondContact O-CG 3.43Å; L135-R139 PolarHBondContact O-N 2.93Å; L135-M252 HydrophobicContact CD2-SD 3.6Å |
| 136 | L | 90.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 179.3 | -64 | 179.4 | 0 | 0 | 0 | 111.7 | L26 M132 L133 R139 K140 I141 T144 F150 L255 | L26-L136 HydrophobicContact CD1-CD2 3.53Å; L26-L136 HydrophobicContact CD2-CD2 4.06Å; L26-L136 HydrophobicContact CG-CD2 4.35Å; M132-L136 HydrophobicContact CE-CD1 4.1Å; M132-L136 WeakPolarHBondContact O-CG 3.24Å; M132-L136 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 2.95Å; L136-R139 CarbonylContact O-C 3.35Å; L136-R139 WeakPolarHBondContact O-CA 3.22Å; L136-R139 PolarHBondContact O-N 3.23Å; L136-R139 VanDerWaalsContact O-N 3.11Å; L136-K140 PolarHBondContact O-N 2.87Å; L136-I141 HydrophobicContact CB-CB 4.28Å; L136-I141 HydrophobicContact CB-CG1 4.12Å; L136-I141 HydrophobicContact CD2-CG1 4.18Å; L136-I141 WeakPolarHBondContact O-CB 3.43Å; L136-I141 VanDerWaalsContact O-CG1 3.27Å; L136-I141 WeakPolarHBondContact O-CG1 3.39Å; L136-I141 PolarHBondContact O-N 3.38Å; L136-T144 HydrophobicContact CB-CG2 3.5Å; L136-T144 VanDerWaalsContact CB-CG2 3.5Å; L136-T144 HydrophobicContact CD1-CG2 4.07Å; L136-T144 HydrophobicContact CG-CG2 4.44Å; L136-F150 HydrophobicContact CD1-CE2 3.62Å; L136-F150 HydrophobicContact CD1-CZ 3.91Å; L136-L255 HydrophobicContact CD2-CD1 4.04Å |
| 137 | K | 90.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 173.1 | -76.8 | 178.3 | 173.8 | -173.7 | 0 | 113 | L133 Q134 L135 R139 K140 T144 | L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 2.95Å; Q134-K137 PolarHBondContact O-N 2.91Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.16Å; K137-R139 PolarHBondContact O-N 3.35Å; K137-K140 WeakPolarHBondContact O-CA 3.47Å; K137-K140 PolarHBondContact O-N 3.41Å; K137-T144 WeakPolarHBondContact CA-OG1 2.95Å; K137-T144 WeakPolarHBondContact CE-O 3.3Å; K137-T144 WeakPolarHBondContact CG-OG1 3.33Å |
| 138 | I | 89.3 | Confident | 91.1 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -29.7 | 177 | -71.2 | 164.8 | 0 | 0 | 0 | 111 | W37 Q134 L135 K140 | W37-I138 HydrophobicContact CH2-CD1 4.15Å; W37-I138 HydrophobicContact CZ2-CD1 4.12Å; Q134-I138 HydrophobicContact CG-CD1 4.04Å; Q134-I138 VanDerWaalsContact O-CG1 3.29Å; Q134-I138 WeakPolarHBondContact O-CG1 3.31Å; Q134-I138 PolarHBondContact O-N 3.1Å; L135-I138 PolarHBondContact O-N 3.32Å; I138-K140 VanDerWaalsContact C-N 3.25Å; I138-K140 PolarHBondContact O-N 2.9Å |
| 139 | R | 86.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4 | 175.7 | -61.2 | -50.7 | -51.5 | -69.9 | 0.9 | 114.2 | E25 L26 L135 L136 K137 I141 | E25-R139 PolarHBondContact O-NH1 3.31Å; E25-R139 PolarHBondContact O-NH2 3.5Å; L26-R139 HydrophobicContact CD2-CB 4.09Å; L26-R139 HydrophobicContact CD2-CG 3.87Å; L135-R139 HydrophobicContact CD1-CG 4.1Å; L135-R139 WeakPolarHBondContact O-CG 3.43Å; L135-R139 PolarHBondContact O-N 2.93Å; L136-R139 CarbonylContact O-C 3.35Å; L136-R139 WeakPolarHBondContact O-CA 3.22Å; L136-R139 PolarHBondContact O-N 3.23Å; L136-R139 VanDerWaalsContact O-N 3.11Å; K137-R139 PolarHBondContact O-N 3.35Å; R139-I141 VanDerWaalsContact C-N 3.26Å; R139-I141 HydrophobicContact CB-CG1 4.2Å; R139-I141 PolarHBondContact O-N 3.43Å |
| 140 | K | 85.8 | Confident | 90.7 | Very high | 167 Ų | 167 | 59.6 Ų | 59.6 | 73% | 0.726 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 22.9 | 178.4 | -54.6 | -173.1 | 178.6 | -177.8 | 0 | 114.9 | L136 K137 I138 E142 | L136-K140 PolarHBondContact O-N 2.87Å; K137-K140 WeakPolarHBondContact O-CA 3.47Å; K137-K140 PolarHBondContact O-N 3.41Å; I138-K140 VanDerWaalsContact C-N 3.25Å; I138-K140 PolarHBondContact O-N 2.9Å; K140-E142 PolarHBondContact O-N 3.29Å |
| 141 | I | 86.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -61 | 109 | 175.1 | -54.7 | -69.1 | 0 | 0 | 0 | 108.9 | V22 E25 L26 L136 R139 I143 T144 | V22-I141 HydrophobicContact CB-CD1 4.45Å; V22-I141 HydrophobicContact CB-CG2 4.42Å; V22-I141 HydrophobicContact CG1-CD1 3.95Å; V22-I141 HydrophobicContact CG1-CG2 3.91Å; V22-I141 HydrophobicContact CG2-CG2 3.96Å; E25-I141 HydrophobicContact CB-CD1 3.6Å; E25-I141 HydrophobicContact CG-CD1 4.37Å; E25-I141 VanDerWaalsContact OE2-CA 3.27Å; E25-I141 WeakPolarHBondContact OE2-CA 3.09Å; E25-I141 WeakPolarHBondContact OE2-CD1 3.25Å; E25-I141 PolarHBondContact OE2-N 2.94Å; L26-I141 HydrophobicContact CD1-CD1 4.15Å; L26-I141 HydrophobicContact CG-CD1 3.92Å; L136-I141 HydrophobicContact CB-CB 4.28Å; L136-I141 HydrophobicContact CB-CG1 4.12Å; L136-I141 HydrophobicContact CD2-CG1 4.18Å; L136-I141 WeakPolarHBondContact O-CB 3.43Å; L136-I141 VanDerWaalsContact O-CG1 3.27Å; L136-I141 WeakPolarHBondContact O-CG1 3.39Å; L136-I141 PolarHBondContact O-N 3.38Å; R139-I141 VanDerWaalsContact C-N 3.26Å; R139-I141 HydrophobicContact CB-CG1 4.2Å; R139-I141 PolarHBondContact O-N 3.43Å; I141-I143 VanDerWaalsContact C-N 3.28Å; I141-I143 HydrophobicContact CG2-CG2 3.71Å; I141-I143 PolarHBondContact O-N 3.02Å; I141-T144 HydrophobicContact CB-CG2 4.17Å; I141-T144 HydrophobicContact CG2-CG2 4.13Å; I141-T144 WeakPolarHBondContact O-CB 3.18Å; I141-T144 PolarHBondContact O-N 2.98Å; I141-T144 PolarHBondContact O-OG1 3.19Å | ||
| 142 | E | 85.2 | Confident | 90.8 | Very high | 147 Ų | 147 | 60.1 Ų | 60.1 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -56.5 | -39.8 | -168.6 | -173.6 | 175.8 | -177.4 | 0 | 0 | 112.9 | K140 T144 Q145 | K140-E142 PolarHBondContact O-N 3.29Å; E142-T144 PolarHBondContact O-N 3.04Å; E142-Q145 WeakPolarHBondContact O-CB 3.46Å; E142-Q145 WeakPolarHBondContact O-CG 3.11Å; E142-Q145 PolarHBondContact O-N 2.92Å |
| 143 | I | 86.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -59 | -22.7 | -178.3 | -160.9 | 161.8 | 0 | 0 | 0 | 113.5 | I17 I141 Q145 D146 K149 F150 W153 | I17-I143 HydrophobicContact CB-CD1 4.48Å; I17-I143 HydrophobicContact CD1-CB 3.46Å; I17-I143 VanDerWaalsContact CD1-CB 3.46Å; I17-I143 HydrophobicContact CD1-CD1 3.88Å; I17-I143 HydrophobicContact CD1-CG1 3.71Å; I141-I143 VanDerWaalsContact C-N 3.28Å; I141-I143 HydrophobicContact CG2-CG2 3.71Å; I141-I143 PolarHBondContact O-N 3.02Å; I143-Q145 VanDerWaalsContact C-N 3.28Å; I143-Q145 PolarHBondContact O-N 3.04Å; I143-D146 VanDerWaalsContact O-O 3.07Å; I143-K149 HydrophobicContact CG1-CB 4.2Å; I143-F150 HydrophobicContact CG2-CD2 3.94Å; I143-W153 HydrophobicContact CD1-CB 3.16Å; I143-W153 HydrophobicContact CD1-CD2 4.21Å; I143-W153 HydrophobicContact CD1-CG 3.46Å; I143-W153 VanDerWaalsContact CD1-CG 3.46Å; I143-W153 HydrophobicContact CG1-CB 4.41Å |
| 144 | T | 88.3 | Confident | 90.9 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -80.1 | -9.1 | -178.3 | 65.7 | 0 | 0 | 0 | 0 | 114 | L133 L136 K137 I141 E142 D146 F150 | L133-T144 HydrophobicContact CD2-CG2 4.3Å; L136-T144 HydrophobicContact CB-CG2 3.5Å; L136-T144 VanDerWaalsContact CB-CG2 3.5Å; L136-T144 HydrophobicContact CD1-CG2 4.07Å; L136-T144 HydrophobicContact CG-CG2 4.44Å; K137-T144 WeakPolarHBondContact CA-OG1 2.95Å; K137-T144 WeakPolarHBondContact CE-O 3.3Å; K137-T144 WeakPolarHBondContact CG-OG1 3.33Å; I141-T144 HydrophobicContact CB-CG2 4.17Å; I141-T144 HydrophobicContact CG2-CG2 4.13Å; I141-T144 WeakPolarHBondContact O-CB 3.18Å; I141-T144 PolarHBondContact O-N 2.98Å; I141-T144 PolarHBondContact O-OG1 3.19Å; E142-T144 PolarHBondContact O-N 3.04Å; T144-D146 VanDerWaalsContact C-N 3.26Å; T144-D146 PolarHBondContact O-N 3Å; T144-F150 HydrophobicContact CG2-CD2 3.81Å; T144-F150 HydrophobicContact CG2-CE2 4.02Å |
| 145 | Q | 88.8 | Confident | 91.1 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -69.6 | -27.2 | 174.6 | -59 | -53.8 | -36.3 | 0 | 0 | 112.1 | E142 I143 | E142-Q145 WeakPolarHBondContact O-CB 3.46Å; E142-Q145 WeakPolarHBondContact O-CG 3.11Å; E142-Q145 PolarHBondContact O-N 2.92Å; I143-Q145 VanDerWaalsContact C-N 3.28Å; I143-Q145 PolarHBondContact O-N 3.04Å |
| 146 | D | 92 | Very high | 91.4 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -118 | 108.1 | 176.8 | -175.6 | -28.1 | 0 | 0 | 0 | 109.5 | I143 T144 A148 K149 F150 | I143-D146 VanDerWaalsContact O-O 3.07Å; T144-D146 VanDerWaalsContact C-N 3.26Å; T144-D146 PolarHBondContact O-N 3Å; D146-A148 PolarHBondContact O-N 3.43Å; D146-A148 WeakPolarHBondContact OD1-CB 3.45Å; D146-A148 PolarHBondContact OD1-N 2.89Å; D146-K149 HydrophobicContact CB-CB 3.98Å; D146-K149 HydrophobicContact CB-CD 3.84Å; D146-K149 HydrophobicContact CB-CG 3.85Å; D146-K149 VanDerWaalsContact CG-CG 3.46Å; D146-K149 PolarHBondContact O-N 2.98Å; D146-K149 PolarHBondContact OD1-N 3.37Å; D146-K149 VanDerWaalsContact OD1-N 3.17Å; D146-K149 WeakPolarHBondContact OD2-CD 3.43Å; D146-K149 WeakPolarHBondContact OD2-CE 3.46Å; D146-K149 WeakPolarHBondContact OD2-CG 3.46Å; D146-F150 PolarHBondContact O-N 3.36Å |
| 147 | L | 92.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.9 | -29.3 | -176.3 | -174.3 | 60.8 | 0 | 0 | 0 | 112.6 | L133 R151 | L133-L147 HydrophobicContact CD1-CD1 3.7Å; L133-L147 HydrophobicContact CD2-CD1 4.47Å; L147-R151 WeakPolarHBondContact O-CB 3.23Å; L147-R151 PolarHBondContact O-N 3.41Å |
| 148 | A | 94.1 | Very high | 92 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D146 F150 R151 E152 | D146-A148 PolarHBondContact O-N 3.43Å; D146-A148 WeakPolarHBondContact OD1-CB 3.45Å; D146-A148 PolarHBondContact OD1-N 2.89Å; A148-F150 PolarHBondContact O-N 2.89Å; A148-R151 WeakPolarHBondContact O-CB 3.11Å; A148-R151 PolarHBondContact O-N 3.27Å; A148-E152 PolarHBondContact O-N 3.28Å; A148-E152 VanDerWaalsContact O-N 3.08Å |
| 149 | K | 92.7 | Very high | 92.4 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 174.4 | -64.1 | -175.3 | -179.5 | -178.2 | 0 | 112.2 | F15 I143 D146 R151 E152 W153 | F15-K149 HydrophobicContact CE1-CB 4.24Å; F15-K149 HydrophobicContact CE1-CD 3.77Å; F15-K149 HydrophobicContact CE1-CG 3.63Å; F15-K149 HydrophobicContact CZ-CG 4.35Å; I143-K149 HydrophobicContact CG1-CB 4.2Å; D146-K149 HydrophobicContact CB-CB 3.98Å; D146-K149 HydrophobicContact CB-CD 3.84Å; D146-K149 HydrophobicContact CB-CG 3.85Å; D146-K149 VanDerWaalsContact CG-CG 3.46Å; D146-K149 PolarHBondContact O-N 2.98Å; D146-K149 PolarHBondContact OD1-N 3.37Å; D146-K149 VanDerWaalsContact OD1-N 3.17Å; D146-K149 WeakPolarHBondContact OD2-CD 3.43Å; D146-K149 WeakPolarHBondContact OD2-CE 3.46Å; D146-K149 WeakPolarHBondContact OD2-CG 3.46Å; K149-R151 VanDerWaalsContact C-N 3.29Å; K149-R151 PolarHBondContact O-N 2.89Å; K149-E152 PolarHBondContact O-N 2.98Å; K149-W153 PolarHBondContact O-N 2.66Å |
| 150 | F | 93.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175 | -176.6 | -93.6 | 0 | 0 | 0 | 112.3 | M124 M132 L133 L136 I143 T144 D146 A148 W153 F154 | M124-F150 HydrophobicContact CE-CD1 3.91Å; M124-F150 HydrophobicContact CE-CE1 3.63Å; M124-F150 HydrophobicContact SD-CD1 3.95Å; M124-F150 HydrophobicContact SD-CE1 3.8Å; M132-F150 HydrophobicContact CE-CE1 4.39Å; M132-F150 HydrophobicContact CE-CZ 3.73Å; L133-F150 HydrophobicContact CD1-CE1 4.43Å; L133-F150 HydrophobicContact CD2-CD1 3.38Å; L133-F150 HydrophobicContact CD2-CD2 3.91Å; L133-F150 HydrophobicContact CD2-CE1 3.31Å; L133-F150 HydrophobicContact CD2-CE2 3.87Å; L133-F150 HydrophobicContact CD2-CG 3.66Å; L133-F150 HydrophobicContact CD2-CZ 3.57Å; L133-F150 HydrophobicContact CG-CD1 4.3Å; L133-F150 HydrophobicContact CG-CE1 3.94Å; L133-F150 HydrophobicContact CG-CZ 4.32Å; L136-F150 HydrophobicContact CD1-CE2 3.62Å; L136-F150 HydrophobicContact CD1-CZ 3.91Å; I143-F150 HydrophobicContact CG2-CD2 3.94Å; T144-F150 HydrophobicContact CG2-CD2 3.81Å; T144-F150 HydrophobicContact CG2-CE2 4.02Å; D146-F150 PolarHBondContact O-N 3.36Å; A148-F150 PolarHBondContact O-N 2.89Å; F150-W153 AromaticContact CD2-CE3 3.87Å; F150-W153 HydrophobicContact CD2-CE3 3.87Å; F150-W153 HydrophobicContact CD2-CZ3 4.16Å; F150-W153 AromaticContact CE2-CE3 3.61Å; F150-W153 HydrophobicContact CE2-CE3 3.61Å; F150-W153 HydrophobicContact CE2-CH2 4.48Å; F150-W153 AromaticContact CE2-CZ3 3.41Å; F150-W153 HydrophobicContact CE2-CZ3 3.41Å; F150-W153 VanDerWaalsContact CE2-CZ3 3.41Å; F150-W153 HydrophobicContact CZ-CE3 4.09Å; F150-W153 AromaticContact CZ-CZ3 3.69Å; F150-W153 HydrophobicContact CZ-CZ3 3.69Å; F150-W153 PolarHBondContact O-N 2.94Å; F150-F154 HydrophobicContact CE1-CB 4.39Å; F150-F154 HydrophobicContact CE1-CD2 4.41Å; F150-F154 VanDerWaalsContact O-CB 3.25Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 2.61Å |
| 151 | R | 96.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 45 Ų | 45 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 177.5 | -178.8 | 179.3 | -177.7 | -105.5 | -0.2 | 111.5 | D117 V120 L147 A148 K149 F154 K155 | D117-R151 PolarHBondContact O-NH2 3.48Å; D117-R151 IonicContact OD1-CZ 2.64Å; D117-R151 IonicContact OD1-NH1 2.78Å; D117-R151 PolarHBondContact OD1-NH1 3.21Å; D117-R151 IonicContact OD1-NH2 3.63Å; D117-R151 PolarHBondContact OD1-NH2 3.22Å; V120-R151 HydrophobicContact CG1-CG 3.86Å; L147-R151 WeakPolarHBondContact O-CB 3.23Å; L147-R151 PolarHBondContact O-N 3.41Å; A148-R151 WeakPolarHBondContact O-CB 3.11Å; A148-R151 PolarHBondContact O-N 3.27Å; K149-R151 VanDerWaalsContact C-N 3.29Å; K149-R151 PolarHBondContact O-N 2.89Å; R151-F154 PolarHBondContact O-N 3.47Å; R151-K155 HydrophobicContact CG-CD 4.41Å; R151-K155 WeakPolarHBondContact O-CG 3.25Å; R151-K155 PolarHBondContact O-N 3.44Å |
| 152 | E | 95.6 | Very high | 94 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.1 | -43 | 178.9 | -63.1 | -47.7 | 121.9 | 0 | 0 | 111.8 | A148 K149 F154 K155 E156 | A148-E152 PolarHBondContact O-N 3.28Å; A148-E152 VanDerWaalsContact O-N 3.08Å; K149-E152 PolarHBondContact O-N 2.98Å; E152-F154 VanDerWaalsContact C-N 3.3Å; E152-F154 PolarHBondContact O-N 3.05Å; E152-K155 CarbonylContact O-C 3.54Å; E152-K155 WeakPolarHBondContact O-CA 3.45Å; E152-K155 WeakPolarHBondContact O-CB 3.14Å; E152-K155 PolarHBondContact O-N 3.22Å; E152-K155 IonicContact OE1-NZ 3.91Å; E152-K155 PolarHBondContact OE1-NZ 2.98Å; E152-K155 WeakPolarHBondContact OE2-CE 3.32Å; E152-K155 IonicContact OE2-NZ 3.91Å; E152-K155 PolarHBondContact OE2-NZ 2.88Å; E152-E156 WeakPolarHBondContact O-CG 3.37Å; E152-E156 PolarHBondContact O-N 3.19Å |
| 153 | W | 94.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 172.5 | 165.5 | 84.3 | 0 | 0 | 0 | 113.2 | F19 I143 K149 F150 K155 E156 L157 T251 L255 | F19-W153 HydrophobicContact CD1-CZ2 4.17Å; F19-W153 AromaticContact CD1-NE1 3.73Å; F19-W153 AromaticContact CE1-CE2 3.57Å; F19-W153 AromaticContact CE1-CZ2 3.57Å; F19-W153 HydrophobicContact CE1-CZ2 3.57Å; F19-W153 AromaticContact CE1-NE1 3.12Å; F19-W153 AromaticContact CE2-NE1 3.77Å; F19-W153 AromaticContact CZ-CD1 3.8Å; F19-W153 AromaticContact CZ-CE2 3.91Å; F19-W153 HydrophobicContact CZ-CZ2 4.33Å; F19-W153 AromaticContact CZ-NE1 3.16Å; I143-W153 HydrophobicContact CD1-CB 3.16Å; I143-W153 HydrophobicContact CD1-CD2 4.21Å; I143-W153 HydrophobicContact CD1-CG 3.46Å; I143-W153 VanDerWaalsContact CD1-CG 3.46Å; I143-W153 HydrophobicContact CG1-CB 4.41Å; K149-W153 PolarHBondContact O-N 2.66Å; F150-W153 AromaticContact CD2-CE3 3.87Å; F150-W153 HydrophobicContact CD2-CE3 3.87Å; F150-W153 HydrophobicContact CD2-CZ3 4.16Å; F150-W153 AromaticContact CE2-CE3 3.61Å; F150-W153 HydrophobicContact CE2-CE3 3.61Å; F150-W153 HydrophobicContact CE2-CH2 4.48Å; F150-W153 AromaticContact CE2-CZ3 3.41Å; F150-W153 HydrophobicContact CE2-CZ3 3.41Å; F150-W153 VanDerWaalsContact CE2-CZ3 3.41Å; F150-W153 HydrophobicContact CZ-CE3 4.09Å; F150-W153 AromaticContact CZ-CZ3 3.69Å; F150-W153 HydrophobicContact CZ-CZ3 3.69Å; F150-W153 PolarHBondContact O-N 2.94Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 3.41Å; W153-E156 PolarHBondContact O-N 2.96Å; W153-L157 HydrophobicContact CH2-CD2 3.92Å; W153-L157 HydrophobicContact CZ2-CD2 4.02Å; W153-L157 WeakPolarHBondContact O-CB 3.43Å; W153-L157 PolarHBondContact O-N 2.74Å; W153-T251 HydrophobicContact CH2-CG2 3.98Å; W153-T251 HydrophobicContact CZ3-CG2 4.39Å; W153-L255 HydrophobicContact CH2-CD1 4Å; W153-L255 HydrophobicContact CH2-CD2 4.23Å; W153-L255 HydrophobicContact CZ2-CD2 4.01Å |
| 154 | F | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 176.7 | -176.3 | -89.6 | 0 | 0 | 0 | 111.4 | V120 V123 M124 M129 F150 R151 E152 W158 M247 T251 | V120-F154 HydrophobicContact CG1-CD1 4.1Å; V120-F154 HydrophobicContact CG2-CD1 4.45Å; V123-F154 HydrophobicContact CG1-CZ 4.43Å; M124-F154 HydrophobicContact CE-CB 3.44Å; M124-F154 VanDerWaalsContact CE-CB 3.44Å; M124-F154 HydrophobicContact CE-CD1 3.3Å; M124-F154 HydrophobicContact CE-CD2 3.72Å; M124-F154 HydrophobicContact CE-CE1 3.85Å; M124-F154 HydrophobicContact CE-CE2 4.23Å; M124-F154 HydrophobicContact CE-CG 3.19Å; M124-F154 HydrophobicContact CE-CZ 4.25Å; M129-F154 HydrophobicContact CE-CE2 3.63Å; M129-F154 HydrophobicContact CE-CZ 3.56Å; M129-F154 HydrophobicContact SD-CE2 4.34Å; F150-F154 HydrophobicContact CE1-CB 4.39Å; F150-F154 HydrophobicContact CE1-CD2 4.41Å; F150-F154 VanDerWaalsContact O-CB 3.25Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 2.61Å; R151-F154 PolarHBondContact O-N 3.47Å; E152-F154 VanDerWaalsContact C-N 3.3Å; E152-F154 PolarHBondContact O-N 3.05Å; F154-W158 AromaticContact CE1-CD1 3.98Å; F154-W158 AromaticContact CE2-CD1 3.85Å; F154-W158 AromaticContact CE2-NE1 3.73Å; F154-W158 AromaticContact CZ-CD1 3.82Å; F154-W158 AromaticContact CZ-NE1 3.9Å; F154-W158 PolarHBondContact O-N 3.45Å; F154-M247 HydrophobicContact CE1-CE 3.43Å; F154-M247 VanDerWaalsContact CE1-CE 3.43Å; F154-M247 HydrophobicContact CE2-CE 4.4Å; F154-M247 HydrophobicContact CZ-CB 4.12Å; F154-M247 HydrophobicContact CZ-CE 3.33Å; F154-T251 HydrophobicContact CD2-CG2 4.49Å; F154-T251 HydrophobicContact CE2-CG2 4.35Å; F154-T251 WeakPolarHBondContact CE2-OG1 3.39Å |
| 155 | K | 97.5 | Very high | 95.5 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 171.1 | -79.2 | 166.7 | 60.3 | -172.1 | 0 | 110.9 | D117 V120 R151 E152 W153 L157 W158 F159 | D117-K155 WeakPolarHBondContact OD1-CE 3.19Å; D117-K155 IonicContact OD1-NZ 3.51Å; D117-K155 PolarHBondContact OD1-NZ 3.26Å; V120-K155 HydrophobicContact CB-CG 4.26Å; V120-K155 HydrophobicContact CG1-CD 4.44Å; V120-K155 HydrophobicContact CG1-CG 4.04Å; V120-K155 HydrophobicContact CG2-CG 3.82Å; R151-K155 HydrophobicContact CG-CD 4.41Å; R151-K155 WeakPolarHBondContact O-CG 3.25Å; R151-K155 PolarHBondContact O-N 3.44Å; E152-K155 CarbonylContact O-C 3.54Å; E152-K155 WeakPolarHBondContact O-CA 3.45Å; E152-K155 WeakPolarHBondContact O-CB 3.14Å; E152-K155 PolarHBondContact O-N 3.22Å; E152-K155 IonicContact OE1-NZ 3.91Å; E152-K155 PolarHBondContact OE1-NZ 2.98Å; E152-K155 WeakPolarHBondContact OE2-CE 3.32Å; E152-K155 IonicContact OE2-NZ 3.91Å; E152-K155 PolarHBondContact OE2-NZ 2.88Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 3.41Å; K155-L157 PolarHBondContact O-N 2.96Å; K155-W158 PolarHBondContact O-N 2.92Å; K155-F159 WeakPolarHBondContact O-CA 3.49Å; K155-F159 WeakPolarHBondContact O-CB 3.46Å; K155-F159 WeakPolarHBondContact O-CD2 3.31Å; K155-F159 PolarHBondContact O-N 2.92Å |
| 156 | E | 95.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 178.3 | -72.4 | 172 | 177.1 | 0 | 0 | 111.3 | E152 W153 W158 T160 | E152-E156 WeakPolarHBondContact O-CG 3.37Å; E152-E156 PolarHBondContact O-N 3.19Å; W153-E156 PolarHBondContact O-N 2.96Å; E156-W158 VanDerWaalsContact C-N 3.3Å; E156-W158 PolarHBondContact O-N 2.94Å; E156-T160 VanDerWaalsContact C-OG1 3.32Å; E156-T160 VanDerWaalsContact CA-OG1 3.3Å; E156-T160 WeakPolarHBondContact CA-OG1 3.3Å; E156-T160 WeakPolarHBondContact O-CB 3.5Å; E156-T160 PolarHBondContact O-N 2.82Å; E156-T160 PolarHBondContact O-OG1 2.88Å |
| 157 | L | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -43.5 | 179 | 176.3 | 57 | 0 | 0 | 0 | 112.7 | F19 W153 K155 T251 Y254 L283 | F19-L157 HydrophobicContact CE1-CB 4.25Å; F19-L157 HydrophobicContact CE1-CD1 3.67Å; F19-L157 HydrophobicContact CE1-CD2 4.34Å; F19-L157 HydrophobicContact CE1-CG 4.29Å; F19-L157 HydrophobicContact CZ-CB 4.03Å; F19-L157 HydrophobicContact CZ-CD1 3.94Å; F19-L157 HydrophobicContact CZ-CG 4.48Å; W153-L157 HydrophobicContact CH2-CD2 3.92Å; W153-L157 HydrophobicContact CZ2-CD2 4.02Å; W153-L157 WeakPolarHBondContact O-CB 3.43Å; W153-L157 PolarHBondContact O-N 2.74Å; K155-L157 PolarHBondContact O-N 2.96Å; L157-T251 HydrophobicContact CD2-CG2 4.06Å; L157-Y254 HydrophobicContact CD1-CD1 4.09Å; L157-Y254 HydrophobicContact CD1-CE1 3.79Å; L157-Y254 HydrophobicContact CD2-CD1 4.48Å; L157-L283 HydrophobicContact CD1-CB 3.66Å; L157-L283 HydrophobicContact CD1-CD2 3.79Å; L157-L283 HydrophobicContact CD1-CG 4.36Å; L157-L283 HydrophobicContact CG-CD2 4.16Å |
| 158 | W | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -98.6 | -32.3 | -169.1 | -77 | 105.6 | 0 | 0 | 0 | 114.3 | F154 K155 E156 A175 F176 V179 F180 M247 L250 T251 L283 V286 | F154-W158 AromaticContact CE1-CD1 3.98Å; F154-W158 AromaticContact CE2-CD1 3.85Å; F154-W158 AromaticContact CE2-NE1 3.73Å; F154-W158 AromaticContact CZ-CD1 3.82Å; F154-W158 AromaticContact CZ-NE1 3.9Å; F154-W158 PolarHBondContact O-N 3.45Å; K155-W158 PolarHBondContact O-N 2.92Å; E156-W158 VanDerWaalsContact C-N 3.3Å; E156-W158 PolarHBondContact O-N 2.94Å; W158-A175 HydrophobicContact CE3-CB 3.95Å; W158-A175 HydrophobicContact CZ3-CB 4.41Å; W158-A175 PolarHBondContact O-N 3.39Å; W158-F176 HydrophobicContact CB-CB 4.38Å; W158-F176 HydrophobicContact CE3-CB 4.46Å; W158-F176 WeakPolarHBondContact O-CB 3.39Å; W158-F176 PolarHBondContact O-N 2.92Å; W158-V179 HydrophobicContact CZ3-CB 4.14Å; W158-V179 HydrophobicContact CZ3-CG1 4.33Å; W158-V179 HydrophobicContact CZ3-CG2 4.14Å; W158-F180 HydrophobicContact CE3-CE2 4.17Å; W158-F180 HydrophobicContact CH2-CE2 4.02Å; W158-F180 HydrophobicContact CZ3-CD2 4.38Å; W158-F180 AromaticContact CZ3-CE2 3.68Å; W158-F180 HydrophobicContact CZ3-CE2 3.68Å; W158-M247 HydrophobicContact CB-CE 4.01Å; W158-M247 VanDerWaalsContact CD1-CE 3.45Å; W158-M247 HydrophobicContact CD2-CE 3.63Å; W158-M247 HydrophobicContact CD2-SD 4.09Å; W158-M247 HydrophobicContact CE3-CE 4.38Å; W158-M247 HydrophobicContact CE3-SD 4.36Å; W158-M247 HydrophobicContact CG-CE 3.42Å; W158-M247 VanDerWaalsContact CG-CE 3.42Å; W158-M247 HydrophobicContact CG-SD 4.47Å; W158-M247 HydrophobicContact CZ2-SD 4.39Å; W158-L250 HydrophobicContact CH2-CB 3.92Å; W158-L250 HydrophobicContact CH2-CD1 4.29Å; W158-L250 HydrophobicContact CZ2-CB 4.04Å; W158-T251 PolarHBondContact NE1-OG1 2.9Å; W158-L283 HydrophobicContact CD2-CD2 4.47Å; W158-L283 HydrophobicContact CE3-CD2 4.28Å; W158-L283 HydrophobicContact CH2-CD2 4.17Å; W158-L283 HydrophobicContact CZ2-CD2 4.33Å; W158-L283 HydrophobicContact CZ3-CD2 4.12Å; W158-V286 HydrophobicContact CH2-CG1 3.49Å; W158-V286 VanDerWaalsContact CH2-CG1 3.49Å; W158-V286 HydrophobicContact CZ2-CG1 4.24Å; W158-V286 HydrophobicContact CZ3-CG1 4.21Å |
| 159 | F | 98.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -118 | 0.5 | -167.6 | -59 | -86.6 | 0 | 0 | 0 | 113.7 | L94 I116 F119 V120 K155 E161 F176 M247 | L94-F159 HydrophobicContact CD2-CE1 3.85Å; L94-F159 HydrophobicContact CD2-CZ 4.37Å; I116-F159 HydrophobicContact CD1-CB 4.36Å; I116-F159 HydrophobicContact CD1-CD1 3.98Å; I116-F159 HydrophobicContact CD1-CG 4.41Å; I116-F159 HydrophobicContact CG1-CD1 3.88Å; I116-F159 HydrophobicContact CG1-CE1 4.23Å; I116-F159 HydrophobicContact CG2-CB 4.32Å; I116-F159 HydrophobicContact CG2-CD1 3.9Å; I116-F159 HydrophobicContact CG2-CD2 4.02Å; I116-F159 HydrophobicContact CG2-CE1 4.22Å; I116-F159 HydrophobicContact CG2-CE2 4.32Å; I116-F159 HydrophobicContact CG2-CG 3.8Å; I116-F159 HydrophobicContact CG2-CZ 4.42Å; F119-F159 HydrophobicContact CD1-CE1 4.48Å; F119-F159 AromaticContact CD1-CZ 3.77Å; F119-F159 HydrophobicContact CD1-CZ 3.77Å; F119-F159 AromaticContact CE1-CZ 3.95Å; F119-F159 HydrophobicContact CE1-CZ 3.95Å; V120-F159 HydrophobicContact CG2-CD2 4.26Å; V120-F159 HydrophobicContact CG2-CE2 3.55Å; V120-F159 HydrophobicContact CG2-CZ 4.12Å; K155-F159 WeakPolarHBondContact O-CA 3.49Å; K155-F159 WeakPolarHBondContact O-CB 3.46Å; K155-F159 WeakPolarHBondContact O-CD2 3.31Å; K155-F159 PolarHBondContact O-N 2.92Å; F159-E161 PolarHBondContact O-N 3.35Å; F159-F176 HydrophobicContact CD1-CB 3.96Å; F159-F176 HydrophobicContact CD1-CD1 4.15Å; F159-F176 HydrophobicContact CD1-CG 4.03Å; F159-F176 HydrophobicContact CE1-CB 3.72Å; F159-F176 AromaticContact CE1-CD1 3.55Å; F159-F176 HydrophobicContact CE1-CD1 3.55Å; F159-F176 AromaticContact CE1-CD2 3.68Å; F159-F176 HydrophobicContact CE1-CD2 3.68Å; F159-F176 HydrophobicContact CE1-CE1 4.01Å; F159-F176 HydrophobicContact CE1-CE2 4.14Å; F159-F176 AromaticContact CE1-CG 3.35Å; F159-F176 HydrophobicContact CE1-CG 3.35Å; F159-F176 HydrophobicContact CE1-CZ 4.26Å; F159-F176 HydrophobicContact CZ-CB 4.16Å; F159-F176 HydrophobicContact CZ-CD1 4.4Å; F159-F176 AromaticContact CZ-CD2 3.69Å; F159-F176 HydrophobicContact CZ-CD2 3.69Å; F159-F176 HydrophobicContact CZ-CE2 4.13Å; F159-F176 AromaticContact CZ-CG 3.82Å; F159-F176 HydrophobicContact CZ-CG 3.82Å; F159-M247 HydrophobicContact CE2-CE 4.46Å |
| 160 | T | 97.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | trans | -63.2 | 123.9 | 170.4 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | E156 Y162 F282 | E156-T160 VanDerWaalsContact C-OG1 3.32Å; E156-T160 VanDerWaalsContact CA-OG1 3.3Å; E156-T160 WeakPolarHBondContact CA-OG1 3.3Å; E156-T160 WeakPolarHBondContact O-CB 3.5Å; E156-T160 PolarHBondContact O-N 2.82Å; E156-T160 PolarHBondContact O-OG1 2.88Å; T160-Y162 WeakPolarHBondContact O-CD1 3.38Å; T160-F282 HydrophobicContact CG2-CD1 3.95Å; T160-F282 HydrophobicContact CG2-CE1 3.61Å | ||
| 161 | E | 97.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | trans | -83.5 | 134.7 | -179.8 | -62.5 | 162.7 | 160.8 | 0 | 0 | 109.9 | E106 N108 K112 F159 K171 S173 | E106-E161 HydrophobicContact CB-CG 4.2Å; E106-E161 HydrophobicContact CG-CG 4.25Å; N108-E161 VanDerWaalsContact CB-OE1 3.32Å; N108-E161 WeakPolarHBondContact CB-OE1 3.27Å; N108-E161 WeakPolarHBondContact CB-OE2 3.38Å; N108-E161 PolarHBondContact ND2-OE1 2.55Å; N108-E161 PolarHBondContact ND2-OE2 3.32Å; K112-E161 IonicContact NZ-OE1 2.76Å; K112-E161 PolarHBondContact NZ-OE1 2.87Å; F159-E161 PolarHBondContact O-N 3.35Å; E161-K171 HydrophobicContact CB-CB 4.01Å; E161-K171 HydrophobicContact CB-CD 4.09Å; E161-K171 WeakPolarHBondContact O-CD 3.17Å; E161-K171 WeakPolarHBondContact O-CE 3.33Å; E161-K171 PolarHBondContact O-NZ 3.41Å; E161-S173 CarbonylContact C-O 3.4Å; E161-S173 VanDerWaalsContact CA-O 3.27Å; E161-S173 WeakPolarHBondContact CA-O 3.29Å | ||
| 162 | Y | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -140.3 | 155.7 | -179.8 | 51.3 | -109.3 | 0 | 0 | 0 | 110.6 | T160 R164 D172 S173 S174 A175 L275 F282 | T160-Y162 WeakPolarHBondContact O-CD1 3.38Å; Y162-R164 HydrophobicContact CD2-CB 4.41Å; Y162-R164 HydrophobicContact CE2-CB 4.23Å; Y162-R164 PolarHBondContact O-N 3.05Å; Y162-R164 PolarHBondContact OH-NH2 3.12Å; Y162-D172 PolarHBondContact O-N 2.86Å; Y162-S173 WeakPolarHBondContact CE2-OG 3.16Å; Y162-S173 PolarHBondContact N-O 3Å; Y162-S173 PolarHBondContact O-N 3.1Å; Y162-S173 PolarHBondContact OH-OG 3.2Å; Y162-S174 WeakPolarHBondContact OH-CA 3.43Å; Y162-S174 PolarHBondContact OH-O 2.98Å; Y162-S174 VanDerWaalsContact OH-O 3.12Å; Y162-A175 PolarHBondContact OH-N 3.38Å; Y162-L275 HydrophobicContact CD2-CD2 3.34Å; Y162-L275 HydrophobicContact CE2-CD2 3.65Å; Y162-L275 HydrophobicContact CG-CD2 3.94Å; Y162-F282 HydrophobicContact CD1-CB 3.58Å; Y162-F282 AromaticContact CD1-CD1 3.84Å; Y162-F282 HydrophobicContact CD1-CD1 3.84Å; Y162-F282 HydrophobicContact CD1-CD2 4.34Å; Y162-F282 AromaticContact CD1-CG 3.65Å; Y162-F282 HydrophobicContact CD1-CG 3.65Å; Y162-F282 HydrophobicContact CE1-CB 3.88Å; Y162-F282 HydrophobicContact CE1-CG 4.44Å; Y162-F282 HydrophobicContact CG-CB 4.34Å; Y162-F282 HydrophobicContact CG-CD2 4.42Å; Y162-F282 HydrophobicContact CG-CG 4.17Å |
| 163 | P | 97.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.104 | 23% | 0.227 | C | C | . | . | trans | -73.7 | 117 | 171.2 | 27.8 | -34.1 | 0 | 0 | 0 | 111.7 | D166 V170 I277 | P163-D166 VanDerWaalsContact CB-O 3.26Å; P163-D166 WeakPolarHBondContact CB-O 3.44Å; P163-V170 WeakPolarHBondContact CA-O 3.27Å; P163-V170 WeakPolarHBondContact CB-O 3.22Å; P163-I277 HydrophobicContact CG-CD1 3.81Å; P163-I277 HydrophobicContact CG-CG2 4.47Å | ||
| 164 | R | 97.2 | Very high | 97 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 18% | 0.177 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -100.9 | -40.7 | 176.5 | 179.4 | 175.4 | -70.6 | -79.7 | 1.5 | 112.7 | L102 Y162 D172 S173 E183 S284 | L102-R164 HydrophobicContact CD1-CB 4.42Å; L102-R164 HydrophobicContact CD1-CG 3.92Å; L102-R164 HydrophobicContact CD2-CB 4.29Å; Y162-R164 HydrophobicContact CD2-CB 4.41Å; Y162-R164 HydrophobicContact CE2-CB 4.23Å; Y162-R164 PolarHBondContact O-N 3.05Å; Y162-R164 PolarHBondContact OH-NH2 3.12Å; R164-D172 WeakPolarHBondContact CB-OD1 3.35Å; R164-D172 PolarHBondContact N-OD1 2.94Å; R164-S173 PolarHBondContact NE-OG 2.81Å; R164-E183 WeakPolarHBondContact CD-OE2 3.37Å; R164-E183 IonicContact NE-OE2 2.55Å; R164-E183 PolarHBondContact NE-OE2 3.22Å; R164-S284 PolarHBondContact NH1-OG 3.44Å; R164-S284 PolarHBondContact NH2-O 3.37Å; R164-S284 PolarHBondContact NH2-OG 2.79Å |
| 165 | K | 96.9 | Very high | 97.1 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -67.3 | -48.3 | -178.1 | -174.1 | 167.2 | -169.6 | 163.8 | 0 | 112.6 | L102 D172 L185 D186 | L102-K165 HydrophobicContact CB-CB 4.1Å; L102-K165 HydrophobicContact CB-CD 4.37Å; L102-K165 WeakPolarHBondContact O-CD 3.31Å; L102-K165 PolarHBondContact O-NZ 3.07Å; K165-D172 WeakPolarHBondContact CB-OD2 3.42Å; K165-D172 PolarHBondContact N-OD2 3.43Å; K165-D172 VanDerWaalsContact N-OD2 3.16Å; K165-L185 HydrophobicContact CD-CD1 4.37Å; K165-L185 HydrophobicContact CG-CD1 3.97Å; K165-D186 IonicContact NZ-OD1 2.87Å; K165-D186 PolarHBondContact NZ-OD1 3.38Å; K165-D186 VanDerWaalsContact NZ-OD1 3.16Å |
| 166 | D | 95.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | trans | -136.5 | 118.5 | 178.9 | 176.6 | -4.8 | 0 | 0 | 0 | 107.7 | P163 N168 G169 | P163-D166 VanDerWaalsContact CB-O 3.26Å; P163-D166 WeakPolarHBondContact CB-O 3.44Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact OD1-N 3.04Å; D166-G169 WeakPolarHBondContact O-CA 3.07Å; D166-G169 PolarHBondContact O-N 3.44Å | ||
| 167 | P | 94.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 53% | 0.532 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.4 | 178.8 | -26.4 | 34.9 | 0 | 0 | 0 | 115.4 | ||
| 168 | N | 95.3 | Very high | 97.4 | Very high | 152 Ų | 152 | 37 Ų | 37 | 81% | 0.813 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 3.8 | 175 | -56.2 | -60.6 | 0 | 0 | 0 | 113.4 | D166 | D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact OD1-N 3.04Å |
| 169 | G | 96.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 37 Ų | 37 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -90.5 | -162.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D166 | D166-G169 WeakPolarHBondContact O-CA 3.07Å; D166-G169 PolarHBondContact O-N 3.44Å |
| 170 | V | 97.3 | Very high | 97.5 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 33% | 0.333 | 20% | 0.198 | S | C | . | . | trans | -73.7 | 154.2 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | G103 E105 P163 D172 | G103-V170 WeakPolarHBondContact O-CG2 3.47Å; E105-V170 HydrophobicContact CB-CB 3.81Å; E105-V170 HydrophobicContact CB-CG1 4.1Å; E105-V170 HydrophobicContact CB-CG2 3.99Å; E105-V170 HydrophobicContact CG-CB 4.02Å; E105-V170 HydrophobicContact CG-CG1 4.38Å; P163-V170 WeakPolarHBondContact CA-O 3.27Å; P163-V170 WeakPolarHBondContact CB-O 3.22Å; V170-D172 HydrophobicContact CG2-CB 4.4Å; V170-D172 PolarHBondContact O-N 2.92Å | ||
| 171 | K | 97.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 34.3 Ų | 34.3 | 47% | 0.47 | 19% | 0.186 | S | C | . | . | trans | -70.7 | 114.2 | 170.2 | -67.3 | 177.7 | 172.2 | -162.8 | 0 | 108.5 | E105 E106 E161 | E105-K171 WeakPolarHBondContact CA-O 3.28Å; E106-K171 WeakPolarHBondContact CB-O 3.38Å; E106-K171 PolarHBondContact N-O 3.32Å; E161-K171 HydrophobicContact CB-CB 4.01Å; E161-K171 HydrophobicContact CB-CD 4.09Å; E161-K171 WeakPolarHBondContact O-CD 3.17Å; E161-K171 WeakPolarHBondContact O-CE 3.33Å; E161-K171 PolarHBondContact O-NZ 3.41Å | ||
| 172 | D | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | trans | -132.3 | 12.1 | -168.8 | 64.7 | -10.4 | 0 | 0 | 0 | 112.4 | L102 G103 H104 Y162 R164 K165 V170 | L102-D172 HydrophobicContact CD2-CB 4.45Å; L102-D172 WeakPolarHBondContact CD2-O 3.33Å; G103-D172 PolarHBondContact N-OD2 3.2Å; H104-D172 WeakPolarHBondContact O-CA 3.44Å; H104-D172 WeakPolarHBondContact O-CB 3.34Å; Y162-D172 PolarHBondContact O-N 2.86Å; R164-D172 WeakPolarHBondContact CB-OD1 3.35Å; R164-D172 PolarHBondContact N-OD1 2.94Å; K165-D172 WeakPolarHBondContact CB-OD2 3.42Å; K165-D172 PolarHBondContact N-OD2 3.43Å; K165-D172 VanDerWaalsContact N-OD2 3.16Å; V170-D172 HydrophobicContact CG2-CB 4.4Å; V170-D172 PolarHBondContact O-N 2.92Å | ||
| 173 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -160.5 | 159.2 | -174.9 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | E161 Y162 R164 E183 | E161-S173 CarbonylContact C-O 3.4Å; E161-S173 VanDerWaalsContact CA-O 3.27Å; E161-S173 WeakPolarHBondContact CA-O 3.29Å; Y162-S173 WeakPolarHBondContact CE2-OG 3.16Å; Y162-S173 PolarHBondContact N-O 3Å; Y162-S173 PolarHBondContact O-N 3.1Å; Y162-S173 PolarHBondContact OH-OG 3.2Å; R164-S173 PolarHBondContact NE-OG 2.81Å; S173-E183 VanDerWaalsContact CB-OE1 3.26Å; S173-E183 WeakPolarHBondContact CB-OE1 3.47Å; S173-E183 PolarHBondContact OG-OE1 3.17Å |
| 174 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -143.1 | 165.7 | 165.3 | 62 | 0 | 0 | 0 | 0 | 110.2 | Y162 F176 E177 H178 | Y162-S174 WeakPolarHBondContact OH-CA 3.43Å; Y162-S174 PolarHBondContact OH-O 2.98Å; Y162-S174 VanDerWaalsContact OH-O 3.12Å; S174-F176 PolarHBondContact O-N 3.28Å; S174-E177 PolarHBondContact O-N 3.31Å; S174-E177 VanDerWaalsContact OG-CB 3.29Å; S174-E177 WeakPolarHBondContact OG-CB 3.32Å; S174-E177 PolarHBondContact OG-N 3.39Å; S174-H178 WeakPolarHBondContact O-CB 3.28Å; S174-H178 PolarHBondContact O-N 2.93Å | ||
| 175 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W158 Y162 V179 L283 | W158-A175 HydrophobicContact CE3-CB 3.95Å; W158-A175 HydrophobicContact CZ3-CB 4.41Å; W158-A175 PolarHBondContact O-N 3.39Å; Y162-A175 PolarHBondContact OH-N 3.38Å; A175-V179 VanDerWaalsContact O-CB 3.25Å; A175-V179 WeakPolarHBondContact O-CB 3.5Å; A175-V179 VanDerWaalsContact O-CG2 3.24Å; A175-V179 WeakPolarHBondContact O-CG2 3.29Å; A175-V179 PolarHBondContact O-N 2.92Å; A175-L283 HydrophobicContact CB-CB 4.05Å; A175-L283 HydrophobicContact CB-CD2 3.92Å; A175-L283 HydrophobicContact CB-CG 3.84Å; A175-L283 VanDerWaalsContact CB-O 3.22Å; A175-L283 WeakPolarHBondContact CB-O 3.07Å |
| 176 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 176.9 | 172.4 | -97.2 | 0 | 0 | 0 | 111.2 | F91 L94 Y98 F119 W158 F159 S174 H178 V179 F180 L181 M247 | F91-F176 HydrophobicContact CD2-CE2 4.08Å; F91-F176 AromaticContact CD2-CZ 3.74Å; F91-F176 HydrophobicContact CD2-CZ 3.74Å; F91-F176 AromaticContact CE2-CE2 3.79Å; F91-F176 HydrophobicContact CE2-CE2 3.79Å; F91-F176 AromaticContact CE2-CZ 3.52Å; F91-F176 HydrophobicContact CE2-CZ 3.52Å; L94-F176 HydrophobicContact CD2-CE1 3.88Å; L94-F176 HydrophobicContact CD2-CZ 3.77Å; L94-F176 HydrophobicContact CG-CE1 4.15Å; L94-F176 HydrophobicContact CG-CZ 4.3Å; Y98-F176 HydrophobicContact CE2-CD1 4.11Å; Y98-F176 AromaticContact CE2-CE1 3.79Å; Y98-F176 HydrophobicContact CE2-CE1 3.79Å; Y98-F176 AromaticContact CZ-CD1 3.82Å; Y98-F176 AromaticContact CZ-CE1 3.99Å; F119-F176 HydrophobicContact CD1-CE2 4.19Å; F119-F176 HydrophobicContact CE1-CD2 4.18Å; F119-F176 AromaticContact CE1-CE2 3.48Å; F119-F176 HydrophobicContact CE1-CE2 3.48Å; F119-F176 VanDerWaalsContact CE1-CE2 3.48Å; F119-F176 HydrophobicContact CE1-CZ 4.16Å; F119-F176 AromaticContact CZ-CE2 4Å; F119-F176 HydrophobicContact CZ-CE2 4Å; W158-F176 HydrophobicContact CB-CB 4.38Å; W158-F176 HydrophobicContact CE3-CB 4.46Å; W158-F176 WeakPolarHBondContact O-CB 3.39Å; W158-F176 PolarHBondContact O-N 2.92Å; F159-F176 HydrophobicContact CD1-CB 3.96Å; F159-F176 HydrophobicContact CD1-CD1 4.15Å; F159-F176 HydrophobicContact CD1-CG 4.03Å; F159-F176 HydrophobicContact CE1-CB 3.72Å; F159-F176 AromaticContact CE1-CD1 3.55Å; F159-F176 HydrophobicContact CE1-CD1 3.55Å; F159-F176 AromaticContact CE1-CD2 3.68Å; F159-F176 HydrophobicContact CE1-CD2 3.68Å; F159-F176 HydrophobicContact CE1-CE1 4.01Å; F159-F176 HydrophobicContact CE1-CE2 4.14Å; F159-F176 AromaticContact CE1-CG 3.35Å; F159-F176 HydrophobicContact CE1-CG 3.35Å; F159-F176 HydrophobicContact CE1-CZ 4.26Å; F159-F176 HydrophobicContact CZ-CB 4.16Å; F159-F176 HydrophobicContact CZ-CD1 4.4Å; F159-F176 AromaticContact CZ-CD2 3.69Å; F159-F176 HydrophobicContact CZ-CD2 3.69Å; F159-F176 HydrophobicContact CZ-CE2 4.13Å; F159-F176 AromaticContact CZ-CG 3.82Å; F159-F176 HydrophobicContact CZ-CG 3.82Å; S174-F176 PolarHBondContact O-N 3.28Å; F176-H178 PolarHBondContact O-N 3.01Å; F176-V179 PolarHBondContact O-N 3.49Å; F176-F180 HydrophobicContact CD2-CB 4.43Å; F176-F180 AromaticContact CD2-CD2 3.75Å; F176-F180 HydrophobicContact CD2-CD2 3.75Å; F176-F180 HydrophobicContact CD2-CE2 4.31Å; F176-F180 HydrophobicContact CD2-CG 4.19Å; F176-F180 HydrophobicContact CE2-CB 4.28Å; F176-F180 HydrophobicContact CE2-CD2 4.18Å; F176-F180 HydrophobicContact CE2-CG 4.17Å; F176-F180 HydrophobicContact CG-CD2 4.44Å; F176-F180 WeakPolarHBondContact O-CB 3.37Å; F176-F180 WeakPolarHBondContact O-CD2 3.3Å; F176-F180 PolarHBondContact O-N 3.41Å; F176-L181 HydrophobicContact CD1-CD1 4.5Å; F176-L181 HydrophobicContact CE1-CD1 4.01Å; F176-L181 HydrophobicContact CE1-CD2 4.45Å; F176-L181 HydrophobicContact CE1-CG 4.21Å; F176-M247 HydrophobicContact CD2-SD 4.33Å |
| 177 | E | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -58.5 | -51.8 | -179.9 | 177.4 | 168.6 | -158.2 | 0 | 0 | 111.5 | Y98 S174 L181 G182 E183 | Y98-E177 HydrophobicContact CD1-CB 3.94Å; Y98-E177 VanDerWaalsContact CD1-CD 3.43Å; Y98-E177 HydrophobicContact CD1-CG 3.89Å; Y98-E177 WeakPolarHBondContact CD1-OE2 3.44Å; Y98-E177 HydrophobicContact CE1-CB 3.96Å; Y98-E177 HydrophobicContact CE1-CG 4.42Å; S174-E177 PolarHBondContact O-N 3.31Å; S174-E177 VanDerWaalsContact OG-CB 3.29Å; S174-E177 WeakPolarHBondContact OG-CB 3.32Å; S174-E177 PolarHBondContact OG-N 3.39Å; E177-L181 CarbonylContact O-C 3.52Å; E177-L181 WeakPolarHBondContact O-CA 3.39Å; E177-L181 VanDerWaalsContact O-CB 3.31Å; E177-L181 WeakPolarHBondContact O-CB 3.17Å; E177-L181 PolarHBondContact O-N 3.36Å; E177-G182 PolarHBondContact O-N 3.21Å; E177-E183 HydrophobicContact CG-CG 3.96Å |
| 178 | H | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -55.8 | -59.2 | 176.4 | -177.2 | 87.2 | 0 | 0 | 0 | 111.2 | S174 F176 F180 G182 E183 G191 M192 S284 T285 | S174-H178 WeakPolarHBondContact O-CB 3.28Å; S174-H178 PolarHBondContact O-N 2.93Å; F176-H178 PolarHBondContact O-N 3.01Å; H178-F180 PolarHBondContact O-N 2.89Å; H178-G182 PolarHBondContact O-N 3.45Å; H178-E183 IonicContact CE1-OE2 3.47Å; H178-E183 IonicContact CG-OE2 2.86Å; H178-E183 PolarHBondContact N-OE1 2.94Å; H178-E183 IonicContact ND1-OE2 2.65Å; H178-E183 PolarHBondContact ND1-OE2 2.97Å; H178-G191 CarbonylContact O-C 3.57Å; H178-G191 WeakPolarHBondContact O-CA 3.35Å; H178-M192 PolarHBondContact O-N 2.99Å; H178-S284 PolarHBondContact CD2-O 3.46Å; H178-T285 WeakPolarHBondContact CD2-CB 3.37Å; H178-T285 PolarHBondContact CD2-OG1 3.26Å; H178-T285 WeakPolarHBondContact NE2-CB 3.19Å; H178-T285 PolarHBondContact NE2-OG1 3.23Å |
| 179 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -66.8 | -42.3 | -171.5 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | W158 A175 F176 H193 L250 V286 | W158-V179 HydrophobicContact CZ3-CB 4.14Å; W158-V179 HydrophobicContact CZ3-CG1 4.33Å; W158-V179 HydrophobicContact CZ3-CG2 4.14Å; A175-V179 VanDerWaalsContact O-CB 3.25Å; A175-V179 WeakPolarHBondContact O-CB 3.5Å; A175-V179 VanDerWaalsContact O-CG2 3.24Å; A175-V179 WeakPolarHBondContact O-CG2 3.29Å; A175-V179 PolarHBondContact O-N 2.92Å; F176-V179 PolarHBondContact O-N 3.49Å; V179-H193 HydrophobicContact CG1-CB 4.42Å; V179-H193 WeakPolarHBondContact O-CA 3.29Å; V179-H193 WeakPolarHBondContact O-CB 3.46Å; V179-H193 PolarHBondContact O-N 3.44Å; V179-L250 HydrophobicContact CG1-CD1 3.84Å; V179-V286 WeakPolarHBondContact CG1-O 3.33Å; V179-V286 HydrophobicContact CG2-CG1 4.49Å |
| 180 | F | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -98.2 | -37.7 | -170.3 | -70.2 | -93.6 | 0 | 0 | 0 | 113.8 | F91 W158 F176 H178 N194 R197 D246 M247 L250 | F91-F180 HydrophobicContact CE2-CB 4.05Å; F91-F180 HydrophobicContact CE2-CD1 4.3Å; F91-F180 HydrophobicContact CE2-CG 4.43Å; F91-F180 HydrophobicContact CZ-CB 4.02Å; F91-F180 HydrophobicContact CZ-CD1 4.06Å; F91-F180 HydrophobicContact CZ-CG 4.45Å; W158-F180 HydrophobicContact CE3-CE2 4.17Å; W158-F180 HydrophobicContact CH2-CE2 4.02Å; W158-F180 HydrophobicContact CZ3-CD2 4.38Å; W158-F180 AromaticContact CZ3-CE2 3.68Å; W158-F180 HydrophobicContact CZ3-CE2 3.68Å; F176-F180 HydrophobicContact CD2-CB 4.43Å; F176-F180 AromaticContact CD2-CD2 3.75Å; F176-F180 HydrophobicContact CD2-CD2 3.75Å; F176-F180 HydrophobicContact CD2-CE2 4.31Å; F176-F180 HydrophobicContact CD2-CG 4.19Å; F176-F180 HydrophobicContact CE2-CB 4.28Å; F176-F180 HydrophobicContact CE2-CD2 4.18Å; F176-F180 HydrophobicContact CE2-CG 4.17Å; F176-F180 HydrophobicContact CG-CD2 4.44Å; F176-F180 WeakPolarHBondContact O-CB 3.37Å; F176-F180 WeakPolarHBondContact O-CD2 3.3Å; F176-F180 PolarHBondContact O-N 3.41Å; H178-F180 PolarHBondContact O-N 2.89Å; F180-N194 HydrophobicContact CB-CB 4.4Å; F180-N194 HydrophobicContact CD1-CB 3.92Å; F180-R197 WeakPolarHBondContact O-CB 3.32Å; F180-D246 HydrophobicContact CE1-CB 3.66Å; F180-D246 HydrophobicContact CZ-CB 4.05Å; F180-M247 HydrophobicContact CD2-SD 4.25Å; F180-M247 HydrophobicContact CE1-CG 4.37Å; F180-M247 HydrophobicContact CE1-SD 4.22Å; F180-M247 HydrophobicContact CE2-CG 4.42Å; F180-M247 HydrophobicContact CE2-SD 3.31Å; F180-M247 WeakPolarHBondContact CE2-SD 3.21Å; F180-M247 HydrophobicContact CZ-CG 3.81Å; F180-M247 HydrophobicContact CZ-SD 3.29Å; F180-M247 WeakPolarHBondContact CZ-SD 3.37Å; F180-L250 HydrophobicContact CE2-CD1 4.41Å; F180-L250 HydrophobicContact CZ-CD1 3.99Å |
| 181 | L | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -99 | -36.5 | -170.2 | -51.6 | -172.5 | 0 | 0 | 0 | 112.3 | F91 M95 Y98 F176 E177 M192 R197 | F91-L181 HydrophobicContact CE2-CD2 4.14Å; F91-L181 HydrophobicContact CZ-CD2 4.33Å; M95-L181 HydrophobicContact CB-CD2 4.33Å; M95-L181 HydrophobicContact CG-CD2 3.69Å; M95-L181 HydrophobicContact SD-CD2 4.46Å; Y98-L181 HydrophobicContact CD1-CD1 4.24Å; Y98-L181 HydrophobicContact CD2-CD1 3.34Å; Y98-L181 HydrophobicContact CE2-CD1 3.96Å; Y98-L181 HydrophobicContact CG-CD1 3.49Å; Y98-L181 VanDerWaalsContact CG-CD1 3.49Å; F176-L181 HydrophobicContact CD1-CD1 4.5Å; F176-L181 HydrophobicContact CE1-CD1 4.01Å; F176-L181 HydrophobicContact CE1-CD2 4.45Å; F176-L181 HydrophobicContact CE1-CG 4.21Å; E177-L181 CarbonylContact O-C 3.52Å; E177-L181 WeakPolarHBondContact O-CA 3.39Å; E177-L181 VanDerWaalsContact O-CB 3.31Å; E177-L181 WeakPolarHBondContact O-CB 3.17Å; E177-L181 PolarHBondContact O-N 3.36Å; L181-M192 WeakPolarHBondContact O-CE 3.38Å; L181-R197 PolarHBondContact O-NE 3.36Å |
| 182 | G | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | 83.1 | 156.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | E177 H178 L190 W227 | E177-G182 PolarHBondContact O-N 3.21Å; H178-G182 PolarHBondContact O-N 3.45Å; G182-L190 WeakPolarHBondContact CA-O 3.44Å; G182-W227 WeakPolarHBondContact O-CH2 3.3Å | ||
| 183 | E | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.1 | -172.5 | -59 | 160 | 154.3 | 0 | 0 | 109.7 | P100 L102 R164 S173 E177 H178 V189 L190 | P100-E183 CarbonylContact O-C 3.57Å; P100-E183 VanDerWaalsContact O-CA 3.23Å; P100-E183 WeakPolarHBondContact O-CA 3.43Å; L102-E183 HydrophobicContact CD1-CB 4.39Å; L102-E183 HydrophobicContact CD2-CB 4.01Å; L102-E183 HydrophobicContact CD2-CG 4.13Å; L102-E183 HydrophobicContact CG-CB 4Å; R164-E183 WeakPolarHBondContact CD-OE2 3.37Å; R164-E183 IonicContact NE-OE2 2.55Å; R164-E183 PolarHBondContact NE-OE2 3.22Å; S173-E183 VanDerWaalsContact CB-OE1 3.26Å; S173-E183 WeakPolarHBondContact CB-OE1 3.47Å; S173-E183 PolarHBondContact OG-OE1 3.17Å; E177-E183 HydrophobicContact CG-CG 3.96Å; H178-E183 IonicContact CE1-OE2 3.47Å; H178-E183 IonicContact CG-OE2 2.86Å; H178-E183 PolarHBondContact N-OE1 2.94Å; H178-E183 IonicContact ND1-OE2 2.65Å; H178-E183 PolarHBondContact ND1-OE2 2.97Å; E183-V189 CarbonylContact O-C 3.6Å; E183-V189 WeakPolarHBondContact O-CA 3.33Å; E183-L190 HydrophobicContact CB-CB 4.49Å; E183-L190 PolarHBondContact N-O 3.24Å; E183-L190 PolarHBondContact O-N 3.29Å |
| 184 | F | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 9% | 0.088 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.6 | 172 | -63.3 | -68.9 | 0 | 0 | 0 | 109.8 | P100 V101 L102 K188 V189 W227 N228 V230 | P100-F184 HydrophobicContact CB-CD2 3.81Å; P100-F184 HydrophobicContact CB-CE2 3.95Å; P100-F184 HydrophobicContact CG-CD2 3.84Å; P100-F184 HydrophobicContact CG-CE2 3.72Å; P100-F184 PolarHBondContact O-N 3.27Å; V101-F184 HydrophobicContact CG2-CD2 4.18Å; L102-F184 VanDerWaalsContact CB-O 3.3Å; L102-F184 WeakPolarHBondContact CB-O 3.36Å; L102-F184 WeakPolarHBondContact CG-O 3.31Å; L102-F184 PolarHBondContact N-O 3.45Å; F184-K188 WeakPolarHBondContact CA-O 3.42Å; F184-V189 HydrophobicContact CD1-CG2 3.98Å; F184-V189 HydrophobicContact CE1-CG2 3.76Å; F184-W227 HydrophobicContact CD1-CE3 4.42Å; F184-W227 HydrophobicContact CD2-CZ3 4.47Å; F184-W227 HydrophobicContact CE1-CB 4.46Å; F184-W227 AromaticContact CE1-CD2 3.9Å; F184-W227 HydrophobicContact CE1-CD2 3.9Å; F184-W227 AromaticContact CE1-CE3 3.67Å; F184-W227 HydrophobicContact CE1-CE3 3.67Å; F184-W227 HydrophobicContact CE1-CG 4.24Å; F184-W227 HydrophobicContact CE1-CZ3 4.26Å; F184-W227 WeakPolarHBondContact CE1-O 3.43Å; F184-W227 HydrophobicContact CE2-CD2 4.05Å; F184-W227 AromaticContact CE2-CE2 3.95Å; F184-W227 HydrophobicContact CE2-CE3 4.03Å; F184-W227 AromaticContact CE2-CH2 4Å; F184-W227 HydrophobicContact CE2-CH2 4Å; F184-W227 AromaticContact CE2-CZ2 3.93Å; F184-W227 HydrophobicContact CE2-CZ2 3.93Å; F184-W227 HydrophobicContact CE2-CZ3 4.02Å; F184-W227 HydrophobicContact CZ-CB 4.44Å; F184-W227 AromaticContact CZ-CD2 3.32Å; F184-W227 HydrophobicContact CZ-CD2 3.32Å; F184-W227 AromaticContact CZ-CE2 3.63Å; F184-W227 AromaticContact CZ-CE3 3.44Å; F184-W227 HydrophobicContact CZ-CE3 3.44Å; F184-W227 VanDerWaalsContact CZ-CE3 3.44Å; F184-W227 AromaticContact CZ-CG 3.79Å; F184-W227 HydrophobicContact CZ-CG 3.79Å; F184-W227 HydrophobicContact CZ-CH2 4.22Å; F184-W227 HydrophobicContact CZ-CZ2 4.07Å; F184-W227 AromaticContact CZ-CZ3 3.9Å; F184-W227 HydrophobicContact CZ-CZ3 3.9Å; F184-N228 HydrophobicContact CZ-CB 4.09Å; F184-V230 HydrophobicContact CD1-CB 4.12Å; F184-V230 HydrophobicContact CD1-CG1 4.33Å; F184-V230 HydrophobicContact CD1-CG2 3.97Å; F184-V230 HydrophobicContact CE1-CB 3.87Å; F184-V230 HydrophobicContact CE1-CG2 3.82Å |
| 185 | L | 96.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 94.7 | 163 | -177.1 | 57.8 | 0 | 0 | 0 | 107.6 | L102 K165 D187 K188 L190 | L102-L185 HydrophobicContact CD1-CB 4.03Å; L102-L185 HydrophobicContact CD1-CD1 4.2Å; K165-L185 HydrophobicContact CD-CD1 4.37Å; K165-L185 HydrophobicContact CG-CD1 3.97Å; L185-D187 PolarHBondContact O-N 3.49Å; L185-K188 PolarHBondContact N-O 3.41Å; L185-K188 WeakPolarHBondContact O-CB 3.4Å; L185-K188 PolarHBondContact O-N 3.08Å; L185-L190 HydrophobicContact CB-CD1 3.87Å; L185-L190 HydrophobicContact CB-CG 4.16Å; L185-L190 HydrophobicContact CD2-CD1 4.13Å |
| 186 | D | 93.8 | Very high | 97.5 | Very high | 113 Ų | 113 | 24.7 Ų | 24.7 | 60% | 0.604 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -108.2 | -175.8 | -47.3 | -46.3 | 0 | 0 | 0 | 111.2 | K165 | K165-D186 IonicContact NZ-OD1 2.87Å; K165-D186 PolarHBondContact NZ-OD1 3.38Å; K165-D186 VanDerWaalsContact NZ-OD1 3.16Å |
| 187 | D | 93.7 | Very high | 97.5 | Very high | 118 Ų | 118 | 26.1 Ų | 26.1 | 63% | 0.631 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 19.4 | -179.9 | 74.1 | -32.8 | 0 | 0 | 0 | 114.2 | L185 V230 | L185-D187 PolarHBondContact O-N 3.49Å; D187-V230 WeakPolarHBondContact O-CG1 3.47Å |
| 188 | K | 95.7 | Very high | 97.5 | Very high | 120 Ų | 120 | 26.1 Ų | 26.1 | 52% | 0.522 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.1 | -176.6 | -62.3 | 168.6 | -168.6 | 163.1 | 0 | 112 | F184 L185 | F184-K188 WeakPolarHBondContact CA-O 3.42Å; L185-K188 PolarHBondContact N-O 3.41Å; L185-K188 WeakPolarHBondContact O-CB 3.4Å; L185-K188 PolarHBondContact O-N 3.08Å |
| 189 | V | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.8 | 168.1 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | E183 F184 F225 W227 V230 K232 | E183-V189 CarbonylContact O-C 3.6Å; E183-V189 WeakPolarHBondContact O-CA 3.33Å; F184-V189 HydrophobicContact CD1-CG2 3.98Å; F184-V189 HydrophobicContact CE1-CG2 3.76Å; V189-F225 HydrophobicContact CG1-CE2 4.42Å; V189-W227 HydrophobicContact CG1-CE3 3.59Å; V189-W227 HydrophobicContact CG1-CZ3 4.03Å; V189-W227 HydrophobicContact CG2-CB 4.25Å; V189-W227 HydrophobicContact CG2-CE3 4.14Å; V189-V230 HydrophobicContact CG2-CB 3.9Å; V189-V230 HydrophobicContact CG2-CG1 3.82Å; V189-K232 HydrophobicContact CB-CB 4Å; V189-K232 HydrophobicContact CB-CD 4.05Å; V189-K232 HydrophobicContact CB-CG 4.32Å; V189-K232 HydrophobicContact CG1-CB 4.47Å; V189-K232 HydrophobicContact CG1-CD 3.8Å; V189-K232 HydrophobicContact CG2-CB 4.49Å; V189-K232 WeakPolarHBondContact O-CE 3.44Å; V189-K232 PolarHBondContact O-NZ 3.11Å |
| 190 | L | 97.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 26.6 Ų | 26.6 | 24% | 0.241 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 160.6 | 172.9 | -53 | -172.9 | 0 | 0 | 0 | 111 | L102 G182 E183 L185 K232 | L102-L190 HydrophobicContact CD1-CD1 4Å; G182-L190 WeakPolarHBondContact CA-O 3.44Å; E183-L190 HydrophobicContact CB-CB 4.49Å; E183-L190 PolarHBondContact N-O 3.24Å; E183-L190 PolarHBondContact O-N 3.29Å; L185-L190 HydrophobicContact CB-CD1 3.87Å; L185-L190 HydrophobicContact CB-CG 4.16Å; L185-L190 HydrophobicContact CD2-CD1 4.13Å; L190-K232 PolarHBondContact O-NZ 2.81Å |
| 191 | G | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | trans | 70.4 | -128.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | H178 H193 K232 | H178-G191 CarbonylContact O-C 3.57Å; H178-G191 WeakPolarHBondContact O-CA 3.35Å; G191-H193 PolarHBondContact O-CE1 3.14Å; G191-H193 PolarHBondContact O-NE2 3.17Å; G191-K232 VanDerWaalsContact N-NZ 3.15Å; G191-K232 WeakPolarHBondContact O-CE 3.33Å; G191-K232 PolarHBondContact O-NZ 3.27Å | ||
| 192 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | 49.1 | 62.2 | 174.9 | -161.6 | -176.4 | -76.4 | 0 | 0 | 115.2 | H178 L181 R197 L201 I207 F225 W227 S235 | H178-M192 PolarHBondContact O-N 2.99Å; L181-M192 WeakPolarHBondContact O-CE 3.38Å; M192-R197 HydrophobicContact CG-CG 4.37Å; M192-L201 HydrophobicContact CE-CD1 3.5Å; M192-L201 HydrophobicContact SD-CD1 4.22Å; M192-I207 HydrophobicContact CE-CD1 3.98Å; M192-I207 HydrophobicContact SD-CD1 3.51Å; M192-I207 VanDerWaalsContact SD-CD1 3.51Å; M192-F225 HydrophobicContact CB-CZ 4.48Å; M192-F225 HydrophobicContact CG-CZ 4.41Å; M192-F225 HydrophobicContact SD-CE1 4.41Å; M192-F225 HydrophobicContact SD-CE2 3.72Å; M192-F225 HydrophobicContact SD-CZ 3.43Å; M192-F225 WeakPolarHBondContact SD-CZ 3.48Å; M192-W227 HydrophobicContact CE-CD2 3.46Å; M192-W227 VanDerWaalsContact CE-CD2 3.46Å; M192-W227 HydrophobicContact CE-CE3 3.25Å; M192-W227 HydrophobicContact CE-CG 4.16Å; M192-W227 HydrophobicContact CE-CH2 3.76Å; M192-W227 HydrophobicContact CE-CZ2 4.01Å; M192-W227 HydrophobicContact CE-CZ3 3.4Å; M192-W227 VanDerWaalsContact CE-CZ3 3.4Å; M192-S235 PolarHBondContact O-OG 2.97Å | ||
| 193 | H | 97.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | trans | -100.2 | 21 | -180 | -60.6 | -59.9 | 0 | 0 | 0 | 113.3 | V179 G191 S235 A236 M237 F287 | V179-H193 HydrophobicContact CG1-CB 4.42Å; V179-H193 WeakPolarHBondContact O-CA 3.29Å; V179-H193 WeakPolarHBondContact O-CB 3.46Å; V179-H193 PolarHBondContact O-N 3.44Å; G191-H193 PolarHBondContact O-CE1 3.14Å; G191-H193 PolarHBondContact O-NE2 3.17Å; H193-S235 PolarHBondContact ND1-OG 2.88Å; H193-A236 WeakPolarHBondContact CA-O 3.28Å; H193-A236 VanDerWaalsContact CB-O 3.32Å; H193-A236 WeakPolarHBondContact CB-O 3.4Å; H193-A236 PolarHBondContact ND1-O 2.97Å; H193-M237 WeakPolarHBondContact O-CA 3.25Å; H193-M237 VanDerWaalsContact O-CB 3.32Å; H193-M237 WeakPolarHBondContact O-CB 3.45Å; H193-F287 HydrophobicContact CB-CB 4.19Å; H193-F287 AromaticContact CD2-CG 3.94Å; H193-F287 AromaticContact CE1-CD2 3.88Å; H193-F287 AromaticContact CE1-CG 3.86Å; H193-F287 AromaticContact NE2-CD1 3.84Å; H193-F287 AromaticContact NE2-CG 3.67Å | ||
| 194 | N | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 129.5 | -177.9 | -177.6 | -91.2 | 0 | 0 | 0 | 112.8 | F91 F180 I196 R197 F198 D246 | F91-N194 WeakPolarHBondContact CE1-OD1 3.3Å; F180-N194 HydrophobicContact CB-CB 4.4Å; F180-N194 HydrophobicContact CD1-CB 3.92Å; N194-I196 WeakPolarHBondContact OD1-CB 3.48Å; N194-I196 PolarHBondContact OD1-N 3.49Å; N194-R197 HydrophobicContact CB-CB 4.42Å; N194-R197 PolarHBondContact OD1-N 3.36Å; N194-F198 PolarHBondContact O-N 2.97Å; N194-D246 PolarHBondContact ND2-OD2 3.25Å |
| 195 | W | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.1 | -29.4 | -175.3 | 75.3 | -91.6 | 0 | 0 | 0 | 113.8 | I49 Y54 F75 I78 V82 F198 A199 M237 F238 L239 T241 | I49-W195 HydrophobicContact CD1-CH2 4.05Å; I49-W195 HydrophobicContact CD1-CZ2 3.52Å; Y54-W195 HydrophobicContact CD2-CE3 4.3Å; Y54-W195 AromaticContact CD2-CH2 4Å; Y54-W195 HydrophobicContact CD2-CH2 4Å; Y54-W195 AromaticContact CD2-CZ3 3.62Å; Y54-W195 HydrophobicContact CD2-CZ3 3.62Å; Y54-W195 HydrophobicContact CE2-CD2 4.43Å; Y54-W195 AromaticContact CE2-CE3 3.59Å; Y54-W195 HydrophobicContact CE2-CE3 3.59Å; Y54-W195 HydrophobicContact CE2-CH2 4.09Å; Y54-W195 AromaticContact CE2-CZ3 3.37Å; Y54-W195 HydrophobicContact CE2-CZ3 3.37Å; F75-W195 HydrophobicContact CD1-CE3 4.04Å; F75-W195 HydrophobicContact CE1-CB 3.86Å; F75-W195 HydrophobicContact CE1-CD2 4.17Å; F75-W195 AromaticContact CE1-CE3 3.46Å; F75-W195 HydrophobicContact CE1-CE3 3.46Å; F75-W195 VanDerWaalsContact CE1-CE3 3.46Å; F75-W195 HydrophobicContact CE1-CG 4.39Å; F75-W195 HydrophobicContact CE1-CZ3 4.33Å; F75-W195 HydrophobicContact CZ-CB 3.69Å; F75-W195 HydrophobicContact CZ-CE3 4.36Å; I78-W195 HydrophobicContact CD1-CZ3 3.85Å; I78-W195 HydrophobicContact CG1-CZ3 4.5Å; V82-W195 HydrophobicContact CG1-CH2 4.23Å; W195-F198 PolarHBondContact O-N 3.48Å; W195-A199 HydrophobicContact CE3-CB 4.47Å; W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.36Å; W195-A199 PolarHBondContact O-N 3.34Å; W195-M237 HydrophobicContact CB-CG 4.39Å; W195-M237 HydrophobicContact CB-SD 3.81Å; W195-F238 WeakPolarHBondContact CB-O 3.5Å; W195-L239 HydrophobicContact CB-CD2 4.21Å; W195-T241 PolarHBondContact NE1-O 2.91Å |
| 196 | I | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.2 | -46.2 | 179.1 | -59.7 | 173.7 | 0 | 0 | 0 | 108.8 | I88 F91 M95 N194 F198 A199 L200 P243 | I88-I196 HydrophobicContact CD1-CD1 3.85Å; I88-I196 HydrophobicContact CG1-CD1 3.92Å; I88-I196 HydrophobicContact CG2-CG2 4.5Å; F91-I196 HydrophobicContact CD1-CG2 4.42Å; F91-I196 HydrophobicContact CE1-CB 4.19Å; F91-I196 HydrophobicContact CE1-CG2 4.39Å; M95-I196 HydrophobicContact CE-CG2 4.42Å; N194-I196 WeakPolarHBondContact OD1-CB 3.48Å; N194-I196 PolarHBondContact OD1-N 3.49Å; I196-F198 PolarHBondContact O-N 3.46Å; I196-A199 PolarHBondContact O-N 3.26Å; I196-L200 HydrophobicContact CG2-CD1 3.91Å; I196-L200 HydrophobicContact CG2-CG 4.46Å; I196-L200 VanDerWaalsContact O-CG 3.32Å; I196-L200 WeakPolarHBondContact O-CG 3.02Å; I196-L200 PolarHBondContact O-N 3.07Å; I196-P243 HydrophobicContact CD1-CG 4.01Å |
| 197 | R | 98.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 38 Ų | 38 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -50.9 | 173 | 175.5 | 61 | 174.1 | 160.5 | -0.2 | 111.2 | M95 F180 L181 M192 N194 A199 L200 L201 | M95-R197 HydrophobicContact CE-CB 4.15Å; F180-R197 WeakPolarHBondContact O-CB 3.32Å; L181-R197 PolarHBondContact O-NE 3.36Å; M192-R197 HydrophobicContact CG-CG 4.37Å; N194-R197 HydrophobicContact CB-CB 4.42Å; N194-R197 PolarHBondContact OD1-N 3.36Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 2.87Å; R197-L200 PolarHBondContact O-N 2.89Å; R197-L201 HydrophobicContact CG-CD1 4.09Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.07Å |
| 198 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 178.4 | -171.2 | -69.8 | 0 | 0 | 0 | 111.3 | L74 F75 N194 W195 I196 L200 L201 E202 I207 Y209 V223 F225 M237 | L74-F198 HydrophobicContact CB-CE1 4.09Å; L74-F198 HydrophobicContact CD2-CE1 4.05Å; L74-F198 HydrophobicContact CD2-CZ 4.18Å; F75-F198 AromaticContact CD2-CD1 3.47Å; F75-F198 HydrophobicContact CD2-CD1 3.47Å; F75-F198 VanDerWaalsContact CD2-CD1 3.47Å; F75-F198 AromaticContact CD2-CE1 3.86Å; F75-F198 HydrophobicContact CD2-CE1 3.86Å; F75-F198 HydrophobicContact CD2-CG 4.48Å; F75-F198 HydrophobicContact CE2-CB 4.06Å; F75-F198 AromaticContact CE2-CD1 3.17Å; F75-F198 HydrophobicContact CE2-CD1 3.17Å; F75-F198 AromaticContact CE2-CE1 3.74Å; F75-F198 HydrophobicContact CE2-CE1 3.74Å; F75-F198 AromaticContact CE2-CG 3.8Å; F75-F198 HydrophobicContact CE2-CG 3.8Å; F75-F198 HydrophobicContact CZ-CD1 4.31Å; N194-F198 PolarHBondContact O-N 2.97Å; W195-F198 PolarHBondContact O-N 3.48Å; I196-F198 PolarHBondContact O-N 3.46Å; F198-L200 PolarHBondContact O-N 3.07Å; F198-L201 PolarHBondContact O-N 3.07Å; F198-E202 HydrophobicContact CD1-CB 4.4Å; F198-E202 HydrophobicContact CE1-CB 4.39Å; F198-E202 WeakPolarHBondContact O-CB 3.45Å; F198-E202 PolarHBondContact O-N 2.88Å; F198-I207 HydrophobicContact CD1-CG2 4.12Å; F198-I207 HydrophobicContact CD2-CD1 4Å; F198-I207 HydrophobicContact CD2-CG2 4.22Å; F198-I207 HydrophobicContact CE1-CG2 3.61Å; F198-I207 HydrophobicContact CE2-CD1 4.33Å; F198-I207 HydrophobicContact CE2-CG2 3.7Å; F198-I207 HydrophobicContact CG-CD1 4.31Å; F198-I207 HydrophobicContact CG-CG2 4.43Å; F198-I207 HydrophobicContact CZ-CG2 3.38Å; F198-Y209 HydrophobicContact CZ-CD2 4.39Å; F198-V223 HydrophobicContact CE2-CG2 4.03Å; F198-F225 HydrophobicContact CD2-CD1 4.24Å; F198-F225 HydrophobicContact CD2-CE1 4.19Å; F198-F225 HydrophobicContact CE2-CB 3.94Å; F198-F225 AromaticContact CE2-CD1 3.51Å; F198-F225 HydrophobicContact CE2-CD1 3.51Å; F198-F225 HydrophobicContact CE2-CD2 4.37Å; F198-F225 AromaticContact CE2-CE1 3.91Å; F198-F225 HydrophobicContact CE2-CE1 3.91Å; F198-F225 AromaticContact CE2-CG 3.71Å; F198-F225 HydrophobicContact CE2-CG 3.71Å; F198-F225 HydrophobicContact CZ-CB 4.18Å; F198-F225 HydrophobicContact CZ-CD1 4.48Å; F198-F225 HydrophobicContact CZ-CG 4.43Å; F198-M237 HydrophobicContact CB-CE 4.17Å; F198-M237 HydrophobicContact CB-SD 4.38Å; F198-M237 HydrophobicContact CD2-CE 3.68Å; F198-M237 HydrophobicContact CE2-CE 4.39Å; F198-M237 HydrophobicContact CG-CE 4.17Å |
| 199 | A | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F75 I78 W195 I196 R197 E202 Q203 | F75-A199 HydrophobicContact CB-CB 3.92Å; F75-A199 HydrophobicContact CD1-CB 3.76Å; F75-A199 HydrophobicContact CD2-CB 3.95Å; F75-A199 HydrophobicContact CE1-CB 4.19Å; F75-A199 HydrophobicContact CE2-CB 4.43Å; F75-A199 HydrophobicContact CG-CB 3.61Å; I78-A199 HydrophobicContact CD1-CB 3.39Å; W195-A199 HydrophobicContact CE3-CB 4.47Å; W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.36Å; W195-A199 PolarHBondContact O-N 3.34Å; I196-A199 PolarHBondContact O-N 3.26Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 2.87Å; A199-E202 PolarHBondContact O-N 3.34Å; A199-Q203 WeakPolarHBondContact O-CB 3.24Å; A199-Q203 VanDerWaalsContact O-CG 3.3Å; A199-Q203 WeakPolarHBondContact O-CG 3.35Å; A199-Q203 PolarHBondContact O-N 3.47Å |
| 200 | L | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 13% | 0.131 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 175.9 | -71 | 167.7 | 0 | 0 | 0 | 111.7 | F83 I92 M95 I196 R197 F198 Q203 K204 | F83-L200 HydrophobicContact CE1-CD2 3.88Å; F83-L200 HydrophobicContact CE1-CG 4.4Å; F83-L200 HydrophobicContact CZ-CD2 4.25Å; I92-L200 HydrophobicContact CD1-CD1 3.81Å; I92-L200 HydrophobicContact CD1-CD2 4.46Å; I92-L200 HydrophobicContact CG1-CD1 3.66Å; M95-L200 HydrophobicContact CE-CD1 4.12Å; M95-L200 HydrophobicContact SD-CD1 3.95Å; I196-L200 HydrophobicContact CG2-CD1 3.91Å; I196-L200 HydrophobicContact CG2-CG 4.46Å; I196-L200 VanDerWaalsContact O-CG 3.32Å; I196-L200 WeakPolarHBondContact O-CG 3.02Å; I196-L200 PolarHBondContact O-N 3.07Å; R197-L200 PolarHBondContact O-N 2.89Å; F198-L200 PolarHBondContact O-N 3.07Å; L200-Q203 PolarHBondContact O-N 2.91Å; L200-K204 WeakPolarHBondContact O-CG 2.97Å; L200-K204 PolarHBondContact O-N 3.5Å; L200-K204 VanDerWaalsContact O-N 3.14Å |
| 201 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 174 | -71 | 173.3 | 0 | 0 | 0 | 111.7 | M192 R197 F198 Q203 K204 N205 E206 I207 W227 | M192-L201 HydrophobicContact CE-CD1 3.5Å; M192-L201 HydrophobicContact SD-CD1 4.22Å; R197-L201 HydrophobicContact CG-CD1 4.09Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.07Å; F198-L201 PolarHBondContact O-N 3.07Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-Q203 PolarHBondContact O-N 2.93Å; L201-K204 CarbonylContact O-C 3.57Å; L201-K204 PolarHBondContact O-N 2.84Å; L201-N205 PolarHBondContact O-N 3.46Å; L201-N205 VanDerWaalsContact O-N 3.07Å; L201-E206 HydrophobicContact CB-CB 4.34Å; L201-E206 HydrophobicContact CD2-CB 3.93Å; L201-E206 WeakPolarHBondContact CD2-OE2 3.46Å; L201-E206 PolarHBondContact O-N 2.94Å; L201-I207 HydrophobicContact CB-CB 3.98Å; L201-I207 HydrophobicContact CB-CD1 3.72Å; L201-I207 HydrophobicContact CB-CG1 3.76Å; L201-I207 HydrophobicContact CD1-CD1 3.37Å; L201-I207 HydrophobicContact CD1-CG1 3.96Å; L201-I207 HydrophobicContact CG-CD1 4.2Å; L201-I207 HydrophobicContact CG-CG1 4.48Å; L201-W227 HydrophobicContact CD1-CD2 4.42Å; L201-W227 HydrophobicContact CD1-CZ2 4.34Å |
| 202 | E | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.2 | -34 | 175.5 | -174.6 | 173.8 | -109.3 | 0 | 0 | 112.4 | K73 L74 F75 F198 A199 K204 N205 | K73-E202 VanDerWaalsContact CA-OE1 3.24Å; K73-E202 WeakPolarHBondContact CA-OE1 3.36Å; K73-E202 HydrophobicContact CB-CG 4.12Å; K73-E202 HydrophobicContact CD-CG 4.08Å; K73-E202 HydrophobicContact CG-CG 3.79Å; K73-E202 PolarHBondContact NZ-O 2.81Å; L74-E202 VanDerWaalsContact N-CD 3.32Å; L74-E202 PolarHBondContact N-OE1 3.21Å; L74-E202 PolarHBondContact N-OE2 3.44Å; F75-E202 WeakPolarHBondContact CA-OE2 3.4Å; F75-E202 VanDerWaalsContact CB-OE2 3.32Å; F75-E202 WeakPolarHBondContact CB-OE2 3.25Å; F75-E202 PolarHBondContact N-OE2 3.49Å; F198-E202 HydrophobicContact CD1-CB 4.4Å; F198-E202 HydrophobicContact CE1-CB 4.39Å; F198-E202 WeakPolarHBondContact O-CB 3.45Å; F198-E202 PolarHBondContact O-N 2.88Å; A199-E202 PolarHBondContact O-N 3.34Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 2.89Å; E202-N205 PolarHBondContact O-N 2.85Å |
| 203 | Q | 96.1 | Very high | 97.1 | Very high | 92 Ų | 92 | 35.2 Ų | 35.2 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.5 | -34.9 | 171.8 | -77.5 | 176.9 | -14.1 | 0 | 0 | 112.4 | A199 L200 L201 N205 | A199-Q203 WeakPolarHBondContact O-CB 3.24Å; A199-Q203 VanDerWaalsContact O-CG 3.3Å; A199-Q203 WeakPolarHBondContact O-CG 3.35Å; A199-Q203 PolarHBondContact O-N 3.47Å; L200-Q203 PolarHBondContact O-N 2.91Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-Q203 PolarHBondContact O-N 2.93Å; Q203-N205 VanDerWaalsContact C-N 3.29Å |
| 204 | K | 96.9 | Very high | 97 | Very high | 134 Ų | 134 | 35.6 Ų | 35.6 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.5 | 175.3 | -64.7 | 178.3 | -176.6 | -174.6 | 0 | 113.9 | L200 L201 E202 E206 | L200-K204 WeakPolarHBondContact O-CG 2.97Å; L200-K204 PolarHBondContact O-N 3.5Å; L200-K204 VanDerWaalsContact O-N 3.14Å; L201-K204 CarbonylContact O-C 3.57Å; L201-K204 PolarHBondContact O-N 2.84Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 2.89Å; K204-E206 HydrophobicContact CB-CG 4.02Å; K204-E206 VanDerWaalsContact CD-OE1 3.28Å; K204-E206 WeakPolarHBondContact CD-OE1 3.19Å; K204-E206 PolarHBondContact O-N 2.73Å |
| 205 | N | 97.1 | Very high | 96.7 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 66% | 0.663 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 26.8 | -173.2 | -46.7 | -59.1 | 0 | 0 | 0 | 113.8 | L201 E202 Q203 | L201-N205 PolarHBondContact O-N 3.46Å; L201-N205 VanDerWaalsContact O-N 3.07Å; E202-N205 PolarHBondContact O-N 2.85Å; Q203-N205 VanDerWaalsContact C-N 3.29Å |
| 206 | E | 97.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | trans | -87.4 | -18.7 | 174.5 | -68.7 | 175.5 | -143.6 | 0 | 0 | 111.9 | L201 K204 W227 N228 | L201-E206 HydrophobicContact CB-CB 4.34Å; L201-E206 HydrophobicContact CD2-CB 3.93Å; L201-E206 WeakPolarHBondContact CD2-OE2 3.46Å; L201-E206 PolarHBondContact O-N 2.94Å; K204-E206 HydrophobicContact CB-CG 4.02Å; K204-E206 VanDerWaalsContact CD-OE1 3.28Å; K204-E206 WeakPolarHBondContact CD-OE1 3.19Å; K204-E206 PolarHBondContact O-N 2.73Å; E206-W227 WeakPolarHBondContact O-CA 3.43Å; E206-N228 PolarHBondContact O-N 3.04Å; E206-N228 PolarHBondContact O-OD1 3.34Å | ||
| 207 | I | 98.2 | Very high | 96 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.1 | 174.8 | -84.7 | -175.9 | 0 | 0 | 0 | 111.5 | M192 F198 L201 F225 K226 W227 | M192-I207 HydrophobicContact CE-CD1 3.98Å; M192-I207 HydrophobicContact SD-CD1 3.51Å; M192-I207 VanDerWaalsContact SD-CD1 3.51Å; F198-I207 HydrophobicContact CD1-CG2 4.12Å; F198-I207 HydrophobicContact CD2-CD1 4Å; F198-I207 HydrophobicContact CD2-CG2 4.22Å; F198-I207 HydrophobicContact CE1-CG2 3.61Å; F198-I207 HydrophobicContact CE2-CD1 4.33Å; F198-I207 HydrophobicContact CE2-CG2 3.7Å; F198-I207 HydrophobicContact CG-CD1 4.31Å; F198-I207 HydrophobicContact CG-CG2 4.43Å; F198-I207 HydrophobicContact CZ-CG2 3.38Å; L201-I207 HydrophobicContact CB-CB 3.98Å; L201-I207 HydrophobicContact CB-CD1 3.72Å; L201-I207 HydrophobicContact CB-CG1 3.76Å; L201-I207 HydrophobicContact CD1-CD1 3.37Å; L201-I207 HydrophobicContact CD1-CG1 3.96Å; L201-I207 HydrophobicContact CG-CD1 4.2Å; L201-I207 HydrophobicContact CG-CG1 4.48Å; I207-F225 HydrophobicContact CD1-CD2 4.03Å; I207-F225 HydrophobicContact CD1-CE2 3.93Å; I207-F225 HydrophobicContact CG1-CD2 4.2Å; I207-F225 HydrophobicContact CG1-CE2 4.45Å; I207-F225 HydrophobicContact CG2-CB 4.23Å; I207-F225 HydrophobicContact CG2-CD2 4.36Å; I207-F225 HydrophobicContact CG2-CG 4.49Å; I207-K226 CarbonylContact C-O 3.56Å; I207-K226 VanDerWaalsContact CA-O 3.31Å; I207-K226 WeakPolarHBondContact CA-O 3.17Å; I207-W227 HydrophobicContact CD1-CB 4.23Å; I207-W227 HydrophobicContact CD1-CG 4.28Å; I207-W227 HydrophobicContact CG1-CB 3.75Å; I207-W227 HydrophobicContact CG1-CG 3.9Å |
| 208 | E | 97 | Very high | 95.5 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.6 | 174.6 | -56.6 | 178 | 128.1 | 0 | 0 | 110 | P70 F225 K226 | P70-E208 HydrophobicContact CB-CB 4.23Å; P70-E208 HydrophobicContact CG-CB 3.99Å; P70-E208 HydrophobicContact CG-CG 4.16Å; E208-F225 CarbonylContact O-C 3.54Å; E208-F225 WeakPolarHBondContact O-CA 3.41Å; E208-F225 VanDerWaalsContact O-CB 3.22Å; E208-F225 WeakPolarHBondContact O-CB 3.37Å; E208-K226 HydrophobicContact CB-CB 4.29Å; E208-K226 PolarHBondContact N-O 2.69Å; E208-K226 PolarHBondContact O-N 2.87Å; E208-K226 WeakPolarHBondContact OE2-CD 3.45Å |
| 209 | Y | 97.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.9 | 176.4 | 171.7 | -117.7 | 0 | 0 | 0 | 112.1 | H59 L71 L74 F198 G211 Y212 V223 | H59-Y209 HydrophobicContact CB-CE1 4.14Å; H59-Y209 AromaticContact ND1-CD1 3.77Å; H59-Y209 AromaticContact ND1-CE1 3.54Å; L71-Y209 HydrophobicContact CB-CD1 4.45Å; L71-Y209 PolarHBondContact N-O 3.33Å; L74-Y209 HydrophobicContact CB-CD1 3.95Å; L74-Y209 HydrophobicContact CB-CD2 4.1Å; L74-Y209 HydrophobicContact CB-CE1 4.33Å; L74-Y209 HydrophobicContact CB-CE2 4.47Å; L74-Y209 HydrophobicContact CB-CG 3.81Å; L74-Y209 HydrophobicContact CD1-CE1 4.1Å; L74-Y209 HydrophobicContact CD1-CE2 4.11Å; L74-Y209 HydrophobicContact CD2-CD2 4.11Å; L74-Y209 HydrophobicContact CD2-CE2 4.12Å; L74-Y209 HydrophobicContact CG-CE2 4.49Å; F198-Y209 HydrophobicContact CZ-CD2 4.39Å; Y209-G211 VanDerWaalsContact CE2-O 3.22Å; Y209-G211 WeakPolarHBondContact CE2-O 3.45Å; Y209-G211 VanDerWaalsContact CZ-C 3.44Å; Y209-G211 VanDerWaalsContact OH-C 3.25Å; Y209-G211 WeakPolarHBondContact OH-CA 3.19Å; Y209-Y212 PolarHBondContact OH-N 2.6Å; Y209-Y212 VanDerWaalsContact OH-N 3.13Å; Y209-V223 HydrophobicContact CD2-CB 4.29Å; Y209-V223 HydrophobicContact CE2-CB 3.92Å; Y209-V223 HydrophobicContact CE2-CG1 3.84Å |
| 210 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 1.8 | -174.3 | -57.3 | -175.3 | 0 | 0 | 0 | 114.2 | N65 K68 E69 P70 L71 Q224 K226 M231 | N65-L210 PolarHBondContact ND2-O 3.19Å; K68-L210 HydrophobicContact CB-CD1 4.25Å; K68-L210 WeakPolarHBondContact O-CD2 3.44Å; E69-L210 VanDerWaalsContact C-CD2 3.46Å; E69-L210 WeakPolarHBondContact O-CD2 3.41Å; P70-L210 HydrophobicContact CG-CD2 4.45Å; L71-L210 WeakPolarHBondContact CD1-O 3.39Å; L210-Q224 HydrophobicContact CB-CB 4.33Å; L210-Q224 HydrophobicContact CB-CG 4.03Å; L210-Q224 HydrophobicContact CD1-CG 4.24Å; L210-Q224 PolarHBondContact N-O 3.03Å; L210-K226 HydrophobicContact CD1-CD 4.44Å; L210-K226 HydrophobicContact CD1-CG 4.05Å; L210-M231 HydrophobicContact CD1-CE 3.58Å; L210-M231 HydrophobicContact CD1-SD 3.49Å; L210-M231 WeakPolarHBondContact CD1-SD 3.31Å |
| 211 | G | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125 | 169.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K60 Y209 Q224 | K60-G211 CarbonylContact O-C 3.57Å; K60-G211 WeakPolarHBondContact O-CA 3.48Å; Y209-G211 VanDerWaalsContact CE2-O 3.22Å; Y209-G211 WeakPolarHBondContact CE2-O 3.45Å; Y209-G211 VanDerWaalsContact CZ-C 3.44Å; Y209-G211 VanDerWaalsContact OH-C 3.25Å; Y209-G211 WeakPolarHBondContact OH-CA 3.19Å; G211-Q224 PolarHBondContact O-N 3.14Å |
| 212 | Y | 95.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 150.3 | -178.9 | 65.1 | -88.5 | 0 | 0 | 0 | 111.6 | F58 K60 S61 S62 Y209 K215 E222 | F58-Y212 HydrophobicContact CB-CD1 3.84Å; F58-Y212 HydrophobicContact CB-CE1 4.03Å; F58-Y212 HydrophobicContact CD1-CD1 4.14Å; F58-Y212 HydrophobicContact CD1-CG 4.19Å; F58-Y212 HydrophobicContact CG-CD1 4.44Å; K60-Y212 VanDerWaalsContact C-CE1 3.45Å; K60-Y212 VanDerWaalsContact O-CD1 3.27Å; K60-Y212 WeakPolarHBondContact O-CD1 3.17Å; K60-Y212 PolarHBondContact O-N 2.99Å; S61-Y212 CarbonylContact C-O 3.59Å; S61-Y212 VanDerWaalsContact CA-O 3.23Å; S61-Y212 WeakPolarHBondContact CA-O 3.19Å; S62-Y212 PolarHBondContact N-O 3.25Å; S62-Y212 PolarHBondContact OG-O 3.31Å; Y209-Y212 PolarHBondContact OH-N 2.6Å; Y209-Y212 VanDerWaalsContact OH-N 3.13Å; Y212-K215 HydrophobicContact CD1-CD 4.12Å; Y212-K215 HydrophobicContact CD2-CB 4.02Å; Y212-K215 HydrophobicContact CD2-CD 3.83Å; Y212-K215 HydrophobicContact CD2-CG 3.79Å; Y212-K215 HydrophobicContact CE1-CD 3.89Å; Y212-K215 HydrophobicContact CE2-CD 3.59Å; Y212-K215 HydrophobicContact CE2-CG 3.78Å; Y212-K215 HydrophobicContact CG-CB 4.27Å; Y212-K215 HydrophobicContact CG-CD 4.1Å; Y212-K215 HydrophobicContact CG-CG 4.35Å; Y212-K215 VanDerWaalsContact CZ-CE 3.43Å; Y212-K215 WeakPolarHBondContact OH-CE 3.36Å; Y212-K215 PolarHBondContact OH-NZ 2.54Å; Y212-E222 CarbonylContact C-O 3.52Å; Y212-E222 WeakPolarHBondContact CA-O 3.49Å |
| 213 | R | 93.6 | Very high | 94.8 | Very high | 118 Ų | 118 | 50.2 Ų | 50.2 | 45% | 0.445 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -46.3 | 164.3 | -71.6 | -176 | 162.4 | -146.5 | -5.1 | 110.9 | S62 E222 C234 | S62-R213 WeakPolarHBondContact OG-CG 3.39Å; R213-E222 HydrophobicContact CB-CB 4.25Å; R213-E222 HydrophobicContact CB-CG 4.14Å; R213-E222 WeakPolarHBondContact CB-OE1 3.07Å; R213-E222 WeakPolarHBondContact CD-OE1 3.5Å; R213-E222 PolarHBondContact N-O 3.37Å; R213-C234 PolarHBondContact NH1-SG 2.78Å |
| 214 | I | 94.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.138 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.9 | 176.1 | -59.8 | 177.1 | 0 | 0 | 0 | 107.8 | Y220 A221 E222 P290 | I214-Y220 HydrophobicContact CG2-CE2 4.12Å; I214-A221 CarbonylContact O-C 3.6Å; I214-A221 VanDerWaalsContact O-CA 3.31Å; I214-A221 WeakPolarHBondContact O-CA 3.12Å; I214-E222 HydrophobicContact CB-CB 3.96Å; I214-E222 HydrophobicContact CG1-CB 4.38Å; I214-E222 PolarHBondContact N-O 3.45Å; I214-E222 PolarHBondContact O-N 3.39Å; I214-P290 HydrophobicContact CB-CB 4.05Å; I214-P290 HydrophobicContact CD1-CB 3.92Å; I214-P290 WeakPolarHBondContact CD1-O 3.26Å; I214-P290 HydrophobicContact CG2-CB 3.69Å |
| 215 | K | 93.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 40 Ų | 40 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.4 | 173.5 | 65.1 | 176.4 | -178.8 | 175.4 | 0 | 110.9 | F58 Y212 | F58-K215 HydrophobicContact CB-CD 3.6Å; F58-K215 HydrophobicContact CD1-CB 3.78Å; F58-K215 HydrophobicContact CD1-CD 4.15Å; F58-K215 HydrophobicContact CD2-CB 4.2Å; F58-K215 HydrophobicContact CD2-CD 4.03Å; F58-K215 HydrophobicContact CE1-CB 3.79Å; F58-K215 HydrophobicContact CE2-CB 4.2Å; F58-K215 HydrophobicContact CG-CB 3.99Å; F58-K215 HydrophobicContact CG-CD 3.66Å; F58-K215 HydrophobicContact CG-CG 4.49Å; F58-K215 HydrophobicContact CZ-CB 3.99Å; Y212-K215 HydrophobicContact CD1-CD 4.12Å; Y212-K215 HydrophobicContact CD2-CB 4.02Å; Y212-K215 HydrophobicContact CD2-CD 3.83Å; Y212-K215 HydrophobicContact CD2-CG 3.79Å; Y212-K215 HydrophobicContact CE1-CD 3.89Å; Y212-K215 HydrophobicContact CE2-CD 3.59Å; Y212-K215 HydrophobicContact CE2-CG 3.78Å; Y212-K215 HydrophobicContact CG-CB 4.27Å; Y212-K215 HydrophobicContact CG-CD 4.1Å; Y212-K215 HydrophobicContact CG-CG 4.35Å; Y212-K215 VanDerWaalsContact CZ-CE 3.43Å; Y212-K215 WeakPolarHBondContact OH-CE 3.36Å; Y212-K215 PolarHBondContact OH-NZ 2.54Å |
| 216 | K | 93 | Very high | 94.9 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 98.8 | 164 | -63.4 | -61.4 | 179.8 | -178.4 | 0 | 106.5 | G218 T219 Y220 N292 C294 | K216-G218 PolarHBondContact O-N 2.93Å; K216-T219 HydrophobicContact CB-CG2 4.47Å; K216-T219 WeakPolarHBondContact O-CA 3.48Å; K216-T219 WeakPolarHBondContact O-CB 3.24Å; K216-T219 PolarHBondContact O-N 3.31Å; K216-Y220 HydrophobicContact CB-CD2 4.04Å; K216-Y220 HydrophobicContact CB-CE2 3.86Å; K216-Y220 HydrophobicContact CG-CD2 3.99Å; K216-Y220 HydrophobicContact CG-CE2 3.33Å; K216-Y220 PolarHBondContact N-O 2.8Å; K216-Y220 PolarHBondContact O-N 3.32Å; K216-Y220 VanDerWaalsContact O-N 3.1Å; K216-Y220 VanDerWaalsContact O-O 3.09Å; K216-N292 WeakPolarHBondContact CE-O 3.49Å; K216-N292 PolarHBondContact NZ-O 3.04Å; K216-C294 VanDerWaalsContact CE-SG 3.53Å |
| 217 | E | 86.6 | Confident | 94.8 | Very high | 160 Ų | 160 | 34 Ų | 34 | 75% | 0.748 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 134.4 | -174.1 | -168.4 | 179.3 | 160.3 | 0 | 0 | 111.4 | T219 | E217-T219 PolarHBondContact O-N 3.29Å; E217-T219 VanDerWaalsContact O-N 3.12Å; E217-T219 PolarHBondContact O-OG1 2.91Å |
| 218 | G | 88 | Confident | 94.8 | Very high | 23 Ų | 23 | 38 Ų | 38 | 24% | 0.237 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 15.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K216 R264 | K216-G218 PolarHBondContact O-N 2.93Å; G218-R264 VanDerWaalsContact O-CD 3.32Å; G218-R264 WeakPolarHBondContact O-CD 3.12Å; G218-R264 PolarHBondContact O-NH1 2.81Å |
| 219 | T | 92.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -76.2 | -179.5 | -52 | 0 | 0 | 0 | 0 | 110.7 | K216 E217 L239 F263 R264 C266 | K216-T219 HydrophobicContact CB-CG2 4.47Å; K216-T219 WeakPolarHBondContact O-CA 3.48Å; K216-T219 WeakPolarHBondContact O-CB 3.24Å; K216-T219 PolarHBondContact O-N 3.31Å; E217-T219 PolarHBondContact O-N 3.29Å; E217-T219 VanDerWaalsContact O-N 3.12Å; E217-T219 PolarHBondContact O-OG1 2.91Å; T219-L239 PolarHBondContact O-N 3.28Å; T219-F263 HydrophobicContact CG2-CD1 3.58Å; T219-F263 HydrophobicContact CG2-CE1 3.97Å; T219-F263 HydrophobicContact CG2-CG 4.47Å; T219-F263 WeakPolarHBondContact CG2-O 3.27Å; T219-F263 VanDerWaalsContact O-CE1 3.3Å; T219-F263 WeakPolarHBondContact O-CE1 3.34Å; T219-R264 HydrophobicContact CG2-CB 3.85Å; T219-C266 HydrophobicContact CG2-CB 4.26Å |
| 220 | Y | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 161.7 | 177.1 | 51.7 | -116.5 | 0 | 0 | 0 | 110 | I214 K216 M237 F263 C266 W267 L268 P290 G291 | I214-Y220 HydrophobicContact CG2-CE2 4.12Å; K216-Y220 HydrophobicContact CB-CD2 4.04Å; K216-Y220 HydrophobicContact CB-CE2 3.86Å; K216-Y220 HydrophobicContact CG-CD2 3.99Å; K216-Y220 HydrophobicContact CG-CE2 3.33Å; K216-Y220 PolarHBondContact N-O 2.8Å; K216-Y220 PolarHBondContact O-N 3.32Å; K216-Y220 VanDerWaalsContact O-N 3.1Å; K216-Y220 VanDerWaalsContact O-O 3.09Å; Y220-M237 VanDerWaalsContact CA-O 3.28Å; Y220-M237 WeakPolarHBondContact CA-O 3.21Å; Y220-M237 VanDerWaalsContact CB-O 3.31Å; Y220-M237 WeakPolarHBondContact CB-O 3.22Å; Y220-F263 HydrophobicContact CD1-CD1 4.26Å; Y220-C266 HydrophobicContact CE1-CB 3.71Å; Y220-C266 WeakPolarHBondContact OH-CB 3.46Å; Y220-W267 PolarHBondContact OH-O 3.34Å; Y220-L268 HydrophobicContact CD1-CD2 3.76Å; Y220-L268 HydrophobicContact CE1-CB 4.13Å; Y220-L268 HydrophobicContact CE1-CD2 3.84Å; Y220-P290 HydrophobicContact CD2-CB 3.45Å; Y220-P290 VanDerWaalsContact CD2-CB 3.45Å; Y220-P290 HydrophobicContact CD2-CG 3.7Å; Y220-P290 HydrophobicContact CE2-CB 3.47Å; Y220-P290 VanDerWaalsContact CE2-CB 3.47Å; Y220-P290 HydrophobicContact CE2-CG 4.22Å; Y220-P290 HydrophobicContact CG-CB 4.28Å; Y220-P290 HydrophobicContact CG-CG 4.14Å; Y220-G291 PolarHBondContact OH-N 2.7Å; Y220-G291 PolarHBondContact OH-O 2.89Å |
| 221 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F58 I214 V223 A236 M237 L239 | F58-A221 HydrophobicContact CE1-CB 3.58Å; F58-A221 HydrophobicContact CZ-CB 3.83Å; I214-A221 CarbonylContact O-C 3.6Å; I214-A221 VanDerWaalsContact O-CA 3.31Å; I214-A221 WeakPolarHBondContact O-CA 3.12Å; A221-V223 HydrophobicContact CB-CG1 3.98Å; A221-A236 CarbonylContact O-C 3.57Å; A221-A236 VanDerWaalsContact O-CA 3.3Å; A221-A236 WeakPolarHBondContact O-CA 3.19Å; A221-M237 PolarHBondContact N-O 3.44Å; A221-M237 PolarHBondContact O-N 3.29Å; A221-L239 HydrophobicContact CB-CD1 4.08Å |
| 222 | E | 96 | Very high | 94.5 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.8 | 161.3 | -173.2 | -178.3 | 114.1 | 0 | 0 | 107.8 | Y212 R213 I214 C234 S235 P290 | Y212-E222 CarbonylContact C-O 3.52Å; Y212-E222 WeakPolarHBondContact CA-O 3.49Å; R213-E222 HydrophobicContact CB-CB 4.25Å; R213-E222 HydrophobicContact CB-CG 4.14Å; R213-E222 WeakPolarHBondContact CB-OE1 3.07Å; R213-E222 WeakPolarHBondContact CD-OE1 3.5Å; R213-E222 PolarHBondContact N-O 3.37Å; I214-E222 HydrophobicContact CB-CB 3.96Å; I214-E222 HydrophobicContact CG1-CB 4.38Å; I214-E222 PolarHBondContact N-O 3.45Å; I214-E222 PolarHBondContact O-N 3.39Å; E222-C234 HydrophobicContact CG-CB 4.26Å; E222-S235 CarbonylContact C-O 3.51Å; E222-S235 VanDerWaalsContact CA-O 3.29Å; E222-S235 WeakPolarHBondContact CA-O 3.39Å; E222-P290 HydrophobicContact CB-CG 4.43Å |
| 223 | V | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.1 | -171.5 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | L74 F198 Y209 A221 F225 S235 M237 | L74-V223 HydrophobicContact CD2-CG1 3.83Å; F198-V223 HydrophobicContact CE2-CG2 4.03Å; Y209-V223 HydrophobicContact CD2-CB 4.29Å; Y209-V223 HydrophobicContact CE2-CB 3.92Å; Y209-V223 HydrophobicContact CE2-CG1 3.84Å; A221-V223 HydrophobicContact CB-CG1 3.98Å; V223-F225 HydrophobicContact CG2-CD1 4.14Å; V223-F225 HydrophobicContact CG2-CE1 4.47Å; V223-S235 PolarHBondContact N-O 2.89Å; V223-S235 PolarHBondContact O-N 3.17Å; V223-M237 HydrophobicContact CG2-CE 3.76Å |
| 224 | Q | 96.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.2 | 168.7 | -178.4 | 171.3 | 2.5 | 0 | 0 | 108.8 | S62 L210 G211 M231 K232 | S62-Q224 VanDerWaalsContact CB-OE1 3.24Å; L210-Q224 HydrophobicContact CB-CB 4.33Å; L210-Q224 HydrophobicContact CB-CG 4.03Å; L210-Q224 HydrophobicContact CD1-CG 4.24Å; L210-Q224 PolarHBondContact N-O 3.03Å; G211-Q224 PolarHBondContact O-N 3.14Å; Q224-M231 HydrophobicContact CG-SD 4.15Å; Q224-M231 PolarHBondContact NE2-SD 3.32Å; Q224-K232 WeakPolarHBondContact CA-O 3.42Å; Q224-K232 WeakPolarHBondContact CG-O 3.42Å |
| 225 | F | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 169.8 | 178.9 | 60.4 | -89.3 | 0 | 0 | 0 | 112.1 | V189 M192 F198 I207 E208 V223 W227 K232 | V189-F225 HydrophobicContact CG1-CE2 4.42Å; M192-F225 HydrophobicContact CB-CZ 4.48Å; M192-F225 HydrophobicContact CG-CZ 4.41Å; M192-F225 HydrophobicContact SD-CE1 4.41Å; M192-F225 HydrophobicContact SD-CE2 3.72Å; M192-F225 HydrophobicContact SD-CZ 3.43Å; M192-F225 WeakPolarHBondContact SD-CZ 3.48Å; F198-F225 HydrophobicContact CD2-CD1 4.24Å; F198-F225 HydrophobicContact CD2-CE1 4.19Å; F198-F225 HydrophobicContact CE2-CB 3.94Å; F198-F225 AromaticContact CE2-CD1 3.51Å; F198-F225 HydrophobicContact CE2-CD1 3.51Å; F198-F225 HydrophobicContact CE2-CD2 4.37Å; F198-F225 AromaticContact CE2-CE1 3.91Å; F198-F225 HydrophobicContact CE2-CE1 3.91Å; F198-F225 AromaticContact CE2-CG 3.71Å; F198-F225 HydrophobicContact CE2-CG 3.71Å; F198-F225 HydrophobicContact CZ-CB 4.18Å; F198-F225 HydrophobicContact CZ-CD1 4.48Å; F198-F225 HydrophobicContact CZ-CG 4.43Å; I207-F225 HydrophobicContact CD1-CD2 4.03Å; I207-F225 HydrophobicContact CD1-CE2 3.93Å; I207-F225 HydrophobicContact CG1-CD2 4.2Å; I207-F225 HydrophobicContact CG1-CE2 4.45Å; I207-F225 HydrophobicContact CG2-CB 4.23Å; I207-F225 HydrophobicContact CG2-CD2 4.36Å; I207-F225 HydrophobicContact CG2-CG 4.49Å; E208-F225 CarbonylContact O-C 3.54Å; E208-F225 WeakPolarHBondContact O-CA 3.41Å; E208-F225 VanDerWaalsContact O-CB 3.22Å; E208-F225 WeakPolarHBondContact O-CB 3.37Å; V223-F225 HydrophobicContact CG2-CD1 4.14Å; V223-F225 HydrophobicContact CG2-CE1 4.47Å; F225-W227 HydrophobicContact CD2-CB 4.09Å; F225-W227 HydrophobicContact CE2-CB 3.87Å; F225-K232 HydrophobicContact CD1-CB 4.17Å; F225-K232 HydrophobicContact CD2-CB 4.17Å; F225-K232 HydrophobicContact CE1-CB 3.94Å; F225-K232 HydrophobicContact CE1-CD 3.64Å; F225-K232 HydrophobicContact CE1-CG 4.13Å; F225-K232 HydrophobicContact CE2-CB 3.87Å; F225-K232 HydrophobicContact CE2-CD 4.13Å; F225-K232 HydrophobicContact CG-CB 4.33Å; F225-K232 HydrophobicContact CZ-CB 3.79Å; F225-K232 HydrophobicContact CZ-CD 3.35Å; F225-K232 HydrophobicContact CZ-CG 4.1Å; F225-K232 PolarHBondContact N-O 3.42Å; F225-K232 PolarHBondContact O-N 2.87Å |
| 226 | K | 96.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 34 Ų | 34 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.4 | 157.4 | -72.6 | 166.3 | 178.2 | -177.7 | 0 | 109.3 | I207 E208 L210 V230 M231 | I207-K226 CarbonylContact C-O 3.56Å; I207-K226 VanDerWaalsContact CA-O 3.31Å; I207-K226 WeakPolarHBondContact CA-O 3.17Å; E208-K226 HydrophobicContact CB-CB 4.29Å; E208-K226 PolarHBondContact N-O 2.69Å; E208-K226 PolarHBondContact O-N 2.87Å; E208-K226 WeakPolarHBondContact OE2-CD 3.45Å; L210-K226 HydrophobicContact CD1-CD 4.44Å; L210-K226 HydrophobicContact CD1-CG 4.05Å; K226-V230 CarbonylContact C-O 3.57Å; K226-V230 WeakPolarHBondContact CA-O 3.3Å; K226-M231 HydrophobicContact CD-CE 3.95Å; K226-M231 HydrophobicContact CG-CE 3.52Å; K226-M231 HydrophobicContact CG-SD 4.15Å |
| 227 | W | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.7 | 170.2 | 175.4 | 26.4 | 0 | 0 | 0 | 107.9 | P100 G182 F184 V189 M192 L201 E206 I207 F225 G229 V230 | P100-W227 HydrophobicContact CB-CH2 3.37Å; P100-W227 HydrophobicContact CB-CZ2 3.85Å; P100-W227 HydrophobicContact CB-CZ3 4.24Å; P100-W227 HydrophobicContact CG-CH2 4.07Å; P100-W227 HydrophobicContact CG-CZ2 4.03Å; G182-W227 WeakPolarHBondContact O-CH2 3.3Å; F184-W227 HydrophobicContact CD1-CE3 4.42Å; F184-W227 HydrophobicContact CD2-CZ3 4.47Å; F184-W227 HydrophobicContact CE1-CB 4.46Å; F184-W227 AromaticContact CE1-CD2 3.9Å; F184-W227 HydrophobicContact CE1-CD2 3.9Å; F184-W227 AromaticContact CE1-CE3 3.67Å; F184-W227 HydrophobicContact CE1-CE3 3.67Å; F184-W227 HydrophobicContact CE1-CG 4.24Å; F184-W227 HydrophobicContact CE1-CZ3 4.26Å; F184-W227 WeakPolarHBondContact CE1-O 3.43Å; F184-W227 HydrophobicContact CE2-CD2 4.05Å; F184-W227 AromaticContact CE2-CE2 3.95Å; F184-W227 HydrophobicContact CE2-CE3 4.03Å; F184-W227 AromaticContact CE2-CH2 4Å; F184-W227 HydrophobicContact CE2-CH2 4Å; F184-W227 AromaticContact CE2-CZ2 3.93Å; F184-W227 HydrophobicContact CE2-CZ2 3.93Å; F184-W227 HydrophobicContact CE2-CZ3 4.02Å; F184-W227 HydrophobicContact CZ-CB 4.44Å; F184-W227 AromaticContact CZ-CD2 3.32Å; F184-W227 HydrophobicContact CZ-CD2 3.32Å; F184-W227 AromaticContact CZ-CE2 3.63Å; F184-W227 AromaticContact CZ-CE3 3.44Å; F184-W227 HydrophobicContact CZ-CE3 3.44Å; F184-W227 VanDerWaalsContact CZ-CE3 3.44Å; F184-W227 AromaticContact CZ-CG 3.79Å; F184-W227 HydrophobicContact CZ-CG 3.79Å; F184-W227 HydrophobicContact CZ-CH2 4.22Å; F184-W227 HydrophobicContact CZ-CZ2 4.07Å; F184-W227 AromaticContact CZ-CZ3 3.9Å; F184-W227 HydrophobicContact CZ-CZ3 3.9Å; V189-W227 HydrophobicContact CG1-CE3 3.59Å; V189-W227 HydrophobicContact CG1-CZ3 4.03Å; V189-W227 HydrophobicContact CG2-CB 4.25Å; V189-W227 HydrophobicContact CG2-CE3 4.14Å; M192-W227 HydrophobicContact CE-CD2 3.46Å; M192-W227 VanDerWaalsContact CE-CD2 3.46Å; M192-W227 HydrophobicContact CE-CE3 3.25Å; M192-W227 HydrophobicContact CE-CG 4.16Å; M192-W227 HydrophobicContact CE-CH2 3.76Å; M192-W227 HydrophobicContact CE-CZ2 4.01Å; M192-W227 HydrophobicContact CE-CZ3 3.4Å; M192-W227 VanDerWaalsContact CE-CZ3 3.4Å; L201-W227 HydrophobicContact CD1-CD2 4.42Å; L201-W227 HydrophobicContact CD1-CZ2 4.34Å; E206-W227 WeakPolarHBondContact O-CA 3.43Å; I207-W227 HydrophobicContact CD1-CB 4.23Å; I207-W227 HydrophobicContact CD1-CG 4.28Å; I207-W227 HydrophobicContact CG1-CB 3.75Å; I207-W227 HydrophobicContact CG1-CG 3.9Å; F225-W227 HydrophobicContact CD2-CB 4.09Å; F225-W227 HydrophobicContact CE2-CB 3.87Å; W227-G229 PolarHBondContact O-N 3.18Å; W227-V230 PolarHBondContact N-O 3.01Å; W227-V230 WeakPolarHBondContact O-CB 3.48Å; W227-V230 PolarHBondContact O-N 2.92Å |
| 228 | N | 96.2 | Very high | 95.2 | Very high | 92 Ų | 92 | 23.9 Ų | 23.9 | 49% | 0.492 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.5 | -172.4 | -65.3 | -18.2 | 0 | 0 | 0 | 112.3 | F184 E206 V230 | F184-N228 HydrophobicContact CZ-CB 4.09Å; E206-N228 PolarHBondContact O-N 3.04Å; E206-N228 PolarHBondContact O-OD1 3.34Å; N228-V230 PolarHBondContact O-N 2.86Å |
| 229 | G | 94.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 22.8 Ų | 22.8 | 58% | 0.577 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -15.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | W227 | W227-G229 PolarHBondContact O-N 3.18Š|
| 230 | V | 96.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.6 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 111 | F184 D187 V189 K226 W227 N228 | F184-V230 HydrophobicContact CD1-CB 4.12Å; F184-V230 HydrophobicContact CD1-CG1 4.33Å; F184-V230 HydrophobicContact CD1-CG2 3.97Å; F184-V230 HydrophobicContact CE1-CB 3.87Å; F184-V230 HydrophobicContact CE1-CG2 3.82Å; D187-V230 WeakPolarHBondContact O-CG1 3.47Å; V189-V230 HydrophobicContact CG2-CB 3.9Å; V189-V230 HydrophobicContact CG2-CG1 3.82Å; K226-V230 CarbonylContact C-O 3.57Å; K226-V230 WeakPolarHBondContact CA-O 3.3Å; W227-V230 PolarHBondContact N-O 3.01Å; W227-V230 WeakPolarHBondContact O-CB 3.48Å; W227-V230 PolarHBondContact O-N 2.92Å; N228-V230 PolarHBondContact O-N 2.86Å |
| 231 | M | 94.1 | Very high | 95.6 | Very high | 48 Ų | 48 | 23.5 Ų | 23.5 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.5 | -173.1 | -173.5 | 66.6 | 53.7 | 0 | 0 | 112.4 | K68 L210 Q224 K226 V233 | K68-M231 HydrophobicContact CB-CE 4.31Å; K68-M231 HydrophobicContact CD-CE 3.86Å; K68-M231 HydrophobicContact CD-SD 4.47Å; L210-M231 HydrophobicContact CD1-CE 3.58Å; L210-M231 HydrophobicContact CD1-SD 3.49Å; L210-M231 WeakPolarHBondContact CD1-SD 3.31Å; Q224-M231 HydrophobicContact CG-SD 4.15Å; Q224-M231 PolarHBondContact NE2-SD 3.32Å; K226-M231 HydrophobicContact CD-CE 3.95Å; K226-M231 HydrophobicContact CG-CE 3.52Å; K226-M231 HydrophobicContact CG-SD 4.15Å; M231-V233 HydrophobicContact CG-CG2 4.25Å |
| 232 | K | 95.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 6% | 0.057 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.3 | 162 | -166.3 | 165.7 | -167.5 | 145.1 | 0 | 111.5 | V189 L190 G191 Q224 F225 C234 | V189-K232 HydrophobicContact CB-CB 4Å; V189-K232 HydrophobicContact CB-CD 4.05Å; V189-K232 HydrophobicContact CB-CG 4.32Å; V189-K232 HydrophobicContact CG1-CB 4.47Å; V189-K232 HydrophobicContact CG1-CD 3.8Å; V189-K232 HydrophobicContact CG2-CB 4.49Å; V189-K232 WeakPolarHBondContact O-CE 3.44Å; V189-K232 PolarHBondContact O-NZ 3.11Å; L190-K232 PolarHBondContact O-NZ 2.81Å; G191-K232 VanDerWaalsContact N-NZ 3.15Å; G191-K232 WeakPolarHBondContact O-CE 3.33Å; G191-K232 PolarHBondContact O-NZ 3.27Å; Q224-K232 WeakPolarHBondContact CA-O 3.42Å; Q224-K232 WeakPolarHBondContact CG-O 3.42Å; F225-K232 HydrophobicContact CD1-CB 4.17Å; F225-K232 HydrophobicContact CD2-CB 4.17Å; F225-K232 HydrophobicContact CE1-CB 3.94Å; F225-K232 HydrophobicContact CE1-CD 3.64Å; F225-K232 HydrophobicContact CE1-CG 4.13Å; F225-K232 HydrophobicContact CE2-CB 3.87Å; F225-K232 HydrophobicContact CE2-CD 4.13Å; F225-K232 HydrophobicContact CG-CB 4.33Å; F225-K232 HydrophobicContact CZ-CB 3.79Å; F225-K232 HydrophobicContact CZ-CD 3.35Å; F225-K232 HydrophobicContact CZ-CG 4.1Å; F225-K232 PolarHBondContact N-O 3.42Å; F225-K232 PolarHBondContact O-N 2.87Å; K232-C234 VanDerWaalsContact CE-O 3.24Å; K232-C234 WeakPolarHBondContact CE-O 3.36Å |
| 233 | V | 92.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 21.9 Ų | 21.9 | 39% | 0.394 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -36.2 | -175.5 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | M231 | M231-V233 HydrophobicContact CG-CG2 4.25Å |
| 234 | C | 92.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 22.2 Ų | 22.2 | 33% | 0.331 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.7 | 179.4 | -55 | 0 | 0 | 0 | 0 | 110.2 | R213 E222 K232 | R213-C234 PolarHBondContact NH1-SG 2.78Å; E222-C234 HydrophobicContact CG-CB 4.26Å; K232-C234 VanDerWaalsContact CE-O 3.24Å; K232-C234 WeakPolarHBondContact CE-O 3.36Å |
| 235 | S | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.8 | 155.9 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | M192 H193 E222 V223 | M192-S235 PolarHBondContact O-OG 2.97Å; H193-S235 PolarHBondContact ND1-OG 2.88Å; E222-S235 CarbonylContact C-O 3.51Å; E222-S235 VanDerWaalsContact CA-O 3.29Å; E222-S235 WeakPolarHBondContact CA-O 3.39Å; V223-S235 PolarHBondContact N-O 2.89Å; V223-S235 PolarHBondContact O-N 3.17Å |
| 236 | A | 96.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H193 A221 P288 P290 | H193-A236 WeakPolarHBondContact CA-O 3.28Å; H193-A236 VanDerWaalsContact CB-O 3.32Å; H193-A236 WeakPolarHBondContact CB-O 3.4Å; H193-A236 PolarHBondContact ND1-O 2.97Å; A221-A236 CarbonylContact O-C 3.57Å; A221-A236 VanDerWaalsContact O-CA 3.3Å; A221-A236 WeakPolarHBondContact O-CA 3.19Å; A236-P288 WeakPolarHBondContact CB-O 3.3Å; A236-P290 HydrophobicContact CB-CG 3.81Å |
| 237 | M | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.6 | 175.6 | 59.9 | -172 | 69.7 | 0 | 0 | 110.3 | F75 H193 W195 F198 Y220 A221 V223 L239 | F75-M237 HydrophobicContact CZ-SD 4.21Å; H193-M237 WeakPolarHBondContact O-CA 3.25Å; H193-M237 VanDerWaalsContact O-CB 3.32Å; H193-M237 WeakPolarHBondContact O-CB 3.45Å; W195-M237 HydrophobicContact CB-CG 4.39Å; W195-M237 HydrophobicContact CB-SD 3.81Å; F198-M237 HydrophobicContact CB-CE 4.17Å; F198-M237 HydrophobicContact CB-SD 4.38Å; F198-M237 HydrophobicContact CD2-CE 3.68Å; F198-M237 HydrophobicContact CE2-CE 4.39Å; F198-M237 HydrophobicContact CG-CE 4.17Å; Y220-M237 VanDerWaalsContact CA-O 3.28Å; Y220-M237 WeakPolarHBondContact CA-O 3.21Å; Y220-M237 VanDerWaalsContact CB-O 3.31Å; Y220-M237 WeakPolarHBondContact CB-O 3.22Å; A221-M237 PolarHBondContact N-O 3.44Å; A221-M237 PolarHBondContact O-N 3.29Å; V223-M237 HydrophobicContact CG2-CE 3.76Å; M237-L239 HydrophobicContact CG-CD2 4.23Å; M237-L239 HydrophobicContact SD-CD2 4.48Å |
| 238 | F | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 152.6 | 161.3 | -63.4 | -60.9 | 0 | 0 | 0 | 109.7 | W195 T241 D246 F249 L250 F263 L268 P288 | W195-F238 WeakPolarHBondContact CB-O 3.5Å; F238-T241 HydrophobicContact CB-CG2 3.73Å; F238-T241 WeakPolarHBondContact CB-OG1 3.19Å; F238-T241 HydrophobicContact CG-CG2 4.38Å; F238-D246 WeakPolarHBondContact CD2-OD1 3.34Å; F238-F249 HydrophobicContact CE1-CE1 4.4Å; F238-F249 AromaticContact CE2-CD1 3.83Å; F238-F249 HydrophobicContact CE2-CD1 3.83Å; F238-F249 HydrophobicContact CE2-CE1 4.16Å; F238-F249 AromaticContact CZ-CD1 3.61Å; F238-F249 HydrophobicContact CZ-CD1 3.61Å; F238-F249 AromaticContact CZ-CE1 3.48Å; F238-F249 HydrophobicContact CZ-CE1 3.48Å; F238-F249 VanDerWaalsContact CZ-CE1 3.48Å; F238-F249 HydrophobicContact CZ-CG 4.37Å; F238-F249 HydrophobicContact CZ-CZ 4.11Å; F238-L250 HydrophobicContact CE2-CD2 4.12Å; F238-F263 HydrophobicContact CB-CE1 4.43Å; F238-F263 AromaticContact CD1-CD1 3.57Å; F238-F263 HydrophobicContact CD1-CD1 3.57Å; F238-F263 AromaticContact CD1-CE1 3.44Å; F238-F263 HydrophobicContact CD1-CE1 3.44Å; F238-F263 VanDerWaalsContact CD1-CE1 3.44Å; F238-F263 HydrophobicContact CD1-CG 4.36Å; F238-F263 HydrophobicContact CD1-CZ 4.15Å; F238-F263 AromaticContact CE1-CD1 3.73Å; F238-F263 HydrophobicContact CE1-CD1 3.73Å; F238-F263 HydrophobicContact CE1-CE1 4.05Å; F238-F263 HydrophobicContact CE1-CG 4.14Å; F238-F263 HydrophobicContact CG-CE1 4.26Å; F238-L268 HydrophobicContact CE1-CD2 3.74Å; F238-L268 HydrophobicContact CZ-CD2 4.45Å; F238-P288 HydrophobicContact CD1-CG 4.34Å; F238-P288 HydrophobicContact CD2-CG 4.26Å; F238-P288 HydrophobicContact CE1-CB 3.87Å; F238-P288 HydrophobicContact CE1-CG 3.99Å; F238-P288 HydrophobicContact CE2-CB 4.32Å; F238-P288 HydrophobicContact CE2-CG 3.89Å; F238-P288 HydrophobicContact CG-CG 4.47Å; F238-P288 HydrophobicContact CZ-CB 3.68Å; F238-P288 HydrophobicContact CZ-CG 3.73Å |
| 239 | L | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -116.4 | 145.8 | 175 | -60 | 174 | 0 | 0 | 0 | 109.1 | F58 F75 W195 T219 A221 M237 T241 R264 | F58-L239 HydrophobicContact CE2-CD1 4.49Å; F58-L239 HydrophobicContact CZ-CD1 3.82Å; F75-L239 HydrophobicContact CZ-CD2 4.37Å; W195-L239 HydrophobicContact CB-CD2 4.21Å; T219-L239 PolarHBondContact O-N 3.28Å; A221-L239 HydrophobicContact CB-CD1 4.08Å; M237-L239 HydrophobicContact CG-CD2 4.23Å; M237-L239 HydrophobicContact SD-CD2 4.48Å; L239-T241 PolarHBondContact O-N 2.79Å; L239-R264 PolarHBondContact O-NH1 3.08Å |
| 240 | K | 93.3 | Very high | 96 | Very high | 28 Ų | 28 | 12.1 Ų | 12.1 | 12% | 0.122 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 57.4 | 35.7 | 173.1 | -173.2 | -154.1 | 166.2 | -165.1 | 0 | 111 | N46 I49 R264 | N46-K240 PolarHBondContact OD1-NZ 2.84Å; I49-K240 HydrophobicContact CB-CG 4.06Å; I49-K240 HydrophobicContact CG2-CG 3.82Å; I49-K240 WeakPolarHBondContact O-CE 3.41Å; I49-K240 WeakPolarHBondContact O-CG 3.45Å; K240-R264 PolarHBondContact O-NH1 3.46Å; K240-R264 PolarHBondContact O-NH2 3.02Å |
| 241 | T | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -108.9 | 155.1 | 172.4 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | D45 W195 F238 L239 F245 D246 F263 | D45-T241 WeakPolarHBondContact OD2-CA 3.34Å; W195-T241 PolarHBondContact NE1-O 2.91Å; F238-T241 HydrophobicContact CB-CG2 3.73Å; F238-T241 WeakPolarHBondContact CB-OG1 3.19Å; F238-T241 HydrophobicContact CG-CG2 4.38Å; L239-T241 PolarHBondContact O-N 2.79Å; T241-F245 HydrophobicContact CG2-CD1 3.41Å; T241-F245 VanDerWaalsContact CG2-CD1 3.41Å; T241-F245 HydrophobicContact CG2-CE1 3.72Å; T241-F245 HydrophobicContact CG2-CG 4.2Å; T241-D246 WeakPolarHBondContact CB-OD1 3.43Å; T241-D246 PolarHBondContact OG1-OD1 2.99Å; T241-F263 HydrophobicContact CG2-CE1 4.36Å; T241-F263 HydrophobicContact CG2-CE2 4.39Å; T241-F263 HydrophobicContact CG2-CZ 3.59Å | ||
| 242 | T | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -91 | 158.5 | 170.4 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | D45 K48 I49 E244 F245 D246 | D45-T242 WeakPolarHBondContact OD1-CB 3.29Å; D45-T242 VanDerWaalsContact OD1-CG2 3.27Å; D45-T242 WeakPolarHBondContact OD1-CG2 3.31Å; D45-T242 PolarHBondContact OD1-N 3.14Å; D45-T242 PolarHBondContact OD1-OG1 3.29Å; K48-T242 HydrophobicContact CB-CG2 3.82Å; K48-T242 HydrophobicContact CD-CG2 3.71Å; K48-T242 HydrophobicContact CG-CG2 4.43Å; I49-T242 HydrophobicContact CD1-CG2 4.13Å; I49-T242 HydrophobicContact CG1-CG2 4.28Å; T242-E244 VanDerWaalsContact CB-CD 3.41Å; T242-E244 WeakPolarHBondContact CB-OE2 3.41Å; T242-E244 PolarHBondContact O-N 2.61Å; T242-E244 VanDerWaalsContact OG1-CG 3.27Å; T242-E244 WeakPolarHBondContact OG1-CG 3.19Å; T242-E244 PolarHBondContact OG1-OE1 2.82Å; T242-E244 PolarHBondContact OG1-OE2 3.07Å; T242-E244 VanDerWaalsContact OG1-OE2 3.14Å; T242-F245 WeakPolarHBondContact O-CB 3.48Å; T242-F245 PolarHBondContact O-N 3.12Å; T242-D246 PolarHBondContact O-N 2.51Å; T242-D246 VanDerWaalsContact O-N 3.1Å | ||
| 243 | P | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.2 | -38.6 | 177.2 | -27.1 | 35.7 | 0 | 0 | 0 | 113.3 | I88 F91 F119 I196 F245 D246 M247 | I88-P243 HydrophobicContact CG1-CG 3.95Å; F91-P243 HydrophobicContact CB-CB 4.35Å; F91-P243 HydrophobicContact CB-CG 3.95Å; F91-P243 HydrophobicContact CD1-CB 4.31Å; F91-P243 HydrophobicContact CD1-CG 3.65Å; F91-P243 HydrophobicContact CE1-CG 4.35Å; F91-P243 HydrophobicContact CG-CB 4.27Å; F91-P243 HydrophobicContact CG-CG 3.95Å; F119-P243 HydrophobicContact CE2-CB 3.85Å; F119-P243 HydrophobicContact CZ-CB 4.07Å; I196-P243 HydrophobicContact CD1-CG 4.01Å; P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3Å; P243-D246 PolarHBondContact O-N 2.93Å; P243-M247 WeakPolarHBondContact O-CB 3.49Å; P243-M247 WeakPolarHBondContact O-CG 3.5Å; P243-M247 PolarHBondContact O-N 3.2Å |
| 244 | E | 97.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 5.6 Ų | 5.6 | 4% | 0.037 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.2 | -31.7 | 177 | 63.3 | -92.4 | -141.4 | 0 | 0 | 113.5 | K48 T87 V123 S126 V128 T242 A248 | K48-E244 IonicContact NZ-OE1 2.68Å; K48-E244 PolarHBondContact NZ-OE1 2.62Å; T87-E244 WeakPolarHBondContact CB-OE2 3.22Å; T87-E244 HydrophobicContact CG2-CB 4.29Å; T87-E244 HydrophobicContact CG2-CG 4.47Å; T87-E244 VanDerWaalsContact CG2-OE2 3.28Å; T87-E244 WeakPolarHBondContact CG2-OE2 2.74Å; T87-E244 VanDerWaalsContact OG1-CD 3.26Å; T87-E244 PolarHBondContact OG1-OE1 3.35Å; T87-E244 PolarHBondContact OG1-OE2 3.33Å; V123-E244 HydrophobicContact CB-CB 4.4Å; V123-E244 HydrophobicContact CG1-CB 4.07Å; V123-E244 HydrophobicContact CG2-CB 4.25Å; S126-E244 WeakPolarHBondContact OG-CB 3.15Å; S126-E244 WeakPolarHBondContact OG-CG 3.32Å; V128-E244 HydrophobicContact CB-CG 4.41Å; T242-E244 VanDerWaalsContact CB-CD 3.41Å; T242-E244 WeakPolarHBondContact CB-OE2 3.41Å; T242-E244 PolarHBondContact O-N 2.61Å; T242-E244 VanDerWaalsContact OG1-CG 3.27Å; T242-E244 WeakPolarHBondContact OG1-CG 3.19Å; T242-E244 PolarHBondContact OG1-OE1 2.82Å; T242-E244 PolarHBondContact OG1-OE2 3.07Å; T242-E244 VanDerWaalsContact OG1-OE2 3.14Å; E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.96Å |
| 245 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -69.1 | -51.3 | 174.4 | 175.7 | -83.2 | 0 | 0 | 0 | 110.2 | M41 E42 D45 V128 T241 T242 P243 M247 A248 F249 F263 | M41-F245 HydrophobicContact CB-CD2 4.14Å; M41-F245 HydrophobicContact CB-CE2 3.82Å; M41-F245 HydrophobicContact CE-CD2 4.47Å; M41-F245 HydrophobicContact CE-CE2 4.47Å; E42-F245 HydrophobicContact CG-CE2 4.14Å; E42-F245 HydrophobicContact CG-CZ 4.34Å; D45-F245 HydrophobicContact CB-CB 4.16Å; D45-F245 HydrophobicContact CB-CD2 3.78Å; D45-F245 HydrophobicContact CB-CG 4.21Å; V128-F245 HydrophobicContact CG1-CB 4.44Å; V128-F245 HydrophobicContact CG1-CD2 4.31Å; T241-F245 HydrophobicContact CG2-CD1 3.41Å; T241-F245 VanDerWaalsContact CG2-CD1 3.41Å; T241-F245 HydrophobicContact CG2-CE1 3.72Å; T241-F245 HydrophobicContact CG2-CG 4.2Å; T242-F245 WeakPolarHBondContact O-CB 3.48Å; T242-F245 PolarHBondContact O-N 3.12Å; P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3Å; F245-M247 VanDerWaalsContact C-N 3.33Å; F245-M247 PolarHBondContact O-N 3.33Å; F245-A248 PolarHBondContact O-N 2.84Å; F245-F249 HydrophobicContact CD1-CB 4.4Å; F245-F249 HydrophobicContact CE1-CB 3.99Å; F245-F249 HydrophobicContact CE1-CD2 4.15Å; F245-F249 HydrophobicContact CE1-CG 4.16Å; F245-F249 HydrophobicContact CZ-CB 4.19Å; F245-F249 AromaticContact CZ-CD2 3.76Å; F245-F249 HydrophobicContact CZ-CD2 3.76Å; F245-F249 HydrophobicContact CZ-CG 4.22Å; F245-F249 WeakPolarHBondContact O-CB 3.26Å; F245-F249 PolarHBondContact O-N 3.4Å; F245-F263 HydrophobicContact CE1-CD2 4.19Å; F245-F263 AromaticContact CE1-CE2 3.51Å; F245-F263 HydrophobicContact CE1-CE2 3.51Å; F245-F263 AromaticContact CE1-CZ 3.92Å; F245-F263 HydrophobicContact CE1-CZ 3.92Å; F245-F263 HydrophobicContact CE2-CE2 4.06Å; F245-F263 AromaticContact CZ-CD2 3.69Å; F245-F263 HydrophobicContact CZ-CD2 3.69Å; F245-F263 AromaticContact CZ-CE2 3.19Å; F245-F263 HydrophobicContact CZ-CE2 3.19Å; F245-F263 HydrophobicContact CZ-CZ 4.06Å |
| 246 | D | 97.5 | Very high | 95 | Very high | 1 Ų | 1 | 3.6 Ų | 3.6 | 1% | 0.005 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 179.2 | -73.5 | 1.9 | 0 | 0 | 0 | 109.9 | F180 N194 F238 T241 T242 P243 A248 F249 L250 | F180-D246 HydrophobicContact CE1-CB 3.66Å; F180-D246 HydrophobicContact CZ-CB 4.05Å; N194-D246 PolarHBondContact ND2-OD2 3.25Å; F238-D246 WeakPolarHBondContact CD2-OD1 3.34Å; T241-D246 WeakPolarHBondContact CB-OD1 3.43Å; T241-D246 PolarHBondContact OG1-OD1 2.99Å; T242-D246 PolarHBondContact O-N 2.51Å; T242-D246 VanDerWaalsContact O-N 3.1Å; P243-D246 PolarHBondContact O-N 2.93Å; D246-A248 PolarHBondContact O-N 3.12Å; D246-F249 PolarHBondContact O-N 2.86Å; D246-L250 WeakPolarHBondContact O-CB 3.23Å; D246-L250 WeakPolarHBondContact O-CG 3.37Å; D246-L250 PolarHBondContact O-N 3.49Å |
| 247 | M | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 179.5 | -71.9 | -68.1 | -71.1 | 0 | 0 | 112.7 | F119 V123 M129 F154 W158 F159 F176 F180 P243 F245 T251 | F119-M247 HydrophobicContact CZ-CG 4.29Å; V123-M247 HydrophobicContact CG1-CB 4.33Å; M129-M247 HydrophobicContact CE-CB 4.21Å; F154-M247 HydrophobicContact CE1-CE 3.43Å; F154-M247 VanDerWaalsContact CE1-CE 3.43Å; F154-M247 HydrophobicContact CE2-CE 4.4Å; F154-M247 HydrophobicContact CZ-CB 4.12Å; F154-M247 HydrophobicContact CZ-CE 3.33Å; W158-M247 HydrophobicContact CB-CE 4.01Å; W158-M247 VanDerWaalsContact CD1-CE 3.45Å; W158-M247 HydrophobicContact CD2-CE 3.63Å; W158-M247 HydrophobicContact CD2-SD 4.09Å; W158-M247 HydrophobicContact CE3-CE 4.38Å; W158-M247 HydrophobicContact CE3-SD 4.36Å; W158-M247 HydrophobicContact CG-CE 3.42Å; W158-M247 VanDerWaalsContact CG-CE 3.42Å; W158-M247 HydrophobicContact CG-SD 4.47Å; W158-M247 HydrophobicContact CZ2-SD 4.39Å; F159-M247 HydrophobicContact CE2-CE 4.46Å; F176-M247 HydrophobicContact CD2-SD 4.33Å; F180-M247 HydrophobicContact CD2-SD 4.25Å; F180-M247 HydrophobicContact CE1-CG 4.37Å; F180-M247 HydrophobicContact CE1-SD 4.22Å; F180-M247 HydrophobicContact CE2-CG 4.42Å; F180-M247 HydrophobicContact CE2-SD 3.31Å; F180-M247 WeakPolarHBondContact CE2-SD 3.21Å; F180-M247 HydrophobicContact CZ-CG 3.81Å; F180-M247 HydrophobicContact CZ-SD 3.29Å; F180-M247 WeakPolarHBondContact CZ-SD 3.37Å; P243-M247 WeakPolarHBondContact O-CB 3.49Å; P243-M247 WeakPolarHBondContact O-CG 3.5Å; P243-M247 PolarHBondContact O-N 3.2Å; F245-M247 VanDerWaalsContact C-N 3.33Å; F245-M247 PolarHBondContact O-N 3.33Å; M247-T251 WeakPolarHBondContact O-CB 3.38Å; M247-T251 PolarHBondContact O-N 2.84Å; M247-T251 PolarHBondContact O-OG1 2.79Å |
| 248 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M41 V128 M129 M132 E244 F245 D246 M252 | M41-A248 HydrophobicContact CE-CB 3.46Å; M41-A248 VanDerWaalsContact CE-CB 3.46Å; V128-A248 HydrophobicContact CG1-CB 3.99Å; M129-A248 HydrophobicContact CE-CB 3.81Å; M129-A248 HydrophobicContact SD-CB 4.15Å; M132-A248 HydrophobicContact CB-CB 4.26Å; M132-A248 VanDerWaalsContact SD-CA 3.59Å; M132-A248 HydrophobicContact SD-CB 3.89Å; E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.96Å; F245-A248 PolarHBondContact O-N 2.84Å; D246-A248 PolarHBondContact O-N 3.12Å; A248-M252 WeakPolarHBondContact O-CB 3.11Å; A248-M252 PolarHBondContact O-N 3.47Å |
| 249 | F | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | -178.9 | -177.6 | -79.3 | 0 | 0 | 0 | 111.3 | V38 M41 F238 F245 D246 S253 V261 L268 M270 | V38-F249 HydrophobicContact CB-CE2 4.31Å; V38-F249 HydrophobicContact CG1-CD2 4.13Å; V38-F249 HydrophobicContact CG1-CE2 3.67Å; V38-F249 HydrophobicContact CG2-CD2 3.92Å; V38-F249 HydrophobicContact CG2-CE2 3.6Å; M41-F249 HydrophobicContact CE-CB 4.14Å; F238-F249 HydrophobicContact CE1-CE1 4.4Å; F238-F249 AromaticContact CE2-CD1 3.83Å; F238-F249 HydrophobicContact CE2-CD1 3.83Å; F238-F249 HydrophobicContact CE2-CE1 4.16Å; F238-F249 AromaticContact CZ-CD1 3.61Å; F238-F249 HydrophobicContact CZ-CD1 3.61Å; F238-F249 AromaticContact CZ-CE1 3.48Å; F238-F249 HydrophobicContact CZ-CE1 3.48Å; F238-F249 VanDerWaalsContact CZ-CE1 3.48Å; F238-F249 HydrophobicContact CZ-CG 4.37Å; F238-F249 HydrophobicContact CZ-CZ 4.11Å; F245-F249 HydrophobicContact CD1-CB 4.4Å; F245-F249 HydrophobicContact CE1-CB 3.99Å; F245-F249 HydrophobicContact CE1-CD2 4.15Å; F245-F249 HydrophobicContact CE1-CG 4.16Å; F245-F249 HydrophobicContact CZ-CB 4.19Å; F245-F249 AromaticContact CZ-CD2 3.76Å; F245-F249 HydrophobicContact CZ-CD2 3.76Å; F245-F249 HydrophobicContact CZ-CG 4.22Å; F245-F249 WeakPolarHBondContact O-CB 3.26Å; F245-F249 PolarHBondContact O-N 3.4Å; D246-F249 PolarHBondContact O-N 2.86Å; F249-S253 WeakPolarHBondContact CE1-OG 3.23Å; F249-S253 VanDerWaalsContact O-CB 3.32Å; F249-S253 WeakPolarHBondContact O-CB 3.38Å; F249-S253 PolarHBondContact O-N 2.8Å; F249-S253 PolarHBondContact O-OG 2.76Å; F249-V261 HydrophobicContact CE2-CG1 3.82Å; F249-V261 HydrophobicContact CZ-CB 4.15Å; F249-V261 HydrophobicContact CZ-CG1 3.69Å; F249-L268 HydrophobicContact CZ-CD1 4.42Å; F249-M270 HydrophobicContact CD1-CE 4.47Å; F249-M270 HydrophobicContact CE1-CE 3.96Å; F249-M270 HydrophobicContact CE1-SD 3.65Å; F249-M270 HydrophobicContact CZ-SD 4.34Å |
| 250 | L | 96 | Very high | 93 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.3 | -40.7 | -179.7 | -66.5 | 176.5 | 0 | 0 | 0 | 111.6 | W158 V179 F180 F238 D246 S253 Y254 M270 V286 | W158-L250 HydrophobicContact CH2-CB 3.92Å; W158-L250 HydrophobicContact CH2-CD1 4.29Å; W158-L250 HydrophobicContact CZ2-CB 4.04Å; V179-L250 HydrophobicContact CG1-CD1 3.84Å; F180-L250 HydrophobicContact CE2-CD1 4.41Å; F180-L250 HydrophobicContact CZ-CD1 3.99Å; F238-L250 HydrophobicContact CE2-CD2 4.12Å; D246-L250 WeakPolarHBondContact O-CB 3.23Å; D246-L250 WeakPolarHBondContact O-CG 3.37Å; D246-L250 PolarHBondContact O-N 3.49Å; L250-S253 PolarHBondContact O-N 2.65Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.4Å; L250-M270 HydrophobicContact CD2-CE 3.57Å; L250-V286 HydrophobicContact CB-CG1 3.91Å; L250-V286 HydrophobicContact CB-CG2 4.42Å; L250-V286 HydrophobicContact CD2-CG2 4.16Å |
| 251 | T | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | M132 W153 F154 L157 W158 M247 S253 Y254 L255 | M132-T251 HydrophobicContact CE-CG2 4.08Å; M132-T251 HydrophobicContact SD-CG2 4.19Å; W153-T251 HydrophobicContact CH2-CG2 3.98Å; W153-T251 HydrophobicContact CZ3-CG2 4.39Å; F154-T251 HydrophobicContact CD2-CG2 4.49Å; F154-T251 HydrophobicContact CE2-CG2 4.35Å; F154-T251 WeakPolarHBondContact CE2-OG1 3.39Å; L157-T251 HydrophobicContact CD2-CG2 4.06Å; W158-T251 PolarHBondContact NE1-OG1 2.9Å; M247-T251 WeakPolarHBondContact O-CB 3.38Å; M247-T251 PolarHBondContact O-N 2.84Å; M247-T251 PolarHBondContact O-OG1 2.79Å; T251-S253 VanDerWaalsContact C-N 3.31Å; T251-S253 PolarHBondContact O-N 3.21Å; T251-Y254 PolarHBondContact O-N 3Å; T251-L255 HydrophobicContact CG2-CD1 4.16Å; T251-L255 HydrophobicContact CG2-CG 4.44Å; T251-L255 WeakPolarHBondContact O-CG 3.48Å; T251-L255 PolarHBondContact O-N 2.97Å |
| 252 | M | 91.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 177.4 | 178 | 175.2 | 43.8 | 0 | 0 | 112.1 | V38 M41 M132 L135 A248 Y254 L255 V256 | V38-M252 HydrophobicContact CG2-CE 3.9Å; M41-M252 HydrophobicContact CE-CE 4.28Å; M41-M252 HydrophobicContact SD-CE 3.4Å; M41-M252 WeakPolarHBondContact SD-CE 3.44Å; M132-M252 HydrophobicContact SD-CB 4.43Å; L135-M252 HydrophobicContact CD2-SD 3.6Å; A248-M252 WeakPolarHBondContact O-CB 3.11Å; A248-M252 PolarHBondContact O-N 3.47Å; M252-Y254 VanDerWaalsContact C-N 3.33Å; M252-Y254 PolarHBondContact O-N 2.78Å; M252-L255 PolarHBondContact O-N 3.43Å; M252-V256 HydrophobicContact CG-CG2 4.11Å; M252-V256 WeakPolarHBondContact O-CB 3.36Å; M252-V256 WeakPolarHBondContact O-CG2 3.31Å; M252-V256 PolarHBondContact O-N 3.34Å |
| 253 | S | 91.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.028 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.2 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | F249 L250 T251 H257 P258 | F249-S253 WeakPolarHBondContact CE1-OG 3.23Å; F249-S253 VanDerWaalsContact O-CB 3.32Å; F249-S253 WeakPolarHBondContact O-CB 3.38Å; F249-S253 PolarHBondContact O-N 2.8Å; F249-S253 PolarHBondContact O-OG 2.76Å; L250-S253 PolarHBondContact O-N 2.65Å; T251-S253 VanDerWaalsContact C-N 3.31Å; T251-S253 PolarHBondContact O-N 3.21Å; S253-H257 WeakPolarHBondContact O-CA 3.09Å; S253-H257 PolarHBondContact O-N 3.04Å; S253-P258 WeakPolarHBondContact O-CD 3.32Å |
| 254 | Y | 91.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 175.7 | 178.9 | -117.3 | 0 | 0 | 0 | 112.6 | R23 L157 L250 T251 M252 H257 W272 D274 L283 | R23-Y254 PolarHBondContact NH2-OH 2.85Å; L157-Y254 HydrophobicContact CD1-CD1 4.09Å; L157-Y254 HydrophobicContact CD1-CE1 3.79Å; L157-Y254 HydrophobicContact CD2-CD1 4.48Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.4Å; T251-Y254 PolarHBondContact O-N 3Å; M252-Y254 VanDerWaalsContact C-N 3.33Å; M252-Y254 PolarHBondContact O-N 2.78Å; Y254-H257 PolarHBondContact O-CD2 3.09Å; Y254-H257 PolarHBondContact O-NE2 3.47Å; Y254-W272 HydrophobicContact CD2-CB 3.87Å; Y254-W272 HydrophobicContact CD2-CG 4.09Å; Y254-W272 HydrophobicContact CE2-CB 4.4Å; Y254-D274 WeakPolarHBondContact CE2-OD1 3.44Å; Y254-D274 VanDerWaalsContact CZ-OD1 3.3Å; Y254-D274 PolarHBondContact OH-OD1 3.34Å; Y254-L283 HydrophobicContact CD1-CD1 4.26Å; Y254-L283 HydrophobicContact CD1-CD2 4.41Å; Y254-L283 HydrophobicContact CD2-CD1 3.66Å; Y254-L283 HydrophobicContact CE1-CB 4.36Å; Y254-L283 HydrophobicContact CE1-CD1 4.22Å; Y254-L283 HydrophobicContact CE2-CD1 3.6Å; Y254-L283 HydrophobicContact CG-CD1 3.98Å |
| 255 | L | 89.5 | Confident | 92.2 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -74.5 | -35.4 | 178.1 | -67.1 | 179 | 0 | 0 | 0 | 113.2 | V22 L26 L136 W153 T251 M252 | V22-L255 HydrophobicContact CB-CD2 4.47Å; V22-L255 HydrophobicContact CG1-CD1 3.91Å; V22-L255 HydrophobicContact CG1-CD2 3.75Å; V22-L255 HydrophobicContact CG1-CG 4.35Å; L26-L255 HydrophobicContact CD1-CB 3.56Å; L26-L255 HydrophobicContact CD1-CD1 3.81Å; L26-L255 HydrophobicContact CD1-CG 4.28Å; L136-L255 HydrophobicContact CD2-CD1 4.04Å; W153-L255 HydrophobicContact CH2-CD1 4Å; W153-L255 HydrophobicContact CH2-CD2 4.23Å; W153-L255 HydrophobicContact CZ2-CD2 4.01Å; T251-L255 HydrophobicContact CG2-CD1 4.16Å; T251-L255 HydrophobicContact CG2-CG 4.44Å; T251-L255 WeakPolarHBondContact O-CG 3.48Å; T251-L255 PolarHBondContact O-N 2.97Å; M252-L255 PolarHBondContact O-N 3.43Å |
| 256 | V | 87.4 | Confident | 92 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -94.7 | -25.5 | -172 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | L26 L29 I34 M252 | L26-V256 HydrophobicContact CB-CG2 4.01Å; L26-V256 HydrophobicContact CD1-CG2 4.45Å; L26-V256 HydrophobicContact CD2-CG2 4.38Å; L29-V256 HydrophobicContact CB-CG1 4.01Å; L29-V256 HydrophobicContact CD1-CG1 4.34Å; L29-V256 HydrophobicContact CD1-CG2 3.89Å; I34-V256 HydrophobicContact CD1-CB 4.48Å; I34-V256 HydrophobicContact CD1-CG1 3.38Å; I34-V256 HydrophobicContact CG1-CG1 4.18Å; M252-V256 HydrophobicContact CG-CG2 4.11Å; M252-V256 WeakPolarHBondContact O-CB 3.36Å; M252-V256 WeakPolarHBondContact O-CG2 3.31Å; M252-V256 PolarHBondContact O-N 3.34Å |
| 257 | H | 86.4 | Confident | 91.8 | Very high | 41 Ų | 41 | 22.2 Ų | 22.2 | 19% | 0.19 | 11% | 0.114 | C | C | . | . | trans | 53.1 | 53 | -173.1 | -66.7 | 177.2 | 0 | 0 | 0 | 113.9 | R23 S253 Y254 T259 W272 | R23-H257 PolarHBondContact NE-CE1 3.05Å; S253-H257 WeakPolarHBondContact O-CA 3.09Å; S253-H257 PolarHBondContact O-N 3.04Å; Y254-H257 PolarHBondContact O-CD2 3.09Å; Y254-H257 PolarHBondContact O-NE2 3.47Å; H257-T259 PolarHBondContact O-N 2.94Å; H257-W272 VanDerWaalsContact CA-CH2 3.47Å; H257-W272 HydrophobicContact CB-CH2 3.47Å; H257-W272 VanDerWaalsContact CB-CH2 3.47Å; H257-W272 HydrophobicContact CB-CZ2 3.36Å; H257-W272 HydrophobicContact CB-CZ3 4.32Å; H257-W272 AromaticContact CD2-CD1 3.99Å; H257-W272 AromaticContact CD2-CD2 3.69Å; H257-W272 AromaticContact CD2-CE2 3.23Å; H257-W272 AromaticContact CD2-CZ2 3.46Å; H257-W272 VanDerWaalsContact CD2-CZ2 3.46Å; H257-W272 WeakPolarHBondContact CD2-CZ2 3.42Å; H257-W272 AromaticContact CD2-NE1 3.44Å; H257-W272 PolarHBondContact CD2-NE1 3.21Å; H257-W272 AromaticContact CE1-CE2 3.78Å; H257-W272 AromaticContact CE1-NE1 3.29Å; H257-W272 PolarHBondContact CE1-NE1 3.38Å; H257-W272 VanDerWaalsContact CE1-NE1 3.29Å; H257-W272 AromaticContact CG-CE2 3.5Å; H257-W272 VanDerWaalsContact CG-CE2 3.5Å; H257-W272 AromaticContact CG-CH2 3.81Å; H257-W272 AromaticContact CG-CZ2 3.21Å; H257-W272 AromaticContact CG-NE1 3.84Å; H257-W272 AromaticContact ND1-CE2 3.82Å; H257-W272 AromaticContact ND1-CZ2 3.65Å; H257-W272 AromaticContact ND1-NE1 3.74Å; H257-W272 AromaticContact NE2-CD1 3.47Å; H257-W272 AromaticContact NE2-CD2 3.99Å; H257-W272 AromaticContact NE2-CE2 3.45Å; H257-W272 AromaticContact NE2-NE1 3.07Å; H257-W272 PolarHBondContact NE2-NE1 3.22Å | ||
| 258 | P | 86.2 | Confident | 91.5 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | trans | -66.1 | 134.9 | -179.8 | 28.8 | -32.2 | 0 | 0 | 0 | 111.2 | I34 S253 K260 V261 M270 | I34-P258 HydrophobicContact CD1-CB 3.88Å; S253-P258 WeakPolarHBondContact O-CD 3.32Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å; P258-V261 HydrophobicContact CB-CG2 3.53Å; P258-V261 HydrophobicContact CG-CG2 3.34Å; P258-M270 HydrophobicContact CG-CG 4.22Å | ||
| 259 | T | 81.8 | Confident | 91.4 | Very high | 108 Ų | 108 | 29 Ų | 29 | 66% | 0.663 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -62.5 | -33.9 | 175.1 | 57 | 0 | 0 | 0 | 0 | 112.7 | H257 | H257-T259 PolarHBondContact O-N 2.94Š|
| 260 | K | 88.5 | Confident | 91.2 | Very high | 97 Ų | 97 | 29.6 Ų | 29.6 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | trans | -156.5 | 149 | 173.9 | 61.9 | -176.3 | -179.3 | -176.7 | 0 | 109.9 | T31 P258 W267 L268 | T31-K260 HydrophobicContact CG2-CG 4.24Å; T31-K260 WeakPolarHBondContact CG2-O 3.3Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å; K260-W267 HydrophobicContact CB-CE3 4.16Å; K260-W267 HydrophobicContact CD-CD2 4.46Å; K260-W267 HydrophobicContact CD-CE3 3.73Å; K260-W267 HydrophobicContact CD-CZ3 3.8Å; K260-W267 HydrophobicContact CG-CE3 3.86Å; K260-W267 HydrophobicContact CG-CZ3 3.81Å; K260-L268 WeakPolarHBondContact CA-O 3.42Å | ||
| 261 | V | 93 | Very high | 91 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.3 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | I34 V38 F249 P258 L268 M270 | I34-V261 HydrophobicContact CG2-CG1 4.33Å; I34-V261 HydrophobicContact CG2-CG2 4.14Å; V38-V261 HydrophobicContact CB-CG1 4.45Å; V38-V261 HydrophobicContact CG1-CG1 4.38Å; V38-V261 HydrophobicContact CG2-CG1 3.84Å; F249-V261 HydrophobicContact CE2-CG1 3.82Å; F249-V261 HydrophobicContact CZ-CB 4.15Å; F249-V261 HydrophobicContact CZ-CG1 3.69Å; P258-V261 HydrophobicContact CB-CG2 3.53Å; P258-V261 HydrophobicContact CG-CG2 3.34Å; V261-L268 PolarHBondContact N-O 3.42Å; V261-L268 PolarHBondContact O-N 3.26Å; V261-M270 HydrophobicContact CG2-CG 4.32Å |
| 262 | K | 92.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 33 Ų | 33 | 24% | 0.235 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.5 | 172 | -169.6 | -177.3 | -65.5 | -177.2 | 0 | 108.6 | N35 V38 C266 W267 D295 | N35-K262 PolarHBondContact OD1-N 3.46Å; V38-K262 WeakPolarHBondContact CG1-O 3.39Å; K262-C266 CarbonylContact C-O 3.56Å; K262-C266 WeakPolarHBondContact CA-O 3.41Å; K262-W267 HydrophobicContact CB-CD2 4.48Å; K262-W267 HydrophobicContact CB-CE3 4.22Å; K262-W267 HydrophobicContact CB-CZ3 4.23Å; K262-D295 WeakPolarHBondContact CD-OD2 3.33Å; K262-D295 WeakPolarHBondContact CE-OD2 3.43Å; K262-D295 IonicContact NZ-OD1 2.86Å; K262-D295 PolarHBondContact NZ-OD1 3.16Å; K262-D295 IonicContact NZ-OD2 2.69Å; K262-D295 PolarHBondContact NZ-OD2 3.2Å |
| 263 | F | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.8 | 173.1 | 177.9 | -120.5 | 0 | 0 | 0 | 109.4 | V38 E42 T219 Y220 F238 T241 F245 G265 C266 L268 | V38-F263 HydrophobicContact CG1-CD2 4.48Å; E42-F263 HydrophobicContact CG-CD2 3.74Å; E42-F263 HydrophobicContact CG-CE2 3.63Å; E42-F263 VanDerWaalsContact OE1-CA 3.23Å; E42-F263 WeakPolarHBondContact OE1-CA 3.22Å; E42-F263 VanDerWaalsContact OE1-CD2 3.23Å; E42-F263 WeakPolarHBondContact OE1-CD2 3.23Å; T219-F263 HydrophobicContact CG2-CD1 3.58Å; T219-F263 HydrophobicContact CG2-CE1 3.97Å; T219-F263 HydrophobicContact CG2-CG 4.47Å; T219-F263 WeakPolarHBondContact CG2-O 3.27Å; T219-F263 VanDerWaalsContact O-CE1 3.3Å; T219-F263 WeakPolarHBondContact O-CE1 3.34Å; Y220-F263 HydrophobicContact CD1-CD1 4.26Å; F238-F263 HydrophobicContact CB-CE1 4.43Å; F238-F263 AromaticContact CD1-CD1 3.57Å; F238-F263 HydrophobicContact CD1-CD1 3.57Å; F238-F263 AromaticContact CD1-CE1 3.44Å; F238-F263 HydrophobicContact CD1-CE1 3.44Å; F238-F263 VanDerWaalsContact CD1-CE1 3.44Å; F238-F263 HydrophobicContact CD1-CG 4.36Å; F238-F263 HydrophobicContact CD1-CZ 4.15Å; F238-F263 AromaticContact CE1-CD1 3.73Å; F238-F263 HydrophobicContact CE1-CD1 3.73Å; F238-F263 HydrophobicContact CE1-CE1 4.05Å; F238-F263 HydrophobicContact CE1-CG 4.14Å; F238-F263 HydrophobicContact CG-CE1 4.26Å; T241-F263 HydrophobicContact CG2-CE1 4.36Å; T241-F263 HydrophobicContact CG2-CE2 4.39Å; T241-F263 HydrophobicContact CG2-CZ 3.59Å; F245-F263 HydrophobicContact CE1-CD2 4.19Å; F245-F263 AromaticContact CE1-CE2 3.51Å; F245-F263 HydrophobicContact CE1-CE2 3.51Å; F245-F263 AromaticContact CE1-CZ 3.92Å; F245-F263 HydrophobicContact CE1-CZ 3.92Å; F245-F263 HydrophobicContact CE2-CE2 4.06Å; F245-F263 AromaticContact CZ-CD2 3.69Å; F245-F263 HydrophobicContact CZ-CD2 3.69Å; F245-F263 AromaticContact CZ-CE2 3.19Å; F245-F263 HydrophobicContact CZ-CE2 3.19Å; F245-F263 HydrophobicContact CZ-CZ 4.06Å; F263-G265 PolarHBondContact O-N 3.46Å; F263-C266 PolarHBondContact N-O 2.55Å; F263-C266 PolarHBondContact O-N 3.39Å; F263-L268 HydrophobicContact CB-CD2 3.57Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; F263-L268 HydrophobicContact CG-CD2 4.38Å |
| 264 | R | 92.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 45.2 | -176.6 | -60.6 | 178.1 | 173.5 | 161.3 | 6.7 | 113 | E42 D45 G218 T219 L239 K240 C266 | E42-R264 HydrophobicContact CG-CG 4.3Å; E42-R264 PolarHBondContact OE1-N 3.25Å; E42-R264 VanDerWaalsContact OE2-CA 3.22Å; E42-R264 WeakPolarHBondContact OE2-CA 3.23Å; E42-R264 VanDerWaalsContact OE2-CG 3.23Å; E42-R264 WeakPolarHBondContact OE2-CG 3.4Å; E42-R264 PolarHBondContact OE2-N 3.09Å; E42-R264 VanDerWaalsContact OE2-N 3.08Å; D45-R264 IonicContact OD2-NH2 3.28Å; G218-R264 VanDerWaalsContact O-CD 3.32Å; G218-R264 WeakPolarHBondContact O-CD 3.12Å; G218-R264 PolarHBondContact O-NH1 2.81Å; T219-R264 HydrophobicContact CG2-CB 3.85Å; L239-R264 PolarHBondContact O-NH1 3.08Å; K240-R264 PolarHBondContact O-NH1 3.46Å; K240-R264 PolarHBondContact O-NH2 3.02Å; R264-C266 VanDerWaalsContact C-N 3.27Å; R264-C266 PolarHBondContact O-N 2.92Å |
| 265 | G | 92.2 | Very high | 91.5 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -2.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | F263 C294 D295 | F263-G265 PolarHBondContact O-N 3.46Å; G265-C294 CarbonylContact O-C 3.57Å; G265-C294 VanDerWaalsContact O-CA 3.3Å; G265-C294 WeakPolarHBondContact O-CA 3.1Å; G265-C294 WeakPolarHBondContact O-CB 3.35Å; G265-D295 PolarHBondContact O-N 3.32Å |
| 266 | C | 94.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.9 | -177.7 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | T219 Y220 K262 F263 R264 C294 | T219-C266 HydrophobicContact CG2-CB 4.26Å; Y220-C266 HydrophobicContact CE1-CB 3.71Å; Y220-C266 WeakPolarHBondContact OH-CB 3.46Å; K262-C266 CarbonylContact C-O 3.56Å; K262-C266 WeakPolarHBondContact CA-O 3.41Å; F263-C266 PolarHBondContact N-O 2.55Å; F263-C266 PolarHBondContact O-N 3.39Å; R264-C266 VanDerWaalsContact C-N 3.27Å; R264-C266 PolarHBondContact O-N 2.92Å; C266-C294 HydrophobicContact CB-CB 3.97Å; C266-C294 WeakPolarHBondContact CB-SG 3.49Å; C266-C294 WeakPolarHBondContact SG-CB 3.4Å; C266-C294 CovalentContact SG-SG 2.04Å; C266-C294 PolarHBondContact SG-SG 2.94Å |
| 267 | W | 92.8 | Very high | 92 | Very high | 51 Ų | 51 | 49 Ų | 49 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.4 | 177.5 | -67.4 | 95.8 | 0 | 0 | 0 | 110.7 | T31 Y220 K260 K262 K293 | T31-W267 HydrophobicContact CG2-CZ3 4.18Å; Y220-W267 PolarHBondContact OH-O 3.34Å; K260-W267 HydrophobicContact CB-CE3 4.16Å; K260-W267 HydrophobicContact CD-CD2 4.46Å; K260-W267 HydrophobicContact CD-CE3 3.73Å; K260-W267 HydrophobicContact CD-CZ3 3.8Å; K260-W267 HydrophobicContact CG-CE3 3.86Å; K260-W267 HydrophobicContact CG-CZ3 3.81Å; K262-W267 HydrophobicContact CB-CD2 4.48Å; K262-W267 HydrophobicContact CB-CE3 4.22Å; K262-W267 HydrophobicContact CB-CZ3 4.23Å; W267-K293 PolarHBondContact N-O 2.77Å |
| 268 | L | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153 | 170.8 | 62.7 | 90.2 | 0 | 0 | 0 | 110.3 | Y220 F238 F249 K260 V261 F263 M270 P288 | Y220-L268 HydrophobicContact CD1-CD2 3.76Å; Y220-L268 HydrophobicContact CE1-CB 4.13Å; Y220-L268 HydrophobicContact CE1-CD2 3.84Å; F238-L268 HydrophobicContact CE1-CD2 3.74Å; F238-L268 HydrophobicContact CZ-CD2 4.45Å; F249-L268 HydrophobicContact CZ-CD1 4.42Å; K260-L268 WeakPolarHBondContact CA-O 3.42Å; V261-L268 PolarHBondContact N-O 3.42Å; V261-L268 PolarHBondContact O-N 3.26Å; F263-L268 HydrophobicContact CB-CD2 3.57Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; F263-L268 HydrophobicContact CG-CD2 4.38Å; L268-M270 HydrophobicContact CD1-CG 4.15Å; L268-M270 HydrophobicContact CD1-SD 3.25Å; L268-M270 WeakPolarHBondContact CD1-SD 3.3Å; L268-P288 HydrophobicContact CD1-CB 4.06Å; L268-P288 HydrophobicContact CD2-CB 4.36Å |
| 269 | K | 93.2 | Very high | 92.4 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 153.4 | 167.9 | -67.2 | -176.9 | 177.8 | -177.2 | 0 | 108.3 | K289 | K269-K289 HydrophobicContact CB-CB 4.13Å; K269-K289 PolarHBondContact N-O 2.97Å; K269-K289 VanDerWaalsContact N-O 3.08Å; K269-K289 PolarHBondContact O-N 2.69Å |
| 270 | M | 91.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.069 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.8 | 167.4 | -64.7 | -52.2 | -62.4 | 0 | 0 | 109.3 | F249 L250 P258 V261 L268 W272 V286 F287 P288 | F249-M270 HydrophobicContact CD1-CE 4.47Å; F249-M270 HydrophobicContact CE1-CE 3.96Å; F249-M270 HydrophobicContact CE1-SD 3.65Å; F249-M270 HydrophobicContact CZ-SD 4.34Å; L250-M270 HydrophobicContact CD2-CE 3.57Å; P258-M270 HydrophobicContact CG-CG 4.22Å; V261-M270 HydrophobicContact CG2-CG 4.32Å; L268-M270 HydrophobicContact CD1-CG 4.15Å; L268-M270 HydrophobicContact CD1-SD 3.25Å; L268-M270 WeakPolarHBondContact CD1-SD 3.3Å; M270-W272 HydrophobicContact CB-CE3 4.11Å; M270-W272 HydrophobicContact CB-CZ3 3.93Å; M270-V286 HydrophobicContact CE-CG2 4.16Å; M270-F287 WeakPolarHBondContact CE-O 3.35Å; M270-P288 HydrophobicContact SD-CB 4.24Å |
| 271 | A | 92.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y273 V286 F287 K289 | A271-Y273 HydrophobicContact CB-CE2 4.33Å; A271-V286 CarbonylContact O-C 3.6Å; A271-V286 VanDerWaalsContact O-CA 3.28Å; A271-V286 WeakPolarHBondContact O-CA 3.42Å; A271-F287 HydrophobicContact CB-CD1 4.45Å; A271-F287 HydrophobicContact CB-CE1 4Å; A271-F287 HydrophobicContact CB-CE2 4.22Å; A271-F287 HydrophobicContact CB-CZ 3.88Å; A271-F287 PolarHBondContact N-O 2.99Å; A271-F287 PolarHBondContact O-N 2.79Å; A271-K289 HydrophobicContact CB-CD 3.77Å; A271-K289 HydrophobicContact CB-CG 4.07Å |
| 272 | W | 93.3 | Very high | 93.3 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153 | 175.3 | 58.1 | 89.9 | 0 | 0 | 0 | 108.2 | Y254 H257 M270 T285 V286 | Y254-W272 HydrophobicContact CD2-CB 3.87Å; Y254-W272 HydrophobicContact CD2-CG 4.09Å; Y254-W272 HydrophobicContact CE2-CB 4.4Å; H257-W272 VanDerWaalsContact CA-CH2 3.47Å; H257-W272 HydrophobicContact CB-CH2 3.47Å; H257-W272 VanDerWaalsContact CB-CH2 3.47Å; H257-W272 HydrophobicContact CB-CZ2 3.36Å; H257-W272 HydrophobicContact CB-CZ3 4.32Å; H257-W272 AromaticContact CD2-CD1 3.99Å; H257-W272 AromaticContact CD2-CD2 3.69Å; H257-W272 AromaticContact CD2-CE2 3.23Å; H257-W272 AromaticContact CD2-CZ2 3.46Å; H257-W272 VanDerWaalsContact CD2-CZ2 3.46Å; H257-W272 WeakPolarHBondContact CD2-CZ2 3.42Å; H257-W272 AromaticContact CD2-NE1 3.44Å; H257-W272 PolarHBondContact CD2-NE1 3.21Å; H257-W272 AromaticContact CE1-CE2 3.78Å; H257-W272 AromaticContact CE1-NE1 3.29Å; H257-W272 PolarHBondContact CE1-NE1 3.38Å; H257-W272 VanDerWaalsContact CE1-NE1 3.29Å; H257-W272 AromaticContact CG-CE2 3.5Å; H257-W272 VanDerWaalsContact CG-CE2 3.5Å; H257-W272 AromaticContact CG-CH2 3.81Å; H257-W272 AromaticContact CG-CZ2 3.21Å; H257-W272 AromaticContact CG-NE1 3.84Å; H257-W272 AromaticContact ND1-CE2 3.82Å; H257-W272 AromaticContact ND1-CZ2 3.65Å; H257-W272 AromaticContact ND1-NE1 3.74Å; H257-W272 AromaticContact NE2-CD1 3.47Å; H257-W272 AromaticContact NE2-CD2 3.99Å; H257-W272 AromaticContact NE2-CE2 3.45Å; H257-W272 AromaticContact NE2-NE1 3.07Å; H257-W272 PolarHBondContact NE2-NE1 3.22Å; M270-W272 HydrophobicContact CB-CE3 4.11Å; M270-W272 HydrophobicContact CB-CZ3 3.93Å; W272-T285 CarbonylContact C-O 3.58Å; W272-T285 WeakPolarHBondContact CA-O 3.43Å; W272-V286 HydrophobicContact CB-CB 4.17Å; W272-V286 HydrophobicContact CB-CG2 4.21Å |
| 273 | Y | 95.2 | Very high | 93.4 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.7 | 174.7 | -59.7 | -95.4 | 0 | 0 | 0 | 108.1 | A271 S284 T285 F287 | A271-Y273 HydrophobicContact CB-CE2 4.33Å; Y273-S284 WeakPolarHBondContact O-CA 3.33Å; Y273-S284 WeakPolarHBondContact O-CB 3.45Å; Y273-S284 PolarHBondContact O-N 3.08Å; Y273-T285 HydrophobicContact CD2-CG2 3.48Å; Y273-T285 VanDerWaalsContact CD2-CG2 3.48Å; Y273-T285 HydrophobicContact CE2-CG2 4.41Å; Y273-T285 HydrophobicContact CG-CG2 4.22Å; Y273-T285 PolarHBondContact N-O 2.76Å; Y273-T285 PolarHBondContact O-N 2.8Å; Y273-F287 HydrophobicContact CD2-CE1 4.49Å; Y273-F287 HydrophobicContact CE2-CE1 4.14Å; Y273-F287 HydrophobicContact CE2-CZ 4.5Å |
| 274 | D | 95.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147 | 172.7 | -65.9 | -24.5 | 0 | 0 | 0 | 108.6 | R23 Y254 T281 F282 | R23-D274 IonicContact NH1-OD2 2.79Å; R23-D274 IonicContact NH2-OD1 3.4Å; R23-D274 IonicContact NH2-OD2 3.93Å; R23-D274 PolarHBondContact NH2-OD2 3.24Å; Y254-D274 WeakPolarHBondContact CE2-OD1 3.44Å; Y254-D274 VanDerWaalsContact CZ-OD1 3.3Å; Y254-D274 PolarHBondContact OH-OD1 3.34Å; D274-T281 HydrophobicContact CB-CG2 3.86Å; D274-F282 CarbonylContact C-O 3.48Å; D274-F282 WeakPolarHBondContact CA-O 3.47Å |
| 275 | L | 95.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.1 | 171.7 | -179.5 | 66.8 | 0 | 0 | 0 | 107.9 | Y162 I277 T281 F282 | Y162-L275 HydrophobicContact CD2-CD2 3.34Å; Y162-L275 HydrophobicContact CE2-CD2 3.65Å; Y162-L275 HydrophobicContact CG-CD2 3.94Å; L275-I277 HydrophobicContact CD2-CD1 3.71Å; L275-I277 HydrophobicContact CD2-CG1 4.38Å; L275-I277 HydrophobicContact CG-CD1 3.99Å; L275-I277 HydrophobicContact CG-CG1 4.14Å; L275-T281 WeakPolarHBondContact O-CA 3.32Å; L275-F282 HydrophobicContact CB-CB 4.42Å; L275-F282 PolarHBondContact N-O 2.68Å; L275-F282 PolarHBondContact O-N 3.05Å |
| 276 | H | 95.1 | Very high | 94 | Very high | 128 Ų | 128 | 55.1 Ų | 55.1 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.6 | 179.4 | -58.3 | -73.7 | 0 | 0 | 0 | 109.7 | E280 T281 | H276-E280 WeakPolarHBondContact CA-O 3.36Å; H276-T281 PolarHBondContact CE1-OG1 2.98Å; H276-T281 PolarHBondContact ND1-OG1 2.97Å |
| 277 | I | 92.9 | Very high | 94 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115.1 | 177 | -60.8 | 156.6 | 0 | 0 | 0 | 107.5 | P163 L275 N279 E280 F282 | P163-I277 HydrophobicContact CG-CD1 3.81Å; P163-I277 HydrophobicContact CG-CG2 4.47Å; L275-I277 HydrophobicContact CD2-CD1 3.71Å; L275-I277 HydrophobicContact CD2-CG1 4.38Å; L275-I277 HydrophobicContact CG-CD1 3.99Å; L275-I277 HydrophobicContact CG-CG1 4.14Å; I277-N279 PolarHBondContact O-N 2.88Å; I277-E280 PolarHBondContact N-O 3.05Å; I277-E280 PolarHBondContact O-N 2.94Å; I277-F282 HydrophobicContact CB-CE2 4.15Å; I277-F282 HydrophobicContact CD1-CD2 4.06Å; I277-F282 HydrophobicContact CD1-CE2 3.97Å; I277-F282 HydrophobicContact CG1-CE2 4.49Å |
| 278 | G | 90.7 | Very high | 94 | Very high | 78 Ų | 78 | 54 Ų | 54 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -122.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 279 | N | 91.1 | Very high | 94 | Very high | 176 Ų | 176 | 58 Ų | 58 | 94% | 0.941 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.2 | 177.6 | -67.4 | -19.1 | 0 | 0 | 0 | 113.3 | I277 | I277-N279 PolarHBondContact O-N 2.88Š|
| 280 | E | 91.2 | Very high | 93.8 | Very high | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.8 | -177.4 | -62.1 | -173.8 | 104.4 | 0 | 0 | 110.9 | H276 I277 F282 | H276-E280 WeakPolarHBondContact CA-O 3.36Å; I277-E280 PolarHBondContact N-O 3.05Å; I277-E280 PolarHBondContact O-N 2.94Å; E280-F282 HydrophobicContact CB-CD2 4.48Å; E280-F282 HydrophobicContact CB-CE1 4.44Å; E280-F282 HydrophobicContact CB-CE2 3.53Å; E280-F282 HydrophobicContact CB-CZ 3.51Å; E280-F282 HydrophobicContact CG-CZ 4.29Å |
| 281 | T | 93.7 | Very high | 93.5 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.2 | 176.1 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | D274 L275 H276 | D274-T281 HydrophobicContact CB-CG2 3.86Å; L275-T281 WeakPolarHBondContact O-CA 3.32Å; H276-T281 PolarHBondContact CE1-OG1 2.98Å; H276-T281 PolarHBondContact ND1-OG1 2.97Å |
| 282 | F | 95.8 | Very high | 93 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.3 | -179.6 | -53.3 | -84.7 | 0 | 0 | 0 | 110.1 | T160 Y162 D274 L275 I277 E280 S284 | T160-F282 HydrophobicContact CG2-CD1 3.95Å; T160-F282 HydrophobicContact CG2-CE1 3.61Å; Y162-F282 HydrophobicContact CD1-CB 3.58Å; Y162-F282 AromaticContact CD1-CD1 3.84Å; Y162-F282 HydrophobicContact CD1-CD1 3.84Å; Y162-F282 HydrophobicContact CD1-CD2 4.34Å; Y162-F282 AromaticContact CD1-CG 3.65Å; Y162-F282 HydrophobicContact CD1-CG 3.65Å; Y162-F282 HydrophobicContact CE1-CB 3.88Å; Y162-F282 HydrophobicContact CE1-CG 4.44Å; Y162-F282 HydrophobicContact CG-CB 4.34Å; Y162-F282 HydrophobicContact CG-CD2 4.42Å; Y162-F282 HydrophobicContact CG-CG 4.17Å; D274-F282 CarbonylContact C-O 3.48Å; D274-F282 WeakPolarHBondContact CA-O 3.47Å; L275-F282 HydrophobicContact CB-CB 4.42Å; L275-F282 PolarHBondContact N-O 2.68Å; L275-F282 PolarHBondContact O-N 3.05Å; I277-F282 HydrophobicContact CB-CE2 4.15Å; I277-F282 HydrophobicContact CD1-CD2 4.06Å; I277-F282 HydrophobicContact CD1-CE2 3.97Å; I277-F282 HydrophobicContact CG1-CE2 4.49Å; E280-F282 HydrophobicContact CB-CD2 4.48Å; E280-F282 HydrophobicContact CB-CE1 4.44Å; E280-F282 HydrophobicContact CB-CE2 3.53Å; E280-F282 HydrophobicContact CB-CZ 3.51Å; E280-F282 HydrophobicContact CG-CZ 4.29Å; F282-S284 PolarHBondContact O-N 3.22Å; F282-S284 VanDerWaalsContact O-N 3.12Å |
| 283 | L | 96.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 112.3 | 164.1 | 172.6 | 61 | 0 | 0 | 0 | 108.3 | L157 W158 A175 Y254 T285 V286 | L157-L283 HydrophobicContact CD1-CB 3.66Å; L157-L283 HydrophobicContact CD1-CD2 3.79Å; L157-L283 HydrophobicContact CD1-CG 4.36Å; L157-L283 HydrophobicContact CG-CD2 4.16Å; W158-L283 HydrophobicContact CD2-CD2 4.47Å; W158-L283 HydrophobicContact CE3-CD2 4.28Å; W158-L283 HydrophobicContact CH2-CD2 4.17Å; W158-L283 HydrophobicContact CZ2-CD2 4.33Å; W158-L283 HydrophobicContact CZ3-CD2 4.12Å; A175-L283 HydrophobicContact CB-CB 4.05Å; A175-L283 HydrophobicContact CB-CD2 3.92Å; A175-L283 HydrophobicContact CB-CG 3.84Å; A175-L283 VanDerWaalsContact CB-O 3.22Å; A175-L283 WeakPolarHBondContact CB-O 3.07Å; Y254-L283 HydrophobicContact CD1-CD1 4.26Å; Y254-L283 HydrophobicContact CD1-CD2 4.41Å; Y254-L283 HydrophobicContact CD2-CD1 3.66Å; Y254-L283 HydrophobicContact CE1-CB 4.36Å; Y254-L283 HydrophobicContact CE1-CD1 4.22Å; Y254-L283 HydrophobicContact CE2-CD1 3.6Å; Y254-L283 HydrophobicContact CG-CD1 3.98Å; L283-T285 WeakPolarHBondContact CD1-O 3.49Å; L283-V286 HydrophobicContact CD1-CB 4.21Å; L283-V286 HydrophobicContact CD1-CG1 4.24Å; L283-V286 HydrophobicContact CD2-CG1 4.04Å |
| 284 | S | 96.9 | Very high | 92.7 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -45.5 | 177.4 | -162.3 | 0 | 0 | 0 | 0 | 110.9 | R164 H178 Y273 F282 | R164-S284 PolarHBondContact NH1-OG 3.44Å; R164-S284 PolarHBondContact NH2-O 3.37Å; R164-S284 PolarHBondContact NH2-OG 2.79Å; H178-S284 PolarHBondContact CD2-O 3.46Å; Y273-S284 WeakPolarHBondContact O-CA 3.33Å; Y273-S284 WeakPolarHBondContact O-CB 3.45Å; Y273-S284 PolarHBondContact O-N 3.08Å; F282-S284 PolarHBondContact O-N 3.22Å; F282-S284 VanDerWaalsContact O-N 3.12Å |
| 285 | T | 97.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 153.7 | -179.8 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | H178 W272 Y273 L283 F287 | H178-T285 WeakPolarHBondContact CD2-CB 3.37Å; H178-T285 PolarHBondContact CD2-OG1 3.26Å; H178-T285 WeakPolarHBondContact NE2-CB 3.19Å; H178-T285 PolarHBondContact NE2-OG1 3.23Å; W272-T285 CarbonylContact C-O 3.58Å; W272-T285 WeakPolarHBondContact CA-O 3.43Å; Y273-T285 HydrophobicContact CD2-CG2 3.48Å; Y273-T285 VanDerWaalsContact CD2-CG2 3.48Å; Y273-T285 HydrophobicContact CE2-CG2 4.41Å; Y273-T285 HydrophobicContact CG-CG2 4.22Å; Y273-T285 PolarHBondContact N-O 2.76Å; Y273-T285 PolarHBondContact O-N 2.8Å; L283-T285 WeakPolarHBondContact CD1-O 3.49Å; T285-F287 HydrophobicContact CG2-CD1 4.13Å; T285-F287 HydrophobicContact CG2-CE1 3.99Å |
| 286 | V | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 129.8 | 167.4 | 55.8 | 0 | 0 | 0 | 0 | 108.6 | W158 V179 L250 M270 A271 W272 L283 | W158-V286 HydrophobicContact CH2-CG1 3.49Å; W158-V286 VanDerWaalsContact CH2-CG1 3.49Å; W158-V286 HydrophobicContact CZ2-CG1 4.24Å; W158-V286 HydrophobicContact CZ3-CG1 4.21Å; V179-V286 WeakPolarHBondContact CG1-O 3.33Å; V179-V286 HydrophobicContact CG2-CG1 4.49Å; L250-V286 HydrophobicContact CB-CG1 3.91Å; L250-V286 HydrophobicContact CB-CG2 4.42Å; L250-V286 HydrophobicContact CD2-CG2 4.16Å; M270-V286 HydrophobicContact CE-CG2 4.16Å; A271-V286 CarbonylContact O-C 3.6Å; A271-V286 VanDerWaalsContact O-CA 3.28Å; A271-V286 WeakPolarHBondContact O-CA 3.42Å; W272-V286 HydrophobicContact CB-CB 4.17Å; W272-V286 HydrophobicContact CB-CG2 4.21Å; L283-V286 HydrophobicContact CD1-CB 4.21Å; L283-V286 HydrophobicContact CD1-CG1 4.24Å; L283-V286 HydrophobicContact CD2-CG1 4.04Å |
| 287 | F | 94.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.7 | -175.2 | 63 | -83.7 | 0 | 0 | 0 | 112.2 | H193 M270 A271 Y273 T285 K289 | H193-F287 HydrophobicContact CB-CB 4.19Å; H193-F287 AromaticContact CD2-CG 3.94Å; H193-F287 AromaticContact CE1-CD2 3.88Å; H193-F287 AromaticContact CE1-CG 3.86Å; H193-F287 AromaticContact NE2-CD1 3.84Å; H193-F287 AromaticContact NE2-CG 3.67Å; M270-F287 WeakPolarHBondContact CE-O 3.35Å; A271-F287 HydrophobicContact CB-CD1 4.45Å; A271-F287 HydrophobicContact CB-CE1 4Å; A271-F287 HydrophobicContact CB-CE2 4.22Å; A271-F287 HydrophobicContact CB-CZ 3.88Å; A271-F287 PolarHBondContact N-O 2.99Å; A271-F287 PolarHBondContact O-N 2.79Å; Y273-F287 HydrophobicContact CD2-CE1 4.49Å; Y273-F287 HydrophobicContact CE2-CE1 4.14Å; Y273-F287 HydrophobicContact CE2-CZ 4.5Å; T285-F287 HydrophobicContact CG2-CD1 4.13Å; T285-F287 HydrophobicContact CG2-CE1 3.99Å; F287-K289 HydrophobicContact CD2-CG 4.43Å; F287-K289 HydrophobicContact CE2-CG 3.92Å |
| 288 | P | 93.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.006 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 142 | 173.4 | 30 | -34.6 | 0 | 0 | 0 | 110.6 | A236 F238 L268 M270 P290 | A236-P288 WeakPolarHBondContact CB-O 3.3Å; F238-P288 HydrophobicContact CD1-CG 4.34Å; F238-P288 HydrophobicContact CD2-CG 4.26Å; F238-P288 HydrophobicContact CE1-CB 3.87Å; F238-P288 HydrophobicContact CE1-CG 3.99Å; F238-P288 HydrophobicContact CE2-CB 4.32Å; F238-P288 HydrophobicContact CE2-CG 3.89Å; F238-P288 HydrophobicContact CG-CG 4.47Å; F238-P288 HydrophobicContact CZ-CB 3.68Å; F238-P288 HydrophobicContact CZ-CG 3.73Å; L268-P288 HydrophobicContact CD1-CB 4.06Å; L268-P288 HydrophobicContact CD2-CB 4.36Å; M270-P288 HydrophobicContact SD-CB 4.24Å; P288-P290 VanDerWaalsContact O-CD 3.25Å; P288-P290 WeakPolarHBondContact O-CD 3.43Å |
| 289 | K | 92.3 | Very high | 86.2 | Confident | 86 Ų | 86 | 80 Ų | 80 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 94.9 | 163 | -75.7 | -177.8 | 175.6 | 165.3 | 0 | 108.5 | K269 A271 F287 G291 | K269-K289 HydrophobicContact CB-CB 4.13Å; K269-K289 PolarHBondContact N-O 2.97Å; K269-K289 VanDerWaalsContact N-O 3.08Å; K269-K289 PolarHBondContact O-N 2.69Å; A271-K289 HydrophobicContact CB-CD 3.77Å; A271-K289 HydrophobicContact CB-CG 4.07Å; F287-K289 HydrophobicContact CD2-CG 4.43Å; F287-K289 HydrophobicContact CE2-CG 3.92Å; K289-G291 PolarHBondContact O-N 3.16Å |
| 290 | P | 89.4 | Confident | 84.2 | Confident | 13 Ų | 13 | 77.5 Ų | 77.5 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.3 | 133.3 | 176.3 | -36.9 | 41.1 | 0 | 0 | 0 | 113.6 | I214 Y220 E222 A236 P288 | I214-P290 HydrophobicContact CB-CB 4.05Å; I214-P290 HydrophobicContact CD1-CB 3.92Å; I214-P290 WeakPolarHBondContact CD1-O 3.26Å; I214-P290 HydrophobicContact CG2-CB 3.69Å; Y220-P290 HydrophobicContact CD2-CB 3.45Å; Y220-P290 VanDerWaalsContact CD2-CB 3.45Å; Y220-P290 HydrophobicContact CD2-CG 3.7Å; Y220-P290 HydrophobicContact CE2-CB 3.47Å; Y220-P290 VanDerWaalsContact CE2-CB 3.47Å; Y220-P290 HydrophobicContact CE2-CG 4.22Å; Y220-P290 HydrophobicContact CG-CB 4.28Å; Y220-P290 HydrophobicContact CG-CG 4.14Å; E222-P290 HydrophobicContact CB-CG 4.43Å; A236-P290 HydrophobicContact CB-CG 3.81Å; P288-P290 VanDerWaalsContact O-CD 3.25Å; P288-P290 WeakPolarHBondContact O-CD 3.43Å |
| 291 | G | 85.6 | Confident | 82 | Confident | 22 Ų | 22 | 85.1 Ų | 85.1 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 169.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y220 K289 | Y220-G291 PolarHBondContact OH-N 2.7Å; Y220-G291 PolarHBondContact OH-O 2.89Å; K289-G291 PolarHBondContact O-N 3.16Å |
| 292 | N | 82.5 | Confident | 81.4 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -16 | 174.9 | -76.8 | -38.4 | 0 | 0 | 0 | 114 | K216 | K216-N292 WeakPolarHBondContact CE-O 3.49Å; K216-N292 PolarHBondContact NZ-O 3.04Å |
| 293 | K | 90.1 | Very high | 80.6 | Confident | 152 Ų | 152 | 88.8 Ų | 88.8 | 66% | 0.661 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119 | -173 | -171.3 | 176.8 | -178.8 | 171.3 | 0 | 111 | W267 | W267-K293 PolarHBondContact N-O 2.77Å |
| 294 | C | 91.5 | Very high | 79.7 | Confident | 42 Ų | 42 | 93.4 Ų | 93.4 | 28% | 0.284 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 158.6 | 166.7 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | K216 G265 C266 | K216-C294 VanDerWaalsContact CE-SG 3.53Å; G265-C294 CarbonylContact O-C 3.57Å; G265-C294 VanDerWaalsContact O-CA 3.3Å; G265-C294 WeakPolarHBondContact O-CA 3.1Å; G265-C294 WeakPolarHBondContact O-CB 3.35Å; C266-C294 HydrophobicContact CB-CB 3.97Å; C266-C294 WeakPolarHBondContact CB-SG 3.49Å; C266-C294 WeakPolarHBondContact SG-CB 3.4Å; C266-C294 CovalentContact SG-SG 2.04Å; C266-C294 PolarHBondContact SG-SG 2.94Å |
| 295 | D | 88.3 | Confident | 78.7 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | trans | -58.1 | 145.8 | 168.8 | -62.8 | -17.9 | 0 | 0 | 0 | 109 | K262 G265 K297 | K262-D295 WeakPolarHBondContact CD-OD2 3.33Å; K262-D295 WeakPolarHBondContact CE-OD2 3.43Å; K262-D295 IonicContact NZ-OD1 2.86Å; K262-D295 PolarHBondContact NZ-OD1 3.16Å; K262-D295 IonicContact NZ-OD2 2.69Å; K262-D295 PolarHBondContact NZ-OD2 3.2Å; G265-D295 PolarHBondContact O-N 3.32Å; D295-K297 PolarHBondContact O-N 2.94Å | ||
| 296 | S | 79.6 | Confident | 77.6 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 77% | 0.769 | 52% | 0.515 | S | S | * | . | trans | -60.2 | 132.6 | 174.1 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | K298 | S296-K298 PolarHBondContact O-N 3.03Š| ||
| 297 | K | 67 | Low | 76.3 | Confident | 204 Ų | 204 | 110.8 Ų | 110.8 | 89% | 0.887 | 55% | 0.55 | S | S | * | . | trans | -56.7 | 115.7 | 168.1 | -69.3 | -173.6 | 179.7 | -177.8 | 0 | 106.3 | D295 K299 | D295-K297 PolarHBondContact O-N 2.94Å; K297-K299 PolarHBondContact O-N 3.44Å | ||
| 298 | K | 56.5 | Low | 75 | Confident | 202 Ų | 202 | 116.3 Ų | 116.3 | 88% | 0.878 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 118.6 | 168.3 | -72.8 | -175.5 | 179 | 178.3 | 0 | 105.8 | S296 | S296-K298 PolarHBondContact O-N 3.03Š|
| 299 | K | 41.6 | Very low | 73.6 | Confident | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.835 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 129.3 | 167.8 | -77.6 | -174.8 | 176.5 | -178.2 | 0 | 105.9 | K297 K301 | K297-K299 PolarHBondContact O-N 3.44Å; K299-K301 PolarHBondContact O-N 3.31Å |
| 300 | P | 48.4 | Very low | 72.1 | Confident | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.5 | 166.4 | 15.4 | -18.4 | 0 | 0 | 0 | 106.9 | ||
| 301 | K | 44.4 | Very low | 70.5 | Confident | 283 Ų | 283 | 138.9 Ų | 138.9 | 100% | 1.23 | 69% | 0.694 | S | S | * | * | trans | -63 | 0 | 171.2 | -83.6 | -172.5 | 173.7 | -175 | 0 | 109.2 | K299 | K299-K301 PolarHBondContact O-N 3.31Š|
Retrieved 301 of 301 residues in 355.1 ms
(Link to these results)