| 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 | 88.4 | Confident | 96.5 | Very high | 133 Ų | 133 | 127.2 Ų | 127.2 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | 0 | 140 | 0 | -58 | 173.7 | 73.2 | 0 | 0 | 108.4 | Y3 D35 I36 E39 | M1-Y3 HydrophobicContact CB-CD1 3.74Å; M1-Y3 HydrophobicContact CB-CE1 3.92Å; M1-D35 HydrophobicContact CE-CB 3.67Å; M1-I36 HydrophobicContact CE-CG1 3.97Å; M1-I36 HydrophobicContact SD-CG1 4.3Å; M1-E39 HydrophobicContact CE-CG 3.97Å; M1-E39 HydrophobicContact SD-CB 4.33Å; M1-E39 HydrophobicContact SD-CG 3.85Å | |||
| 2 | V | 96.9 | Very high | 96.6 | Very high | 159 Ų | 159 | 122 Ų | 122 | 96% | 0.964 | 67% | 0.668 | S | S | * | * | trans | -107.7 | 118.3 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | Y | 97.3 | Very high | 96.7 | Very high | 109 Ų | 109 | 113.4 Ų | 113.4 | 43% | 0.427 | 62% | 0.619 | S | S | . | * | trans | -147.5 | 160.1 | -179.4 | 53.9 | -102.5 | 0 | 0 | 0 | 110.5 | M1 Q5 I36 | M1-Y3 HydrophobicContact CB-CD1 3.74Å; M1-Y3 HydrophobicContact CB-CE1 3.92Å; Y3-Q5 PolarHBondContact O-N 3.44Å; Y3-I36 HydrophobicContact CD1-CD1 4.02Å; Y3-I36 HydrophobicContact CD1-CG1 4.18Å; Y3-I36 HydrophobicContact CD2-CD1 4.18Å; Y3-I36 HydrophobicContact CE1-CD1 3.71Å; Y3-I36 HydrophobicContact CE1-CG1 4.05Å; Y3-I36 HydrophobicContact CE2-CD1 3.9Å; Y3-I36 HydrophobicContact CG-CD1 4.25Å | ||
| 4 | P | 97.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 118.1 Ų | 118.1 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.6 | 178.7 | -26 | 35.4 | 0 | 0 | 0 | 112.7 | ||
| 5 | Q | 97.3 | Very high | 97 | Very high | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.7 | 178.9 | -173.1 | -178.6 | 7.7 | 0 | 0 | 110.9 | Y3 K7 | Y3-Q5 PolarHBondContact O-N 3.44Å; Q5-K7 PolarHBondContact O-N 3.27Å |
| 6 | P | 97.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 110.5 Ų | 110.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.5 | 171.4 | -24.2 | 34.1 | 0 | 0 | 0 | 111.2 | V8 | P6-V8 PolarHBondContact O-N 3.02Š|
| 7 | K | 97.1 | Very high | 97.2 | Very high | 157 Ų | 157 | 109.6 Ų | 109.6 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | trans | -91.2 | 95.5 | -179.1 | -66.7 | -176.7 | -179.6 | -178.7 | 0 | 110.1 | Q5 L9 T10 | Q5-K7 PolarHBondContact O-N 3.27Å; K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 3.1Å; K7-L9 VanDerWaalsContact O-N 3.17Å; K7-T10 PolarHBondContact O-N 3.01Å | ||
| 8 | V | 96.4 | Very high | 97.3 | Very high | 140 Ų | 140 | 105.8 Ų | 105.8 | 85% | 0.848 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -40.8 | -175.1 | 179.7 | 0 | 0 | 0 | 0 | 113.3 | P6 T10 | P6-V8 PolarHBondContact O-N 3.02Å; V8-T10 VanDerWaalsContact C-N 3.31Å; V8-T10 PolarHBondContact O-N 3.41Å |
| 9 | L | 97.6 | Very high | 97.3 | Very high | 168 Ų | 168 | 103.6 Ų | 103.6 | 88% | 0.88 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 10.3 | -179.2 | -57.5 | -180 | 0 | 0 | 0 | 113.6 | K7 | K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 3.1Å; K7-L9 VanDerWaalsContact O-N 3.17Å |
| 10 | T | 97.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -125.9 | 112.7 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | K7 V8 | K7-T10 PolarHBondContact O-N 3.01Å; V8-T10 VanDerWaalsContact C-N 3.31Å; V8-T10 PolarHBondContact O-N 3.41Å |
| 11 | P | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 99.2 Ų | 99.2 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | trans | -66 | 142.5 | 178 | 29.6 | -36.3 | 0 | 0 | 0 | 110.7 | R13 K14 | P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.37Å; P11-K14 HydrophobicContact CB-CG 4.36Å; P11-K14 HydrophobicContact CG-CD 4.09Å; P11-K14 HydrophobicContact CG-CG 3.49Å; P11-K14 VanDerWaalsContact CG-CG 3.49Å | ||
| 12 | C | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 95.8 Ų | 95.8 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -67.9 | -31.6 | 177.5 | 57 | 0 | 0 | 0 | 0 | 112.8 | G30 | C12-G30 WeakPolarHBondContact CB-O 3.38Š|
| 13 | R | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 95.2 Ų | 95.2 | 4% | 0.038 | 51% | 0.511 | C | S | . | . | trans | -137.8 | 139.7 | 173.2 | -64.2 | -66.8 | -67 | -92.8 | -4.1 | 109.2 | P11 D15 V16 V18 E29 T31 E254 V267 | P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.37Å; R13-D15 IonicContact CZ-OD1 3.91Å; R13-D15 IonicContact CZ-OD2 2.77Å; R13-D15 IonicContact NE-OD1 3.48Å; R13-D15 PolarHBondContact NE-OD1 2.95Å; R13-D15 IonicContact NE-OD2 3.78Å; R13-D15 PolarHBondContact NE-OD2 3.41Å; R13-D15 IonicContact NH2-OD1 3.48Å; R13-D15 IonicContact NH2-OD2 3.54Å; R13-D15 PolarHBondContact NH2-OD2 3.28Å; R13-V16 HydrophobicContact CB-CG2 3.71Å; R13-V16 HydrophobicContact CG-CG2 4.01Å; R13-V18 HydrophobicContact CB-CG1 3.74Å; R13-V18 HydrophobicContact CG-CG1 4.05Å; R13-E29 PolarHBondContact NH1-O 3.09Å; R13-T31 HydrophobicContact CG-CG2 4.15Å; R13-E254 IonicContact NH1-OE1 3.31Å; R13-V267 PolarHBondContact NH2-O 3.49Å | ||
| 14 | K | 98.4 | Very high | 98.1 | Very high | 179 Ų | 179 | 90.2 Ų | 90.2 | 78% | 0.778 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -112.7 | -8.4 | 178.2 | -67.9 | -173.4 | -179.4 | -176.5 | 0 | 113 | P11 | P11-K14 HydrophobicContact CB-CG 4.36Å; P11-K14 HydrophobicContact CG-CD 4.09Å; P11-K14 HydrophobicContact CG-CG 3.49Å; P11-K14 VanDerWaalsContact CG-CG 3.49Å |
| 15 | D | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 87.8 Ų | 87.8 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -109.2 | -8.1 | -166.5 | 55.8 | -46.3 | 0 | 0 | 0 | 112.9 | R13 | R13-D15 IonicContact CZ-OD1 3.91Å; R13-D15 IonicContact CZ-OD2 2.77Å; R13-D15 IonicContact NE-OD1 3.48Å; R13-D15 PolarHBondContact NE-OD1 2.95Å; R13-D15 IonicContact NE-OD2 3.78Å; R13-D15 PolarHBondContact NE-OD2 3.41Å; R13-D15 IonicContact NH2-OD1 3.48Å; R13-D15 IonicContact NH2-OD2 3.54Å; R13-D15 PolarHBondContact NH2-OD2 3.28Å |
| 16 | V | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 79.6 Ų | 79.6 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -144.3 | 157.1 | -177.9 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | R13 V18 W28 V267 | R13-V16 HydrophobicContact CB-CG2 3.71Å; R13-V16 HydrophobicContact CG-CG2 4.01Å; V16-V18 HydrophobicContact CG2-CG1 4.11Å; V16-W28 HydrophobicContact CB-CD2 4.34Å; V16-W28 HydrophobicContact CB-CZ2 4.13Å; V16-W28 HydrophobicContact CG1-CD2 4.31Å; V16-W28 HydrophobicContact CG1-CE3 4.38Å; V16-W28 HydrophobicContact CG1-CH2 3.95Å; V16-W28 HydrophobicContact CG1-CZ2 3.88Å; V16-W28 HydrophobicContact CG1-CZ3 4.18Å; V16-W28 HydrophobicContact CG2-CD2 3.96Å; V16-W28 HydrophobicContact CG2-CG 3.96Å; V16-V267 HydrophobicContact CG1-CG2 3.21Å |
| 17 | L | 98.7 | Very high | 98.4 | Very high | 96 Ų | 96 | 75.2 Ų | 75.2 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | trans | -72.4 | 128.6 | 165.6 | -173.6 | 66.5 | 0 | 0 | 0 | 109.6 | V19 I26 W28 F195 | L17-V19 WeakPolarHBondContact CD1-O 3.41Å; L17-V19 WeakPolarHBondContact CG-O 3.48Å; L17-I26 HydrophobicContact CB-CD1 4.1Å; L17-I26 HydrophobicContact CD2-CD1 3.73Å; L17-I26 HydrophobicContact CG-CD1 3.77Å; L17-W28 PolarHBondContact O-NE1 3.08Å; L17-W28 VanDerWaalsContact O-NE1 3.13Å; L17-F195 HydrophobicContact CD2-CZ 4.31Å | ||
| 18 | V | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 68.1 Ų | 68.1 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | trans | -111.6 | -4.3 | -178.6 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | R13 V16 I26 T31 | R13-V18 HydrophobicContact CB-CG1 3.74Å; R13-V18 HydrophobicContact CG-CG1 4.05Å; V16-V18 HydrophobicContact CG2-CG1 4.11Å; V18-I26 PolarHBondContact O-N 2.88Å; V18-T31 HydrophobicContact CB-CG2 4.15Å; V18-T31 HydrophobicContact CG1-CG2 3.72Å | ||
| 19 | V | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 64 Ų | 64 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -147.4 | 135.9 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | L17 A24 | L17-V19 WeakPolarHBondContact CD1-O 3.41Å; L17-V19 WeakPolarHBondContact CG-O 3.48Å; V19-A24 CarbonylContact C-O 3.46Å; V19-A24 WeakPolarHBondContact CA-O 3.33Å |
| 20 | T | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | trans | -75.4 | 165.2 | 178.1 | 69.7 | 0 | 0 | 0 | 0 | 111.3 | W22 L23 A24 I26 F195 V250 | T20-W22 HydrophobicContact CG2-CD2 4.45Å; T20-W22 HydrophobicContact CG2-CH2 4.03Å; T20-W22 HydrophobicContact CG2-CZ2 3.64Å; T20-W22 PolarHBondContact O-N 3.33Å; T20-W22 VanDerWaalsContact O-N 3.13Å; T20-W22 PolarHBondContact OG1-N 3.19Å; T20-W22 PolarHBondContact OG1-NE1 2.98Å; T20-L23 PolarHBondContact O-N 3.06Å; T20-A24 HydrophobicContact CG2-CB 4.12Å; T20-A24 WeakPolarHBondContact CG2-O 3.48Å; T20-A24 PolarHBondContact N-O 2.97Å; T20-A24 WeakPolarHBondContact OG1-CB 3.43Å; T20-A24 PolarHBondContact OG1-N 3.47Å; T20-A24 PolarHBondContact OG1-O 3.5Å; T20-I26 HydrophobicContact CG2-CD1 4.02Å; T20-I26 HydrophobicContact CG2-CG1 3.77Å; T20-F195 HydrophobicContact CG2-CE2 3.87Å; T20-F195 HydrophobicContact CG2-CZ 4.27Å; T20-V250 HydrophobicContact CG2-CB 4.5Å; T20-V250 HydrophobicContact CG2-CG2 3.85Å | ||
| 21 | P | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 72% | 0.721 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20 | 173.3 | -26.4 | 36.5 | 0 | 0 | 0 | 114.9 | ||
| 22 | W | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 55 Ų | 55 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 20.9 | 174.3 | 62.8 | 87.1 | 0 | 0 | 0 | 113.2 | T20 A24 D194 F195 K246 P247 V250 | T20-W22 HydrophobicContact CG2-CD2 4.45Å; T20-W22 HydrophobicContact CG2-CH2 4.03Å; T20-W22 HydrophobicContact CG2-CZ2 3.64Å; T20-W22 PolarHBondContact O-N 3.33Å; T20-W22 VanDerWaalsContact O-N 3.13Å; T20-W22 PolarHBondContact OG1-N 3.19Å; T20-W22 PolarHBondContact OG1-NE1 2.98Å; W22-A24 VanDerWaalsContact C-N 3.29Å; W22-A24 PolarHBondContact O-N 3.48Å; W22-D194 HydrophobicContact CH2-CB 3.72Å; W22-D194 HydrophobicContact CZ3-CB 3.68Å; W22-D194 VanDerWaalsContact CZ3-CG 3.46Å; W22-D194 WeakPolarHBondContact CZ3-OD1 3.48Å; W22-F195 AromaticContact CH2-CD2 3.9Å; W22-F195 HydrophobicContact CH2-CD2 3.9Å; W22-F195 AromaticContact CH2-CE2 3.64Å; W22-F195 HydrophobicContact CH2-CE2 3.64Å; W22-F195 HydrophobicContact CZ2-CE2 4.36Å; W22-F195 HydrophobicContact CZ3-CE2 4.28Å; W22-K246 HydrophobicContact CD2-CB 4.03Å; W22-K246 HydrophobicContact CD2-CD 4.19Å; W22-K246 HydrophobicContact CD2-CG 4.1Å; W22-K246 HydrophobicContact CE3-CD 4.17Å; W22-K246 HydrophobicContact CE3-CG 4.49Å; W22-K246 HydrophobicContact CG-CB 3.97Å; W22-K246 HydrophobicContact CG-CG 4.18Å; W22-K246 HydrophobicContact CH2-CD 4.44Å; W22-K246 HydrophobicContact CZ2-CB 4.48Å; W22-K246 HydrophobicContact CZ2-CD 4.49Å; W22-K246 HydrophobicContact CZ3-CD 4.31Å; W22-P247 HydrophobicContact CZ2-CG 4.09Å; W22-P247 PolarHBondContact NE1-O 3.17Å; W22-V250 HydrophobicContact CZ2-CG2 4.23Å |
| 23 | L | 98.8 | Very high | 98.7 | Very high | 146 Ų | 146 | 54.4 Ų | 54.4 | 76% | 0.764 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 66.5 | 20.2 | 173.9 | -50.9 | 178 | 0 | 0 | 0 | 115.5 | T20 | T20-L23 PolarHBondContact O-N 3.06Š|
| 24 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | trans | -82.2 | 132.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V19 T20 W22 I26 P247 T248 | V19-A24 CarbonylContact C-O 3.46Å; V19-A24 WeakPolarHBondContact CA-O 3.33Å; T20-A24 HydrophobicContact CG2-CB 4.12Å; T20-A24 WeakPolarHBondContact CG2-O 3.48Å; T20-A24 PolarHBondContact N-O 2.97Å; T20-A24 WeakPolarHBondContact OG1-CB 3.43Å; T20-A24 PolarHBondContact OG1-N 3.47Å; T20-A24 PolarHBondContact OG1-O 3.5Å; W22-A24 VanDerWaalsContact C-N 3.29Å; W22-A24 PolarHBondContact O-N 3.48Å; A24-I26 PolarHBondContact O-N 2.61Å; A24-P247 VanDerWaalsContact CB-O 3.24Å; A24-P247 WeakPolarHBondContact CB-O 3.28Å; A24-T248 WeakPolarHBondContact CB-O 3.37Å | ||
| 25 | P | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 52 Ų | 52 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 137.9 | 172.8 | -23.2 | 33.5 | 0 | 0 | 0 | 111.8 | T248 K249 V250 | P25-T248 WeakPolarHBondContact CD-O 3.48Å; P25-K249 HydrophobicContact CB-CG 4.45Å; P25-K249 HydrophobicContact CG-CG 4.39Å; P25-K249 WeakPolarHBondContact O-CA 3.42Å; P25-V250 PolarHBondContact O-N 3.48Å |
| 26 | I | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.8 | 163.9 | -48.1 | -175.5 | 0 | 0 | 0 | 107.2 | L17 V18 T20 A24 W28 L164 F195 V250 | L17-I26 HydrophobicContact CB-CD1 4.1Å; L17-I26 HydrophobicContact CD2-CD1 3.73Å; L17-I26 HydrophobicContact CG-CD1 3.77Å; V18-I26 PolarHBondContact O-N 2.88Å; T20-I26 HydrophobicContact CG2-CD1 4.02Å; T20-I26 HydrophobicContact CG2-CG1 3.77Å; A24-I26 PolarHBondContact O-N 2.61Å; I26-W28 VanDerWaalsContact CG2-NE1 3.29Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.33Å; I26-L164 HydrophobicContact CG2-CD1 4.32Å; I26-F195 HydrophobicContact CD1-CE1 4.39Å; I26-F195 HydrophobicContact CD1-CZ 3.86Å; I26-V250 CarbonylContact C-O 3.52Å; I26-V250 WeakPolarHBondContact CA-O 3.33Å; I26-V250 HydrophobicContact CG1-CB 4.28Å; I26-V250 HydrophobicContact CG2-CB 4.39Å; I26-V250 HydrophobicContact CG2-CG1 4.32Å |
| 27 | V | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 107.4 | -169.2 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | F32 E155 K249 V250 L251 S252 Y255 | V27-F32 HydrophobicContact CG1-CD1 4.07Å; V27-F32 HydrophobicContact CG1-CE1 4Å; V27-E155 HydrophobicContact CG1-CB 4.35Å; V27-E155 HydrophobicContact CG1-CG 3.77Å; V27-K249 HydrophobicContact CG2-CB 4.39Å; V27-K249 HydrophobicContact CG2-CD 4.1Å; V27-V250 PolarHBondContact N-O 2.77Å; V27-L251 HydrophobicContact CB-CD2 3.93Å; V27-L251 HydrophobicContact CG2-CD2 3.75Å; V27-S252 WeakPolarHBondContact O-CB 3.26Å; V27-S252 PolarHBondContact O-N 2.92Å; V27-S252 VanDerWaalsContact O-N 3.16Å; V27-S252 PolarHBondContact O-OG 3.47Å; V27-Y255 HydrophobicContact CB-CE2 4.16Å; V27-Y255 HydrophobicContact CG1-CE2 3.76Å; V27-Y255 WeakPolarHBondContact CG1-OH 3.24Å; V27-Y255 WeakPolarHBondContact O-CE2 3.39Å |
| 28 | W | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | trans | -123.8 | 155.2 | 173.3 | -65.6 | 91.9 | 0 | 0 | 0 | 110.7 | V16 L17 I26 G30 T31 S252 P253 E254 V267 L268 | V16-W28 HydrophobicContact CB-CD2 4.34Å; V16-W28 HydrophobicContact CB-CZ2 4.13Å; V16-W28 HydrophobicContact CG1-CD2 4.31Å; V16-W28 HydrophobicContact CG1-CE3 4.38Å; V16-W28 HydrophobicContact CG1-CH2 3.95Å; V16-W28 HydrophobicContact CG1-CZ2 3.88Å; V16-W28 HydrophobicContact CG1-CZ3 4.18Å; V16-W28 HydrophobicContact CG2-CD2 3.96Å; V16-W28 HydrophobicContact CG2-CG 3.96Å; L17-W28 PolarHBondContact O-NE1 3.08Å; L17-W28 VanDerWaalsContact O-NE1 3.13Å; I26-W28 VanDerWaalsContact CG2-NE1 3.29Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.33Å; W28-G30 PolarHBondContact O-N 3.04Å; W28-T31 HydrophobicContact CB-CG2 3.86Å; W28-T31 PolarHBondContact N-OG1 2.95Å; W28-T31 WeakPolarHBondContact O-CB 3.36Å; W28-T31 WeakPolarHBondContact O-CG2 3.15Å; W28-T31 PolarHBondContact O-N 2.73Å; W28-T31 PolarHBondContact O-OG1 3.42Å; W28-S252 VanDerWaalsContact CE3-CB 3.41Å; W28-P253 VanDerWaalsContact CH2-CD 3.49Å; W28-P253 HydrophobicContact CH2-CG 4.37Å; W28-E254 HydrophobicContact CE3-CG 4.1Å; W28-E254 HydrophobicContact CZ3-CG 4.39Å; W28-V267 HydrophobicContact CH2-CG2 4.38Å; W28-V267 HydrophobicContact CZ3-CG2 4.24Å; W28-L268 HydrophobicContact CH2-CD2 4.44Å; W28-L268 HydrophobicContact CZ3-CD2 3.75Å | ||
| 29 | E | 98.9 | Very high | 98.8 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.5 | 170.3 | -175.4 | 58.6 | -162.8 | 0 | 0 | 111.1 | R13 E254 R269 K270 R272 | R13-E29 PolarHBondContact NH1-O 3.09Å; E29-E254 WeakPolarHBondContact CB-OE1 3.29Å; E29-E254 WeakPolarHBondContact CB-OE2 3.41Å; E29-E254 PolarHBondContact N-OE1 3.03Å; E29-E254 PolarHBondContact N-OE2 3.3Å; E29-R269 HydrophobicContact CB-CB 3.9Å; E29-R269 HydrophobicContact CG-CB 3.98Å; E29-K270 HydrophobicContact CB-CD 4.4Å; E29-K270 HydrophobicContact CG-CD 3.99Å; E29-K270 HydrophobicContact CG-CG 4.3Å; E29-K270 WeakPolarHBondContact OE2-CD 3.39Å; E29-K270 WeakPolarHBondContact OE2-CE 3.38Å; E29-R272 IonicContact OE2-CZ 2.95Å; E29-R272 IonicContact OE2-NH1 3.99Å; E29-R272 IonicContact OE2-NH2 2.73Å; E29-R272 PolarHBondContact OE2-NH2 2.98Å |
| 30 | G | 98.4 | Very high | 98.8 | Very high | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -3.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C12 W28 | C12-G30 WeakPolarHBondContact CB-O 3.38Å; W28-G30 PolarHBondContact O-N 3.04Å |
| 31 | T | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -89.4 | -12.2 | 178.2 | 62.9 | 0 | 0 | 0 | 0 | 114 | R13 V18 W28 | R13-T31 HydrophobicContact CG-CG2 4.15Å; V18-T31 HydrophobicContact CB-CG2 4.15Å; V18-T31 HydrophobicContact CG1-CG2 3.72Å; W28-T31 HydrophobicContact CB-CG2 3.86Å; W28-T31 PolarHBondContact N-OG1 2.95Å; W28-T31 WeakPolarHBondContact O-CB 3.36Å; W28-T31 WeakPolarHBondContact O-CG2 3.15Å; W28-T31 PolarHBondContact O-N 2.73Å; W28-T31 PolarHBondContact O-OG1 3.42Å |
| 32 | F | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | -134.4 | 155.3 | -177.1 | 59.2 | -87.7 | 0 | 0 | 0 | 111.4 | V27 I34 L37 E155 | V27-F32 HydrophobicContact CG1-CD1 4.07Å; V27-F32 HydrophobicContact CG1-CE1 4Å; F32-I34 HydrophobicContact CD2-CB 4.17Å; F32-I34 HydrophobicContact CD2-CD1 4.39Å; F32-I34 HydrophobicContact CE2-CB 4.08Å; F32-I34 HydrophobicContact CE2-CD1 4.19Å; F32-L37 HydrophobicContact CB-CD1 3.76Å; F32-L37 HydrophobicContact CD2-CD1 4.08Å; F32-L37 HydrophobicContact CG-CD1 4.19Å; F32-E155 HydrophobicContact CD1-CB 4.09Å; F32-E155 HydrophobicContact CD1-CG 4.14Å; F32-E155 HydrophobicContact CD2-CB 3.88Å; F32-E155 HydrophobicContact CD2-CG 4.28Å; F32-E155 HydrophobicContact CE1-CB 4.27Å; F32-E155 HydrophobicContact CE1-CG 3.82Å; F32-E155 HydrophobicContact CE2-CB 4.05Å; F32-E155 HydrophobicContact CE2-CG 3.95Å; F32-E155 HydrophobicContact CG-CB 3.91Å; F32-E155 HydrophobicContact CG-CG 4.37Å; F32-E155 HydrophobicContact CZ-CB 4.25Å; F32-E155 HydrophobicContact CZ-CG 3.72Å | ||
| 33 | N | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | trans | -104 | 112.6 | 164.8 | -179.7 | -43 | 0 | 0 | 0 | 107.7 | D35 I36 L37 | N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.07Å; N33-D35 WeakPolarHBondContact OD1-CB 3.48Å; N33-D35 PolarHBondContact OD1-N 3.2Å; N33-I36 HydrophobicContact CB-CB 4.47Å; N33-I36 HydrophobicContact CB-CD1 3.94Å; N33-I36 HydrophobicContact CB-CG1 4.16Å; N33-I36 PolarHBondContact O-N 2.55Å; N33-I36 PolarHBondContact OD1-N 3.28Å; N33-L37 PolarHBondContact O-N 2.74Å | ||
| 34 | I | 98.7 | Very high | 98.7 | Very high | 44 Ų | 44 | 54 Ų | 54 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.4 | -28.6 | -172.6 | -166.3 | 54.3 | 0 | 0 | 0 | 113 | F32 L37 N38 H151 V154 E155 | F32-I34 HydrophobicContact CD2-CB 4.17Å; F32-I34 HydrophobicContact CD2-CD1 4.39Å; F32-I34 HydrophobicContact CE2-CB 4.08Å; F32-I34 HydrophobicContact CE2-CD1 4.19Å; I34-L37 PolarHBondContact O-N 3Å; I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 PolarHBondContact O-N 3.08Å; I34-N38 PolarHBondContact O-ND2 3.02Å; I34-H151 WeakPolarHBondContact CD1-NE2 3.43Å; I34-V154 HydrophobicContact CD1-CG2 4.24Å; I34-E155 WeakPolarHBondContact CD1-OE2 3.47Å |
| 35 | D | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.6 | -59 | -39.5 | 0 | 0 | 0 | 110.5 | M1 N33 L37 N38 E39 | M1-D35 HydrophobicContact CE-CB 3.67Å; N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.07Å; N33-D35 WeakPolarHBondContact OD1-CB 3.48Å; N33-D35 PolarHBondContact OD1-N 3.2Å; D35-L37 PolarHBondContact O-N 3.09Å; D35-N38 PolarHBondContact O-N 2.76Å; D35-E39 WeakPolarHBondContact O-CG 3.26Å; D35-E39 PolarHBondContact O-N 2.94Å |
| 36 | I | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 178.6 | -61.9 | 177.7 | 0 | 0 | 0 | 109.9 | M1 Y3 N33 E39 Q40 | M1-I36 HydrophobicContact CE-CG1 3.97Å; M1-I36 HydrophobicContact SD-CG1 4.3Å; Y3-I36 HydrophobicContact CD1-CD1 4.02Å; Y3-I36 HydrophobicContact CD1-CG1 4.18Å; Y3-I36 HydrophobicContact CD2-CD1 4.18Å; Y3-I36 HydrophobicContact CE1-CD1 3.71Å; Y3-I36 HydrophobicContact CE1-CG1 4.05Å; Y3-I36 HydrophobicContact CE2-CD1 3.9Å; Y3-I36 HydrophobicContact CG-CD1 4.25Å; N33-I36 HydrophobicContact CB-CB 4.47Å; N33-I36 HydrophobicContact CB-CD1 3.94Å; N33-I36 HydrophobicContact CB-CG1 4.16Å; N33-I36 PolarHBondContact O-N 2.55Å; N33-I36 PolarHBondContact OD1-N 3.28Å; I36-E39 PolarHBondContact O-N 3.15Å; I36-Q40 WeakPolarHBondContact O-CG 3.46Å; I36-Q40 PolarHBondContact O-N 2.99Å; I36-Q40 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 179.1 | -63.3 | 176 | 0 | 0 | 0 | 111.3 | F32 N33 I34 D35 E39 Q40 F41 V154 E155 | F32-L37 HydrophobicContact CB-CD1 3.76Å; F32-L37 HydrophobicContact CD2-CD1 4.08Å; F32-L37 HydrophobicContact CG-CD1 4.19Å; N33-L37 PolarHBondContact O-N 2.74Å; I34-L37 PolarHBondContact O-N 3Å; D35-L37 PolarHBondContact O-N 3.09Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.32Å; L37-Q40 PolarHBondContact O-N 3.47Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.92Å; L37-V154 HydrophobicContact CB-CG2 3.84Å; L37-E155 HydrophobicContact CD1-CB 3.59Å |
| 38 | N | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 176.8 | -82.2 | -25.7 | 0 | 0 | 0 | 112.1 | I34 D35 R42 H77 V154 | I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 PolarHBondContact O-N 3.08Å; I34-N38 PolarHBondContact O-ND2 3.02Å; D35-N38 PolarHBondContact O-N 2.76Å; N38-R42 WeakPolarHBondContact O-CB 3.34Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.91Å; N38-R42 PolarHBondContact O-NE 3.49Å; N38-H77 PolarHBondContact OD1-NE2 2.98Å; N38-V154 WeakPolarHBondContact OD1-CG2 3.49Å |
| 39 | E | 98.6 | Very high | 98.6 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 173.3 | -73.5 | -61.4 | 151.5 | 0 | 0 | 111.3 | M1 D35 I36 L37 F41 R42 L43 | M1-E39 HydrophobicContact CE-CG 3.97Å; M1-E39 HydrophobicContact SD-CB 4.33Å; M1-E39 HydrophobicContact SD-CG 3.85Å; D35-E39 WeakPolarHBondContact O-CG 3.26Å; D35-E39 PolarHBondContact O-N 2.94Å; I36-E39 PolarHBondContact O-N 3.15Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.32Å; E39-F41 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact CD-NH2 3.28Å; E39-R42 PolarHBondContact O-N 3.47Å; E39-R42 IonicContact OE1-CZ 2.69Å; E39-R42 IonicContact OE1-NH2 3.75Å; E39-R42 PolarHBondContact OE1-NH2 2.9Å; E39-R42 IonicContact OE2-NH2 3.63Å; E39-L43 WeakPolarHBondContact O-CB 3.32Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.44Å |
| 40 | Q | 98.7 | Very high | 98.6 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | -178.5 | -73.9 | 174.3 | -15.8 | 0 | 0 | 113.5 | I36 L37 Q44 | I36-Q40 WeakPolarHBondContact O-CG 3.46Å; I36-Q40 PolarHBondContact O-N 2.99Å; I36-Q40 VanDerWaalsContact O-N 3.07Å; L37-Q40 PolarHBondContact O-N 3.47Å; Q40-Q44 PolarHBondContact O-NE2 2.78Å |
| 41 | F | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.8 | -30.8 | -178.5 | -75.6 | -83.5 | 0 | 0 | 0 | 112.7 | L37 E39 Q44 N45 T46 Y138 V154 L157 | L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.92Å; E39-F41 PolarHBondContact O-N 3.4Å; F41-Q44 PolarHBondContact O-N 3.32Å; F41-N45 PolarHBondContact O-N 2.91Å; F41-T46 HydrophobicContact CD1-CG2 4.12Å; F41-T46 PolarHBondContact O-N 3.31Å; F41-T46 PolarHBondContact O-OG1 3.02Å; F41-T46 VanDerWaalsContact O-OG1 3.05Å; F41-Y138 HydrophobicContact CE1-CE2 4.12Å; F41-V154 HydrophobicContact CB-CB 4.2Å; F41-V154 HydrophobicContact CB-CG1 3.97Å; F41-V154 HydrophobicContact CB-CG2 4.47Å; F41-V154 HydrophobicContact CD2-CB 3.62Å; F41-V154 HydrophobicContact CD2-CG1 4.33Å; F41-V154 HydrophobicContact CD2-CG2 3.85Å; F41-V154 HydrophobicContact CE2-CB 4.14Å; F41-V154 HydrophobicContact CG-CB 3.93Å; F41-V154 HydrophobicContact CG-CG1 4.14Å; F41-V154 HydrophobicContact CG-CG2 4.42Å; F41-L157 HydrophobicContact CD1-CD1 3.97Å; F41-L157 HydrophobicContact CE1-CB 3.81Å; F41-L157 HydrophobicContact CE1-CD1 3.97Å; F41-L157 HydrophobicContact CZ-CB 3.8Å |
| 42 | R | 98 | Very high | 98.7 | Very high | 122 Ų | 122 | 49.9 Ų | 49.9 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 173.1 | -76.7 | -175 | -67.1 | 155.2 | 0.8 | 112.3 | N38 E39 Q44 N45 | N38-R42 WeakPolarHBondContact O-CB 3.34Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.91Å; N38-R42 PolarHBondContact O-NE 3.49Å; E39-R42 VanDerWaalsContact CD-NH2 3.28Å; E39-R42 PolarHBondContact O-N 3.47Å; E39-R42 IonicContact OE1-CZ 2.69Å; E39-R42 IonicContact OE1-NH2 3.75Å; E39-R42 PolarHBondContact OE1-NH2 2.9Å; E39-R42 IonicContact OE2-NH2 3.63Å; R42-Q44 PolarHBondContact O-N 3.2Å; R42-N45 PolarHBondContact O-N 2.63Å |
| 43 | L | 98.3 | Very high | 98.7 | Very high | 143 Ų | 143 | 48.4 Ų | 48.4 | 75% | 0.749 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62 | -25.2 | 174.4 | -73.2 | 171.6 | 0 | 0 | 0 | 112.9 | E39 N45 | E39-L43 WeakPolarHBondContact O-CB 3.32Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.44Å; L43-N45 VanDerWaalsContact C-N 3.33Å |
| 44 | Q | 98.3 | Very high | 98.6 | Very high | 123 Ų | 123 | 46 Ų | 46 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.4 | 174.5 | -67.9 | 172 | 62.8 | 0 | 0 | 112.9 | Q40 F41 R42 T46 | Q40-Q44 PolarHBondContact O-NE2 2.78Å; F41-Q44 PolarHBondContact O-N 3.32Å; R42-Q44 PolarHBondContact O-N 3.2Å; Q44-T46 PolarHBondContact O-N 3.43Å |
| 45 | N | 98.3 | Very high | 98.6 | Very high | 108 Ų | 108 | 44.3 Ų | 44.3 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.9 | -174.9 | -169.4 | 40.2 | 0 | 0 | 0 | 112.9 | F41 R42 L43 T47 R78 | F41-N45 PolarHBondContact O-N 2.91Å; R42-N45 PolarHBondContact O-N 2.63Å; L43-N45 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.29Å; N45-R78 VanDerWaalsContact OD1-CD 3.26Å; N45-R78 WeakPolarHBondContact OD1-CD 3.31Å |
| 46 | T | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | trans | -60.4 | 133 | -171.2 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | F41 Q44 I48 D137 Y138 L157 | F41-T46 HydrophobicContact CD1-CG2 4.12Å; F41-T46 PolarHBondContact O-N 3.31Å; F41-T46 PolarHBondContact O-OG1 3.02Å; F41-T46 VanDerWaalsContact O-OG1 3.05Å; Q44-T46 PolarHBondContact O-N 3.43Å; T46-I48 HydrophobicContact CG2-CD1 3.98Å; T46-I48 HydrophobicContact CG2-CG1 4.28Å; T46-D137 VanDerWaalsContact CA-OD2 3.32Å; T46-D137 WeakPolarHBondContact CA-OD2 3.33Å; T46-D137 HydrophobicContact CG2-CB 4.29Å; T46-Y138 HydrophobicContact CG2-CD2 3.68Å; T46-Y138 HydrophobicContact CG2-CE2 3.88Å; T46-L157 HydrophobicContact CG2-CD1 4.04Å | ||
| 47 | T | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.6 | 173.2 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | N45 R78 V136 D137 Y138 | N45-T47 PolarHBondContact O-N 3.29Å; T47-R78 WeakPolarHBondContact CA-O 3.24Å; T47-R78 HydrophobicContact CG2-CB 3.89Å; T47-R78 WeakPolarHBondContact OG1-CD 3.34Å; T47-R78 PolarHBondContact OG1-NE 3.43Å; T47-V136 HydrophobicContact CG2-CB 4.39Å; T47-V136 HydrophobicContact CG2-CG1 3.91Å; T47-D137 PolarHBondContact N-OD2 2.8Å; T47-D137 PolarHBondContact O-N 2.66Å; T47-Y138 PolarHBondContact O-N 3.02Å |
| 48 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.1 | -176.4 | -54.3 | 85.7 | 0 | 0 | 0 | 109.8 | T46 F73 M74 H77 R78 V79 H80 V140 L157 | T46-I48 HydrophobicContact CG2-CD1 3.98Å; T46-I48 HydrophobicContact CG2-CG1 4.28Å; I48-F73 HydrophobicContact CG2-CE1 4.21Å; I48-F73 HydrophobicContact CG2-CZ 3.81Å; I48-M74 HydrophobicContact CB-CG 4.29Å; I48-M74 HydrophobicContact CD1-CB 4.39Å; I48-M74 HydrophobicContact CD1-CG 4.29Å; I48-M74 HydrophobicContact CD1-SD 4.19Å; I48-M74 HydrophobicContact CG1-CE 4.45Å; I48-M74 HydrophobicContact CG1-CG 4.19Å; I48-M74 HydrophobicContact CG1-SD 4.07Å; I48-M74 HydrophobicContact CG2-CE 4.3Å; I48-M74 HydrophobicContact CG2-CG 4.28Å; I48-H77 HydrophobicContact CD1-CB 3.86Å; I48-R78 PolarHBondContact N-O 2.97Å; I48-V79 WeakPolarHBondContact O-CA 3.46Å; I48-H80 PolarHBondContact O-N 3.29Å; I48-V140 HydrophobicContact CG2-CG2 3.91Å; I48-L157 HydrophobicContact CD1-CD1 4.23Å; I48-L157 HydrophobicContact CG1-CD1 3.78Å; I48-L157 HydrophobicContact CG1-CD2 4.15Å; I48-L157 HydrophobicContact CG2-CD2 4.34Å |
| 49 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H80 Y138 L139 V140 | G49-H80 CarbonylContact C-O 3.55Å; G49-H80 VanDerWaalsContact CA-O 3.28Å; G49-H80 WeakPolarHBondContact CA-O 3.32Å; G49-Y138 PolarHBondContact N-O 3.23Å; G49-L139 CarbonylContact O-C 3.47Å; G49-L139 WeakPolarHBondContact O-CA 3.35Å; G49-V140 PolarHBondContact O-N 2.84Å |
| 50 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107.5 | 171.6 | -175.7 | 64.1 | 0 | 0 | 0 | 109.3 | F65 F73 H80 Y81 Y82 V140 V142 F148 | L50-F65 HydrophobicContact CD2-CE1 3.94Å; L50-F65 HydrophobicContact CD2-CZ 3.78Å; L50-F65 HydrophobicContact CG-CZ 4.32Å; L50-F73 HydrophobicContact CB-CE1 3.84Å; L50-F73 HydrophobicContact CB-CZ 4.09Å; L50-F73 HydrophobicContact CD1-CE1 4.35Å; L50-F73 HydrophobicContact CD1-CE2 4.16Å; L50-F73 HydrophobicContact CD1-CZ 3.9Å; L50-F73 HydrophobicContact CD2-CD1 4Å; L50-F73 HydrophobicContact CD2-CE1 4Å; L50-F73 HydrophobicContact CD2-CG 4.32Å; L50-F73 HydrophobicContact CD2-CZ 4.32Å; L50-F73 HydrophobicContact CG-CE1 4.29Å; L50-F73 HydrophobicContact CG-CZ 4.34Å; L50-H80 PolarHBondContact N-O 3.06Å; L50-Y81 HydrophobicContact CB-CD1 4Å; L50-Y81 HydrophobicContact CB-CE1 4.45Å; L50-Y81 HydrophobicContact CD2-CD1 3.77Å; L50-Y81 HydrophobicContact CD2-CE1 3.67Å; L50-Y81 HydrophobicContact CG-CD1 4.34Å; L50-Y82 PolarHBondContact O-N 2.67Å; L50-V140 WeakPolarHBondContact CA-O 3.02Å; L50-V140 HydrophobicContact CD1-CB 3.81Å; L50-V140 HydrophobicContact CD1-CG1 3.62Å; L50-V142 HydrophobicContact CD1-CG1 4.36Å; L50-V142 HydrophobicContact CD1-CG2 3.71Å; L50-V142 HydrophobicContact CG-CG2 4.4Å; L50-F148 HydrophobicContact CD2-CZ 4.39Å |
| 51 | T | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.6 | 177 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | Y82 F84 F132 L139 V140 C141 V142 | T51-Y82 WeakPolarHBondContact CA-O 3.26Å; T51-Y82 HydrophobicContact CG2-CD2 4.28Å; T51-F84 HydrophobicContact CG2-CE2 4.13Å; T51-F132 HydrophobicContact CG2-CE2 4.11Å; T51-F132 HydrophobicContact CG2-CZ 3.8Å; T51-L139 HydrophobicContact CG2-CD2 3.78Å; T51-V140 PolarHBondContact N-O 3.46Å; T51-C141 WeakPolarHBondContact OG1-CA 3.28Å; T51-C141 WeakPolarHBondContact OG1-CB 3.37Å; T51-C141 PolarHBondContact OG1-SG 3.05Å; T51-V142 PolarHBondContact O-N 3.3Å |
| 52 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.4 | 178.4 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | L62 F65 Y82 V83 F84 V144 | V52-L62 HydrophobicContact CG1-CD2 4.39Å; V52-F65 HydrophobicContact CB-CE1 3.99Å; V52-F65 HydrophobicContact CB-CZ 3.98Å; V52-F65 HydrophobicContact CG1-CD1 4.48Å; V52-F65 HydrophobicContact CG1-CE1 3.9Å; V52-F65 HydrophobicContact CG1-CZ 4.41Å; V52-F65 HydrophobicContact CG2-CD1 4.36Å; V52-F65 HydrophobicContact CG2-CE1 3.97Å; V52-F65 HydrophobicContact CG2-CE2 4.18Å; V52-F65 HydrophobicContact CG2-CZ 3.87Å; V52-Y82 PolarHBondContact N-O 3.07Å; V52-V83 HydrophobicContact CG1-CB 4.49Å; V52-V83 HydrophobicContact CG1-CG2 3.95Å; V52-F84 PolarHBondContact O-N 3.08Å; V52-V144 HydrophobicContact CG2-CB 3.35Å; V52-V144 HydrophobicContact CG2-CG2 3.52Å |
| 53 | F | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.4 | -179.3 | -73.9 | -100.1 | 0 | 0 | 0 | 110.8 | F84 R120 M123 I124 V144 | F53-F84 HydrophobicContact CD1-CB 3.33Å; F53-F84 HydrophobicContact CD1-CD1 4.48Å; F53-F84 AromaticContact CD1-CG 3.92Å; F53-F84 HydrophobicContact CD1-CG 3.92Å; F53-F84 HydrophobicContact CD2-CB 4.35Å; F53-F84 HydrophobicContact CD2-CD2 4.3Å; F53-F84 HydrophobicContact CD2-CG 4.48Å; F53-F84 HydrophobicContact CE1-CB 3.36Å; F53-F84 AromaticContact CE1-CD1 3.64Å; F53-F84 HydrophobicContact CE1-CD1 3.64Å; F53-F84 HydrophobicContact CE1-CD2 4.04Å; F53-F84 HydrophobicContact CE1-CE1 4.37Å; F53-F84 AromaticContact CE1-CG 3.42Å; F53-F84 HydrophobicContact CE1-CG 3.42Å; F53-F84 VanDerWaalsContact CE1-CG 3.42Å; F53-F84 HydrophobicContact CE2-CB 4.39Å; F53-F84 AromaticContact CE2-CD2 3.81Å; F53-F84 HydrophobicContact CE2-CD2 3.81Å; F53-F84 HydrophobicContact CE2-CE2 4.21Å; F53-F84 HydrophobicContact CE2-CG 4.07Å; F53-F84 HydrophobicContact CG-CB 3.85Å; F53-F84 HydrophobicContact CG-CG 4.41Å; F53-F84 HydrophobicContact CZ-CB 3.93Å; F53-F84 AromaticContact CZ-CD1 3.77Å; F53-F84 HydrophobicContact CZ-CD1 3.77Å; F53-F84 AromaticContact CZ-CD2 3.67Å; F53-F84 HydrophobicContact CZ-CD2 3.67Å; F53-F84 HydrophobicContact CZ-CE1 4.1Å; F53-F84 HydrophobicContact CZ-CE2 4.03Å; F53-F84 AromaticContact CZ-CG 3.52Å; F53-F84 HydrophobicContact CZ-CG 3.52Å; F53-F84 HydrophobicContact CZ-CZ 4.22Å; F53-R120 HydrophobicContact CB-CG 4.28Å; F53-R120 HydrophobicContact CD1-CG 3.86Å; F53-R120 HydrophobicContact CD2-CB 4.06Å; F53-R120 HydrophobicContact CD2-CG 3.63Å; F53-R120 HydrophobicContact CE1-CB 4.38Å; F53-R120 HydrophobicContact CE1-CG 4.09Å; F53-R120 HydrophobicContact CE2-CB 3.8Å; F53-R120 HydrophobicContact CE2-CG 3.87Å; F53-R120 HydrophobicContact CG-CB 4.47Å; F53-R120 HydrophobicContact CG-CG 3.64Å; F53-R120 HydrophobicContact CZ-CB 3.97Å; F53-R120 HydrophobicContact CZ-CG 4.1Å; F53-M123 HydrophobicContact CD1-SD 4.36Å; F53-M123 HydrophobicContact CE1-CB 3.92Å; F53-M123 HydrophobicContact CE1-CG 4.37Å; F53-M123 HydrophobicContact CE1-SD 3.55Å; F53-M123 VanDerWaalsContact CE1-SD 3.55Å; F53-M123 HydrophobicContact CZ-CB 3.85Å; F53-M123 HydrophobicContact CZ-SD 4.42Å; F53-I124 HydrophobicContact CE2-CD1 3.97Å; F53-I124 HydrophobicContact CE2-CG1 3.83Å; F53-I124 HydrophobicContact CZ-CG1 4.04Å; F53-V144 WeakPolarHBondContact O-CB 3.06Å; F53-V144 WeakPolarHBondContact O-CG1 3.42Å |
| 54 | A | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 80 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V59 L62 F84 T85 V144 | A54-V59 HydrophobicContact CB-CG1 4.27Å; A54-V59 WeakPolarHBondContact O-CG1 3.48Å; A54-L62 HydrophobicContact CB-CD1 3.54Å; A54-L62 HydrophobicContact CB-CD2 3.68Å; A54-L62 HydrophobicContact CB-CG 3.51Å; A54-F84 PolarHBondContact N-O 2.99Å; A54-T85 WeakPolarHBondContact O-CA 3.5Å; A54-T85 VanDerWaalsContact O-CB 3.28Å; A54-T85 WeakPolarHBondContact O-CB 3.01Å; A54-T85 PolarHBondContact O-OG1 2.77Å; A54-V144 HydrophobicContact CB-CG2 4.28Å |
| 55 | I | 97.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | trans | -104.1 | 136.1 | -173.8 | -57.6 | -67.9 | 0 | 0 | 0 | 109.9 | K57 Y58 D86 V107 A109 V116 | I55-K57 PolarHBondContact O-N 3.39Å; I55-Y58 WeakPolarHBondContact O-CB 3.32Å; I55-Y58 PolarHBondContact O-N 3.39Å; I55-D86 WeakPolarHBondContact CA-OD1 3.46Å; I55-D86 HydrophobicContact CD1-CB 4.37Å; I55-V107 HydrophobicContact CD1-CG2 3.58Å; I55-A109 HydrophobicContact CG2-CB 3.81Å; I55-V116 HydrophobicContact CB-CG1 3.81Å; I55-V116 HydrophobicContact CG1-CG1 4.01Å; I55-V116 HydrophobicContact CG2-CG1 3.99Å; I55-V116 HydrophobicContact CG2-CG2 4.04Å | ||
| 56 | K | 96.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 25% | 0.252 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | 55.1 | -128.5 | -176 | -56.2 | 170.2 | -167.3 | 173.6 | 0 | 111.5 | Y58 V59 D86 Q87 A109 Y110 K111 | K56-Y58 PolarHBondContact O-N 3.39Å; K56-Y58 VanDerWaalsContact O-N 3.09Å; K56-V59 WeakPolarHBondContact O-CG2 3.34Å; K56-V59 PolarHBondContact O-N 3.43Å; K56-D86 PolarHBondContact N-OD1 3.13Å; K56-D86 PolarHBondContact N-OD2 2.93Å; K56-Q87 VanDerWaalsContact C-NE2 3.34Å; K56-Q87 PolarHBondContact O-NE2 2.91Å; K56-A109 HydrophobicContact CG-CB 4.26Å; K56-Y110 WeakPolarHBondContact CE-O 3.19Å; K56-Y110 PolarHBondContact NZ-O 2.91Å; K56-K111 PolarHBondContact NZ-O 2.92Å |
| 57 | K | 97.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 28.6 Ų | 28.6 | 37% | 0.374 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -63.9 | -14.2 | -177.7 | -63.7 | -178 | 175.7 | 178.7 | 0 | 113.6 | I55 V59 A60 A282 V283 N285 P286 | I55-K57 PolarHBondContact O-N 3.39Å; K57-V59 PolarHBondContact O-N 3.44Å; K57-A60 WeakPolarHBondContact O-CB 3.34Å; K57-A60 PolarHBondContact O-N 3.05Å; K57-A282 WeakPolarHBondContact CD-O 3.24Å; K57-A282 PolarHBondContact NZ-O 2.64Å; K57-A282 VanDerWaalsContact NZ-O 3.1Å; K57-V283 HydrophobicContact CB-CG2 4.1Å; K57-N285 VanDerWaalsContact CE-O 3.25Å; K57-N285 WeakPolarHBondContact CE-O 3.39Å; K57-N285 PolarHBondContact NZ-O 3.04Å; K57-P286 WeakPolarHBondContact CE-OXT 3.33Å; K57-P286 PolarHBondContact NZ-OXT 2.73Å |
| 58 | Y | 97.9 | Very high | 98.5 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 15% | 0.153 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -71.1 | -11 | -179.9 | -76.9 | -102.4 | 0 | 0 | 0 | 113.8 | I55 K56 A60 F61 V144 D145 V283 R284 | I55-Y58 WeakPolarHBondContact O-CB 3.32Å; I55-Y58 PolarHBondContact O-N 3.39Å; K56-Y58 PolarHBondContact O-N 3.39Å; K56-Y58 VanDerWaalsContact O-N 3.09Å; Y58-A60 PolarHBondContact O-N 2.93Å; Y58-A60 VanDerWaalsContact O-N 3.16Å; Y58-F61 AromaticContact CD1-CD2 3.7Å; Y58-F61 HydrophobicContact CD1-CD2 3.7Å; Y58-F61 AromaticContact CD1-CE2 3.6Å; Y58-F61 HydrophobicContact CD1-CE2 3.6Å; Y58-F61 HydrophobicContact CE1-CD2 4.47Å; Y58-F61 AromaticContact CE1-CE2 4Å; Y58-F61 HydrophobicContact CE1-CE2 4Å; Y58-F61 HydrophobicContact CG-CD2 4.19Å; Y58-F61 HydrophobicContact CG-CE2 4.11Å; Y58-F61 WeakPolarHBondContact O-CD2 3.36Å; Y58-F61 PolarHBondContact O-N 3.24Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; Y58-V144 HydrophobicContact CD1-CG1 3.76Å; Y58-V144 HydrophobicContact CG-CG1 4.34Å; Y58-D145 HydrophobicContact CD1-CB 4.3Å; Y58-D145 HydrophobicContact CE1-CB 4.14Å; Y58-V283 HydrophobicContact CD2-CG2 4.18Å; Y58-V283 HydrophobicContact CE2-CG1 4.11Å; Y58-V283 HydrophobicContact CE2-CG2 4Å; Y58-R284 HydrophobicContact CE2-CG 4.29Å; Y58-R284 WeakPolarHBondContact OH-CG 3.49Å |
| 59 | V | 98.3 | Very high | 98.5 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 15% | 0.145 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -57.1 | -25.5 | 168.5 | -61 | 0 | 0 | 0 | 0 | 112.9 | A54 K56 K57 F61 L62 Q87 A90 | A54-V59 HydrophobicContact CB-CG1 4.27Å; A54-V59 WeakPolarHBondContact O-CG1 3.48Å; K56-V59 WeakPolarHBondContact O-CG2 3.34Å; K56-V59 PolarHBondContact O-N 3.43Å; K57-V59 PolarHBondContact O-N 3.44Å; V59-F61 PolarHBondContact O-N 2.93Å; V59-L62 HydrophobicContact CB-CD1 4.38Å; V59-L62 WeakPolarHBondContact O-CB 3.12Å; V59-L62 PolarHBondContact O-N 3.09Å; V59-Q87 HydrophobicContact CG1-CB 4.31Å; V59-A90 HydrophobicContact CB-CB 4.08Å; V59-A90 HydrophobicContact CG1-CB 4.16Å; V59-A90 HydrophobicContact CG2-CB 4.01Å |
| 60 | A | 98.2 | Very high | 98.5 | Very high | 81 Ų | 81 | 30 Ų | 30 | 67% | 0.669 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -61.2 | -24.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | K57 Y58 | K57-A60 WeakPolarHBondContact O-CB 3.34Å; K57-A60 PolarHBondContact O-N 3.05Å; Y58-A60 PolarHBondContact O-N 2.93Å; Y58-A60 VanDerWaalsContact O-N 3.16Å |
| 61 | F | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 11% | 0.114 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -85.6 | -19.2 | -179.1 | -59.3 | -71 | 0 | 0 | 0 | 113.5 | Y58 V59 K63 L64 F65 V144 D145 V276 K278 V283 | Y58-F61 AromaticContact CD1-CD2 3.7Å; Y58-F61 HydrophobicContact CD1-CD2 3.7Å; Y58-F61 AromaticContact CD1-CE2 3.6Å; Y58-F61 HydrophobicContact CD1-CE2 3.6Å; Y58-F61 HydrophobicContact CE1-CD2 4.47Å; Y58-F61 AromaticContact CE1-CE2 4Å; Y58-F61 HydrophobicContact CE1-CE2 4Å; Y58-F61 HydrophobicContact CG-CD2 4.19Å; Y58-F61 HydrophobicContact CG-CE2 4.11Å; Y58-F61 WeakPolarHBondContact O-CD2 3.36Å; Y58-F61 PolarHBondContact O-N 3.24Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; V59-F61 PolarHBondContact O-N 2.93Å; F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.14Å; F61-L64 PolarHBondContact O-N 3.25Å; F61-F65 WeakPolarHBondContact O-CB 3.41Å; F61-F65 PolarHBondContact O-N 3.44Å; F61-V144 HydrophobicContact CB-CG1 4.23Å; F61-V144 HydrophobicContact CB-CG2 4.03Å; F61-V144 VanDerWaalsContact CB-O 3.3Å; F61-V144 WeakPolarHBondContact CB-O 3.4Å; F61-V144 HydrophobicContact CD2-CG1 4.22Å; F61-D145 HydrophobicContact CD1-CB 4.15Å; F61-D145 HydrophobicContact CD2-CB 3.85Å; F61-D145 HydrophobicContact CE1-CB 4.14Å; F61-D145 HydrophobicContact CE2-CB 3.84Å; F61-D145 HydrophobicContact CG-CB 4.01Å; F61-D145 HydrophobicContact CZ-CB 4Å; F61-V276 HydrophobicContact CD1-CB 4.36Å; F61-V276 HydrophobicContact CD1-CG1 4.13Å; F61-V276 HydrophobicContact CE1-CB 4.38Å; F61-V276 HydrophobicContact CE1-CG1 4.03Å; F61-K278 HydrophobicContact CE1-CB 4.48Å; F61-K278 HydrophobicContact CZ-CB 4.05Å; F61-K278 HydrophobicContact CZ-CD 4.35Å; F61-V283 HydrophobicContact CE2-CG2 3.82Å; F61-V283 HydrophobicContact CZ-CG2 4.11Å |
| 62 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -38.3 | -171.5 | -79 | 172 | 0 | 0 | 0 | 113.5 | V52 A54 V59 F65 L66 V83 V91 P92 V144 | V52-L62 HydrophobicContact CG1-CD2 4.39Å; A54-L62 HydrophobicContact CB-CD1 3.54Å; A54-L62 HydrophobicContact CB-CD2 3.68Å; A54-L62 HydrophobicContact CB-CG 3.51Å; V59-L62 HydrophobicContact CB-CD1 4.38Å; V59-L62 WeakPolarHBondContact O-CB 3.12Å; V59-L62 PolarHBondContact O-N 3.09Å; L62-F65 PolarHBondContact O-N 3.23Å; L62-L66 VanDerWaalsContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CB 3.28Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.46Å; L62-V83 HydrophobicContact CD1-CG1 3.92Å; L62-V83 HydrophobicContact CD2-CG1 3.74Å; L62-V83 HydrophobicContact CD2-CG2 4.29Å; L62-V91 HydrophobicContact CD1-CB 4.49Å; L62-V91 HydrophobicContact CD1-CG1 4.43Å; L62-V91 HydrophobicContact CD1-CG2 4.14Å; L62-P92 HydrophobicContact CB-CG 3.84Å; L62-V144 HydrophobicContact CD2-CG2 3.76Å; L62-V144 HydrophobicContact CG-CG2 4.16Å |
| 63 | K | 98.8 | Very high | 98.5 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -52.7 | -175.6 | -174.1 | 177.8 | -177.8 | -67.7 | 0 | 110.7 | F61 E67 P92 | F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.14Å; K63-E67 VanDerWaalsContact CE-OE1 3.31Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 HydrophobicContact CG-CG 4.46Å; K63-E67 IonicContact NZ-OE1 3.73Å; K63-E67 PolarHBondContact NZ-OE1 3.29Å; K63-E67 IonicContact NZ-OE2 2.73Å; K63-E67 PolarHBondContact NZ-OE2 2.82Å; K63-E67 VanDerWaalsContact O-CB 3.29Å; K63-E67 WeakPolarHBondContact O-CB 3.48Å; K63-E67 VanDerWaalsContact O-CG 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.36Å; K63-E67 PolarHBondContact O-N 2.93Å; K63-P92 HydrophobicContact CB-CB 4.16Å; K63-P92 HydrophobicContact CB-CG 4Å; K63-P92 HydrophobicContact CG-CB 4.43Å |
| 64 | L | 98.8 | Very high | 98.5 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 35% | 0.346 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.5 | 179.8 | 62.1 | 0 | 0 | 0 | 111.2 | F61 L66 T68 E147 V276 | F61-L64 PolarHBondContact O-N 3.25Å; L64-L66 PolarHBondContact O-N 3.15Å; L64-T68 HydrophobicContact CD1-CG2 3.88Å; L64-T68 WeakPolarHBondContact O-CB 3.24Å; L64-T68 WeakPolarHBondContact O-CG2 3.39Å; L64-T68 PolarHBondContact O-N 3.49Å; L64-T68 PolarHBondContact O-OG1 3.03Å; L64-E147 HydrophobicContact CD1-CB 4.49Å; L64-E147 HydrophobicContact CD2-CB 4.04Å; L64-E147 HydrophobicContact CG-CB 3.96Å; L64-V276 HydrophobicContact CD2-CG2 3.81Å |
| 65 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -53 | 178 | 176.2 | -88.2 | 0 | 0 | 0 | 111.9 | L50 V52 F61 L62 T68 A69 V142 V144 F148 F273 | L50-F65 HydrophobicContact CD2-CE1 3.94Å; L50-F65 HydrophobicContact CD2-CZ 3.78Å; L50-F65 HydrophobicContact CG-CZ 4.32Å; V52-F65 HydrophobicContact CB-CE1 3.99Å; V52-F65 HydrophobicContact CB-CZ 3.98Å; V52-F65 HydrophobicContact CG1-CD1 4.48Å; V52-F65 HydrophobicContact CG1-CE1 3.9Å; V52-F65 HydrophobicContact CG1-CZ 4.41Å; V52-F65 HydrophobicContact CG2-CD1 4.36Å; V52-F65 HydrophobicContact CG2-CE1 3.97Å; V52-F65 HydrophobicContact CG2-CE2 4.18Å; V52-F65 HydrophobicContact CG2-CZ 3.87Å; F61-F65 WeakPolarHBondContact O-CB 3.41Å; F61-F65 PolarHBondContact O-N 3.44Å; L62-F65 PolarHBondContact O-N 3.23Å; F65-T68 PolarHBondContact O-OG1 3.22Å; F65-T68 VanDerWaalsContact O-OG1 3.1Å; F65-A69 VanDerWaalsContact O-CB 3.28Å; F65-A69 WeakPolarHBondContact O-CB 3.31Å; F65-A69 PolarHBondContact O-N 2.92Å; F65-V142 HydrophobicContact CE2-CG2 3.64Å; F65-V142 HydrophobicContact CZ-CG2 3.51Å; F65-V144 HydrophobicContact CB-CG2 4.39Å; F65-V144 HydrophobicContact CG-CG2 4.39Å; F65-F148 HydrophobicContact CD2-CE2 4.24Å; F65-F148 AromaticContact CE2-CE2 3.84Å; F65-F148 HydrophobicContact CE2-CE2 3.84Å; F65-F148 HydrophobicContact CE2-CZ 4.39Å; F65-F148 HydrophobicContact CZ-CE2 4.04Å; F65-F148 HydrophobicContact CZ-CZ 4.48Å; F65-F273 HydrophobicContact CD2-CE2 4.24Å; F65-F273 HydrophobicContact CD2-CZ 4.48Å; F65-F273 AromaticContact CE2-CE2 3.93Å; F65-F273 HydrophobicContact CE2-CE2 3.93Å; F65-F273 AromaticContact CE2-CZ 3.93Å; F65-F273 HydrophobicContact CE2-CZ 3.93Å |
| 66 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -42 | -177.2 | -68.9 | 171.1 | 0 | 0 | 0 | 112.1 | L62 L64 T68 A69 E70 Y81 P92 V94 L102 | L62-L66 VanDerWaalsContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CB 3.28Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.46Å; L64-L66 PolarHBondContact O-N 3.15Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.48Å; L66-A69 PolarHBondContact O-N 3.24Å; L66-E70 PolarHBondContact O-N 2.81Å; L66-Y81 HydrophobicContact CD2-CD1 3.99Å; L66-Y81 HydrophobicContact CD2-CE1 4.33Å; L66-Y81 HydrophobicContact CD2-CG 4.18Å; L66-P92 HydrophobicContact CD1-CG 4.32Å; L66-V94 HydrophobicContact CB-CB 4.3Å; L66-V94 HydrophobicContact CB-CG1 4.18Å; L66-V94 HydrophobicContact CB-CG2 3.9Å; L66-V94 HydrophobicContact CD1-CG2 4.07Å; L66-L102 HydrophobicContact CD1-CD1 3.73Å; L66-L102 HydrophobicContact CD2-CD1 3.9Å; L66-L102 HydrophobicContact CG-CD1 4.49Å |
| 67 | E | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 178.6 | -75.3 | 178 | 155.7 | 0 | 0 | 112.5 | K63 V94 | K63-E67 VanDerWaalsContact CE-OE1 3.31Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 HydrophobicContact CG-CG 4.46Å; K63-E67 IonicContact NZ-OE1 3.73Å; K63-E67 PolarHBondContact NZ-OE1 3.29Å; K63-E67 IonicContact NZ-OE2 2.73Å; K63-E67 PolarHBondContact NZ-OE2 2.82Å; K63-E67 VanDerWaalsContact O-CB 3.29Å; K63-E67 WeakPolarHBondContact O-CB 3.48Å; K63-E67 VanDerWaalsContact O-CG 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.36Å; K63-E67 PolarHBondContact O-N 2.93Å; E67-V94 HydrophobicContact CG-CG1 3.95Å; E67-V94 HydrophobicContact CG-CG2 4.4Å |
| 68 | T | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.8 | -34.8 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | L64 F65 L66 E70 K71 H72 E147 F148 | L64-T68 HydrophobicContact CD1-CG2 3.88Å; L64-T68 WeakPolarHBondContact O-CB 3.24Å; L64-T68 WeakPolarHBondContact O-CG2 3.39Å; L64-T68 PolarHBondContact O-N 3.49Å; L64-T68 PolarHBondContact O-OG1 3.03Å; F65-T68 PolarHBondContact O-OG1 3.22Å; F65-T68 VanDerWaalsContact O-OG1 3.1Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.48Å; T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 3.03Å; T68-K71 PolarHBondContact O-N 3.3Å; T68-K71 VanDerWaalsContact O-N 3.07Å; T68-H72 PolarHBondContact O-CD2 2.7Å; T68-H72 PolarHBondContact O-N 2.85Å; T68-E147 HydrophobicContact CG2-CB 4.29Å; T68-F148 VanDerWaalsContact CB-O 3.24Å; T68-F148 WeakPolarHBondContact CB-O 3.27Å; T68-F148 WeakPolarHBondContact CG2-O 3.35Å; T68-F148 PolarHBondContact OG1-N 3.12Å |
| 69 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F65 L66 K71 H72 F73 Y81 F148 | F65-A69 VanDerWaalsContact O-CB 3.28Å; F65-A69 WeakPolarHBondContact O-CB 3.31Å; F65-A69 PolarHBondContact O-N 2.92Å; L66-A69 PolarHBondContact O-N 3.24Å; A69-K71 PolarHBondContact O-N 3.36Å; A69-H72 PolarHBondContact O-N 2.82Å; A69-F73 HydrophobicContact CB-CB 4.12Å; A69-F73 WeakPolarHBondContact O-CA 3.41Å; A69-F73 VanDerWaalsContact O-CB 3.27Å; A69-F73 WeakPolarHBondContact O-CB 3.21Å; A69-F73 PolarHBondContact O-N 3.43Å; A69-Y81 HydrophobicContact CB-CE1 3.92Å; A69-F148 HydrophobicContact CB-CD2 3.78Å; A69-F148 HydrophobicContact CB-CE2 3.65Å; A69-F148 HydrophobicContact CB-CZ 4.45Å |
| 70 | E | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -28.8 | 175.5 | -78.1 | -59 | 110 | 0 | 0 | 113.8 | L66 T68 Y81 L96 G97 R100 | L66-E70 PolarHBondContact O-N 2.81Å; T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 3.03Å; E70-Y81 WeakPolarHBondContact OE1-CE2 3.43Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.24Å; E70-Y81 PolarHBondContact OE1-OH 3.13Å; E70-L96 HydrophobicContact CG-CD2 4.05Å; E70-L96 WeakPolarHBondContact OE2-CA 3.15Å; E70-G97 PolarHBondContact OE2-N 3.37Å; E70-R100 IonicContact OE1-CZ 3.69Å; E70-R100 IonicContact OE1-NE 2.63Å; E70-R100 PolarHBondContact OE1-NE 3.22Å; E70-R100 IonicContact OE1-NH2 3.74Å; E70-R100 WeakPolarHBondContact OE2-CD 3.36Å; E70-R100 IonicContact OE2-NE 2.89Å; E70-R100 PolarHBondContact OE2-NE 3.38Å |
| 71 | K | 98.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 37.1 Ų | 37.1 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -85.1 | -26.8 | -179.9 | -65.5 | 174.5 | -175.7 | 176.1 | 0 | 113.4 | T68 A69 V75 | T68-K71 PolarHBondContact O-N 3.3Å; T68-K71 VanDerWaalsContact O-N 3.07Å; A69-K71 PolarHBondContact O-N 3.36Å; K71-V75 WeakPolarHBondContact O-CG2 3.46Å |
| 72 | H | 98.9 | Very high | 98.8 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 22% | 0.222 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -133.2 | -23.1 | -160.5 | -65.7 | -56 | 0 | 0 | 0 | 114.9 | T68 A69 F148 D150 V152 | T68-H72 PolarHBondContact O-CD2 2.7Å; T68-H72 PolarHBondContact O-N 2.85Å; A69-H72 PolarHBondContact O-N 2.82Å; H72-F148 HydrophobicContact CB-CB 3.68Å; H72-F148 HydrophobicContact CB-CG 4.44Å; H72-F148 PolarHBondContact CD2-O 2.71Å; H72-F148 VanDerWaalsContact CD2-O 3.3Å; H72-D150 WeakPolarHBondContact CB-O 3.27Å; H72-V152 PolarHBondContact O-N 3.47Å; H72-V152 VanDerWaalsContact O-O 3.14Å |
| 73 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 113.1 | -174.1 | -178.2 | -103.5 | 0 | 0 | 0 | 111.2 | I48 L50 A69 V75 V79 R100 V140 F148 V152 | I48-F73 HydrophobicContact CG2-CE1 4.21Å; I48-F73 HydrophobicContact CG2-CZ 3.81Å; L50-F73 HydrophobicContact CB-CE1 3.84Å; L50-F73 HydrophobicContact CB-CZ 4.09Å; L50-F73 HydrophobicContact CD1-CE1 4.35Å; L50-F73 HydrophobicContact CD1-CE2 4.16Å; L50-F73 HydrophobicContact CD1-CZ 3.9Å; L50-F73 HydrophobicContact CD2-CD1 4Å; L50-F73 HydrophobicContact CD2-CE1 4Å; L50-F73 HydrophobicContact CD2-CG 4.32Å; L50-F73 HydrophobicContact CD2-CZ 4.32Å; L50-F73 HydrophobicContact CG-CE1 4.29Å; L50-F73 HydrophobicContact CG-CZ 4.34Å; A69-F73 HydrophobicContact CB-CB 4.12Å; A69-F73 WeakPolarHBondContact O-CA 3.41Å; A69-F73 VanDerWaalsContact O-CB 3.27Å; A69-F73 WeakPolarHBondContact O-CB 3.21Å; A69-F73 PolarHBondContact O-N 3.43Å; F73-V75 PolarHBondContact O-N 3.48Å; F73-V75 VanDerWaalsContact O-N 3.09Å; F73-V79 HydrophobicContact CD1-CG1 4.18Å; F73-V79 HydrophobicContact CD1-CG2 4.27Å; F73-V79 HydrophobicContact CE1-CG1 4.01Å; F73-V79 HydrophobicContact CE1-CG2 4.18Å; F73-R100 PolarHBondContact O-NH1 2.89Å; F73-R100 PolarHBondContact O-NH2 2.71Å; F73-V140 HydrophobicContact CE2-CB 4.38Å; F73-V140 HydrophobicContact CE2-CG1 4.21Å; F73-V140 HydrophobicContact CE2-CG2 4.27Å; F73-V140 HydrophobicContact CZ-CB 4.14Å; F73-V140 HydrophobicContact CZ-CG1 4.43Å; F73-V140 HydrophobicContact CZ-CG2 4.06Å; F73-F148 HydrophobicContact CB-CD1 4.44Å; F73-F148 HydrophobicContact CB-CE1 4.16Å; F73-F148 HydrophobicContact CB-CZ 4.34Å; F73-F148 AromaticContact CD2-CE1 3.95Å; F73-F148 HydrophobicContact CD2-CE1 3.95Å; F73-F148 HydrophobicContact CD2-CZ 4.21Å; F73-F148 HydrophobicContact CG-CE1 4.41Å; F73-F148 HydrophobicContact CG-CZ 4.46Å; F73-V152 WeakPolarHBondContact CA-O 3.44Å; F73-V152 HydrophobicContact CD2-CB 4.35Å; F73-V152 HydrophobicContact CD2-CG1 3.98Å; F73-V152 HydrophobicContact CE2-CG1 4.33Å |
| 74 | M | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 52.1 | 37.4 | 171.2 | -56.5 | -68.8 | 174.5 | 0 | 0 | 112.9 | I48 G76 H77 V79 R100 V152 G153 V154 I156 L157 | I48-M74 HydrophobicContact CB-CG 4.29Å; I48-M74 HydrophobicContact CD1-CB 4.39Å; I48-M74 HydrophobicContact CD1-CG 4.29Å; I48-M74 HydrophobicContact CD1-SD 4.19Å; I48-M74 HydrophobicContact CG1-CE 4.45Å; I48-M74 HydrophobicContact CG1-CG 4.19Å; I48-M74 HydrophobicContact CG1-SD 4.07Å; I48-M74 HydrophobicContact CG2-CE 4.3Å; I48-M74 HydrophobicContact CG2-CG 4.28Å; M74-G76 PolarHBondContact O-N 2.81Å; M74-H77 HydrophobicContact CB-CB 4.39Å; M74-H77 PolarHBondContact O-N 2.63Å; M74-V79 HydrophobicContact CB-CG2 3.65Å; M74-V79 HydrophobicContact CG-CG2 4.45Å; M74-R100 PolarHBondContact O-NH1 3.48Å; M74-V152 PolarHBondContact N-O 2.63Å; M74-G153 VanDerWaalsContact CE-C 3.5Å; M74-G153 WeakPolarHBondContact CE-O 3.31Å; M74-V154 HydrophobicContact SD-CG1 3.93Å; M74-I156 HydrophobicContact CE-CD1 3.54Å; M74-I156 HydrophobicContact CE-CG1 3.67Å; M74-L157 HydrophobicContact CE-CD1 4.48Å; M74-L157 HydrophobicContact CE-CD2 3.74Å; M74-L157 HydrophobicContact CE-CG 4.04Å; M74-L157 HydrophobicContact SD-CD1 4.49Å |
| 75 | V | 98.7 | Very high | 98.8 | Very high | 82 Ų | 82 | 27.7 Ų | 27.7 | 50% | 0.497 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132.3 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | K71 F73 H77 | K71-V75 WeakPolarHBondContact O-CG2 3.46Å; F73-V75 PolarHBondContact O-N 3.48Å; F73-V75 VanDerWaalsContact O-N 3.09Å; V75-H77 VanDerWaalsContact C-N 3.33Å |
| 76 | G | 98 | Very high | 98.8 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 66% | 0.66 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | M74 | M74-G76 PolarHBondContact O-N 2.81Š|
| 77 | H | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.069 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -114.2 | 165.1 | 173.5 | -61.6 | -92.7 | 0 | 0 | 0 | 111.2 | N38 I48 M74 V75 V154 | N38-H77 PolarHBondContact OD1-NE2 2.98Å; I48-H77 HydrophobicContact CD1-CB 3.86Å; M74-H77 HydrophobicContact CB-CB 4.39Å; M74-H77 PolarHBondContact O-N 2.63Å; V75-H77 VanDerWaalsContact C-N 3.33Å; H77-V154 VanDerWaalsContact CE1-CG1 3.42Å; H77-V154 WeakPolarHBondContact CE1-CG1 3.43Å; H77-V154 WeakPolarHBondContact NE2-CG1 3.14Å |
| 78 | R | 98.9 | Very high | 98.7 | Very high | 107 Ų | 107 | 32 Ų | 32 | 40% | 0.404 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.6 | 177.9 | -61.2 | 171.4 | 56.9 | 77 | 3.3 | 109.4 | N45 T47 I48 G99 | N45-R78 VanDerWaalsContact OD1-CD 3.26Å; N45-R78 WeakPolarHBondContact OD1-CD 3.31Å; T47-R78 WeakPolarHBondContact CA-O 3.24Å; T47-R78 HydrophobicContact CG2-CB 3.89Å; T47-R78 WeakPolarHBondContact OG1-CD 3.34Å; T47-R78 PolarHBondContact OG1-NE 3.43Å; I48-R78 PolarHBondContact N-O 2.97Å; R78-G99 WeakPolarHBondContact CA-O 3.39Å |
| 79 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137 | -178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | I48 F73 M74 Y81 G99 R100 Q101 | I48-V79 WeakPolarHBondContact O-CA 3.46Å; F73-V79 HydrophobicContact CD1-CG1 4.18Å; F73-V79 HydrophobicContact CD1-CG2 4.27Å; F73-V79 HydrophobicContact CE1-CG1 4.01Å; F73-V79 HydrophobicContact CE1-CG2 4.18Å; M74-V79 HydrophobicContact CB-CG2 3.65Å; M74-V79 HydrophobicContact CG-CG2 4.45Å; V79-Y81 HydrophobicContact CG1-CD1 4.26Å; V79-Y81 HydrophobicContact CG1-CD2 4.17Å; V79-Y81 HydrophobicContact CG1-CE1 3.98Å; V79-Y81 HydrophobicContact CG1-CE2 3.89Å; V79-Y81 HydrophobicContact CG1-CG 4.36Å; V79-G99 PolarHBondContact N-O 3.44Å; V79-R100 HydrophobicContact CB-CB 4.47Å; V79-R100 HydrophobicContact CB-CG 4.26Å; V79-R100 CarbonylContact O-C 3.59Å; V79-R100 VanDerWaalsContact O-CA 3.27Å; V79-R100 WeakPolarHBondContact O-CA 3.32Å; V79-Q101 PolarHBondContact O-N 3.17Å |
| 80 | H | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.3 | 170.7 | -160.1 | 155.5 | 0 | 0 | 0 | 109.7 | I48 G49 L50 Y82 Q101 S103 E135 V136 | I48-H80 PolarHBondContact O-N 3.29Å; G49-H80 CarbonylContact C-O 3.55Å; G49-H80 VanDerWaalsContact CA-O 3.28Å; G49-H80 WeakPolarHBondContact CA-O 3.32Å; L50-H80 PolarHBondContact N-O 3.06Å; H80-Y82 HydrophobicContact CB-CE2 3.96Å; H80-Y82 AromaticContact CD2-CE1 3.6Å; H80-Y82 AromaticContact CD2-CZ 3.7Å; H80-Y82 AromaticContact CE1-CE1 3.55Å; H80-Y82 AromaticContact CE1-CZ 3.74Å; H80-Y82 AromaticContact CG-CE1 3.87Å; H80-Y82 AromaticContact CG-CE2 3.94Å; H80-Y82 AromaticContact CG-CZ 3.49Å; H80-Y82 VanDerWaalsContact CG-CZ 3.49Å; H80-Y82 AromaticContact ND1-CE1 3.88Å; H80-Y82 AromaticContact ND1-CZ 3.57Å; H80-Y82 PolarHBondContact ND1-OH 3.31Å; H80-Y82 VanDerWaalsContact ND1-OH 3.16Å; H80-Y82 AromaticContact NE2-CD1 3.97Å; H80-Y82 AromaticContact NE2-CE1 3.39Å; H80-Y82 WeakPolarHBondContact NE2-CE1 3.44Å; H80-Y82 AromaticContact NE2-CZ 3.85Å; H80-Y82 WeakPolarHBondContact O-CD2 3.35Å; H80-Q101 CarbonylContact C-O 3.59Å; H80-Q101 WeakPolarHBondContact CA-O 3.44Å; H80-Q101 HydrophobicContact CB-CG 4.18Å; H80-Q101 PolarHBondContact CE1-NE2 2.96Å; H80-Q101 PolarHBondContact ND1-NE2 3.36Å; H80-S103 PolarHBondContact NE2-OG 3.42Å; H80-E135 IonicContact CE1-OE2 2.8Å; H80-E135 PolarHBondContact CE1-OE2 2.81Å; H80-E135 VanDerWaalsContact CE1-OE2 3.23Å; H80-E135 IonicContact ND1-OE2 3.86Å; H80-V136 HydrophobicContact CB-CG1 3.95Å |
| 81 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.5 | 173 | -58.9 | -78.3 | 0 | 0 | 0 | 110.7 | L50 L66 A69 E70 V79 L96 R100 Q101 L102 S103 | L50-Y81 HydrophobicContact CB-CD1 4Å; L50-Y81 HydrophobicContact CB-CE1 4.45Å; L50-Y81 HydrophobicContact CD2-CD1 3.77Å; L50-Y81 HydrophobicContact CD2-CE1 3.67Å; L50-Y81 HydrophobicContact CG-CD1 4.34Å; L66-Y81 HydrophobicContact CD2-CD1 3.99Å; L66-Y81 HydrophobicContact CD2-CE1 4.33Å; L66-Y81 HydrophobicContact CD2-CG 4.18Å; A69-Y81 HydrophobicContact CB-CE1 3.92Å; E70-Y81 WeakPolarHBondContact OE1-CE2 3.43Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.24Å; E70-Y81 PolarHBondContact OE1-OH 3.13Å; V79-Y81 HydrophobicContact CG1-CD1 4.26Å; V79-Y81 HydrophobicContact CG1-CD2 4.17Å; V79-Y81 HydrophobicContact CG1-CE1 3.98Å; V79-Y81 HydrophobicContact CG1-CE2 3.89Å; V79-Y81 HydrophobicContact CG1-CG 4.36Å; Y81-L96 HydrophobicContact CD2-CD1 4.47Å; Y81-L96 HydrophobicContact CD2-CD2 4.32Å; Y81-L96 HydrophobicContact CE2-CD2 3.97Å; Y81-R100 PolarHBondContact OH-NH2 3.35Å; Y81-Q101 WeakPolarHBondContact CD2-O 3.39Å; Y81-Q101 PolarHBondContact N-O 3.47Å; Y81-L102 HydrophobicContact CD2-CB 4.38Å; Y81-L102 CarbonylContact O-C 3.43Å; Y81-L102 WeakPolarHBondContact O-CA 3.32Å; Y81-S103 PolarHBondContact O-N 3.49Å |
| 82 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 101.2 | 173.9 | -60 | -76.3 | 0 | 0 | 0 | 109.1 | L50 T51 V52 H80 L105 F132 E135 V136 | L50-Y82 PolarHBondContact O-N 2.67Å; T51-Y82 WeakPolarHBondContact CA-O 3.26Å; T51-Y82 HydrophobicContact CG2-CD2 4.28Å; V52-Y82 PolarHBondContact N-O 3.07Å; H80-Y82 HydrophobicContact CB-CE2 3.96Å; H80-Y82 AromaticContact CD2-CE1 3.6Å; H80-Y82 AromaticContact CD2-CZ 3.7Å; H80-Y82 AromaticContact CE1-CE1 3.55Å; H80-Y82 AromaticContact CE1-CZ 3.74Å; H80-Y82 AromaticContact CG-CE1 3.87Å; H80-Y82 AromaticContact CG-CE2 3.94Å; H80-Y82 AromaticContact CG-CZ 3.49Å; H80-Y82 VanDerWaalsContact CG-CZ 3.49Å; H80-Y82 AromaticContact ND1-CE1 3.88Å; H80-Y82 AromaticContact ND1-CZ 3.57Å; H80-Y82 PolarHBondContact ND1-OH 3.31Å; H80-Y82 VanDerWaalsContact ND1-OH 3.16Å; H80-Y82 AromaticContact NE2-CD1 3.97Å; H80-Y82 AromaticContact NE2-CE1 3.39Å; H80-Y82 WeakPolarHBondContact NE2-CE1 3.44Å; H80-Y82 AromaticContact NE2-CZ 3.85Å; H80-Y82 WeakPolarHBondContact O-CD2 3.35Å; Y82-L105 HydrophobicContact CD1-CD1 4.05Å; Y82-L105 HydrophobicContact CG-CD1 4.41Å; Y82-F132 HydrophobicContact CD1-CD1 4.34Å; Y82-F132 AromaticContact CD1-CE1 3.62Å; Y82-F132 HydrophobicContact CD1-CE1 3.62Å; Y82-F132 HydrophobicContact CD2-CD1 4.07Å; Y82-F132 AromaticContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CZ 4.3Å; Y82-F132 AromaticContact CE1-CD1 3.94Å; Y82-F132 HydrophobicContact CE1-CD1 3.94Å; Y82-F132 AromaticContact CE1-CE1 3.68Å; Y82-F132 HydrophobicContact CE1-CE1 3.68Å; Y82-F132 AromaticContact CE2-CD1 3.65Å; Y82-F132 HydrophobicContact CE2-CD1 3.65Å; Y82-F132 AromaticContact CE2-CE1 3.64Å; Y82-F132 HydrophobicContact CE2-CE1 3.64Å; Y82-F132 HydrophobicContact CG-CD1 4.37Å; Y82-F132 AromaticContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CZ 4.22Å; Y82-F132 AromaticContact CZ-CD1 3.56Å; Y82-F132 AromaticContact CZ-CE1 3.68Å; Y82-E135 WeakPolarHBondContact CE1-OE2 3.44Å; Y82-E135 VanDerWaalsContact CZ-OE2 3.27Å; Y82-E135 VanDerWaalsContact OH-CB 3.26Å; Y82-E135 WeakPolarHBondContact OH-CB 3.45Å; Y82-E135 PolarHBondContact OH-OE2 3.42Å; Y82-V136 HydrophobicContact CE2-CG1 4.12Å |
| 83 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 105.9 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | V52 L62 V91 L102 S103 L105 | V52-V83 HydrophobicContact CG1-CB 4.49Å; V52-V83 HydrophobicContact CG1-CG2 3.95Å; L62-V83 HydrophobicContact CD1-CG1 3.92Å; L62-V83 HydrophobicContact CD2-CG1 3.74Å; L62-V83 HydrophobicContact CD2-CG2 4.29Å; V83-V91 HydrophobicContact CG1-CG1 4.42Å; V83-V91 HydrophobicContact CG1-CG2 3.99Å; V83-L102 HydrophobicContact CG2-CD1 3.92Å; V83-L102 HydrophobicContact CG2-CD2 4.24Å; V83-L102 HydrophobicContact CG2-CG 4.11Å; V83-S103 PolarHBondContact N-O 3.47Å; V83-L105 PolarHBondContact O-N 3.31Å |
| 84 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.7 | 172.9 | -69.1 | -98.2 | 0 | 0 | 0 | 109.7 | T51 V52 F53 A54 L105 V107 M123 F127 F132 | T51-F84 HydrophobicContact CG2-CE2 4.13Å; V52-F84 PolarHBondContact O-N 3.08Å; F53-F84 HydrophobicContact CD1-CB 3.33Å; F53-F84 HydrophobicContact CD1-CD1 4.48Å; F53-F84 AromaticContact CD1-CG 3.92Å; F53-F84 HydrophobicContact CD1-CG 3.92Å; F53-F84 HydrophobicContact CD2-CB 4.35Å; F53-F84 HydrophobicContact CD2-CD2 4.3Å; F53-F84 HydrophobicContact CD2-CG 4.48Å; F53-F84 HydrophobicContact CE1-CB 3.36Å; F53-F84 AromaticContact CE1-CD1 3.64Å; F53-F84 HydrophobicContact CE1-CD1 3.64Å; F53-F84 HydrophobicContact CE1-CD2 4.04Å; F53-F84 HydrophobicContact CE1-CE1 4.37Å; F53-F84 AromaticContact CE1-CG 3.42Å; F53-F84 HydrophobicContact CE1-CG 3.42Å; F53-F84 VanDerWaalsContact CE1-CG 3.42Å; F53-F84 HydrophobicContact CE2-CB 4.39Å; F53-F84 AromaticContact CE2-CD2 3.81Å; F53-F84 HydrophobicContact CE2-CD2 3.81Å; F53-F84 HydrophobicContact CE2-CE2 4.21Å; F53-F84 HydrophobicContact CE2-CG 4.07Å; F53-F84 HydrophobicContact CG-CB 3.85Å; F53-F84 HydrophobicContact CG-CG 4.41Å; F53-F84 HydrophobicContact CZ-CB 3.93Å; F53-F84 AromaticContact CZ-CD1 3.77Å; F53-F84 HydrophobicContact CZ-CD1 3.77Å; F53-F84 AromaticContact CZ-CD2 3.67Å; F53-F84 HydrophobicContact CZ-CD2 3.67Å; F53-F84 HydrophobicContact CZ-CE1 4.1Å; F53-F84 HydrophobicContact CZ-CE2 4.03Å; F53-F84 AromaticContact CZ-CG 3.52Å; F53-F84 HydrophobicContact CZ-CG 3.52Å; F53-F84 HydrophobicContact CZ-CZ 4.22Å; A54-F84 PolarHBondContact N-O 2.99Å; F84-L105 WeakPolarHBondContact CA-O 3.48Å; F84-L105 HydrophobicContact CD1-CB 3.97Å; F84-L105 HydrophobicContact CD1-CD1 4.14Å; F84-L105 HydrophobicContact CD2-CD1 4.2Å; F84-L105 HydrophobicContact CE1-CB 4.2Å; F84-L105 HydrophobicContact CE1-CD1 3.66Å; F84-L105 HydrophobicContact CE2-CD1 3.71Å; F84-L105 HydrophobicContact CG-CB 4.32Å; F84-L105 HydrophobicContact CG-CD1 4.4Å; F84-L105 HydrophobicContact CZ-CD1 3.43Å; F84-L105 VanDerWaalsContact CZ-CD1 3.43Å; F84-V107 HydrophobicContact CB-CG2 4.26Å; F84-V107 HydrophobicContact CD1-CG1 3.84Å; F84-M123 HydrophobicContact CD1-CB 4.44Å; F84-M123 HydrophobicContact CE1-CB 4.19Å; F84-F127 HydrophobicContact CD1-CE2 4.48Å; F84-F127 AromaticContact CE1-CD2 3.49Å; F84-F127 HydrophobicContact CE1-CD2 3.49Å; F84-F127 VanDerWaalsContact CE1-CD2 3.49Å; F84-F127 AromaticContact CE1-CE2 3.65Å; F84-F127 HydrophobicContact CE1-CE2 3.65Å; F84-F127 AromaticContact CE1-CG 3.97Å; F84-F127 HydrophobicContact CE1-CG 3.97Å; F84-F127 HydrophobicContact CE1-CZ 4.31Å; F84-F127 HydrophobicContact CZ-CB 4.15Å; F84-F127 AromaticContact CZ-CD2 3.94Å; F84-F127 HydrophobicContact CZ-CD2 3.94Å; F84-F127 HydrophobicContact CZ-CE2 4.46Å; F84-F127 AromaticContact CZ-CG 3.97Å; F84-F127 HydrophobicContact CZ-CG 3.97Å; F84-F132 HydrophobicContact CE2-CZ 4.18Å; F84-F132 AromaticContact CZ-CZ 3.9Å; F84-F132 HydrophobicContact CZ-CZ 3.9Å |
| 85 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.6 | -176.8 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | A54 Q87 P88 V91 V104 L105 E106 V107 | A54-T85 WeakPolarHBondContact O-CA 3.5Å; A54-T85 VanDerWaalsContact O-CB 3.28Å; A54-T85 WeakPolarHBondContact O-CB 3.01Å; A54-T85 PolarHBondContact O-OG1 2.77Å; T85-Q87 VanDerWaalsContact C-N 3.33Å; T85-Q87 PolarHBondContact OG1-N 2.77Å; T85-Q87 VanDerWaalsContact OG1-N 3.08Å; T85-P88 HydrophobicContact CG2-CG 4.42Å; T85-V91 HydrophobicContact CG2-CG2 3.83Å; T85-V104 HydrophobicContact CG2-CG1 3.69Å; T85-L105 PolarHBondContact N-O 2.95Å; T85-E106 VanDerWaalsContact O-CA 3.31Å; T85-E106 WeakPolarHBondContact O-CA 3.45Å; T85-V107 PolarHBondContact O-N 2.89Å |
| 86 | D | 98.3 | Very high | 98.5 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -88.9 | -3.1 | 167.7 | 64.2 | -35.7 | 0 | 0 | 0 | 112.4 | I55 K56 V107 A109 | I55-D86 WeakPolarHBondContact CA-OD1 3.46Å; I55-D86 HydrophobicContact CD1-CB 4.37Å; K56-D86 PolarHBondContact N-OD1 3.13Å; K56-D86 PolarHBondContact N-OD2 2.93Å; D86-V107 WeakPolarHBondContact CA-O 3.26Å; D86-A109 HydrophobicContact CB-CB 3.78Å; D86-A109 WeakPolarHBondContact OD2-CB 3.38Å |
| 87 | Q | 98.3 | Very high | 98.5 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | trans | -134.9 | 73.7 | -176 | -66.2 | 158.7 | 81.3 | 0 | 0 | 110.6 | K56 V59 T85 A89 A90 | K56-Q87 VanDerWaalsContact C-NE2 3.34Å; K56-Q87 PolarHBondContact O-NE2 2.91Å; V59-Q87 HydrophobicContact CG1-CB 4.31Å; T85-Q87 VanDerWaalsContact C-N 3.33Å; T85-Q87 PolarHBondContact OG1-N 2.77Å; T85-Q87 VanDerWaalsContact OG1-N 3.08Å; Q87-A89 PolarHBondContact O-N 3.48Å; Q87-A89 VanDerWaalsContact O-N 3.12Å; Q87-A90 HydrophobicContact CB-CB 3.8Å; Q87-A90 WeakPolarHBondContact O-CB 3.43Å; Q87-A90 PolarHBondContact O-N 2.77Å | ||
| 88 | P | 98.5 | Very high | 98.5 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54.9 | -35.9 | -177.1 | -28.1 | 36 | 0 | 0 | 0 | 114 | T85 A90 V91 V104 E106 | T85-P88 HydrophobicContact CG2-CG 4.42Å; P88-A90 PolarHBondContact O-N 3.15Å; P88-V91 WeakPolarHBondContact O-CG2 3.41Å; P88-V91 PolarHBondContact O-N 2.88Å; P88-V104 HydrophobicContact CB-CG1 3.91Å; P88-V104 HydrophobicContact CG-CG1 4.45Å; P88-E106 HydrophobicContact CG-CB 3.91Å; P88-E106 HydrophobicContact CG-CG 3.76Å |
| 89 | A | 98.3 | Very high | 98.4 | Very high | 107 Ų | 107 | 50.7 Ų | 50.7 | 88% | 0.884 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -69.7 | -17.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q87 | Q87-A89 PolarHBondContact O-N 3.48Å; Q87-A89 VanDerWaalsContact O-N 3.12Å |
| 90 | A | 98.3 | Very high | 98.4 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -86.6 | -7.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V59 Q87 P88 | V59-A90 HydrophobicContact CB-CB 4.08Å; V59-A90 HydrophobicContact CG1-CB 4.16Å; V59-A90 HydrophobicContact CG2-CB 4.01Å; Q87-A90 HydrophobicContact CB-CB 3.8Å; Q87-A90 WeakPolarHBondContact O-CB 3.43Å; Q87-A90 PolarHBondContact O-N 2.77Å; P88-A90 PolarHBondContact O-N 3.15Å |
| 91 | V | 98.7 | Very high | 98.4 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -67.5 | 122.8 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | L62 V83 T85 P88 L102 V104 | L62-V91 HydrophobicContact CD1-CB 4.49Å; L62-V91 HydrophobicContact CD1-CG1 4.43Å; L62-V91 HydrophobicContact CD1-CG2 4.14Å; V83-V91 HydrophobicContact CG1-CG1 4.42Å; V83-V91 HydrophobicContact CG1-CG2 3.99Å; T85-V91 HydrophobicContact CG2-CG2 3.83Å; P88-V91 WeakPolarHBondContact O-CG2 3.41Å; P88-V91 PolarHBondContact O-N 2.88Å; V91-L102 HydrophobicContact CG1-CD2 4.41Å; V91-V104 HydrophobicContact CB-CG2 4.14Å; V91-V104 HydrophobicContact CG1-CG2 3.99Å; V91-V104 HydrophobicContact CG2-CG1 3.9Å; V91-V104 HydrophobicContact CG2-CG2 3.97Å |
| 92 | P | 98.1 | Very high | 98.4 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 21% | 0.214 | 35% | 0.345 | C | S | . | . | trans | -69.5 | 146.5 | -175.7 | 28.6 | -34.5 | 0 | 0 | 0 | 111.4 | L62 K63 L66 V94 | L62-P92 HydrophobicContact CB-CG 3.84Å; K63-P92 HydrophobicContact CB-CB 4.16Å; K63-P92 HydrophobicContact CB-CG 4Å; K63-P92 HydrophobicContact CG-CB 4.43Å; L66-P92 HydrophobicContact CD1-CG 4.32Å; P92-V94 HydrophobicContact CB-CG2 4.26Å; P92-V94 HydrophobicContact CG-CG2 4.13Å; P92-V94 PolarHBondContact O-N 3.5Å | ||
| 93 | R | 97.4 | Very high | 98.4 | Very high | 256 Ų | 256 | 60.2 Ų | 60.2 | 97% | 0.966 | 35% | 0.353 | S | S | * | . | trans | -76.2 | 107.1 | 168 | -65.5 | -178.4 | -176.7 | 156.3 | 1 | 108.7 | ||||
| 94 | V | 98 | Very high | 98.4 | Very high | 27 Ų | 27 | 63 Ų | 63 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | trans | -111.3 | 136.8 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 109 | L66 E67 P92 L96 | L66-V94 HydrophobicContact CB-CB 4.3Å; L66-V94 HydrophobicContact CB-CG1 4.18Å; L66-V94 HydrophobicContact CB-CG2 3.9Å; L66-V94 HydrophobicContact CD1-CG2 4.07Å; E67-V94 HydrophobicContact CG-CG1 3.95Å; E67-V94 HydrophobicContact CG-CG2 4.4Å; P92-V94 HydrophobicContact CB-CG2 4.26Å; P92-V94 HydrophobicContact CG-CG2 4.13Å; P92-V94 PolarHBondContact O-N 3.5Å; V94-L96 HydrophobicContact CG1-CD2 4.43Å; V94-L96 PolarHBondContact O-N 3Å | ||
| 95 | T | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 80% | 0.798 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 121.8 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 96 | L | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 142.2 | 177.8 | -53.2 | -177.9 | 0 | 0 | 0 | 110.9 | E70 Y81 V94 R100 L102 | E70-L96 HydrophobicContact CG-CD2 4.05Å; E70-L96 WeakPolarHBondContact OE2-CA 3.15Å; Y81-L96 HydrophobicContact CD2-CD1 4.47Å; Y81-L96 HydrophobicContact CD2-CD2 4.32Å; Y81-L96 HydrophobicContact CE2-CD2 3.97Å; V94-L96 HydrophobicContact CG1-CD2 4.43Å; V94-L96 PolarHBondContact O-N 3Å; L96-R100 HydrophobicContact CB-CB 4.33Å; L96-L102 HydrophobicContact CD1-CB 3.85Å |
| 97 | G | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 165.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E70 R100 | E70-G97 PolarHBondContact OE2-N 3.37Å; G97-R100 WeakPolarHBondContact O-CB 3.44Å; G97-R100 PolarHBondContact O-N 2.85Å |
| 98 | T | 97.9 | Very high | 97.9 | Very high | 152 Ų | 152 | 68.5 Ų | 68.5 | 93% | 0.933 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139.4 | 178 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | R100 | T98-R100 VanDerWaalsContact C-N 3.26Å; T98-R100 PolarHBondContact O-N 3.29Å |
| 99 | G | 97.8 | Very high | 97.5 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R78 V79 | R78-G99 WeakPolarHBondContact CA-O 3.39Å; V79-G99 PolarHBondContact N-O 3.44Å |
| 100 | R | 98.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.9 | 179.7 | -49 | 175.8 | 72.7 | 89.4 | -11.1 | 109.8 | E70 F73 M74 V79 Y81 L96 G97 T98 | E70-R100 IonicContact OE1-CZ 3.69Å; E70-R100 IonicContact OE1-NE 2.63Å; E70-R100 PolarHBondContact OE1-NE 3.22Å; E70-R100 IonicContact OE1-NH2 3.74Å; E70-R100 WeakPolarHBondContact OE2-CD 3.36Å; E70-R100 IonicContact OE2-NE 2.89Å; E70-R100 PolarHBondContact OE2-NE 3.38Å; F73-R100 PolarHBondContact O-NH1 2.89Å; F73-R100 PolarHBondContact O-NH2 2.71Å; M74-R100 PolarHBondContact O-NH1 3.48Å; V79-R100 HydrophobicContact CB-CB 4.47Å; V79-R100 HydrophobicContact CB-CG 4.26Å; V79-R100 CarbonylContact O-C 3.59Å; V79-R100 VanDerWaalsContact O-CA 3.27Å; V79-R100 WeakPolarHBondContact O-CA 3.32Å; Y81-R100 PolarHBondContact OH-NH2 3.35Å; L96-R100 HydrophobicContact CB-CB 4.33Å; G97-R100 WeakPolarHBondContact O-CB 3.44Å; G97-R100 PolarHBondContact O-N 2.85Å; T98-R100 VanDerWaalsContact C-N 3.26Å; T98-R100 PolarHBondContact O-N 3.29Å |
| 101 | Q | 98.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.1 | -178.5 | 65.7 | -173.5 | 8.2 | 0 | 0 | 111.4 | V79 H80 Y81 | V79-Q101 PolarHBondContact O-N 3.17Å; H80-Q101 CarbonylContact C-O 3.59Å; H80-Q101 WeakPolarHBondContact CA-O 3.44Å; H80-Q101 HydrophobicContact CB-CG 4.18Å; H80-Q101 PolarHBondContact CE1-NE2 2.96Å; H80-Q101 PolarHBondContact ND1-NE2 3.36Å; Y81-Q101 WeakPolarHBondContact CD2-O 3.39Å; Y81-Q101 PolarHBondContact N-O 3.47Å |
| 102 | L | 98.8 | Very high | 96.7 | Very high | 52 Ų | 52 | 77.9 Ų | 77.9 | 27% | 0.272 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.4 | 180 | -175.7 | 152.8 | 0 | 0 | 0 | 109.9 | L66 Y81 V83 V91 L96 V104 | L66-L102 HydrophobicContact CD1-CD1 3.73Å; L66-L102 HydrophobicContact CD2-CD1 3.9Å; L66-L102 HydrophobicContact CG-CD1 4.49Å; Y81-L102 HydrophobicContact CD2-CB 4.38Å; Y81-L102 CarbonylContact O-C 3.43Å; Y81-L102 WeakPolarHBondContact O-CA 3.32Å; V83-L102 HydrophobicContact CG2-CD1 3.92Å; V83-L102 HydrophobicContact CG2-CD2 4.24Å; V83-L102 HydrophobicContact CG2-CG 4.11Å; V91-L102 HydrophobicContact CG1-CD2 4.41Å; L96-L102 HydrophobicContact CD1-CB 3.85Å; L102-V104 HydrophobicContact CD2-CG2 3.71Å |
| 103 | S | 98.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 79.5 Ų | 79.5 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131 | 170.1 | -70.8 | 0 | 0 | 0 | 0 | 110 | H80 Y81 V83 | H80-S103 PolarHBondContact NE2-OG 3.42Å; Y81-S103 PolarHBondContact O-N 3.49Å; V83-S103 PolarHBondContact N-O 3.47Å |
| 104 | V | 98.7 | Very high | 96.3 | Very high | 58 Ų | 58 | 69.1 Ų | 69.1 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.8 | 172 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | T85 P88 V91 L102 | T85-V104 HydrophobicContact CG2-CG1 3.69Å; P88-V104 HydrophobicContact CB-CG1 3.91Å; P88-V104 HydrophobicContact CG-CG1 4.45Å; V91-V104 HydrophobicContact CB-CG2 4.14Å; V91-V104 HydrophobicContact CG1-CG2 3.99Å; V91-V104 HydrophobicContact CG2-CG1 3.9Å; V91-V104 HydrophobicContact CG2-CG2 3.97Å; L102-V104 HydrophobicContact CD2-CG2 3.71Å |
| 105 | L | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 105.4 | -177.6 | -53.9 | -179.5 | 0 | 0 | 0 | 108 | Y82 V83 F84 T85 V107 F127 | Y82-L105 HydrophobicContact CD1-CD1 4.05Å; Y82-L105 HydrophobicContact CG-CD1 4.41Å; V83-L105 PolarHBondContact O-N 3.31Å; F84-L105 WeakPolarHBondContact CA-O 3.48Å; F84-L105 HydrophobicContact CD1-CB 3.97Å; F84-L105 HydrophobicContact CD1-CD1 4.14Å; F84-L105 HydrophobicContact CD2-CD1 4.2Å; F84-L105 HydrophobicContact CE1-CB 4.2Å; F84-L105 HydrophobicContact CE1-CD1 3.66Å; F84-L105 HydrophobicContact CE2-CD1 3.71Å; F84-L105 HydrophobicContact CG-CB 4.32Å; F84-L105 HydrophobicContact CG-CD1 4.4Å; F84-L105 HydrophobicContact CZ-CD1 3.43Å; F84-L105 VanDerWaalsContact CZ-CD1 3.43Å; T85-L105 PolarHBondContact N-O 2.95Å; L105-V107 PolarHBondContact O-N 2.73Å; L105-F127 HydrophobicContact CB-CE1 4.25Å; L105-F127 HydrophobicContact CB-CZ 4.08Å; L105-F127 HydrophobicContact CD1-CD1 3.66Å; L105-F127 HydrophobicContact CD1-CE1 3.63Å; L105-F127 HydrophobicContact CD1-CG 4.2Å; L105-F127 HydrophobicContact CD1-CZ 4.1Å; L105-F127 HydrophobicContact CD2-CD1 4.33Å; L105-F127 HydrophobicContact CD2-CE1 3.68Å; L105-F127 HydrophobicContact CD2-CZ 4.3Å; L105-F127 HydrophobicContact CG-CE1 4.05Å; L105-F127 HydrophobicContact CG-CZ 4.39Å |
| 106 | E | 97.9 | Very high | 95.7 | Very high | 145 Ų | 145 | 64.7 Ų | 64.7 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | -179.7 | -170.3 | 172.6 | -173.4 | 0 | 0 | 110.8 | T85 P88 | T85-E106 VanDerWaalsContact O-CA 3.31Å; T85-E106 WeakPolarHBondContact O-CA 3.45Å; P88-E106 HydrophobicContact CG-CB 3.91Å; P88-E106 HydrophobicContact CG-CG 3.76Å |
| 107 | V | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | trans | -140.2 | 156.1 | 179.4 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | I55 F84 T85 D86 L105 M123 | I55-V107 HydrophobicContact CD1-CG2 3.58Å; F84-V107 HydrophobicContact CB-CG2 4.26Å; F84-V107 HydrophobicContact CD1-CG1 3.84Å; T85-V107 PolarHBondContact O-N 2.89Å; D86-V107 WeakPolarHBondContact CA-O 3.26Å; L105-V107 PolarHBondContact O-N 2.73Å; V107-M123 HydrophobicContact CB-CE 4.02Å; V107-M123 HydrophobicContact CB-SD 3.9Å; V107-M123 HydrophobicContact CG1-SD 3.92Å; V107-M123 HydrophobicContact CG2-CE 4.34Å; V107-M123 HydrophobicContact CG2-SD 3.94Å | ||
| 108 | G | 90.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 63 Ų | 63 | 55% | 0.546 | 34% | 0.341 | S | S | . | . | trans | -68.7 | 144.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 109 | A | 91.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | trans | -92.6 | 114 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I55 K56 D86 | I55-A109 HydrophobicContact CG2-CB 3.81Å; K56-A109 HydrophobicContact CG-CB 4.26Å; D86-A109 HydrophobicContact CB-CB 3.78Å; D86-A109 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 110 | Y | 92.9 | Very high | 95.3 | Very high | 80 Ų | 80 | 56 Ų | 56 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | trans | -71.8 | 149.2 | 171.2 | -70.8 | -94.8 | 0 | 0 | 0 | 111.7 | K56 D115 V116 R119 M123 | K56-Y110 WeakPolarHBondContact CE-O 3.19Å; K56-Y110 PolarHBondContact NZ-O 2.91Å; Y110-D115 HydrophobicContact CD1-CB 3.97Å; Y110-D115 HydrophobicContact CG-CB 3.88Å; Y110-V116 WeakPolarHBondContact O-CG2 3.48Å; Y110-R119 HydrophobicContact CD1-CG 4.4Å; Y110-R119 HydrophobicContact CD2-CB 4.1Å; Y110-R119 HydrophobicContact CD2-CG 3.86Å; Y110-R119 HydrophobicContact CE1-CG 4.07Å; Y110-R119 HydrophobicContact CE2-CB 3.75Å; Y110-R119 HydrophobicContact CE2-CG 3.49Å; Y110-R119 VanDerWaalsContact CE2-CG 3.49Å; Y110-R119 HydrophobicContact CG-CG 4.3Å; Y110-R119 WeakPolarHBondContact OH-CD 3.04Å; Y110-M123 HydrophobicContact CE2-CE 3.89Å | ||
| 111 | K | 90.9 | Very high | 95.2 | Very high | 193 Ų | 193 | 54.7 Ų | 54.7 | 84% | 0.839 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -66.4 | -48.6 | -175.8 | -173.5 | 177.3 | 178.4 | -179.7 | 0 | 112.9 | K56 | K56-K111 PolarHBondContact NZ-O 2.92Š|
| 112 | R | 93.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -82.4 | 143.1 | -178.5 | -60.9 | 168 | 62.3 | -130.7 | 8.7 | 110.3 | Q114 D115 V116 E229 | R112-Q114 PolarHBondContact O-N 3.17Å; R112-D115 HydrophobicContact CB-CB 4.37Å; R112-D115 WeakPolarHBondContact CB-OD2 3.5Å; R112-D115 WeakPolarHBondContact CD-OD2 3.41Å; R112-D115 IonicContact CZ-OD1 3.94Å; R112-D115 IonicContact NH1-OD1 3.5Å; R112-D115 PolarHBondContact NH1-OD1 3.25Å; R112-D115 IonicContact NH1-OD2 3.15Å; R112-D115 PolarHBondContact O-N 3.42Å; R112-V116 WeakPolarHBondContact O-CG2 3.26Å; R112-V116 PolarHBondContact O-N 3.43Å; R112-V116 VanDerWaalsContact O-N 3.15Å; R112-E229 IonicContact CZ-OE1 3.31Å; R112-E229 IonicContact CZ-OE2 2.67Å; R112-E229 VanDerWaalsContact CZ-OE2 3.31Å; R112-E229 IonicContact NH1-OE1 3.92Å; R112-E229 IonicContact NH1-OE2 3.44Å; R112-E229 PolarHBondContact NH1-OE2 3.42Å; R112-E229 VanDerWaalsContact NH2-CD 3.27Å; R112-E229 IonicContact NH2-OE1 3.59Å; R112-E229 PolarHBondContact NH2-OE1 3.32Å; R112-E229 IonicContact NH2-OE2 3.46Å; R112-E229 PolarHBondContact NH2-OE2 3.19Å |
| 113 | W | 92.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.3 | -29.7 | 176.6 | 70.2 | -94.5 | 0 | 0 | 0 | 111.7 | V116 S117 H233 R284 | W113-V116 PolarHBondContact O-N 3.13Å; W113-S117 PolarHBondContact O-N 3.42Å; W113-H233 AromaticContact CH2-CE1 3.28Å; W113-H233 WeakPolarHBondContact CH2-CE1 3.5Å; W113-H233 AromaticContact CH2-ND1 3.68Å; W113-H233 AromaticContact CZ2-CE1 3.88Å; W113-H233 AromaticContact CZ3-CE1 3.95Å; W113-H233 AromaticContact CZ3-ND1 3.95Å; W113-R284 HydrophobicContact CB-CB 3.97Å; W113-R284 HydrophobicContact CB-CG 3.88Å; W113-R284 HydrophobicContact CG-CB 4.16Å; W113-R284 HydrophobicContact CG-CG 4.02Å |
| 114 | Q | 93.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -51.5 | 172.3 | -63.1 | 90.7 | -30.7 | 0 | 0 | 110.7 | R112 V116 S117 M118 H233 | R112-Q114 PolarHBondContact O-N 3.17Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.44Å; Q114-S117 WeakPolarHBondContact O-CB 3.04Å; Q114-S117 PolarHBondContact O-N 2.86Å; Q114-S117 VanDerWaalsContact O-N 3.13Å; Q114-M118 HydrophobicContact CB-CE 4.23Å; Q114-M118 WeakPolarHBondContact O-CB 3.4Å; Q114-M118 VanDerWaalsContact O-CG 3.32Å; Q114-M118 WeakPolarHBondContact O-CG 3.18Å; Q114-M118 PolarHBondContact O-N 3.27Å; Q114-H233 VanDerWaalsContact CG-CD2 3.41Å; Q114-H233 WeakPolarHBondContact CG-CD2 3.33Å; Q114-H233 WeakPolarHBondContact CG-NE2 3.42Å |
| 115 | D | 93.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 179.2 | -59.9 | -29.4 | 0 | 0 | 0 | 111.1 | Y110 R112 S117 M118 R119 | Y110-D115 HydrophobicContact CD1-CB 3.97Å; Y110-D115 HydrophobicContact CG-CB 3.88Å; R112-D115 HydrophobicContact CB-CB 4.37Å; R112-D115 WeakPolarHBondContact CB-OD2 3.5Å; R112-D115 WeakPolarHBondContact CD-OD2 3.41Å; R112-D115 IonicContact CZ-OD1 3.94Å; R112-D115 IonicContact NH1-OD1 3.5Å; R112-D115 PolarHBondContact NH1-OD1 3.25Å; R112-D115 IonicContact NH1-OD2 3.15Å; R112-D115 PolarHBondContact O-N 3.42Å; D115-S117 VanDerWaalsContact C-N 3.31Å; D115-S117 PolarHBondContact O-N 3.07Å; D115-M118 PolarHBondContact O-N 3.39Å; D115-R119 WeakPolarHBondContact O-CB 3.1Å; D115-R119 WeakPolarHBondContact O-CG 3.42Å; D115-R119 PolarHBondContact O-N 3.12Å |
| 116 | V | 91.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | I55 Y110 R112 W113 Q114 R120 | I55-V116 HydrophobicContact CB-CG1 3.81Å; I55-V116 HydrophobicContact CG1-CG1 4.01Å; I55-V116 HydrophobicContact CG2-CG1 3.99Å; I55-V116 HydrophobicContact CG2-CG2 4.04Å; Y110-V116 WeakPolarHBondContact O-CG2 3.48Å; R112-V116 WeakPolarHBondContact O-CG2 3.26Å; R112-V116 PolarHBondContact O-N 3.43Å; R112-V116 VanDerWaalsContact O-N 3.15Å; W113-V116 PolarHBondContact O-N 3.13Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.44Å; V116-R120 WeakPolarHBondContact O-CG 3.5Å |
| 117 | S | 92.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.6 | -47.7 | 178.2 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | W113 Q114 D115 R120 D234 | W113-S117 PolarHBondContact O-N 3.42Å; Q114-S117 WeakPolarHBondContact O-CB 3.04Å; Q114-S117 PolarHBondContact O-N 2.86Å; Q114-S117 VanDerWaalsContact O-N 3.13Å; D115-S117 VanDerWaalsContact C-N 3.31Å; D115-S117 PolarHBondContact O-N 3.07Å; S117-R120 WeakPolarHBondContact O-CB 3.23Å; S117-R120 VanDerWaalsContact O-CG 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.32Å; S117-R120 PolarHBondContact O-N 3.15Å; S117-R120 PolarHBondContact O-NE 3.33Å; S117-R120 VanDerWaalsContact O-NE 3.07Å; S117-D234 WeakPolarHBondContact CB-OD1 3.38Å; S117-D234 PolarHBondContact OG-OD1 3.04Å; S117-D234 PolarHBondContact OG-OD2 3.48Å |
| 118 | M | 96.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | -177.4 | -72.2 | -171.2 | -61.5 | 0 | 0 | 112.9 | Q114 D115 R120 M121 M220 E229 H233 | Q114-M118 HydrophobicContact CB-CE 4.23Å; Q114-M118 WeakPolarHBondContact O-CB 3.4Å; Q114-M118 VanDerWaalsContact O-CG 3.32Å; Q114-M118 WeakPolarHBondContact O-CG 3.18Å; Q114-M118 PolarHBondContact O-N 3.27Å; D115-M118 PolarHBondContact O-N 3.39Å; M118-R120 PolarHBondContact O-N 2.79Å; M118-M121 PolarHBondContact O-N 3.32Å; M118-M220 HydrophobicContact CB-CE 4.38Å; M118-M220 HydrophobicContact CB-SD 3.53Å; M118-M220 VanDerWaalsContact CB-SD 3.53Å; M118-M220 HydrophobicContact CG-SD 3.61Å; M118-M220 VanDerWaalsContact O-CE 3.26Å; M118-M220 WeakPolarHBondContact O-CE 3.36Å; M118-M220 HydrophobicContact SD-SD 3.98Å; M118-E229 HydrophobicContact CE-CG 4.26Å; M118-E229 WeakPolarHBondContact CE-OE2 3.39Å; M118-E229 HydrophobicContact SD-CG 4.16Å; M118-H233 HydrophobicContact CG-CB 3.71Å; M118-H233 HydrophobicContact SD-CB 4.09Å |
| 119 | R | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -9.8 | -175.4 | -64.8 | -76.9 | 176.7 | -174.4 | -3.8 | 113.3 | Y110 D115 M121 E122 M123 | Y110-R119 HydrophobicContact CD1-CG 4.4Å; Y110-R119 HydrophobicContact CD2-CB 4.1Å; Y110-R119 HydrophobicContact CD2-CG 3.86Å; Y110-R119 HydrophobicContact CE1-CG 4.07Å; Y110-R119 HydrophobicContact CE2-CB 3.75Å; Y110-R119 HydrophobicContact CE2-CG 3.49Å; Y110-R119 VanDerWaalsContact CE2-CG 3.49Å; Y110-R119 HydrophobicContact CG-CG 4.3Å; Y110-R119 WeakPolarHBondContact OH-CD 3.04Å; D115-R119 WeakPolarHBondContact O-CB 3.1Å; D115-R119 WeakPolarHBondContact O-CG 3.42Å; D115-R119 PolarHBondContact O-N 3.12Å; R119-M121 PolarHBondContact O-N 2.89Å; R119-E122 WeakPolarHBondContact CD-OE2 3.44Å; R119-E122 IonicContact CZ-OE2 3.98Å; R119-E122 IonicContact NE-OE2 3.69Å; R119-E122 IonicContact NH1-OE2 3.43Å; R119-E122 PolarHBondContact NH1-OE2 3.44Å; R119-E122 WeakPolarHBondContact O-CB 3.36Å; R119-E122 PolarHBondContact O-N 3.47Å; R119-M123 HydrophobicContact CB-CE 4.26Å; R119-M123 WeakPolarHBondContact O-CG 3.36Å; R119-M123 PolarHBondContact O-N 2.85Å |
| 120 | R | 96.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -38.6 | 169.7 | -60 | -174.1 | -61.4 | 148 | 3 | 111.7 | F53 V116 S117 M118 M123 I124 D143 G199 D234 | F53-R120 HydrophobicContact CB-CG 4.28Å; F53-R120 HydrophobicContact CD1-CG 3.86Å; F53-R120 HydrophobicContact CD2-CB 4.06Å; F53-R120 HydrophobicContact CD2-CG 3.63Å; F53-R120 HydrophobicContact CE1-CB 4.38Å; F53-R120 HydrophobicContact CE1-CG 4.09Å; F53-R120 HydrophobicContact CE2-CB 3.8Å; F53-R120 HydrophobicContact CE2-CG 3.87Å; F53-R120 HydrophobicContact CG-CB 4.47Å; F53-R120 HydrophobicContact CG-CG 3.64Å; F53-R120 HydrophobicContact CZ-CB 3.97Å; F53-R120 HydrophobicContact CZ-CG 4.1Å; V116-R120 WeakPolarHBondContact O-CG 3.5Å; S117-R120 WeakPolarHBondContact O-CB 3.23Å; S117-R120 VanDerWaalsContact O-CG 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.32Å; S117-R120 PolarHBondContact O-N 3.15Å; S117-R120 PolarHBondContact O-NE 3.33Å; S117-R120 VanDerWaalsContact O-NE 3.07Å; M118-R120 PolarHBondContact O-N 2.79Å; R120-M123 PolarHBondContact O-N 2.66Å; R120-I124 HydrophobicContact CB-CD1 4.42Å; R120-I124 WeakPolarHBondContact O-CB 3.23Å; R120-I124 WeakPolarHBondContact O-CD1 3.31Å; R120-I124 WeakPolarHBondContact O-CG1 3.26Å; R120-I124 PolarHBondContact O-N 2.83Å; R120-D143 IonicContact CZ-OD1 2.7Å; R120-D143 VanDerWaalsContact CZ-OD1 3.31Å; R120-D143 IonicContact NH1-OD1 3.67Å; R120-D143 PolarHBondContact NH1-OD1 2.67Å; R120-D143 IonicContact NH2-OD1 3.43Å; R120-G199 PolarHBondContact NH2-O 3.47Å; R120-G199 VanDerWaalsContact NH2-O 3.09Å; R120-D234 IonicContact CZ-OD2 3.46Å; R120-D234 IonicContact NE-OD2 2.88Å; R120-D234 IonicContact NH2-OD2 2.73Å; R120-D234 PolarHBondContact NH2-OD2 3.22Å |
| 121 | M | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 179.2 | -63.5 | -64.4 | -179.3 | 0 | 0 | 111.8 | M118 R119 S125 F202 L212 T213 C216 H217 M220 D234 | M118-M121 PolarHBondContact O-N 3.32Å; R119-M121 PolarHBondContact O-N 2.89Å; M121-S125 WeakPolarHBondContact O-CB 3.46Å; M121-S125 PolarHBondContact O-N 3.15Å; M121-S125 VanDerWaalsContact O-N 3.08Å; M121-S125 PolarHBondContact O-OG 3.16Å; M121-F202 HydrophobicContact CE-CE1 4.05Å; M121-F202 HydrophobicContact CE-CZ 4.03Å; M121-F202 HydrophobicContact SD-CZ 4.08Å; M121-L212 HydrophobicContact CE-CD2 4.44Å; M121-L212 HydrophobicContact SD-CD2 4.13Å; M121-T213 WeakPolarHBondContact O-CB 3.42Å; M121-T213 HydrophobicContact SD-CG2 3.83Å; M121-C216 HydrophobicContact CB-CB 4.34Å; M121-C216 HydrophobicContact CE-CB 4.46Å; M121-C216 HydrophobicContact CG-CB 3.93Å; M121-C216 HydrophobicContact SD-CB 4.03Å; M121-H217 HydrophobicContact CB-CB 4.19Å; M121-M220 HydrophobicContact CB-CE 3.64Å; M121-M220 HydrophobicContact CG-CE 3.62Å; M121-D234 HydrophobicContact CE-CB 3.95Å; M121-D234 HydrophobicContact CG-CB 4.31Å |
| 122 | E | 98.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -54.6 | 174.9 | -175 | 178 | -177.7 | 0 | 0 | 110.7 | R119 I124 S125 D126 H217 | R119-E122 WeakPolarHBondContact CD-OE2 3.44Å; R119-E122 IonicContact CZ-OE2 3.98Å; R119-E122 IonicContact NE-OE2 3.69Å; R119-E122 IonicContact NH1-OE2 3.43Å; R119-E122 PolarHBondContact NH1-OE2 3.44Å; R119-E122 WeakPolarHBondContact O-CB 3.36Å; R119-E122 PolarHBondContact O-N 3.47Å; E122-I124 PolarHBondContact O-N 2.98Å; E122-S125 PolarHBondContact O-N 3.3Å; E122-S125 VanDerWaalsContact O-N 3.07Å; E122-S125 PolarHBondContact O-OG 3.03Å; E122-D126 PolarHBondContact O-N 3.31Å; E122-H217 VanDerWaalsContact CD-CE1 3.5Å; E122-H217 IonicContact OE2-CE1 3.28Å; E122-H217 PolarHBondContact OE2-CE1 3.47Å; E122-H217 IonicContact OE2-ND1 3.6Å |
| 123 | M | 97.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | -175.5 | -66.2 | 175.9 | -174.9 | 0 | 0 | 112.2 | F53 F84 V107 Y110 R119 R120 S125 D126 F127 | F53-M123 HydrophobicContact CD1-SD 4.36Å; F53-M123 HydrophobicContact CE1-CB 3.92Å; F53-M123 HydrophobicContact CE1-CG 4.37Å; F53-M123 HydrophobicContact CE1-SD 3.55Å; F53-M123 VanDerWaalsContact CE1-SD 3.55Å; F53-M123 HydrophobicContact CZ-CB 3.85Å; F53-M123 HydrophobicContact CZ-SD 4.42Å; F84-M123 HydrophobicContact CD1-CB 4.44Å; F84-M123 HydrophobicContact CE1-CB 4.19Å; V107-M123 HydrophobicContact CB-CE 4.02Å; V107-M123 HydrophobicContact CB-SD 3.9Å; V107-M123 HydrophobicContact CG1-SD 3.92Å; V107-M123 HydrophobicContact CG2-CE 4.34Å; V107-M123 HydrophobicContact CG2-SD 3.94Å; Y110-M123 HydrophobicContact CE2-CE 3.89Å; R119-M123 HydrophobicContact CB-CE 4.26Å; R119-M123 WeakPolarHBondContact O-CG 3.36Å; R119-M123 PolarHBondContact O-N 2.85Å; R120-M123 PolarHBondContact O-N 2.66Å; M123-S125 VanDerWaalsContact C-N 3.35Å; M123-D126 PolarHBondContact O-N 3.09Å; M123-F127 VanDerWaalsContact O-CD2 3.28Å; M123-F127 WeakPolarHBondContact O-CD2 3.38Å; M123-F127 PolarHBondContact O-N 3.5Å; M123-F127 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 174.8 | -66.2 | 161.3 | 0 | 0 | 0 | 110.1 | F53 R120 E122 D126 F127 C128 F132 C141 F202 V209 T213 | F53-I124 HydrophobicContact CE2-CD1 3.97Å; F53-I124 HydrophobicContact CE2-CG1 3.83Å; F53-I124 HydrophobicContact CZ-CG1 4.04Å; R120-I124 HydrophobicContact CB-CD1 4.42Å; R120-I124 WeakPolarHBondContact O-CB 3.23Å; R120-I124 WeakPolarHBondContact O-CD1 3.31Å; R120-I124 WeakPolarHBondContact O-CG1 3.26Å; R120-I124 PolarHBondContact O-N 2.83Å; E122-I124 PolarHBondContact O-N 2.98Å; I124-D126 VanDerWaalsContact C-N 3.34Å; I124-D126 PolarHBondContact O-N 3.13Å; I124-F127 PolarHBondContact O-N 2.95Å; I124-C128 PolarHBondContact O-N 3.23Å; I124-C128 PolarHBondContact O-SG 2.93Å; I124-F132 HydrophobicContact CG2-CE2 4.34Å; I124-C141 HydrophobicContact CD1-CB 4.19Å; I124-F202 HydrophobicContact CD1-CZ 4.22Å; I124-V209 HydrophobicContact CG2-CG1 3.81Å; I124-T213 HydrophobicContact CB-CG2 4.03Å; I124-T213 HydrophobicContact CD1-CG2 4.45Å; I124-T213 HydrophobicContact CG2-CG2 3.78Å |
| 125 | S | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -37.3 | -178.6 | 79 | 0 | 0 | 0 | 0 | 112.9 | M121 E122 M123 C128 T213 | M121-S125 WeakPolarHBondContact O-CB 3.46Å; M121-S125 PolarHBondContact O-N 3.15Å; M121-S125 VanDerWaalsContact O-N 3.08Å; M121-S125 PolarHBondContact O-OG 3.16Å; E122-S125 PolarHBondContact O-N 3.3Å; E122-S125 VanDerWaalsContact O-N 3.07Å; E122-S125 PolarHBondContact O-OG 3.03Å; M123-S125 VanDerWaalsContact C-N 3.35Å; S125-C128 WeakPolarHBondContact O-CB 3.46Å; S125-C128 PolarHBondContact O-N 3.42Å; S125-T213 WeakPolarHBondContact CB-OG1 3.34Å |
| 126 | D | 97.5 | Very high | 96.5 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.5 | -86.1 | 15.3 | 0 | 0 | 0 | 111.4 | E122 M123 I124 C128 E129 R130 | E122-D126 PolarHBondContact O-N 3.31Å; M123-D126 PolarHBondContact O-N 3.09Å; I124-D126 VanDerWaalsContact C-N 3.34Å; I124-D126 PolarHBondContact O-N 3.13Å; D126-C128 VanDerWaalsContact C-N 3.29Å; D126-C128 PolarHBondContact O-N 2.75Å; D126-E129 PolarHBondContact O-N 3.16Å; D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.37Å; D126-R130 PolarHBondContact O-N 2.55Å; D126-R130 VanDerWaalsContact O-N 3.14Å; D126-R130 IonicContact OD2-CZ 3.57Å; D126-R130 IonicContact OD2-NH2 3.42Å; D126-R130 PolarHBondContact OD2-NH2 3.03Å; D126-R130 VanDerWaalsContact OD2-NH2 3.15Å |
| 127 | F | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.7 | -18.4 | -179.2 | -83.7 | -94.2 | 0 | 0 | 0 | 113.4 | F84 L105 M123 I124 E129 R130 R131 F132 | F84-F127 HydrophobicContact CD1-CE2 4.48Å; F84-F127 AromaticContact CE1-CD2 3.49Å; F84-F127 HydrophobicContact CE1-CD2 3.49Å; F84-F127 VanDerWaalsContact CE1-CD2 3.49Å; F84-F127 AromaticContact CE1-CE2 3.65Å; F84-F127 HydrophobicContact CE1-CE2 3.65Å; F84-F127 AromaticContact CE1-CG 3.97Å; F84-F127 HydrophobicContact CE1-CG 3.97Å; F84-F127 HydrophobicContact CE1-CZ 4.31Å; F84-F127 HydrophobicContact CZ-CB 4.15Å; F84-F127 AromaticContact CZ-CD2 3.94Å; F84-F127 HydrophobicContact CZ-CD2 3.94Å; F84-F127 HydrophobicContact CZ-CE2 4.46Å; F84-F127 AromaticContact CZ-CG 3.97Å; F84-F127 HydrophobicContact CZ-CG 3.97Å; L105-F127 HydrophobicContact CB-CE1 4.25Å; L105-F127 HydrophobicContact CB-CZ 4.08Å; L105-F127 HydrophobicContact CD1-CD1 3.66Å; L105-F127 HydrophobicContact CD1-CE1 3.63Å; L105-F127 HydrophobicContact CD1-CG 4.2Å; L105-F127 HydrophobicContact CD1-CZ 4.1Å; L105-F127 HydrophobicContact CD2-CD1 4.33Å; L105-F127 HydrophobicContact CD2-CE1 3.68Å; L105-F127 HydrophobicContact CD2-CZ 4.3Å; L105-F127 HydrophobicContact CG-CE1 4.05Å; L105-F127 HydrophobicContact CG-CZ 4.39Å; M123-F127 VanDerWaalsContact O-CD2 3.28Å; M123-F127 WeakPolarHBondContact O-CD2 3.38Å; M123-F127 PolarHBondContact O-N 3.5Å; M123-F127 VanDerWaalsContact O-N 3.09Å; I124-F127 PolarHBondContact O-N 2.95Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 3.31Å; F127-R130 PolarHBondContact O-N 3.28Å; F127-R131 HydrophobicContact CD1-CG 4.23Å; F127-R131 PolarHBondContact O-N 3.04Å; F127-F132 HydrophobicContact CB-CD2 4.03Å; F127-F132 HydrophobicContact CB-CE1 3.99Å; F127-F132 HydrophobicContact CB-CE2 3.38Å; F127-F132 HydrophobicContact CB-CZ 3.38Å; F127-F132 HydrophobicContact CG-CZ 4.3Å; F127-F132 WeakPolarHBondContact O-CD2 3.48Å; F127-F132 WeakPolarHBondContact O-CG 3.31Å; F127-F132 PolarHBondContact O-N 3.27Å |
| 128 | C | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -56.8 | -47.3 | 166.9 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | I124 S125 D126 F132 L133 V206 Q210 | I124-C128 PolarHBondContact O-N 3.23Å; I124-C128 PolarHBondContact O-SG 2.93Å; S125-C128 WeakPolarHBondContact O-CB 3.46Å; S125-C128 PolarHBondContact O-N 3.42Å; D126-C128 VanDerWaalsContact C-N 3.29Å; D126-C128 PolarHBondContact O-N 2.75Å; C128-F132 HydrophobicContact CB-CD2 4.29Å; C128-F132 VanDerWaalsContact N-CD2 3.31Å; C128-L133 WeakPolarHBondContact O-CD1 3.24Å; C128-L133 VanDerWaalsContact O-CG 3.24Å; C128-L133 WeakPolarHBondContact O-CG 3.35Å; C128-L133 PolarHBondContact O-N 2.82Å; C128-V206 HydrophobicContact CB-CG1 4.25Å; C128-Q210 HydrophobicContact CB-CB 3.8Å; C128-Q210 HydrophobicContact CB-CG 3.8Å |
| 129 | E | 91 | Very high | 97.3 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -72.9 | -38.7 | 179.4 | -64.2 | -172.4 | 165.2 | 0 | 0 | 112.7 | D126 F127 Q210 R214 | D126-E129 PolarHBondContact O-N 3.16Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 3.31Å; E129-Q210 PolarHBondContact OE1-NE2 3.46Å; E129-R214 IonicContact OE1-CZ 3.53Å; E129-R214 IonicContact OE1-NH1 3.7Å; E129-R214 IonicContact OE1-NH2 2.61Å; E129-R214 PolarHBondContact OE1-NH2 3.31Å |
| 130 | R | 92.9 | Very high | 97.4 | Very high | 162 Ų | 162 | 43.9 Ų | 43.9 | 61% | 0.611 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -79.4 | -32.6 | -173.2 | -64.4 | 172.9 | -168.2 | -166.5 | 10.1 | 113.7 | D126 F127 | D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.37Å; D126-R130 PolarHBondContact O-N 2.55Å; D126-R130 VanDerWaalsContact O-N 3.14Å; D126-R130 IonicContact OD2-CZ 3.57Å; D126-R130 IonicContact OD2-NH2 3.42Å; D126-R130 PolarHBondContact OD2-NH2 3.03Å; D126-R130 VanDerWaalsContact OD2-NH2 3.15Å; F127-R130 PolarHBondContact O-N 3.28Å |
| 131 | R | 95.3 | Very high | 97.5 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -142 | -53.6 | -169.1 | -66.1 | -165.1 | 72.3 | 166.1 | 1.2 | 114.1 | F127 L133 S134 E135 | F127-R131 HydrophobicContact CD1-CG 4.23Å; F127-R131 PolarHBondContact O-N 3.04Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.01Å; R131-S134 PolarHBondContact O-N 3.41Å; R131-S134 PolarHBondContact O-OG 3.13Å; R131-E135 IonicContact CZ-OE1 3.62Å; R131-E135 VanDerWaalsContact CZ-OE1 3.28Å; R131-E135 IonicContact CZ-OE2 3.59Å; R131-E135 IonicContact NE-OE1 3.56Å; R131-E135 PolarHBondContact NE-OE1 3.48Å; R131-E135 IonicContact NE-OE2 3.94Å; R131-E135 PolarHBondContact NE-OE2 2.79Å; R131-E135 IonicContact NH2-OE1 2.67Å; R131-E135 PolarHBondContact NH2-OE1 2.77Å; R131-E135 IonicContact NH2-OE2 3.57Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.62Å |
| 132 | F | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -63.3 | -37.6 | -162.5 | -51 | -36.6 | 0 | 0 | 0 | 112.7 | T51 Y82 F84 I124 F127 C128 S134 E135 V136 L139 V206 | T51-F132 HydrophobicContact CG2-CE2 4.11Å; T51-F132 HydrophobicContact CG2-CZ 3.8Å; Y82-F132 HydrophobicContact CD1-CD1 4.34Å; Y82-F132 AromaticContact CD1-CE1 3.62Å; Y82-F132 HydrophobicContact CD1-CE1 3.62Å; Y82-F132 HydrophobicContact CD2-CD1 4.07Å; Y82-F132 AromaticContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CZ 4.3Å; Y82-F132 AromaticContact CE1-CD1 3.94Å; Y82-F132 HydrophobicContact CE1-CD1 3.94Å; Y82-F132 AromaticContact CE1-CE1 3.68Å; Y82-F132 HydrophobicContact CE1-CE1 3.68Å; Y82-F132 AromaticContact CE2-CD1 3.65Å; Y82-F132 HydrophobicContact CE2-CD1 3.65Å; Y82-F132 AromaticContact CE2-CE1 3.64Å; Y82-F132 HydrophobicContact CE2-CE1 3.64Å; Y82-F132 HydrophobicContact CG-CD1 4.37Å; Y82-F132 AromaticContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CZ 4.22Å; Y82-F132 AromaticContact CZ-CD1 3.56Å; Y82-F132 AromaticContact CZ-CE1 3.68Å; F84-F132 HydrophobicContact CE2-CZ 4.18Å; F84-F132 AromaticContact CZ-CZ 3.9Å; F84-F132 HydrophobicContact CZ-CZ 3.9Å; I124-F132 HydrophobicContact CG2-CE2 4.34Å; F127-F132 HydrophobicContact CB-CD2 4.03Å; F127-F132 HydrophobicContact CB-CE1 3.99Å; F127-F132 HydrophobicContact CB-CE2 3.38Å; F127-F132 HydrophobicContact CB-CZ 3.38Å; F127-F132 HydrophobicContact CG-CZ 4.3Å; F127-F132 WeakPolarHBondContact O-CD2 3.48Å; F127-F132 WeakPolarHBondContact O-CG 3.31Å; F127-F132 PolarHBondContact O-N 3.27Å; C128-F132 HydrophobicContact CB-CD2 4.29Å; C128-F132 VanDerWaalsContact N-CD2 3.31Å; F132-S134 PolarHBondContact O-N 2.73Å; F132-S134 VanDerWaalsContact O-N 3.13Å; F132-E135 PolarHBondContact O-N 2.75Å; F132-E135 VanDerWaalsContact O-N 3.09Å; F132-V136 HydrophobicContact CB-CG2 4.11Å; F132-V136 PolarHBondContact O-N 3.49Å; F132-L139 HydrophobicContact CB-CD1 3.96Å; F132-L139 HydrophobicContact CB-CD2 4.36Å; F132-L139 HydrophobicContact CB-CG 4.42Å; F132-L139 HydrophobicContact CD1-CD2 4.3Å; F132-L139 HydrophobicContact CD2-CD1 3.42Å; F132-L139 VanDerWaalsContact CD2-CD1 3.42Å; F132-L139 HydrophobicContact CD2-CD2 3.99Å; F132-L139 HydrophobicContact CD2-CG 4.29Å; F132-L139 HydrophobicContact CE2-CD1 4.1Å; F132-L139 HydrophobicContact CE2-CD2 4.29Å; F132-L139 HydrophobicContact CG-CD1 3.91Å; F132-L139 HydrophobicContact CG-CD2 3.98Å; F132-L139 HydrophobicContact CG-CG 4.42Å; F132-V206 HydrophobicContact CB-CG1 3.86Å; F132-V206 HydrophobicContact CB-CG2 4.29Å |
| 133 | L | 96.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.8 | -27.1 | 177.8 | -78.5 | 170.5 | 0 | 0 | 0 | 113.8 | C128 R131 V206 | C128-L133 WeakPolarHBondContact O-CD1 3.24Å; C128-L133 VanDerWaalsContact O-CG 3.24Å; C128-L133 WeakPolarHBondContact O-CG 3.35Å; C128-L133 PolarHBondContact O-N 2.82Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.01Å; L133-V206 HydrophobicContact CB-CG1 4.49Å; L133-V206 HydrophobicContact CD2-CB 4.13Å; L133-V206 HydrophobicContact CD2-CG1 3.63Å; L133-V206 HydrophobicContact CG-CG1 3.77Å |
| 134 | S | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 71% | 0.706 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -98.8 | -11.5 | 179 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | R131 F132 | R131-S134 PolarHBondContact O-N 3.41Å; R131-S134 PolarHBondContact O-OG 3.13Å; F132-S134 PolarHBondContact O-N 2.73Å; F132-S134 VanDerWaalsContact O-N 3.13Å |
| 135 | E | 98.6 | Very high | 97.5 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -113.7 | -31.4 | -168.9 | -69.7 | -178.7 | 172.5 | 0 | 0 | 113.3 | H80 Y82 R131 F132 | H80-E135 IonicContact CE1-OE2 2.8Å; H80-E135 PolarHBondContact CE1-OE2 2.81Å; H80-E135 VanDerWaalsContact CE1-OE2 3.23Å; H80-E135 IonicContact ND1-OE2 3.86Å; Y82-E135 WeakPolarHBondContact CE1-OE2 3.44Å; Y82-E135 VanDerWaalsContact CZ-OE2 3.27Å; Y82-E135 VanDerWaalsContact OH-CB 3.26Å; Y82-E135 WeakPolarHBondContact OH-CB 3.45Å; Y82-E135 PolarHBondContact OH-OE2 3.42Å; R131-E135 IonicContact CZ-OE1 3.62Å; R131-E135 VanDerWaalsContact CZ-OE1 3.28Å; R131-E135 IonicContact CZ-OE2 3.59Å; R131-E135 IonicContact NE-OE1 3.56Å; R131-E135 PolarHBondContact NE-OE1 3.48Å; R131-E135 IonicContact NE-OE2 3.94Å; R131-E135 PolarHBondContact NE-OE2 2.79Å; R131-E135 IonicContact NH2-OE1 2.67Å; R131-E135 PolarHBondContact NH2-OE1 2.77Å; R131-E135 IonicContact NH2-OE2 3.57Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.62Å; F132-E135 PolarHBondContact O-N 2.75Å; F132-E135 VanDerWaalsContact O-N 3.09Å |
| 136 | V | 98.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | trans | -141.8 | 154.4 | -172.2 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | T47 H80 Y82 F132 L139 V206 | T47-V136 HydrophobicContact CG2-CB 4.39Å; T47-V136 HydrophobicContact CG2-CG1 3.91Å; H80-V136 HydrophobicContact CB-CG1 3.95Å; Y82-V136 HydrophobicContact CE2-CG1 4.12Å; F132-V136 HydrophobicContact CB-CG2 4.11Å; F132-V136 PolarHBondContact O-N 3.49Å; V136-L139 HydrophobicContact CG2-CD2 4.1Å; V136-L139 HydrophobicContact CG2-CG 4.24Å; V136-V206 HydrophobicContact CG2-CG2 3.77Å; V136-V206 VanDerWaalsContact O-CG2 3.23Å; V136-V206 WeakPolarHBondContact O-CG2 3.2Å | ||
| 137 | D | 98.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -87.4 | -38.7 | 177.8 | -55.7 | -63.6 | 0 | 0 | 0 | 111.5 | T46 T47 V206 | T46-D137 VanDerWaalsContact CA-OD2 3.32Å; T46-D137 WeakPolarHBondContact CA-OD2 3.33Å; T46-D137 HydrophobicContact CG2-CB 4.29Å; T47-D137 PolarHBondContact N-OD2 2.8Å; T47-D137 PolarHBondContact O-N 2.66Å; D137-V206 PolarHBondContact O-N 3.31Å |
| 138 | Y | 98.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 40 Ų | 40 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.9 | -178.3 | -63.6 | -90.5 | 0 | 0 | 0 | 111 | F41 T46 T47 G49 L157 T158 G204 | F41-Y138 HydrophobicContact CE1-CE2 4.12Å; T46-Y138 HydrophobicContact CG2-CD2 3.68Å; T46-Y138 HydrophobicContact CG2-CE2 3.88Å; T47-Y138 PolarHBondContact O-N 3.02Å; G49-Y138 PolarHBondContact N-O 3.23Å; Y138-L157 HydrophobicContact CD1-CB 4.29Å; Y138-L157 HydrophobicContact CD1-CD2 4.33Å; Y138-L157 HydrophobicContact CD2-CD1 4.11Å; Y138-L157 HydrophobicContact CD2-CD2 4.42Å; Y138-L157 HydrophobicContact CE1-CB 4.33Å; Y138-L157 HydrophobicContact CE2-CD1 4.5Å; Y138-L157 HydrophobicContact CG-CB 4.41Å; Y138-L157 HydrophobicContact CG-CD1 4.45Å; Y138-L157 HydrophobicContact CG-CD2 3.94Å; Y138-L157 HydrophobicContact CG-CG 4.49Å; Y138-T158 WeakPolarHBondContact CE1-O 3.46Å; Y138-G204 CarbonylContact C-O 3.44Å; Y138-G204 VanDerWaalsContact CA-O 3.25Å; Y138-G204 WeakPolarHBondContact CA-O 3.38Å; Y138-G204 WeakPolarHBondContact CB-O 3.26Å |
| 139 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136 | 170.2 | -80.2 | 168.6 | 0 | 0 | 0 | 110.1 | G49 T51 F132 V136 G203 G204 V206 V209 | G49-L139 CarbonylContact O-C 3.47Å; G49-L139 WeakPolarHBondContact O-CA 3.35Å; T51-L139 HydrophobicContact CG2-CD2 3.78Å; F132-L139 HydrophobicContact CB-CD1 3.96Å; F132-L139 HydrophobicContact CB-CD2 4.36Å; F132-L139 HydrophobicContact CB-CG 4.42Å; F132-L139 HydrophobicContact CD1-CD2 4.3Å; F132-L139 HydrophobicContact CD2-CD1 3.42Å; F132-L139 VanDerWaalsContact CD2-CD1 3.42Å; F132-L139 HydrophobicContact CD2-CD2 3.99Å; F132-L139 HydrophobicContact CD2-CG 4.29Å; F132-L139 HydrophobicContact CE2-CD1 4.1Å; F132-L139 HydrophobicContact CE2-CD2 4.29Å; F132-L139 HydrophobicContact CG-CD1 3.91Å; F132-L139 HydrophobicContact CG-CD2 3.98Å; F132-L139 HydrophobicContact CG-CG 4.42Å; V136-L139 HydrophobicContact CG2-CD2 4.1Å; V136-L139 HydrophobicContact CG2-CG 4.24Å; L139-G203 CarbonylContact O-C 3.56Å; L139-G203 WeakPolarHBondContact O-CA 3.5Å; L139-G204 PolarHBondContact N-O 2.76Å; L139-G204 PolarHBondContact O-N 2.78Å; L139-V206 HydrophobicContact CD1-CG1 4.22Å; L139-V206 HydrophobicContact CD1-CG2 4.28Å; L139-V206 HydrophobicContact CG-CG2 4.21Å; L139-V209 HydrophobicContact CB-CB 4.23Å; L139-V209 HydrophobicContact CB-CG1 4.12Å; L139-V209 HydrophobicContact CB-CG2 3.97Å; L139-V209 HydrophobicContact CD1-CB 4.17Å; L139-V209 HydrophobicContact CD1-CG1 3.85Å |
| 140 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.8 | 168 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | I48 G49 L50 T51 F73 V142 I156 F161 F201 | I48-V140 HydrophobicContact CG2-CG2 3.91Å; G49-V140 PolarHBondContact O-N 2.84Å; L50-V140 WeakPolarHBondContact CA-O 3.02Å; L50-V140 HydrophobicContact CD1-CB 3.81Å; L50-V140 HydrophobicContact CD1-CG1 3.62Å; T51-V140 PolarHBondContact N-O 3.46Å; F73-V140 HydrophobicContact CE2-CB 4.38Å; F73-V140 HydrophobicContact CE2-CG1 4.21Å; F73-V140 HydrophobicContact CE2-CG2 4.27Å; F73-V140 HydrophobicContact CZ-CB 4.14Å; F73-V140 HydrophobicContact CZ-CG1 4.43Å; F73-V140 HydrophobicContact CZ-CG2 4.06Å; V140-V142 HydrophobicContact CG1-CG1 3.9Å; V140-I156 HydrophobicContact CG2-CD1 3.99Å; V140-F161 HydrophobicContact CG1-CZ 4.37Å; V140-F161 HydrophobicContact CG2-CE1 4.45Å; V140-F161 HydrophobicContact CG2-CZ 4.19Å; V140-F201 HydrophobicContact CG1-CD1 4.15Å; V140-F201 HydrophobicContact CG1-CE1 3.47Å; V140-F201 VanDerWaalsContact CG1-CE1 3.47Å; V140-F201 HydrophobicContact CG1-CZ 4.08Å |
| 141 | C | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 115.7 | -174.5 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | T51 I124 F201 F202 | T51-C141 WeakPolarHBondContact OG1-CA 3.28Å; T51-C141 WeakPolarHBondContact OG1-CB 3.37Å; T51-C141 PolarHBondContact OG1-SG 3.05Å; I124-C141 HydrophobicContact CD1-CB 4.19Å; C141-F201 WeakPolarHBondContact O-CA 3.39Å; C141-F202 HydrophobicContact CB-CD1 4.28Å; C141-F202 HydrophobicContact CB-CD2 4.05Å; C141-F202 HydrophobicContact CB-CE1 3.87Å; C141-F202 HydrophobicContact CB-CE2 3.61Å; C141-F202 HydrophobicContact CB-CG 4.37Å; C141-F202 HydrophobicContact CB-CZ 3.51Å; C141-F202 PolarHBondContact N-O 2.69Å; C141-F202 PolarHBondContact O-N 3.1Å; C141-F202 VanDerWaalsContact O-N 3.12Å |
| 142 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.4 | -172.3 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | L50 T51 F65 V140 A200 F201 F273 | L50-V142 HydrophobicContact CD1-CG1 4.36Å; L50-V142 HydrophobicContact CD1-CG2 3.71Å; L50-V142 HydrophobicContact CG-CG2 4.4Å; T51-V142 PolarHBondContact O-N 3.3Å; F65-V142 HydrophobicContact CE2-CG2 3.64Å; F65-V142 HydrophobicContact CZ-CG2 3.51Å; V140-V142 HydrophobicContact CG1-CG1 3.9Å; V142-A200 WeakPolarHBondContact CA-O 3.19Å; V142-F201 HydrophobicContact CG1-CB 4.23Å; V142-F201 HydrophobicContact CG1-CD1 3.7Å; V142-F201 HydrophobicContact CG1-CD2 4.01Å; V142-F201 HydrophobicContact CG1-CE1 4.06Å; V142-F201 HydrophobicContact CG1-CE2 4.32Å; V142-F201 HydrophobicContact CG1-CG 3.71Å; V142-F201 HydrophobicContact CG1-CZ 4.35Å; V142-F273 HydrophobicContact CB-CE1 4.14Å; V142-F273 HydrophobicContact CB-CZ 4.06Å; V142-F273 HydrophobicContact CG1-CE1 4.25Å; V142-F273 HydrophobicContact CG1-CZ 4.46Å; V142-F273 HydrophobicContact CG2-CZ 4.26Å |
| 143 | D | 98 | Very high | 98.6 | Very high | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.5 | 168.7 | -77.8 | -1.4 | 0 | 0 | 0 | 111.9 | R120 D145 M146 A200 | R120-D143 IonicContact CZ-OD1 2.7Å; R120-D143 VanDerWaalsContact CZ-OD1 3.31Å; R120-D143 IonicContact NH1-OD1 3.67Å; R120-D143 PolarHBondContact NH1-OD1 2.67Å; R120-D143 IonicContact NH2-OD1 3.43Å; D143-D145 WeakPolarHBondContact CB-OD1 3.34Å; D143-M146 HydrophobicContact CB-CE 4.28Å; D143-M146 HydrophobicContact CB-CG 4.3Å; D143-A200 HydrophobicContact CB-CB 3.89Å; D143-A200 VanDerWaalsContact CG-CB 3.45Å; D143-A200 PolarHBondContact N-O 3.17Å; D143-A200 VanDerWaalsContact N-O 3.08Å; D143-A200 WeakPolarHBondContact OD2-CB 2.8Å |
| 144 | V | 98.5 | Very high | 98.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -84.2 | -24.3 | -175.4 | 73 | 0 | 0 | 0 | 0 | 113.7 | V52 F53 A54 Y58 F61 L62 F65 M146 | V52-V144 HydrophobicContact CG2-CB 3.35Å; V52-V144 HydrophobicContact CG2-CG2 3.52Å; F53-V144 WeakPolarHBondContact O-CB 3.06Å; F53-V144 WeakPolarHBondContact O-CG1 3.42Å; A54-V144 HydrophobicContact CB-CG2 4.28Å; Y58-V144 HydrophobicContact CD1-CG1 3.76Å; Y58-V144 HydrophobicContact CG-CG1 4.34Å; F61-V144 HydrophobicContact CB-CG1 4.23Å; F61-V144 HydrophobicContact CB-CG2 4.03Å; F61-V144 VanDerWaalsContact CB-O 3.3Å; F61-V144 WeakPolarHBondContact CB-O 3.4Å; F61-V144 HydrophobicContact CD2-CG1 4.22Å; L62-V144 HydrophobicContact CD2-CG2 3.76Å; L62-V144 HydrophobicContact CG-CG2 4.16Å; F65-V144 HydrophobicContact CB-CG2 4.39Å; F65-V144 HydrophobicContact CG-CG2 4.39Å; V144-M146 PolarHBondContact O-N 3.02Å |
| 145 | D | 97.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -82.6 | 46.8 | -174.8 | 57.6 | -11.8 | 0 | 0 | 0 | 112.1 | Y58 F61 D143 V276 K278 | Y58-D145 HydrophobicContact CD1-CB 4.3Å; Y58-D145 HydrophobicContact CE1-CB 4.14Å; F61-D145 HydrophobicContact CD1-CB 4.15Å; F61-D145 HydrophobicContact CD2-CB 3.85Å; F61-D145 HydrophobicContact CE1-CB 4.14Å; F61-D145 HydrophobicContact CE2-CB 3.84Å; F61-D145 HydrophobicContact CG-CB 4.01Å; F61-D145 HydrophobicContact CZ-CB 4Å; D143-D145 WeakPolarHBondContact CB-OD1 3.34Å; D145-V276 PolarHBondContact O-N 2.73Å; D145-K278 HydrophobicContact CB-CD 4.05Å; D145-K278 VanDerWaalsContact CG-NZ 3.32Å; D145-K278 WeakPolarHBondContact OD2-CD 3.44Å; D145-K278 WeakPolarHBondContact OD2-CE 3.47Å; D145-K278 IonicContact OD2-NZ 2.73Å; D145-K278 PolarHBondContact OD2-NZ 3.05Å |
| 146 | M | 98.4 | Very high | 98.7 | Very high | 11 Ų | 11 | 20.8 Ų | 20.8 | 5% | 0.054 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 161.4 | -170.1 | -59.6 | -74.3 | -173.5 | 0 | 0 | 109.9 | D143 V144 A200 L256 F273 T274 A275 | D143-M146 HydrophobicContact CB-CE 4.28Å; D143-M146 HydrophobicContact CB-CG 4.3Å; V144-M146 PolarHBondContact O-N 3.02Å; M146-A200 HydrophobicContact CE-CB 4.05Å; M146-L256 HydrophobicContact CE-CD1 3.46Å; M146-L256 VanDerWaalsContact CE-CD1 3.46Å; M146-L256 HydrophobicContact CE-CD2 3.93Å; M146-L256 HydrophobicContact CE-CG 3.9Å; M146-L256 HydrophobicContact SD-CD1 4.26Å; M146-L256 HydrophobicContact SD-CG 4.33Å; M146-F273 HydrophobicContact CB-CD1 4.38Å; M146-F273 HydrophobicContact CB-CD2 4.03Å; M146-F273 HydrophobicContact CB-CE1 3.7Å; M146-F273 HydrophobicContact CB-CE2 3.27Å; M146-F273 HydrophobicContact CB-CZ 3.08Å; M146-F273 HydrophobicContact CG-CD1 4.45Å; M146-F273 HydrophobicContact CG-CE1 3.63Å; M146-F273 HydrophobicContact CG-CE2 4.16Å; M146-F273 HydrophobicContact CG-CZ 3.48Å; M146-F273 VanDerWaalsContact CG-CZ 3.48Å; M146-F273 HydrophobicContact SD-CE1 4.26Å; M146-T274 CarbonylContact C-O 3.5Å; M146-T274 VanDerWaalsContact CA-O 3.28Å; M146-T274 WeakPolarHBondContact CA-O 3.27Å; M146-A275 WeakPolarHBondContact SD-CA 3.24Å; M146-A275 HydrophobicContact SD-CB 4.07Å |
| 147 | E | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 20.5 Ų | 20.5 | 15% | 0.15 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.1 | 172.2 | 65.7 | 176.5 | 158.2 | 0 | 0 | 111 | L64 T68 R149 F273 T274 V276 | L64-E147 HydrophobicContact CD1-CB 4.49Å; L64-E147 HydrophobicContact CD2-CB 4.04Å; L64-E147 HydrophobicContact CG-CB 3.96Å; T68-E147 HydrophobicContact CG2-CB 4.29Å; E147-R149 HydrophobicContact CG-CG 4.13Å; E147-R149 IonicContact OE1-CZ 2.79Å; E147-R149 IonicContact OE1-NE 2.75Å; E147-R149 PolarHBondContact OE1-NE 2.83Å; E147-R149 IonicContact OE1-NH2 2.64Å; E147-R149 PolarHBondContact OE1-NH2 3.2Å; E147-F273 CarbonylContact O-C 3.54Å; E147-F273 WeakPolarHBondContact O-CA 3.38Å; E147-F273 WeakPolarHBondContact O-CD2 3.43Å; E147-T274 WeakPolarHBondContact CG-OG1 3.44Å; E147-T274 PolarHBondContact N-O 2.75Å; E147-T274 PolarHBondContact O-N 3.3Å; E147-V276 HydrophobicContact CB-CG2 4.13Å; E147-V276 HydrophobicContact CG-CG2 4.24Å |
| 148 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.2 | 171.5 | -60.4 | -97.9 | 0 | 0 | 0 | 110 | L50 F65 T68 A69 H72 F73 V152 R272 F273 | L50-F148 HydrophobicContact CD2-CZ 4.39Å; F65-F148 HydrophobicContact CD2-CE2 4.24Å; F65-F148 AromaticContact CE2-CE2 3.84Å; F65-F148 HydrophobicContact CE2-CE2 3.84Å; F65-F148 HydrophobicContact CE2-CZ 4.39Å; F65-F148 HydrophobicContact CZ-CE2 4.04Å; F65-F148 HydrophobicContact CZ-CZ 4.48Å; T68-F148 VanDerWaalsContact CB-O 3.24Å; T68-F148 WeakPolarHBondContact CB-O 3.27Å; T68-F148 WeakPolarHBondContact CG2-O 3.35Å; T68-F148 PolarHBondContact OG1-N 3.12Å; A69-F148 HydrophobicContact CB-CD2 3.78Å; A69-F148 HydrophobicContact CB-CE2 3.65Å; A69-F148 HydrophobicContact CB-CZ 4.45Å; H72-F148 HydrophobicContact CB-CB 3.68Å; H72-F148 HydrophobicContact CB-CG 4.44Å; H72-F148 PolarHBondContact CD2-O 2.71Å; H72-F148 VanDerWaalsContact CD2-O 3.3Å; F73-F148 HydrophobicContact CB-CD1 4.44Å; F73-F148 HydrophobicContact CB-CE1 4.16Å; F73-F148 HydrophobicContact CB-CZ 4.34Å; F73-F148 AromaticContact CD2-CE1 3.95Å; F73-F148 HydrophobicContact CD2-CE1 3.95Å; F73-F148 HydrophobicContact CD2-CZ 4.21Å; F73-F148 HydrophobicContact CG-CE1 4.41Å; F73-F148 HydrophobicContact CG-CZ 4.46Å; F148-V152 HydrophobicContact CD1-CB 4.21Å; F148-V152 HydrophobicContact CD1-CG2 3.85Å; F148-V152 HydrophobicContact CE1-CB 4.21Å; F148-V152 HydrophobicContact CE1-CG1 4.42Å; F148-V152 HydrophobicContact CE1-CG2 4.11Å; F148-R272 CarbonylContact C-O 3.51Å; F148-R272 WeakPolarHBondContact CA-O 3.34Å; F148-F273 HydrophobicContact CD1-CB 4.31Å; F148-F273 AromaticContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CE2 4.31Å; F148-F273 HydrophobicContact CD1-CG 4.31Å; F148-F273 AromaticContact CD2-CD2 3.85Å; F148-F273 HydrophobicContact CD2-CD2 3.85Å; F148-F273 AromaticContact CD2-CE2 3.86Å; F148-F273 HydrophobicContact CD2-CE2 3.86Å; F148-F273 AromaticContact CE1-CD2 3.65Å; F148-F273 HydrophobicContact CE1-CD2 3.65Å; F148-F273 AromaticContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CG 4.23Å; F148-F273 AromaticContact CE2-CD2 3.85Å; F148-F273 HydrophobicContact CE2-CD2 3.85Å; F148-F273 AromaticContact CE2-CE2 3.51Å; F148-F273 HydrophobicContact CE2-CE2 3.51Å; F148-F273 HydrophobicContact CE2-CZ 4.48Å; F148-F273 AromaticContact CG-CD2 3.74Å; F148-F273 HydrophobicContact CG-CD2 3.74Å; F148-F273 HydrophobicContact CG-CE2 4.24Å; F148-F273 AromaticContact CZ-CD2 3.75Å; F148-F273 HydrophobicContact CZ-CD2 3.75Å; F148-F273 AromaticContact CZ-CE2 3.58Å; F148-F273 HydrophobicContact CZ-CE2 3.58Å; F148-F273 HydrophobicContact CZ-CZ 4.32Å |
| 149 | R | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 18.5 Ų | 18.5 | 39% | 0.392 | 9% | 0.093 | S | C | . | . | trans | -122.5 | -17.9 | -179.3 | -66.3 | -171.2 | 174.4 | -179.3 | 5.9 | 113.8 | E147 L271 R272 T274 | E147-R149 HydrophobicContact CG-CG 4.13Å; E147-R149 IonicContact OE1-CZ 2.79Å; E147-R149 IonicContact OE1-NE 2.75Å; E147-R149 PolarHBondContact OE1-NE 2.83Å; E147-R149 IonicContact OE1-NH2 2.64Å; E147-R149 PolarHBondContact OE1-NH2 3.2Å; R149-L271 WeakPolarHBondContact CB-O 3.35Å; R149-R272 PolarHBondContact N-O 3.31Å; R149-T274 VanDerWaalsContact CD-OG1 3.32Å; R149-T274 WeakPolarHBondContact CD-OG1 3.22Å; R149-T274 PolarHBondContact NE-OG1 3.36Å; R149-T274 VanDerWaalsContact NE-OG1 3.1Å | ||
| 150 | D | 98.9 | Very high | 98.7 | Very high | 44 Ų | 44 | 18.7 Ų | 18.7 | 24% | 0.235 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -150.7 | 173.1 | 177.6 | -152.8 | -38.3 | 0 | 0 | 0 | 109.1 | H72 V152 K270 R272 | H72-D150 WeakPolarHBondContact CB-O 3.27Å; D150-V152 PolarHBondContact O-N 3.09Å; D150-K270 IonicContact OD1-NZ 2.89Å; D150-K270 PolarHBondContact OD1-NZ 3.02Å; D150-K270 WeakPolarHBondContact OD2-CD 3.4Å; D150-K270 WeakPolarHBondContact OD2-CG 3.14Å; D150-K270 IonicContact OD2-NZ 3.23Å; D150-K270 PolarHBondContact OD2-NZ 3.39Å; D150-R272 HydrophobicContact CB-CB 4.37Å; D150-R272 HydrophobicContact CB-CG 4.23Å; D150-R272 PolarHBondContact N-O 2.81Å |
| 151 | H | 98.9 | Very high | 98.7 | Very high | 53 Ų | 53 | 18.7 Ų | 18.7 | 25% | 0.245 | 9% | 0.094 | C | C | . | . | trans | -49.8 | 125.7 | -176.7 | 175.5 | 83.6 | 0 | 0 | 0 | 113.4 | I34 G153 E155 R272 | I34-H151 WeakPolarHBondContact CD1-NE2 3.43Å; H151-G153 WeakPolarHBondContact NE2-CA 3.39Å; H151-G153 PolarHBondContact NE2-N 2.96Å; H151-E155 IonicContact CD2-OE1 3.81Å; H151-E155 PolarHBondContact CD2-OE1 3.37Å; H151-E155 IonicContact CD2-OE2 3.08Å; H151-E155 IonicContact CE1-OE2 2.83Å; H151-E155 IonicContact NE2-OE1 3.58Å; H151-E155 PolarHBondContact NE2-OE1 3.47Å; H151-E155 IonicContact NE2-OE2 3.41Å; H151-E155 PolarHBondContact NE2-OE2 2.84Å; H151-R272 WeakPolarHBondContact O-CD 3.35Å; H151-R272 PolarHBondContact O-NH1 3.35Å | ||
| 152 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -128.3 | 103.5 | 165.4 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | H72 F73 M74 F148 D150 I156 F201 Y255 R272 | H72-V152 PolarHBondContact O-N 3.47Å; H72-V152 VanDerWaalsContact O-O 3.14Å; F73-V152 WeakPolarHBondContact CA-O 3.44Å; F73-V152 HydrophobicContact CD2-CB 4.35Å; F73-V152 HydrophobicContact CD2-CG1 3.98Å; F73-V152 HydrophobicContact CE2-CG1 4.33Å; M74-V152 PolarHBondContact N-O 2.63Å; F148-V152 HydrophobicContact CD1-CB 4.21Å; F148-V152 HydrophobicContact CD1-CG2 3.85Å; F148-V152 HydrophobicContact CE1-CB 4.21Å; F148-V152 HydrophobicContact CE1-CG1 4.42Å; F148-V152 HydrophobicContact CE1-CG2 4.11Å; D150-V152 PolarHBondContact O-N 3.09Å; V152-I156 HydrophobicContact CG1-CD1 3.93Å; V152-I156 HydrophobicContact CG1-CG2 4.48Å; V152-F201 HydrophobicContact CG1-CZ 4.1Å; V152-Y255 HydrophobicContact CG1-CD1 4.18Å; V152-Y255 HydrophobicContact CG1-CE1 4.28Å; V152-Y255 HydrophobicContact CG2-CD1 4.19Å; V152-Y255 HydrophobicContact CG2-CE1 4.4Å; V152-R272 HydrophobicContact CG2-CB 3.69Å |
| 153 | G | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | trans | -130.8 | -158.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M74 H151 E155 I156 | M74-G153 VanDerWaalsContact CE-C 3.5Å; M74-G153 WeakPolarHBondContact CE-O 3.31Å; H151-G153 WeakPolarHBondContact NE2-CA 3.39Å; H151-G153 PolarHBondContact NE2-N 2.96Å; G153-E155 WeakPolarHBondContact CA-OE2 3.39Å; G153-E155 PolarHBondContact N-OE1 2.91Å; G153-E155 PolarHBondContact N-OE2 3.21Å; G153-E155 PolarHBondContact O-N 3.31Å; G153-I156 WeakPolarHBondContact O-CG1 3.49Å; G153-I156 PolarHBondContact O-N 3.23Å; G153-I156 VanDerWaalsContact O-N 3.16Å | ||
| 154 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -65.1 | -11.1 | -172.9 | -64.3 | 0 | 0 | 0 | 0 | 114 | I34 L37 N38 F41 M74 H77 I156 L157 | I34-V154 HydrophobicContact CD1-CG2 4.24Å; L37-V154 HydrophobicContact CB-CG2 3.84Å; N38-V154 WeakPolarHBondContact OD1-CG2 3.49Å; F41-V154 HydrophobicContact CB-CB 4.2Å; F41-V154 HydrophobicContact CB-CG1 3.97Å; F41-V154 HydrophobicContact CB-CG2 4.47Å; F41-V154 HydrophobicContact CD2-CB 3.62Å; F41-V154 HydrophobicContact CD2-CG1 4.33Å; F41-V154 HydrophobicContact CD2-CG2 3.85Å; F41-V154 HydrophobicContact CE2-CB 4.14Å; F41-V154 HydrophobicContact CG-CB 3.93Å; F41-V154 HydrophobicContact CG-CG1 4.14Å; F41-V154 HydrophobicContact CG-CG2 4.42Å; M74-V154 HydrophobicContact SD-CG1 3.93Å; H77-V154 VanDerWaalsContact CE1-CG1 3.42Å; H77-V154 WeakPolarHBondContact CE1-CG1 3.43Å; H77-V154 WeakPolarHBondContact NE2-CG1 3.14Å; V154-I156 PolarHBondContact O-N 3.41Å; V154-L157 HydrophobicContact CB-CD1 4Å; V154-L157 HydrophobicContact CB-CG 4.43Å; V154-L157 HydrophobicContact CG1-CD1 3.78Å; V154-L157 WeakPolarHBondContact O-CB 3.25Å; V154-L157 PolarHBondContact O-N 2.81Å |
| 155 | E | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -59.4 | -24 | 172 | 75.3 | -76.3 | 175.8 | 0 | 0 | 113.4 | V27 F32 I34 L37 H151 G153 K249 Y255 | V27-E155 HydrophobicContact CG1-CB 4.35Å; V27-E155 HydrophobicContact CG1-CG 3.77Å; F32-E155 HydrophobicContact CD1-CB 4.09Å; F32-E155 HydrophobicContact CD1-CG 4.14Å; F32-E155 HydrophobicContact CD2-CB 3.88Å; F32-E155 HydrophobicContact CD2-CG 4.28Å; F32-E155 HydrophobicContact CE1-CB 4.27Å; F32-E155 HydrophobicContact CE1-CG 3.82Å; F32-E155 HydrophobicContact CE2-CB 4.05Å; F32-E155 HydrophobicContact CE2-CG 3.95Å; F32-E155 HydrophobicContact CG-CB 3.91Å; F32-E155 HydrophobicContact CG-CG 4.37Å; F32-E155 HydrophobicContact CZ-CB 4.25Å; F32-E155 HydrophobicContact CZ-CG 3.72Å; I34-E155 WeakPolarHBondContact CD1-OE2 3.47Å; L37-E155 HydrophobicContact CD1-CB 3.59Å; H151-E155 IonicContact CD2-OE1 3.81Å; H151-E155 PolarHBondContact CD2-OE1 3.37Å; H151-E155 IonicContact CD2-OE2 3.08Å; H151-E155 IonicContact CE1-OE2 2.83Å; H151-E155 IonicContact NE2-OE1 3.58Å; H151-E155 PolarHBondContact NE2-OE1 3.47Å; H151-E155 IonicContact NE2-OE2 3.41Å; H151-E155 PolarHBondContact NE2-OE2 2.84Å; G153-E155 WeakPolarHBondContact CA-OE2 3.39Å; G153-E155 PolarHBondContact N-OE1 2.91Å; G153-E155 PolarHBondContact N-OE2 3.21Å; G153-E155 PolarHBondContact O-N 3.31Å; E155-K249 WeakPolarHBondContact O-CD 3.18Å; E155-K249 PolarHBondContact O-NZ 2.73Å; E155-Y255 WeakPolarHBondContact CG-OH 3.36Å; E155-Y255 WeakPolarHBondContact OE1-CE1 3.35Å; E155-Y255 PolarHBondContact OE1-OH 2.83Å |
| 156 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -81.4 | -21.5 | 176.9 | 80.7 | -176.2 | 0 | 0 | 0 | 112.7 | M74 V140 V152 G153 V154 T158 F161 F201 L251 Y255 | M74-I156 HydrophobicContact CE-CD1 3.54Å; M74-I156 HydrophobicContact CE-CG1 3.67Å; V140-I156 HydrophobicContact CG2-CD1 3.99Å; V152-I156 HydrophobicContact CG1-CD1 3.93Å; V152-I156 HydrophobicContact CG1-CG2 4.48Å; G153-I156 WeakPolarHBondContact O-CG1 3.49Å; G153-I156 PolarHBondContact O-N 3.23Å; G153-I156 VanDerWaalsContact O-N 3.16Å; V154-I156 PolarHBondContact O-N 3.41Å; I156-T158 PolarHBondContact O-N 2.82Å; I156-F161 HydrophobicContact CD1-CZ 4.28Å; I156-F161 HydrophobicContact CG1-CE1 4.44Å; I156-F161 WeakPolarHBondContact O-CD1 3.49Å; I156-F201 HydrophobicContact CD1-CE1 4.12Å; I156-F201 HydrophobicContact CD1-CZ 3.99Å; I156-L251 HydrophobicContact CB-CD1 3.98Å; I156-L251 HydrophobicContact CB-CD2 3.78Å; I156-L251 HydrophobicContact CG2-CD1 3.89Å; I156-L251 HydrophobicContact CG2-CD2 3.79Å; I156-Y255 HydrophobicContact CG2-CD1 3.79Å; I156-Y255 HydrophobicContact CG2-CE1 3.33Å |
| 157 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | trans | -71.1 | 131.2 | -170.7 | -59.2 | -178.6 | 0 | 0 | 0 | 111.6 | F41 T46 I48 M74 Y138 V154 K249 | F41-L157 HydrophobicContact CD1-CD1 3.97Å; F41-L157 HydrophobicContact CE1-CB 3.81Å; F41-L157 HydrophobicContact CE1-CD1 3.97Å; F41-L157 HydrophobicContact CZ-CB 3.8Å; T46-L157 HydrophobicContact CG2-CD1 4.04Å; I48-L157 HydrophobicContact CD1-CD1 4.23Å; I48-L157 HydrophobicContact CG1-CD1 3.78Å; I48-L157 HydrophobicContact CG1-CD2 4.15Å; I48-L157 HydrophobicContact CG2-CD2 4.34Å; M74-L157 HydrophobicContact CE-CD1 4.48Å; M74-L157 HydrophobicContact CE-CD2 3.74Å; M74-L157 HydrophobicContact CE-CG 4.04Å; M74-L157 HydrophobicContact SD-CD1 4.49Å; Y138-L157 HydrophobicContact CD1-CB 4.29Å; Y138-L157 HydrophobicContact CD1-CD2 4.33Å; Y138-L157 HydrophobicContact CD2-CD1 4.11Å; Y138-L157 HydrophobicContact CD2-CD2 4.42Å; Y138-L157 HydrophobicContact CE1-CB 4.33Å; Y138-L157 HydrophobicContact CE2-CD1 4.5Å; Y138-L157 HydrophobicContact CG-CB 4.41Å; Y138-L157 HydrophobicContact CG-CD1 4.45Å; Y138-L157 HydrophobicContact CG-CD2 3.94Å; Y138-L157 HydrophobicContact CG-CG 4.49Å; V154-L157 HydrophobicContact CB-CD1 4Å; V154-L157 HydrophobicContact CB-CG 4.43Å; V154-L157 HydrophobicContact CG1-CD1 3.78Å; V154-L157 WeakPolarHBondContact O-CB 3.25Å; V154-L157 PolarHBondContact O-N 2.81Å; L157-K249 PolarHBondContact O-NZ 3.07Å | ||
| 158 | T | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 20.6 Ų | 20.6 | 9% | 0.092 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -170.4 | 167.4 | -176.1 | -165.2 | 0 | 0 | 0 | 0 | 108.6 | Y138 I156 L160 F161 G204 S205 T248 K249 | Y138-T158 WeakPolarHBondContact CE1-O 3.46Å; I156-T158 PolarHBondContact O-N 2.82Å; T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 VanDerWaalsContact CG2-O 3.27Å; T158-L160 WeakPolarHBondContact CG2-O 3.5Å; T158-L160 PolarHBondContact O-N 2.89Å; T158-F161 HydrophobicContact CG2-CB 3.74Å; T158-F161 HydrophobicContact CG2-CD1 4.12Å; T158-F161 HydrophobicContact CG2-CG 4.42Å; T158-G204 CarbonylContact O-C 3.1Å; T158-G204 VanDerWaalsContact O-CA 3.27Å; T158-G204 WeakPolarHBondContact O-CA 3.24Å; T158-S205 PolarHBondContact O-N 2.88Å; T158-T248 WeakPolarHBondContact CG2-OG1 3.49Å; T158-T248 WeakPolarHBondContact OG1-CB 3.39Å; T158-T248 PolarHBondContact OG1-OG1 3.5Å; T158-K249 HydrophobicContact CG2-CB 3.72Å; T158-K249 HydrophobicContact CG2-CD 4.07Å; T158-K249 HydrophobicContact CG2-CG 3.85Å |
| 159 | P | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 24.7 Ų | 24.7 | 42% | 0.422 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -51.7 | -45.9 | 175.7 | -32.9 | 38.2 | 0 | 0 | 0 | 114.1 | G204 S205 E208 T248 | P159-G204 CarbonylContact O-C 3.44Å; P159-G204 WeakPolarHBondContact O-CA 3.42Å; P159-S205 PolarHBondContact O-N 2.99Å; P159-S205 PolarHBondContact O-OG 2.84Å; P159-E208 HydrophobicContact CB-CG 4.16Å; P159-E208 WeakPolarHBondContact O-CB 3.47Å; P159-E208 VanDerWaalsContact O-CG 3.26Å; P159-E208 WeakPolarHBondContact O-CG 3.48Å; P159-T248 HydrophobicContact CB-CG2 4.34Å; P159-T248 WeakPolarHBondContact CD-OG1 3.2Å |
| 160 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131.8 | 177.6 | 179 | 63.4 | 0 | 0 | 0 | 111 | T158 E208 L212 Y241 L242 P247 T248 K249 | T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 VanDerWaalsContact CG2-O 3.27Å; T158-L160 WeakPolarHBondContact CG2-O 3.5Å; T158-L160 PolarHBondContact O-N 2.89Å; L160-E208 HydrophobicContact CB-CB 4.25Å; L160-E208 HydrophobicContact CB-CG 4.41Å; L160-E208 HydrophobicContact CD1-CB 4.49Å; L160-L212 HydrophobicContact CD1-CD1 3.7Å; L160-Y241 HydrophobicContact CD2-CE1 4.05Å; L160-L242 HydrophobicContact CD1-CD2 4.3Å; L160-L242 HydrophobicContact CD2-CD2 3.85Å; L160-L242 HydrophobicContact CG-CD2 4.1Å; L160-P247 HydrophobicContact CG-CB 4.3Å; L160-P247 CarbonylContact O-C 3.55Å; L160-P247 WeakPolarHBondContact O-CA 3.36Å; L160-T248 PolarHBondContact N-OG1 2.88Å; L160-T248 PolarHBondContact O-N 3.48Å; L160-T248 PolarHBondContact O-OG1 3.47Å; L160-K249 PolarHBondContact O-N 2.87Å |
| 161 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151 | 171.6 | 71 | -94.7 | 0 | 0 | 0 | 112.9 | V140 I156 T158 F201 F202 G203 K249 L251 | V140-F161 HydrophobicContact CG1-CZ 4.37Å; V140-F161 HydrophobicContact CG2-CE1 4.45Å; V140-F161 HydrophobicContact CG2-CZ 4.19Å; I156-F161 HydrophobicContact CD1-CZ 4.28Å; I156-F161 HydrophobicContact CG1-CE1 4.44Å; I156-F161 WeakPolarHBondContact O-CD1 3.49Å; T158-F161 HydrophobicContact CG2-CB 3.74Å; T158-F161 HydrophobicContact CG2-CD1 4.12Å; T158-F161 HydrophobicContact CG2-CG 4.42Å; F161-F201 AromaticContact CE2-CD1 3.66Å; F161-F201 HydrophobicContact CE2-CD1 3.66Å; F161-F201 AromaticContact CE2-CE1 3.56Å; F161-F201 HydrophobicContact CE2-CE1 3.56Å; F161-F201 HydrophobicContact CZ-CD1 4.22Å; F161-F201 AromaticContact CZ-CE1 3.81Å; F161-F201 HydrophobicContact CZ-CE1 3.81Å; F161-F202 VanDerWaalsContact CZ-C 3.5Å; F161-G203 VanDerWaalsContact CD1-C 3.41Å; F161-G203 WeakPolarHBondContact CD1-O 3.34Å; F161-G203 VanDerWaalsContact CZ-CA 3.42Å; F161-G203 VanDerWaalsContact CZ-N 3.34Å; F161-G203 PolarHBondContact N-O 2.8Å; F161-G203 PolarHBondContact O-N 2.73Å; F161-K249 VanDerWaalsContact CA-O 3.24Å; F161-K249 WeakPolarHBondContact CA-O 3.36Å; F161-K249 HydrophobicContact CB-CB 4.3Å; F161-K249 VanDerWaalsContact CB-O 3.27Å; F161-K249 WeakPolarHBondContact CB-O 3.39Å; F161-L251 HydrophobicContact CD2-CD1 3.63Å; F161-L251 HydrophobicContact CD2-CG 3.82Å; F161-L251 HydrophobicContact CE2-CD1 3.63Å; F161-L251 HydrophobicContact CE2-CG 4.34Å; F161-L251 HydrophobicContact CG-CG 4.48Å |
| 162 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V250 L251 | G162-V250 CarbonylContact O-C 3.59Å; G162-V250 WeakPolarHBondContact O-CA 3.48Å; G162-L251 PolarHBondContact O-N 2.99Å |
| 163 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.6 | -178.5 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | H165 Y197 L198 F201 L251 L256 | T163-H165 PolarHBondContact O-N 3.33Å; T163-Y197 CarbonylContact O-C 3.55Å; T163-Y197 VanDerWaalsContact O-CA 3.26Å; T163-Y197 WeakPolarHBondContact O-CA 3.32Å; T163-L198 PolarHBondContact O-N 2.96Å; T163-F201 VanDerWaalsContact CB-O 3.27Å; T163-F201 WeakPolarHBondContact CB-O 3.28Å; T163-F201 PolarHBondContact N-O 2.88Å; T163-F201 PolarHBondContact OG1-O 3.05Å; T163-L251 HydrophobicContact CG2-CB 3.99Å; T163-L256 HydrophobicContact CG2-CB 4.19Å |
| 164 | L | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.5 | 174.8 | -64.5 | -178.2 | 0 | 0 | 0 | 110.2 | I26 F195 V250 L251 P253 | I26-L164 HydrophobicContact CG2-CD1 4.32Å; L164-F195 HydrophobicContact CD2-CB 3.46Å; L164-F195 VanDerWaalsContact CD2-CB 3.46Å; L164-F195 HydrophobicContact CD2-CD1 3.44Å; L164-F195 VanDerWaalsContact CD2-CD1 3.44Å; L164-F195 HydrophobicContact CD2-CD2 4.3Å; L164-F195 HydrophobicContact CD2-CE1 4.23Å; L164-F195 HydrophobicContact CD2-CG 3.47Å; L164-F195 VanDerWaalsContact CD2-CG 3.47Å; L164-V250 HydrophobicContact CD1-CG1 4.33Å; L164-V250 HydrophobicContact CD2-CG1 3.64Å; L164-V250 HydrophobicContact CG-CG1 3.66Å; L164-L251 WeakPolarHBondContact CG-O 3.39Å; L164-L251 PolarHBondContact N-O 3.44Å; L164-P253 HydrophobicContact CB-CG 4.11Å |
| 165 | H | 98.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | trans | -66 | 132 | 176.8 | -172.7 | -58.7 | 0 | 0 | 0 | 110.6 | T163 S167 F168 Y169 Y196 L198 E235 | T163-H165 PolarHBondContact O-N 3.33Å; H165-S167 VanDerWaalsContact C-N 3.3Å; H165-S167 PolarHBondContact CE1-OG 2.8Å; H165-S167 PolarHBondContact ND1-N 2.89Å; H165-S167 PolarHBondContact O-N 2.75Å; H165-F168 HydrophobicContact CB-CB 4.48Å; H165-F168 HydrophobicContact CB-CD2 4.18Å; H165-F168 AromaticContact CE1-CD2 3.97Å; H165-F168 AromaticContact CG-CD2 3.74Å; H165-F168 AromaticContact ND1-CD2 3.53Å; H165-F168 PolarHBondContact O-N 2.91Å; H165-Y169 PolarHBondContact O-N 2.89Å; H165-Y196 HydrophobicContact CB-CD1 3.56Å; H165-Y196 HydrophobicContact CB-CE1 4.25Å; H165-Y196 VanDerWaalsContact CB-O 3.32Å; H165-Y196 WeakPolarHBondContact CB-O 3.27Å; H165-Y196 AromaticContact CD2-CD1 3.79Å; H165-Y196 AromaticContact CD2-CE1 3.55Å; H165-Y196 AromaticContact CG-CD1 3.77Å; H165-Y196 PolarHBondContact N-O 3.27Å; H165-L198 HydrophobicContact CB-CB 4.18Å; H165-L198 HydrophobicContact CB-CD1 4.28Å; H165-L198 WeakPolarHBondContact CD2-CD1 3.18Å; H165-L198 WeakPolarHBondContact NE2-CD1 3.19Å; H165-E235 IonicContact CD2-OE1 3.47Å; H165-E235 IonicContact CD2-OE2 3.52Å | ||
| 166 | P | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.9 | -170.5 | 28.2 | -38.7 | 0 | 0 | 0 | 114.3 | Y169 P253 L256 W257 L262 | P166-Y169 WeakPolarHBondContact O-CD1 3.28Å; P166-Y169 WeakPolarHBondContact O-CE1 3.47Å; P166-P253 HydrophobicContact CB-CB 4.33Å; P166-L256 HydrophobicContact CG-CD2 4.16Å; P166-W257 HydrophobicContact CB-CD2 4.24Å; P166-W257 HydrophobicContact CB-CE3 3.32Å; P166-W257 HydrophobicContact CB-CH2 4.46Å; P166-W257 HydrophobicContact CB-CZ3 3.45Å; P166-W257 VanDerWaalsContact CB-CZ3 3.45Å; P166-L262 HydrophobicContact CB-CD1 3.58Å; P166-L262 HydrophobicContact CG-CD1 4.14Å |
| 167 | S | 97.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.6 | 173.5 | -48.3 | 0 | 0 | 0 | 0 | 115.7 | H165 | H165-S167 VanDerWaalsContact C-N 3.3Å; H165-S167 PolarHBondContact CE1-OG 2.8Å; H165-S167 PolarHBondContact ND1-N 2.89Å; H165-S167 PolarHBondContact O-N 2.75Å |
| 168 | F | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -4.1 | -170 | -66.9 | -77.9 | 0 | 0 | 0 | 115.1 | H165 G170 S171 F176 T177 Y196 | H165-F168 HydrophobicContact CB-CB 4.48Å; H165-F168 HydrophobicContact CB-CD2 4.18Å; H165-F168 AromaticContact CE1-CD2 3.97Å; H165-F168 AromaticContact CG-CD2 3.74Å; H165-F168 AromaticContact ND1-CD2 3.53Å; H165-F168 PolarHBondContact O-N 2.91Å; F168-G170 PolarHBondContact O-N 2.84Å; F168-S171 WeakPolarHBondContact O-CB 3.4Å; F168-S171 PolarHBondContact O-N 2.94Å; F168-F176 HydrophobicContact CB-CD1 4.03Å; F168-F176 HydrophobicContact CB-CE1 3.99Å; F168-F176 AromaticContact CD1-CD1 3.97Å; F168-F176 HydrophobicContact CD1-CD1 3.97Å; F168-F176 HydrophobicContact CG-CD1 4.29Å; F168-F176 WeakPolarHBondContact O-CE1 3.12Å; F168-T177 HydrophobicContact CE1-CG2 4.12Å; F168-T177 HydrophobicContact CZ-CG2 3.69Å; F168-Y196 HydrophobicContact CB-CD1 4.21Å; F168-Y196 HydrophobicContact CB-CG 4.25Å; F168-Y196 AromaticContact CD2-CD1 3.37Å; F168-Y196 HydrophobicContact CD2-CD1 3.37Å; F168-Y196 AromaticContact CD2-CE1 3.8Å; F168-Y196 HydrophobicContact CD2-CE1 3.8Å; F168-Y196 HydrophobicContact CD2-CG 4.03Å; F168-Y196 AromaticContact CE2-CD1 3.92Å; F168-Y196 HydrophobicContact CE2-CD1 3.92Å; F168-Y196 AromaticContact CE2-CE1 3.86Å; F168-Y196 HydrophobicContact CE2-CE1 3.86Å; F168-Y196 AromaticContact CG-CD1 3.95Å; F168-Y196 HydrophobicContact CG-CD1 3.95Å; F168-Y196 HydrophobicContact CG-CG 4.16Å |
| 169 | Y | 97.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 35% | 0.345 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.4 | -176.3 | 72.2 | -84.7 | 0 | 0 | 0 | 115 | H165 P166 P253 W257 V267 | H165-Y169 PolarHBondContact O-N 2.89Å; P166-Y169 WeakPolarHBondContact O-CD1 3.28Å; P166-Y169 WeakPolarHBondContact O-CE1 3.47Å; Y169-P253 HydrophobicContact CD1-CB 4.39Å; Y169-P253 HydrophobicContact CD1-CG 3.67Å; Y169-P253 HydrophobicContact CD2-CG 4.24Å; Y169-P253 HydrophobicContact CE1-CG 4.38Å; Y169-P253 HydrophobicContact CG-CG 3.59Å; Y169-W257 HydrophobicContact CD1-CZ3 4.33Å; Y169-W257 AromaticContact CE1-CH2 3.8Å; Y169-W257 HydrophobicContact CE1-CH2 3.8Å; Y169-W257 AromaticContact CE1-CZ3 3.75Å; Y169-W257 HydrophobicContact CE1-CZ3 3.75Å; Y169-V267 HydrophobicContact CE2-CG1 4.2Å |
| 170 | G | 96.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F168 | F168-G170 PolarHBondContact O-N 2.84Š|
| 171 | S | 98 | Very high | 98.3 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -87.6 | 152.5 | -175.9 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | F168 F176 | F168-S171 WeakPolarHBondContact O-CB 3.4Å; F168-S171 PolarHBondContact O-N 2.94Å; S171-F176 WeakPolarHBondContact O-CE1 3.4Å |
| 172 | S | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | trans | -75.4 | 155.4 | 170.6 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | E174 A175 F176 | S172-E174 VanDerWaalsContact CB-CD 3.42Å; S172-E174 WeakPolarHBondContact CB-OE1 3.45Å; S172-E174 WeakPolarHBondContact CB-OE2 3.39Å; S172-E174 PolarHBondContact O-N 2.98Å; S172-E174 PolarHBondContact OG-OE1 3.43Å; S172-E174 PolarHBondContact OG-OE2 2.9Å; S172-A175 WeakPolarHBondContact O-CB 3.41Å; S172-A175 PolarHBondContact O-N 2.81Å; S172-F176 PolarHBondContact O-N 2.82Å | ||
| 173 | R | 97.9 | Very high | 98.3 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.8 | -170.6 | 71.3 | 171.1 | 72.4 | 92.9 | -1 | 114.1 | A175 F176 R180 D191 G193 | R173-A175 VanDerWaalsContact C-N 3.26Å; R173-A175 PolarHBondContact O-N 3.12Å; R173-F176 HydrophobicContact CB-CD2 3.98Å; R173-F176 HydrophobicContact CB-CE2 3.99Å; R173-F176 VanDerWaalsContact O-CB 3.31Å; R173-F176 WeakPolarHBondContact O-CB 3.43Å; R173-F176 PolarHBondContact O-N 2.9Å; R173-R180 PolarHBondContact O-NH2 3.08Å; R173-D191 WeakPolarHBondContact CD-O 3.07Å; R173-G193 PolarHBondContact NE-O 3.25Å |
| 174 | E | 97 | Very high | 98.3 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.5 | 177.4 | 63.8 | -82.7 | -172.1 | 0 | 0 | 112.2 | S172 K190 | S172-E174 VanDerWaalsContact CB-CD 3.42Å; S172-E174 WeakPolarHBondContact CB-OE1 3.45Å; S172-E174 WeakPolarHBondContact CB-OE2 3.39Å; S172-E174 PolarHBondContact O-N 2.98Å; S172-E174 PolarHBondContact OG-OE1 3.43Å; S172-E174 PolarHBondContact OG-OE2 2.9Å; E174-K190 HydrophobicContact CB-CD 4.11Å; E174-K190 PolarHBondContact O-NZ 2.87Å |
| 175 | A | 98.3 | Very high | 98.3 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S172 R173 T177 | S172-A175 WeakPolarHBondContact O-CB 3.41Å; S172-A175 PolarHBondContact O-N 2.81Å; R173-A175 VanDerWaalsContact C-N 3.26Å; R173-A175 PolarHBondContact O-N 3.12Å; A175-T177 PolarHBondContact O-N 3.18Å |
| 176 | F | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -60.1 | 134 | 173.5 | -65.5 | -15.6 | 0 | 0 | 0 | 111 | F168 S171 S172 R173 Y178 R180 Y196 | F168-F176 HydrophobicContact CB-CD1 4.03Å; F168-F176 HydrophobicContact CB-CE1 3.99Å; F168-F176 AromaticContact CD1-CD1 3.97Å; F168-F176 HydrophobicContact CD1-CD1 3.97Å; F168-F176 HydrophobicContact CG-CD1 4.29Å; F168-F176 WeakPolarHBondContact O-CE1 3.12Å; S171-F176 WeakPolarHBondContact O-CE1 3.4Å; S172-F176 PolarHBondContact O-N 2.82Å; R173-F176 HydrophobicContact CB-CD2 3.98Å; R173-F176 HydrophobicContact CB-CE2 3.99Å; R173-F176 VanDerWaalsContact O-CB 3.31Å; R173-F176 WeakPolarHBondContact O-CB 3.43Å; R173-F176 PolarHBondContact O-N 2.9Å; F176-Y178 HydrophobicContact CB-CD2 4.03Å; F176-Y178 HydrophobicContact CB-CE1 4.37Å; F176-Y178 HydrophobicContact CB-CE2 3.88Å; F176-Y178 HydrophobicContact CB-CG 4.34Å; F176-Y178 HydrophobicContact CD2-CE1 4.41Å; F176-Y178 AromaticContact CD2-CE2 3.64Å; F176-Y178 HydrophobicContact CD2-CE2 3.64Å; F176-Y178 AromaticContact CD2-CZ 3.54Å; F176-Y178 VanDerWaalsContact CD2-OH 3.3Å; F176-Y178 WeakPolarHBondContact CD2-OH 3.33Å; F176-Y178 HydrophobicContact CG-CE2 4.27Å; F176-Y178 PolarHBondContact O-N 3.37Å; F176-R180 PolarHBondContact O-NH2 2.97Å; F176-Y196 HydrophobicContact CB-CD2 3.77Å; F176-Y196 HydrophobicContact CB-CG 4.39Å; F176-Y196 HydrophobicContact CD1-CG 4.47Å; F176-Y196 HydrophobicContact CG-CD2 4.18Å; F176-Y196 HydrophobicContact CG-CG 4.37Å |
| 177 | T | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | trans | -83.9 | 38.1 | -176.7 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | F168 A175 Y196 W232 | F168-T177 HydrophobicContact CE1-CG2 4.12Å; F168-T177 HydrophobicContact CZ-CG2 3.69Å; A175-T177 PolarHBondContact O-N 3.18Å; T177-Y196 VanDerWaalsContact OG1-CZ 3.22Å; T177-Y196 PolarHBondContact OG1-OH 2.88Å; T177-Y196 VanDerWaalsContact OG1-OH 3.08Å; T177-W232 VanDerWaalsContact CB-NE1 3.26Å; T177-W232 PolarHBondContact OG1-NE1 3.33Å; T177-W232 VanDerWaalsContact OG1-NE1 3.14Å | ||
| 178 | Y | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | trans | -57.8 | 159.1 | 171 | -57.3 | -44.4 | 0 | 0 | 0 | 111.2 | F176 R180 I188 F195 Y196 N239 | F176-Y178 HydrophobicContact CB-CD2 4.03Å; F176-Y178 HydrophobicContact CB-CE1 4.37Å; F176-Y178 HydrophobicContact CB-CE2 3.88Å; F176-Y178 HydrophobicContact CB-CG 4.34Å; F176-Y178 HydrophobicContact CD2-CE1 4.41Å; F176-Y178 AromaticContact CD2-CE2 3.64Å; F176-Y178 HydrophobicContact CD2-CE2 3.64Å; F176-Y178 AromaticContact CD2-CZ 3.54Å; F176-Y178 VanDerWaalsContact CD2-OH 3.3Å; F176-Y178 WeakPolarHBondContact CD2-OH 3.33Å; F176-Y178 HydrophobicContact CG-CE2 4.27Å; F176-Y178 PolarHBondContact O-N 3.37Å; Y178-R180 WeakPolarHBondContact O-CD 3.2Å; Y178-R180 VanDerWaalsContact O-CG 3.31Å; Y178-R180 WeakPolarHBondContact O-CG 3.3Å; Y178-R180 PolarHBondContact O-N 3.42Å; Y178-R180 PolarHBondContact O-NE 3.14Å; Y178-I188 HydrophobicContact CD1-CD1 3.68Å; Y178-I188 HydrophobicContact CD2-CB 3.79Å; Y178-I188 HydrophobicContact CD2-CD1 3.82Å; Y178-I188 HydrophobicContact CD2-CG1 4.41Å; Y178-I188 HydrophobicContact CD2-CG2 3.6Å; Y178-I188 HydrophobicContact CE1-CD1 3.97Å; Y178-I188 HydrophobicContact CE2-CB 4.49Å; Y178-I188 HydrophobicContact CE2-CD1 4.11Å; Y178-I188 HydrophobicContact CE2-CG2 3.91Å; Y178-I188 HydrophobicContact CG-CB 4.05Å; Y178-I188 HydrophobicContact CG-CD1 3.6Å; Y178-I188 HydrophobicContact CG-CG1 4.37Å; Y178-I188 HydrophobicContact CG-CG2 4.34Å; Y178-F195 PolarHBondContact OH-O 2.74Å; Y178-Y196 AromaticContact CD1-CD2 3.5Å; Y178-Y196 HydrophobicContact CD1-CD2 3.5Å; Y178-Y196 AromaticContact CD1-CE2 3.59Å; Y178-Y196 HydrophobicContact CD1-CE2 3.59Å; Y178-Y196 AromaticContact CE1-CD2 3.34Å; Y178-Y196 HydrophobicContact CE1-CD2 3.34Å; Y178-Y196 AromaticContact CE1-CE2 3.92Å; Y178-Y196 HydrophobicContact CE1-CE2 3.92Å; Y178-Y196 HydrophobicContact CE1-CG 4.32Å; Y178-Y196 HydrophobicContact CG-CD2 4.44Å; Y178-Y196 HydrophobicContact CG-CE2 4.48Å; Y178-N239 HydrophobicContact CD1-CB 3.78Å; Y178-N239 HydrophobicContact CE1-CB 3.63Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.42Å | ||
| 179 | E | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | trans | -60.4 | 125.9 | 166.5 | 179.4 | 54.4 | -107.1 | 0 | 0 | 110.2 | R181 A186 Y187 I188 A230 V231 | E179-R181 WeakPolarHBondContact OE1-CB 3.4Å; E179-R181 WeakPolarHBondContact OE1-CG 3.32Å; E179-R181 IonicContact OE1-CZ 3.72Å; E179-R181 PolarHBondContact OE1-N 2.92Å; E179-R181 IonicContact OE1-NE 3.97Å; E179-R181 PolarHBondContact OE1-NE 2.61Å; E179-R181 IonicContact OE1-NH2 2.71Å; E179-R181 IonicContact OE2-CZ 3.28Å; E179-R181 IonicContact OE2-NE 2.93Å; E179-R181 PolarHBondContact OE2-NE 3.19Å; E179-R181 IonicContact OE2-NH2 2.75Å; E179-R181 PolarHBondContact OE2-NH2 3.44Å; E179-A186 HydrophobicContact CB-CB 3.8Å; E179-A186 HydrophobicContact CG-CB 4.19Å; E179-Y187 WeakPolarHBondContact O-CA 3.44Å; E179-I188 PolarHBondContact O-N 3.41Å; E179-A230 VanDerWaalsContact OE2-CA 3.32Å; E179-A230 WeakPolarHBondContact OE2-CA 3.37Å; E179-V231 HydrophobicContact CB-CG1 4.33Å; E179-V231 PolarHBondContact OE2-N 2.99Å | ||
| 180 | R | 98.8 | Very high | 98.4 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -113.9 | -3.8 | -175.4 | -56 | -50 | -176.4 | 161.8 | 3.1 | 113.2 | R173 F176 Y178 P182 Y187 I188 P189 | R173-R180 PolarHBondContact O-NH2 3.08Å; F176-R180 PolarHBondContact O-NH2 2.97Å; Y178-R180 WeakPolarHBondContact O-CD 3.2Å; Y178-R180 VanDerWaalsContact O-CG 3.31Å; Y178-R180 WeakPolarHBondContact O-CG 3.3Å; Y178-R180 PolarHBondContact O-N 3.42Å; Y178-R180 PolarHBondContact O-NE 3.14Å; R180-P182 WeakPolarHBondContact O-CD 3.11Å; R180-Y187 VanDerWaalsContact C-CD2 3.46Å; R180-Y187 WeakPolarHBondContact O-CD2 3.42Å; R180-Y187 WeakPolarHBondContact O-CE2 3.37Å; R180-I188 VanDerWaalsContact CD-O 3.31Å; R180-I188 WeakPolarHBondContact CD-O 3.21Å; R180-I188 PolarHBondContact NH1-O 3.08Å; R180-P189 VanDerWaalsContact NH1-C 3.27Å; R180-P189 PolarHBondContact NH1-O 3.12Å | ||
| 181 | R | 98.8 | Very high | 98.5 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | trans | -81.2 | 114.5 | 173.5 | -65.4 | 171.8 | -68.3 | 172 | 1.8 | 109.1 | E179 Q183 S184 I228 E229 | E179-R181 WeakPolarHBondContact OE1-CB 3.4Å; E179-R181 WeakPolarHBondContact OE1-CG 3.32Å; E179-R181 IonicContact OE1-CZ 3.72Å; E179-R181 PolarHBondContact OE1-N 2.92Å; E179-R181 IonicContact OE1-NE 3.97Å; E179-R181 PolarHBondContact OE1-NE 2.61Å; E179-R181 IonicContact OE1-NH2 2.71Å; E179-R181 IonicContact OE2-CZ 3.28Å; E179-R181 IonicContact OE2-NE 2.93Å; E179-R181 PolarHBondContact OE2-NE 3.19Å; E179-R181 IonicContact OE2-NH2 2.75Å; E179-R181 PolarHBondContact OE2-NH2 3.44Å; R181-Q183 PolarHBondContact O-N 2.85Å; R181-S184 PolarHBondContact O-N 3.41Å; R181-S184 VanDerWaalsContact O-N 3.08Å; R181-I228 HydrophobicContact CB-CD1 4.1Å; R181-E229 PolarHBondContact NH2-O 3.49Å | ||
| 182 | P | 98.7 | Very high | 98.6 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.8 | -177.6 | -24.1 | 35.3 | 0 | 0 | 0 | 114.8 | R180 S184 Y187 | R180-P182 WeakPolarHBondContact O-CD 3.11Å; P182-S184 VanDerWaalsContact C-N 3.28Å; P182-Y187 HydrophobicContact CB-CD1 4.3Å; P182-Y187 HydrophobicContact CB-CE1 4.33Å; P182-Y187 HydrophobicContact CB-CG 4.4Å; P182-Y187 HydrophobicContact CG-CD2 4.34Å; P182-Y187 HydrophobicContact CG-CE1 4.4Å; P182-Y187 HydrophobicContact CG-CE2 4.02Å |
| 183 | Q | 98.8 | Very high | 98.6 | Very high | 127 Ų | 127 | 57.1 Ų | 57.1 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.4 | 177.4 | -58.8 | 80.3 | 5.9 | 0 | 0 | 112.8 | R181 I228 | R181-Q183 PolarHBondContact O-N 2.85Å; Q183-I228 HydrophobicContact CB-CD1 4.11Å |
| 184 | S | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -86.6 | 141.9 | 178.7 | 167.4 | 0 | 0 | 0 | 0 | 111.6 | R181 P182 A186 Y187 D223 | R181-S184 PolarHBondContact O-N 3.41Å; R181-S184 VanDerWaalsContact O-N 3.08Å; P182-S184 VanDerWaalsContact C-N 3.28Å; S184-A186 PolarHBondContact O-N 2.82Å; S184-A186 PolarHBondContact OG-N 2.88Å; S184-Y187 VanDerWaalsContact O-CB 3.24Å; S184-Y187 WeakPolarHBondContact O-CB 3.26Å; S184-Y187 PolarHBondContact O-N 2.91Å; S184-D223 WeakPolarHBondContact CA-OD1 3.49Å; S184-D223 WeakPolarHBondContact CB-OD2 3.47Å; S184-D223 PolarHBondContact OG-OD2 3.25Å |
| 185 | Q | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.1 | 170.4 | -64.9 | -53.7 | -62.2 | 0 | 0 | 112.5 | Y187 A219 V222 D223 K240 | Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 3.38Å; Q185-A219 HydrophobicContact CB-CB 3.81Å; Q185-A219 HydrophobicContact CG-CB 4.33Å; Q185-V222 HydrophobicContact CG-CB 3.79Å; Q185-V222 HydrophobicContact CG-CG1 3.61Å; Q185-D223 WeakPolarHBondContact CG-OD1 3.37Å; Q185-D223 PolarHBondContact N-OD1 3.07Å; Q185-K240 WeakPolarHBondContact O-CG 3.28Å; Q185-K240 PolarHBondContact O-NZ 2.76Å |
| 186 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E179 S184 I188 A230 | E179-A186 HydrophobicContact CB-CB 3.8Å; E179-A186 HydrophobicContact CG-CB 4.19Å; S184-A186 PolarHBondContact O-N 2.82Å; S184-A186 PolarHBondContact OG-N 2.88Å; A186-I188 PolarHBondContact O-N 2.85Å; A186-A230 HydrophobicContact CB-CB 3.91Å |
| 187 | Y | 98.9 | Very high | 98.7 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | trans | -54.3 | 131.1 | -177 | 175 | -116.8 | 0 | 0 | 0 | 113.4 | E179 R180 P182 S184 Q185 P189 K240 | E179-Y187 WeakPolarHBondContact O-CA 3.44Å; R180-Y187 VanDerWaalsContact C-CD2 3.46Å; R180-Y187 WeakPolarHBondContact O-CD2 3.42Å; R180-Y187 WeakPolarHBondContact O-CE2 3.37Å; P182-Y187 HydrophobicContact CB-CD1 4.3Å; P182-Y187 HydrophobicContact CB-CE1 4.33Å; P182-Y187 HydrophobicContact CB-CG 4.4Å; P182-Y187 HydrophobicContact CG-CD2 4.34Å; P182-Y187 HydrophobicContact CG-CE1 4.4Å; P182-Y187 HydrophobicContact CG-CE2 4.02Å; S184-Y187 VanDerWaalsContact O-CB 3.24Å; S184-Y187 WeakPolarHBondContact O-CB 3.26Å; S184-Y187 PolarHBondContact O-N 2.91Å; Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 3.38Å; Y187-P189 HydrophobicContact CE1-CG 3.72Å; Y187-K240 PolarHBondContact O-NZ 3.43Å | ||
| 188 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -129.6 | 124.5 | 169.9 | -61.7 | 167.7 | 0 | 0 | 0 | 109.1 | Y178 E179 R180 A186 E192 N239 K240 L243 | Y178-I188 HydrophobicContact CD1-CD1 3.68Å; Y178-I188 HydrophobicContact CD2-CB 3.79Å; Y178-I188 HydrophobicContact CD2-CD1 3.82Å; Y178-I188 HydrophobicContact CD2-CG1 4.41Å; Y178-I188 HydrophobicContact CD2-CG2 3.6Å; Y178-I188 HydrophobicContact CE1-CD1 3.97Å; Y178-I188 HydrophobicContact CE2-CB 4.49Å; Y178-I188 HydrophobicContact CE2-CD1 4.11Å; Y178-I188 HydrophobicContact CE2-CG2 3.91Å; Y178-I188 HydrophobicContact CG-CB 4.05Å; Y178-I188 HydrophobicContact CG-CD1 3.6Å; Y178-I188 HydrophobicContact CG-CG1 4.37Å; Y178-I188 HydrophobicContact CG-CG2 4.34Å; E179-I188 PolarHBondContact O-N 3.41Å; R180-I188 VanDerWaalsContact CD-O 3.31Å; R180-I188 WeakPolarHBondContact CD-O 3.21Å; R180-I188 PolarHBondContact NH1-O 3.08Å; A186-I188 PolarHBondContact O-N 2.85Å; I188-E192 HydrophobicContact CG2-CB 3.83Å; I188-N239 HydrophobicContact CD1-CB 4.24Å; I188-K240 HydrophobicContact CD1-CB 4.46Å; I188-K240 HydrophobicContact CG1-CD 4.21Å; I188-L243 HydrophobicContact CB-CD2 4.44Å; I188-L243 HydrophobicContact CD1-CD2 4.06Å; I188-L243 HydrophobicContact CG1-CD2 3.87Å; I188-L243 HydrophobicContact CG2-CD2 3.75Å | ||
| 189 | P | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | trans | -58.7 | 159.2 | 172.8 | -27.9 | 37.4 | 0 | 0 | 0 | 114.3 | R180 Y187 D191 E192 | R180-P189 VanDerWaalsContact NH1-C 3.27Å; R180-P189 PolarHBondContact NH1-O 3.12Å; Y187-P189 HydrophobicContact CE1-CG 3.72Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.41Å; P189-D191 PolarHBondContact O-N 2.89Å; P189-E192 HydrophobicContact CB-CB 4.36Å; P189-E192 HydrophobicContact CB-CG 4.22Å; P189-E192 HydrophobicContact CG-CG 4.29Å; P189-E192 WeakPolarHBondContact CG-OE1 3.47Å; P189-E192 PolarHBondContact O-N 2.8Å | ||
| 190 | K | 98.3 | Very high | 98.2 | Very high | 120 Ų | 120 | 46.7 Ų | 46.7 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.3 | -176.2 | -79.4 | -78.6 | -178.2 | 170 | 0 | 113.6 | E174 | E174-K190 HydrophobicContact CB-CD 4.11Å; E174-K190 PolarHBondContact O-NZ 2.87Å |
| 191 | D | 98.4 | Very high | 98.2 | Very high | 124 Ų | 124 | 44 Ų | 44 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -8 | 177.8 | 58.3 | -26.3 | 0 | 0 | 0 | 113.4 | R173 P189 | R173-D191 WeakPolarHBondContact CD-O 3.07Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.41Å; P189-D191 PolarHBondContact O-N 2.89Å |
| 192 | E | 98.8 | Very high | 98.2 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 27% | 0.271 | 20% | 0.198 | S | C | . | . | trans | -99.7 | 157.2 | 173.7 | -68.6 | -170.1 | -131.8 | 0 | 0 | 112.4 | I188 P189 L243 R244 | I188-E192 HydrophobicContact CG2-CB 3.83Å; P189-E192 HydrophobicContact CB-CB 4.36Å; P189-E192 HydrophobicContact CB-CG 4.22Å; P189-E192 HydrophobicContact CG-CG 4.29Å; P189-E192 WeakPolarHBondContact CG-OE1 3.47Å; P189-E192 PolarHBondContact O-N 2.8Å; E192-L243 HydrophobicContact CB-CD2 4.29Å; E192-R244 IonicContact OE1-NH2 3.51Å; E192-R244 IonicContact OE2-CZ 3.23Å; E192-R244 VanDerWaalsContact OE2-CZ 3.23Å; E192-R244 IonicContact OE2-NH1 3.04Å; E192-R244 PolarHBondContact OE2-NH1 2.67Å; E192-R244 IonicContact OE2-NH2 2.73Å; E192-R244 PolarHBondContact OE2-NH2 3.46Å | ||
| 193 | G | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | trans | 120.7 | 126.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R173 | R173-G193 PolarHBondContact NE-O 3.25Š| ||
| 194 | D | 98.7 | Very high | 98.2 | Very high | 57 Ų | 57 | 29.1 Ų | 29.1 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -88.7 | -52.7 | 173.1 | -46.4 | -79.6 | 0 | 0 | 0 | 110.8 | W22 K246 | W22-D194 HydrophobicContact CH2-CB 3.72Å; W22-D194 HydrophobicContact CZ3-CB 3.68Å; W22-D194 VanDerWaalsContact CZ3-CG 3.46Å; W22-D194 WeakPolarHBondContact CZ3-OD1 3.48Å; D194-K246 IonicContact OD1-NZ 3.78Å; D194-K246 PolarHBondContact OD1-NZ 3.38Å; D194-K246 IonicContact OD2-NZ 2.63Å; D194-K246 PolarHBondContact OD2-NZ 3.25Å |
| 195 | F | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | trans | -147 | 153.3 | -178 | -57.8 | -77.3 | 0 | 0 | 0 | 110.7 | L17 T20 W22 I26 L164 Y178 Y197 | L17-F195 HydrophobicContact CD2-CZ 4.31Å; T20-F195 HydrophobicContact CG2-CE2 3.87Å; T20-F195 HydrophobicContact CG2-CZ 4.27Å; W22-F195 AromaticContact CH2-CD2 3.9Å; W22-F195 HydrophobicContact CH2-CD2 3.9Å; W22-F195 AromaticContact CH2-CE2 3.64Å; W22-F195 HydrophobicContact CH2-CE2 3.64Å; W22-F195 HydrophobicContact CZ2-CE2 4.36Å; W22-F195 HydrophobicContact CZ3-CE2 4.28Å; I26-F195 HydrophobicContact CD1-CE1 4.39Å; I26-F195 HydrophobicContact CD1-CZ 3.86Å; L164-F195 HydrophobicContact CD2-CB 3.46Å; L164-F195 VanDerWaalsContact CD2-CB 3.46Å; L164-F195 HydrophobicContact CD2-CD1 3.44Å; L164-F195 VanDerWaalsContact CD2-CD1 3.44Å; L164-F195 HydrophobicContact CD2-CD2 4.3Å; L164-F195 HydrophobicContact CD2-CE1 4.23Å; L164-F195 HydrophobicContact CD2-CG 3.47Å; L164-F195 VanDerWaalsContact CD2-CG 3.47Å; Y178-F195 PolarHBondContact OH-O 2.74Å; F195-Y197 HydrophobicContact CB-CD1 4.42Å; F195-Y197 HydrophobicContact CB-CE1 3.97Å; F195-Y197 HydrophobicContact CB-CE2 4.19Å; F195-Y197 HydrophobicContact CD2-CE1 4.23Å; F195-Y197 AromaticContact CD2-CZ 3.93Å; F195-Y197 WeakPolarHBondContact CD2-OH 3.4Å; F195-Y197 HydrophobicContact CG-CE1 4.47Å; F195-Y197 WeakPolarHBondContact O-CD2 3.43Å; F195-Y197 PolarHBondContact O-N 3.44Å | ||
| 196 | Y | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | trans | -87.8 | 106.1 | 166.4 | -162.5 | -98.4 | 0 | 0 | 0 | 109.6 | H165 F168 F176 T177 Y178 W232 E235 | H165-Y196 HydrophobicContact CB-CD1 3.56Å; H165-Y196 HydrophobicContact CB-CE1 4.25Å; H165-Y196 VanDerWaalsContact CB-O 3.32Å; H165-Y196 WeakPolarHBondContact CB-O 3.27Å; H165-Y196 AromaticContact CD2-CD1 3.79Å; H165-Y196 AromaticContact CD2-CE1 3.55Å; H165-Y196 AromaticContact CG-CD1 3.77Å; H165-Y196 PolarHBondContact N-O 3.27Å; F168-Y196 HydrophobicContact CB-CD1 4.21Å; F168-Y196 HydrophobicContact CB-CG 4.25Å; F168-Y196 AromaticContact CD2-CD1 3.37Å; F168-Y196 HydrophobicContact CD2-CD1 3.37Å; F168-Y196 AromaticContact CD2-CE1 3.8Å; F168-Y196 HydrophobicContact CD2-CE1 3.8Å; F168-Y196 HydrophobicContact CD2-CG 4.03Å; F168-Y196 AromaticContact CE2-CD1 3.92Å; F168-Y196 HydrophobicContact CE2-CD1 3.92Å; F168-Y196 AromaticContact CE2-CE1 3.86Å; F168-Y196 HydrophobicContact CE2-CE1 3.86Å; F168-Y196 AromaticContact CG-CD1 3.95Å; F168-Y196 HydrophobicContact CG-CD1 3.95Å; F168-Y196 HydrophobicContact CG-CG 4.16Å; F176-Y196 HydrophobicContact CB-CD2 3.77Å; F176-Y196 HydrophobicContact CB-CG 4.39Å; F176-Y196 HydrophobicContact CD1-CG 4.47Å; F176-Y196 HydrophobicContact CG-CD2 4.18Å; F176-Y196 HydrophobicContact CG-CG 4.37Å; T177-Y196 VanDerWaalsContact OG1-CZ 3.22Å; T177-Y196 PolarHBondContact OG1-OH 2.88Å; T177-Y196 VanDerWaalsContact OG1-OH 3.08Å; Y178-Y196 AromaticContact CD1-CD2 3.5Å; Y178-Y196 HydrophobicContact CD1-CD2 3.5Å; Y178-Y196 AromaticContact CD1-CE2 3.59Å; Y178-Y196 HydrophobicContact CD1-CE2 3.59Å; Y178-Y196 AromaticContact CE1-CD2 3.34Å; Y178-Y196 HydrophobicContact CE1-CD2 3.34Å; Y178-Y196 AromaticContact CE1-CE2 3.92Å; Y178-Y196 HydrophobicContact CE1-CE2 3.92Å; Y178-Y196 HydrophobicContact CE1-CG 4.32Å; Y178-Y196 HydrophobicContact CG-CD2 4.44Å; Y178-Y196 HydrophobicContact CG-CE2 4.48Å; Y196-W232 VanDerWaalsContact OH-CD1 3.25Å; Y196-E235 WeakPolarHBondContact CE1-OE1 3.39Å; Y196-E235 VanDerWaalsContact CZ-OE1 3.23Å; Y196-E235 PolarHBondContact OH-OE1 3.08Å | ||
| 197 | Y | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 151.4 | 178.4 | -55.8 | -75.9 | 0 | 0 | 0 | 111.3 | T163 F195 N239 L242 P247 V250 | T163-Y197 CarbonylContact O-C 3.55Å; T163-Y197 VanDerWaalsContact O-CA 3.26Å; T163-Y197 WeakPolarHBondContact O-CA 3.32Å; F195-Y197 HydrophobicContact CB-CD1 4.42Å; F195-Y197 HydrophobicContact CB-CE1 3.97Å; F195-Y197 HydrophobicContact CB-CE2 4.19Å; F195-Y197 HydrophobicContact CD2-CE1 4.23Å; F195-Y197 AromaticContact CD2-CZ 3.93Å; F195-Y197 WeakPolarHBondContact CD2-OH 3.4Å; F195-Y197 HydrophobicContact CG-CE1 4.47Å; F195-Y197 WeakPolarHBondContact O-CD2 3.43Å; F195-Y197 PolarHBondContact O-N 3.44Å; Y197-N239 PolarHBondContact N-OD1 3.06Å; Y197-N239 PolarHBondContact O-ND2 3.21Å; Y197-L242 HydrophobicContact CD1-CD1 4.02Å; Y197-L242 HydrophobicContact CD2-CB 3.75Å; Y197-L242 HydrophobicContact CD2-CD1 3.6Å; Y197-L242 HydrophobicContact CD2-CG 4.34Å; Y197-L242 HydrophobicContact CE1-CD1 4.46Å; Y197-L242 HydrophobicContact CE2-CB 3.66Å; Y197-L242 HydrophobicContact CE2-CD1 4.08Å; Y197-L242 HydrophobicContact CG-CD1 3.54Å; Y197-P247 HydrophobicContact CE1-CG 4.24Å; Y197-V250 HydrophobicContact CE1-CG1 4.02Å; Y197-V250 HydrophobicContact CE1-CG2 4.06Å |
| 198 | L | 94.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.2 | -175.3 | -173.5 | 78.8 | 0 | 0 | 0 | 112.1 | T163 H165 A200 E235 L238 L256 | T163-L198 PolarHBondContact O-N 2.96Å; H165-L198 HydrophobicContact CB-CB 4.18Å; H165-L198 HydrophobicContact CB-CD1 4.28Å; H165-L198 WeakPolarHBondContact CD2-CD1 3.18Å; H165-L198 WeakPolarHBondContact NE2-CD1 3.19Å; L198-A200 HydrophobicContact CD2-CB 3.87Å; L198-A200 HydrophobicContact CG-CB 3.91Å; L198-A200 PolarHBondContact O-N 2.61Å; L198-E235 WeakPolarHBondContact CA-OE2 3.2Å; L198-E235 WeakPolarHBondContact CD1-OE2 3.39Å; L198-L238 VanDerWaalsContact O-CD2 3.26Å; L198-L238 WeakPolarHBondContact O-CD2 3.38Å; L198-L256 HydrophobicContact CD2-CB 3.78Å; L198-L256 HydrophobicContact CD2-CD1 3.18Å; L198-L256 HydrophobicContact CD2-CD2 3.23Å; L198-L256 HydrophobicContact CD2-CG 3.49Å; L198-L256 VanDerWaalsContact CD2-CG 3.49Å; L198-L256 HydrophobicContact CG-CD1 4.46Å |
| 199 | G | 95.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -12.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R120 E235 | R120-G199 PolarHBondContact NH2-O 3.47Å; R120-G199 VanDerWaalsContact NH2-O 3.09Å; G199-E235 PolarHBondContact N-OE2 2.67Å |
| 200 | A | 96.3 | Very high | 98.2 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -4.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V142 D143 M146 L198 L256 | V142-A200 WeakPolarHBondContact CA-O 3.19Å; D143-A200 HydrophobicContact CB-CB 3.89Å; D143-A200 VanDerWaalsContact CG-CB 3.45Å; D143-A200 PolarHBondContact N-O 3.17Å; D143-A200 VanDerWaalsContact N-O 3.08Å; D143-A200 WeakPolarHBondContact OD2-CB 2.8Å; M146-A200 HydrophobicContact CE-CB 4.05Å; L198-A200 HydrophobicContact CD2-CB 3.87Å; L198-A200 HydrophobicContact CG-CB 3.91Å; L198-A200 PolarHBondContact O-N 2.61Å; A200-L256 HydrophobicContact CB-CD1 3.67Å |
| 201 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 103.6 | 174.1 | -161.5 | -23.6 | 0 | 0 | 0 | 111.8 | V140 C141 V142 V152 I156 F161 T163 L251 Y255 L256 F273 | V140-F201 HydrophobicContact CG1-CD1 4.15Å; V140-F201 HydrophobicContact CG1-CE1 3.47Å; V140-F201 VanDerWaalsContact CG1-CE1 3.47Å; V140-F201 HydrophobicContact CG1-CZ 4.08Å; C141-F201 WeakPolarHBondContact O-CA 3.39Å; V142-F201 HydrophobicContact CG1-CB 4.23Å; V142-F201 HydrophobicContact CG1-CD1 3.7Å; V142-F201 HydrophobicContact CG1-CD2 4.01Å; V142-F201 HydrophobicContact CG1-CE1 4.06Å; V142-F201 HydrophobicContact CG1-CE2 4.32Å; V142-F201 HydrophobicContact CG1-CG 3.71Å; V142-F201 HydrophobicContact CG1-CZ 4.35Å; V152-F201 HydrophobicContact CG1-CZ 4.1Å; I156-F201 HydrophobicContact CD1-CE1 4.12Å; I156-F201 HydrophobicContact CD1-CZ 3.99Å; F161-F201 AromaticContact CE2-CD1 3.66Å; F161-F201 HydrophobicContact CE2-CD1 3.66Å; F161-F201 AromaticContact CE2-CE1 3.56Å; F161-F201 HydrophobicContact CE2-CE1 3.56Å; F161-F201 HydrophobicContact CZ-CD1 4.22Å; F161-F201 AromaticContact CZ-CE1 3.81Å; F161-F201 HydrophobicContact CZ-CE1 3.81Å; T163-F201 VanDerWaalsContact CB-O 3.27Å; T163-F201 WeakPolarHBondContact CB-O 3.28Å; T163-F201 PolarHBondContact N-O 2.88Å; T163-F201 PolarHBondContact OG1-O 3.05Å; F201-L251 HydrophobicContact CD1-CD1 4.36Å; F201-L251 HydrophobicContact CE1-CD1 3.93Å; F201-L251 HydrophobicContact CZ-CD1 4.07Å; F201-Y255 WeakPolarHBondContact CD2-O 3.5Å; F201-Y255 VanDerWaalsContact CE2-O 3.3Å; F201-Y255 WeakPolarHBondContact CE2-O 3.33Å; F201-L256 HydrophobicContact CB-CD1 4Å; F201-F273 AromaticContact CD2-CD1 3.78Å; F201-F273 HydrophobicContact CD2-CD1 3.78Å; F201-F273 HydrophobicContact CD2-CE1 4.13Å; F201-F273 HydrophobicContact CE2-CD1 4.1Å |
| 202 | F | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 173.8 | 171.1 | 64.6 | -87.8 | 0 | 0 | 0 | 110.1 | M121 I124 C141 F161 L212 T213 L238 | M121-F202 HydrophobicContact CE-CE1 4.05Å; M121-F202 HydrophobicContact CE-CZ 4.03Å; M121-F202 HydrophobicContact SD-CZ 4.08Å; I124-F202 HydrophobicContact CD1-CZ 4.22Å; C141-F202 HydrophobicContact CB-CD1 4.28Å; C141-F202 HydrophobicContact CB-CD2 4.05Å; C141-F202 HydrophobicContact CB-CE1 3.87Å; C141-F202 HydrophobicContact CB-CE2 3.61Å; C141-F202 HydrophobicContact CB-CG 4.37Å; C141-F202 HydrophobicContact CB-CZ 3.51Å; C141-F202 PolarHBondContact N-O 2.69Å; C141-F202 PolarHBondContact O-N 3.1Å; C141-F202 VanDerWaalsContact O-N 3.12Å; F161-F202 VanDerWaalsContact CZ-C 3.5Å; F202-L212 HydrophobicContact CD2-CD1 4.4Å; F202-L212 HydrophobicContact CD2-CD2 4.11Å; F202-L212 HydrophobicContact CE2-CD2 3.87Å; F202-L212 HydrophobicContact CZ-CD2 4.48Å; F202-T213 HydrophobicContact CE2-CG2 4.01Å; F202-T213 HydrophobicContact CZ-CG2 4.32Å; F202-L238 HydrophobicContact CB-CD1 4.41Å; F202-L238 HydrophobicContact CD1-CD2 4.25Å; F202-L238 HydrophobicContact CG-CD1 4.39Å |
| 203 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -166.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L139 F161 | L139-G203 CarbonylContact O-C 3.56Å; L139-G203 WeakPolarHBondContact O-CA 3.5Å; F161-G203 VanDerWaalsContact CD1-C 3.41Å; F161-G203 WeakPolarHBondContact CD1-O 3.34Å; F161-G203 VanDerWaalsContact CZ-CA 3.42Å; F161-G203 VanDerWaalsContact CZ-N 3.34Å; F161-G203 PolarHBondContact N-O 2.8Å; F161-G203 PolarHBondContact O-N 2.73Å |
| 204 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -165 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y138 L139 T158 P159 V209 | Y138-G204 CarbonylContact C-O 3.44Å; Y138-G204 VanDerWaalsContact CA-O 3.25Å; Y138-G204 WeakPolarHBondContact CA-O 3.38Å; Y138-G204 WeakPolarHBondContact CB-O 3.26Å; L139-G204 PolarHBondContact N-O 2.76Å; L139-G204 PolarHBondContact O-N 2.78Å; T158-G204 CarbonylContact O-C 3.1Å; T158-G204 VanDerWaalsContact O-CA 3.27Å; T158-G204 WeakPolarHBondContact O-CA 3.24Å; P159-G204 CarbonylContact O-C 3.44Å; P159-G204 WeakPolarHBondContact O-CA 3.42Å; G204-V209 VanDerWaalsContact N-CG2 3.34Å |
| 205 | S | 98.9 | Very high | 98.3 | Very high | 26 Ų | 26 | 23.5 Ų | 23.5 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 151.9 | 164.7 | 68.1 | 0 | 0 | 0 | 0 | 110 | T158 P159 Q207 E208 V209 | T158-S205 PolarHBondContact O-N 2.88Å; P159-S205 PolarHBondContact O-N 2.99Å; P159-S205 PolarHBondContact O-OG 2.84Å; S205-Q207 PolarHBondContact O-N 3.05Å; S205-Q207 VanDerWaalsContact O-N 3.15Å; S205-E208 PolarHBondContact O-N 3.18Å; S205-E208 VanDerWaalsContact O-N 3.12Å; S205-E208 WeakPolarHBondContact OG-CG 3.25Å; S205-E208 PolarHBondContact OG-N 3.19Å; S205-V209 WeakPolarHBondContact O-CG2 3.2Å; S205-V209 PolarHBondContact O-N 3.09Å |
| 206 | V | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.036 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.5 | -39.7 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | C128 F132 L133 V136 D137 L139 V209 Q210 | C128-V206 HydrophobicContact CB-CG1 4.25Å; F132-V206 HydrophobicContact CB-CG1 3.86Å; F132-V206 HydrophobicContact CB-CG2 4.29Å; L133-V206 HydrophobicContact CB-CG1 4.49Å; L133-V206 HydrophobicContact CD2-CB 4.13Å; L133-V206 HydrophobicContact CD2-CG1 3.63Å; L133-V206 HydrophobicContact CG-CG1 3.77Å; V136-V206 HydrophobicContact CG2-CG2 3.77Å; V136-V206 VanDerWaalsContact O-CG2 3.23Å; V136-V206 WeakPolarHBondContact O-CG2 3.2Å; D137-V206 PolarHBondContact O-N 3.31Å; L139-V206 HydrophobicContact CD1-CG1 4.22Å; L139-V206 HydrophobicContact CD1-CG2 4.28Å; L139-V206 HydrophobicContact CG-CG2 4.21Å; V206-V209 PolarHBondContact O-N 2.7Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.25Å |
| 207 | Q | 98.7 | Very high | 98.3 | Very high | 102 Ų | 102 | 23.4 Ų | 23.4 | 48% | 0.477 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 179.2 | -177.4 | 177 | 60.7 | 0 | 0 | 112.7 | S205 Q210 R211 | S205-Q207 PolarHBondContact O-N 3.05Å; S205-Q207 VanDerWaalsContact O-N 3.15Å; Q207-Q210 PolarHBondContact O-N 3.16Å; Q207-R211 VanDerWaalsContact CD-NH2 3.34Å; Q207-R211 WeakPolarHBondContact O-CG 3.33Å; Q207-R211 PolarHBondContact O-N 3.37Å |
| 208 | E | 98.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.7 | -37.3 | 179.9 | -72.8 | -60 | 108.6 | 0 | 0 | 111.9 | P159 L160 S205 Q210 R211 L212 | P159-E208 HydrophobicContact CB-CG 4.16Å; P159-E208 WeakPolarHBondContact O-CB 3.47Å; P159-E208 VanDerWaalsContact O-CG 3.26Å; P159-E208 WeakPolarHBondContact O-CG 3.48Å; L160-E208 HydrophobicContact CB-CB 4.25Å; L160-E208 HydrophobicContact CB-CG 4.41Å; L160-E208 HydrophobicContact CD1-CB 4.49Å; S205-E208 PolarHBondContact O-N 3.18Å; S205-E208 VanDerWaalsContact O-N 3.12Å; S205-E208 WeakPolarHBondContact OG-CG 3.25Å; S205-E208 PolarHBondContact OG-N 3.19Å; E208-Q210 VanDerWaalsContact C-N 3.35Å; E208-R211 PolarHBondContact O-N 3.12Å; E208-R211 WeakPolarHBondContact OE1-CD 3.5Å; E208-R211 IonicContact OE1-CZ 2.78Å; E208-R211 IonicContact OE1-NE 3.51Å; E208-R211 IonicContact OE1-NH1 3.79Å; E208-R211 PolarHBondContact OE1-NH1 3.23Å; E208-L212 WeakPolarHBondContact O-CB 3.18Å; E208-L212 PolarHBondContact O-N 2.99Å |
| 209 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | I124 L139 G204 S205 V206 L212 T213 | I124-V209 HydrophobicContact CG2-CG1 3.81Å; L139-V209 HydrophobicContact CB-CB 4.23Å; L139-V209 HydrophobicContact CB-CG1 4.12Å; L139-V209 HydrophobicContact CB-CG2 3.97Å; L139-V209 HydrophobicContact CD1-CB 4.17Å; L139-V209 HydrophobicContact CD1-CG1 3.85Å; G204-V209 VanDerWaalsContact N-CG2 3.34Å; S205-V209 WeakPolarHBondContact O-CG2 3.2Å; S205-V209 PolarHBondContact O-N 3.09Å; V206-V209 PolarHBondContact O-N 2.7Å; V209-L212 PolarHBondContact O-N 3.38Å; V209-T213 HydrophobicContact CG1-CG2 4.05Å; V209-T213 VanDerWaalsContact O-CB 3.32Å; V209-T213 WeakPolarHBondContact O-CB 3.42Å; V209-T213 VanDerWaalsContact O-CG2 3.23Å; V209-T213 WeakPolarHBondContact O-CG2 3.38Å; V209-T213 PolarHBondContact O-N 2.98Å; V209-T213 PolarHBondContact O-OG1 3.21Å |
| 210 | Q | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 172.9 | -173.8 | -172.2 | 28.3 | 0 | 0 | 111.7 | C128 E129 V206 Q207 E208 T213 R214 | C128-Q210 HydrophobicContact CB-CB 3.8Å; C128-Q210 HydrophobicContact CB-CG 3.8Å; E129-Q210 PolarHBondContact OE1-NE2 3.46Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.25Å; Q207-Q210 PolarHBondContact O-N 3.16Å; E208-Q210 VanDerWaalsContact C-N 3.35Å; Q210-T213 PolarHBondContact O-OG1 3.22Å; Q210-R214 WeakPolarHBondContact O-CB 3.26Å; Q210-R214 PolarHBondContact O-N 3.02Å |
| 211 | R | 98.9 | Very high | 98.8 | Very high | 122 Ų | 122 | 32.1 Ų | 32.1 | 46% | 0.46 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 178 | -73.3 | 168.8 | 179.2 | 172.1 | 1.4 | 111.5 | Q207 E208 A215 | Q207-R211 VanDerWaalsContact CD-NH2 3.34Å; Q207-R211 WeakPolarHBondContact O-CG 3.33Å; Q207-R211 PolarHBondContact O-N 3.37Å; E208-R211 PolarHBondContact O-N 3.12Å; E208-R211 WeakPolarHBondContact OE1-CD 3.5Å; E208-R211 IonicContact OE1-CZ 2.78Å; E208-R211 IonicContact OE1-NE 3.51Å; E208-R211 IonicContact OE1-NH1 3.79Å; E208-R211 PolarHBondContact OE1-NH1 3.23Å; R211-A215 VanDerWaalsContact O-CB 3.24Å; R211-A215 WeakPolarHBondContact O-CB 3.42Å; R211-A215 PolarHBondContact O-N 3.16Å |
| 212 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -54 | 179 | 179.5 | 155.9 | 0 | 0 | 0 | 111.7 | M121 L160 F202 E208 V209 A215 C216 L238 Y241 L242 | M121-L212 HydrophobicContact CE-CD2 4.44Å; M121-L212 HydrophobicContact SD-CD2 4.13Å; L160-L212 HydrophobicContact CD1-CD1 3.7Å; F202-L212 HydrophobicContact CD2-CD1 4.4Å; F202-L212 HydrophobicContact CD2-CD2 4.11Å; F202-L212 HydrophobicContact CE2-CD2 3.87Å; F202-L212 HydrophobicContact CZ-CD2 4.48Å; E208-L212 WeakPolarHBondContact O-CB 3.18Å; E208-L212 PolarHBondContact O-N 2.99Å; V209-L212 PolarHBondContact O-N 3.38Å; L212-A215 PolarHBondContact O-N 2.92Å; L212-C216 WeakPolarHBondContact O-CB 3.4Å; L212-C216 PolarHBondContact O-N 2.96Å; L212-C216 PolarHBondContact O-SG 3.36Å; L212-L238 HydrophobicContact CD1-CD1 3.74Å; L212-L238 HydrophobicContact CD2-CD1 4.08Å; L212-L238 HydrophobicContact CG-CD1 4.3Å; L212-Y241 VanDerWaalsContact CA-CZ 3.46Å; L212-Y241 HydrophobicContact CB-CD1 3.95Å; L212-Y241 HydrophobicContact CB-CE1 3.58Å; L212-Y241 HydrophobicContact CB-CE2 4.45Å; L212-Y241 HydrophobicContact CD1-CD1 3.72Å; L212-Y241 HydrophobicContact CD1-CE1 3.91Å; L212-Y241 HydrophobicContact CG-CD1 3.62Å; L212-Y241 HydrophobicContact CG-CE1 3.8Å; L212-Y241 HydrophobicContact CG-CG 4.13Å; L212-Y241 PolarHBondContact N-OH 2.99Å; L212-L242 HydrophobicContact CD1-CD2 4.19Å |
| 213 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | -173.1 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | M121 I124 S125 F202 V209 Q210 C216 H217 | M121-T213 WeakPolarHBondContact O-CB 3.42Å; M121-T213 HydrophobicContact SD-CG2 3.83Å; I124-T213 HydrophobicContact CB-CG2 4.03Å; I124-T213 HydrophobicContact CD1-CG2 4.45Å; I124-T213 HydrophobicContact CG2-CG2 3.78Å; S125-T213 WeakPolarHBondContact CB-OG1 3.34Å; F202-T213 HydrophobicContact CE2-CG2 4.01Å; F202-T213 HydrophobicContact CZ-CG2 4.32Å; V209-T213 HydrophobicContact CG1-CG2 4.05Å; V209-T213 VanDerWaalsContact O-CB 3.32Å; V209-T213 WeakPolarHBondContact O-CB 3.42Å; V209-T213 VanDerWaalsContact O-CG2 3.23Å; V209-T213 WeakPolarHBondContact O-CG2 3.38Å; V209-T213 PolarHBondContact O-N 2.98Å; V209-T213 PolarHBondContact O-OG1 3.21Å; Q210-T213 PolarHBondContact O-OG1 3.22Å; T213-C216 PolarHBondContact O-N 3.26Å; T213-H217 WeakPolarHBondContact O-CB 3.37Å; T213-H217 PolarHBondContact O-N 3.3Å |
| 214 | R | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 172.6 | -178.1 | 173.2 | -61.7 | 166.8 | 3.1 | 112.5 | E129 Q210 H217 Q218 | E129-R214 IonicContact OE1-CZ 3.53Å; E129-R214 IonicContact OE1-NH1 3.7Å; E129-R214 IonicContact OE1-NH2 2.61Å; E129-R214 PolarHBondContact OE1-NH2 3.31Å; Q210-R214 WeakPolarHBondContact O-CB 3.26Å; Q210-R214 PolarHBondContact O-N 3.02Å; R214-H217 PolarHBondContact O-N 2.93Å; R214-Q218 HydrophobicContact CG-CG 4.46Å; R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 WeakPolarHBondContact O-CG 3.42Å; R214-Q218 PolarHBondContact O-N 2.82Å |
| 215 | A | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | R211 L212 Q218 A219 Y241 | R211-A215 VanDerWaalsContact O-CB 3.24Å; R211-A215 WeakPolarHBondContact O-CB 3.42Å; R211-A215 PolarHBondContact O-N 3.16Å; L212-A215 PolarHBondContact O-N 2.92Å; A215-Q218 PolarHBondContact O-N 3.24Å; A215-A219 WeakPolarHBondContact O-CB 3.33Å; A215-A219 PolarHBondContact O-N 3.3Å; A215-Y241 HydrophobicContact CB-CD2 3.68Å; A215-Y241 HydrophobicContact CB-CE2 3.64Å |
| 216 | C | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | M121 L212 T213 A219 M220 H237 | M121-C216 HydrophobicContact CB-CB 4.34Å; M121-C216 HydrophobicContact CE-CB 4.46Å; M121-C216 HydrophobicContact CG-CB 3.93Å; M121-C216 HydrophobicContact SD-CB 4.03Å; L212-C216 WeakPolarHBondContact O-CB 3.4Å; L212-C216 PolarHBondContact O-N 2.96Å; L212-C216 PolarHBondContact O-SG 3.36Å; T213-C216 PolarHBondContact O-N 3.26Å; C216-A219 PolarHBondContact O-N 3.05Å; C216-M220 HydrophobicContact CB-CE 4.42Å; C216-M220 WeakPolarHBondContact O-CE 3.44Å; C216-M220 WeakPolarHBondContact O-CG 3.44Å; C216-M220 PolarHBondContact O-N 3.03Å; C216-H237 HydrophobicContact CB-CB 4.11Å |
| 217 | H | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 178 | 174.9 | 55.4 | 0 | 0 | 0 | 112.3 | M121 E122 T213 R214 A219 M220 M221 | M121-H217 HydrophobicContact CB-CB 4.19Å; E122-H217 VanDerWaalsContact CD-CE1 3.5Å; E122-H217 IonicContact OE2-CE1 3.28Å; E122-H217 PolarHBondContact OE2-CE1 3.47Å; E122-H217 IonicContact OE2-ND1 3.6Å; T213-H217 WeakPolarHBondContact O-CB 3.37Å; T213-H217 PolarHBondContact O-N 3.3Å; R214-H217 PolarHBondContact O-N 2.93Å; H217-A219 VanDerWaalsContact C-N 3.32Å; H217-A219 PolarHBondContact O-N 3.24Å; H217-M220 HydrophobicContact CB-CE 4.49Å; H217-M220 WeakPolarHBondContact O-CB 3.26Å; H217-M220 PolarHBondContact O-N 3.09Å; H217-M220 VanDerWaalsContact O-N 3.15Å; H217-M221 WeakPolarHBondContact O-CG 3.27Å; H217-M221 PolarHBondContact O-N 3.22Å |
| 218 | Q | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 177.1 | -72.3 | 175 | -16.4 | 0 | 0 | 111.9 | R214 A215 M220 M221 V222 | R214-Q218 HydrophobicContact CG-CG 4.46Å; R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 WeakPolarHBondContact O-CG 3.42Å; R214-Q218 PolarHBondContact O-N 2.82Å; A215-Q218 PolarHBondContact O-N 3.24Å; Q218-M220 VanDerWaalsContact C-N 3.35Å; Q218-M220 PolarHBondContact O-N 2.95Å; Q218-M221 PolarHBondContact O-N 3.44Å; Q218-V222 WeakPolarHBondContact O-CG2 3.15Å; Q218-V222 PolarHBondContact O-N 3.05Å |
| 219 | A | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q185 A215 C216 H217 M221 V222 D223 H237 | Q185-A219 HydrophobicContact CB-CB 3.81Å; Q185-A219 HydrophobicContact CG-CB 4.33Å; A215-A219 WeakPolarHBondContact O-CB 3.33Å; A215-A219 PolarHBondContact O-N 3.3Å; C216-A219 PolarHBondContact O-N 3.05Å; H217-A219 VanDerWaalsContact C-N 3.32Å; H217-A219 PolarHBondContact O-N 3.24Å; A219-M221 VanDerWaalsContact C-N 3.33Å; A219-M221 PolarHBondContact O-N 3.13Å; A219-V222 PolarHBondContact O-N 3.29Å; A219-D223 PolarHBondContact O-N 3.26Å; A219-H237 WeakPolarHBondContact CB-ND1 3.5Å |
| 220 | M | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 174.1 | -74.6 | -177.1 | -70.1 | 0 | 0 | 112.3 | M118 M121 C216 H217 Q218 D223 Q224 D234 H237 | M118-M220 HydrophobicContact CB-CE 4.38Å; M118-M220 HydrophobicContact CB-SD 3.53Å; M118-M220 VanDerWaalsContact CB-SD 3.53Å; M118-M220 HydrophobicContact CG-SD 3.61Å; M118-M220 VanDerWaalsContact O-CE 3.26Å; M118-M220 WeakPolarHBondContact O-CE 3.36Å; M118-M220 HydrophobicContact SD-SD 3.98Å; M121-M220 HydrophobicContact CB-CE 3.64Å; M121-M220 HydrophobicContact CG-CE 3.62Å; C216-M220 HydrophobicContact CB-CE 4.42Å; C216-M220 WeakPolarHBondContact O-CE 3.44Å; C216-M220 WeakPolarHBondContact O-CG 3.44Å; C216-M220 PolarHBondContact O-N 3.03Å; H217-M220 HydrophobicContact CB-CE 4.49Å; H217-M220 WeakPolarHBondContact O-CB 3.26Å; H217-M220 PolarHBondContact O-N 3.09Å; H217-M220 VanDerWaalsContact O-N 3.15Å; Q218-M220 VanDerWaalsContact C-N 3.35Å; Q218-M220 PolarHBondContact O-N 2.95Å; M220-D223 PolarHBondContact O-N 3.23Å; M220-Q224 WeakPolarHBondContact O-CB 3.08Å; M220-Q224 PolarHBondContact O-N 2.98Å; M220-D234 HydrophobicContact SD-CB 4.34Å; M220-H237 WeakPolarHBondContact CG-CD2 3.36Å; M220-H237 VanDerWaalsContact CG-NE2 3.32Å; M220-H237 WeakPolarHBondContact CG-NE2 3.46Å |
| 221 | M | 98.6 | Very high | 98.7 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 29% | 0.286 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 176.5 | -63.6 | -55.2 | 86.6 | 0 | 0 | 112.2 | H217 Q218 A219 Q224 A225 | H217-M221 WeakPolarHBondContact O-CG 3.27Å; H217-M221 PolarHBondContact O-N 3.22Å; Q218-M221 PolarHBondContact O-N 3.44Å; A219-M221 VanDerWaalsContact C-N 3.33Å; A219-M221 PolarHBondContact O-N 3.13Å; M221-Q224 PolarHBondContact O-N 3.26Å; M221-Q224 PolarHBondContact SD-OE1 3Å; M221-A225 WeakPolarHBondContact O-CB 3.13Å; M221-A225 PolarHBondContact O-N 3.2Å |
| 222 | V | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | Q185 Q218 A219 Q224 A225 N226 | Q185-V222 HydrophobicContact CG-CB 3.79Å; Q185-V222 HydrophobicContact CG-CG1 3.61Å; Q218-V222 WeakPolarHBondContact O-CG2 3.15Å; Q218-V222 PolarHBondContact O-N 3.05Å; A219-V222 PolarHBondContact O-N 3.29Å; V222-Q224 PolarHBondContact O-N 3.02Å; V222-A225 PolarHBondContact O-N 2.62Å; V222-N226 WeakPolarHBondContact O-CB 3.22Å; V222-N226 PolarHBondContact O-N 2.73Å; V222-N226 PolarHBondContact O-ND2 2.87Å |
| 223 | D | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.8 | -85.8 | 12 | 0 | 0 | 0 | 111.6 | S184 Q185 A219 M220 A225 N226 G227 I228 H237 | S184-D223 WeakPolarHBondContact CA-OD1 3.49Å; S184-D223 WeakPolarHBondContact CB-OD2 3.47Å; S184-D223 PolarHBondContact OG-OD2 3.25Å; Q185-D223 WeakPolarHBondContact CG-OD1 3.37Å; Q185-D223 PolarHBondContact N-OD1 3.07Å; A219-D223 PolarHBondContact O-N 3.26Å; M220-D223 PolarHBondContact O-N 3.23Å; D223-A225 PolarHBondContact O-N 2.7Å; D223-N226 CarbonylContact O-C 3.59Å; D223-N226 PolarHBondContact O-N 3.46Å; D223-N226 VanDerWaalsContact O-N 3.1Å; D223-G227 PolarHBondContact O-N 3.43Å; D223-G227 VanDerWaalsContact O-N 3.09Å; D223-I228 CarbonylContact C-O 3.55Å; D223-I228 HydrophobicContact CB-CG2 3.79Å; D223-I228 WeakPolarHBondContact CB-O 3.11Å; D223-I228 WeakPolarHBondContact O-CG2 3.49Å; D223-I228 PolarHBondContact O-N 3.16Å; D223-H237 IonicContact OD2-CE1 3.84Å; D223-H237 PolarHBondContact OD2-CE1 3.02Å; D223-H237 VanDerWaalsContact OD2-CE1 3.28Å; D223-H237 IonicContact OD2-NE2 3.58Å |
| 224 | Q | 98.1 | Very high | 98.6 | Very high | 120 Ų | 120 | 52.8 Ų | 52.8 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.8 | -45.9 | 175.1 | -175.3 | 178.9 | 19.7 | 0 | 0 | 111.9 | M220 M221 V222 N226 G227 | M220-Q224 WeakPolarHBondContact O-CB 3.08Å; M220-Q224 PolarHBondContact O-N 2.98Å; M221-Q224 PolarHBondContact O-N 3.26Å; M221-Q224 PolarHBondContact SD-OE1 3Å; V222-Q224 PolarHBondContact O-N 3.02Å; Q224-N226 PolarHBondContact O-N 3.44Å; Q224-G227 PolarHBondContact O-N 2.89Å; Q224-G227 VanDerWaalsContact O-N 3.08Å |
| 225 | A | 98.4 | Very high | 98.6 | Very high | 86 Ų | 86 | 50 Ų | 50 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.4 | -30.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M221 V222 D223 G227 | M221-A225 WeakPolarHBondContact O-CB 3.13Å; M221-A225 PolarHBondContact O-N 3.2Å; V222-A225 PolarHBondContact O-N 2.62Å; D223-A225 PolarHBondContact O-N 2.7Å; A225-G227 VanDerWaalsContact C-N 3.29Å |
| 226 | N | 98.3 | Very high | 98.6 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 3.6 | 175.5 | -67.7 | -27.4 | 0 | 0 | 0 | 113.5 | V222 D223 Q224 I228 | V222-N226 WeakPolarHBondContact O-CB 3.22Å; V222-N226 PolarHBondContact O-N 2.73Å; V222-N226 PolarHBondContact O-ND2 2.87Å; D223-N226 CarbonylContact O-C 3.59Å; D223-N226 PolarHBondContact O-N 3.46Å; D223-N226 VanDerWaalsContact O-N 3.1Å; Q224-N226 PolarHBondContact O-N 3.44Å; N226-I228 VanDerWaalsContact C-N 3.32Å; N226-I228 HydrophobicContact CB-CG2 4.27Å; N226-I228 PolarHBondContact O-N 2.98Å |
| 227 | G | 98.3 | Very high | 98.6 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 76% | 0.763 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 27.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | D223 Q224 A225 | D223-G227 PolarHBondContact O-N 3.43Å; D223-G227 VanDerWaalsContact O-N 3.09Å; Q224-G227 PolarHBondContact O-N 2.89Å; Q224-G227 VanDerWaalsContact O-N 3.08Å; A225-G227 VanDerWaalsContact C-N 3.29Å |
| 228 | I | 98.6 | Very high | 98.6 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | trans | -122.4 | 146 | 177.1 | -169.4 | 163.4 | 0 | 0 | 0 | 110.4 | R181 Q183 D223 N226 | R181-I228 HydrophobicContact CB-CD1 4.1Å; Q183-I228 HydrophobicContact CB-CD1 4.11Å; D223-I228 CarbonylContact C-O 3.55Å; D223-I228 HydrophobicContact CB-CG2 3.79Å; D223-I228 WeakPolarHBondContact CB-O 3.11Å; D223-I228 WeakPolarHBondContact O-CG2 3.49Å; D223-I228 PolarHBondContact O-N 3.16Å; N226-I228 VanDerWaalsContact C-N 3.32Å; N226-I228 HydrophobicContact CB-CG2 4.27Å; N226-I228 PolarHBondContact O-N 2.98Å | ||
| 229 | E | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | trans | -126.7 | 128 | 171.3 | -178 | 175.5 | 98.2 | 0 | 0 | 107.3 | R112 M118 R181 H233 | R112-E229 IonicContact CZ-OE1 3.31Å; R112-E229 IonicContact CZ-OE2 2.67Å; R112-E229 VanDerWaalsContact CZ-OE2 3.31Å; R112-E229 IonicContact NH1-OE1 3.92Å; R112-E229 IonicContact NH1-OE2 3.44Å; R112-E229 PolarHBondContact NH1-OE2 3.42Å; R112-E229 VanDerWaalsContact NH2-CD 3.27Å; R112-E229 IonicContact NH2-OE1 3.59Å; R112-E229 PolarHBondContact NH2-OE1 3.32Å; R112-E229 IonicContact NH2-OE2 3.46Å; R112-E229 PolarHBondContact NH2-OE2 3.19Å; M118-E229 HydrophobicContact CE-CG 4.26Å; M118-E229 WeakPolarHBondContact CE-OE2 3.39Å; M118-E229 HydrophobicContact SD-CG 4.16Å; R181-E229 PolarHBondContact NH2-O 3.49Å; E229-H233 IonicContact OE1-CD2 2.61Å; E229-H233 PolarHBondContact OE1-CD2 3.5Å; E229-H233 IonicContact OE1-NE2 3.87Å | ||
| 230 | A | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | trans | -64.2 | 146.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E179 A186 W232 H233 | E179-A230 VanDerWaalsContact OE2-CA 3.32Å; E179-A230 WeakPolarHBondContact OE2-CA 3.37Å; A186-A230 HydrophobicContact CB-CB 3.91Å; A230-W232 VanDerWaalsContact C-N 3.28Å; A230-W232 PolarHBondContact O-N 2.8Å; A230-W232 VanDerWaalsContact O-N 3.13Å; A230-H233 PolarHBondContact O-N 3.03Å | ||
| 231 | V | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.3 | -169.2 | 64 | 0 | 0 | 0 | 0 | 114.8 | E179 | E179-V231 HydrophobicContact CB-CG1 4.33Å; E179-V231 PolarHBondContact OE2-N 2.99Å |
| 232 | W | 98.5 | Very high | 98.7 | Very high | 121 Ų | 121 | 40.6 Ų | 40.6 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 36.3 | 174 | -65.3 | 110.5 | 0 | 0 | 0 | 111.9 | T177 Y196 A230 D234 E235 S236 | T177-W232 VanDerWaalsContact CB-NE1 3.26Å; T177-W232 PolarHBondContact OG1-NE1 3.33Å; T177-W232 VanDerWaalsContact OG1-NE1 3.14Å; Y196-W232 VanDerWaalsContact OH-CD1 3.25Å; A230-W232 VanDerWaalsContact C-N 3.28Å; A230-W232 PolarHBondContact O-N 2.8Å; A230-W232 VanDerWaalsContact O-N 3.13Å; W232-D234 PolarHBondContact O-N 3.1Å; W232-E235 HydrophobicContact CB-CB 4.25Å; W232-E235 WeakPolarHBondContact O-CB 3.27Å; W232-E235 PolarHBondContact O-N 3.35Å; W232-S236 WeakPolarHBondContact CA-OG 3.09Å; W232-S236 PolarHBondContact N-OG 3.07Å; W232-S236 PolarHBondContact O-N 3.18Å |
| 233 | H | 98.6 | Very high | 98.7 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | 54.2 | -130.6 | 169.3 | -43.1 | 94.9 | 0 | 0 | 0 | 111.8 | W113 Q114 M118 E229 A230 E235 S236 H237 | W113-H233 AromaticContact CH2-CE1 3.28Å; W113-H233 WeakPolarHBondContact CH2-CE1 3.5Å; W113-H233 AromaticContact CH2-ND1 3.68Å; W113-H233 AromaticContact CZ2-CE1 3.88Å; W113-H233 AromaticContact CZ3-CE1 3.95Å; W113-H233 AromaticContact CZ3-ND1 3.95Å; Q114-H233 VanDerWaalsContact CG-CD2 3.41Å; Q114-H233 WeakPolarHBondContact CG-CD2 3.33Å; Q114-H233 WeakPolarHBondContact CG-NE2 3.42Å; M118-H233 HydrophobicContact CG-CB 3.71Å; M118-H233 HydrophobicContact SD-CB 4.09Å; E229-H233 IonicContact OE1-CD2 2.61Å; E229-H233 PolarHBondContact OE1-CD2 3.5Å; E229-H233 IonicContact OE1-NE2 3.87Å; A230-H233 PolarHBondContact O-N 3.03Å; H233-E235 VanDerWaalsContact C-N 3.28Å; H233-E235 PolarHBondContact O-N 3.3Å; H233-S236 WeakPolarHBondContact O-CB 3.3Å; H233-S236 PolarHBondContact O-N 2.89Å; H233-S236 VanDerWaalsContact O-N 3.17Å; H233-H237 PolarHBondContact O-CD2 3.4Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å |
| 234 | D | 98.3 | Very high | 98.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -31.3 | 178.2 | 50.7 | -60.4 | 0 | 0 | 0 | 114.1 | S117 R120 M121 M220 W232 S236 H237 L238 | S117-D234 WeakPolarHBondContact CB-OD1 3.38Å; S117-D234 PolarHBondContact OG-OD1 3.04Å; S117-D234 PolarHBondContact OG-OD2 3.48Å; R120-D234 IonicContact CZ-OD2 3.46Å; R120-D234 IonicContact NE-OD2 2.88Å; R120-D234 IonicContact NH2-OD2 2.73Å; R120-D234 PolarHBondContact NH2-OD2 3.22Å; M121-D234 HydrophobicContact CE-CB 3.95Å; M121-D234 HydrophobicContact CG-CB 4.31Å; M220-D234 HydrophobicContact SD-CB 4.34Å; W232-D234 PolarHBondContact O-N 3.1Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 2.9Å; D234-H237 PolarHBondContact O-N 3.18Å; D234-L238 WeakPolarHBondContact O-CB 3.45Å; D234-L238 PolarHBondContact O-N 2.98Å |
| 235 | E | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -34.5 | 177 | -179.6 | 173.2 | 97.8 | 0 | 0 | 111.8 | H165 Y196 L198 G199 W232 H233 L238 N239 | H165-E235 IonicContact CD2-OE1 3.47Å; H165-E235 IonicContact CD2-OE2 3.52Å; Y196-E235 WeakPolarHBondContact CE1-OE1 3.39Å; Y196-E235 VanDerWaalsContact CZ-OE1 3.23Å; Y196-E235 PolarHBondContact OH-OE1 3.08Å; L198-E235 WeakPolarHBondContact CA-OE2 3.2Å; L198-E235 WeakPolarHBondContact CD1-OE2 3.39Å; G199-E235 PolarHBondContact N-OE2 2.67Å; W232-E235 HydrophobicContact CB-CB 4.25Å; W232-E235 WeakPolarHBondContact O-CB 3.27Å; W232-E235 PolarHBondContact O-N 3.35Å; H233-E235 VanDerWaalsContact C-N 3.28Å; H233-E235 PolarHBondContact O-N 3.3Å; E235-L238 PolarHBondContact O-N 3.41Å; E235-N239 PolarHBondContact O-N 3.36Å; E235-N239 PolarHBondContact O-ND2 3.39Å |
| 236 | S | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | W232 H233 D234 N239 K240 | W232-S236 WeakPolarHBondContact CA-OG 3.09Å; W232-S236 PolarHBondContact N-OG 3.07Å; W232-S236 PolarHBondContact O-N 3.18Å; H233-S236 WeakPolarHBondContact O-CB 3.3Å; H233-S236 PolarHBondContact O-N 2.89Å; H233-S236 VanDerWaalsContact O-N 3.17Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 2.9Å; S236-N239 PolarHBondContact O-N 3.2Å; S236-K240 PolarHBondContact O-N 3.21Å; S236-K240 VanDerWaalsContact O-N 3.13Å |
| 237 | H | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.3 | -37.5 | 176.9 | -66 | -81.8 | 0 | 0 | 0 | 112.3 | C216 A219 M220 D223 H233 D234 N239 K240 Y241 | C216-H237 HydrophobicContact CB-CB 4.11Å; A219-H237 WeakPolarHBondContact CB-ND1 3.5Å; M220-H237 WeakPolarHBondContact CG-CD2 3.36Å; M220-H237 VanDerWaalsContact CG-NE2 3.32Å; M220-H237 WeakPolarHBondContact CG-NE2 3.46Å; D223-H237 IonicContact OD2-CE1 3.84Å; D223-H237 PolarHBondContact OD2-CE1 3.02Å; D223-H237 VanDerWaalsContact OD2-CE1 3.28Å; D223-H237 IonicContact OD2-NE2 3.58Å; H233-H237 PolarHBondContact O-CD2 3.4Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å; D234-H237 PolarHBondContact O-N 3.18Å; H237-N239 PolarHBondContact O-N 2.88Å; H237-K240 PolarHBondContact O-N 2.78Å; H237-Y241 WeakPolarHBondContact O-CB 3.3Å; H237-Y241 PolarHBondContact O-N 2.52Å |
| 238 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 173.3 | 173.7 | 65.3 | 0 | 0 | 0 | 111.2 | L198 F202 L212 D234 E235 K240 Y241 L242 | L198-L238 VanDerWaalsContact O-CD2 3.26Å; L198-L238 WeakPolarHBondContact O-CD2 3.38Å; F202-L238 HydrophobicContact CB-CD1 4.41Å; F202-L238 HydrophobicContact CD1-CD2 4.25Å; F202-L238 HydrophobicContact CG-CD1 4.39Å; L212-L238 HydrophobicContact CD1-CD1 3.74Å; L212-L238 HydrophobicContact CD2-CD1 4.08Å; L212-L238 HydrophobicContact CG-CD1 4.3Å; D234-L238 WeakPolarHBondContact O-CB 3.45Å; D234-L238 PolarHBondContact O-N 2.98Å; E235-L238 PolarHBondContact O-N 3.41Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.82Å; L238-Y241 PolarHBondContact O-N 3.4Å; L238-Y241 VanDerWaalsContact O-N 3.15Å; L238-L242 HydrophobicContact CD1-CD1 3.79Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 4.04Å; L238-L242 HydrophobicContact CG-CG 4.5Å; L238-L242 WeakPolarHBondContact O-CG 3.11Å; L238-L242 PolarHBondContact O-N 3.21Å |
| 239 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 178.9 | -84.8 | -77.5 | 0 | 0 | 0 | 112.1 | Y178 I188 Y197 E235 S236 H237 Y241 L242 L243 | Y178-N239 HydrophobicContact CD1-CB 3.78Å; Y178-N239 HydrophobicContact CE1-CB 3.63Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.42Å; I188-N239 HydrophobicContact CD1-CB 4.24Å; Y197-N239 PolarHBondContact N-OD1 3.06Å; Y197-N239 PolarHBondContact O-ND2 3.21Å; E235-N239 PolarHBondContact O-N 3.36Å; E235-N239 PolarHBondContact O-ND2 3.39Å; S236-N239 PolarHBondContact O-N 3.2Å; H237-N239 PolarHBondContact O-N 2.88Å; N239-Y241 VanDerWaalsContact C-N 3.34Å; N239-Y241 PolarHBondContact O-N 3.18Å; N239-L242 PolarHBondContact O-N 3.09Å; N239-L243 WeakPolarHBondContact O-CB 3.46Å; N239-L243 PolarHBondContact O-N 3.18Å |
| 240 | K | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 173.6 | 175.8 | 58.3 | 165.7 | -77.5 | 0 | 111.8 | Q185 Y187 I188 S236 H237 L238 R244 | Q185-K240 WeakPolarHBondContact O-CG 3.28Å; Q185-K240 PolarHBondContact O-NZ 2.76Å; Y187-K240 PolarHBondContact O-NZ 3.43Å; I188-K240 HydrophobicContact CD1-CB 4.46Å; I188-K240 HydrophobicContact CG1-CD 4.21Å; S236-K240 PolarHBondContact O-N 3.21Å; S236-K240 VanDerWaalsContact O-N 3.13Å; H237-K240 PolarHBondContact O-N 2.78Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.82Å; K240-R244 HydrophobicContact CD-CG 4.44Å; K240-R244 WeakPolarHBondContact O-CG 3.48Å; K240-R244 PolarHBondContact O-N 2.98Å |
| 241 | Y | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 178.6 | -175.5 | -89.6 | 0 | 0 | 0 | 111.2 | L160 L212 A215 H237 L238 N239 L243 R244 H245 | L160-Y241 HydrophobicContact CD2-CE1 4.05Å; L212-Y241 VanDerWaalsContact CA-CZ 3.46Å; L212-Y241 HydrophobicContact CB-CD1 3.95Å; L212-Y241 HydrophobicContact CB-CE1 3.58Å; L212-Y241 HydrophobicContact CB-CE2 4.45Å; L212-Y241 HydrophobicContact CD1-CD1 3.72Å; L212-Y241 HydrophobicContact CD1-CE1 3.91Å; L212-Y241 HydrophobicContact CG-CD1 3.62Å; L212-Y241 HydrophobicContact CG-CE1 3.8Å; L212-Y241 HydrophobicContact CG-CG 4.13Å; L212-Y241 PolarHBondContact N-OH 2.99Å; A215-Y241 HydrophobicContact CB-CD2 3.68Å; A215-Y241 HydrophobicContact CB-CE2 3.64Å; H237-Y241 WeakPolarHBondContact O-CB 3.3Å; H237-Y241 PolarHBondContact O-N 2.52Å; L238-Y241 PolarHBondContact O-N 3.4Å; L238-Y241 VanDerWaalsContact O-N 3.15Å; N239-Y241 VanDerWaalsContact C-N 3.34Å; N239-Y241 PolarHBondContact O-N 3.18Å; Y241-L243 VanDerWaalsContact C-N 3.33Å; Y241-L243 PolarHBondContact O-N 3.3Å; Y241-R244 CarbonylContact O-C 3.57Å; Y241-R244 PolarHBondContact O-N 3.38Å; Y241-H245 HydrophobicContact CD1-CB 4.15Å; Y241-H245 AromaticContact CD2-CE1 3.98Å; Y241-H245 AromaticContact CD2-ND1 3.57Å; Y241-H245 HydrophobicContact CE1-CB 3.71Å; Y241-H245 AromaticContact CE1-CG 3.98Å; Y241-H245 AromaticContact CE2-CE1 3.74Å; Y241-H245 AromaticContact CE2-CG 3.99Å; Y241-H245 AromaticContact CE2-ND1 3.47Å; Y241-H245 WeakPolarHBondContact CE2-ND1 3.11Å; Y241-H245 AromaticContact CG-ND1 3.89Å; Y241-H245 AromaticContact CZ-CG 3.75Å; Y241-H245 AromaticContact CZ-ND1 3.7Å; Y241-H245 WeakPolarHBondContact O-CB 3.41Å; Y241-H245 PolarHBondContact O-N 2.73Å; Y241-H245 PolarHBondContact O-ND1 2.74Å; Y241-H245 VanDerWaalsContact O-ND1 3.09Å |
| 242 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.5 | -27.3 | -177.4 | -67 | 179.4 | 0 | 0 | 0 | 113.6 | L160 Y197 L212 L238 N239 R244 H245 P247 | L160-L242 HydrophobicContact CD1-CD2 4.3Å; L160-L242 HydrophobicContact CD2-CD2 3.85Å; L160-L242 HydrophobicContact CG-CD2 4.1Å; Y197-L242 HydrophobicContact CD1-CD1 4.02Å; Y197-L242 HydrophobicContact CD2-CB 3.75Å; Y197-L242 HydrophobicContact CD2-CD1 3.6Å; Y197-L242 HydrophobicContact CD2-CG 4.34Å; Y197-L242 HydrophobicContact CE1-CD1 4.46Å; Y197-L242 HydrophobicContact CE2-CB 3.66Å; Y197-L242 HydrophobicContact CE2-CD1 4.08Å; Y197-L242 HydrophobicContact CG-CD1 3.54Å; L212-L242 HydrophobicContact CD1-CD2 4.19Å; L238-L242 HydrophobicContact CD1-CD1 3.79Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 4.04Å; L238-L242 HydrophobicContact CG-CG 4.5Å; L238-L242 WeakPolarHBondContact O-CG 3.11Å; L238-L242 PolarHBondContact O-N 3.21Å; N239-L242 PolarHBondContact O-N 3.09Å; L242-R244 VanDerWaalsContact C-N 3.28Å; L242-R244 PolarHBondContact O-N 2.9Å; L242-H245 WeakPolarHBondContact CA-O 3.42Å; L242-H245 CarbonylContact O-C 3.57Å; L242-P247 HydrophobicContact CD2-CB 4.2Å; L242-P247 HydrophobicContact CD2-CG 4.41Å |
| 243 | L | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 169.5 | 176.3 | 62 | 0 | 0 | 0 | 111.5 | I188 E192 N239 Y241 K246 | I188-L243 HydrophobicContact CB-CD2 4.44Å; I188-L243 HydrophobicContact CD1-CD2 4.06Å; I188-L243 HydrophobicContact CG1-CD2 3.87Å; I188-L243 HydrophobicContact CG2-CD2 3.75Å; E192-L243 HydrophobicContact CB-CD2 4.29Å; N239-L243 WeakPolarHBondContact O-CB 3.46Å; N239-L243 PolarHBondContact O-N 3.18Å; Y241-L243 VanDerWaalsContact C-N 3.33Å; Y241-L243 PolarHBondContact O-N 3.3Å; L243-K246 WeakPolarHBondContact O-CE 3.43Å; L243-K246 PolarHBondContact O-NZ 2.94Å |
| 244 | R | 98.8 | Very high | 98.9 | Very high | 132 Ų | 132 | 24.3 Ų | 24.3 | 50% | 0.498 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -91.1 | -24.6 | -177.5 | -59.9 | -59.6 | -178.7 | -154.3 | -8.2 | 113.3 | E192 K240 Y241 L242 | E192-R244 IonicContact OE1-NH2 3.51Å; E192-R244 IonicContact OE2-CZ 3.23Å; E192-R244 VanDerWaalsContact OE2-CZ 3.23Å; E192-R244 IonicContact OE2-NH1 3.04Å; E192-R244 PolarHBondContact OE2-NH1 2.67Å; E192-R244 IonicContact OE2-NH2 2.73Å; E192-R244 PolarHBondContact OE2-NH2 3.46Å; K240-R244 HydrophobicContact CD-CG 4.44Å; K240-R244 WeakPolarHBondContact O-CG 3.48Å; K240-R244 PolarHBondContact O-N 2.98Å; Y241-R244 CarbonylContact O-C 3.57Å; Y241-R244 PolarHBondContact O-N 3.38Å; L242-R244 VanDerWaalsContact C-N 3.28Å; L242-R244 PolarHBondContact O-N 2.9Å |
| 245 | H | 98.8 | Very high | 98.9 | Very high | 93 Ų | 93 | 24.1 Ų | 24.1 | 43% | 0.431 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -127.2 | 90.9 | 179.8 | -52.2 | 89.1 | 0 | 0 | 0 | 108.1 | Y241 L242 | Y241-H245 HydrophobicContact CD1-CB 4.15Å; Y241-H245 AromaticContact CD2-CE1 3.98Å; Y241-H245 AromaticContact CD2-ND1 3.57Å; Y241-H245 HydrophobicContact CE1-CB 3.71Å; Y241-H245 AromaticContact CE1-CG 3.98Å; Y241-H245 AromaticContact CE2-CE1 3.74Å; Y241-H245 AromaticContact CE2-CG 3.99Å; Y241-H245 AromaticContact CE2-ND1 3.47Å; Y241-H245 WeakPolarHBondContact CE2-ND1 3.11Å; Y241-H245 AromaticContact CG-ND1 3.89Å; Y241-H245 AromaticContact CZ-CG 3.75Å; Y241-H245 AromaticContact CZ-ND1 3.7Å; Y241-H245 WeakPolarHBondContact O-CB 3.41Å; Y241-H245 PolarHBondContact O-N 2.73Å; Y241-H245 PolarHBondContact O-ND1 2.74Å; Y241-H245 VanDerWaalsContact O-ND1 3.09Å; L242-H245 WeakPolarHBondContact CA-O 3.42Å; L242-H245 CarbonylContact O-C 3.57Å |
| 246 | K | 98.9 | Very high | 98.8 | Very high | 79 Ų | 79 | 23.4 Ų | 23.4 | 34% | 0.343 | 11% | 0.105 | S | C | . | . | trans | -60.8 | 127.9 | -170 | -59.2 | -53.3 | -170.1 | -169.4 | 0 | 110.8 | W22 D194 L243 | W22-K246 HydrophobicContact CD2-CB 4.03Å; W22-K246 HydrophobicContact CD2-CD 4.19Å; W22-K246 HydrophobicContact CD2-CG 4.1Å; W22-K246 HydrophobicContact CE3-CD 4.17Å; W22-K246 HydrophobicContact CE3-CG 4.49Å; W22-K246 HydrophobicContact CG-CB 3.97Å; W22-K246 HydrophobicContact CG-CG 4.18Å; W22-K246 HydrophobicContact CH2-CD 4.44Å; W22-K246 HydrophobicContact CZ2-CB 4.48Å; W22-K246 HydrophobicContact CZ2-CD 4.49Å; W22-K246 HydrophobicContact CZ3-CD 4.31Å; D194-K246 IonicContact OD1-NZ 3.78Å; D194-K246 PolarHBondContact OD1-NZ 3.38Å; D194-K246 IonicContact OD2-NZ 2.63Å; D194-K246 PolarHBondContact OD2-NZ 3.25Å; L243-K246 WeakPolarHBondContact O-CE 3.43Å; L243-K246 PolarHBondContact O-NZ 2.94Å | ||
| 247 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -67.8 | 142.6 | 176.9 | 28.9 | -34.8 | 0 | 0 | 0 | 110.6 | W22 A24 L160 Y197 L242 K249 V250 | W22-P247 HydrophobicContact CZ2-CG 4.09Å; W22-P247 PolarHBondContact NE1-O 3.17Å; A24-P247 VanDerWaalsContact CB-O 3.24Å; A24-P247 WeakPolarHBondContact CB-O 3.28Å; L160-P247 HydrophobicContact CG-CB 4.3Å; L160-P247 CarbonylContact O-C 3.55Å; L160-P247 WeakPolarHBondContact O-CA 3.36Å; Y197-P247 HydrophobicContact CE1-CG 4.24Å; L242-P247 HydrophobicContact CD2-CB 4.2Å; L242-P247 HydrophobicContact CD2-CG 4.41Å; P247-K249 VanDerWaalsContact C-N 3.34Å; P247-K249 WeakPolarHBondContact CB-O 3.27Å; P247-V250 HydrophobicContact CG-CG2 3.81Å | ||
| 248 | T | 98.9 | Very high | 98.8 | Very high | 58 Ų | 58 | 24.9 Ų | 24.9 | 36% | 0.356 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -81.8 | -12.9 | -178.6 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | A24 P25 T158 P159 L160 | A24-T248 WeakPolarHBondContact CB-O 3.37Å; P25-T248 WeakPolarHBondContact CD-O 3.48Å; T158-T248 WeakPolarHBondContact CG2-OG1 3.49Å; T158-T248 WeakPolarHBondContact OG1-CB 3.39Å; T158-T248 PolarHBondContact OG1-OG1 3.5Å; P159-T248 HydrophobicContact CB-CG2 4.34Å; P159-T248 WeakPolarHBondContact CD-OG1 3.2Å; L160-T248 PolarHBondContact N-OG1 2.88Å; L160-T248 PolarHBondContact O-N 3.48Å; L160-T248 PolarHBondContact O-OG1 3.47Å |
| 249 | K | 98.9 | Very high | 98.7 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153 | 157.8 | -69.3 | 180 | -178.7 | 167.3 | 0 | 109.8 | P25 V27 E155 L157 T158 L160 F161 P247 | P25-K249 HydrophobicContact CB-CG 4.45Å; P25-K249 HydrophobicContact CG-CG 4.39Å; P25-K249 WeakPolarHBondContact O-CA 3.42Å; V27-K249 HydrophobicContact CG2-CB 4.39Å; V27-K249 HydrophobicContact CG2-CD 4.1Å; E155-K249 WeakPolarHBondContact O-CD 3.18Å; E155-K249 PolarHBondContact O-NZ 2.73Å; L157-K249 PolarHBondContact O-NZ 3.07Å; T158-K249 HydrophobicContact CG2-CB 3.72Å; T158-K249 HydrophobicContact CG2-CD 4.07Å; T158-K249 HydrophobicContact CG2-CG 3.85Å; L160-K249 PolarHBondContact O-N 2.87Å; F161-K249 VanDerWaalsContact CA-O 3.24Å; F161-K249 WeakPolarHBondContact CA-O 3.36Å; F161-K249 HydrophobicContact CB-CB 4.3Å; F161-K249 VanDerWaalsContact CB-O 3.27Å; F161-K249 WeakPolarHBondContact CB-O 3.39Å; P247-K249 VanDerWaalsContact C-N 3.34Å; P247-K249 WeakPolarHBondContact CB-O 3.27Å |
| 250 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.5 | 169.5 | 177 | 0 | 0 | 0 | 0 | 108.2 | T20 W22 P25 I26 V27 G162 L164 Y197 P247 | T20-V250 HydrophobicContact CG2-CB 4.5Å; T20-V250 HydrophobicContact CG2-CG2 3.85Å; W22-V250 HydrophobicContact CZ2-CG2 4.23Å; P25-V250 PolarHBondContact O-N 3.48Å; I26-V250 CarbonylContact C-O 3.52Å; I26-V250 WeakPolarHBondContact CA-O 3.33Å; I26-V250 HydrophobicContact CG1-CB 4.28Å; I26-V250 HydrophobicContact CG2-CB 4.39Å; I26-V250 HydrophobicContact CG2-CG1 4.32Å; V27-V250 PolarHBondContact N-O 2.77Å; G162-V250 CarbonylContact O-C 3.59Å; G162-V250 WeakPolarHBondContact O-CA 3.48Å; L164-V250 HydrophobicContact CD1-CG1 4.33Å; L164-V250 HydrophobicContact CD2-CG1 3.64Å; L164-V250 HydrophobicContact CG-CG1 3.66Å; Y197-V250 HydrophobicContact CE1-CG1 4.02Å; Y197-V250 HydrophobicContact CE1-CG2 4.06Å; P247-V250 HydrophobicContact CG-CG2 3.81Å |
| 251 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.5 | 176.6 | -51.9 | -171.8 | 0 | 0 | 0 | 109.9 | V27 I156 F161 G162 T163 L164 F201 Y255 | V27-L251 HydrophobicContact CB-CD2 3.93Å; V27-L251 HydrophobicContact CG2-CD2 3.75Å; I156-L251 HydrophobicContact CB-CD1 3.98Å; I156-L251 HydrophobicContact CB-CD2 3.78Å; I156-L251 HydrophobicContact CG2-CD1 3.89Å; I156-L251 HydrophobicContact CG2-CD2 3.79Å; F161-L251 HydrophobicContact CD2-CD1 3.63Å; F161-L251 HydrophobicContact CD2-CG 3.82Å; F161-L251 HydrophobicContact CE2-CD1 3.63Å; F161-L251 HydrophobicContact CE2-CG 4.34Å; F161-L251 HydrophobicContact CG-CG 4.48Å; G162-L251 PolarHBondContact O-N 2.99Å; T163-L251 HydrophobicContact CG2-CB 3.99Å; L164-L251 WeakPolarHBondContact CG-O 3.39Å; L164-L251 PolarHBondContact N-O 3.44Å; F201-L251 HydrophobicContact CD1-CD1 4.36Å; F201-L251 HydrophobicContact CE1-CD1 3.93Å; F201-L251 HydrophobicContact CZ-CD1 4.07Å; L251-Y255 HydrophobicContact CB-CD2 3.94Å; L251-Y255 HydrophobicContact CB-CG 4Å; L251-Y255 HydrophobicContact CD1-CD1 4.18Å; L251-Y255 HydrophobicContact CD1-CG 4.06Å |
| 252 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -67.3 | 167.7 | 172.7 | 66 | 0 | 0 | 0 | 0 | 112 | V27 W28 E254 Y255 | V27-S252 WeakPolarHBondContact O-CB 3.26Å; V27-S252 PolarHBondContact O-N 2.92Å; V27-S252 VanDerWaalsContact O-N 3.16Å; V27-S252 PolarHBondContact O-OG 3.47Å; W28-S252 VanDerWaalsContact CE3-CB 3.41Å; S252-E254 PolarHBondContact O-N 3.41Å; S252-E254 WeakPolarHBondContact OG-CB 3.31Å; S252-E254 WeakPolarHBondContact OG-CG 3.24Å; S252-E254 PolarHBondContact OG-N 3.4Å; S252-Y255 PolarHBondContact O-N 3.08Å | ||
| 253 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -62.9 | -6.7 | 173.5 | -20.1 | 33.1 | 0 | 0 | 0 | 114.5 | W28 L164 P166 Y169 Y255 L256 W257 L268 | W28-P253 VanDerWaalsContact CH2-CD 3.49Å; W28-P253 HydrophobicContact CH2-CG 4.37Å; L164-P253 HydrophobicContact CB-CG 4.11Å; P166-P253 HydrophobicContact CB-CB 4.33Å; Y169-P253 HydrophobicContact CD1-CB 4.39Å; Y169-P253 HydrophobicContact CD1-CG 3.67Å; Y169-P253 HydrophobicContact CD2-CG 4.24Å; Y169-P253 HydrophobicContact CE1-CG 4.38Å; Y169-P253 HydrophobicContact CG-CG 3.59Å; P253-Y255 PolarHBondContact O-N 3.22Å; P253-L256 CarbonylContact O-C 3.53Å; P253-L256 VanDerWaalsContact O-C 3.28Å; P253-L256 PolarHBondContact O-N 2.89Å; P253-W257 HydrophobicContact CB-CE3 3.59Å; P253-W257 HydrophobicContact CB-CZ3 3.63Å; P253-L268 HydrophobicContact CB-CD2 4.11Å |
| 254 | E | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58.8 | -29.9 | 169.1 | -60.1 | -179 | 173.7 | 0 | 0 | 111.3 | R13 W28 E29 S252 L268 K270 R272 | R13-E254 IonicContact NH1-OE1 3.31Å; W28-E254 HydrophobicContact CE3-CG 4.1Å; W28-E254 HydrophobicContact CZ3-CG 4.39Å; E29-E254 WeakPolarHBondContact CB-OE1 3.29Å; E29-E254 WeakPolarHBondContact CB-OE2 3.41Å; E29-E254 PolarHBondContact N-OE1 3.03Å; E29-E254 PolarHBondContact N-OE2 3.3Å; S252-E254 PolarHBondContact O-N 3.41Å; S252-E254 WeakPolarHBondContact OG-CB 3.31Å; S252-E254 WeakPolarHBondContact OG-CG 3.24Å; S252-E254 PolarHBondContact OG-N 3.4Å; E254-L268 HydrophobicContact CG-CD2 3.73Å; E254-K270 WeakPolarHBondContact CB-O 3.49Å; E254-K270 WeakPolarHBondContact CG-O 3.49Å; E254-R272 HydrophobicContact CB-CG 4.24Å; E254-R272 WeakPolarHBondContact O-CA 3.29Å; E254-R272 WeakPolarHBondContact O-CB 3.46Å; E254-R272 WeakPolarHBondContact O-CG 3.38Å; E254-R272 PolarHBondContact O-N 3.31Å; E254-R272 IonicContact OE2-CZ 3.2Å; E254-R272 IonicContact OE2-NE 2.89Å; E254-R272 PolarHBondContact OE2-NE 2.9Å; E254-R272 VanDerWaalsContact OE2-NE 3.08Å; E254-R272 IonicContact OE2-NH2 2.69Å; E254-R272 PolarHBondContact OE2-NH2 2.83Å |
| 255 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -88.6 | -6.8 | -177.1 | -68.9 | -90.5 | 0 | 0 | 0 | 113.9 | V27 V152 E155 I156 F201 L251 S252 P253 R272 F273 | V27-Y255 HydrophobicContact CB-CE2 4.16Å; V27-Y255 HydrophobicContact CG1-CE2 3.76Å; V27-Y255 WeakPolarHBondContact CG1-OH 3.24Å; V27-Y255 WeakPolarHBondContact O-CE2 3.39Å; V152-Y255 HydrophobicContact CG1-CD1 4.18Å; V152-Y255 HydrophobicContact CG1-CE1 4.28Å; V152-Y255 HydrophobicContact CG2-CD1 4.19Å; V152-Y255 HydrophobicContact CG2-CE1 4.4Å; E155-Y255 WeakPolarHBondContact CG-OH 3.36Å; E155-Y255 WeakPolarHBondContact OE1-CE1 3.35Å; E155-Y255 PolarHBondContact OE1-OH 2.83Å; I156-Y255 HydrophobicContact CG2-CD1 3.79Å; I156-Y255 HydrophobicContact CG2-CE1 3.33Å; F201-Y255 WeakPolarHBondContact CD2-O 3.5Å; F201-Y255 VanDerWaalsContact CE2-O 3.3Å; F201-Y255 WeakPolarHBondContact CE2-O 3.33Å; L251-Y255 HydrophobicContact CB-CD2 3.94Å; L251-Y255 HydrophobicContact CB-CG 4Å; L251-Y255 HydrophobicContact CD1-CD1 4.18Å; L251-Y255 HydrophobicContact CD1-CG 4.06Å; S252-Y255 PolarHBondContact O-N 3.08Å; P253-Y255 PolarHBondContact O-N 3.22Å; Y255-R272 VanDerWaalsContact CE1-CD 3.47Å; Y255-R272 VanDerWaalsContact CZ-CD 3.47Å; Y255-F273 WeakPolarHBondContact O-CB 3.4Å |
| 256 | L | 97.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -158.8 | 117.3 | 163 | -165.3 | 146.6 | 0 | 0 | 0 | 110.5 | M146 T163 P166 L198 A200 F201 P253 F273 | M146-L256 HydrophobicContact CE-CD1 3.46Å; M146-L256 VanDerWaalsContact CE-CD1 3.46Å; M146-L256 HydrophobicContact CE-CD2 3.93Å; M146-L256 HydrophobicContact CE-CG 3.9Å; M146-L256 HydrophobicContact SD-CD1 4.26Å; M146-L256 HydrophobicContact SD-CG 4.33Å; T163-L256 HydrophobicContact CG2-CB 4.19Å; P166-L256 HydrophobicContact CG-CD2 4.16Å; L198-L256 HydrophobicContact CD2-CB 3.78Å; L198-L256 HydrophobicContact CD2-CD1 3.18Å; L198-L256 HydrophobicContact CD2-CD2 3.23Å; L198-L256 HydrophobicContact CD2-CG 3.49Å; L198-L256 VanDerWaalsContact CD2-CG 3.49Å; L198-L256 HydrophobicContact CG-CD1 4.46Å; A200-L256 HydrophobicContact CB-CD1 3.67Å; F201-L256 HydrophobicContact CB-CD1 4Å; P253-L256 CarbonylContact O-C 3.53Å; P253-L256 VanDerWaalsContact O-C 3.28Å; P253-L256 PolarHBondContact O-N 2.89Å; L256-F273 CarbonylContact C-O 3.28Å; L256-F273 VanDerWaalsContact CA-O 3.27Å; L256-F273 WeakPolarHBondContact CA-O 3.49Å; L256-F273 HydrophobicContact CD1-CD1 4.08Å; L256-F273 HydrophobicContact CD1-CE1 4.08Å; L256-F273 HydrophobicContact CG-CD1 4.27Å |
| 257 | W | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -138.2 | 147.5 | -174.1 | -164.6 | -107.4 | 0 | 0 | 0 | 113.8 | P166 Y169 P253 L262 G263 P265 L268 L271 F273 T274 A275 | P166-W257 HydrophobicContact CB-CD2 4.24Å; P166-W257 HydrophobicContact CB-CE3 3.32Å; P166-W257 HydrophobicContact CB-CH2 4.46Å; P166-W257 HydrophobicContact CB-CZ3 3.45Å; P166-W257 VanDerWaalsContact CB-CZ3 3.45Å; Y169-W257 HydrophobicContact CD1-CZ3 4.33Å; Y169-W257 AromaticContact CE1-CH2 3.8Å; Y169-W257 HydrophobicContact CE1-CH2 3.8Å; Y169-W257 AromaticContact CE1-CZ3 3.75Å; Y169-W257 HydrophobicContact CE1-CZ3 3.75Å; P253-W257 HydrophobicContact CB-CE3 3.59Å; P253-W257 HydrophobicContact CB-CZ3 3.63Å; W257-L262 HydrophobicContact CD2-CD1 4.49Å; W257-L262 HydrophobicContact CE3-CD1 4.37Å; W257-L262 HydrophobicContact CH2-CB 3.85Å; W257-L262 HydrophobicContact CH2-CD1 3.88Å; W257-L262 HydrophobicContact CH2-CG 4.48Å; W257-L262 HydrophobicContact CZ2-CB 3.3Å; W257-L262 HydrophobicContact CZ2-CD1 4.03Å; W257-L262 HydrophobicContact CZ2-CG 4.31Å; W257-L262 HydrophobicContact CZ3-CD1 4.06Å; W257-G263 PolarHBondContact NE1-O 2.97Å; W257-P265 HydrophobicContact CH2-CG 3.9Å; W257-P265 VanDerWaalsContact CZ2-CD 3.43Å; W257-P265 HydrophobicContact CZ2-CG 3.67Å; W257-L268 HydrophobicContact CD2-CD1 3.39Å; W257-L268 HydrophobicContact CE3-CD1 3.46Å; W257-L268 VanDerWaalsContact CE3-CD1 3.46Å; W257-L268 HydrophobicContact CG-CD1 4.12Å; W257-L268 HydrophobicContact CH2-CD1 3.64Å; W257-L268 HydrophobicContact CZ2-CD1 3.53Å; W257-L268 HydrophobicContact CZ3-CD1 3.6Å; W257-L271 HydrophobicContact CB-CD2 4.13Å; W257-L271 HydrophobicContact CD2-CD2 4.33Å; W257-L271 HydrophobicContact CG-CD2 3.72Å; W257-F273 PolarHBondContact N-O 3.35Å; W257-T274 HydrophobicContact CB-CG2 4.26Å; W257-T274 CarbonylContact O-C 3.56Å; W257-T274 WeakPolarHBondContact O-CA 3.49Å; W257-T274 WeakPolarHBondContact O-CB 3.32Å; W257-A275 PolarHBondContact O-N 3.03Å |
| 258 | D | 98.1 | Very high | 98.2 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | trans | -112 | 97.4 | 168.1 | -170.9 | -37.5 | 0 | 0 | 0 | 108.9 | Q260 L261 L262 A275 | D258-Q260 VanDerWaalsContact C-N 3.26Å; D258-Q260 PolarHBondContact O-N 2.69Å; D258-Q260 WeakPolarHBondContact OD1-CA 3.45Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.39Å; D258-Q260 PolarHBondContact OD1-N 3.26Å; D258-L261 HydrophobicContact CB-CB 4.3Å; D258-L261 PolarHBondContact O-N 2.9Å; D258-L261 PolarHBondContact OD1-N 2.79Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.41Å; D258-L262 VanDerWaalsContact O-CB 3.29Å; D258-L262 WeakPolarHBondContact O-CB 3.4Å; D258-L262 PolarHBondContact O-N 3.1Å; D258-A275 HydrophobicContact CB-CB 4.15Å | ||
| 259 | Q | 97.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68 | -28.7 | -178.5 | -169 | -177.1 | 14.9 | 0 | 0 | 112.2 | G263 L271 | Q259-G263 VanDerWaalsContact O-CA 3.29Å; Q259-G263 WeakPolarHBondContact O-CA 3.21Å; Q259-G263 PolarHBondContact O-N 2.84Å; Q259-L271 HydrophobicContact CB-CD1 4.35Å; Q259-L271 HydrophobicContact CG-CD1 4.14Å |
| 260 | Q | 96.2 | Very high | 98.2 | Very high | 144 Ų | 144 | 47 Ų | 47 | 67% | 0.673 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.9 | -41.5 | -179.5 | -177.3 | 178.6 | 7.3 | 0 | 0 | 110.8 | D258 | D258-Q260 VanDerWaalsContact C-N 3.26Å; D258-Q260 PolarHBondContact O-N 2.69Å; D258-Q260 WeakPolarHBondContact OD1-CA 3.45Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.39Å; D258-Q260 PolarHBondContact OD1-N 3.26Å |
| 261 | L | 95.9 | Very high | 98.2 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 69% | 0.686 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -85.5 | -32.9 | -178.8 | -64.8 | -178.8 | 0 | 0 | 0 | 113.3 | D258 | D258-L261 HydrophobicContact CB-CB 4.3Å; D258-L261 PolarHBondContact O-N 2.9Å; D258-L261 PolarHBondContact OD1-N 2.79Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.41Å |
| 262 | L | 97.7 | Very high | 98.1 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -118 | -1.1 | -166.6 | -54.8 | 171 | 0 | 0 | 0 | 113.8 | P166 W257 D258 | P166-L262 HydrophobicContact CB-CD1 3.58Å; P166-L262 HydrophobicContact CG-CD1 4.14Å; W257-L262 HydrophobicContact CD2-CD1 4.49Å; W257-L262 HydrophobicContact CE3-CD1 4.37Å; W257-L262 HydrophobicContact CH2-CB 3.85Å; W257-L262 HydrophobicContact CH2-CD1 3.88Å; W257-L262 HydrophobicContact CH2-CG 4.48Å; W257-L262 HydrophobicContact CZ2-CB 3.3Å; W257-L262 HydrophobicContact CZ2-CD1 4.03Å; W257-L262 HydrophobicContact CZ2-CG 4.31Å; W257-L262 HydrophobicContact CZ3-CD1 4.06Å; D258-L262 VanDerWaalsContact O-CB 3.29Å; D258-L262 WeakPolarHBondContact O-CB 3.4Å; D258-L262 PolarHBondContact O-N 3.1Å |
| 263 | G | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | trans | 64.7 | -148.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W257 Q259 | W257-G263 PolarHBondContact NE1-O 2.97Å; Q259-G263 VanDerWaalsContact O-CA 3.29Å; Q259-G263 WeakPolarHBondContact O-CA 3.21Å; Q259-G263 PolarHBondContact O-N 2.84Å | ||
| 264 | W | 98.4 | Very high | 98.1 | Very high | 151 Ų | 151 | 47.5 Ų | 47.5 | 57% | 0.572 | 25% | 0.248 | S | C | * | . | trans | -132.4 | 86.4 | 174.3 | -168.4 | -16.8 | 0 | 0 | 0 | 109.8 | L268 L271 | W264-L268 PolarHBondContact NE1-O 3.38Å; W264-L271 HydrophobicContact CB-CD1 4.36Å; W264-L271 HydrophobicContact CD2-CD1 3.63Å; W264-L271 HydrophobicContact CD2-CG 3.91Å; W264-L271 HydrophobicContact CE3-CD1 3.84Å; W264-L271 HydrophobicContact CE3-CG 4.42Å; W264-L271 HydrophobicContact CG-CD1 3.87Å; W264-L271 HydrophobicContact CG-CD2 4.46Å; W264-L271 HydrophobicContact CG-CG 4.22Å; W264-L271 HydrophobicContact CZ2-CG 4.14Å; W264-L271 HydrophobicContact CZ3-CD1 4.39Å | ||
| 265 | P | 98.1 | Very high | 98.1 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 24% | 0.24 | 25% | 0.253 | C | S | . | . | trans | -68.6 | 147.6 | 179.8 | 28.3 | -35.9 | 0 | 0 | 0 | 111.7 | W257 V267 L268 | W257-P265 HydrophobicContact CH2-CG 3.9Å; W257-P265 VanDerWaalsContact CZ2-CD 3.43Å; W257-P265 HydrophobicContact CZ2-CG 3.67Å; P265-V267 HydrophobicContact CB-CG1 4.16Å; P265-V267 HydrophobicContact CG-CG1 4.14Å; P265-V267 PolarHBondContact O-N 2.89Å; P265-L268 HydrophobicContact CG-CD1 3.78Å; P265-L268 HydrophobicContact CG-CG 4.04Å; P265-L268 PolarHBondContact O-N 3.34Å | ||
| 266 | A | 98.1 | Very high | 98 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 84% | 0.835 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L268 | A266-L268 PolarHBondContact O-N 2.69Š|
| 267 | V | 98.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.8 | 176.1 | 72 | 0 | 0 | 0 | 0 | 112.7 | R13 V16 W28 Y169 P265 | R13-V267 PolarHBondContact NH2-O 3.49Å; V16-V267 HydrophobicContact CG1-CG2 3.21Å; W28-V267 HydrophobicContact CH2-CG2 4.38Å; W28-V267 HydrophobicContact CZ3-CG2 4.24Å; Y169-V267 HydrophobicContact CE2-CG1 4.2Å; P265-V267 HydrophobicContact CB-CG1 4.16Å; P265-V267 HydrophobicContact CG-CG1 4.14Å; P265-V267 PolarHBondContact O-N 2.89Å |
| 268 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | -91.8 | 104.7 | 176.9 | -59.8 | 175.4 | 0 | 0 | 0 | 109.3 | W28 P253 E254 W257 W264 P265 A266 K270 L271 | W28-L268 HydrophobicContact CH2-CD2 4.44Å; W28-L268 HydrophobicContact CZ3-CD2 3.75Å; P253-L268 HydrophobicContact CB-CD2 4.11Å; E254-L268 HydrophobicContact CG-CD2 3.73Å; W257-L268 HydrophobicContact CD2-CD1 3.39Å; W257-L268 HydrophobicContact CE3-CD1 3.46Å; W257-L268 VanDerWaalsContact CE3-CD1 3.46Å; W257-L268 HydrophobicContact CG-CD1 4.12Å; W257-L268 HydrophobicContact CH2-CD1 3.64Å; W257-L268 HydrophobicContact CZ2-CD1 3.53Å; W257-L268 HydrophobicContact CZ3-CD1 3.6Å; W264-L268 PolarHBondContact NE1-O 3.38Å; P265-L268 HydrophobicContact CG-CD1 3.78Å; P265-L268 HydrophobicContact CG-CG 4.04Å; P265-L268 PolarHBondContact O-N 3.34Å; A266-L268 PolarHBondContact O-N 2.69Å; L268-K270 VanDerWaalsContact C-N 3.27Å; L268-L271 HydrophobicContact CB-CD2 4.08Å; L268-L271 HydrophobicContact CD1-CD2 3.65Å; L268-L271 HydrophobicContact CG-CD2 4.48Å | ||
| 269 | R | 98.7 | Very high | 97.6 | Very high | 129 Ų | 129 | 58.9 Ų | 58.9 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.7 | -23.9 | 176.3 | -63.2 | -177.6 | 178.7 | -179.8 | -0.3 | 112.1 | E29 | E29-R269 HydrophobicContact CB-CB 3.9Å; E29-R269 HydrophobicContact CG-CB 3.98Å |
| 270 | K | 98.8 | Very high | 97.1 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | trans | -139.7 | 147.5 | 179.2 | -70.1 | 177.9 | 169.9 | -85.4 | 0 | 110.5 | E29 D150 E254 L268 R272 | E29-K270 HydrophobicContact CB-CD 4.4Å; E29-K270 HydrophobicContact CG-CD 3.99Å; E29-K270 HydrophobicContact CG-CG 4.3Å; E29-K270 WeakPolarHBondContact OE2-CD 3.39Å; E29-K270 WeakPolarHBondContact OE2-CE 3.38Å; D150-K270 IonicContact OD1-NZ 2.89Å; D150-K270 PolarHBondContact OD1-NZ 3.02Å; D150-K270 WeakPolarHBondContact OD2-CD 3.4Å; D150-K270 WeakPolarHBondContact OD2-CG 3.14Å; D150-K270 IonicContact OD2-NZ 3.23Å; D150-K270 PolarHBondContact OD2-NZ 3.39Å; E254-K270 WeakPolarHBondContact CB-O 3.49Å; E254-K270 WeakPolarHBondContact CG-O 3.49Å; L268-K270 VanDerWaalsContact C-N 3.27Å; K270-R272 HydrophobicContact CB-CG 4.08Å | ||
| 271 | L | 98.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | trans | -112.4 | 100.9 | 166.3 | -57.6 | -175.9 | 0 | 0 | 0 | 106.9 | R149 W257 Q259 W264 L268 T274 | R149-L271 WeakPolarHBondContact CB-O 3.35Å; W257-L271 HydrophobicContact CB-CD2 4.13Å; W257-L271 HydrophobicContact CD2-CD2 4.33Å; W257-L271 HydrophobicContact CG-CD2 3.72Å; Q259-L271 HydrophobicContact CB-CD1 4.35Å; Q259-L271 HydrophobicContact CG-CD1 4.14Å; W264-L271 HydrophobicContact CB-CD1 4.36Å; W264-L271 HydrophobicContact CD2-CD1 3.63Å; W264-L271 HydrophobicContact CD2-CG 3.91Å; W264-L271 HydrophobicContact CE3-CD1 3.84Å; W264-L271 HydrophobicContact CE3-CG 4.42Å; W264-L271 HydrophobicContact CG-CD1 3.87Å; W264-L271 HydrophobicContact CG-CD2 4.46Å; W264-L271 HydrophobicContact CG-CG 4.22Å; W264-L271 HydrophobicContact CZ2-CG 4.14Å; W264-L271 HydrophobicContact CZ3-CD1 4.39Å; L268-L271 HydrophobicContact CB-CD2 4.08Å; L268-L271 HydrophobicContact CD1-CD2 3.65Å; L268-L271 HydrophobicContact CG-CD2 4.48Å; L271-T274 HydrophobicContact CB-CG2 3.93Å | ||
| 272 | R | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | trans | -91.1 | -39.7 | -166 | -52.9 | 168.5 | -177.9 | -81.7 | 0.2 | 112.6 | E29 F148 R149 D150 H151 V152 E254 Y255 K270 | E29-R272 IonicContact OE2-CZ 2.95Å; E29-R272 IonicContact OE2-NH1 3.99Å; E29-R272 IonicContact OE2-NH2 2.73Å; E29-R272 PolarHBondContact OE2-NH2 2.98Å; F148-R272 CarbonylContact C-O 3.51Å; F148-R272 WeakPolarHBondContact CA-O 3.34Å; R149-R272 PolarHBondContact N-O 3.31Å; D150-R272 HydrophobicContact CB-CB 4.37Å; D150-R272 HydrophobicContact CB-CG 4.23Å; D150-R272 PolarHBondContact N-O 2.81Å; H151-R272 WeakPolarHBondContact O-CD 3.35Å; H151-R272 PolarHBondContact O-NH1 3.35Å; V152-R272 HydrophobicContact CG2-CB 3.69Å; E254-R272 HydrophobicContact CB-CG 4.24Å; E254-R272 WeakPolarHBondContact O-CA 3.29Å; E254-R272 WeakPolarHBondContact O-CB 3.46Å; E254-R272 WeakPolarHBondContact O-CG 3.38Å; E254-R272 PolarHBondContact O-N 3.31Å; E254-R272 IonicContact OE2-CZ 3.2Å; E254-R272 IonicContact OE2-NE 2.89Å; E254-R272 PolarHBondContact OE2-NE 2.9Å; E254-R272 VanDerWaalsContact OE2-NE 3.08Å; E254-R272 IonicContact OE2-NH2 2.69Å; E254-R272 PolarHBondContact OE2-NH2 2.83Å; Y255-R272 VanDerWaalsContact CE1-CD 3.47Å; Y255-R272 VanDerWaalsContact CZ-CD 3.47Å; K270-R272 HydrophobicContact CB-CG 4.08Å | ||
| 273 | F | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 122.7 | -179.1 | -178 | -120.9 | 0 | 0 | 0 | 108.2 | F65 V142 M146 E147 F148 F201 Y255 L256 W257 | F65-F273 HydrophobicContact CD2-CE2 4.24Å; F65-F273 HydrophobicContact CD2-CZ 4.48Å; F65-F273 AromaticContact CE2-CE2 3.93Å; F65-F273 HydrophobicContact CE2-CE2 3.93Å; F65-F273 AromaticContact CE2-CZ 3.93Å; F65-F273 HydrophobicContact CE2-CZ 3.93Å; V142-F273 HydrophobicContact CB-CE1 4.14Å; V142-F273 HydrophobicContact CB-CZ 4.06Å; V142-F273 HydrophobicContact CG1-CE1 4.25Å; V142-F273 HydrophobicContact CG1-CZ 4.46Å; V142-F273 HydrophobicContact CG2-CZ 4.26Å; M146-F273 HydrophobicContact CB-CD1 4.38Å; M146-F273 HydrophobicContact CB-CD2 4.03Å; M146-F273 HydrophobicContact CB-CE1 3.7Å; M146-F273 HydrophobicContact CB-CE2 3.27Å; M146-F273 HydrophobicContact CB-CZ 3.08Å; M146-F273 HydrophobicContact CG-CD1 4.45Å; M146-F273 HydrophobicContact CG-CE1 3.63Å; M146-F273 HydrophobicContact CG-CE2 4.16Å; M146-F273 HydrophobicContact CG-CZ 3.48Å; M146-F273 VanDerWaalsContact CG-CZ 3.48Å; M146-F273 HydrophobicContact SD-CE1 4.26Å; E147-F273 CarbonylContact O-C 3.54Å; E147-F273 WeakPolarHBondContact O-CA 3.38Å; E147-F273 WeakPolarHBondContact O-CD2 3.43Å; F148-F273 HydrophobicContact CD1-CB 4.31Å; F148-F273 AromaticContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CE2 4.31Å; F148-F273 HydrophobicContact CD1-CG 4.31Å; F148-F273 AromaticContact CD2-CD2 3.85Å; F148-F273 HydrophobicContact CD2-CD2 3.85Å; F148-F273 AromaticContact CD2-CE2 3.86Å; F148-F273 HydrophobicContact CD2-CE2 3.86Å; F148-F273 AromaticContact CE1-CD2 3.65Å; F148-F273 HydrophobicContact CE1-CD2 3.65Å; F148-F273 AromaticContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CG 4.23Å; F148-F273 AromaticContact CE2-CD2 3.85Å; F148-F273 HydrophobicContact CE2-CD2 3.85Å; F148-F273 AromaticContact CE2-CE2 3.51Å; F148-F273 HydrophobicContact CE2-CE2 3.51Å; F148-F273 HydrophobicContact CE2-CZ 4.48Å; F148-F273 AromaticContact CG-CD2 3.74Å; F148-F273 HydrophobicContact CG-CD2 3.74Å; F148-F273 HydrophobicContact CG-CE2 4.24Å; F148-F273 AromaticContact CZ-CD2 3.75Å; F148-F273 HydrophobicContact CZ-CD2 3.75Å; F148-F273 AromaticContact CZ-CE2 3.58Å; F148-F273 HydrophobicContact CZ-CE2 3.58Å; F148-F273 HydrophobicContact CZ-CZ 4.32Å; F201-F273 AromaticContact CD2-CD1 3.78Å; F201-F273 HydrophobicContact CD2-CD1 3.78Å; F201-F273 HydrophobicContact CD2-CE1 4.13Å; F201-F273 HydrophobicContact CE2-CD1 4.1Å; Y255-F273 WeakPolarHBondContact O-CB 3.4Å; L256-F273 CarbonylContact C-O 3.28Å; L256-F273 VanDerWaalsContact CA-O 3.27Å; L256-F273 WeakPolarHBondContact CA-O 3.49Å; L256-F273 HydrophobicContact CD1-CD1 4.08Å; L256-F273 HydrophobicContact CD1-CE1 4.08Å; L256-F273 HydrophobicContact CG-CD1 4.27Å; W257-F273 PolarHBondContact N-O 3.35Å |
| 274 | T | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.3 | -165.3 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | M146 E147 R149 W257 L271 | M146-T274 CarbonylContact C-O 3.5Å; M146-T274 VanDerWaalsContact CA-O 3.28Å; M146-T274 WeakPolarHBondContact CA-O 3.27Å; E147-T274 WeakPolarHBondContact CG-OG1 3.44Å; E147-T274 PolarHBondContact N-O 2.75Å; E147-T274 PolarHBondContact O-N 3.3Å; R149-T274 VanDerWaalsContact CD-OG1 3.32Å; R149-T274 WeakPolarHBondContact CD-OG1 3.22Å; R149-T274 PolarHBondContact NE-OG1 3.36Å; R149-T274 VanDerWaalsContact NE-OG1 3.1Å; W257-T274 HydrophobicContact CB-CG2 4.26Å; W257-T274 CarbonylContact O-C 3.56Å; W257-T274 WeakPolarHBondContact O-CA 3.49Å; W257-T274 WeakPolarHBondContact O-CB 3.32Å; L271-T274 HydrophobicContact CB-CG2 3.93Å |
| 275 | A | 98.1 | Very high | 95 | Very high | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 134.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M146 W257 D258 | M146-A275 WeakPolarHBondContact SD-CA 3.24Å; M146-A275 HydrophobicContact SD-CB 4.07Å; W257-A275 PolarHBondContact O-N 3.03Å; D258-A275 HydrophobicContact CB-CB 4.15Å |
| 276 | V | 97.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -85 | 129 | 169 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | F61 L64 D145 E147 K278 | F61-V276 HydrophobicContact CD1-CB 4.36Å; F61-V276 HydrophobicContact CD1-CG1 4.13Å; F61-V276 HydrophobicContact CE1-CB 4.38Å; F61-V276 HydrophobicContact CE1-CG1 4.03Å; L64-V276 HydrophobicContact CD2-CG2 3.81Å; D145-V276 PolarHBondContact O-N 2.73Å; E147-V276 HydrophobicContact CB-CG2 4.13Å; E147-V276 HydrophobicContact CG-CG2 4.24Å; V276-K278 PolarHBondContact O-N 3.01Å |
| 277 | P | 94.8 | Very high | 93.7 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 132.5 | 177.2 | -27.6 | 35.6 | 0 | 0 | 0 | 111.9 | ||
| 278 | K | 94.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | trans | -150.7 | 149 | -177 | 59.9 | -178.2 | 174.1 | -92.3 | 0 | 111.1 | F61 D145 V276 H280 | F61-K278 HydrophobicContact CE1-CB 4.48Å; F61-K278 HydrophobicContact CZ-CB 4.05Å; F61-K278 HydrophobicContact CZ-CD 4.35Å; D145-K278 HydrophobicContact CB-CD 4.05Å; D145-K278 VanDerWaalsContact CG-NZ 3.32Å; D145-K278 WeakPolarHBondContact OD2-CD 3.44Å; D145-K278 WeakPolarHBondContact OD2-CE 3.47Å; D145-K278 IonicContact OD2-NZ 2.73Å; D145-K278 PolarHBondContact OD2-NZ 3.05Å; V276-K278 PolarHBondContact O-N 3.01Å; K278-H280 VanDerWaalsContact CE-NE2 3.33Å; K278-H280 WeakPolarHBondContact CE-NE2 3.42Å | ||
| 279 | N | 95 | Very high | 93.2 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | trans | -89.6 | 108.1 | 166.9 | -177.6 | -48.6 | 0 | 0 | 0 | 108.8 | Q281 A282 V283 | N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.21Å; N279-Q281 PolarHBondContact OD1-N 3.07Å; N279-A282 HydrophobicContact CB-CB 3.98Å; N279-A282 PolarHBondContact O-N 2.79Å; N279-A282 PolarHBondContact OD1-N 3.5Å; N279-V283 WeakPolarHBondContact O-CG1 3.37Å; N279-V283 PolarHBondContact O-N 2.92Å | ||
| 280 | H | 87.4 | Confident | 92.8 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.6 | -42.3 | -177.5 | -72.2 | 102.8 | 0 | 0 | 0 | 113.1 | K278 R284 | K278-H280 VanDerWaalsContact CE-NE2 3.33Å; K278-H280 WeakPolarHBondContact CE-NE2 3.42Å; H280-R284 VanDerWaalsContact CD2-CZ 3.41Å; H280-R284 PolarHBondContact CD2-NH2 2.82Å; H280-R284 WeakPolarHBondContact O-CB 3.4Å; H280-R284 WeakPolarHBondContact O-CD 3.29Å; H280-R284 VanDerWaalsContact O-CG 3.24Å; H280-R284 WeakPolarHBondContact O-CG 3.31Å; H280-R284 PolarHBondContact O-N 3.4Å; H280-R284 VanDerWaalsContact O-N 3.17Å |
| 281 | Q | 88.3 | Confident | 92.5 | Very high | 137 Ų | 137 | 56.1 Ų | 56.1 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.8 | -43.6 | -179.4 | -177.3 | 60.5 | 23.4 | 0 | 0 | 111.2 | N279 N285 | N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.21Å; N279-Q281 PolarHBondContact OD1-N 3.07Å; Q281-N285 VanDerWaalsContact CD-ND2 3.34Å; Q281-N285 PolarHBondContact NE2-ND2 3.4Å; Q281-N285 VanDerWaalsContact NE2-ND2 3.12Å; Q281-N285 WeakPolarHBondContact O-CB 3.48Å; Q281-N285 PolarHBondContact O-N 2.99Å; Q281-N285 PolarHBondContact O-ND2 2.99Å; Q281-N285 PolarHBondContact OE1-ND2 2.75Å |
| 282 | A | 91.2 | Very high | 92 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K57 N279 N285 | K57-A282 WeakPolarHBondContact CD-O 3.24Å; K57-A282 PolarHBondContact NZ-O 2.64Å; K57-A282 VanDerWaalsContact NZ-O 3.1Å; N279-A282 HydrophobicContact CB-CB 3.98Å; N279-A282 PolarHBondContact O-N 2.79Å; N279-A282 PolarHBondContact OD1-N 3.5Å; A282-N285 VanDerWaalsContact O-O 3.12Å |
| 283 | V | 91 | Very high | 91.6 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -83.3 | -28.2 | -176.3 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | K57 Y58 F61 N279 | K57-V283 HydrophobicContact CB-CG2 4.1Å; Y58-V283 HydrophobicContact CD2-CG2 4.18Å; Y58-V283 HydrophobicContact CE2-CG1 4.11Å; Y58-V283 HydrophobicContact CE2-CG2 4Å; F61-V283 HydrophobicContact CE2-CG2 3.82Å; F61-V283 HydrophobicContact CZ-CG2 4.11Å; N279-V283 WeakPolarHBondContact O-CG1 3.37Å; N279-V283 PolarHBondContact O-N 2.92Å |
| 284 | R | 89.5 | Confident | 91 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -86.3 | -16.8 | -178.2 | -69.5 | 172.3 | 171.1 | 172.6 | -1 | 114 | Y58 W113 H280 | Y58-R284 HydrophobicContact CE2-CG 4.29Å; Y58-R284 WeakPolarHBondContact OH-CG 3.49Å; W113-R284 HydrophobicContact CB-CB 3.97Å; W113-R284 HydrophobicContact CB-CG 3.88Å; W113-R284 HydrophobicContact CG-CB 4.16Å; W113-R284 HydrophobicContact CG-CG 4.02Å; H280-R284 VanDerWaalsContact CD2-CZ 3.41Å; H280-R284 PolarHBondContact CD2-NH2 2.82Å; H280-R284 WeakPolarHBondContact O-CB 3.4Å; H280-R284 WeakPolarHBondContact O-CD 3.29Å; H280-R284 VanDerWaalsContact O-CG 3.24Å; H280-R284 WeakPolarHBondContact O-CG 3.31Å; H280-R284 PolarHBondContact O-N 3.4Å; H280-R284 VanDerWaalsContact O-N 3.17Å |
| 285 | N | 81.6 | Confident | 90.4 | Very high | 61 Ų | 61 | 73.8 Ų | 73.8 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | trans | -120.8 | 151.5 | -176.2 | -58.8 | -74.7 | 0 | 0 | 0 | 111 | K57 Q281 A282 | K57-N285 VanDerWaalsContact CE-O 3.25Å; K57-N285 WeakPolarHBondContact CE-O 3.39Å; K57-N285 PolarHBondContact NZ-O 3.04Å; Q281-N285 VanDerWaalsContact CD-ND2 3.34Å; Q281-N285 PolarHBondContact NE2-ND2 3.4Å; Q281-N285 VanDerWaalsContact NE2-ND2 3.12Å; Q281-N285 WeakPolarHBondContact O-CB 3.48Å; Q281-N285 PolarHBondContact O-N 2.99Å; Q281-N285 PolarHBondContact O-ND2 2.99Å; Q281-N285 PolarHBondContact OE1-ND2 2.75Å; A282-N285 VanDerWaalsContact O-O 3.12Å | ||
| 286 | P | 75.9 | Confident | 89.7 | Confident | 173 Ų | 173 | 79.2 Ų | 79.2 | 100% | 1.123 | 44% | 0.44 | S | S | * | . | trans | -52.2 | 0 | 172.1 | -25.4 | 35.5 | 0 | 0 | 0 | 113.3 | K57 | K57-P286 WeakPolarHBondContact CE-OXT 3.33Å; K57-P286 PolarHBondContact NZ-OXT 2.73Å |
Retrieved 286 of 286 residues in 168.6 ms
(Link to these results)