| 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 | 88.8 | Confident | 96.4 | Very high | 136 Ų | 136 | 127.5 Ų | 127.5 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | 0 | 141.8 | 0 | -59.8 | 173 | 74.1 | 0 | 0 | 108.6 | Y3 D35 I36 E39 | M1-Y3 HydrophobicContact CB-CD1 3.77Å; M1-Y3 HydrophobicContact CB-CE1 3.95Å; M1-D35 HydrophobicContact CE-CB 3.63Å; M1-I36 HydrophobicContact CE-CG1 4.02Å; M1-I36 HydrophobicContact SD-CG1 4.32Å; M1-E39 HydrophobicContact CE-CG 3.97Å; M1-E39 HydrophobicContact SD-CB 4.32Å; M1-E39 HydrophobicContact SD-CG 3.85Å | |||
| 2 | V | 96.8 | Very high | 96.6 | Very high | 156 Ų | 156 | 122.3 Ų | 122.3 | 95% | 0.945 | 67% | 0.67 | S | S | * | * | trans | -108.7 | 118.9 | 172.3 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | Y | 97.2 | Very high | 96.7 | Very high | 109 Ų | 109 | 113.7 Ų | 113.7 | 43% | 0.427 | 62% | 0.622 | S | S | . | * | trans | -148.2 | 160.4 | -179.6 | 53.7 | -102 | 0 | 0 | 0 | 110.4 | M1 Q5 I36 | M1-Y3 HydrophobicContact CB-CD1 3.77Å; M1-Y3 HydrophobicContact CB-CE1 3.95Å; Y3-Q5 PolarHBondContact O-N 3.26Å; Y3-I36 HydrophobicContact CD1-CD1 4.03Å; 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 4.04Å; Y3-I36 HydrophobicContact CE2-CD1 3.88Å; Y3-I36 HydrophobicContact CG-CD1 4.26Å | ||
| 4 | P | 97.3 | Very high | 96.8 | Very high | 114 Ų | 114 | 118.3 Ų | 118.3 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.3 | 178.8 | -26 | 35.4 | 0 | 0 | 0 | 112.7 | ||
| 5 | Q | 97.3 | Very high | 96.9 | Very high | 170 Ų | 170 | 115.9 Ų | 115.9 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131.3 | 178.8 | -172.9 | -178.7 | 7.2 | 0 | 0 | 110.9 | Y3 K7 | Y3-Q5 PolarHBondContact O-N 3.26Å; Q5-K7 PolarHBondContact O-N 3.09Å |
| 6 | P | 97.4 | Very high | 97 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.7 | 171.6 | -24.2 | 34 | 0 | 0 | 0 | 111.2 | V8 | P6-V8 PolarHBondContact O-N 3.01Š|
| 7 | K | 97.2 | Very high | 97.1 | Very high | 155 Ų | 155 | 109.9 Ų | 109.9 | 67% | 0.674 | 59% | 0.588 | S | S | * | * | trans | -90.9 | 95.3 | -179.4 | -65.7 | -176.3 | -177.8 | -178.5 | 0 | 110.1 | Q5 L9 T10 | Q5-K7 PolarHBondContact O-N 3.09Å; K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 3.38Å; K7-L9 VanDerWaalsContact O-N 3.16Å; K7-T10 PolarHBondContact O-N 3.31Å | ||
| 8 | V | 96.5 | Very high | 97.2 | Very high | 141 Ų | 141 | 106.1 Ų | 106.1 | 86% | 0.855 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -39.8 | -174.8 | 179.6 | 0 | 0 | 0 | 0 | 113.3 | P6 T10 | P6-V8 PolarHBondContact O-N 3.01Å; V8-T10 VanDerWaalsContact C-N 3.32Å |
| 9 | L | 97.4 | Very high | 97.3 | Very high | 169 Ų | 169 | 103.9 Ų | 103.9 | 89% | 0.885 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 10.4 | -179.2 | -57.7 | -180 | 0 | 0 | 0 | 113.6 | K7 | K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 3.38Å; K7-L9 VanDerWaalsContact O-N 3.16Å |
| 10 | T | 97.6 | Very high | 97.4 | Very high | 81 Ų | 81 | 98.9 Ų | 98.9 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -125.4 | 113.6 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | K7 V8 | K7-T10 PolarHBondContact O-N 3.31Å; V8-T10 VanDerWaalsContact C-N 3.32Å |
| 11 | P | 97.5 | Very high | 97.5 | Very high | 73 Ų | 73 | 99.6 Ų | 99.6 | 47% | 0.474 | 54% | 0.543 | S | S | . | . | trans | -65.7 | 141.6 | 177.9 | 29.4 | -36.2 | 0 | 0 | 0 | 110.6 | R13 K14 | P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.07Å; P11-K14 HydrophobicContact CB-CG 4.35Å; P11-K14 HydrophobicContact CG-CD 4.12Å; P11-K14 HydrophobicContact CG-CG 3.49Å; P11-K14 VanDerWaalsContact CG-CG 3.49Å | ||
| 12 | C | 97.9 | Very high | 97.9 | Very high | 66 Ų | 66 | 96.1 Ų | 96.1 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -67.5 | -32 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | G30 | C12-G30 WeakPolarHBondContact CB-O 3.48Š|
| 13 | R | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 95.6 Ų | 95.6 | 4% | 0.038 | 51% | 0.514 | C | S | . | . | trans | -137.4 | 140.1 | 172.8 | -64.5 | -67.1 | -66.7 | -92.9 | -4.2 | 109.1 | P11 D15 V16 V18 E29 T31 E254 V267 | P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.07Å; R13-D15 IonicContact CZ-OD1 3.57Å; R13-D15 IonicContact CZ-OD2 2.73Å; R13-D15 IonicContact NE-OD1 3.2Å; R13-D15 PolarHBondContact NE-OD1 2.97Å; R13-D15 IonicContact NE-OD2 3.68Å; R13-D15 PolarHBondContact NE-OD2 3.4Å; R13-D15 IonicContact NH2-OD1 2.7Å; R13-D15 IonicContact NH2-OD2 2.88Å; R13-D15 PolarHBondContact NH2-OD2 3.49Å; R13-V16 HydrophobicContact CB-CG2 3.69Å; R13-V16 HydrophobicContact CG-CG2 4.01Å; R13-V18 HydrophobicContact CB-CG1 3.75Å; R13-V18 HydrophobicContact CG-CG1 4.07Å; R13-E29 PolarHBondContact NH1-O 3.45Å; R13-T31 HydrophobicContact CG-CG2 4.12Å; R13-E254 IonicContact NH1-OE1 3.27Å; R13-V267 PolarHBondContact NH2-O 3.27Å | ||
| 14 | K | 98.4 | Very high | 98.1 | Very high | 178 Ų | 178 | 90.6 Ų | 90.6 | 77% | 0.774 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -112.4 | -8.3 | 179.1 | -69.8 | -175 | 178 | -176.3 | 0 | 112.9 | P11 | P11-K14 HydrophobicContact CB-CG 4.35Å; P11-K14 HydrophobicContact CG-CD 4.12Å; P11-K14 HydrophobicContact CG-CG 3.49Å; P11-K14 VanDerWaalsContact CG-CG 3.49Å |
| 15 | D | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 88 Ų | 88 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -110.8 | -7.5 | -165.7 | 55.5 | -45.7 | 0 | 0 | 0 | 112.8 | R13 | R13-D15 IonicContact CZ-OD1 3.57Å; R13-D15 IonicContact CZ-OD2 2.73Å; R13-D15 IonicContact NE-OD1 3.2Å; R13-D15 PolarHBondContact NE-OD1 2.97Å; R13-D15 IonicContact NE-OD2 3.68Å; R13-D15 PolarHBondContact NE-OD2 3.4Å; R13-D15 IonicContact NH2-OD1 2.7Å; R13-D15 IonicContact NH2-OD2 2.88Å; R13-D15 PolarHBondContact NH2-OD2 3.49Å |
| 16 | V | 98.6 | Very high | 98.3 | Very high | 32 Ų | 32 | 80.1 Ų | 80.1 | 19% | 0.194 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -144.6 | 157.5 | -177.7 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | R13 V18 W28 V267 | R13-V16 HydrophobicContact CB-CG2 3.69Å; R13-V16 HydrophobicContact CG-CG2 4.01Å; V16-V18 HydrophobicContact CG2-CG1 4.11Å; V16-W28 HydrophobicContact CB-CD2 4.33Å; V16-W28 HydrophobicContact CB-CZ2 4.12Å; V16-W28 HydrophobicContact CG1-CD2 4.29Å; V16-W28 HydrophobicContact CG1-CE3 4.36Å; V16-W28 HydrophobicContact CG1-CH2 3.94Å; V16-W28 HydrophobicContact CG1-CZ2 3.88Å; V16-W28 HydrophobicContact CG1-CZ3 4.16Å; V16-W28 HydrophobicContact CG2-CD2 3.97Å; V16-W28 HydrophobicContact CG2-CG 3.96Å; V16-V267 HydrophobicContact CG1-CG2 3.21Å |
| 17 | L | 98.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 75.7 Ų | 75.7 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | trans | -72.8 | 128.4 | 165.6 | -173.7 | 66.7 | 0 | 0 | 0 | 109.5 | V19 I26 W28 F195 | L17-V19 WeakPolarHBondContact CD1-O 3.42Å; L17-V19 VanDerWaalsContact CG-O 3.22Å; L17-V19 WeakPolarHBondContact CG-O 3.49Å; L17-I26 HydrophobicContact CB-CD1 4.1Å; L17-I26 HydrophobicContact CD2-CD1 3.74Å; L17-I26 HydrophobicContact CG-CD1 3.78Å; L17-W28 PolarHBondContact O-NE1 3.19Å; L17-W28 VanDerWaalsContact O-NE1 3.1Å; L17-F195 HydrophobicContact CD2-CZ 4.27Å | ||
| 18 | V | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 26% | 0.255 | 38% | 0.382 | S | S | . | . | trans | -111.2 | -5.3 | -178.6 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | R13 V16 I26 T31 | R13-V18 HydrophobicContact CB-CG1 3.75Å; R13-V18 HydrophobicContact CG-CG1 4.07Å; V16-V18 HydrophobicContact CG2-CG1 4.11Å; V18-I26 PolarHBondContact O-N 3.48Å; V18-T31 HydrophobicContact CB-CG2 4.17Å; V18-T31 HydrophobicContact CG1-CG2 3.73Å | ||
| 19 | V | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -147.2 | 135.9 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | L17 A24 | L17-V19 WeakPolarHBondContact CD1-O 3.42Å; L17-V19 VanDerWaalsContact CG-O 3.22Å; L17-V19 WeakPolarHBondContact CG-O 3.49Å; V19-A24 CarbonylContact C-O 3.39Å; V19-A24 WeakPolarHBondContact CA-O 3.13Å |
| 20 | T | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | trans | -75.7 | 165.3 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | W22 L23 A24 I26 F195 V250 | T20-W22 HydrophobicContact CG2-CD2 4.45Å; T20-W22 HydrophobicContact CG2-CH2 3.99Å; T20-W22 HydrophobicContact CG2-CZ2 3.63Å; T20-W22 HydrophobicContact CG2-CZ3 4.49Å; T20-W22 PolarHBondContact O-N 2.9Å; T20-W22 VanDerWaalsContact O-N 3.13Å; T20-W22 PolarHBondContact OG1-N 3.5Å; T20-W22 PolarHBondContact OG1-NE1 3.29Å; T20-L23 PolarHBondContact O-N 2.62Å; T20-A24 HydrophobicContact CG2-CB 4.12Å; T20-A24 WeakPolarHBondContact CG2-O 3.42Å; T20-A24 PolarHBondContact N-O 3.24Å; T20-A24 WeakPolarHBondContact OG1-CB 3.48Å; T20-A24 PolarHBondContact OG1-N 3.46Å; T20-A24 PolarHBondContact OG1-O 3.47Å; T20-I26 HydrophobicContact CG2-CD1 4.02Å; T20-I26 HydrophobicContact CG2-CG1 3.78Å; T20-F195 HydrophobicContact CG2-CE2 3.87Å; T20-F195 HydrophobicContact CG2-CZ 4.28Å; T20-V250 HydrophobicContact CG2-CG2 3.88Å | ||
| 21 | P | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.2 | 173.4 | -26.4 | 36.5 | 0 | 0 | 0 | 114.9 | ||
| 22 | W | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 20.4 | 174.5 | 63.3 | 86.8 | 0 | 0 | 0 | 113.2 | T20 A24 D194 F195 K246 P247 V250 | T20-W22 HydrophobicContact CG2-CD2 4.45Å; T20-W22 HydrophobicContact CG2-CH2 3.99Å; T20-W22 HydrophobicContact CG2-CZ2 3.63Å; T20-W22 HydrophobicContact CG2-CZ3 4.49Å; T20-W22 PolarHBondContact O-N 2.9Å; T20-W22 VanDerWaalsContact O-N 3.13Å; T20-W22 PolarHBondContact OG1-N 3.5Å; T20-W22 PolarHBondContact OG1-NE1 3.29Å; W22-A24 VanDerWaalsContact C-N 3.31Å; W22-A24 PolarHBondContact O-N 3.5Å; W22-D194 HydrophobicContact CH2-CB 3.75Å; W22-D194 HydrophobicContact CZ3-CB 3.7Å; W22-D194 VanDerWaalsContact CZ3-CG 3.48Å; W22-D194 WeakPolarHBondContact CZ3-OD1 3.33Å; W22-F195 AromaticContact CH2-CD2 3.9Å; W22-F195 HydrophobicContact CH2-CD2 3.9Å; W22-F195 AromaticContact CH2-CE2 3.63Å; W22-F195 HydrophobicContact CH2-CE2 3.63Å; W22-F195 HydrophobicContact CZ2-CE2 4.38Å; W22-F195 HydrophobicContact CZ3-CE2 4.27Å; W22-K246 HydrophobicContact CD2-CB 4.02Å; W22-K246 HydrophobicContact CD2-CD 4.2Å; W22-K246 HydrophobicContact CD2-CG 4.1Å; W22-K246 HydrophobicContact CE3-CD 4.18Å; W22-K246 HydrophobicContact CE3-CG 4.49Å; W22-K246 HydrophobicContact CG-CB 3.96Å; W22-K246 HydrophobicContact CG-CG 4.17Å; W22-K246 HydrophobicContact CH2-CD 4.47Å; W22-K246 HydrophobicContact CZ2-CB 4.49Å; W22-K246 HydrophobicContact CZ3-CD 4.33Å; W22-P247 HydrophobicContact CZ2-CG 4.05Å; W22-P247 PolarHBondContact NE1-O 3.22Å; W22-V250 HydrophobicContact CZ2-CG2 4.22Å |
| 23 | L | 98.8 | Very high | 98.7 | Very high | 146 Ų | 146 | 54.5 Ų | 54.5 | 76% | 0.764 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 67.2 | 20.5 | 173.9 | -51 | 178 | 0 | 0 | 0 | 115.7 | T20 | T20-L23 PolarHBondContact O-N 2.62Š|
| 24 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | trans | -82.5 | 132.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V19 T20 W22 I26 P247 T248 | V19-A24 CarbonylContact C-O 3.39Å; V19-A24 WeakPolarHBondContact CA-O 3.13Å; T20-A24 HydrophobicContact CG2-CB 4.12Å; T20-A24 WeakPolarHBondContact CG2-O 3.42Å; T20-A24 PolarHBondContact N-O 3.24Å; T20-A24 WeakPolarHBondContact OG1-CB 3.48Å; T20-A24 PolarHBondContact OG1-N 3.46Å; T20-A24 PolarHBondContact OG1-O 3.47Å; W22-A24 VanDerWaalsContact C-N 3.31Å; W22-A24 PolarHBondContact O-N 3.5Å; A24-I26 PolarHBondContact O-N 3.13Å; A24-P247 WeakPolarHBondContact CB-O 2.87Å; A24-T248 VanDerWaalsContact CB-O 3.28Å; A24-T248 WeakPolarHBondContact CB-O 3.42Å | ||
| 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 | -60.4 | 138 | 172.5 | -22.9 | 33.1 | 0 | 0 | 0 | 111.7 | T248 K249 V250 | P25-T248 WeakPolarHBondContact CD-O 3.36Å; P25-K249 HydrophobicContact CB-CG 4.46Å; P25-K249 HydrophobicContact CG-CG 4.38Å; P25-K249 WeakPolarHBondContact O-CA 3.33Å; P25-V250 PolarHBondContact O-N 3.45Å |
| 26 | I | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.3 | 163.6 | -47.8 | -175 | 0 | 0 | 0 | 107.3 | L17 V18 T20 A24 W28 L164 F195 V250 | L17-I26 HydrophobicContact CB-CD1 4.1Å; L17-I26 HydrophobicContact CD2-CD1 3.74Å; L17-I26 HydrophobicContact CG-CD1 3.78Å; V18-I26 PolarHBondContact O-N 3.48Å; T20-I26 HydrophobicContact CG2-CD1 4.02Å; T20-I26 HydrophobicContact CG2-CG1 3.78Å; A24-I26 PolarHBondContact O-N 3.13Å; I26-W28 VanDerWaalsContact CG2-NE1 3.28Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.27Å; I26-L164 HydrophobicContact CG2-CD1 4.29Å; I26-F195 HydrophobicContact CD1-CE1 4.39Å; I26-F195 HydrophobicContact CD1-CZ 3.86Å; I26-V250 CarbonylContact C-O 3.52Å; I26-V250 VanDerWaalsContact CA-O 3.22Å; I26-V250 WeakPolarHBondContact CA-O 3.26Å; I26-V250 HydrophobicContact CG1-CB 4.28Å; I26-V250 HydrophobicContact CG2-CB 4.38Å; I26-V250 HydrophobicContact CG2-CG1 4.31Å |
| 27 | V | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 107 | -169.4 | -172.8 | 0 | 0 | 0 | 0 | 110 | F32 E155 K249 V250 L251 S252 Y255 | V27-F32 HydrophobicContact CG1-CD1 4.08Å; V27-F32 HydrophobicContact CG1-CE1 4.02Å; V27-E155 HydrophobicContact CG1-CB 4.34Å; V27-E155 HydrophobicContact CG1-CG 3.76Å; V27-K249 HydrophobicContact CG2-CB 4.41Å; V27-K249 HydrophobicContact CG2-CD 4.15Å; V27-V250 PolarHBondContact N-O 3.4Å; V27-L251 HydrophobicContact CB-CD2 3.9Å; V27-L251 HydrophobicContact CG2-CD2 3.74Å; V27-S252 WeakPolarHBondContact O-CB 3.35Å; V27-S252 PolarHBondContact O-N 3.31Å; V27-S252 VanDerWaalsContact O-N 3.16Å; V27-S252 PolarHBondContact O-OG 2.9Å; V27-Y255 HydrophobicContact CB-CE2 4.18Å; V27-Y255 HydrophobicContact CG1-CE2 3.77Å; V27-Y255 WeakPolarHBondContact CG1-OH 3.38Å |
| 28 | W | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -123.5 | 155 | 173.3 | -64.9 | 91.8 | 0 | 0 | 0 | 110.7 | V16 L17 I26 G30 T31 P253 E254 V267 L268 | V16-W28 HydrophobicContact CB-CD2 4.33Å; V16-W28 HydrophobicContact CB-CZ2 4.12Å; V16-W28 HydrophobicContact CG1-CD2 4.29Å; V16-W28 HydrophobicContact CG1-CE3 4.36Å; V16-W28 HydrophobicContact CG1-CH2 3.94Å; V16-W28 HydrophobicContact CG1-CZ2 3.88Å; V16-W28 HydrophobicContact CG1-CZ3 4.16Å; V16-W28 HydrophobicContact CG2-CD2 3.97Å; V16-W28 HydrophobicContact CG2-CG 3.96Å; L17-W28 PolarHBondContact O-NE1 3.19Å; L17-W28 VanDerWaalsContact O-NE1 3.1Å; I26-W28 VanDerWaalsContact CG2-NE1 3.28Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.27Å; W28-G30 PolarHBondContact O-N 3.48Å; W28-T31 HydrophobicContact CB-CG2 3.87Å; W28-T31 PolarHBondContact N-OG1 2.8Å; W28-T31 WeakPolarHBondContact O-CB 3.31Å; W28-T31 WeakPolarHBondContact O-CG2 3.23Å; W28-T31 PolarHBondContact O-N 3.21Å; W28-T31 PolarHBondContact O-OG1 3.02Å; W28-P253 VanDerWaalsContact CH2-CD 3.47Å; W28-P253 HydrophobicContact CH2-CG 4.35Å; W28-E254 HydrophobicContact CE3-CG 4.12Å; W28-E254 HydrophobicContact CZ3-CG 4.43Å; W28-V267 HydrophobicContact CH2-CG2 4.43Å; W28-V267 HydrophobicContact CZ3-CG2 4.27Å; W28-L268 HydrophobicContact CH2-CD2 4.48Å; W28-L268 HydrophobicContact CZ3-CD2 3.76Å | ||
| 29 | E | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 132.5 | 170.4 | -175.5 | 59.5 | -163.9 | 0 | 0 | 111 | R13 E254 R269 K270 R272 | R13-E29 PolarHBondContact NH1-O 3.45Å; E29-E254 WeakPolarHBondContact CB-OE1 3.45Å; E29-E254 PolarHBondContact N-OE1 3Å; E29-E254 PolarHBondContact N-OE2 2.98Å; E29-R269 HydrophobicContact CB-CB 3.92Å; E29-R269 HydrophobicContact CG-CB 4Å; E29-K270 HydrophobicContact CB-CD 4.47Å; E29-K270 HydrophobicContact CB-CG 4.46Å; E29-K270 HydrophobicContact CG-CD 4.05Å; E29-K270 HydrophobicContact CG-CG 4.2Å; E29-K270 WeakPolarHBondContact OE2-CD 3.15Å; E29-R272 IonicContact OE2-CZ 2.77Å; E29-R272 IonicContact OE2-NH1 3.5Å; E29-R272 IonicContact OE2-NH2 2.8Å; E29-R272 PolarHBondContact OE2-NH2 3.4Å |
| 30 | G | 98.4 | Very high | 98.8 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -3.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C12 W28 | C12-G30 WeakPolarHBondContact CB-O 3.48Å; W28-G30 PolarHBondContact O-N 3.48Å |
| 31 | T | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 29% | 0.288 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -90.3 | -12.6 | 178.4 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | R13 V18 W28 | R13-T31 HydrophobicContact CG-CG2 4.12Å; V18-T31 HydrophobicContact CB-CG2 4.17Å; V18-T31 HydrophobicContact CG1-CG2 3.73Å; W28-T31 HydrophobicContact CB-CG2 3.87Å; W28-T31 PolarHBondContact N-OG1 2.8Å; W28-T31 WeakPolarHBondContact O-CB 3.31Å; W28-T31 WeakPolarHBondContact O-CG2 3.23Å; W28-T31 PolarHBondContact O-N 3.21Å; W28-T31 PolarHBondContact O-OG1 3.02Å |
| 32 | F | 98.7 | Very high | 98.7 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | trans | -133.6 | 155.5 | -177 | 59.5 | -87.7 | 0 | 0 | 0 | 111.5 | V27 I34 L37 E155 | V27-F32 HydrophobicContact CG1-CD1 4.08Å; V27-F32 HydrophobicContact CG1-CE1 4.02Å; F32-I34 HydrophobicContact CD2-CB 4.17Å; F32-I34 HydrophobicContact CD2-CD1 4.43Å; F32-I34 HydrophobicContact CE2-CB 4.08Å; F32-I34 HydrophobicContact CE2-CD1 4.23Å; F32-L37 HydrophobicContact CB-CD1 3.78Å; F32-L37 HydrophobicContact CD2-CD1 4.1Å; F32-L37 HydrophobicContact CG-CD1 4.23Å; F32-E155 HydrophobicContact CD1-CB 4.1Å; F32-E155 HydrophobicContact CD1-CG 4.15Å; F32-E155 HydrophobicContact CD2-CB 3.87Å; F32-E155 HydrophobicContact CD2-CG 4.27Å; F32-E155 HydrophobicContact CE1-CB 4.27Å; F32-E155 HydrophobicContact CE1-CG 3.83Å; F32-E155 HydrophobicContact CE2-CB 4.04Å; 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 3.73Å | ||
| 33 | N | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | trans | -104.5 | 111.9 | 165.3 | -179.5 | -40.5 | 0 | 0 | 0 | 107.8 | D35 I36 L37 | N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 2.93Å; N33-D35 WeakPolarHBondContact OD1-CB 3.37Å; N33-D35 PolarHBondContact OD1-N 3.48Å; N33-I36 HydrophobicContact CB-CB 4.48Å; N33-I36 HydrophobicContact CB-CD1 3.95Å; N33-I36 HydrophobicContact CB-CG1 4.17Å; N33-I36 PolarHBondContact O-N 2.77Å; N33-I36 PolarHBondContact OD1-N 2.75Å; N33-L37 PolarHBondContact O-N 3.2Å | ||
| 34 | I | 98.7 | Very high | 98.7 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -28.6 | -172.8 | -166.7 | 53.4 | 0 | 0 | 0 | 113 | F32 L37 N38 H151 V154 E155 | F32-I34 HydrophobicContact CD2-CB 4.17Å; F32-I34 HydrophobicContact CD2-CD1 4.43Å; F32-I34 HydrophobicContact CE2-CB 4.08Å; F32-I34 HydrophobicContact CE2-CD1 4.23Å; I34-L37 PolarHBondContact O-N 3.07Å; I34-N38 WeakPolarHBondContact O-CB 3.5Å; I34-N38 PolarHBondContact O-N 3.09Å; I34-N38 PolarHBondContact O-ND2 3.09Å; I34-H151 WeakPolarHBondContact CD1-NE2 3.42Å; I34-V154 HydrophobicContact CD1-CG2 4.23Å; I34-E155 WeakPolarHBondContact CD1-OE2 3.35Å |
| 35 | D | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 178.7 | -59.7 | -38.1 | 0 | 0 | 0 | 110.6 | M1 N33 N38 E39 | M1-D35 HydrophobicContact CE-CB 3.63Å; N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 2.93Å; N33-D35 WeakPolarHBondContact OD1-CB 3.37Å; N33-D35 PolarHBondContact OD1-N 3.48Å; D35-N38 PolarHBondContact O-N 3.44Å; D35-E39 WeakPolarHBondContact O-CG 3.48Å; D35-E39 PolarHBondContact O-N 3.27Å |
| 36 | I | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.226 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 179.1 | -61.7 | 177.6 | 0 | 0 | 0 | 109.8 | M1 Y3 N33 E39 Q40 | M1-I36 HydrophobicContact CE-CG1 4.02Å; M1-I36 HydrophobicContact SD-CG1 4.32Å; Y3-I36 HydrophobicContact CD1-CD1 4.03Å; 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 4.04Å; Y3-I36 HydrophobicContact CE2-CD1 3.88Å; Y3-I36 HydrophobicContact CG-CD1 4.26Å; N33-I36 HydrophobicContact CB-CB 4.48Å; N33-I36 HydrophobicContact CB-CD1 3.95Å; N33-I36 HydrophobicContact CB-CG1 4.17Å; N33-I36 PolarHBondContact O-N 2.77Å; N33-I36 PolarHBondContact OD1-N 2.75Å; I36-E39 PolarHBondContact O-N 3.02Å; I36-Q40 WeakPolarHBondContact O-CG 3.47Å; I36-Q40 PolarHBondContact O-N 2.97Å |
| 37 | L | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 179.2 | -62.7 | 176.9 | 0 | 0 | 0 | 111.2 | F32 N33 I34 E39 Q40 F41 V154 E155 | F32-L37 HydrophobicContact CB-CD1 3.78Å; F32-L37 HydrophobicContact CD2-CD1 4.1Å; F32-L37 HydrophobicContact CG-CD1 4.23Å; N33-L37 PolarHBondContact O-N 3.2Å; I34-L37 PolarHBondContact O-N 3.07Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.41Å; L37-Q40 PolarHBondContact O-N 2.98Å; L37-F41 WeakPolarHBondContact O-CD2 3.46Å; L37-F41 PolarHBondContact O-N 3.17Å; L37-V154 HydrophobicContact CB-CG2 3.84Å; L37-E155 HydrophobicContact CD1-CB 3.61Å |
| 38 | N | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 177 | -83.1 | -25.5 | 0 | 0 | 0 | 111.9 | I34 D35 R42 H77 V154 | I34-N38 WeakPolarHBondContact O-CB 3.5Å; I34-N38 PolarHBondContact O-N 3.09Å; I34-N38 PolarHBondContact O-ND2 3.09Å; D35-N38 PolarHBondContact O-N 3.44Å; N38-R42 WeakPolarHBondContact O-CB 3.36Å; N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.44Å; N38-R42 PolarHBondContact O-N 3.4Å; N38-R42 PolarHBondContact O-NE 2.95Å; N38-R42 VanDerWaalsContact O-NE 3.16Å; N38-H77 PolarHBondContact OD1-NE2 3.1Å; N38-V154 WeakPolarHBondContact OD1-CG2 3.45Å |
| 39 | E | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.3 | -73.2 | -61.2 | 145.8 | 0 | 0 | 111.4 | M1 D35 I36 L37 F41 R42 L43 | M1-E39 HydrophobicContact CE-CG 3.97Å; M1-E39 HydrophobicContact SD-CB 4.32Å; M1-E39 HydrophobicContact SD-CG 3.85Å; D35-E39 WeakPolarHBondContact O-CG 3.48Å; D35-E39 PolarHBondContact O-N 3.27Å; I36-E39 PolarHBondContact O-N 3.02Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.41Å; E39-F41 PolarHBondContact O-N 3.47Å; E39-R42 VanDerWaalsContact CD-NH2 3.32Å; E39-R42 PolarHBondContact O-N 2.88Å; E39-R42 IonicContact OE1-CZ 2.84Å; E39-R42 VanDerWaalsContact OE1-CZ 3.3Å; E39-R42 IonicContact OE1-NH1 3.74Å; E39-R42 PolarHBondContact OE1-NH1 3.48Å; E39-R42 IonicContact OE1-NH2 2.68Å; E39-R42 PolarHBondContact OE1-NH2 2.92Å; E39-L43 WeakPolarHBondContact O-CB 3.36Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.09Å |
| 40 | Q | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | -179.2 | -73.9 | 174.5 | -19.2 | 0 | 0 | 113.5 | I36 L37 Q44 | I36-Q40 WeakPolarHBondContact O-CG 3.47Å; I36-Q40 PolarHBondContact O-N 2.97Å; L37-Q40 PolarHBondContact O-N 2.98Å; Q40-Q44 PolarHBondContact O-NE2 3.32Å |
| 41 | F | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -81.8 | -30.8 | -178.8 | -75.2 | -82.8 | 0 | 0 | 0 | 112.6 | L37 E39 Q44 N45 T46 Y138 V154 L157 | L37-F41 WeakPolarHBondContact O-CD2 3.46Å; L37-F41 PolarHBondContact O-N 3.17Å; E39-F41 PolarHBondContact O-N 3.47Å; F41-Q44 PolarHBondContact O-N 3.34Å; F41-N45 PolarHBondContact O-N 2.94Å; F41-T46 HydrophobicContact CD1-CG2 4.13Å; F41-T46 PolarHBondContact O-N 3.48Å; F41-T46 PolarHBondContact O-OG1 3.44Å; F41-T46 VanDerWaalsContact O-OG1 3.09Å; F41-Y138 HydrophobicContact CE1-CE2 4.13Å; F41-V154 HydrophobicContact CB-CB 4.22Å; F41-V154 HydrophobicContact CB-CG1 3.98Å; F41-V154 HydrophobicContact CB-CG2 4.49Å; F41-V154 HydrophobicContact CD2-CB 3.62Å; F41-V154 HydrophobicContact CD2-CG1 4.31Å; F41-V154 HydrophobicContact CD2-CG2 3.84Å; F41-V154 HydrophobicContact CE2-CB 4.13Å; F41-V154 HydrophobicContact CG-CB 3.96Å; F41-V154 HydrophobicContact CG-CG1 4.15Å; F41-V154 HydrophobicContact CG-CG2 4.44Å; F41-L157 HydrophobicContact CD1-CD1 4.02Å; F41-L157 HydrophobicContact CE1-CB 3.86Å; F41-L157 HydrophobicContact CE1-CD1 4.02Å; F41-L157 HydrophobicContact CZ-CB 3.83Å |
| 42 | R | 97.9 | Very high | 98.6 | Very high | 116 Ų | 116 | 49.4 Ų | 49.4 | 44% | 0.438 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 172.6 | -79.8 | -176.4 | -75.5 | 141.8 | -2.3 | 112.1 | N38 E39 Q44 N45 | N38-R42 WeakPolarHBondContact O-CB 3.36Å; N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.44Å; N38-R42 PolarHBondContact O-N 3.4Å; N38-R42 PolarHBondContact O-NE 2.95Å; N38-R42 VanDerWaalsContact O-NE 3.16Å; E39-R42 VanDerWaalsContact CD-NH2 3.32Å; E39-R42 PolarHBondContact O-N 2.88Å; E39-R42 IonicContact OE1-CZ 2.84Å; E39-R42 VanDerWaalsContact OE1-CZ 3.3Å; E39-R42 IonicContact OE1-NH1 3.74Å; E39-R42 PolarHBondContact OE1-NH1 3.48Å; E39-R42 IonicContact OE1-NH2 2.68Å; E39-R42 PolarHBondContact OE1-NH2 2.92Å; R42-Q44 PolarHBondContact O-N 2.91Å; R42-N45 PolarHBondContact O-N 2.62Å |
| 43 | L | 98.3 | Very high | 98.6 | Very high | 147 Ų | 147 | 47.8 Ų | 47.8 | 77% | 0.77 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.2 | -25 | 175.2 | -73.3 | 171.6 | 0 | 0 | 0 | 113.1 | E39 N45 | E39-L43 WeakPolarHBondContact O-CB 3.36Å; E39-L43 VanDerWaalsContact O-CG 3.26Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.09Å; L43-N45 VanDerWaalsContact C-N 3.34Å |
| 44 | Q | 98.2 | Very high | 98.6 | Very high | 123 Ų | 123 | 45.4 Ų | 45.4 | 58% | 0.575 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.7 | 174.9 | -68.4 | 171.9 | 66.9 | 0 | 0 | 112.9 | Q40 F41 R42 T46 | Q40-Q44 PolarHBondContact O-NE2 3.32Å; F41-Q44 PolarHBondContact O-N 3.34Å; R42-Q44 PolarHBondContact O-N 2.91Å; Q44-T46 PolarHBondContact O-N 2.91Å |
| 45 | N | 98.1 | Very high | 98.5 | Very high | 109 Ų | 109 | 43.8 Ų | 43.8 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.7 | -174.7 | -168.9 | 40.7 | 0 | 0 | 0 | 112.9 | F41 R42 L43 T47 R78 | F41-N45 PolarHBondContact O-N 2.94Å; R42-N45 PolarHBondContact O-N 2.62Å; L43-N45 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 2.98Å; N45-R78 VanDerWaalsContact OD1-CD 3.28Å; N45-R78 WeakPolarHBondContact OD1-CD 3.24Å |
| 46 | T | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | trans | -60.4 | 133.2 | -171.4 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | F41 Q44 I48 D137 Y138 L157 | F41-T46 HydrophobicContact CD1-CG2 4.13Å; F41-T46 PolarHBondContact O-N 3.48Å; F41-T46 PolarHBondContact O-OG1 3.44Å; F41-T46 VanDerWaalsContact O-OG1 3.09Å; Q44-T46 PolarHBondContact O-N 2.91Å; T46-I48 HydrophobicContact CG2-CD1 3.99Å; T46-I48 HydrophobicContact CG2-CG1 4.3Å; T46-D137 WeakPolarHBondContact CA-OD2 3.4Å; T46-D137 HydrophobicContact CG2-CB 4.28Å; T46-Y138 HydrophobicContact CG2-CD2 3.66Å; T46-Y138 HydrophobicContact CG2-CE2 3.85Å; T46-L157 HydrophobicContact CG2-CD1 4.08Å | ||
| 47 | T | 98.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.2 | 173.5 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | N45 R78 V136 D137 Y138 | N45-T47 PolarHBondContact O-N 2.98Å; T47-R78 WeakPolarHBondContact CA-O 3.39Å; T47-R78 HydrophobicContact CG2-CB 3.9Å; T47-R78 WeakPolarHBondContact OG1-CD 3.24Å; T47-R78 PolarHBondContact OG1-NE 2.55Å; T47-V136 HydrophobicContact CG2-CB 4.4Å; T47-V136 HydrophobicContact CG2-CG1 3.93Å; T47-D137 PolarHBondContact N-OD2 3.13Å; T47-D137 PolarHBondContact O-N 3.42Å; T47-Y138 PolarHBondContact O-N 2.61Å |
| 48 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.8 | -176.1 | -54.6 | 85.3 | 0 | 0 | 0 | 109.8 | T46 F73 M74 H77 R78 V79 H80 V140 L157 | T46-I48 HydrophobicContact CG2-CD1 3.99Å; T46-I48 HydrophobicContact CG2-CG1 4.3Å; I48-F73 HydrophobicContact CG2-CE1 4.21Å; I48-F73 HydrophobicContact CG2-CZ 3.82Å; I48-M74 HydrophobicContact CB-CG 4.31Å; I48-M74 HydrophobicContact CD1-CB 4.42Å; I48-M74 HydrophobicContact CD1-CG 4.32Å; I48-M74 HydrophobicContact CD1-SD 4.21Å; I48-M74 HydrophobicContact CG1-CE 4.45Å; I48-M74 HydrophobicContact CG1-CG 4.19Å; I48-M74 HydrophobicContact CG1-SD 4.08Å; I48-M74 HydrophobicContact CG2-CE 4.32Å; I48-M74 HydrophobicContact CG2-CG 4.28Å; I48-H77 HydrophobicContact CD1-CB 3.86Å; I48-R78 PolarHBondContact N-O 3.02Å; I48-V79 WeakPolarHBondContact O-CA 3.46Å; I48-H80 PolarHBondContact O-N 2.93Å; I48-V140 HydrophobicContact CG2-CG2 3.93Å; I48-L157 HydrophobicContact CD1-CD1 4.23Å; I48-L157 HydrophobicContact CG1-CD1 3.79Å; I48-L157 HydrophobicContact CG1-CD2 4.16Å; I48-L157 HydrophobicContact CG2-CD2 4.35Å |
| 49 | G | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H80 Y138 L139 V140 | G49-H80 CarbonylContact C-O 3.57Å; G49-H80 VanDerWaalsContact CA-O 3.28Å; G49-H80 WeakPolarHBondContact CA-O 3.45Å; G49-Y138 PolarHBondContact N-O 2.78Å; G49-L139 CarbonylContact O-C 3.29Å; G49-L139 WeakPolarHBondContact O-CA 3.49Å; G49-V140 PolarHBondContact O-N 2.81Å |
| 50 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 108.8 | 171.5 | -176.1 | 64.5 | 0 | 0 | 0 | 109.2 | F65 F73 H80 Y81 Y82 V140 V142 F148 | L50-F65 HydrophobicContact CD2-CE1 3.94Å; L50-F65 HydrophobicContact CD2-CZ 3.8Å; L50-F65 HydrophobicContact CG-CZ 4.33Å; L50-F73 HydrophobicContact CB-CE1 3.82Å; L50-F73 HydrophobicContact CB-CZ 4.07Å; L50-F73 HydrophobicContact CD1-CE1 4.35Å; L50-F73 HydrophobicContact CD1-CE2 4.14Å; L50-F73 HydrophobicContact CD1-CZ 3.9Å; L50-F73 HydrophobicContact CD2-CD1 3.99Å; L50-F73 HydrophobicContact CD2-CE1 3.99Å; L50-F73 HydrophobicContact CD2-CG 4.3Å; L50-F73 HydrophobicContact CD2-CZ 4.3Å; L50-F73 HydrophobicContact CG-CE1 4.28Å; L50-F73 HydrophobicContact CG-CZ 4.32Å; L50-H80 PolarHBondContact N-O 3.27Å; L50-Y81 HydrophobicContact CB-CD1 4.02Å; L50-Y81 HydrophobicContact CB-CE1 4.47Å; L50-Y81 HydrophobicContact CD2-CD1 3.81Å; L50-Y81 HydrophobicContact CD2-CE1 3.71Å; L50-Y81 HydrophobicContact CG-CD1 4.37Å; L50-Y82 PolarHBondContact O-N 3.49Å; L50-V140 WeakPolarHBondContact CA-O 3.45Å; L50-V140 HydrophobicContact CD1-CB 3.83Å; L50-V140 HydrophobicContact CD1-CG1 3.65Å; L50-V142 HydrophobicContact CD1-CG1 4.32Å; L50-V142 HydrophobicContact CD1-CG2 3.74Å; L50-V142 HydrophobicContact CG-CG2 4.43Å; L50-F148 HydrophobicContact CD2-CZ 4.36Å |
| 51 | T | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.9 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | Y82 F84 F132 L139 V140 C141 V142 | T51-Y82 WeakPolarHBondContact CA-O 3.43Å; T51-Y82 HydrophobicContact CG2-CD2 4.26Å; T51-F84 HydrophobicContact CG2-CE2 4.14Å; T51-F132 HydrophobicContact CG2-CE2 4.11Å; T51-F132 HydrophobicContact CG2-CZ 3.84Å; T51-L139 HydrophobicContact CG2-CD2 3.85Å; T51-V140 PolarHBondContact N-O 2.81Å; T51-C141 WeakPolarHBondContact OG1-CA 3.42Å; T51-C141 WeakPolarHBondContact OG1-CB 3.28Å; T51-C141 PolarHBondContact OG1-SG 2.99Å; T51-V142 PolarHBondContact O-N 3.36Å |
| 52 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.4 | 179 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | L62 F65 Y82 V83 F84 V144 | V52-L62 HydrophobicContact CG1-CD2 4.38Å; V52-F65 HydrophobicContact CB-CE1 3.98Å; V52-F65 HydrophobicContact CB-CZ 3.99Å; V52-F65 HydrophobicContact CG1-CD1 4.48Å; V52-F65 HydrophobicContact CG1-CE1 3.92Å; V52-F65 HydrophobicContact CG1-CZ 4.44Å; V52-F65 HydrophobicContact CG2-CD1 4.35Å; 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 2.8Å; V52-V83 HydrophobicContact CG1-CB 4.48Å; V52-V83 HydrophobicContact CG1-CG2 3.95Å; V52-F84 PolarHBondContact O-N 3.02Å; V52-V144 HydrophobicContact CG2-CB 3.35Å; V52-V144 HydrophobicContact CG2-CG2 3.48Å; V52-V144 VanDerWaalsContact CG2-CG2 3.48Å |
| 53 | F | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.5 | -179.1 | -74.1 | -99.8 | 0 | 0 | 0 | 110.7 | F84 R120 M123 I124 V144 | F53-F84 HydrophobicContact CD1-CB 3.35Å; F53-F84 AromaticContact CD1-CG 3.94Å; F53-F84 HydrophobicContact CD1-CG 3.94Å; F53-F84 HydrophobicContact CD2-CB 4.37Å; F53-F84 HydrophobicContact CD2-CD2 4.3Å; F53-F84 HydrophobicContact CD2-CG 4.5Å; F53-F84 HydrophobicContact CE1-CB 3.39Å; F53-F84 AromaticContact CE1-CD1 3.67Å; F53-F84 HydrophobicContact CE1-CD1 3.67Å; F53-F84 HydrophobicContact CE1-CD2 4.06Å; F53-F84 HydrophobicContact CE1-CE1 4.39Å; F53-F84 AromaticContact CE1-CG 3.45Å; F53-F84 HydrophobicContact CE1-CG 3.45Å; F53-F84 VanDerWaalsContact CE1-CG 3.45Å; F53-F84 HydrophobicContact CE2-CB 4.41Å; F53-F84 AromaticContact CE2-CD2 3.82Å; F53-F84 HydrophobicContact CE2-CD2 3.82Å; F53-F84 HydrophobicContact CE2-CE2 4.21Å; F53-F84 HydrophobicContact CE2-CG 4.09Å; F53-F84 HydrophobicContact CG-CB 3.87Å; F53-F84 HydrophobicContact CG-CG 4.43Å; F53-F84 HydrophobicContact CZ-CB 3.95Å; F53-F84 AromaticContact CZ-CD1 3.8Å; F53-F84 HydrophobicContact CZ-CD1 3.8Å; F53-F84 AromaticContact CZ-CD2 3.68Å; F53-F84 HydrophobicContact CZ-CD2 3.68Å; F53-F84 HydrophobicContact CZ-CE1 4.12Å; F53-F84 HydrophobicContact CZ-CE2 4.04Å; F53-F84 AromaticContact CZ-CG 3.54Å; F53-F84 HydrophobicContact CZ-CG 3.54Å; F53-F84 HydrophobicContact CZ-CZ 4.23Å; F53-R120 HydrophobicContact CB-CG 4.28Å; F53-R120 HydrophobicContact CD1-CG 3.85Å; F53-R120 HydrophobicContact CD2-CB 4.08Å; F53-R120 HydrophobicContact CD2-CG 3.63Å; F53-R120 HydrophobicContact CE1-CB 4.37Å; F53-R120 HydrophobicContact CE1-CG 4.07Å; F53-R120 HydrophobicContact CE2-CB 3.81Å; F53-R120 HydrophobicContact CE2-CG 3.87Å; F53-R120 HydrophobicContact CG-CB 4.47Å; F53-R120 HydrophobicContact CG-CG 3.63Å; F53-R120 HydrophobicContact CZ-CB 3.97Å; F53-R120 HydrophobicContact CZ-CG 4.08Å; F53-M123 HydrophobicContact CD1-SD 4.37Å; F53-M123 HydrophobicContact CE1-CB 3.94Å; F53-M123 HydrophobicContact CE1-CG 4.39Å; F53-M123 HydrophobicContact CE1-SD 3.56Å; F53-M123 VanDerWaalsContact CE1-SD 3.56Å; F53-M123 HydrophobicContact CZ-CB 3.88Å; F53-M123 HydrophobicContact CZ-SD 4.44Å; F53-I124 HydrophobicContact CE2-CD1 3.96Å; F53-I124 HydrophobicContact CE2-CG1 3.82Å; F53-I124 HydrophobicContact CZ-CG1 4.02Å; F53-V144 WeakPolarHBondContact O-CB 3.35Å; F53-V144 WeakPolarHBondContact O-CG1 3.41Å |
| 54 | A | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 81.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V59 L62 F84 T85 V144 | A54-V59 HydrophobicContact CB-CG1 4.25Å; A54-V59 WeakPolarHBondContact O-CG1 3.02Å; A54-L62 HydrophobicContact CB-CD1 3.52Å; A54-L62 HydrophobicContact CB-CD2 3.67Å; A54-L62 HydrophobicContact CB-CG 3.5Å; A54-F84 PolarHBondContact N-O 3.42Å; A54-T85 WeakPolarHBondContact O-CA 3.33Å; A54-T85 VanDerWaalsContact O-CB 3.3Å; A54-T85 WeakPolarHBondContact O-CB 3.32Å; A54-T85 PolarHBondContact O-OG1 2.55Å; A54-V144 HydrophobicContact CB-CG2 4.31Å |
| 55 | I | 96.9 | Very high | 98 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | trans | -105.3 | 136.4 | -173.8 | -57.1 | -67.2 | 0 | 0 | 0 | 109.8 | K57 Y58 D86 V107 A109 V116 | I55-K57 PolarHBondContact O-N 3.04Å; I55-Y58 WeakPolarHBondContact O-CB 3.34Å; I55-Y58 PolarHBondContact O-N 3.5Å; I55-D86 WeakPolarHBondContact CA-OD1 3.34Å; I55-D86 HydrophobicContact CD1-CB 4.42Å; I55-V107 HydrophobicContact CD1-CG2 3.56Å; I55-A109 HydrophobicContact CG2-CB 3.81Å; I55-V116 HydrophobicContact CB-CG1 3.81Å; I55-V116 HydrophobicContact CG1-CG1 4Å; I55-V116 HydrophobicContact CG2-CG1 3.99Å; I55-V116 HydrophobicContact CG2-CG2 4.05Å | ||
| 56 | K | 95.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 23.8 Ų | 23.8 | 19% | 0.191 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 54.7 | -126.9 | -175.9 | -57.5 | 171.4 | -171.9 | 175.4 | 0 | 111.4 | Y58 V59 D86 Q87 A109 Y110 K111 | K56-Y58 PolarHBondContact O-N 2.98Å; K56-Y58 VanDerWaalsContact O-N 3.15Å; K56-V59 WeakPolarHBondContact O-CG2 2.99Å; K56-V59 PolarHBondContact O-N 3.49Å; K56-D86 PolarHBondContact N-OD1 2.7Å; K56-D86 PolarHBondContact N-OD2 3.43Å; K56-Q87 VanDerWaalsContact C-NE2 3.34Å; K56-Q87 PolarHBondContact O-NE2 2.7Å; K56-A109 HydrophobicContact CG-CB 4.21Å; K56-Y110 WeakPolarHBondContact CE-O 3.45Å; K56-Y110 PolarHBondContact NZ-O 2.9Å; K56-K111 PolarHBondContact NZ-O 3.42Å |
| 57 | K | 95.9 | Very high | 98.1 | Very high | 71 Ų | 71 | 26.8 Ų | 26.8 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -65.5 | -15.8 | -177.3 | -65.7 | 173.5 | 177.9 | 162.6 | 0 | 113.4 | I55 V59 A60 A282 V283 E285 V287 | I55-K57 PolarHBondContact O-N 3.04Å; K57-V59 PolarHBondContact O-N 3.25Å; K57-A60 WeakPolarHBondContact O-CB 3.36Å; K57-A60 PolarHBondContact O-N 2.78Å; K57-A282 VanDerWaalsContact CD-O 3.29Å; K57-A282 WeakPolarHBondContact CD-O 3.48Å; K57-A282 PolarHBondContact NZ-O 3.32Å; K57-V283 HydrophobicContact CB-CG1 4.17Å; K57-E285 PolarHBondContact NZ-O 3.5Å; K57-V287 VanDerWaalsContact CE-CG2 3.41Å |
| 58 | Y | 96.6 | Very high | 98.1 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 15% | 0.153 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -69.4 | -11.4 | -179.9 | -75.9 | -100.1 | 0 | 0 | 0 | 113.7 | I55 K56 A60 F61 V144 D145 V283 Q284 | I55-Y58 WeakPolarHBondContact O-CB 3.34Å; I55-Y58 PolarHBondContact O-N 3.5Å; K56-Y58 PolarHBondContact O-N 2.98Å; K56-Y58 VanDerWaalsContact O-N 3.15Å; Y58-A60 PolarHBondContact O-N 2.91Å; Y58-A60 VanDerWaalsContact O-N 3.16Å; Y58-F61 AromaticContact CD1-CD2 3.78Å; Y58-F61 HydrophobicContact CD1-CD2 3.78Å; Y58-F61 AromaticContact CD1-CE2 3.69Å; Y58-F61 HydrophobicContact CD1-CE2 3.69Å; Y58-F61 HydrophobicContact CE1-CE2 4.13Å; Y58-F61 HydrophobicContact CG-CD2 4.27Å; Y58-F61 HydrophobicContact CG-CE2 4.22Å; Y58-F61 WeakPolarHBondContact O-CD2 3.24Å; Y58-F61 PolarHBondContact O-N 3.3Å; Y58-F61 VanDerWaalsContact O-N 3.13Å; Y58-V144 HydrophobicContact CD1-CG1 3.75Å; Y58-V144 HydrophobicContact CG-CG1 4.32Å; Y58-D145 HydrophobicContact CD1-CB 4.35Å; Y58-D145 HydrophobicContact CE1-CB 4.22Å; Y58-V283 HydrophobicContact CD1-CG1 4.44Å; Y58-V283 HydrophobicContact CD2-CG1 3.82Å; Y58-V283 HydrophobicContact CE1-CG1 4.23Å; Y58-V283 HydrophobicContact CE2-CG1 3.56Å; Y58-V283 HydrophobicContact CG-CG1 4.26Å; Y58-Q284 HydrophobicContact CE2-CG 4.48Å |
| 59 | V | 97.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -56.9 | -25.5 | 168.5 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | A54 K56 K57 F61 L62 Q87 A90 | A54-V59 HydrophobicContact CB-CG1 4.25Å; A54-V59 WeakPolarHBondContact O-CG1 3.02Å; K56-V59 WeakPolarHBondContact O-CG2 2.99Å; K56-V59 PolarHBondContact O-N 3.49Å; K57-V59 PolarHBondContact O-N 3.25Å; V59-F61 PolarHBondContact O-N 3.38Å; V59-L62 HydrophobicContact CB-CD1 4.41Å; V59-L62 WeakPolarHBondContact O-CB 3.03Å; V59-L62 PolarHBondContact O-N 2.69Å; V59-Q87 HydrophobicContact CG1-CB 4.3Å; V59-A90 HydrophobicContact CB-CB 3.96Å; V59-A90 HydrophobicContact CG1-CB 4.07Å; V59-A90 HydrophobicContact CG2-CB 3.91Å |
| 60 | A | 97.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 28.3 Ų | 28.3 | 67% | 0.669 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -61.6 | -25.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K57 Y58 | K57-A60 WeakPolarHBondContact O-CB 3.36Å; K57-A60 PolarHBondContact O-N 2.78Å; Y58-A60 PolarHBondContact O-N 2.91Å; Y58-A60 VanDerWaalsContact O-N 3.16Å |
| 61 | F | 98.2 | Very high | 98.1 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -84.9 | -18.9 | -178.7 | -59.2 | -72.4 | 0 | 0 | 0 | 113.5 | Y58 V59 K63 L64 F65 V144 D145 V276 K278 V283 | Y58-F61 AromaticContact CD1-CD2 3.78Å; Y58-F61 HydrophobicContact CD1-CD2 3.78Å; Y58-F61 AromaticContact CD1-CE2 3.69Å; Y58-F61 HydrophobicContact CD1-CE2 3.69Å; Y58-F61 HydrophobicContact CE1-CE2 4.13Å; Y58-F61 HydrophobicContact CG-CD2 4.27Å; Y58-F61 HydrophobicContact CG-CE2 4.22Å; Y58-F61 WeakPolarHBondContact O-CD2 3.24Å; Y58-F61 PolarHBondContact O-N 3.3Å; Y58-F61 VanDerWaalsContact O-N 3.13Å; V59-F61 PolarHBondContact O-N 3.38Å; F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.1Å; F61-L64 PolarHBondContact O-N 3.44Å; F61-F65 WeakPolarHBondContact O-CB 3.34Å; F61-F65 PolarHBondContact O-N 2.9Å; F61-V144 HydrophobicContact CB-CG1 4.28Å; F61-V144 HydrophobicContact CB-CG2 4.06Å; F61-V144 WeakPolarHBondContact CB-O 3.32Å; F61-V144 HydrophobicContact CD2-CG1 4.28Å; F61-D145 HydrophobicContact CD1-CB 4.16Å; F61-D145 HydrophobicContact CD2-CB 3.9Å; F61-D145 HydrophobicContact CE1-CB 4.16Å; F61-D145 HydrophobicContact CE2-CB 3.92Å; F61-D145 HydrophobicContact CG-CB 4.04Å; F61-D145 HydrophobicContact CZ-CB 4.05Å; F61-V276 HydrophobicContact CD1-CB 4.34Å; F61-V276 HydrophobicContact CD1-CG1 4.15Å; F61-V276 HydrophobicContact CE1-CB 4.37Å; F61-V276 HydrophobicContact CE1-CG1 4.05Å; F61-K278 HydrophobicContact CE1-CB 4.43Å; F61-K278 HydrophobicContact CZ-CB 4.02Å; F61-K278 HydrophobicContact CZ-CD 4.35Å; F61-V283 HydrophobicContact CE2-CG1 3.94Å; F61-V283 HydrophobicContact CZ-CG1 4.38Å |
| 62 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -38.6 | -171.7 | -79.3 | 173 | 0 | 0 | 0 | 113.5 | V52 A54 V59 F65 L66 V83 V91 P92 V144 | V52-L62 HydrophobicContact CG1-CD2 4.38Å; A54-L62 HydrophobicContact CB-CD1 3.52Å; A54-L62 HydrophobicContact CB-CD2 3.67Å; A54-L62 HydrophobicContact CB-CG 3.5Å; V59-L62 HydrophobicContact CB-CD1 4.41Å; V59-L62 WeakPolarHBondContact O-CB 3.03Å; V59-L62 PolarHBondContact O-N 2.69Å; L62-F65 PolarHBondContact O-N 2.98Å; L62-L66 VanDerWaalsContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.12Å; L62-V83 HydrophobicContact CD1-CG1 3.92Å; L62-V83 HydrophobicContact CD2-CG1 3.76Å; L62-V83 HydrophobicContact CD2-CG2 4.29Å; L62-V91 HydrophobicContact CD1-CG1 4.43Å; L62-V91 HydrophobicContact CD1-CG2 4.15Å; L62-P92 HydrophobicContact CB-CG 3.84Å; L62-V144 HydrophobicContact CD2-CG2 3.8Å; L62-V144 HydrophobicContact CG-CG2 4.22Å |
| 63 | K | 98.6 | Very high | 98.1 | Very high | 110 Ų | 110 | 37.5 Ų | 37.5 | 48% | 0.478 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.7 | -52.3 | -175.4 | -175.1 | 177.5 | -180 | -64.9 | 0 | 110.6 | F61 E67 P92 | F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.1Å; K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.44Å; K63-E67 HydrophobicContact CG-CG 4.45Å; K63-E67 IonicContact NZ-OE1 3.53Å; K63-E67 PolarHBondContact NZ-OE1 3.09Å; K63-E67 IonicContact NZ-OE2 3.48Å; K63-E67 PolarHBondContact NZ-OE2 2.92Å; K63-E67 VanDerWaalsContact O-CB 3.27Å; K63-E67 WeakPolarHBondContact O-CB 3.23Å; K63-E67 WeakPolarHBondContact O-CG 3.3Å; K63-E67 PolarHBondContact O-N 3.1Å; K63-P92 HydrophobicContact CB-CB 4.15Å; K63-P92 HydrophobicContact CB-CG 4Å; K63-P92 HydrophobicContact CG-CB 4.44Å |
| 64 | L | 98.7 | Very high | 98.1 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 34% | 0.335 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64 | -44 | 178.5 | -180 | 62.5 | 0 | 0 | 0 | 111.2 | F61 L66 T68 E147 V276 | F61-L64 PolarHBondContact O-N 3.44Å; L64-L66 PolarHBondContact O-N 3.16Å; L64-T68 HydrophobicContact CD1-CG2 3.88Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.45Å; L64-E147 HydrophobicContact CD2-CB 4.03Å; L64-E147 HydrophobicContact CG-CB 3.97Å; L64-V276 HydrophobicContact CD2-CG2 3.8Å |
| 65 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -53 | 178 | 176.7 | -88.4 | 0 | 0 | 0 | 111.8 | L50 V52 F61 L62 T68 A69 V142 V144 F148 F273 | L50-F65 HydrophobicContact CD2-CE1 3.94Å; L50-F65 HydrophobicContact CD2-CZ 3.8Å; L50-F65 HydrophobicContact CG-CZ 4.33Å; V52-F65 HydrophobicContact CB-CE1 3.98Å; V52-F65 HydrophobicContact CB-CZ 3.99Å; V52-F65 HydrophobicContact CG1-CD1 4.48Å; V52-F65 HydrophobicContact CG1-CE1 3.92Å; V52-F65 HydrophobicContact CG1-CZ 4.44Å; V52-F65 HydrophobicContact CG2-CD1 4.35Å; 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 3.34Å; F61-F65 PolarHBondContact O-N 2.9Å; L62-F65 PolarHBondContact O-N 2.98Å; F65-T68 PolarHBondContact O-OG1 2.94Å; F65-T68 VanDerWaalsContact O-OG1 3.11Å; F65-A69 VanDerWaalsContact O-CB 3.27Å; F65-A69 WeakPolarHBondContact O-CB 3.27Å; F65-A69 PolarHBondContact O-N 2.76Å; F65-V142 HydrophobicContact CE2-CG2 3.62Å; F65-V142 HydrophobicContact CZ-CG2 3.49Å; F65-V142 VanDerWaalsContact CZ-CG2 3.49Å; F65-V144 HydrophobicContact CB-CG2 4.43Å; F65-V144 HydrophobicContact CG-CG2 4.4Å; F65-F148 HydrophobicContact CD2-CE2 4.24Å; F65-F148 AromaticContact CE2-CE2 3.83Å; F65-F148 HydrophobicContact CE2-CE2 3.83Å; F65-F148 HydrophobicContact CE2-CZ 4.38Å; F65-F148 HydrophobicContact CZ-CE2 4.03Å; F65-F148 HydrophobicContact CZ-CZ 4.45Å; F65-F273 HydrophobicContact CD2-CE2 4.25Å; F65-F273 AromaticContact CE2-CE2 3.92Å; F65-F273 HydrophobicContact CE2-CE2 3.92Å; F65-F273 AromaticContact CE2-CZ 3.96Å; F65-F273 HydrophobicContact CE2-CZ 3.96Å |
| 66 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -42 | -177.5 | -69.1 | 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 3.29Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.12Å; L64-L66 PolarHBondContact O-N 3.16Å; L66-T68 VanDerWaalsContact C-N 3.29Å; L66-T68 PolarHBondContact O-N 3.48Å; L66-A69 PolarHBondContact O-N 3.38Å; L66-E70 PolarHBondContact O-N 3.41Å; L66-Y81 HydrophobicContact CD2-CD1 4.01Å; L66-Y81 HydrophobicContact CD2-CE1 4.35Å; L66-Y81 HydrophobicContact CD2-CG 4.2Å; L66-P92 HydrophobicContact CD1-CG 4.3Å; L66-V94 HydrophobicContact CB-CB 4.31Å; L66-V94 HydrophobicContact CB-CG1 4.21Å; 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 3.89Å; L66-L102 HydrophobicContact CG-CD1 4.48Å |
| 67 | E | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -35 | 178.7 | -75.8 | 176 | 165.5 | 0 | 0 | 112.4 | K63 V94 | K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.44Å; K63-E67 HydrophobicContact CG-CG 4.45Å; K63-E67 IonicContact NZ-OE1 3.53Å; K63-E67 PolarHBondContact NZ-OE1 3.09Å; K63-E67 IonicContact NZ-OE2 3.48Å; K63-E67 PolarHBondContact NZ-OE2 2.92Å; K63-E67 VanDerWaalsContact O-CB 3.27Å; K63-E67 WeakPolarHBondContact O-CB 3.23Å; K63-E67 WeakPolarHBondContact O-CG 3.3Å; K63-E67 PolarHBondContact O-N 3.1Å; E67-V94 HydrophobicContact CG-CG1 3.93Å; E67-V94 HydrophobicContact CG-CG2 4.4Å |
| 68 | T | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.7 | -34.6 | 175.8 | 56 | 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 3.39Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.45Å; F65-T68 PolarHBondContact O-OG1 2.94Å; F65-T68 VanDerWaalsContact O-OG1 3.11Å; L66-T68 VanDerWaalsContact C-N 3.29Å; L66-T68 PolarHBondContact O-N 3.48Å; T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 2.84Å; T68-K71 PolarHBondContact O-N 3.35Å; T68-K71 VanDerWaalsContact O-N 3.08Å; T68-H72 PolarHBondContact O-CD2 3.44Å; T68-H72 PolarHBondContact O-N 3.3Å; T68-E147 HydrophobicContact CG2-CB 4.29Å; T68-F148 VanDerWaalsContact CB-O 3.24Å; T68-F148 WeakPolarHBondContact CB-O 3.3Å; T68-F148 WeakPolarHBondContact CG2-O 3.47Å; T68-F148 PolarHBondContact OG1-N 3.13Å |
| 69 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F65 L66 K71 H72 F73 Y81 F148 | F65-A69 VanDerWaalsContact O-CB 3.27Å; F65-A69 WeakPolarHBondContact O-CB 3.27Å; F65-A69 PolarHBondContact O-N 2.76Å; L66-A69 PolarHBondContact O-N 3.38Å; A69-K71 PolarHBondContact O-N 3.06Å; A69-H72 PolarHBondContact O-N 3.23Å; A69-F73 HydrophobicContact CB-CB 4.11Å; A69-F73 WeakPolarHBondContact O-CA 3.46Å; A69-F73 VanDerWaalsContact O-CB 3.27Å; A69-F73 WeakPolarHBondContact O-CB 3.39Å; A69-F73 PolarHBondContact O-N 2.94Å; 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 | 98.7 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -29.2 | 175.5 | -78.6 | -59.4 | 110.1 | 0 | 0 | 113.7 | L66 T68 Y81 L96 G97 R100 | L66-E70 PolarHBondContact O-N 3.41Å; T68-E70 VanDerWaalsContact C-N 3.3Å; T68-E70 PolarHBondContact O-N 2.84Å; E70-Y81 WeakPolarHBondContact OE1-CE2 3.33Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.25Å; E70-Y81 PolarHBondContact OE1-OH 2.77Å; E70-L96 HydrophobicContact CG-CD2 4.07Å; E70-L96 WeakPolarHBondContact OE2-CA 3.2Å; E70-G97 PolarHBondContact OE2-N 3.07Å; E70-R100 WeakPolarHBondContact OE1-CD 3.29Å; E70-R100 IonicContact OE1-CZ 3.73Å; E70-R100 IonicContact OE1-NE 2.93Å; E70-R100 PolarHBondContact OE1-NE 2.88Å; E70-R100 IonicContact OE1-NH2 3.61Å; E70-R100 WeakPolarHBondContact OE2-CD 3.47Å; E70-R100 IonicContact OE2-NE 3.98Å |
| 71 | K | 98.8 | Very high | 98.7 | Very high | 147 Ų | 147 | 37.2 Ų | 37.2 | 64% | 0.639 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -84.7 | -26.6 | -179.6 | -65.1 | 175.1 | -174.3 | 175.7 | 0 | 113.4 | T68 A69 V75 | T68-K71 PolarHBondContact O-N 3.35Å; T68-K71 VanDerWaalsContact O-N 3.08Å; A69-K71 PolarHBondContact O-N 3.06Å; K71-V75 WeakPolarHBondContact O-CG2 3.15Å |
| 72 | H | 98.9 | Very high | 98.8 | Very high | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -133.6 | -23.5 | -160.9 | -65.4 | -56.6 | 0 | 0 | 0 | 115 | T68 A69 F148 D150 V152 | T68-H72 PolarHBondContact O-CD2 3.44Å; T68-H72 PolarHBondContact O-N 3.3Å; A69-H72 PolarHBondContact O-N 3.23Å; H72-F148 HydrophobicContact CB-CB 3.71Å; H72-F148 HydrophobicContact CB-CG 4.47Å; H72-F148 PolarHBondContact CD2-O 2.97Å; H72-F148 VanDerWaalsContact CD2-O 3.29Å; H72-D150 WeakPolarHBondContact CB-O 3.35Å; H72-V152 PolarHBondContact O-N 3.24Å; H72-V152 VanDerWaalsContact O-O 3.13Å |
| 73 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -93.9 | 113 | -174.4 | -178.1 | -103.4 | 0 | 0 | 0 | 111.3 | I48 L50 A69 V75 V79 R100 V140 F148 V152 | I48-F73 HydrophobicContact CG2-CE1 4.21Å; I48-F73 HydrophobicContact CG2-CZ 3.82Å; L50-F73 HydrophobicContact CB-CE1 3.82Å; L50-F73 HydrophobicContact CB-CZ 4.07Å; L50-F73 HydrophobicContact CD1-CE1 4.35Å; L50-F73 HydrophobicContact CD1-CE2 4.14Å; L50-F73 HydrophobicContact CD1-CZ 3.9Å; L50-F73 HydrophobicContact CD2-CD1 3.99Å; L50-F73 HydrophobicContact CD2-CE1 3.99Å; L50-F73 HydrophobicContact CD2-CG 4.3Å; L50-F73 HydrophobicContact CD2-CZ 4.3Å; L50-F73 HydrophobicContact CG-CE1 4.28Å; L50-F73 HydrophobicContact CG-CZ 4.32Å; A69-F73 HydrophobicContact CB-CB 4.11Å; A69-F73 WeakPolarHBondContact O-CA 3.46Å; A69-F73 VanDerWaalsContact O-CB 3.27Å; A69-F73 WeakPolarHBondContact O-CB 3.39Å; A69-F73 PolarHBondContact O-N 2.94Å; F73-V75 PolarHBondContact O-N 3.12Å; F73-V75 VanDerWaalsContact O-N 3.09Å; F73-V79 HydrophobicContact CD1-CG1 4.18Å; F73-V79 HydrophobicContact CD1-CG2 4.28Å; F73-V79 HydrophobicContact CE1-CG1 4.01Å; F73-V79 HydrophobicContact CE1-CG2 4.18Å; F73-R100 PolarHBondContact O-NH1 2.92Å; F73-R100 PolarHBondContact O-NH2 3.46Å; F73-V140 HydrophobicContact CE2-CB 4.38Å; F73-V140 HydrophobicContact CE2-CG1 4.2Å; F73-V140 HydrophobicContact CE2-CG2 4.29Å; F73-V140 HydrophobicContact CZ-CB 4.14Å; F73-V140 HydrophobicContact CZ-CG1 4.43Å; F73-V140 HydrophobicContact CZ-CG2 4.07Å; F73-F148 HydrophobicContact CB-CD1 4.45Å; F73-F148 HydrophobicContact CB-CE1 4.17Å; F73-F148 HydrophobicContact CB-CZ 4.35Å; F73-F148 AromaticContact CD2-CE1 3.96Å; F73-F148 HydrophobicContact CD2-CE1 3.96Å; F73-F148 HydrophobicContact CD2-CZ 4.22Å; F73-F148 HydrophobicContact CG-CE1 4.42Å; F73-F148 HydrophobicContact CG-CZ 4.47Å; F73-V152 WeakPolarHBondContact CA-O 3.43Å; F73-V152 HydrophobicContact CD2-CB 4.35Å; F73-V152 HydrophobicContact CD2-CG1 3.97Å; F73-V152 HydrophobicContact CE2-CG1 4.32Å |
| 74 | M | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 52 | 37.4 | 171.5 | -57.3 | -68.7 | 174.8 | 0 | 0 | 113 | I48 G76 H77 V79 R100 V152 G153 V154 I156 L157 | I48-M74 HydrophobicContact CB-CG 4.31Å; I48-M74 HydrophobicContact CD1-CB 4.42Å; I48-M74 HydrophobicContact CD1-CG 4.32Å; I48-M74 HydrophobicContact CD1-SD 4.21Å; I48-M74 HydrophobicContact CG1-CE 4.45Å; I48-M74 HydrophobicContact CG1-CG 4.19Å; I48-M74 HydrophobicContact CG1-SD 4.08Å; I48-M74 HydrophobicContact CG2-CE 4.32Å; I48-M74 HydrophobicContact CG2-CG 4.28Å; M74-G76 PolarHBondContact O-N 3.02Å; M74-H77 HydrophobicContact CB-CB 4.39Å; M74-H77 PolarHBondContact O-N 3.07Å; M74-V79 HydrophobicContact CB-CG2 3.65Å; M74-V79 HydrophobicContact CG-CG2 4.45Å; M74-R100 PolarHBondContact O-NH1 3.3Å; M74-V152 PolarHBondContact N-O 3Å; M74-G153 VanDerWaalsContact CE-C 3.49Å; M74-G153 WeakPolarHBondContact CE-O 3.4Å; M74-V154 HydrophobicContact SD-CG1 3.91Å; M74-I156 HydrophobicContact CE-CD1 3.55Å; M74-I156 HydrophobicContact CE-CG1 3.66Å; M74-L157 HydrophobicContact CE-CD1 4.42Å; M74-L157 HydrophobicContact CE-CD2 3.7Å; M74-L157 HydrophobicContact CE-CG 3.98Å; M74-L157 HydrophobicContact SD-CD1 4.46Å |
| 75 | V | 98.6 | Very high | 98.8 | Very high | 82 Ų | 82 | 27.8 Ų | 27.8 | 50% | 0.497 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 132.2 | -178.9 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | K71 F73 H77 | K71-V75 WeakPolarHBondContact O-CG2 3.15Å; F73-V75 PolarHBondContact O-N 3.12Å; F73-V75 VanDerWaalsContact O-N 3.09Å; V75-H77 VanDerWaalsContact C-N 3.34Å |
| 76 | G | 97.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 29.8 Ų | 29.8 | 67% | 0.67 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -1.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | M74 | M74-G76 PolarHBondContact O-N 3.02Š|
| 77 | H | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -114.7 | 164.9 | 174.1 | -61.1 | -92.1 | 0 | 0 | 0 | 111.3 | N38 I48 M74 V75 V154 | N38-H77 PolarHBondContact OD1-NE2 3.1Å; I48-H77 HydrophobicContact CD1-CB 3.86Å; M74-H77 HydrophobicContact CB-CB 4.39Å; M74-H77 PolarHBondContact O-N 3.07Å; V75-H77 VanDerWaalsContact C-N 3.34Å; H77-V154 VanDerWaalsContact CE1-CG1 3.44Å; H77-V154 WeakPolarHBondContact CE1-CG1 3.2Å; H77-V154 WeakPolarHBondContact NE2-CG1 3.28Å |
| 78 | R | 98.9 | Very high | 98.5 | Very high | 108 Ų | 108 | 34 Ų | 34 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.3 | 177.8 | -60.6 | 172.1 | 57.9 | 76.5 | 3.5 | 109.4 | N45 T47 I48 G99 | N45-R78 VanDerWaalsContact OD1-CD 3.28Å; N45-R78 WeakPolarHBondContact OD1-CD 3.24Å; T47-R78 WeakPolarHBondContact CA-O 3.39Å; T47-R78 HydrophobicContact CG2-CB 3.9Å; T47-R78 WeakPolarHBondContact OG1-CD 3.24Å; T47-R78 PolarHBondContact OG1-NE 2.55Å; I48-R78 PolarHBondContact N-O 3.02Å; R78-G99 WeakPolarHBondContact CA-O 3.46Å |
| 79 | V | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.9 | -178.3 | 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 4.28Å; 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 4.24Å; V79-Y81 HydrophobicContact CG1-CD2 4.16Å; V79-Y81 HydrophobicContact CG1-CE1 3.97Å; V79-Y81 HydrophobicContact CG1-CE2 3.9Å; V79-Y81 HydrophobicContact CG1-CG 4.35Å; V79-G99 PolarHBondContact N-O 3.42Å; V79-R100 HydrophobicContact CB-CB 4.48Å; V79-R100 HydrophobicContact CB-CG 4.27Å; V79-R100 CarbonylContact O-C 3.43Å; V79-R100 VanDerWaalsContact O-CA 3.27Å; V79-R100 WeakPolarHBondContact O-CA 3.5Å; V79-Q101 PolarHBondContact O-N 3.26Å |
| 80 | H | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.4 | 170.7 | -159.2 | 153.2 | 0 | 0 | 0 | 109.6 | I48 G49 L50 Y82 Q101 S103 E135 V136 | I48-H80 PolarHBondContact O-N 2.93Å; G49-H80 CarbonylContact C-O 3.57Å; G49-H80 VanDerWaalsContact CA-O 3.28Å; G49-H80 WeakPolarHBondContact CA-O 3.45Å; L50-H80 PolarHBondContact N-O 3.27Å; H80-Y82 HydrophobicContact CB-CE2 3.97Å; H80-Y82 AromaticContact CD2-CE1 3.57Å; H80-Y82 AromaticContact CD2-CZ 3.68Å; H80-Y82 AromaticContact CE1-CE1 3.6Å; H80-Y82 AromaticContact CE1-CZ 3.79Å; H80-Y82 AromaticContact CG-CE1 3.87Å; H80-Y82 AromaticContact CG-CE2 3.97Å; H80-Y82 AromaticContact CG-CZ 3.5Å; H80-Y82 AromaticContact ND1-CE1 3.94Å; H80-Y82 AromaticContact ND1-CZ 3.63Å; H80-Y82 PolarHBondContact ND1-OH 3.38Å; H80-Y82 AromaticContact NE2-CD1 3.99Å; H80-Y82 AromaticContact NE2-CE1 3.4Å; H80-Y82 WeakPolarHBondContact NE2-CE1 3.49Å; H80-Y82 AromaticContact NE2-CZ 3.85Å; H80-Y82 WeakPolarHBondContact O-CD2 3.39Å; H80-Q101 CarbonylContact C-O 3.54Å; H80-Q101 WeakPolarHBondContact CA-O 3.43Å; H80-Q101 HydrophobicContact CB-CG 4.21Å; H80-Q101 PolarHBondContact CE1-NE2 3.42Å; H80-Q101 PolarHBondContact ND1-NE2 3.31Å; H80-S103 PolarHBondContact NE2-OG 2.74Å; H80-E135 IonicContact CE1-OE2 2.75Å; H80-E135 PolarHBondContact CE1-OE2 3.44Å; H80-E135 VanDerWaalsContact CE1-OE2 3.26Å; H80-E135 IonicContact ND1-OE2 3.93Å; H80-V136 HydrophobicContact CB-CG1 3.94Å |
| 81 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.5 | 173.1 | -58.8 | -78.7 | 0 | 0 | 0 | 110.7 | L50 L66 A69 E70 V79 L96 R100 Q101 L102 S103 | L50-Y81 HydrophobicContact CB-CD1 4.02Å; L50-Y81 HydrophobicContact CB-CE1 4.47Å; L50-Y81 HydrophobicContact CD2-CD1 3.81Å; L50-Y81 HydrophobicContact CD2-CE1 3.71Å; L50-Y81 HydrophobicContact CG-CD1 4.37Å; L66-Y81 HydrophobicContact CD2-CD1 4.01Å; L66-Y81 HydrophobicContact CD2-CE1 4.35Å; L66-Y81 HydrophobicContact CD2-CG 4.2Å; A69-Y81 HydrophobicContact CB-CE1 3.92Å; E70-Y81 WeakPolarHBondContact OE1-CE2 3.33Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.25Å; E70-Y81 PolarHBondContact OE1-OH 2.77Å; V79-Y81 HydrophobicContact CG1-CD1 4.24Å; V79-Y81 HydrophobicContact CG1-CD2 4.16Å; V79-Y81 HydrophobicContact CG1-CE1 3.97Å; V79-Y81 HydrophobicContact CG1-CE2 3.9Å; V79-Y81 HydrophobicContact CG1-CG 4.35Å; Y81-L96 HydrophobicContact CD2-CD1 4.49Å; Y81-L96 HydrophobicContact CD2-CD2 4.34Å; Y81-L96 HydrophobicContact CE2-CD2 3.98Å; Y81-R100 PolarHBondContact OH-NH2 3.14Å; Y81-Q101 WeakPolarHBondContact CD2-O 3.16Å; Y81-Q101 PolarHBondContact N-O 3.45Å; Y81-L102 HydrophobicContact CD2-CB 4.4Å; Y81-L102 CarbonylContact O-C 3.55Å; Y81-L102 WeakPolarHBondContact O-CA 3.33Å; Y81-S103 PolarHBondContact O-N 2.81Å |
| 82 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 100.9 | 173.9 | -59.8 | -75.7 | 0 | 0 | 0 | 109.2 | L50 T51 V52 H80 L105 F132 E135 V136 L139 | L50-Y82 PolarHBondContact O-N 3.49Å; T51-Y82 WeakPolarHBondContact CA-O 3.43Å; T51-Y82 HydrophobicContact CG2-CD2 4.26Å; V52-Y82 PolarHBondContact N-O 2.8Å; H80-Y82 HydrophobicContact CB-CE2 3.97Å; H80-Y82 AromaticContact CD2-CE1 3.57Å; H80-Y82 AromaticContact CD2-CZ 3.68Å; H80-Y82 AromaticContact CE1-CE1 3.6Å; H80-Y82 AromaticContact CE1-CZ 3.79Å; H80-Y82 AromaticContact CG-CE1 3.87Å; H80-Y82 AromaticContact CG-CE2 3.97Å; H80-Y82 AromaticContact CG-CZ 3.5Å; H80-Y82 AromaticContact ND1-CE1 3.94Å; H80-Y82 AromaticContact ND1-CZ 3.63Å; H80-Y82 PolarHBondContact ND1-OH 3.38Å; H80-Y82 AromaticContact NE2-CD1 3.99Å; H80-Y82 AromaticContact NE2-CE1 3.4Å; H80-Y82 WeakPolarHBondContact NE2-CE1 3.49Å; H80-Y82 AromaticContact NE2-CZ 3.85Å; H80-Y82 WeakPolarHBondContact O-CD2 3.39Å; Y82-L105 HydrophobicContact CD1-CD1 4.06Å; Y82-L105 HydrophobicContact CG-CD1 4.43Å; Y82-F132 HydrophobicContact CD1-CD1 4.31Å; Y82-F132 AromaticContact CD1-CE1 3.6Å; Y82-F132 HydrophobicContact CD1-CE1 3.6Å; Y82-F132 HydrophobicContact CD2-CD1 4.06Å; Y82-F132 AromaticContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CZ 4.28Å; Y82-F132 AromaticContact CE1-CD1 3.92Å; Y82-F132 HydrophobicContact CE1-CD1 3.92Å; Y82-F132 AromaticContact CE1-CE1 3.66Å; Y82-F132 HydrophobicContact CE1-CE1 3.66Å; 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 4.35Å; Y82-F132 AromaticContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CZ 4.19Å; Y82-F132 AromaticContact CZ-CD1 3.55Å; Y82-F132 AromaticContact CZ-CE1 3.68Å; Y82-E135 WeakPolarHBondContact CE1-OE2 3.46Å; Y82-E135 VanDerWaalsContact CZ-OE2 3.28Å; Y82-E135 VanDerWaalsContact OH-CB 3.27Å; Y82-E135 WeakPolarHBondContact OH-CB 3.32Å; Y82-E135 PolarHBondContact OH-OE2 3Å; Y82-V136 HydrophobicContact CE2-CG1 4.11Å; Y82-L139 HydrophobicContact CE2-CD2 4.48Å |
| 83 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.1 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | V52 L62 V91 L102 S103 V104 L105 | V52-V83 HydrophobicContact CG1-CB 4.48Å; V52-V83 HydrophobicContact CG1-CG2 3.95Å; L62-V83 HydrophobicContact CD1-CG1 3.92Å; L62-V83 HydrophobicContact CD2-CG1 3.76Å; L62-V83 HydrophobicContact CD2-CG2 4.29Å; V83-V91 HydrophobicContact CG1-CG1 4.42Å; V83-V91 HydrophobicContact CG1-CG2 4.06Å; V83-L102 HydrophobicContact CG2-CD1 3.93Å; V83-L102 HydrophobicContact CG2-CD2 4.25Å; V83-L102 HydrophobicContact CG2-CG 4.12Å; V83-S103 PolarHBondContact N-O 3.22Å; V83-V104 WeakPolarHBondContact O-CA 3.31Å; V83-L105 PolarHBondContact O-N 3.48Å |
| 84 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.9 | 173.1 | -69.3 | -97.7 | 0 | 0 | 0 | 109.7 | T51 V52 F53 A54 L105 V107 M123 F127 F132 | T51-F84 HydrophobicContact CG2-CE2 4.14Å; V52-F84 PolarHBondContact O-N 3.02Å; F53-F84 HydrophobicContact CD1-CB 3.35Å; F53-F84 AromaticContact CD1-CG 3.94Å; F53-F84 HydrophobicContact CD1-CG 3.94Å; F53-F84 HydrophobicContact CD2-CB 4.37Å; F53-F84 HydrophobicContact CD2-CD2 4.3Å; F53-F84 HydrophobicContact CD2-CG 4.5Å; F53-F84 HydrophobicContact CE1-CB 3.39Å; F53-F84 AromaticContact CE1-CD1 3.67Å; F53-F84 HydrophobicContact CE1-CD1 3.67Å; F53-F84 HydrophobicContact CE1-CD2 4.06Å; F53-F84 HydrophobicContact CE1-CE1 4.39Å; F53-F84 AromaticContact CE1-CG 3.45Å; F53-F84 HydrophobicContact CE1-CG 3.45Å; F53-F84 VanDerWaalsContact CE1-CG 3.45Å; F53-F84 HydrophobicContact CE2-CB 4.41Å; F53-F84 AromaticContact CE2-CD2 3.82Å; F53-F84 HydrophobicContact CE2-CD2 3.82Å; F53-F84 HydrophobicContact CE2-CE2 4.21Å; F53-F84 HydrophobicContact CE2-CG 4.09Å; F53-F84 HydrophobicContact CG-CB 3.87Å; F53-F84 HydrophobicContact CG-CG 4.43Å; F53-F84 HydrophobicContact CZ-CB 3.95Å; F53-F84 AromaticContact CZ-CD1 3.8Å; F53-F84 HydrophobicContact CZ-CD1 3.8Å; F53-F84 AromaticContact CZ-CD2 3.68Å; F53-F84 HydrophobicContact CZ-CD2 3.68Å; F53-F84 HydrophobicContact CZ-CE1 4.12Å; F53-F84 HydrophobicContact CZ-CE2 4.04Å; F53-F84 AromaticContact CZ-CG 3.54Å; F53-F84 HydrophobicContact CZ-CG 3.54Å; F53-F84 HydrophobicContact CZ-CZ 4.23Å; A54-F84 PolarHBondContact N-O 3.42Å; F84-L105 WeakPolarHBondContact CA-O 3.38Å; F84-L105 HydrophobicContact CD1-CB 3.95Å; F84-L105 HydrophobicContact CD1-CD1 4.15Å; F84-L105 HydrophobicContact CD2-CD1 4.27Å; F84-L105 HydrophobicContact CE1-CB 4.17Å; F84-L105 HydrophobicContact CE1-CD1 3.65Å; F84-L105 HydrophobicContact CE2-CD1 3.76Å; F84-L105 HydrophobicContact CG-CB 4.33Å; F84-L105 HydrophobicContact CG-CD1 4.45Å; F84-L105 HydrophobicContact CZ-CD1 3.44Å; F84-L105 VanDerWaalsContact CZ-CD1 3.44Å; F84-V107 HydrophobicContact CB-CG2 4.2Å; F84-V107 HydrophobicContact CD1-CG1 3.8Å; F84-V107 HydrophobicContact CE1-CG1 4.49Å; F84-M123 HydrophobicContact CD1-CB 4.48Å; F84-M123 HydrophobicContact CE1-CB 4.22Å; F84-F127 HydrophobicContact CD1-CE2 4.48Å; F84-F127 AromaticContact CE1-CD2 3.48Å; F84-F127 HydrophobicContact CE1-CD2 3.48Å; F84-F127 VanDerWaalsContact CE1-CD2 3.48Å; F84-F127 AromaticContact CE1-CE2 3.66Å; F84-F127 HydrophobicContact CE1-CE2 3.66Å; F84-F127 AromaticContact CE1-CG 3.98Å; F84-F127 HydrophobicContact CE1-CG 3.98Å; F84-F127 HydrophobicContact CE1-CZ 4.34Å; F84-F127 HydrophobicContact CZ-CB 4.16Å; F84-F127 AromaticContact CZ-CD2 3.96Å; F84-F127 HydrophobicContact CZ-CD2 3.96Å; F84-F127 HydrophobicContact CZ-CE2 4.5Å; F84-F127 HydrophobicContact CZ-CG 4.01Å; F84-F132 HydrophobicContact CE2-CZ 4.17Å; F84-F132 AromaticContact CZ-CZ 3.87Å; F84-F132 HydrophobicContact CZ-CZ 3.87Å |
| 85 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 154.9 | -177.1 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | A54 Q87 L88 V91 V104 L105 E106 V107 | A54-T85 WeakPolarHBondContact O-CA 3.33Å; A54-T85 VanDerWaalsContact O-CB 3.3Å; A54-T85 WeakPolarHBondContact O-CB 3.32Å; A54-T85 PolarHBondContact O-OG1 2.55Å; T85-Q87 PolarHBondContact OG1-N 2.85Å; T85-Q87 VanDerWaalsContact OG1-N 3.09Å; T85-L88 HydrophobicContact CG2-CD2 4.39Å; T85-V91 HydrophobicContact CG2-CG2 3.83Å; T85-V104 HydrophobicContact CG2-CG1 3.55Å; T85-L105 PolarHBondContact N-O 3Å; T85-E106 WeakPolarHBondContact O-CA 3.44Å; T85-V107 PolarHBondContact O-N 2.77Å |
| 86 | D | 97.7 | Very high | 98.1 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -90.4 | -2.5 | 167.3 | 64.3 | -38.2 | 0 | 0 | 0 | 112.5 | I55 K56 V107 A109 | I55-D86 WeakPolarHBondContact CA-OD1 3.34Å; I55-D86 HydrophobicContact CD1-CB 4.42Å; K56-D86 PolarHBondContact N-OD1 2.7Å; K56-D86 PolarHBondContact N-OD2 3.43Å; D86-V107 WeakPolarHBondContact CA-O 3.42Å; D86-A109 HydrophobicContact CB-CB 3.87Å; D86-A109 WeakPolarHBondContact OD2-CB 3.41Å |
| 87 | Q | 97.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | trans | -135.7 | 79.3 | -173.4 | -69.6 | 163.2 | 78.8 | 0 | 0 | 111.2 | K56 V59 T85 A89 A90 | K56-Q87 VanDerWaalsContact C-NE2 3.34Å; K56-Q87 PolarHBondContact O-NE2 2.7Å; V59-Q87 HydrophobicContact CG1-CB 4.3Å; T85-Q87 PolarHBondContact OG1-N 2.85Å; T85-Q87 VanDerWaalsContact OG1-N 3.09Å; Q87-A89 VanDerWaalsContact C-N 3.26Å; Q87-A89 PolarHBondContact O-N 2.91Å; Q87-A90 HydrophobicContact CB-CB 3.79Å; Q87-A90 WeakPolarHBondContact O-CB 3.31Å; Q87-A90 PolarHBondContact O-N 2.81Å | ||
| 88 | L | 96.3 | Very high | 98 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -50.5 | -43.4 | -178.9 | -68.6 | 176.2 | 0 | 0 | 0 | 113.4 | T85 A90 V91 V104 E106 | T85-L88 HydrophobicContact CG2-CD2 4.39Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.63Å; L88-V91 PolarHBondContact O-N 3.34Å; L88-V104 HydrophobicContact CD2-CB 4.08Å; L88-V104 HydrophobicContact CD2-CG1 3.37Å; L88-E106 HydrophobicContact CD1-CB 4.36Å; L88-E106 HydrophobicContact CD1-CG 4.4Å; L88-E106 HydrophobicContact CD2-CB 3.99Å; L88-E106 HydrophobicContact CD2-CG 4.48Å; L88-E106 HydrophobicContact CG-CB 4.27Å; L88-E106 HydrophobicContact CG-CG 4.27Å |
| 89 | A | 96.7 | Very high | 98 | Very high | 107 Ų | 107 | 52.1 Ų | 52.1 | 88% | 0.884 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -72.2 | -16.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q87 | Q87-A89 VanDerWaalsContact C-N 3.26Å; Q87-A89 PolarHBondContact O-N 2.91Å |
| 90 | A | 97.3 | Very high | 98 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -85.7 | -9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | V59 Q87 L88 | V59-A90 HydrophobicContact CB-CB 3.96Å; V59-A90 HydrophobicContact CG1-CB 4.07Å; V59-A90 HydrophobicContact CG2-CB 3.91Å; Q87-A90 HydrophobicContact CB-CB 3.79Å; Q87-A90 WeakPolarHBondContact O-CB 3.31Å; Q87-A90 PolarHBondContact O-N 2.81Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 2.63Å |
| 91 | V | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -69.4 | 122 | 177 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | L62 V83 T85 L88 L102 V104 | L62-V91 HydrophobicContact CD1-CG1 4.43Å; L62-V91 HydrophobicContact CD1-CG2 4.15Å; V83-V91 HydrophobicContact CG1-CG1 4.42Å; V83-V91 HydrophobicContact CG1-CG2 4.06Å; T85-V91 HydrophobicContact CG2-CG2 3.83Å; L88-V91 PolarHBondContact O-N 3.34Å; V91-L102 HydrophobicContact CG1-CD2 4.46Å; V91-V104 HydrophobicContact CB-CG2 4.23Å; V91-V104 HydrophobicContact CG1-CG2 3.98Å; V91-V104 HydrophobicContact CG2-CG1 3.74Å; V91-V104 HydrophobicContact CG2-CG2 4.1Å |
| 92 | P | 97.4 | Very high | 98 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | trans | -70.1 | 147 | -175.6 | 28.8 | -34.6 | 0 | 0 | 0 | 111.4 | L62 K63 L66 V94 | L62-P92 HydrophobicContact CB-CG 3.84Å; K63-P92 HydrophobicContact CB-CB 4.15Å; K63-P92 HydrophobicContact CB-CG 4Å; K63-P92 HydrophobicContact CG-CB 4.44Å; L66-P92 HydrophobicContact CD1-CG 4.3Å; P92-V94 HydrophobicContact CB-CG2 4.26Å; P92-V94 HydrophobicContact CG-CG2 4.14Å; P92-V94 PolarHBondContact O-N 3.07Å | ||
| 93 | R | 96.7 | Very high | 97.9 | Very high | 252 Ų | 252 | 61.6 Ų | 61.6 | 95% | 0.951 | 36% | 0.356 | S | S | * | . | trans | -77.7 | 107.7 | 167.8 | -65.5 | -178.5 | -177 | 167.6 | 0.9 | 108.7 | ||||
| 94 | V | 97.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.17 | 37% | 0.371 | C | S | . | . | trans | -111.7 | 137.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 109 | L66 E67 P92 L96 | L66-V94 HydrophobicContact CB-CB 4.31Å; L66-V94 HydrophobicContact CB-CG1 4.21Å; L66-V94 HydrophobicContact CB-CG2 3.9Å; L66-V94 HydrophobicContact CD1-CG2 4.07Å; E67-V94 HydrophobicContact CG-CG1 3.93Å; E67-V94 HydrophobicContact CG-CG2 4.4Å; P92-V94 HydrophobicContact CB-CG2 4.26Å; P92-V94 HydrophobicContact CG-CG2 4.14Å; P92-V94 PolarHBondContact O-N 3.07Å; V94-L96 HydrophobicContact CG1-CD2 4.47Å; V94-L96 PolarHBondContact O-N 3.49Å | ||
| 95 | T | 98.3 | Very high | 97.9 | Very high | 131 Ų | 131 | 64.5 Ų | 64.5 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 122.3 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 96 | L | 98.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 141.1 | 177.7 | -53.1 | -178.1 | 0 | 0 | 0 | 110.6 | E70 Y81 V94 R100 L102 | E70-L96 HydrophobicContact CG-CD2 4.07Å; E70-L96 WeakPolarHBondContact OE2-CA 3.2Å; Y81-L96 HydrophobicContact CD2-CD1 4.49Å; Y81-L96 HydrophobicContact CD2-CD2 4.34Å; Y81-L96 HydrophobicContact CE2-CD2 3.98Å; V94-L96 HydrophobicContact CG1-CD2 4.47Å; V94-L96 PolarHBondContact O-N 3.49Å; L96-R100 HydrophobicContact CB-CB 4.34Å; L96-L102 HydrophobicContact CD1-CB 3.83Å |
| 97 | G | 98 | Very high | 97.8 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67 | 163.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E70 G99 R100 | E70-G97 PolarHBondContact OE2-N 3.07Å; G97-G99 PolarHBondContact O-N 2.95Å; G97-R100 VanDerWaalsContact O-CB 3.31Å; G97-R100 WeakPolarHBondContact O-CB 3.46Å; G97-R100 WeakPolarHBondContact O-CG 3.45Å; G97-R100 PolarHBondContact O-N 3.49Å |
| 98 | T | 97.8 | Very high | 97.7 | Very high | 149 Ų | 149 | 74.1 Ų | 74.1 | 91% | 0.914 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 137.9 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 112 | R100 | T98-R100 VanDerWaalsContact C-N 3.26Å; T98-R100 PolarHBondContact O-N 3.15Å |
| 99 | G | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 72.1 Ų | 72.1 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 11.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R78 V79 G97 | R78-G99 WeakPolarHBondContact CA-O 3.46Å; V79-G99 PolarHBondContact N-O 3.42Å; G97-G99 PolarHBondContact O-N 2.95Å |
| 100 | R | 98.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.1 | 178.9 | -48.2 | 175.9 | 72.2 | 89.8 | -11.3 | 109.9 | E70 F73 M74 V79 Y81 L96 G97 T98 | E70-R100 WeakPolarHBondContact OE1-CD 3.29Å; E70-R100 IonicContact OE1-CZ 3.73Å; E70-R100 IonicContact OE1-NE 2.93Å; E70-R100 PolarHBondContact OE1-NE 2.88Å; E70-R100 IonicContact OE1-NH2 3.61Å; E70-R100 WeakPolarHBondContact OE2-CD 3.47Å; E70-R100 IonicContact OE2-NE 3.98Å; F73-R100 PolarHBondContact O-NH1 2.92Å; F73-R100 PolarHBondContact O-NH2 3.46Å; M74-R100 PolarHBondContact O-NH1 3.3Å; V79-R100 HydrophobicContact CB-CB 4.48Å; V79-R100 HydrophobicContact CB-CG 4.27Å; V79-R100 CarbonylContact O-C 3.43Å; V79-R100 VanDerWaalsContact O-CA 3.27Å; V79-R100 WeakPolarHBondContact O-CA 3.5Å; Y81-R100 PolarHBondContact OH-NH2 3.14Å; L96-R100 HydrophobicContact CB-CB 4.34Å; G97-R100 VanDerWaalsContact O-CB 3.31Å; G97-R100 WeakPolarHBondContact O-CB 3.46Å; G97-R100 WeakPolarHBondContact O-CG 3.45Å; G97-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact C-N 3.26Å; T98-R100 PolarHBondContact O-N 3.15Å |
| 101 | Q | 98.7 | Very high | 96.9 | Very high | 101 Ų | 101 | 74.8 Ų | 74.8 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.2 | -178.8 | 65.3 | -174.6 | -1 | 0 | 0 | 111.4 | V79 H80 Y81 | V79-Q101 PolarHBondContact O-N 3.26Å; H80-Q101 CarbonylContact C-O 3.54Å; H80-Q101 WeakPolarHBondContact CA-O 3.43Å; H80-Q101 HydrophobicContact CB-CG 4.21Å; H80-Q101 PolarHBondContact CE1-NE2 3.42Å; H80-Q101 PolarHBondContact ND1-NE2 3.31Å; Y81-Q101 WeakPolarHBondContact CD2-O 3.16Å; Y81-Q101 PolarHBondContact N-O 3.45Å |
| 102 | L | 98.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.4 | 179.6 | -175.4 | 153 | 0 | 0 | 0 | 109.9 | L66 Y81 V83 V91 L96 V104 | L66-L102 HydrophobicContact CD1-CD1 3.73Å; L66-L102 HydrophobicContact CD2-CD1 3.89Å; L66-L102 HydrophobicContact CG-CD1 4.48Å; Y81-L102 HydrophobicContact CD2-CB 4.4Å; Y81-L102 CarbonylContact O-C 3.55Å; Y81-L102 WeakPolarHBondContact O-CA 3.33Å; V83-L102 HydrophobicContact CG2-CD1 3.93Å; V83-L102 HydrophobicContact CG2-CD2 4.25Å; V83-L102 HydrophobicContact CG2-CG 4.12Å; V91-L102 HydrophobicContact CG1-CD2 4.46Å; L96-L102 HydrophobicContact CD1-CB 3.83Å; L102-V104 HydrophobicContact CD2-CG2 3.65Å |
| 103 | S | 98.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 81 Ų | 81 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.8 | 169.7 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | H80 Y81 V83 | H80-S103 PolarHBondContact NE2-OG 2.74Å; Y81-S103 PolarHBondContact O-N 2.81Å; V83-S103 PolarHBondContact N-O 3.22Å |
| 104 | V | 98.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 70.7 Ų | 70.7 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128 | 172.6 | -168.3 | 0 | 0 | 0 | 0 | 108.3 | V83 T85 L88 V91 L102 | V83-V104 WeakPolarHBondContact O-CA 3.31Å; T85-V104 HydrophobicContact CG2-CG1 3.55Å; L88-V104 HydrophobicContact CD2-CB 4.08Å; L88-V104 HydrophobicContact CD2-CG1 3.37Å; V91-V104 HydrophobicContact CB-CG2 4.23Å; V91-V104 HydrophobicContact CG1-CG2 3.98Å; V91-V104 HydrophobicContact CG2-CG1 3.74Å; V91-V104 HydrophobicContact CG2-CG2 4.1Å; L102-V104 HydrophobicContact CD2-CG2 3.65Å |
| 105 | L | 98.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 107.7 | -177.1 | -54.5 | 179.9 | 0 | 0 | 0 | 108.1 | Y82 V83 F84 T85 V107 F127 | Y82-L105 HydrophobicContact CD1-CD1 4.06Å; Y82-L105 HydrophobicContact CG-CD1 4.43Å; V83-L105 PolarHBondContact O-N 3.48Å; F84-L105 WeakPolarHBondContact CA-O 3.38Å; F84-L105 HydrophobicContact CD1-CB 3.95Å; F84-L105 HydrophobicContact CD1-CD1 4.15Å; F84-L105 HydrophobicContact CD2-CD1 4.27Å; F84-L105 HydrophobicContact CE1-CB 4.17Å; F84-L105 HydrophobicContact CE1-CD1 3.65Å; F84-L105 HydrophobicContact CE2-CD1 3.76Å; F84-L105 HydrophobicContact CG-CB 4.33Å; F84-L105 HydrophobicContact CG-CD1 4.45Å; F84-L105 HydrophobicContact CZ-CD1 3.44Å; F84-L105 VanDerWaalsContact CZ-CD1 3.44Å; T85-L105 PolarHBondContact N-O 3Å; L105-V107 PolarHBondContact O-N 2.77Å; L105-F127 HydrophobicContact CB-CE1 4.25Å; L105-F127 HydrophobicContact CB-CZ 4.07Å; L105-F127 HydrophobicContact CD1-CD1 3.65Å; L105-F127 HydrophobicContact CD1-CE1 3.65Å; L105-F127 HydrophobicContact CD1-CG 4.16Å; L105-F127 HydrophobicContact CD1-CZ 4.12Å; L105-F127 HydrophobicContact CD2-CD1 4.32Å; L105-F127 HydrophobicContact CD2-CE1 3.69Å; L105-F127 HydrophobicContact CD2-CZ 4.31Å; L105-F127 HydrophobicContact CG-CE1 4.06Å; L105-F127 HydrophobicContact CG-CZ 4.39Å |
| 106 | E | 97.5 | Very high | 95 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.6 | 179.2 | -166.9 | 174.6 | -171.2 | 0 | 0 | 110.7 | T85 L88 | T85-E106 WeakPolarHBondContact O-CA 3.44Å; L88-E106 HydrophobicContact CD1-CB 4.36Å; L88-E106 HydrophobicContact CD1-CG 4.4Å; L88-E106 HydrophobicContact CD2-CB 3.99Å; L88-E106 HydrophobicContact CD2-CG 4.48Å; L88-E106 HydrophobicContact CG-CB 4.27Å; L88-E106 HydrophobicContact CG-CG 4.27Å |
| 107 | V | 96.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | trans | -140.3 | 155.8 | 177 | -66.1 | 0 | 0 | 0 | 0 | 111 | I55 F84 T85 D86 L105 M123 | I55-V107 HydrophobicContact CD1-CG2 3.56Å; F84-V107 HydrophobicContact CB-CG2 4.2Å; F84-V107 HydrophobicContact CD1-CG1 3.8Å; F84-V107 HydrophobicContact CE1-CG1 4.49Å; T85-V107 PolarHBondContact O-N 2.77Å; D86-V107 WeakPolarHBondContact CA-O 3.42Å; L105-V107 PolarHBondContact O-N 2.77Å; V107-M123 HydrophobicContact CB-CE 4.04Å; V107-M123 HydrophobicContact CB-SD 3.78Å; V107-M123 HydrophobicContact CG1-CG 4.49Å; V107-M123 HydrophobicContact CG1-SD 3.79Å; V107-M123 HydrophobicContact CG2-CE 4.38Å; V107-M123 HydrophobicContact CG2-SD 3.9Å | ||
| 108 | R | 94.7 | Very high | 94.4 | Very high | 162 Ų | 162 | 64.3 Ų | 64.3 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.7 | 177.2 | 61.3 | 177.1 | -74.5 | -173.9 | -0.4 | 111.9 | Y110 M123 | R108-Y110 HydrophobicContact CG-CD2 4.36Å; R108-Y110 HydrophobicContact CG-CE2 3.78Å; R108-Y110 VanDerWaalsContact CZ-CE1 3.49Å; R108-M123 HydrophobicContact CG-CE 4.43Å |
| 109 | A | 93.8 | Very high | 94.3 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 128.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I55 K56 D86 | I55-A109 HydrophobicContact CG2-CB 3.81Å; K56-A109 HydrophobicContact CG-CB 4.21Å; D86-A109 HydrophobicContact CB-CB 3.87Å; D86-A109 WeakPolarHBondContact OD2-CB 3.41Å |
| 110 | Y | 91.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 12% | 0.122 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 151.9 | 169.2 | -71.5 | -95.6 | 0 | 0 | 0 | 110.8 | K56 R108 D115 R119 M123 | K56-Y110 WeakPolarHBondContact CE-O 3.45Å; K56-Y110 PolarHBondContact NZ-O 2.9Å; R108-Y110 HydrophobicContact CG-CD2 4.36Å; R108-Y110 HydrophobicContact CG-CE2 3.78Å; R108-Y110 VanDerWaalsContact CZ-CE1 3.49Å; Y110-D115 HydrophobicContact CD1-CB 4.06Å; Y110-D115 HydrophobicContact CG-CB 3.95Å; Y110-R119 HydrophobicContact CD1-CG 4.43Å; Y110-R119 HydrophobicContact CD2-CB 4.13Å; Y110-R119 HydrophobicContact CD2-CG 3.94Å; Y110-R119 HydrophobicContact CE1-CG 4.1Å; Y110-R119 HydrophobicContact CE2-CB 3.73Å; Y110-R119 HydrophobicContact CE2-CG 3.55Å; Y110-R119 HydrophobicContact CG-CG 4.36Å; Y110-M123 HydrophobicContact CD2-CE 4.43Å; Y110-M123 HydrophobicContact CE2-CE 3.77Å |
| 111 | K | 88.9 | Confident | 94.2 | Very high | 173 Ų | 173 | 56.1 Ų | 56.1 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -67.1 | -48 | -174.9 | -172.1 | 176.7 | 179.4 | 179.9 | 0 | 112.1 | K56 | K56-K111 PolarHBondContact NZ-O 3.42Š|
| 112 | R | 90.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -83.7 | 142.2 | -179.8 | -62.9 | 171.1 | 62.5 | -137.9 | 4.5 | 110.6 | Q114 D115 V116 E229 | R112-Q114 PolarHBondContact O-N 2.86Å; R112-D115 HydrophobicContact CB-CB 4.32Å; R112-D115 WeakPolarHBondContact CB-OD2 3.43Å; R112-D115 IonicContact NH1-OD1 3.42Å; R112-D115 PolarHBondContact NH1-OD1 2.98Å; R112-D115 IonicContact NH1-OD2 3.47Å; R112-D115 PolarHBondContact O-N 3.33Å; R112-V116 PolarHBondContact O-N 2.75Å; R112-V116 VanDerWaalsContact O-N 3.15Å; R112-E229 IonicContact CZ-OE1 3.26Å; R112-E229 IonicContact CZ-OE2 2.8Å; R112-E229 IonicContact NH1-OE1 3.5Å; R112-E229 IonicContact NH1-OE2 3.57Å; R112-E229 PolarHBondContact NH1-OE2 3.02Å; R112-E229 VanDerWaalsContact NH2-CD 3.29Å; R112-E229 IonicContact NH2-OE1 3.56Å; R112-E229 PolarHBondContact NH2-OE1 3.1Å; R112-E229 IonicContact NH2-OE2 3.87Å; R112-E229 PolarHBondContact NH2-OE2 3.23Å |
| 113 | W | 88.3 | Confident | 94.1 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -31.2 | 176.4 | 70.7 | -98.8 | 0 | 0 | 0 | 111.5 | V116 S117 H233 Q284 | W113-V116 WeakPolarHBondContact O-CB 3.24Å; W113-V116 PolarHBondContact O-N 3.2Å; W113-S117 PolarHBondContact O-N 2.68Å; W113-H233 AromaticContact CH2-CE1 3.26Å; W113-H233 WeakPolarHBondContact CH2-CE1 3.49Å; W113-H233 AromaticContact CH2-ND1 3.65Å; W113-H233 AromaticContact CZ2-CE1 3.87Å; W113-H233 AromaticContact CZ3-CE1 3.91Å; W113-H233 AromaticContact CZ3-ND1 3.89Å; W113-Q284 HydrophobicContact CB-CB 4.03Å; W113-Q284 HydrophobicContact CB-CG 4.02Å; W113-Q284 HydrophobicContact CG-CB 4.13Å; W113-Q284 HydrophobicContact CG-CG 4.07Å |
| 114 | Q | 89.3 | Confident | 94.1 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 173 | -62.7 | 88.9 | -21.9 | 0 | 0 | 110.8 | R112 V116 S117 M118 H233 | R112-Q114 PolarHBondContact O-N 2.86Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.21Å; Q114-S117 PolarHBondContact O-N 3.29Å; Q114-M118 HydrophobicContact CB-CE 4.26Å; Q114-M118 WeakPolarHBondContact O-CB 3.26Å; Q114-M118 VanDerWaalsContact O-CG 3.31Å; Q114-M118 WeakPolarHBondContact O-CG 3.36Å; Q114-M118 PolarHBondContact O-N 2.99Å; Q114-H233 VanDerWaalsContact CG-CD2 3.46Å; Q114-H233 WeakPolarHBondContact CG-CD2 3.5Å; Q114-H233 WeakPolarHBondContact CG-NE2 3.31Å |
| 115 | D | 90.8 | Very high | 94.1 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 178.6 | -62.1 | -29.9 | 0 | 0 | 0 | 111.2 | Y110 R112 S117 R119 | Y110-D115 HydrophobicContact CD1-CB 4.06Å; Y110-D115 HydrophobicContact CG-CB 3.95Å; R112-D115 HydrophobicContact CB-CB 4.32Å; R112-D115 WeakPolarHBondContact CB-OD2 3.43Å; R112-D115 IonicContact NH1-OD1 3.42Å; R112-D115 PolarHBondContact NH1-OD1 2.98Å; R112-D115 IonicContact NH1-OD2 3.47Å; R112-D115 PolarHBondContact O-N 3.33Å; D115-S117 VanDerWaalsContact C-N 3.34Å; D115-S117 PolarHBondContact O-N 3.36Å; D115-R119 WeakPolarHBondContact O-CB 3.03Å; D115-R119 WeakPolarHBondContact O-CG 3.5Å; D115-R119 PolarHBondContact O-N 3.29Å |
| 116 | V | 89.1 | Confident | 94.1 | Very high | 28 Ų | 28 | 51 Ų | 51 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I55 R112 W113 Q114 R120 | I55-V116 HydrophobicContact CB-CG1 3.81Å; I55-V116 HydrophobicContact CG1-CG1 4Å; I55-V116 HydrophobicContact CG2-CG1 3.99Å; I55-V116 HydrophobicContact CG2-CG2 4.05Å; R112-V116 PolarHBondContact O-N 2.75Å; R112-V116 VanDerWaalsContact O-N 3.15Å; W113-V116 WeakPolarHBondContact O-CB 3.24Å; W113-V116 PolarHBondContact O-N 3.2Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.21Å; V116-R120 WeakPolarHBondContact O-CG 3.34Å |
| 117 | S | 90.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 46 Ų | 46 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -48.5 | 178.5 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | W113 Q114 D115 R119 R120 D234 | W113-S117 PolarHBondContact O-N 2.68Å; Q114-S117 PolarHBondContact O-N 3.29Å; D115-S117 VanDerWaalsContact C-N 3.34Å; D115-S117 PolarHBondContact O-N 3.36Å; S117-R119 PolarHBondContact O-N 3.33Å; S117-R120 WeakPolarHBondContact O-CB 3.25Å; S117-R120 VanDerWaalsContact O-CG 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.17Å; S117-R120 PolarHBondContact O-N 3.2Å; S117-R120 PolarHBondContact O-NE 2.75Å; S117-R120 VanDerWaalsContact O-NE 3.12Å; S117-D234 WeakPolarHBondContact CB-OD1 3.39Å; S117-D234 PolarHBondContact OG-OD1 3.16Å; S117-D234 PolarHBondContact OG-OD2 3.23Å |
| 118 | M | 94.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | -177.9 | -72.5 | -170 | -62.9 | 0 | 0 | 113 | Q114 R120 M121 M220 E229 H233 | Q114-M118 HydrophobicContact CB-CE 4.26Å; Q114-M118 WeakPolarHBondContact O-CB 3.26Å; Q114-M118 VanDerWaalsContact O-CG 3.31Å; Q114-M118 WeakPolarHBondContact O-CG 3.36Å; Q114-M118 PolarHBondContact O-N 2.99Å; M118-R120 PolarHBondContact O-N 3.3Å; M118-M121 PolarHBondContact O-N 3.35Å; M118-M220 HydrophobicContact CB-CE 4.44Å; M118-M220 HydrophobicContact CB-SD 3.53Å; M118-M220 VanDerWaalsContact CB-SD 3.53Å; M118-M220 HydrophobicContact CG-SD 3.59Å; M118-M220 VanDerWaalsContact CG-SD 3.59Å; M118-M220 VanDerWaalsContact O-CE 3.29Å; M118-M220 WeakPolarHBondContact O-CE 3.18Å; M118-M220 HydrophobicContact SD-SD 3.94Å; M118-E229 HydrophobicContact CE-CG 4.23Å; M118-E229 WeakPolarHBondContact CE-OE2 3.45Å; M118-E229 HydrophobicContact SD-CG 4.19Å; M118-H233 HydrophobicContact CG-CB 3.74Å; M118-H233 HydrophobicContact SD-CB 4.17Å |
| 119 | R | 95.8 | Very high | 94 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.8 | -9 | -175.7 | -64.6 | -77.2 | 175.2 | -176.2 | -4.4 | 113.3 | Y110 D115 S117 M121 E122 M123 H217 | Y110-R119 HydrophobicContact CD1-CG 4.43Å; Y110-R119 HydrophobicContact CD2-CB 4.13Å; Y110-R119 HydrophobicContact CD2-CG 3.94Å; Y110-R119 HydrophobicContact CE1-CG 4.1Å; Y110-R119 HydrophobicContact CE2-CB 3.73Å; Y110-R119 HydrophobicContact CE2-CG 3.55Å; Y110-R119 HydrophobicContact CG-CG 4.36Å; D115-R119 WeakPolarHBondContact O-CB 3.03Å; D115-R119 WeakPolarHBondContact O-CG 3.5Å; D115-R119 PolarHBondContact O-N 3.29Å; S117-R119 PolarHBondContact O-N 3.33Å; R119-M121 PolarHBondContact O-N 3.45Å; R119-E122 WeakPolarHBondContact CD-OE2 3.31Å; R119-E122 IonicContact CZ-OE2 3.56Å; R119-E122 IonicContact NE-OE2 3.33Å; R119-E122 IonicContact NH1-OE1 3.52Å; R119-E122 IonicContact NH1-OE2 3.52Å; R119-E122 PolarHBondContact NH1-OE2 3.12Å; R119-E122 WeakPolarHBondContact O-CB 3.01Å; R119-E122 PolarHBondContact O-N 2.96Å; R119-M123 HydrophobicContact CB-CE 4.2Å; R119-M123 WeakPolarHBondContact O-CG 3.47Å; R119-M123 PolarHBondContact O-N 3.5Å; R119-H217 PolarHBondContact NH1-CE1 3.38Å |
| 120 | R | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | 169.7 | -60.8 | -173.9 | -61.8 | 154.3 | 0.8 | 111.6 | F53 V116 S117 M118 E122 M123 I124 D143 G199 D234 | F53-R120 HydrophobicContact CB-CG 4.28Å; F53-R120 HydrophobicContact CD1-CG 3.85Å; F53-R120 HydrophobicContact CD2-CB 4.08Å; F53-R120 HydrophobicContact CD2-CG 3.63Å; F53-R120 HydrophobicContact CE1-CB 4.37Å; F53-R120 HydrophobicContact CE1-CG 4.07Å; F53-R120 HydrophobicContact CE2-CB 3.81Å; F53-R120 HydrophobicContact CE2-CG 3.87Å; F53-R120 HydrophobicContact CG-CB 4.47Å; F53-R120 HydrophobicContact CG-CG 3.63Å; F53-R120 HydrophobicContact CZ-CB 3.97Å; F53-R120 HydrophobicContact CZ-CG 4.08Å; V116-R120 WeakPolarHBondContact O-CG 3.34Å; S117-R120 WeakPolarHBondContact O-CB 3.25Å; S117-R120 VanDerWaalsContact O-CG 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.17Å; S117-R120 PolarHBondContact O-N 3.2Å; S117-R120 PolarHBondContact O-NE 2.75Å; S117-R120 VanDerWaalsContact O-NE 3.12Å; M118-R120 PolarHBondContact O-N 3.3Å; R120-E122 PolarHBondContact O-N 2.87Å; R120-M123 PolarHBondContact O-N 3.19Å; R120-I124 HydrophobicContact CB-CD1 4.41Å; R120-I124 WeakPolarHBondContact O-CB 3.24Å; R120-I124 WeakPolarHBondContact O-CD1 3.4Å; R120-I124 WeakPolarHBondContact O-CG1 3.42Å; R120-I124 PolarHBondContact O-N 3.15Å; R120-D143 IonicContact CZ-OD1 3.77Å; R120-D143 IonicContact NH1-OD1 3.62Å; R120-D143 PolarHBondContact NH1-OD1 3.38Å; R120-D143 IonicContact NH2-OD1 3.51Å; R120-G199 PolarHBondContact NH2-O 3.44Å; R120-D234 IonicContact CZ-OD2 2.67Å; R120-D234 IonicContact NE-OD2 3.43Å; R120-D234 IonicContact NH2-OD2 3.81Å; R120-D234 PolarHBondContact NH2-OD2 3.23Å |
| 121 | M | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 179.1 | -63.2 | -63.8 | -179.6 | 0 | 0 | 111.8 | M118 R119 S125 F202 L212 T213 C216 H217 M220 D234 | M118-M121 PolarHBondContact O-N 3.35Å; R119-M121 PolarHBondContact O-N 3.45Å; M121-S125 WeakPolarHBondContact O-CB 3.19Å; M121-S125 PolarHBondContact O-N 3.45Å; M121-S125 VanDerWaalsContact O-N 3.09Å; M121-S125 PolarHBondContact O-OG 3.44Å; M121-F202 HydrophobicContact CE-CE1 4.06Å; M121-F202 HydrophobicContact CE-CZ 4.03Å; M121-F202 HydrophobicContact SD-CZ 4.09Å; M121-L212 HydrophobicContact CE-CD2 4.48Å; M121-L212 HydrophobicContact SD-CD2 4.15Å; M121-T213 WeakPolarHBondContact O-CB 3.43Å; M121-T213 HydrophobicContact SD-CG2 3.81Å; M121-C216 HydrophobicContact CB-CB 4.36Å; M121-C216 HydrophobicContact CG-CB 3.96Å; M121-C216 HydrophobicContact SD-CB 4.1Å; M121-H217 HydrophobicContact CB-CB 4.21Å; M121-M220 HydrophobicContact CB-CE 3.63Å; M121-M220 HydrophobicContact CG-CE 3.56Å; M121-D234 HydrophobicContact CE-CB 3.93Å; M121-D234 HydrophobicContact CG-CB 4.3Å |
| 122 | E | 98.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -54.5 | 174.6 | -175.1 | 179.4 | -179.4 | 0 | 0 | 110.6 | R119 R120 I124 S125 D126 H217 | R119-E122 WeakPolarHBondContact CD-OE2 3.31Å; R119-E122 IonicContact CZ-OE2 3.56Å; R119-E122 IonicContact NE-OE2 3.33Å; R119-E122 IonicContact NH1-OE1 3.52Å; R119-E122 IonicContact NH1-OE2 3.52Å; R119-E122 PolarHBondContact NH1-OE2 3.12Å; R119-E122 WeakPolarHBondContact O-CB 3.01Å; R119-E122 PolarHBondContact O-N 2.96Å; R120-E122 PolarHBondContact O-N 2.87Å; E122-I124 PolarHBondContact O-N 3.22Å; E122-S125 PolarHBondContact O-N 2.84Å; E122-S125 VanDerWaalsContact O-N 3.1Å; E122-S125 PolarHBondContact O-OG 2.81Å; E122-D126 PolarHBondContact O-N 3.46Å; E122-H217 IonicContact OE2-CE1 3.5Å; E122-H217 PolarHBondContact OE2-CE1 2.99Å |
| 123 | M | 97.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | -175.3 | -65.4 | 177.6 | -171.3 | 0 | 0 | 112.3 | F53 F84 V107 R108 Y110 R119 R120 S125 D126 F127 | F53-M123 HydrophobicContact CD1-SD 4.37Å; F53-M123 HydrophobicContact CE1-CB 3.94Å; F53-M123 HydrophobicContact CE1-CG 4.39Å; F53-M123 HydrophobicContact CE1-SD 3.56Å; F53-M123 VanDerWaalsContact CE1-SD 3.56Å; F53-M123 HydrophobicContact CZ-CB 3.88Å; F53-M123 HydrophobicContact CZ-SD 4.44Å; F84-M123 HydrophobicContact CD1-CB 4.48Å; F84-M123 HydrophobicContact CE1-CB 4.22Å; V107-M123 HydrophobicContact CB-CE 4.04Å; V107-M123 HydrophobicContact CB-SD 3.78Å; V107-M123 HydrophobicContact CG1-CG 4.49Å; V107-M123 HydrophobicContact CG1-SD 3.79Å; V107-M123 HydrophobicContact CG2-CE 4.38Å; V107-M123 HydrophobicContact CG2-SD 3.9Å; R108-M123 HydrophobicContact CG-CE 4.43Å; Y110-M123 HydrophobicContact CD2-CE 4.43Å; Y110-M123 HydrophobicContact CE2-CE 3.77Å; R119-M123 HydrophobicContact CB-CE 4.2Å; R119-M123 WeakPolarHBondContact O-CG 3.47Å; R119-M123 PolarHBondContact O-N 3.5Å; R120-M123 PolarHBondContact O-N 3.19Å; M123-S125 VanDerWaalsContact C-N 3.33Å; M123-S125 PolarHBondContact O-N 2.94Å; M123-D126 PolarHBondContact O-N 2.92Å; M123-F127 VanDerWaalsContact O-CD2 3.29Å; M123-F127 WeakPolarHBondContact O-CD2 3.46Å; M123-F127 PolarHBondContact O-N 3.43Å; M123-F127 VanDerWaalsContact O-N 3.07Å |
| 124 | I | 98.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 175 | -65.7 | 161.5 | 0 | 0 | 0 | 110 | F53 R120 E122 D126 F127 C128 F132 C141 F202 V209 T213 | F53-I124 HydrophobicContact CE2-CD1 3.96Å; F53-I124 HydrophobicContact CE2-CG1 3.82Å; F53-I124 HydrophobicContact CZ-CG1 4.02Å; R120-I124 HydrophobicContact CB-CD1 4.41Å; R120-I124 WeakPolarHBondContact O-CB 3.24Å; R120-I124 WeakPolarHBondContact O-CD1 3.4Å; R120-I124 WeakPolarHBondContact O-CG1 3.42Å; R120-I124 PolarHBondContact O-N 3.15Å; E122-I124 PolarHBondContact O-N 3.22Å; I124-D126 VanDerWaalsContact C-N 3.34Å; I124-D126 PolarHBondContact O-N 3.28Å; I124-F127 PolarHBondContact O-N 2.71Å; I124-C128 PolarHBondContact O-N 2.84Å; I124-C128 PolarHBondContact O-SG 3.21Å; I124-F132 HydrophobicContact CG2-CE2 4.37Å; I124-C141 HydrophobicContact CD1-CB 4.21Å; I124-F202 HydrophobicContact CD1-CZ 4.2Å; I124-V209 HydrophobicContact CG2-CG1 3.83Å; I124-T213 HydrophobicContact CB-CG2 4.03Å; I124-T213 HydrophobicContact CD1-CG2 4.43Å; I124-T213 HydrophobicContact CG2-CG2 3.78Å |
| 125 | S | 97.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | -178.8 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | M121 E122 M123 C128 T213 | M121-S125 WeakPolarHBondContact O-CB 3.19Å; M121-S125 PolarHBondContact O-N 3.45Å; M121-S125 VanDerWaalsContact O-N 3.09Å; M121-S125 PolarHBondContact O-OG 3.44Å; E122-S125 PolarHBondContact O-N 2.84Å; E122-S125 VanDerWaalsContact O-N 3.1Å; E122-S125 PolarHBondContact O-OG 2.81Å; M123-S125 VanDerWaalsContact C-N 3.33Å; M123-S125 PolarHBondContact O-N 2.94Å; S125-C128 WeakPolarHBondContact O-CB 3.39Å; S125-C128 PolarHBondContact O-N 3.2Å; S125-T213 WeakPolarHBondContact CB-OG1 3.19Å |
| 126 | D | 97.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.7 | -84.8 | 10.3 | 0 | 0 | 0 | 111.4 | E122 M123 I124 C128 E129 R130 | E122-D126 PolarHBondContact O-N 3.46Å; M123-D126 PolarHBondContact O-N 2.92Å; I124-D126 VanDerWaalsContact C-N 3.34Å; I124-D126 PolarHBondContact O-N 3.28Å; D126-C128 VanDerWaalsContact C-N 3.3Å; D126-C128 PolarHBondContact O-N 3.04Å; D126-E129 PolarHBondContact O-N 2.95Å; D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 2.94Å; D126-R130 VanDerWaalsContact O-N 3.13Å; D126-R130 IonicContact OD2-CZ 3.79Å; D126-R130 IonicContact OD2-NH2 2.77Å; D126-R130 PolarHBondContact OD2-NH2 2.89Å |
| 127 | F | 98.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75 | -18.8 | -178.9 | -83.5 | -92.4 | 0 | 0 | 0 | 113.5 | F84 L105 M123 I124 E129 R130 R131 F132 | F84-F127 HydrophobicContact CD1-CE2 4.48Å; F84-F127 AromaticContact CE1-CD2 3.48Å; F84-F127 HydrophobicContact CE1-CD2 3.48Å; F84-F127 VanDerWaalsContact CE1-CD2 3.48Å; F84-F127 AromaticContact CE1-CE2 3.66Å; F84-F127 HydrophobicContact CE1-CE2 3.66Å; F84-F127 AromaticContact CE1-CG 3.98Å; F84-F127 HydrophobicContact CE1-CG 3.98Å; F84-F127 HydrophobicContact CE1-CZ 4.34Å; F84-F127 HydrophobicContact CZ-CB 4.16Å; F84-F127 AromaticContact CZ-CD2 3.96Å; F84-F127 HydrophobicContact CZ-CD2 3.96Å; F84-F127 HydrophobicContact CZ-CE2 4.5Å; F84-F127 HydrophobicContact CZ-CG 4.01Å; L105-F127 HydrophobicContact CB-CE1 4.25Å; L105-F127 HydrophobicContact CB-CZ 4.07Å; L105-F127 HydrophobicContact CD1-CD1 3.65Å; L105-F127 HydrophobicContact CD1-CE1 3.65Å; L105-F127 HydrophobicContact CD1-CG 4.16Å; L105-F127 HydrophobicContact CD1-CZ 4.12Å; L105-F127 HydrophobicContact CD2-CD1 4.32Å; L105-F127 HydrophobicContact CD2-CE1 3.69Å; L105-F127 HydrophobicContact CD2-CZ 4.31Å; L105-F127 HydrophobicContact CG-CE1 4.06Å; L105-F127 HydrophobicContact CG-CZ 4.39Å; M123-F127 VanDerWaalsContact O-CD2 3.29Å; M123-F127 WeakPolarHBondContact O-CD2 3.46Å; M123-F127 PolarHBondContact O-N 3.43Å; M123-F127 VanDerWaalsContact O-N 3.07Å; I124-F127 PolarHBondContact O-N 2.71Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.81Å; F127-R130 PolarHBondContact O-N 3.02Å; F127-R131 HydrophobicContact CD1-CG 4.18Å; F127-R131 PolarHBondContact O-N 2.76Å; F127-F132 HydrophobicContact CB-CD2 4.06Å; F127-F132 HydrophobicContact CB-CE1 3.99Å; F127-F132 HydrophobicContact CB-CE2 3.41Å; F127-F132 VanDerWaalsContact CB-CE2 3.41Å; F127-F132 HydrophobicContact CB-CZ 3.39Å; F127-F132 HydrophobicContact CG-CZ 4.32Å; F127-F132 WeakPolarHBondContact O-CD2 3.34Å; F127-F132 WeakPolarHBondContact O-CG 3.37Å; F127-F132 PolarHBondContact O-N 2.89Å |
| 128 | C | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -56.4 | -47.4 | 166.8 | -71 | 0 | 0 | 0 | 0 | 110.9 | I124 S125 D126 F132 L133 V206 Q210 | I124-C128 PolarHBondContact O-N 2.84Å; I124-C128 PolarHBondContact O-SG 3.21Å; S125-C128 WeakPolarHBondContact O-CB 3.39Å; S125-C128 PolarHBondContact O-N 3.2Å; D126-C128 VanDerWaalsContact C-N 3.3Å; D126-C128 PolarHBondContact O-N 3.04Å; C128-F132 HydrophobicContact CB-CD2 4.3Å; C128-F132 VanDerWaalsContact N-CD2 3.32Å; C128-L133 VanDerWaalsContact O-CG 3.26Å; C128-L133 WeakPolarHBondContact O-CG 3.34Å; C128-L133 PolarHBondContact O-N 3.44Å; C128-V206 HydrophobicContact CB-CG1 4.22Å; C128-Q210 HydrophobicContact CB-CB 3.8Å; C128-Q210 HydrophobicContact CB-CG 3.82Å |
| 129 | E | 91.6 | Very high | 97.3 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -72.8 | -39.5 | 179.3 | -64.8 | -171.9 | 164.3 | 0 | 0 | 112.8 | D126 F127 Q210 R214 | D126-E129 PolarHBondContact O-N 2.95Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.81Å; E129-Q210 PolarHBondContact OE1-NE2 2.78Å; E129-R214 IonicContact OE1-CZ 4Å; E129-R214 IonicContact OE1-NH1 2.62Å; E129-R214 IonicContact OE1-NH2 3.53Å; E129-R214 PolarHBondContact OE1-NH2 3.13Å |
| 130 | R | 93.3 | Very high | 97.4 | Very high | 165 Ų | 165 | 43.6 Ų | 43.6 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | I | π-helix | trans | -78.3 | -32.3 | -173.1 | -65 | 172.6 | -168.7 | -168.4 | 9.9 | 113.6 | D126 F127 | D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 2.94Å; D126-R130 VanDerWaalsContact O-N 3.13Å; D126-R130 IonicContact OD2-CZ 3.79Å; D126-R130 IonicContact OD2-NH2 2.77Å; D126-R130 PolarHBondContact OD2-NH2 2.89Å; F127-R130 PolarHBondContact O-N 3.02Å |
| 131 | R | 95.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 43 Ų | 43 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -141.9 | -54.2 | -168.7 | -64.3 | -162.7 | 71.8 | 159.1 | 2.5 | 114.1 | F127 L133 S134 E135 | F127-R131 HydrophobicContact CD1-CG 4.18Å; F127-R131 PolarHBondContact O-N 2.76Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.89Å; R131-S134 PolarHBondContact O-N 2.89Å; R131-S134 PolarHBondContact O-OG 3.34Å; R131-E135 IonicContact CZ-OE1 3.92Å; R131-E135 VanDerWaalsContact CZ-OE1 3.27Å; R131-E135 IonicContact CZ-OE2 3.7Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NE-OE2 2.98Å; R131-E135 IonicContact NH2-OE1 2.73Å; R131-E135 PolarHBondContact NH2-OE1 2.77Å; R131-E135 IonicContact NH2-OE2 3.2Å; R131-E135 WeakPolarHBondContact O-CG 3.48Å; R131-E135 PolarHBondContact O-N 2.84Å |
| 132 | F | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -63.5 | -37.4 | -162.3 | -51 | -35.6 | 0 | 0 | 0 | 112.8 | T51 Y82 F84 I124 F127 C128 S134 E135 V136 L139 V206 | T51-F132 HydrophobicContact CG2-CE2 4.11Å; T51-F132 HydrophobicContact CG2-CZ 3.84Å; Y82-F132 HydrophobicContact CD1-CD1 4.31Å; Y82-F132 AromaticContact CD1-CE1 3.6Å; Y82-F132 HydrophobicContact CD1-CE1 3.6Å; Y82-F132 HydrophobicContact CD2-CD1 4.06Å; Y82-F132 AromaticContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CE1 3.56Å; Y82-F132 HydrophobicContact CD2-CZ 4.28Å; Y82-F132 AromaticContact CE1-CD1 3.92Å; Y82-F132 HydrophobicContact CE1-CD1 3.92Å; Y82-F132 AromaticContact CE1-CE1 3.66Å; Y82-F132 HydrophobicContact CE1-CE1 3.66Å; 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 4.35Å; Y82-F132 AromaticContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CE1 3.52Å; Y82-F132 HydrophobicContact CG-CZ 4.19Å; Y82-F132 AromaticContact CZ-CD1 3.55Å; Y82-F132 AromaticContact CZ-CE1 3.68Å; F84-F132 HydrophobicContact CE2-CZ 4.17Å; F84-F132 AromaticContact CZ-CZ 3.87Å; F84-F132 HydrophobicContact CZ-CZ 3.87Å; I124-F132 HydrophobicContact CG2-CE2 4.37Å; F127-F132 HydrophobicContact CB-CD2 4.06Å; F127-F132 HydrophobicContact CB-CE1 3.99Å; F127-F132 HydrophobicContact CB-CE2 3.41Å; F127-F132 VanDerWaalsContact CB-CE2 3.41Å; F127-F132 HydrophobicContact CB-CZ 3.39Å; F127-F132 HydrophobicContact CG-CZ 4.32Å; F127-F132 WeakPolarHBondContact O-CD2 3.34Å; F127-F132 WeakPolarHBondContact O-CG 3.37Å; F127-F132 PolarHBondContact O-N 2.89Å; C128-F132 HydrophobicContact CB-CD2 4.3Å; C128-F132 VanDerWaalsContact N-CD2 3.32Å; F132-S134 PolarHBondContact O-N 3.25Å; F132-S134 VanDerWaalsContact O-N 3.12Å; F132-E135 PolarHBondContact O-N 3.25Å; F132-E135 VanDerWaalsContact O-N 3.07Å; F132-V136 HydrophobicContact CB-CG2 4.11Å; F132-V136 PolarHBondContact O-N 3.29Å; F132-L139 HydrophobicContact CB-CD1 3.89Å; F132-L139 HydrophobicContact CB-CD2 4.23Å; F132-L139 HydrophobicContact CB-CG 4.39Å; F132-L139 HydrophobicContact CD1-CD2 4.25Å; F132-L139 HydrophobicContact CD2-CD1 3.43Å; F132-L139 VanDerWaalsContact CD2-CD1 3.43Å; F132-L139 HydrophobicContact CD2-CD2 3.89Å; F132-L139 HydrophobicContact CD2-CG 4.29Å; F132-L139 HydrophobicContact CE2-CD1 4.16Å; F132-L139 HydrophobicContact CE2-CD2 4.23Å; F132-L139 HydrophobicContact CG-CD1 3.9Å; F132-L139 HydrophobicContact CG-CD2 3.88Å; F132-L139 HydrophobicContact CG-CG 4.43Å; F132-V206 HydrophobicContact CB-CG1 3.88Å; F132-V206 HydrophobicContact CB-CG2 4.27Å |
| 133 | L | 96.9 | Very high | 97.6 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 52% | 0.518 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.8 | -27.1 | 177.7 | -78.8 | 170.4 | 0 | 0 | 0 | 113.8 | C128 R131 V206 | C128-L133 VanDerWaalsContact O-CG 3.26Å; C128-L133 WeakPolarHBondContact O-CG 3.34Å; C128-L133 PolarHBondContact O-N 3.44Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.89Å; L133-V206 HydrophobicContact CB-CG1 4.44Å; L133-V206 HydrophobicContact CD2-CB 4.08Å; L133-V206 HydrophobicContact CD2-CG1 3.6Å; L133-V206 HydrophobicContact CG-CG1 3.72Å |
| 134 | S | 97.8 | Very high | 97.6 | Very high | 103 Ų | 103 | 41.8 Ų | 41.8 | 72% | 0.72 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -98 | -11 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | R131 F132 | R131-S134 PolarHBondContact O-N 2.89Å; R131-S134 PolarHBondContact O-OG 3.34Å; F132-S134 PolarHBondContact O-N 3.25Å; F132-S134 VanDerWaalsContact O-N 3.12Å |
| 135 | E | 98.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -114.9 | -32 | -168.4 | -69.7 | -179.3 | 175.2 | 0 | 0 | 113.3 | H80 Y82 R131 F132 | H80-E135 IonicContact CE1-OE2 2.75Å; H80-E135 PolarHBondContact CE1-OE2 3.44Å; H80-E135 VanDerWaalsContact CE1-OE2 3.26Å; H80-E135 IonicContact ND1-OE2 3.93Å; Y82-E135 WeakPolarHBondContact CE1-OE2 3.46Å; Y82-E135 VanDerWaalsContact CZ-OE2 3.28Å; Y82-E135 VanDerWaalsContact OH-CB 3.27Å; Y82-E135 WeakPolarHBondContact OH-CB 3.32Å; Y82-E135 PolarHBondContact OH-OE2 3Å; R131-E135 IonicContact CZ-OE1 3.92Å; R131-E135 VanDerWaalsContact CZ-OE1 3.27Å; R131-E135 IonicContact CZ-OE2 3.7Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NE-OE2 2.98Å; R131-E135 IonicContact NH2-OE1 2.73Å; R131-E135 PolarHBondContact NH2-OE1 2.77Å; R131-E135 IonicContact NH2-OE2 3.2Å; R131-E135 WeakPolarHBondContact O-CG 3.48Å; R131-E135 PolarHBondContact O-N 2.84Å; F132-E135 PolarHBondContact O-N 3.25Å; F132-E135 VanDerWaalsContact O-N 3.07Å |
| 136 | V | 98.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | trans | -140.8 | 153.8 | -172.2 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | T47 H80 Y82 F132 L139 V206 | T47-V136 HydrophobicContact CG2-CB 4.4Å; T47-V136 HydrophobicContact CG2-CG1 3.93Å; H80-V136 HydrophobicContact CB-CG1 3.94Å; Y82-V136 HydrophobicContact CE2-CG1 4.11Å; F132-V136 HydrophobicContact CB-CG2 4.11Å; F132-V136 PolarHBondContact O-N 3.29Å; V136-L139 HydrophobicContact CG2-CD2 3.98Å; V136-L139 HydrophobicContact CG2-CG 4.14Å; V136-V206 HydrophobicContact CG2-CG2 3.75Å; V136-V206 VanDerWaalsContact O-CG2 3.23Å; V136-V206 WeakPolarHBondContact O-CG2 3.28Å | ||
| 137 | D | 98.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -87 | -38.8 | 177.5 | -56.3 | -64 | 0 | 0 | 0 | 111.4 | T46 T47 S205 V206 | T46-D137 WeakPolarHBondContact CA-OD2 3.4Å; T46-D137 HydrophobicContact CG2-CB 4.28Å; T47-D137 PolarHBondContact N-OD2 3.13Å; T47-D137 PolarHBondContact O-N 3.42Å; D137-S205 WeakPolarHBondContact O-CA 3.39Å; D137-V206 PolarHBondContact O-N 2.89Å |
| 138 | Y | 98.9 | Very high | 97.7 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.7 | -178.2 | -63.5 | -90.3 | 0 | 0 | 0 | 111 | F41 T46 T47 G49 L157 T158 G204 | F41-Y138 HydrophobicContact CE1-CE2 4.13Å; T46-Y138 HydrophobicContact CG2-CD2 3.66Å; T46-Y138 HydrophobicContact CG2-CE2 3.85Å; T47-Y138 PolarHBondContact O-N 2.61Å; G49-Y138 PolarHBondContact N-O 2.78Å; Y138-L157 HydrophobicContact CD1-CB 4.31Å; Y138-L157 HydrophobicContact CD1-CD2 4.35Å; Y138-L157 HydrophobicContact CD2-CD1 4.12Å; Y138-L157 HydrophobicContact CD2-CD2 4.43Å; Y138-L157 HydrophobicContact CE1-CB 4.36Å; Y138-L157 HydrophobicContact CG-CB 4.42Å; Y138-L157 HydrophobicContact CG-CD1 4.46Å; Y138-L157 HydrophobicContact CG-CD2 3.96Å; Y138-T158 WeakPolarHBondContact CE1-O 3.34Å; Y138-G204 CarbonylContact C-O 3.1Å; Y138-G204 VanDerWaalsContact CA-O 3.24Å; Y138-G204 WeakPolarHBondContact CA-O 3.13Å; Y138-G204 WeakPolarHBondContact CB-O 3.22Å |
| 139 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.6 | 169.9 | -75.8 | 164.9 | 0 | 0 | 0 | 110.2 | G49 T51 Y82 F132 V136 G203 G204 V206 V209 | G49-L139 CarbonylContact O-C 3.29Å; G49-L139 WeakPolarHBondContact O-CA 3.49Å; T51-L139 HydrophobicContact CG2-CD2 3.85Å; Y82-L139 HydrophobicContact CE2-CD2 4.48Å; F132-L139 HydrophobicContact CB-CD1 3.89Å; F132-L139 HydrophobicContact CB-CD2 4.23Å; F132-L139 HydrophobicContact CB-CG 4.39Å; F132-L139 HydrophobicContact CD1-CD2 4.25Å; F132-L139 HydrophobicContact CD2-CD1 3.43Å; F132-L139 VanDerWaalsContact CD2-CD1 3.43Å; F132-L139 HydrophobicContact CD2-CD2 3.89Å; F132-L139 HydrophobicContact CD2-CG 4.29Å; F132-L139 HydrophobicContact CE2-CD1 4.16Å; F132-L139 HydrophobicContact CE2-CD2 4.23Å; F132-L139 HydrophobicContact CG-CD1 3.9Å; F132-L139 HydrophobicContact CG-CD2 3.88Å; F132-L139 HydrophobicContact CG-CG 4.43Å; V136-L139 HydrophobicContact CG2-CD2 3.98Å; V136-L139 HydrophobicContact CG2-CG 4.14Å; L139-G203 CarbonylContact O-C 3.6Å; L139-G203 WeakPolarHBondContact O-CA 3.45Å; L139-G204 PolarHBondContact N-O 3.38Å; L139-G204 PolarHBondContact O-N 2.93Å; L139-V206 HydrophobicContact CD1-CB 4.38Å; L139-V206 HydrophobicContact CD1-CG1 4.12Å; L139-V206 HydrophobicContact CD1-CG2 4.14Å; L139-V206 HydrophobicContact CG-CG2 4.13Å; L139-V209 HydrophobicContact CB-CB 4.29Å; L139-V209 HydrophobicContact CB-CG1 4.18Å; L139-V209 HydrophobicContact CB-CG2 4.02Å; L139-V209 HydrophobicContact CD1-CB 4.22Å; L139-V209 HydrophobicContact CD1-CG1 3.96Å |
| 140 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124 | 168.8 | 179 | 0 | 0 | 0 | 0 | 107.1 | I48 G49 L50 T51 F73 V142 I156 F161 F201 | I48-V140 HydrophobicContact CG2-CG2 3.93Å; G49-V140 PolarHBondContact O-N 2.81Å; L50-V140 WeakPolarHBondContact CA-O 3.45Å; L50-V140 HydrophobicContact CD1-CB 3.83Å; L50-V140 HydrophobicContact CD1-CG1 3.65Å; T51-V140 PolarHBondContact N-O 2.81Å; F73-V140 HydrophobicContact CE2-CB 4.38Å; F73-V140 HydrophobicContact CE2-CG1 4.2Å; F73-V140 HydrophobicContact CE2-CG2 4.29Å; F73-V140 HydrophobicContact CZ-CB 4.14Å; F73-V140 HydrophobicContact CZ-CG1 4.43Å; F73-V140 HydrophobicContact CZ-CG2 4.07Å; V140-V142 HydrophobicContact CG1-CG1 3.89Å; V140-I156 HydrophobicContact CG2-CD1 4.01Å; V140-F161 HydrophobicContact CG1-CZ 4.35Å; V140-F161 HydrophobicContact CG2-CE1 4.45Å; V140-F161 HydrophobicContact CG2-CZ 4.2Å; V140-F201 HydrophobicContact CG1-CD1 4.16Å; V140-F201 HydrophobicContact CG1-CE1 3.49Å; V140-F201 VanDerWaalsContact CG1-CE1 3.49Å; V140-F201 HydrophobicContact CG1-CZ 4.11Å |
| 141 | C | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.5 | -174.6 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | T51 I124 F201 F202 | T51-C141 WeakPolarHBondContact OG1-CA 3.42Å; T51-C141 WeakPolarHBondContact OG1-CB 3.28Å; T51-C141 PolarHBondContact OG1-SG 2.99Å; I124-C141 HydrophobicContact CD1-CB 4.21Å; C141-F201 WeakPolarHBondContact O-CA 3.47Å; C141-F202 HydrophobicContact CB-CD1 4.26Å; C141-F202 HydrophobicContact CB-CD2 4.03Å; C141-F202 HydrophobicContact CB-CE1 3.84Å; C141-F202 HydrophobicContact CB-CE2 3.58Å; C141-F202 HydrophobicContact CB-CG 4.35Å; C141-F202 HydrophobicContact CB-CZ 3.48Å; C141-F202 VanDerWaalsContact CB-CZ 3.48Å; C141-F202 PolarHBondContact N-O 3.5Å; C141-F202 PolarHBondContact O-N 2.82Å; C141-F202 VanDerWaalsContact O-N 3.1Å |
| 142 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158 | -172.1 | -60 | 0 | 0 | 0 | 0 | 113.6 | L50 T51 F65 V140 G200 F201 F273 | L50-V142 HydrophobicContact CD1-CG1 4.32Å; L50-V142 HydrophobicContact CD1-CG2 3.74Å; L50-V142 HydrophobicContact CG-CG2 4.43Å; T51-V142 PolarHBondContact O-N 3.36Å; F65-V142 HydrophobicContact CE2-CG2 3.62Å; F65-V142 HydrophobicContact CZ-CG2 3.49Å; F65-V142 VanDerWaalsContact CZ-CG2 3.49Å; V140-V142 HydrophobicContact CG1-CG1 3.89Å; V142-G200 CarbonylContact C-O 3.5Å; V142-G200 WeakPolarHBondContact CA-O 3.49Å; V142-F201 HydrophobicContact CG1-CB 4.25Å; V142-F201 HydrophobicContact CG1-CD1 3.71Å; V142-F201 HydrophobicContact CG1-CD2 4Å; V142-F201 HydrophobicContact CG1-CE1 4.05Å; V142-F201 HydrophobicContact CG1-CE2 4.3Å; V142-F201 HydrophobicContact CG1-CG 3.73Å; V142-F201 HydrophobicContact CG1-CZ 4.34Å; V142-F273 HydrophobicContact CB-CE1 4.16Å; V142-F273 HydrophobicContact CB-CZ 4.04Å; V142-F273 HydrophobicContact CG1-CE1 4.33Å; V142-F273 HydrophobicContact CG1-CZ 4.48Å; V142-F273 HydrophobicContact CG2-CZ 4.23Å |
| 143 | D | 97.9 | Very high | 98.5 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | trans | -72.5 | 147.1 | 169.1 | -77.2 | -13.8 | 0 | 0 | 0 | 111.9 | R120 M146 G200 | R120-D143 IonicContact CZ-OD1 3.77Å; R120-D143 IonicContact NH1-OD1 3.62Å; R120-D143 PolarHBondContact NH1-OD1 3.38Å; R120-D143 IonicContact NH2-OD1 3.51Å; D143-M146 HydrophobicContact CB-CG 4.07Å; D143-M146 WeakPolarHBondContact O-CG 3.39Å; D143-G200 VanDerWaalsContact CG-CA 3.42Å; D143-G200 PolarHBondContact N-O 3.19Å; D143-G200 WeakPolarHBondContact OD2-CA 3.1Å | ||
| 144 | V | 98.3 | Very high | 98.6 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -86.2 | -26 | -173.8 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | V52 F53 A54 Y58 F61 L62 F65 M146 | V52-V144 HydrophobicContact CG2-CB 3.35Å; V52-V144 HydrophobicContact CG2-CG2 3.48Å; V52-V144 VanDerWaalsContact CG2-CG2 3.48Å; F53-V144 WeakPolarHBondContact O-CB 3.35Å; F53-V144 WeakPolarHBondContact O-CG1 3.41Å; A54-V144 HydrophobicContact CB-CG2 4.31Å; Y58-V144 HydrophobicContact CD1-CG1 3.75Å; Y58-V144 HydrophobicContact CG-CG1 4.32Å; F61-V144 HydrophobicContact CB-CG1 4.28Å; F61-V144 HydrophobicContact CB-CG2 4.06Å; F61-V144 WeakPolarHBondContact CB-O 3.32Å; F61-V144 HydrophobicContact CD2-CG1 4.28Å; L62-V144 HydrophobicContact CD2-CG2 3.8Å; L62-V144 HydrophobicContact CG-CG2 4.22Å; F65-V144 HydrophobicContact CB-CG2 4.43Å; F65-V144 HydrophobicContact CG-CG2 4.4Å; V144-M146 PolarHBondContact O-N 2.95Å |
| 145 | D | 97.3 | Very high | 98.7 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 9% | 0.086 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -79.1 | 44.5 | -176.8 | 52.9 | -48.8 | 0 | 0 | 0 | 112.4 | Y58 F61 V276 K278 | Y58-D145 HydrophobicContact CD1-CB 4.35Å; Y58-D145 HydrophobicContact CE1-CB 4.22Å; F61-D145 HydrophobicContact CD1-CB 4.16Å; F61-D145 HydrophobicContact CD2-CB 3.9Å; F61-D145 HydrophobicContact CE1-CB 4.16Å; F61-D145 HydrophobicContact CE2-CB 3.92Å; F61-D145 HydrophobicContact CG-CB 4.04Å; F61-D145 HydrophobicContact CZ-CB 4.05Å; D145-V276 PolarHBondContact O-N 3.23Å; D145-K278 HydrophobicContact CB-CD 4.06Å; D145-K278 WeakPolarHBondContact OD2-CD 3.49Å; D145-K278 WeakPolarHBondContact OD2-CE 3.43Å; D145-K278 IonicContact OD2-NZ 2.74Å; D145-K278 PolarHBondContact OD2-NZ 2.91Å |
| 146 | M | 98.3 | Very high | 98.7 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.1 | -168.9 | -53.4 | -64.1 | -112.1 | 0 | 0 | 109.7 | D143 V144 L256 F273 T274 A275 | D143-M146 HydrophobicContact CB-CG 4.07Å; D143-M146 WeakPolarHBondContact O-CG 3.39Å; V144-M146 PolarHBondContact O-N 2.95Å; M146-L256 HydrophobicContact CE-CD1 3.5Å; M146-L256 HydrophobicContact CE-CD2 3.57Å; M146-L256 HydrophobicContact CE-CG 3.32Å; M146-F273 HydrophobicContact CB-CD1 4.37Å; M146-F273 HydrophobicContact CB-CD2 4.05Å; M146-F273 HydrophobicContact CB-CE1 3.67Å; M146-F273 HydrophobicContact CB-CE2 3.28Å; M146-F273 HydrophobicContact CB-CZ 3.08Å; M146-F273 HydrophobicContact CE-CD1 4.18Å; M146-F273 HydrophobicContact CE-CE1 3.88Å; M146-F273 HydrophobicContact CG-CE1 3.67Å; M146-F273 HydrophobicContact CG-CE2 4.21Å; M146-F273 HydrophobicContact CG-CZ 3.49Å; M146-F273 VanDerWaalsContact CG-CZ 3.49Å; M146-T274 CarbonylContact C-O 3.59Å; M146-T274 VanDerWaalsContact CA-O 3.29Å; M146-T274 WeakPolarHBondContact CA-O 3.43Å; M146-A275 WeakPolarHBondContact SD-CA 3.43Å; M146-A275 HydrophobicContact SD-CB 4.03Å |
| 147 | E | 98.7 | Very high | 98.7 | Very high | 34 Ų | 34 | 20.7 Ų | 20.7 | 16% | 0.159 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.6 | 172.8 | 65.6 | 175.8 | 159.2 | 0 | 0 | 111.1 | L64 T68 R149 F273 T274 V276 | L64-E147 HydrophobicContact CD2-CB 4.03Å; L64-E147 HydrophobicContact CG-CB 3.97Å; T68-E147 HydrophobicContact CG2-CB 4.29Å; E147-R149 HydrophobicContact CG-CG 4.15Å; E147-R149 IonicContact OE1-CZ 2.91Å; E147-R149 IonicContact OE1-NE 3.43Å; E147-R149 PolarHBondContact OE1-NE 3.34Å; E147-R149 IonicContact OE1-NH2 2.63Å; E147-R149 PolarHBondContact OE1-NH2 2.8Å; E147-F273 CarbonylContact O-C 3.54Å; E147-F273 WeakPolarHBondContact O-CA 3.4Å; E147-F273 WeakPolarHBondContact O-CD2 3.49Å; E147-T274 WeakPolarHBondContact CG-OG1 3.18Å; E147-T274 PolarHBondContact N-O 3.3Å; E147-T274 PolarHBondContact O-N 2.78Å; E147-V276 HydrophobicContact CB-CG2 4.13Å; E147-V276 HydrophobicContact CG-CG2 4.23Å |
| 148 | F | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.2 | 171.9 | -60.6 | -97.3 | 0 | 0 | 0 | 110 | L50 F65 T68 A69 H72 F73 V152 R272 F273 | L50-F148 HydrophobicContact CD2-CZ 4.36Å; F65-F148 HydrophobicContact CD2-CE2 4.24Å; F65-F148 AromaticContact CE2-CE2 3.83Å; F65-F148 HydrophobicContact CE2-CE2 3.83Å; F65-F148 HydrophobicContact CE2-CZ 4.38Å; F65-F148 HydrophobicContact CZ-CE2 4.03Å; F65-F148 HydrophobicContact CZ-CZ 4.45Å; T68-F148 VanDerWaalsContact CB-O 3.24Å; T68-F148 WeakPolarHBondContact CB-O 3.3Å; T68-F148 WeakPolarHBondContact CG2-O 3.47Å; T68-F148 PolarHBondContact OG1-N 3.13Å; 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 3.71Å; H72-F148 HydrophobicContact CB-CG 4.47Å; H72-F148 PolarHBondContact CD2-O 2.97Å; H72-F148 VanDerWaalsContact CD2-O 3.29Å; F73-F148 HydrophobicContact CB-CD1 4.45Å; F73-F148 HydrophobicContact CB-CE1 4.17Å; F73-F148 HydrophobicContact CB-CZ 4.35Å; F73-F148 AromaticContact CD2-CE1 3.96Å; F73-F148 HydrophobicContact CD2-CE1 3.96Å; F73-F148 HydrophobicContact CD2-CZ 4.22Å; F73-F148 HydrophobicContact CG-CE1 4.42Å; F73-F148 HydrophobicContact CG-CZ 4.47Å; F148-V152 HydrophobicContact CD1-CB 4.21Å; F148-V152 HydrophobicContact CD1-CG2 3.84Å; F148-V152 HydrophobicContact CE1-CB 4.23Å; F148-V152 HydrophobicContact CE1-CG1 4.41Å; F148-V152 HydrophobicContact CE1-CG2 4.12Å; F148-R272 CarbonylContact C-O 3.57Å; F148-R272 WeakPolarHBondContact CA-O 3.41Å; F148-F273 HydrophobicContact CD1-CB 4.32Å; F148-F273 AromaticContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CE2 4.32Å; F148-F273 HydrophobicContact CD1-CG 4.33Å; F148-F273 AromaticContact CD2-CD2 3.87Å; F148-F273 HydrophobicContact CD2-CD2 3.87Å; F148-F273 AromaticContact CD2-CE2 3.9Å; F148-F273 HydrophobicContact CD2-CE2 3.9Å; F148-F273 AromaticContact CE1-CD2 3.63Å; F148-F273 HydrophobicContact CE1-CD2 3.63Å; F148-F273 AromaticContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CG 4.25Å; F148-F273 AromaticContact CE2-CD2 3.86Å; F148-F273 HydrophobicContact CE2-CD2 3.86Å; F148-F273 AromaticContact CE2-CE2 3.54Å; F148-F273 HydrophobicContact CE2-CE2 3.54Å; F148-F273 AromaticContact CG-CD2 3.77Å; F148-F273 HydrophobicContact CG-CD2 3.77Å; F148-F273 HydrophobicContact CG-CE2 4.28Å; F148-F273 AromaticContact CZ-CD2 3.74Å; F148-F273 HydrophobicContact CZ-CD2 3.74Å; F148-F273 AromaticContact CZ-CE2 3.59Å; F148-F273 HydrophobicContact CZ-CE2 3.59Å; F148-F273 HydrophobicContact CZ-CZ 4.36Å |
| 149 | R | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 18.8 Ų | 18.8 | 40% | 0.396 | 9% | 0.094 | S | C | . | . | trans | -121.2 | -18.6 | -178.8 | -67.1 | -170.9 | 175.2 | -179.3 | 6.6 | 113.9 | E147 L271 R272 T274 | E147-R149 HydrophobicContact CG-CG 4.15Å; E147-R149 IonicContact OE1-CZ 2.91Å; E147-R149 IonicContact OE1-NE 3.43Å; E147-R149 PolarHBondContact OE1-NE 3.34Å; E147-R149 IonicContact OE1-NH2 2.63Å; E147-R149 PolarHBondContact OE1-NH2 2.8Å; R149-L271 WeakPolarHBondContact CB-O 3.42Å; R149-R272 PolarHBondContact N-O 3.09Å; R149-T274 VanDerWaalsContact CD-OG1 3.32Å; R149-T274 WeakPolarHBondContact CD-OG1 3.38Å; R149-T274 PolarHBondContact NE-OG1 2.8Å; R149-T274 VanDerWaalsContact NE-OG1 3.09Å | ||
| 150 | D | 98.9 | Very high | 98.7 | Very high | 48 Ų | 48 | 18.9 Ų | 18.9 | 26% | 0.257 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -150.7 | 173.3 | 177.2 | -154.7 | -33.3 | 0 | 0 | 0 | 109.1 | H72 V152 K270 R272 | H72-D150 WeakPolarHBondContact CB-O 3.35Å; D150-V152 PolarHBondContact O-N 3.41Å; D150-K270 VanDerWaalsContact CG-NZ 3.3Å; D150-K270 IonicContact OD1-NZ 3.7Å; D150-K270 PolarHBondContact OD1-NZ 3.09Å; D150-K270 WeakPolarHBondContact OD2-CD 3.29Å; D150-K270 WeakPolarHBondContact OD2-CE 3.34Å; D150-K270 WeakPolarHBondContact OD2-CG 3.2Å; D150-K270 IonicContact OD2-NZ 3.76Å; D150-K270 PolarHBondContact OD2-NZ 2.89Å; D150-R272 HydrophobicContact CB-CB 4.41Å; D150-R272 HydrophobicContact CB-CG 4.26Å; D150-R272 PolarHBondContact N-O 3.02Å |
| 151 | H | 98.9 | Very high | 98.7 | Very high | 48 Ų | 48 | 18.9 Ų | 18.9 | 22% | 0.222 | 9% | 0.094 | C | C | . | . | trans | -48.9 | 124.9 | -176.8 | 176.2 | 83.8 | 0 | 0 | 0 | 113.5 | I34 G153 E155 R272 | I34-H151 WeakPolarHBondContact CD1-NE2 3.42Å; H151-G153 WeakPolarHBondContact NE2-CA 3.46Å; H151-G153 PolarHBondContact NE2-N 2.84Å; H151-E155 IonicContact CD2-OE1 2.91Å; H151-E155 PolarHBondContact CD2-OE1 2.62Å; H151-E155 IonicContact CD2-OE2 3.06Å; H151-E155 IonicContact CE1-OE2 2.87Å; H151-E155 IonicContact NE2-OE1 2.78Å; H151-E155 PolarHBondContact NE2-OE1 3.41Å; H151-E155 IonicContact NE2-OE2 3.09Å; H151-E155 PolarHBondContact NE2-OE2 2.74Å; H151-R272 WeakPolarHBondContact O-CD 3.15Å; H151-R272 PolarHBondContact O-NH1 3.27Å | ||
| 152 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 103 | 165.2 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | H72 F73 M74 F148 D150 I156 F201 Y255 R272 | H72-V152 PolarHBondContact O-N 3.24Å; H72-V152 VanDerWaalsContact O-O 3.13Å; F73-V152 WeakPolarHBondContact CA-O 3.43Å; F73-V152 HydrophobicContact CD2-CB 4.35Å; F73-V152 HydrophobicContact CD2-CG1 3.97Å; F73-V152 HydrophobicContact CE2-CG1 4.32Å; M74-V152 PolarHBondContact N-O 3Å; F148-V152 HydrophobicContact CD1-CB 4.21Å; F148-V152 HydrophobicContact CD1-CG2 3.84Å; F148-V152 HydrophobicContact CE1-CB 4.23Å; F148-V152 HydrophobicContact CE1-CG1 4.41Å; F148-V152 HydrophobicContact CE1-CG2 4.12Å; D150-V152 PolarHBondContact O-N 3.41Å; V152-I156 HydrophobicContact CG1-CD1 3.91Å; V152-I156 HydrophobicContact CG1-CG2 4.48Å; V152-F201 HydrophobicContact CG1-CZ 4.07Å; V152-Y255 HydrophobicContact CG1-CD1 4.2Å; V152-Y255 HydrophobicContact CG1-CE1 4.3Å; V152-Y255 HydrophobicContact CG2-CD1 4.19Å; V152-Y255 HydrophobicContact CG2-CE1 4.4Å; V152-R272 HydrophobicContact CG2-CB 3.68Å |
| 153 | G | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | trans | -130.6 | -158.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M74 H151 E155 I156 | M74-G153 VanDerWaalsContact CE-C 3.49Å; M74-G153 WeakPolarHBondContact CE-O 3.4Å; H151-G153 WeakPolarHBondContact NE2-CA 3.46Å; H151-G153 PolarHBondContact NE2-N 2.84Å; G153-E155 WeakPolarHBondContact CA-OE2 3.21Å; G153-E155 PolarHBondContact N-OE1 3.28Å; G153-E155 PolarHBondContact N-OE2 2.84Å; G153-E155 PolarHBondContact O-N 3.02Å; G153-I156 WeakPolarHBondContact O-CG1 3.26Å; 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 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -65.2 | -10.5 | -172.8 | -64.2 | 0 | 0 | 0 | 0 | 114 | I34 L37 N38 F41 M74 H77 I156 L157 | I34-V154 HydrophobicContact CD1-CG2 4.23Å; L37-V154 HydrophobicContact CB-CG2 3.84Å; N38-V154 WeakPolarHBondContact OD1-CG2 3.45Å; F41-V154 HydrophobicContact CB-CB 4.22Å; F41-V154 HydrophobicContact CB-CG1 3.98Å; F41-V154 HydrophobicContact CB-CG2 4.49Å; F41-V154 HydrophobicContact CD2-CB 3.62Å; F41-V154 HydrophobicContact CD2-CG1 4.31Å; F41-V154 HydrophobicContact CD2-CG2 3.84Å; F41-V154 HydrophobicContact CE2-CB 4.13Å; F41-V154 HydrophobicContact CG-CB 3.96Å; F41-V154 HydrophobicContact CG-CG1 4.15Å; F41-V154 HydrophobicContact CG-CG2 4.44Å; M74-V154 HydrophobicContact SD-CG1 3.91Å; H77-V154 VanDerWaalsContact CE1-CG1 3.44Å; H77-V154 WeakPolarHBondContact CE1-CG1 3.2Å; H77-V154 WeakPolarHBondContact NE2-CG1 3.28Å; V154-I156 PolarHBondContact O-N 3.1Å; V154-L157 HydrophobicContact CB-CD1 4.01Å; V154-L157 HydrophobicContact CB-CG 4.43Å; V154-L157 HydrophobicContact CG1-CD1 3.78Å; V154-L157 PolarHBondContact O-N 3.19Å; V154-L157 VanDerWaalsContact O-N 3.08Å |
| 155 | E | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -59.4 | -24.8 | 171.7 | 74.9 | -76.7 | 176.7 | 0 | 0 | 113.4 | V27 F32 I34 L37 H151 G153 K249 Y255 | V27-E155 HydrophobicContact CG1-CB 4.34Å; V27-E155 HydrophobicContact CG1-CG 3.76Å; F32-E155 HydrophobicContact CD1-CB 4.1Å; F32-E155 HydrophobicContact CD1-CG 4.15Å; F32-E155 HydrophobicContact CD2-CB 3.87Å; F32-E155 HydrophobicContact CD2-CG 4.27Å; F32-E155 HydrophobicContact CE1-CB 4.27Å; F32-E155 HydrophobicContact CE1-CG 3.83Å; F32-E155 HydrophobicContact CE2-CB 4.04Å; 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 3.73Å; I34-E155 WeakPolarHBondContact CD1-OE2 3.35Å; L37-E155 HydrophobicContact CD1-CB 3.61Å; H151-E155 IonicContact CD2-OE1 2.91Å; H151-E155 PolarHBondContact CD2-OE1 2.62Å; H151-E155 IonicContact CD2-OE2 3.06Å; H151-E155 IonicContact CE1-OE2 2.87Å; H151-E155 IonicContact NE2-OE1 2.78Å; H151-E155 PolarHBondContact NE2-OE1 3.41Å; H151-E155 IonicContact NE2-OE2 3.09Å; H151-E155 PolarHBondContact NE2-OE2 2.74Å; G153-E155 WeakPolarHBondContact CA-OE2 3.21Å; G153-E155 PolarHBondContact N-OE1 3.28Å; G153-E155 PolarHBondContact N-OE2 2.84Å; G153-E155 PolarHBondContact O-N 3.02Å; E155-K249 WeakPolarHBondContact O-CD 3.4Å; E155-K249 PolarHBondContact O-NZ 3.08Å; E155-Y255 WeakPolarHBondContact CG-OH 3.45Å; E155-Y255 WeakPolarHBondContact OE1-CE1 3.37Å; E155-Y255 PolarHBondContact OE1-OH 3.16Å |
| 156 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -81.1 | -21.4 | 177.4 | 80.9 | -176.1 | 0 | 0 | 0 | 112.7 | M74 V140 V152 G153 V154 T158 F161 F201 L251 Y255 | M74-I156 HydrophobicContact CE-CD1 3.55Å; M74-I156 HydrophobicContact CE-CG1 3.66Å; V140-I156 HydrophobicContact CG2-CD1 4.01Å; V152-I156 HydrophobicContact CG1-CD1 3.91Å; V152-I156 HydrophobicContact CG1-CG2 4.48Å; G153-I156 WeakPolarHBondContact O-CG1 3.26Å; G153-I156 PolarHBondContact O-N 3.23Å; G153-I156 VanDerWaalsContact O-N 3.16Å; V154-I156 PolarHBondContact O-N 3.1Å; I156-T158 PolarHBondContact O-N 2.73Å; I156-F161 HydrophobicContact CD1-CZ 4.31Å; I156-F161 HydrophobicContact CG1-CE1 4.47Å; I156-F161 WeakPolarHBondContact O-CD1 3.03Å; I156-F201 HydrophobicContact CD1-CE1 4.11Å; I156-F201 HydrophobicContact CD1-CZ 4.02Å; I156-L251 HydrophobicContact CB-CD1 3.97Å; I156-L251 HydrophobicContact CB-CD2 3.77Å; I156-L251 HydrophobicContact CG2-CD1 3.9Å; I156-L251 HydrophobicContact CG2-CD2 3.77Å; I156-Y255 HydrophobicContact CG2-CD1 3.81Å; I156-Y255 HydrophobicContact CG2-CE1 3.34Å |
| 157 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | trans | -71.7 | 130.7 | -170.9 | -59.8 | -178.4 | 0 | 0 | 0 | 111.6 | F41 T46 I48 M74 Y138 V154 K249 | F41-L157 HydrophobicContact CD1-CD1 4.02Å; F41-L157 HydrophobicContact CE1-CB 3.86Å; F41-L157 HydrophobicContact CE1-CD1 4.02Å; F41-L157 HydrophobicContact CZ-CB 3.83Å; T46-L157 HydrophobicContact CG2-CD1 4.08Å; I48-L157 HydrophobicContact CD1-CD1 4.23Å; I48-L157 HydrophobicContact CG1-CD1 3.79Å; I48-L157 HydrophobicContact CG1-CD2 4.16Å; I48-L157 HydrophobicContact CG2-CD2 4.35Å; M74-L157 HydrophobicContact CE-CD1 4.42Å; M74-L157 HydrophobicContact CE-CD2 3.7Å; M74-L157 HydrophobicContact CE-CG 3.98Å; M74-L157 HydrophobicContact SD-CD1 4.46Å; Y138-L157 HydrophobicContact CD1-CB 4.31Å; Y138-L157 HydrophobicContact CD1-CD2 4.35Å; Y138-L157 HydrophobicContact CD2-CD1 4.12Å; Y138-L157 HydrophobicContact CD2-CD2 4.43Å; Y138-L157 HydrophobicContact CE1-CB 4.36Å; Y138-L157 HydrophobicContact CG-CB 4.42Å; Y138-L157 HydrophobicContact CG-CD1 4.46Å; Y138-L157 HydrophobicContact CG-CD2 3.96Å; V154-L157 HydrophobicContact CB-CD1 4.01Å; V154-L157 HydrophobicContact CB-CG 4.43Å; V154-L157 HydrophobicContact CG1-CD1 3.78Å; V154-L157 PolarHBondContact O-N 3.19Å; V154-L157 VanDerWaalsContact O-N 3.08Å; L157-K249 WeakPolarHBondContact O-CE 3.47Å; L157-K249 PolarHBondContact O-NZ 3.3Å | ||
| 158 | T | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -170.2 | 167.8 | -176.4 | -164 | 0 | 0 | 0 | 0 | 108.3 | Y138 I156 L160 F161 G204 S205 T248 K249 | Y138-T158 WeakPolarHBondContact CE1-O 3.34Å; I156-T158 PolarHBondContact O-N 2.73Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 VanDerWaalsContact CG2-O 3.25Å; T158-L160 WeakPolarHBondContact CG2-O 3.37Å; T158-L160 PolarHBondContact O-N 3.43Å; T158-F161 HydrophobicContact CG2-CB 3.75Å; T158-F161 HydrophobicContact CG2-CD1 4.13Å; T158-F161 HydrophobicContact CG2-CG 4.43Å; T158-G204 CarbonylContact O-C 3.47Å; T158-G204 VanDerWaalsContact O-CA 3.31Å; T158-G204 WeakPolarHBondContact O-CA 3.3Å; T158-S205 PolarHBondContact O-N 2.87Å; T158-T248 WeakPolarHBondContact CB-OG1 3.14Å; T158-T248 VanDerWaalsContact CG2-OG1 3.24Å; T158-T248 WeakPolarHBondContact CG2-OG1 3.38Å; T158-T248 WeakPolarHBondContact OG1-CB 3.34Å; T158-T248 PolarHBondContact OG1-OG1 2.82Å; T158-K249 HydrophobicContact CG2-CB 3.7Å; T158-K249 HydrophobicContact CG2-CD 4Å; T158-K249 HydrophobicContact CG2-CG 3.79Å |
| 159 | P | 98.9 | Very high | 98.7 | Very high | 62 Ų | 62 | 24.4 Ų | 24.4 | 40% | 0.403 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -53.9 | -44.1 | 177.3 | -31.3 | 37.8 | 0 | 0 | 0 | 113.9 | G204 S205 E208 T248 | P159-G204 CarbonylContact O-C 3.54Å; P159-G204 WeakPolarHBondContact O-CA 3.43Å; P159-S205 PolarHBondContact O-N 2.91Å; P159-E208 HydrophobicContact CB-CG 4.13Å; P159-E208 WeakPolarHBondContact O-CB 3.37Å; P159-E208 VanDerWaalsContact O-CG 3.24Å; P159-E208 WeakPolarHBondContact O-CG 3.18Å; P159-T248 HydrophobicContact CB-CG2 4.28Å; P159-T248 WeakPolarHBondContact CD-OG1 3.41Å; P159-T248 HydrophobicContact CG-CG2 4.46Å |
| 160 | L | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 132.7 | 177 | -179.9 | 63.7 | 0 | 0 | 0 | 110.7 | T158 E208 L212 Y241 L242 P247 T248 K249 | T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 VanDerWaalsContact CG2-O 3.25Å; T158-L160 WeakPolarHBondContact CG2-O 3.37Å; T158-L160 PolarHBondContact O-N 3.43Å; L160-E208 HydrophobicContact CB-CB 4.26Å; L160-E208 HydrophobicContact CB-CG 4.42Å; L160-E208 HydrophobicContact CD1-CB 4.47Å; L160-L212 HydrophobicContact CD1-CD1 3.72Å; L160-Y241 HydrophobicContact CD2-CE1 4.08Å; L160-L242 HydrophobicContact CD1-CD2 4.33Å; L160-L242 HydrophobicContact CD2-CD2 3.86Å; L160-L242 HydrophobicContact CG-CD2 4.13Å; L160-P247 HydrophobicContact CG-CB 4.36Å; L160-P247 CarbonylContact O-C 3.58Å; L160-T248 PolarHBondContact N-OG1 3.22Å; L160-T248 PolarHBondContact O-N 3.33Å; L160-T248 PolarHBondContact O-OG1 3.21Å; L160-K249 PolarHBondContact O-N 3.19Å |
| 161 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.2 | 171.3 | 71.4 | -94.9 | 0 | 0 | 0 | 112.9 | V140 I156 T158 F201 F202 G203 K249 L251 | V140-F161 HydrophobicContact CG1-CZ 4.35Å; V140-F161 HydrophobicContact CG2-CE1 4.45Å; V140-F161 HydrophobicContact CG2-CZ 4.2Å; I156-F161 HydrophobicContact CD1-CZ 4.31Å; I156-F161 HydrophobicContact CG1-CE1 4.47Å; I156-F161 WeakPolarHBondContact O-CD1 3.03Å; T158-F161 HydrophobicContact CG2-CB 3.75Å; T158-F161 HydrophobicContact CG2-CD1 4.13Å; T158-F161 HydrophobicContact CG2-CG 4.43Å; F161-F201 AromaticContact CE2-CD1 3.68Å; F161-F201 HydrophobicContact CE2-CD1 3.68Å; F161-F201 AromaticContact CE2-CE1 3.61Å; F161-F201 HydrophobicContact CE2-CE1 3.61Å; F161-F201 HydrophobicContact CZ-CD1 4.23Å; F161-F201 AromaticContact CZ-CE1 3.85Å; F161-F201 HydrophobicContact CZ-CE1 3.85Å; F161-F202 VanDerWaalsContact CZ-C 3.48Å; F161-G203 WeakPolarHBondContact CD1-O 3.26Å; F161-G203 VanDerWaalsContact CZ-CA 3.41Å; F161-G203 VanDerWaalsContact CZ-N 3.32Å; F161-G203 PolarHBondContact N-O 2.94Å; F161-G203 PolarHBondContact O-N 2.8Å; F161-K249 VanDerWaalsContact CA-O 3.23Å; F161-K249 WeakPolarHBondContact CA-O 3.22Å; F161-K249 HydrophobicContact CB-CB 4.29Å; F161-K249 VanDerWaalsContact CB-O 3.27Å; F161-K249 WeakPolarHBondContact CB-O 3.49Å; F161-L251 HydrophobicContact CD2-CD1 3.64Å; F161-L251 HydrophobicContact CD2-CG 3.83Å; F161-L251 HydrophobicContact CE2-CD1 3.62Å; F161-L251 HydrophobicContact CE2-CG 4.33Å |
| 162 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 161.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V250 L251 | G162-V250 CarbonylContact O-C 3.49Å; G162-V250 WeakPolarHBondContact O-CA 3.44Å; G162-L251 PolarHBondContact O-N 3Å |
| 163 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.1 | -176.9 | -53.7 | 0 | 0 | 0 | 0 | 110.4 | H165 Y197 L198 F201 L251 L256 | T163-H165 PolarHBondContact O-N 3.08Å; T163-Y197 CarbonylContact O-C 3.55Å; T163-Y197 VanDerWaalsContact O-CA 3.23Å; T163-Y197 WeakPolarHBondContact O-CA 3.45Å; T163-L198 PolarHBondContact O-N 2.76Å; T163-F201 VanDerWaalsContact CB-O 3.28Å; T163-F201 WeakPolarHBondContact CB-O 3.36Å; T163-F201 HydrophobicContact CG2-CB 4.5Å; T163-F201 PolarHBondContact N-O 3.08Å; T163-F201 PolarHBondContact OG1-O 2.65Å; T163-L251 HydrophobicContact CG2-CB 3.97Å; T163-L256 HydrophobicContact CG2-CB 4Å |
| 164 | L | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 127.2 | 174.9 | -64.2 | -178.4 | 0 | 0 | 0 | 110.2 | I26 F195 V250 L251 P253 | I26-L164 HydrophobicContact CG2-CD1 4.29Å; L164-F195 HydrophobicContact CD2-CB 3.47Å; L164-F195 VanDerWaalsContact CD2-CB 3.47Å; L164-F195 HydrophobicContact CD2-CD1 3.45Å; L164-F195 VanDerWaalsContact CD2-CD1 3.45Å; L164-F195 HydrophobicContact CD2-CD2 4.3Å; L164-F195 HydrophobicContact CD2-CE1 4.23Å; L164-F195 HydrophobicContact CD2-CG 3.48Å; L164-F195 VanDerWaalsContact CD2-CG 3.48Å; L164-V250 HydrophobicContact CD1-CG1 4.33Å; L164-V250 HydrophobicContact CD2-CG1 3.65Å; L164-V250 HydrophobicContact CG-CG1 3.65Å; L164-L251 WeakPolarHBondContact CG-O 3.46Å; L164-L251 PolarHBondContact N-O 3.47Å; L164-P253 HydrophobicContact CB-CG 4.09Å |
| 165 | H | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | trans | -67.3 | 132.5 | 177.4 | -172.4 | -68.9 | 0 | 0 | 0 | 110.7 | T163 G167 F168 Y169 Y196 L198 E235 | T163-H165 PolarHBondContact O-N 3.08Å; H165-G167 VanDerWaalsContact C-N 3.26Å; H165-G167 PolarHBondContact ND1-N 3.2Å; H165-G167 PolarHBondContact O-N 2.84Å; H165-F168 HydrophobicContact CB-CD2 4.26Å; H165-F168 AromaticContact CG-CD2 3.85Å; H165-F168 AromaticContact ND1-CD2 3.47Å; H165-F168 WeakPolarHBondContact ND1-CD2 3.23Å; H165-F168 PolarHBondContact O-N 3.2Å; H165-Y169 PolarHBondContact O-N 3.36Å; H165-Y196 HydrophobicContact CB-CD1 3.57Å; H165-Y196 HydrophobicContact CB-CE1 4.23Å; H165-Y196 WeakPolarHBondContact CB-O 3.34Å; H165-Y196 AromaticContact CD2-CE1 3.77Å; H165-Y196 AromaticContact CG-CD1 3.8Å; H165-Y196 PolarHBondContact N-O 3.46Å; H165-L198 HydrophobicContact CB-CB 4.18Å; H165-L198 HydrophobicContact CB-CD1 4.2Å; H165-L198 VanDerWaalsContact CD2-CD1 3.43Å; H165-L198 WeakPolarHBondContact CD2-CD1 3.42Å; H165-E235 IonicContact CD2-OE2 3.26Å | ||
| 166 | P | 98.3 | Very high | 98.4 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.3 | -171 | 31.4 | -37.3 | 0 | 0 | 0 | 113.1 | Y169 L198 P253 L256 W257 L262 | P166-Y169 WeakPolarHBondContact O-CD1 3.42Å; P166-Y169 WeakPolarHBondContact O-CE1 3.25Å; P166-L198 HydrophobicContact CG-CD1 4.3Å; P166-P253 HydrophobicContact CB-CB 4.27Å; P166-L256 WeakPolarHBondContact CB-O 3.27Å; P166-L256 HydrophobicContact CG-CD2 4.06Å; P166-W257 HydrophobicContact CB-CD2 4.17Å; P166-W257 HydrophobicContact CB-CE3 3.26Å; P166-W257 HydrophobicContact CB-CH2 4.37Å; P166-W257 HydrophobicContact CB-CZ3 3.37Å; P166-L262 HydrophobicContact CB-CD1 3.57Å; P166-L262 HydrophobicContact CG-CD1 4.06Å |
| 167 | G | 98.1 | Very high | 98.4 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | H165 | H165-G167 VanDerWaalsContact C-N 3.26Å; H165-G167 PolarHBondContact ND1-N 3.2Å; H165-G167 PolarHBondContact O-N 2.84Å |
| 168 | F | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 17% | 0.171 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | -4.2 | -168.3 | -67.8 | -74.9 | 0 | 0 | 0 | 115.6 | H165 G170 S171 F176 T177 Y196 | H165-F168 HydrophobicContact CB-CD2 4.26Å; H165-F168 AromaticContact CG-CD2 3.85Å; H165-F168 AromaticContact ND1-CD2 3.47Å; H165-F168 WeakPolarHBondContact ND1-CD2 3.23Å; H165-F168 PolarHBondContact O-N 3.2Å; F168-G170 PolarHBondContact O-N 2.82Å; F168-S171 WeakPolarHBondContact O-CB 3.45Å; F168-S171 PolarHBondContact O-N 2.88Å; F168-F176 HydrophobicContact CB-CD1 4.02Å; F168-F176 HydrophobicContact CB-CE1 4Å; F168-F176 HydrophobicContact CD1-CD1 4.02Å; F168-F176 HydrophobicContact CG-CD1 4.28Å; F168-F176 WeakPolarHBondContact O-CE1 3.21Å; F168-T177 HydrophobicContact CE1-CG2 4.13Å; F168-T177 HydrophobicContact CZ-CG2 3.63Å; F168-T177 WeakPolarHBondContact CZ-OG1 3.48Å; F168-Y196 HydrophobicContact CB-CD1 4.22Å; F168-Y196 HydrophobicContact CB-CG 4.26Å; F168-Y196 AromaticContact CD2-CD1 3.35Å; F168-Y196 HydrophobicContact CD2-CD1 3.35Å; F168-Y196 AromaticContact CD2-CE1 3.74Å; F168-Y196 HydrophobicContact CD2-CE1 3.74Å; F168-Y196 AromaticContact CD2-CG 3.96Å; F168-Y196 HydrophobicContact CD2-CG 3.96Å; F168-Y196 AromaticContact CE2-CD1 3.93Å; F168-Y196 HydrophobicContact CE2-CD1 3.93Å; F168-Y196 AromaticContact CE2-CE1 3.84Å; F168-Y196 HydrophobicContact CE2-CE1 3.84Å; F168-Y196 AromaticContact CG-CD1 3.98Å; F168-Y196 HydrophobicContact CG-CD1 3.98Å; F168-Y196 HydrophobicContact CG-CG 4.17Å |
| 169 | Y | 97.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 35% | 0.345 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19 | -175.1 | 71.9 | -83.6 | 0 | 0 | 0 | 115.1 | H165 P166 P253 W257 V267 | H165-Y169 PolarHBondContact O-N 3.36Å; P166-Y169 WeakPolarHBondContact O-CD1 3.42Å; P166-Y169 WeakPolarHBondContact O-CE1 3.25Å; Y169-P253 HydrophobicContact CD1-CB 4.4Å; Y169-P253 HydrophobicContact CD1-CG 3.71Å; Y169-P253 HydrophobicContact CD2-CG 4.19Å; Y169-P253 HydrophobicContact CE1-CG 4.42Å; Y169-P253 HydrophobicContact CG-CG 3.57Å; Y169-W257 HydrophobicContact CD1-CZ3 4.28Å; Y169-W257 AromaticContact CE1-CH2 3.74Å; Y169-W257 HydrophobicContact CE1-CH2 3.74Å; Y169-W257 AromaticContact CE1-CZ3 3.71Å; Y169-W257 HydrophobicContact CE1-CZ3 3.71Å; Y169-V267 HydrophobicContact CE2-CG1 4.2Å |
| 170 | G | 96.9 | Very high | 98.4 | Very high | 72 Ų | 72 | 38 Ų | 38 | 74% | 0.742 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 4.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F168 | F168-G170 PolarHBondContact O-N 2.82Š|
| 171 | S | 98.1 | Very high | 98.4 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -87.8 | 154.4 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 112 | F168 F176 | F168-S171 WeakPolarHBondContact O-CB 3.45Å; F168-S171 PolarHBondContact O-N 2.88Å; S171-F176 WeakPolarHBondContact O-CE1 3.49Å |
| 172 | S | 98.3 | Very high | 98.4 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | -76.9 | 155.8 | 169.9 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | E174 A175 F176 | S172-E174 VanDerWaalsContact CB-CD 3.41Å; S172-E174 WeakPolarHBondContact CB-OE1 3.13Å; S172-E174 WeakPolarHBondContact CB-OE2 3.47Å; S172-E174 PolarHBondContact O-N 3Å; S172-E174 PolarHBondContact OG-OE1 2.84Å; S172-E174 PolarHBondContact OG-OE2 2.87Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 3.4Å; S172-F176 PolarHBondContact O-N 2.74Å | ||
| 173 | R | 97.9 | Very high | 98.3 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 46% | 0.457 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.6 | -170.5 | 71.2 | 171.9 | 70.7 | 88.9 | -1.3 | 114.2 | A175 F176 R180 D191 G193 | R173-A175 VanDerWaalsContact C-N 3.25Å; R173-A175 PolarHBondContact O-N 2.81Å; R173-F176 VanDerWaalsContact CA-CD2 3.48Å; R173-F176 HydrophobicContact CB-CD2 3.96Å; R173-F176 HydrophobicContact CB-CE2 3.97Å; R173-F176 WeakPolarHBondContact O-CB 3.36Å; R173-F176 PolarHBondContact O-N 2.84Å; R173-R180 PolarHBondContact O-NH2 2.9Å; R173-D191 WeakPolarHBondContact CD-O 3.27Å; R173-G193 PolarHBondContact NE-O 2.99Å |
| 174 | E | 97.1 | Very high | 98.3 | Very high | 97 Ų | 97 | 53 Ų | 53 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.9 | 177.2 | 63.3 | -83.1 | -171.3 | 0 | 0 | 112.2 | S172 K190 | S172-E174 VanDerWaalsContact CB-CD 3.41Å; S172-E174 WeakPolarHBondContact CB-OE1 3.13Å; S172-E174 WeakPolarHBondContact CB-OE2 3.47Å; S172-E174 PolarHBondContact O-N 3Å; S172-E174 PolarHBondContact OG-OE1 2.84Å; S172-E174 PolarHBondContact OG-OE2 2.87Å; E174-K190 HydrophobicContact CB-CD 4.15Å; E174-K190 PolarHBondContact O-NZ 3.48Å |
| 175 | A | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -16.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S172 R173 T177 | S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 3.4Å; R173-A175 VanDerWaalsContact C-N 3.25Å; R173-A175 PolarHBondContact O-N 2.81Å; A175-T177 PolarHBondContact O-N 3.09Å |
| 176 | F | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -59 | 134.5 | 173.9 | -65.7 | -16.8 | 0 | 0 | 0 | 111.2 | F168 S171 S172 R173 Y178 R180 Y196 | F168-F176 HydrophobicContact CB-CD1 4.02Å; F168-F176 HydrophobicContact CB-CE1 4Å; F168-F176 HydrophobicContact CD1-CD1 4.02Å; F168-F176 HydrophobicContact CG-CD1 4.28Å; F168-F176 WeakPolarHBondContact O-CE1 3.21Å; S171-F176 WeakPolarHBondContact O-CE1 3.49Å; S172-F176 PolarHBondContact O-N 2.74Å; R173-F176 VanDerWaalsContact CA-CD2 3.48Å; R173-F176 HydrophobicContact CB-CD2 3.96Å; R173-F176 HydrophobicContact CB-CE2 3.97Å; R173-F176 WeakPolarHBondContact O-CB 3.36Å; R173-F176 PolarHBondContact O-N 2.84Å; F176-Y178 HydrophobicContact CB-CD1 4.47Å; F176-Y178 HydrophobicContact CB-CD2 4.02Å; F176-Y178 HydrophobicContact CB-CE1 4.34Å; F176-Y178 HydrophobicContact CB-CE2 3.88Å; F176-Y178 HydrophobicContact CB-CG 4.31Å; F176-Y178 HydrophobicContact CD2-CE1 4.38Å; F176-Y178 AromaticContact CD2-CE2 3.62Å; F176-Y178 HydrophobicContact CD2-CE2 3.62Å; F176-Y178 AromaticContact CD2-CZ 3.52Å; F176-Y178 VanDerWaalsContact CD2-OH 3.29Å; F176-Y178 WeakPolarHBondContact CD2-OH 3.35Å; F176-Y178 HydrophobicContact CG-CE2 4.26Å; F176-Y178 PolarHBondContact O-N 2.95Å; F176-R180 PolarHBondContact O-NH2 3.24Å; F176-Y196 HydrophobicContact CB-CD2 3.79Å; F176-Y196 HydrophobicContact CB-CG 4.41Å; F176-Y196 HydrophobicContact CD1-CG 4.47Å; F176-Y196 HydrophobicContact CG-CD2 4.2Å; F176-Y196 HydrophobicContact CG-CG 4.39Å |
| 177 | T | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | trans | -83.3 | 37.7 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | F168 A175 Y196 W232 | F168-T177 HydrophobicContact CE1-CG2 4.13Å; F168-T177 HydrophobicContact CZ-CG2 3.63Å; F168-T177 WeakPolarHBondContact CZ-OG1 3.48Å; A175-T177 PolarHBondContact O-N 3.09Å; T177-Y196 WeakPolarHBondContact OG1-CE2 3.49Å; T177-Y196 PolarHBondContact OG1-OH 3.01Å; T177-Y196 VanDerWaalsContact OG1-OH 3.08Å; T177-W232 VanDerWaalsContact CB-NE1 3.27Å; T177-W232 PolarHBondContact OG1-NE1 2.62Å | ||
| 178 | Y | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | trans | -58 | 158.4 | 171 | -56.8 | -44.3 | 0 | 0 | 0 | 111.2 | F176 R180 I188 F195 Y196 N239 | F176-Y178 HydrophobicContact CB-CD1 4.47Å; F176-Y178 HydrophobicContact CB-CD2 4.02Å; F176-Y178 HydrophobicContact CB-CE1 4.34Å; F176-Y178 HydrophobicContact CB-CE2 3.88Å; F176-Y178 HydrophobicContact CB-CG 4.31Å; F176-Y178 HydrophobicContact CD2-CE1 4.38Å; F176-Y178 AromaticContact CD2-CE2 3.62Å; F176-Y178 HydrophobicContact CD2-CE2 3.62Å; F176-Y178 AromaticContact CD2-CZ 3.52Å; F176-Y178 VanDerWaalsContact CD2-OH 3.29Å; F176-Y178 WeakPolarHBondContact CD2-OH 3.35Å; F176-Y178 HydrophobicContact CG-CE2 4.26Å; F176-Y178 PolarHBondContact O-N 2.95Å; Y178-R180 WeakPolarHBondContact O-CD 3.41Å; Y178-R180 VanDerWaalsContact O-CG 3.3Å; Y178-R180 WeakPolarHBondContact O-CG 3.32Å; Y178-R180 PolarHBondContact O-N 3.26Å; Y178-R180 PolarHBondContact O-NE 3.21Å; Y178-I188 HydrophobicContact CD1-CD1 3.74Å; Y178-I188 HydrophobicContact CD2-CB 3.81Å; Y178-I188 HydrophobicContact CD2-CD1 3.87Å; Y178-I188 HydrophobicContact CD2-CG1 4.44Å; Y178-I188 HydrophobicContact CD2-CG2 3.61Å; Y178-I188 HydrophobicContact CE1-CD1 4.02Å; Y178-I188 HydrophobicContact CE2-CD1 4.14Å; Y178-I188 HydrophobicContact CE2-CG2 3.92Å; Y178-I188 HydrophobicContact CG-CB 4.06Å; Y178-I188 HydrophobicContact CG-CD1 3.66Å; Y178-I188 HydrophobicContact CG-CG1 4.39Å; Y178-I188 HydrophobicContact CG-CG2 4.35Å; Y178-F195 PolarHBondContact OH-O 3Å; Y178-Y196 AromaticContact CD1-CD2 3.5Å; Y178-Y196 HydrophobicContact CD1-CD2 3.5Å; Y178-Y196 AromaticContact CD1-CE2 3.63Å; Y178-Y196 HydrophobicContact CD1-CE2 3.63Å; Y178-Y196 AromaticContact CE1-CD2 3.36Å; Y178-Y196 HydrophobicContact CE1-CD2 3.36Å; Y178-Y196 AromaticContact CE1-CE2 3.97Å; Y178-Y196 HydrophobicContact CE1-CE2 3.97Å; Y178-Y196 HydrophobicContact CE1-CG 4.31Å; Y178-Y196 HydrophobicContact CG-CD2 4.45Å; Y178-N239 HydrophobicContact CD1-CB 3.81Å; Y178-N239 HydrophobicContact CE1-CB 3.67Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.48Å | ||
| 179 | E | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | trans | -60.5 | 125.4 | 167 | 179.2 | 54.5 | -106.2 | 0 | 0 | 110.2 | R181 A186 Y187 I188 A230 V231 | E179-R181 WeakPolarHBondContact OE1-CB 3.38Å; E179-R181 WeakPolarHBondContact OE1-CG 3.35Å; E179-R181 IonicContact OE1-CZ 3.6Å; E179-R181 PolarHBondContact OE1-N 2.96Å; E179-R181 IonicContact OE1-NE 2.68Å; E179-R181 PolarHBondContact OE1-NE 3.38Å; E179-R181 IonicContact OE1-NH2 3.3Å; E179-R181 IonicContact OE2-CZ 3.56Å; E179-R181 IonicContact OE2-NE 2.63Å; E179-R181 PolarHBondContact OE2-NE 3.37Å; E179-R181 IonicContact OE2-NH2 3.81Å; E179-R181 PolarHBondContact OE2-NH2 3.09Å; E179-A186 HydrophobicContact CB-CB 3.82Å; E179-A186 HydrophobicContact CG-CB 4.21Å; E179-Y187 WeakPolarHBondContact O-CA 3.37Å; E179-I188 PolarHBondContact O-N 3.31Å; E179-A230 WeakPolarHBondContact OE2-CA 3.4Å; E179-V231 HydrophobicContact CB-CG1 4.31Å; E179-V231 PolarHBondContact OE2-N 3.24Å | ||
| 180 | R | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | trans | -112.8 | -4.3 | -175.2 | -55.7 | -49.5 | -176.2 | 160.8 | 3.3 | 113.2 | R173 F176 Y178 P182 Y187 I188 P189 | R173-R180 PolarHBondContact O-NH2 2.9Å; F176-R180 PolarHBondContact O-NH2 3.24Å; Y178-R180 WeakPolarHBondContact O-CD 3.41Å; Y178-R180 VanDerWaalsContact O-CG 3.3Å; Y178-R180 WeakPolarHBondContact O-CG 3.32Å; Y178-R180 PolarHBondContact O-N 3.26Å; Y178-R180 PolarHBondContact O-NE 3.21Å; R180-P182 WeakPolarHBondContact O-CD 3.3Å; R180-Y187 VanDerWaalsContact C-CD2 3.47Å; R180-Y187 WeakPolarHBondContact O-CD2 3.4Å; R180-Y187 WeakPolarHBondContact O-CE2 3.42Å; R180-I188 WeakPolarHBondContact CD-O 3.5Å; R180-I188 PolarHBondContact NH1-O 3.48Å; R180-P189 VanDerWaalsContact NH1-C 3.28Å; R180-P189 PolarHBondContact NH1-O 3.21Å | ||
| 181 | R | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | trans | -80.9 | 114.4 | 173.7 | -65.5 | 172.2 | -68 | 172.2 | 1.6 | 109.2 | E179 Q183 S184 I228 E229 | E179-R181 WeakPolarHBondContact OE1-CB 3.38Å; E179-R181 WeakPolarHBondContact OE1-CG 3.35Å; E179-R181 IonicContact OE1-CZ 3.6Å; E179-R181 PolarHBondContact OE1-N 2.96Å; E179-R181 IonicContact OE1-NE 2.68Å; E179-R181 PolarHBondContact OE1-NE 3.38Å; E179-R181 IonicContact OE1-NH2 3.3Å; E179-R181 IonicContact OE2-CZ 3.56Å; E179-R181 IonicContact OE2-NE 2.63Å; E179-R181 PolarHBondContact OE2-NE 3.37Å; E179-R181 IonicContact OE2-NH2 3.81Å; E179-R181 PolarHBondContact OE2-NH2 3.09Å; R181-Q183 PolarHBondContact O-N 3.02Å; R181-S184 PolarHBondContact O-N 2.92Å; R181-S184 VanDerWaalsContact O-N 3.09Å; R181-I228 HydrophobicContact CB-CD1 4.12Å; R181-E229 PolarHBondContact NH2-O 3.31Å | ||
| 182 | P | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.7 | -177.9 | -24 | 35.2 | 0 | 0 | 0 | 114.9 | R180 S184 Y187 | R180-P182 WeakPolarHBondContact O-CD 3.3Å; P182-S184 VanDerWaalsContact C-N 3.28Å; P182-Y187 HydrophobicContact CB-CD1 4.29Å; P182-Y187 HydrophobicContact CB-CE1 4.31Å; P182-Y187 HydrophobicContact CB-CG 4.4Å; P182-Y187 HydrophobicContact CG-CD2 4.34Å; P182-Y187 HydrophobicContact CG-CE1 4.38Å; P182-Y187 HydrophobicContact CG-CE2 4.01Å |
| 183 | Q | 98.7 | Very high | 98.5 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.3 | 177.5 | -59.1 | 80.1 | 6 | 0 | 0 | 112.8 | R181 I228 | R181-Q183 PolarHBondContact O-N 3.02Å; Q183-I228 HydrophobicContact CB-CD1 4.07Å |
| 184 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -86.7 | 142.2 | 178.9 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | R181 P182 A186 Y187 D223 | R181-S184 PolarHBondContact O-N 2.92Å; R181-S184 VanDerWaalsContact O-N 3.09Å; P182-S184 VanDerWaalsContact C-N 3.28Å; S184-A186 PolarHBondContact O-N 2.91Å; S184-A186 WeakPolarHBondContact OG-CB 3.28Å; S184-A186 PolarHBondContact OG-N 2.82Å; S184-Y187 VanDerWaalsContact O-CB 3.23Å; S184-Y187 WeakPolarHBondContact O-CB 3.46Å; S184-Y187 PolarHBondContact O-N 2.82Å; S184-D223 WeakPolarHBondContact CA-OD1 3.34Å; S184-D223 WeakPolarHBondContact CB-OD2 3.26Å; S184-D223 PolarHBondContact OG-OD2 3.4Å |
| 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 | -59.4 | -25.1 | 170.2 | -64.8 | -53 | -61.7 | 0 | 0 | 112.5 | Y187 A219 V222 D223 K240 | Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 3.17Å; Q185-A219 HydrophobicContact CB-CB 3.81Å; Q185-A219 HydrophobicContact CG-CB 4.33Å; Q185-V222 HydrophobicContact CG-CB 3.8Å; Q185-V222 HydrophobicContact CG-CG1 3.62Å; Q185-D223 WeakPolarHBondContact CG-OD1 3.27Å; Q185-D223 PolarHBondContact N-OD1 2.98Å; Q185-D223 PolarHBondContact N-OD2 3.35Å; Q185-K240 WeakPolarHBondContact O-CG 3.33Å; Q185-K240 PolarHBondContact O-NZ 3.02Å |
| 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 | -79.8 | -1.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E179 S184 I188 A230 | E179-A186 HydrophobicContact CB-CB 3.82Å; E179-A186 HydrophobicContact CG-CB 4.21Å; S184-A186 PolarHBondContact O-N 2.91Å; S184-A186 WeakPolarHBondContact OG-CB 3.28Å; S184-A186 PolarHBondContact OG-N 2.82Å; A186-I188 PolarHBondContact O-N 2.97Å; A186-A230 HydrophobicContact CB-CB 3.92Å |
| 187 | Y | 98.9 | Very high | 98.7 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | trans | -54.6 | 131.7 | -176.7 | 174.6 | -117.2 | 0 | 0 | 0 | 113.5 | E179 R180 P182 S184 Q185 P189 K240 | E179-Y187 WeakPolarHBondContact O-CA 3.37Å; R180-Y187 VanDerWaalsContact C-CD2 3.47Å; R180-Y187 WeakPolarHBondContact O-CD2 3.4Å; R180-Y187 WeakPolarHBondContact O-CE2 3.42Å; P182-Y187 HydrophobicContact CB-CD1 4.29Å; P182-Y187 HydrophobicContact CB-CE1 4.31Å; P182-Y187 HydrophobicContact CB-CG 4.4Å; P182-Y187 HydrophobicContact CG-CD2 4.34Å; P182-Y187 HydrophobicContact CG-CE1 4.38Å; P182-Y187 HydrophobicContact CG-CE2 4.01Å; S184-Y187 VanDerWaalsContact O-CB 3.23Å; S184-Y187 WeakPolarHBondContact O-CB 3.46Å; S184-Y187 PolarHBondContact O-N 2.82Å; Q185-Y187 VanDerWaalsContact C-N 3.26Å; Q185-Y187 PolarHBondContact O-N 3.17Å; Y187-P189 HydrophobicContact CE1-CG 3.71Å; Y187-K240 PolarHBondContact O-NZ 3.36Å | ||
| 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 | -130.4 | 123.8 | 170.2 | -60.5 | 171.6 | 0 | 0 | 0 | 109.1 | Y178 E179 R180 A186 E192 N239 K240 L243 | Y178-I188 HydrophobicContact CD1-CD1 3.74Å; Y178-I188 HydrophobicContact CD2-CB 3.81Å; Y178-I188 HydrophobicContact CD2-CD1 3.87Å; Y178-I188 HydrophobicContact CD2-CG1 4.44Å; Y178-I188 HydrophobicContact CD2-CG2 3.61Å; Y178-I188 HydrophobicContact CE1-CD1 4.02Å; Y178-I188 HydrophobicContact CE2-CD1 4.14Å; Y178-I188 HydrophobicContact CE2-CG2 3.92Å; Y178-I188 HydrophobicContact CG-CB 4.06Å; Y178-I188 HydrophobicContact CG-CD1 3.66Å; Y178-I188 HydrophobicContact CG-CG1 4.39Å; Y178-I188 HydrophobicContact CG-CG2 4.35Å; E179-I188 PolarHBondContact O-N 3.31Å; R180-I188 WeakPolarHBondContact CD-O 3.5Å; R180-I188 PolarHBondContact NH1-O 3.48Å; A186-I188 PolarHBondContact O-N 2.97Å; I188-E192 HydrophobicContact CG2-CB 3.86Å; I188-N239 HydrophobicContact CD1-CB 4.28Å; 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 4Å; I188-L243 HydrophobicContact CG1-CD2 3.89Å; I188-L243 HydrophobicContact CG2-CD2 3.74Å | ||
| 189 | P | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | trans | -58.3 | 159.1 | 173.1 | -28.1 | 37.5 | 0 | 0 | 0 | 114.3 | R180 Y187 D191 E192 | R180-P189 VanDerWaalsContact NH1-C 3.28Å; R180-P189 PolarHBondContact NH1-O 3.21Å; Y187-P189 HydrophobicContact CE1-CG 3.71Å; P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.47Å; P189-D191 PolarHBondContact O-N 3.38Å; P189-E192 HydrophobicContact CB-CB 4.38Å; P189-E192 HydrophobicContact CB-CG 4.25Å; P189-E192 HydrophobicContact CG-CG 4.31Å; P189-E192 WeakPolarHBondContact CG-OE1 3.45Å; P189-E192 PolarHBondContact O-N 3.19Å | ||
| 190 | K | 98.3 | Very high | 98.2 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 52% | 0.522 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26.3 | -176.6 | -79.3 | -75.5 | -174.8 | 172.9 | 0 | 113.6 | E174 | E174-K190 HydrophobicContact CB-CD 4.15Å; E174-K190 PolarHBondContact O-NZ 3.48Å |
| 191 | D | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 43.7 Ų | 43.7 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7.8 | 178.6 | 58.5 | -26.6 | 0 | 0 | 0 | 113.5 | R173 P189 | R173-D191 WeakPolarHBondContact CD-O 3.27Å; P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.47Å; P189-D191 PolarHBondContact O-N 3.38Å |
| 192 | E | 98.8 | Very high | 98.2 | Very high | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | trans | -99.8 | 156.9 | 173.3 | -68.9 | -169.1 | -125.3 | 0 | 0 | 112.3 | I188 P189 L243 R244 | I188-E192 HydrophobicContact CG2-CB 3.86Å; P189-E192 HydrophobicContact CB-CB 4.38Å; P189-E192 HydrophobicContact CB-CG 4.25Å; P189-E192 HydrophobicContact CG-CG 4.31Å; P189-E192 WeakPolarHBondContact CG-OE1 3.45Å; P189-E192 PolarHBondContact O-N 3.19Å; E192-L243 HydrophobicContact CB-CD2 4.31Å; E192-R244 IonicContact OE1-NH2 3.36Å; E192-R244 PolarHBondContact OE1-NH2 2.71Å; E192-R244 IonicContact OE2-CZ 3.6Å; E192-R244 IonicContact OE2-NH1 3.27Å; E192-R244 PolarHBondContact OE2-NH1 3.03Å; E192-R244 IonicContact OE2-NH2 2.62Å; E192-R244 PolarHBondContact OE2-NH2 3.11Å | ||
| 193 | G | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | trans | 121.5 | 128.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | R173 | R173-G193 PolarHBondContact NE-O 2.99Š| ||
| 194 | D | 98.7 | Very high | 98.2 | Very high | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -90.8 | -53.3 | 173.2 | -47 | -80 | 0 | 0 | 0 | 110.8 | W22 K246 | W22-D194 HydrophobicContact CH2-CB 3.75Å; W22-D194 HydrophobicContact CZ3-CB 3.7Å; W22-D194 VanDerWaalsContact CZ3-CG 3.48Å; W22-D194 WeakPolarHBondContact CZ3-OD1 3.33Å; D194-K246 IonicContact OD1-NZ 2.78Å; D194-K246 IonicContact OD2-NZ 3.68Å; D194-K246 PolarHBondContact OD2-NZ 3.18Å |
| 195 | F | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | trans | -146.8 | 154.4 | -177.9 | -57.5 | -77.1 | 0 | 0 | 0 | 110.7 | L17 T20 W22 I26 L164 Y178 Y197 | L17-F195 HydrophobicContact CD2-CZ 4.27Å; T20-F195 HydrophobicContact CG2-CE2 3.87Å; T20-F195 HydrophobicContact CG2-CZ 4.28Å; W22-F195 AromaticContact CH2-CD2 3.9Å; W22-F195 HydrophobicContact CH2-CD2 3.9Å; W22-F195 AromaticContact CH2-CE2 3.63Å; W22-F195 HydrophobicContact CH2-CE2 3.63Å; W22-F195 HydrophobicContact CZ2-CE2 4.38Å; W22-F195 HydrophobicContact CZ3-CE2 4.27Å; I26-F195 HydrophobicContact CD1-CE1 4.39Å; I26-F195 HydrophobicContact CD1-CZ 3.86Å; L164-F195 HydrophobicContact CD2-CB 3.47Å; L164-F195 VanDerWaalsContact CD2-CB 3.47Å; L164-F195 HydrophobicContact CD2-CD1 3.45Å; L164-F195 VanDerWaalsContact CD2-CD1 3.45Å; L164-F195 HydrophobicContact CD2-CD2 4.3Å; L164-F195 HydrophobicContact CD2-CE1 4.23Å; L164-F195 HydrophobicContact CD2-CG 3.48Å; L164-F195 VanDerWaalsContact CD2-CG 3.48Å; Y178-F195 PolarHBondContact OH-O 3Å; F195-Y197 HydrophobicContact CB-CD1 4.43Å; F195-Y197 HydrophobicContact CB-CE1 3.97Å; F195-Y197 HydrophobicContact CB-CE2 4.18Å; F195-Y197 HydrophobicContact CD2-CE1 4.25Å; F195-Y197 AromaticContact CD2-CZ 3.93Å; F195-Y197 WeakPolarHBondContact CD2-OH 3.29Å; F195-Y197 HydrophobicContact CG-CE1 4.48Å; F195-Y197 WeakPolarHBondContact O-CD2 3.33Å | ||
| 196 | Y | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | trans | -89.7 | 108.7 | 166.9 | -163.4 | -95.7 | 0 | 0 | 0 | 109.9 | H165 F168 F176 T177 Y178 W232 E235 | H165-Y196 HydrophobicContact CB-CD1 3.57Å; H165-Y196 HydrophobicContact CB-CE1 4.23Å; H165-Y196 WeakPolarHBondContact CB-O 3.34Å; H165-Y196 AromaticContact CD2-CE1 3.77Å; H165-Y196 AromaticContact CG-CD1 3.8Å; H165-Y196 PolarHBondContact N-O 3.46Å; F168-Y196 HydrophobicContact CB-CD1 4.22Å; F168-Y196 HydrophobicContact CB-CG 4.26Å; F168-Y196 AromaticContact CD2-CD1 3.35Å; F168-Y196 HydrophobicContact CD2-CD1 3.35Å; F168-Y196 AromaticContact CD2-CE1 3.74Å; F168-Y196 HydrophobicContact CD2-CE1 3.74Å; F168-Y196 AromaticContact CD2-CG 3.96Å; F168-Y196 HydrophobicContact CD2-CG 3.96Å; F168-Y196 AromaticContact CE2-CD1 3.93Å; F168-Y196 HydrophobicContact CE2-CD1 3.93Å; F168-Y196 AromaticContact CE2-CE1 3.84Å; F168-Y196 HydrophobicContact CE2-CE1 3.84Å; F168-Y196 AromaticContact CG-CD1 3.98Å; F168-Y196 HydrophobicContact CG-CD1 3.98Å; F168-Y196 HydrophobicContact CG-CG 4.17Å; F176-Y196 HydrophobicContact CB-CD2 3.79Å; F176-Y196 HydrophobicContact CB-CG 4.41Å; F176-Y196 HydrophobicContact CD1-CG 4.47Å; F176-Y196 HydrophobicContact CG-CD2 4.2Å; F176-Y196 HydrophobicContact CG-CG 4.39Å; T177-Y196 WeakPolarHBondContact OG1-CE2 3.49Å; T177-Y196 PolarHBondContact OG1-OH 3.01Å; 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 3.63Å; Y178-Y196 HydrophobicContact CD1-CE2 3.63Å; Y178-Y196 AromaticContact CE1-CD2 3.36Å; Y178-Y196 HydrophobicContact CE1-CD2 3.36Å; Y178-Y196 AromaticContact CE1-CE2 3.97Å; Y178-Y196 HydrophobicContact CE1-CE2 3.97Å; Y178-Y196 HydrophobicContact CE1-CG 4.31Å; Y178-Y196 HydrophobicContact CG-CD2 4.45Å; Y196-W232 VanDerWaalsContact OH-CD1 3.28Å; Y196-E235 WeakPolarHBondContact CE1-OE1 3.39Å; Y196-E235 PolarHBondContact OH-OE1 3.31Å | ||
| 197 | Y | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 149.3 | -179.3 | -56.5 | -76 | 0 | 0 | 0 | 111.6 | T163 F195 E235 N239 L242 P247 V250 | T163-Y197 CarbonylContact O-C 3.55Å; T163-Y197 VanDerWaalsContact O-CA 3.23Å; T163-Y197 WeakPolarHBondContact O-CA 3.45Å; F195-Y197 HydrophobicContact CB-CD1 4.43Å; F195-Y197 HydrophobicContact CB-CE1 3.97Å; F195-Y197 HydrophobicContact CB-CE2 4.18Å; F195-Y197 HydrophobicContact CD2-CE1 4.25Å; F195-Y197 AromaticContact CD2-CZ 3.93Å; F195-Y197 WeakPolarHBondContact CD2-OH 3.29Å; F195-Y197 HydrophobicContact CG-CE1 4.48Å; F195-Y197 WeakPolarHBondContact O-CD2 3.33Å; Y197-E235 WeakPolarHBondContact O-CG 3.4Å; Y197-N239 PolarHBondContact N-OD1 2.88Å; Y197-N239 PolarHBondContact O-ND2 2.75Å; Y197-L242 HydrophobicContact CD1-CD1 4.05Å; Y197-L242 HydrophobicContact CD2-CB 3.79Å; Y197-L242 HydrophobicContact CD2-CD1 3.61Å; Y197-L242 HydrophobicContact CD2-CG 4.36Å; Y197-L242 HydrophobicContact CE1-CD1 4.47Å; Y197-L242 HydrophobicContact CE2-CB 3.68Å; Y197-L242 HydrophobicContact CE2-CD1 4.08Å; Y197-L242 HydrophobicContact CG-CD1 3.57Å; Y197-P247 HydrophobicContact CE1-CG 4.23Å; Y197-V250 HydrophobicContact CE1-CG1 4.01Å; Y197-V250 HydrophobicContact CE1-CG2 4.07Å |
| 198 | L | 94.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.8 | -176.5 | -156 | 150.8 | 0 | 0 | 0 | 112.8 | T163 H165 P166 G200 E235 L238 L256 | T163-L198 PolarHBondContact O-N 2.76Å; H165-L198 HydrophobicContact CB-CB 4.18Å; H165-L198 HydrophobicContact CB-CD1 4.2Å; H165-L198 VanDerWaalsContact CD2-CD1 3.43Å; H165-L198 WeakPolarHBondContact CD2-CD1 3.42Å; P166-L198 HydrophobicContact CG-CD1 4.3Å; L198-G200 VanDerWaalsContact CD2-CA 3.45Å; L198-G200 PolarHBondContact O-N 2.81Å; L198-E235 VanDerWaalsContact CA-OE2 3.3Å; L198-E235 WeakPolarHBondContact CA-OE2 3.48Å; L198-L238 VanDerWaalsContact O-CD2 3.26Å; L198-L238 WeakPolarHBondContact O-CD2 3.47Å; L198-L256 HydrophobicContact CB-CD1 4.48Å; L198-L256 HydrophobicContact CD1-CD1 3.73Å; L198-L256 HydrophobicContact CD1-CD2 3.35Å; L198-L256 HydrophobicContact CD1-CG 4.03Å; L198-L256 HydrophobicContact CD2-CD1 3.34Å; L198-L256 HydrophobicContact CD2-CD2 4.34Å; L198-L256 HydrophobicContact CD2-CG 4.44Å; L198-L256 HydrophobicContact CG-CD1 4.03Å; L198-L256 HydrophobicContact CG-CD2 4.47Å |
| 199 | G | 95.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -14.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R120 E235 | R120-G199 PolarHBondContact NH2-O 3.44Å; G199-E235 PolarHBondContact N-OE2 3.42Å |
| 200 | G | 95.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 3.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V142 D143 L198 | V142-G200 CarbonylContact C-O 3.5Å; V142-G200 WeakPolarHBondContact CA-O 3.49Å; D143-G200 VanDerWaalsContact CG-CA 3.42Å; D143-G200 PolarHBondContact N-O 3.19Å; D143-G200 WeakPolarHBondContact OD2-CA 3.1Å; L198-G200 VanDerWaalsContact CD2-CA 3.45Å; L198-G200 PolarHBondContact O-N 2.81Å |
| 201 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 101.8 | 168.6 | -159.7 | -25.3 | 0 | 0 | 0 | 111.7 | V140 C141 V142 V152 I156 F161 T163 L251 Y255 L256 F273 | V140-F201 HydrophobicContact CG1-CD1 4.16Å; V140-F201 HydrophobicContact CG1-CE1 3.49Å; V140-F201 VanDerWaalsContact CG1-CE1 3.49Å; V140-F201 HydrophobicContact CG1-CZ 4.11Å; C141-F201 WeakPolarHBondContact O-CA 3.47Å; V142-F201 HydrophobicContact CG1-CB 4.25Å; V142-F201 HydrophobicContact CG1-CD1 3.71Å; V142-F201 HydrophobicContact CG1-CD2 4Å; V142-F201 HydrophobicContact CG1-CE1 4.05Å; V142-F201 HydrophobicContact CG1-CE2 4.3Å; V142-F201 HydrophobicContact CG1-CG 3.73Å; V142-F201 HydrophobicContact CG1-CZ 4.34Å; V152-F201 HydrophobicContact CG1-CZ 4.07Å; I156-F201 HydrophobicContact CD1-CE1 4.11Å; I156-F201 HydrophobicContact CD1-CZ 4.02Å; F161-F201 AromaticContact CE2-CD1 3.68Å; F161-F201 HydrophobicContact CE2-CD1 3.68Å; F161-F201 AromaticContact CE2-CE1 3.61Å; F161-F201 HydrophobicContact CE2-CE1 3.61Å; F161-F201 HydrophobicContact CZ-CD1 4.23Å; F161-F201 AromaticContact CZ-CE1 3.85Å; F161-F201 HydrophobicContact CZ-CE1 3.85Å; T163-F201 VanDerWaalsContact CB-O 3.28Å; T163-F201 WeakPolarHBondContact CB-O 3.36Å; T163-F201 HydrophobicContact CG2-CB 4.5Å; T163-F201 PolarHBondContact N-O 3.08Å; T163-F201 PolarHBondContact OG1-O 2.65Å; F201-L251 HydrophobicContact CD1-CD1 4.29Å; F201-L251 HydrophobicContact CE1-CD1 3.88Å; F201-L251 HydrophobicContact CZ-CD1 4.08Å; F201-Y255 WeakPolarHBondContact CD2-O 3.23Å; F201-Y255 VanDerWaalsContact CE2-O 3.28Å; F201-Y255 WeakPolarHBondContact CE2-O 3.35Å; F201-L256 HydrophobicContact CB-CD1 3.85Å; F201-F273 AromaticContact CD2-CD1 3.77Å; F201-F273 HydrophobicContact CD2-CD1 3.77Å; F201-F273 HydrophobicContact CD2-CE1 4.12Å; F201-F273 HydrophobicContact CE2-CD1 4.08Å |
| 202 | F | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 173.1 | 171.3 | 64.5 | -88 | 0 | 0 | 0 | 110.3 | M121 I124 C141 F161 L212 T213 L238 | M121-F202 HydrophobicContact CE-CE1 4.06Å; M121-F202 HydrophobicContact CE-CZ 4.03Å; M121-F202 HydrophobicContact SD-CZ 4.09Å; I124-F202 HydrophobicContact CD1-CZ 4.2Å; C141-F202 HydrophobicContact CB-CD1 4.26Å; C141-F202 HydrophobicContact CB-CD2 4.03Å; C141-F202 HydrophobicContact CB-CE1 3.84Å; C141-F202 HydrophobicContact CB-CE2 3.58Å; C141-F202 HydrophobicContact CB-CG 4.35Å; C141-F202 HydrophobicContact CB-CZ 3.48Å; C141-F202 VanDerWaalsContact CB-CZ 3.48Å; C141-F202 PolarHBondContact N-O 3.5Å; C141-F202 PolarHBondContact O-N 2.82Å; C141-F202 VanDerWaalsContact O-N 3.1Å; F161-F202 VanDerWaalsContact CZ-C 3.48Å; F202-L212 HydrophobicContact CD2-CD1 4.42Å; F202-L212 HydrophobicContact CD2-CD2 4.14Å; F202-L212 HydrophobicContact CE2-CD2 3.92Å; F202-T213 HydrophobicContact CE2-CG2 4.01Å; F202-T213 HydrophobicContact CZ-CG2 4.33Å; F202-L238 HydrophobicContact CB-CD1 4.44Å; F202-L238 HydrophobicContact CD1-CD2 4.3Å; F202-L238 HydrophobicContact CG-CD1 4.43Å |
| 203 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -168.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L139 F161 | L139-G203 CarbonylContact O-C 3.6Å; L139-G203 WeakPolarHBondContact O-CA 3.45Å; F161-G203 WeakPolarHBondContact CD1-O 3.26Å; F161-G203 VanDerWaalsContact CZ-CA 3.41Å; F161-G203 VanDerWaalsContact CZ-N 3.32Å; F161-G203 PolarHBondContact N-O 2.94Å; F161-G203 PolarHBondContact O-N 2.8Å |
| 204 | G | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.3 | -166.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y138 L139 T158 P159 V209 | Y138-G204 CarbonylContact C-O 3.1Å; Y138-G204 VanDerWaalsContact CA-O 3.24Å; Y138-G204 WeakPolarHBondContact CA-O 3.13Å; Y138-G204 WeakPolarHBondContact CB-O 3.22Å; L139-G204 PolarHBondContact N-O 3.38Å; L139-G204 PolarHBondContact O-N 2.93Å; T158-G204 CarbonylContact O-C 3.47Å; T158-G204 VanDerWaalsContact O-CA 3.31Å; T158-G204 WeakPolarHBondContact O-CA 3.3Å; P159-G204 CarbonylContact O-C 3.54Å; P159-G204 WeakPolarHBondContact O-CA 3.43Å; G204-V209 VanDerWaalsContact N-CG2 3.32Å |
| 205 | S | 98.9 | Very high | 98.3 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 19% | 0.189 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 154.4 | 163.5 | 72.2 | 0 | 0 | 0 | 0 | 109.1 | D137 T158 P159 Q207 E208 V209 | D137-S205 WeakPolarHBondContact O-CA 3.39Å; T158-S205 PolarHBondContact O-N 2.87Å; P159-S205 PolarHBondContact O-N 2.91Å; S205-Q207 PolarHBondContact O-N 2.88Å; S205-Q207 VanDerWaalsContact O-N 3.12Å; S205-E208 PolarHBondContact O-N 2.87Å; S205-E208 VanDerWaalsContact O-N 3.1Å; S205-E208 PolarHBondContact OG-N 2.8Å; S205-V209 PolarHBondContact O-N 3.46Å |
| 206 | V | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.5 | -38.4 | 179.7 | 180 | 0 | 0 | 0 | 0 | 111.7 | C128 F132 L133 V136 D137 L139 Q210 | C128-V206 HydrophobicContact CB-CG1 4.22Å; F132-V206 HydrophobicContact CB-CG1 3.88Å; F132-V206 HydrophobicContact CB-CG2 4.27Å; L133-V206 HydrophobicContact CB-CG1 4.44Å; L133-V206 HydrophobicContact CD2-CB 4.08Å; L133-V206 HydrophobicContact CD2-CG1 3.6Å; L133-V206 HydrophobicContact CG-CG1 3.72Å; V136-V206 HydrophobicContact CG2-CG2 3.75Å; V136-V206 VanDerWaalsContact O-CG2 3.23Å; V136-V206 WeakPolarHBondContact O-CG2 3.28Å; D137-V206 PolarHBondContact O-N 2.89Å; L139-V206 HydrophobicContact CD1-CB 4.38Å; L139-V206 HydrophobicContact CD1-CG1 4.12Å; L139-V206 HydrophobicContact CD1-CG2 4.14Å; L139-V206 HydrophobicContact CG-CG2 4.13Å; V206-Q210 VanDerWaalsContact O-CB 3.3Å; V206-Q210 WeakPolarHBondContact O-CB 3.18Å; V206-Q210 PolarHBondContact O-N 2.95Å |
| 207 | Q | 98.7 | Very high | 98.3 | Very high | 102 Ų | 102 | 23.3 Ų | 23.3 | 48% | 0.477 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.2 | -175.8 | 177.7 | 53 | 0 | 0 | 112.7 | S205 Q210 R211 | S205-Q207 PolarHBondContact O-N 2.88Å; S205-Q207 VanDerWaalsContact O-N 3.12Å; Q207-Q210 PolarHBondContact O-N 3.15Å; Q207-R211 VanDerWaalsContact CD-NH2 3.29Å; Q207-R211 WeakPolarHBondContact O-CG 3.34Å; Q207-R211 PolarHBondContact O-N 3.16Å |
| 208 | E | 98.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 28.7 Ų | 28.7 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 180 | -71.7 | -58.4 | 108.6 | 0 | 0 | 111.9 | P159 L160 S205 Q210 R211 L212 | P159-E208 HydrophobicContact CB-CG 4.13Å; P159-E208 WeakPolarHBondContact O-CB 3.37Å; P159-E208 VanDerWaalsContact O-CG 3.24Å; P159-E208 WeakPolarHBondContact O-CG 3.18Å; L160-E208 HydrophobicContact CB-CB 4.26Å; L160-E208 HydrophobicContact CB-CG 4.42Å; L160-E208 HydrophobicContact CD1-CB 4.47Å; S205-E208 PolarHBondContact O-N 2.87Å; S205-E208 VanDerWaalsContact O-N 3.1Å; S205-E208 PolarHBondContact OG-N 2.8Å; E208-Q210 VanDerWaalsContact C-N 3.33Å; E208-Q210 PolarHBondContact O-N 2.73Å; E208-R211 PolarHBondContact O-N 3.19Å; E208-R211 WeakPolarHBondContact OE1-CD 3.41Å; E208-R211 IonicContact OE1-CZ 3.41Å; E208-R211 IonicContact OE1-NE 3.72Å; E208-R211 IonicContact OE1-NH1 4Å; E208-R211 PolarHBondContact OE1-NH1 2.83Å; E208-L212 WeakPolarHBondContact O-CB 3.21Å; E208-L212 PolarHBondContact O-N 3.32Å |
| 209 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 174.5 | 174 | 0 | 0 | 0 | 0 | 110.7 | I124 L139 G204 S205 R211 L212 T213 | I124-V209 HydrophobicContact CG2-CG1 3.83Å; L139-V209 HydrophobicContact CB-CB 4.29Å; L139-V209 HydrophobicContact CB-CG1 4.18Å; L139-V209 HydrophobicContact CB-CG2 4.02Å; L139-V209 HydrophobicContact CD1-CB 4.22Å; L139-V209 HydrophobicContact CD1-CG1 3.96Å; G204-V209 VanDerWaalsContact N-CG2 3.32Å; S205-V209 PolarHBondContact O-N 3.46Å; V209-R211 PolarHBondContact O-N 3.04Å; V209-L212 PolarHBondContact O-N 3.44Å; V209-T213 HydrophobicContact CG1-CG2 4.05Å; V209-T213 WeakPolarHBondContact O-CB 3.38Å; V209-T213 VanDerWaalsContact O-CG2 3.25Å; V209-T213 WeakPolarHBondContact O-CG2 3.05Å; V209-T213 PolarHBondContact O-N 3.02Å; V209-T213 PolarHBondContact O-OG1 2.63Å |
| 210 | Q | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 173.3 | -174.2 | -170.5 | 28.4 | 0 | 0 | 111.7 | C128 E129 V206 Q207 E208 T213 R214 | C128-Q210 HydrophobicContact CB-CB 3.8Å; C128-Q210 HydrophobicContact CB-CG 3.82Å; E129-Q210 PolarHBondContact OE1-NE2 2.78Å; V206-Q210 VanDerWaalsContact O-CB 3.3Å; V206-Q210 WeakPolarHBondContact O-CB 3.18Å; V206-Q210 PolarHBondContact O-N 2.95Å; Q207-Q210 PolarHBondContact O-N 3.15Å; E208-Q210 VanDerWaalsContact C-N 3.33Å; E208-Q210 PolarHBondContact O-N 2.73Å; Q210-T213 PolarHBondContact O-OG1 3.33Å; Q210-R214 WeakPolarHBondContact O-CB 3.41Å; Q210-R214 PolarHBondContact O-N 3.24Å |
| 211 | R | 98.9 | Very high | 98.8 | Very high | 123 Ų | 123 | 32 Ų | 32 | 46% | 0.464 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 178.5 | -72.3 | 172.1 | -175.3 | 172.5 | -0 | 111.4 | Q207 E208 V209 A215 | Q207-R211 VanDerWaalsContact CD-NH2 3.29Å; Q207-R211 WeakPolarHBondContact O-CG 3.34Å; Q207-R211 PolarHBondContact O-N 3.16Å; E208-R211 PolarHBondContact O-N 3.19Å; E208-R211 WeakPolarHBondContact OE1-CD 3.41Å; E208-R211 IonicContact OE1-CZ 3.41Å; E208-R211 IonicContact OE1-NE 3.72Å; E208-R211 IonicContact OE1-NH1 4Å; E208-R211 PolarHBondContact OE1-NH1 2.83Å; V209-R211 PolarHBondContact O-N 3.04Å; R211-A215 VanDerWaalsContact O-CB 3.24Å; R211-A215 WeakPolarHBondContact O-CB 3.29Å; R211-A215 PolarHBondContact O-N 2.85Å |
| 212 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -53.8 | 178.9 | 179.2 | 156.5 | 0 | 0 | 0 | 111.7 | M121 L160 F202 E208 V209 A215 C216 L238 Y241 L242 | M121-L212 HydrophobicContact CE-CD2 4.48Å; M121-L212 HydrophobicContact SD-CD2 4.15Å; L160-L212 HydrophobicContact CD1-CD1 3.72Å; F202-L212 HydrophobicContact CD2-CD1 4.42Å; F202-L212 HydrophobicContact CD2-CD2 4.14Å; F202-L212 HydrophobicContact CE2-CD2 3.92Å; E208-L212 WeakPolarHBondContact O-CB 3.21Å; E208-L212 PolarHBondContact O-N 3.32Å; V209-L212 PolarHBondContact O-N 3.44Å; L212-A215 PolarHBondContact O-N 3.16Å; L212-C216 WeakPolarHBondContact O-CB 3.46Å; L212-C216 PolarHBondContact O-N 3.2Å; L212-C216 PolarHBondContact O-SG 3.15Å; L212-L238 HydrophobicContact CD1-CD1 3.74Å; L212-L238 HydrophobicContact CD2-CD1 4.08Å; L212-L238 HydrophobicContact CG-CD1 4.29Å; L212-Y241 VanDerWaalsContact CA-CZ 3.47Å; L212-Y241 HydrophobicContact CB-CD1 3.95Å; L212-Y241 HydrophobicContact CB-CE1 3.58Å; L212-Y241 HydrophobicContact CB-CE2 4.46Å; L212-Y241 HydrophobicContact CD1-CD1 3.74Å; L212-Y241 HydrophobicContact CD1-CE1 3.93Å; L212-Y241 HydrophobicContact CG-CD1 3.63Å; L212-Y241 HydrophobicContact CG-CE1 3.81Å; L212-Y241 HydrophobicContact CG-CG 4.14Å; L212-Y241 PolarHBondContact N-OH 2.99Å; L212-L242 HydrophobicContact CD1-CD2 4.21Å |
| 213 | T | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | -173 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | M121 I124 S125 F202 V209 Q210 C216 H217 | M121-T213 WeakPolarHBondContact O-CB 3.43Å; M121-T213 HydrophobicContact SD-CG2 3.81Å; I124-T213 HydrophobicContact CB-CG2 4.03Å; I124-T213 HydrophobicContact CD1-CG2 4.43Å; I124-T213 HydrophobicContact CG2-CG2 3.78Å; S125-T213 WeakPolarHBondContact CB-OG1 3.19Å; F202-T213 HydrophobicContact CE2-CG2 4.01Å; F202-T213 HydrophobicContact CZ-CG2 4.33Å; V209-T213 HydrophobicContact CG1-CG2 4.05Å; V209-T213 WeakPolarHBondContact O-CB 3.38Å; V209-T213 VanDerWaalsContact O-CG2 3.25Å; V209-T213 WeakPolarHBondContact O-CG2 3.05Å; V209-T213 PolarHBondContact O-N 3.02Å; V209-T213 PolarHBondContact O-OG1 2.63Å; Q210-T213 PolarHBondContact O-OG1 3.33Å; T213-C216 PolarHBondContact O-N 3.4Å; T213-H217 WeakPolarHBondContact O-CB 3.28Å; T213-H217 PolarHBondContact O-N 3.06Å |
| 214 | R | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 172.4 | -178.6 | 173.3 | -62.2 | 164.4 | 3.6 | 112.6 | E129 Q210 H217 Q218 | E129-R214 IonicContact OE1-CZ 4Å; E129-R214 IonicContact OE1-NH1 2.62Å; E129-R214 IonicContact OE1-NH2 3.53Å; E129-R214 PolarHBondContact OE1-NH2 3.13Å; Q210-R214 WeakPolarHBondContact O-CB 3.41Å; Q210-R214 PolarHBondContact O-N 3.24Å; R214-H217 PolarHBondContact O-N 3.18Å; R214-Q218 HydrophobicContact CG-CG 4.45Å; R214-Q218 WeakPolarHBondContact O-CB 3.12Å; R214-Q218 WeakPolarHBondContact O-CG 3.43Å; R214-Q218 PolarHBondContact O-N 3.39Å |
| 215 | A | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 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 3.29Å; R211-A215 PolarHBondContact O-N 2.85Å; L212-A215 PolarHBondContact O-N 3.16Å; A215-Q218 PolarHBondContact O-N 2.88Å; A215-A219 WeakPolarHBondContact O-CB 3.32Å; A215-A219 PolarHBondContact O-N 3.18Å; A215-Y241 HydrophobicContact CB-CD2 3.68Å; A215-Y241 HydrophobicContact CB-CE2 3.64Å |
| 216 | C | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.4 | -67 | 0 | 0 | 0 | 0 | 111.2 | M121 L212 T213 A219 M220 H237 | M121-C216 HydrophobicContact CB-CB 4.36Å; M121-C216 HydrophobicContact CG-CB 3.96Å; M121-C216 HydrophobicContact SD-CB 4.1Å; L212-C216 WeakPolarHBondContact O-CB 3.46Å; L212-C216 PolarHBondContact O-N 3.2Å; L212-C216 PolarHBondContact O-SG 3.15Å; T213-C216 PolarHBondContact O-N 3.4Å; C216-A219 PolarHBondContact O-N 3.39Å; C216-M220 HydrophobicContact CB-CE 4.33Å; C216-M220 WeakPolarHBondContact O-CE 3.18Å; C216-M220 WeakPolarHBondContact O-CG 3.44Å; C216-M220 PolarHBondContact O-N 3.22Å; C216-H237 HydrophobicContact CB-CB 4.08Å |
| 217 | H | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 177.4 | 175.7 | 53.7 | 0 | 0 | 0 | 112.5 | R119 M121 E122 T213 R214 A219 M220 M221 | R119-H217 PolarHBondContact NH1-CE1 3.38Å; M121-H217 HydrophobicContact CB-CB 4.21Å; E122-H217 IonicContact OE2-CE1 3.5Å; E122-H217 PolarHBondContact OE2-CE1 2.99Å; T213-H217 WeakPolarHBondContact O-CB 3.28Å; T213-H217 PolarHBondContact O-N 3.06Å; R214-H217 PolarHBondContact O-N 3.18Å; H217-A219 VanDerWaalsContact C-N 3.32Å; H217-A219 PolarHBondContact O-N 3.06Å; H217-M220 WeakPolarHBondContact O-CB 3.36Å; H217-M220 PolarHBondContact O-N 2.78Å; H217-M220 VanDerWaalsContact O-N 3.17Å; H217-M221 VanDerWaalsContact CE1-SD 3.6Å; H217-M221 WeakPolarHBondContact O-CG 3.2Å; H217-M221 PolarHBondContact O-N 2.76Å |
| 218 | Q | 98.8 | Very high | 98.6 | Very high | 115 Ų | 115 | 47.8 Ų | 47.8 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.3 | -72.6 | 175.1 | -16.5 | 0 | 0 | 111.8 | R214 A215 M220 M221 V222 | R214-Q218 HydrophobicContact CG-CG 4.45Å; R214-Q218 WeakPolarHBondContact O-CB 3.12Å; R214-Q218 WeakPolarHBondContact O-CG 3.43Å; R214-Q218 PolarHBondContact O-N 3.39Å; A215-Q218 PolarHBondContact O-N 2.88Å; Q218-M220 PolarHBondContact O-N 3.16Å; Q218-M221 PolarHBondContact O-N 2.81Å; Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 3.09Å |
| 219 | A | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 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 3.32Å; A215-A219 PolarHBondContact O-N 3.18Å; C216-A219 PolarHBondContact O-N 3.39Å; H217-A219 VanDerWaalsContact C-N 3.32Å; H217-A219 PolarHBondContact O-N 3.06Å; A219-M221 VanDerWaalsContact C-N 3.32Å; A219-M221 PolarHBondContact O-N 3.39Å; A219-V222 PolarHBondContact O-N 3.21Å; A219-D223 PolarHBondContact O-N 2.9Å; A219-H237 WeakPolarHBondContact CB-ND1 3.35Å |
| 220 | M | 98.5 | Very high | 98.6 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 174.1 | -75.2 | -176.6 | -75.3 | 0 | 0 | 112.4 | M118 M121 C216 H217 Q218 D223 Q224 D234 H237 | M118-M220 HydrophobicContact CB-CE 4.44Å; M118-M220 HydrophobicContact CB-SD 3.53Å; M118-M220 VanDerWaalsContact CB-SD 3.53Å; M118-M220 HydrophobicContact CG-SD 3.59Å; M118-M220 VanDerWaalsContact CG-SD 3.59Å; M118-M220 VanDerWaalsContact O-CE 3.29Å; M118-M220 WeakPolarHBondContact O-CE 3.18Å; M118-M220 HydrophobicContact SD-SD 3.94Å; M121-M220 HydrophobicContact CB-CE 3.63Å; M121-M220 HydrophobicContact CG-CE 3.56Å; C216-M220 HydrophobicContact CB-CE 4.33Å; C216-M220 WeakPolarHBondContact O-CE 3.18Å; C216-M220 WeakPolarHBondContact O-CG 3.44Å; C216-M220 PolarHBondContact O-N 3.22Å; H217-M220 WeakPolarHBondContact O-CB 3.36Å; H217-M220 PolarHBondContact O-N 2.78Å; H217-M220 VanDerWaalsContact O-N 3.17Å; Q218-M220 PolarHBondContact O-N 3.16Å; M220-D223 PolarHBondContact O-N 3.48Å; M220-Q224 WeakPolarHBondContact O-CB 3.27Å; M220-Q224 PolarHBondContact O-N 2.68Å; M220-D234 HydrophobicContact SD-CB 4.36Å; M220-H237 WeakPolarHBondContact CG-CD2 3.23Å; M220-H237 VanDerWaalsContact CG-NE2 3.31Å; M220-H237 WeakPolarHBondContact CG-NE2 3.2Å |
| 221 | M | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 176.8 | -63.6 | -54.1 | 85.8 | 0 | 0 | 112.3 | H217 Q218 A219 A225 | H217-M221 VanDerWaalsContact CE1-SD 3.6Å; H217-M221 WeakPolarHBondContact O-CG 3.2Å; H217-M221 PolarHBondContact O-N 2.76Å; Q218-M221 PolarHBondContact O-N 2.81Å; A219-M221 VanDerWaalsContact C-N 3.32Å; A219-M221 PolarHBondContact O-N 3.39Å; M221-A225 WeakPolarHBondContact O-CB 3.26Å; M221-A225 PolarHBondContact O-N 3.26Å |
| 222 | V | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.3 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Q185 Q218 A219 Q224 A225 N226 | Q185-V222 HydrophobicContact CG-CB 3.8Å; Q185-V222 HydrophobicContact CG-CG1 3.62Å; Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 3.09Å; A219-V222 PolarHBondContact O-N 3.21Å; V222-Q224 PolarHBondContact O-N 2.53Å; V222-A225 PolarHBondContact O-N 2.72Å; V222-N226 WeakPolarHBondContact O-CB 3.31Å; V222-N226 PolarHBondContact O-N 3.29Å; V222-N226 PolarHBondContact O-ND2 2.92Å |
| 223 | D | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.1 | -85 | 10.6 | 0 | 0 | 0 | 111.5 | S184 Q185 A219 M220 A225 N226 G227 I228 H237 | S184-D223 WeakPolarHBondContact CA-OD1 3.34Å; S184-D223 WeakPolarHBondContact CB-OD2 3.26Å; S184-D223 PolarHBondContact OG-OD2 3.4Å; Q185-D223 WeakPolarHBondContact CG-OD1 3.27Å; Q185-D223 PolarHBondContact N-OD1 2.98Å; Q185-D223 PolarHBondContact N-OD2 3.35Å; A219-D223 PolarHBondContact O-N 2.9Å; M220-D223 PolarHBondContact O-N 3.48Å; D223-A225 VanDerWaalsContact C-N 3.35Å; D223-A225 PolarHBondContact O-N 2.75Å; D223-N226 CarbonylContact O-C 3.59Å; D223-N226 PolarHBondContact O-N 3.38Å; D223-N226 VanDerWaalsContact O-N 3.09Å; D223-G227 PolarHBondContact O-N 3.02Å; D223-G227 VanDerWaalsContact O-N 3.09Å; D223-I228 CarbonylContact C-O 3.43Å; D223-I228 HydrophobicContact CB-CG2 3.77Å; D223-I228 WeakPolarHBondContact CB-O 3.48Å; D223-I228 WeakPolarHBondContact O-CG2 3.47Å; D223-I228 PolarHBondContact O-N 3.04Å; D223-H237 IonicContact OD2-CE1 3.7Å; D223-H237 PolarHBondContact OD2-CE1 3.12Å; D223-H237 VanDerWaalsContact OD2-CE1 3.27Å; D223-H237 IonicContact OD2-NE2 3.94Å |
| 224 | Q | 97.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.7 | -45.6 | 175 | -174.7 | 179.6 | 16.2 | 0 | 0 | 112 | M220 V222 N226 G227 | M220-Q224 WeakPolarHBondContact O-CB 3.27Å; M220-Q224 PolarHBondContact O-N 2.68Å; V222-Q224 PolarHBondContact O-N 2.53Å; Q224-N226 PolarHBondContact O-N 2.61Å; Q224-G227 PolarHBondContact O-N 3.2Å; Q224-G227 VanDerWaalsContact O-N 3.1Å |
| 225 | A | 98.3 | Very high | 98.4 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.6 | -30 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M221 V222 D223 G227 | M221-A225 WeakPolarHBondContact O-CB 3.26Å; M221-A225 PolarHBondContact O-N 3.26Å; V222-A225 PolarHBondContact O-N 2.72Å; D223-A225 VanDerWaalsContact C-N 3.35Å; D223-A225 PolarHBondContact O-N 2.75Å; A225-G227 VanDerWaalsContact C-N 3.3Å |
| 226 | N | 98.1 | Very high | 98.4 | Very high | 104 Ų | 104 | 48.1 Ų | 48.1 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.1 | 175.5 | -67.8 | -28 | 0 | 0 | 0 | 113.5 | V222 D223 Q224 I228 | V222-N226 WeakPolarHBondContact O-CB 3.31Å; V222-N226 PolarHBondContact O-N 3.29Å; V222-N226 PolarHBondContact O-ND2 2.92Å; D223-N226 CarbonylContact O-C 3.59Å; D223-N226 PolarHBondContact O-N 3.38Å; D223-N226 VanDerWaalsContact O-N 3.09Å; Q224-N226 PolarHBondContact O-N 2.61Å; N226-I228 VanDerWaalsContact C-N 3.31Å; N226-I228 HydrophobicContact CB-CG2 4.29Å; N226-I228 PolarHBondContact O-N 2.84Å |
| 227 | G | 98.1 | Very high | 98.4 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 77% | 0.773 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 27.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D223 Q224 A225 | D223-G227 PolarHBondContact O-N 3.02Å; D223-G227 VanDerWaalsContact O-N 3.09Å; Q224-G227 PolarHBondContact O-N 3.2Å; Q224-G227 VanDerWaalsContact O-N 3.1Å; A225-G227 VanDerWaalsContact C-N 3.3Å |
| 228 | I | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | trans | -122 | 145.7 | 176.9 | -168.9 | 163.8 | 0 | 0 | 0 | 110.4 | R181 Q183 D223 N226 | R181-I228 HydrophobicContact CB-CD1 4.12Å; Q183-I228 HydrophobicContact CB-CD1 4.07Å; D223-I228 CarbonylContact C-O 3.43Å; D223-I228 HydrophobicContact CB-CG2 3.77Å; D223-I228 WeakPolarHBondContact CB-O 3.48Å; D223-I228 WeakPolarHBondContact O-CG2 3.47Å; D223-I228 PolarHBondContact O-N 3.04Å; N226-I228 VanDerWaalsContact C-N 3.31Å; N226-I228 HydrophobicContact CB-CG2 4.29Å; N226-I228 PolarHBondContact O-N 2.84Å | ||
| 229 | E | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | trans | -126.5 | 127.8 | 171.9 | -176 | 174.7 | 99.8 | 0 | 0 | 107.3 | R112 M118 R181 H233 | R112-E229 IonicContact CZ-OE1 3.26Å; R112-E229 IonicContact CZ-OE2 2.8Å; R112-E229 IonicContact NH1-OE1 3.5Å; R112-E229 IonicContact NH1-OE2 3.57Å; R112-E229 PolarHBondContact NH1-OE2 3.02Å; R112-E229 VanDerWaalsContact NH2-CD 3.29Å; R112-E229 IonicContact NH2-OE1 3.56Å; R112-E229 PolarHBondContact NH2-OE1 3.1Å; R112-E229 IonicContact NH2-OE2 3.87Å; R112-E229 PolarHBondContact NH2-OE2 3.23Å; M118-E229 HydrophobicContact CE-CG 4.23Å; M118-E229 WeakPolarHBondContact CE-OE2 3.45Å; M118-E229 HydrophobicContact SD-CG 4.19Å; R181-E229 PolarHBondContact NH2-O 3.31Å; E229-H233 IonicContact OE1-CD2 2.6Å; E229-H233 IonicContact OE1-NE2 2.72Å | ||
| 230 | A | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | trans | -64.7 | 146.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E179 A186 W232 H233 | E179-A230 WeakPolarHBondContact OE2-CA 3.4Å; A186-A230 HydrophobicContact CB-CB 3.92Å; A230-W232 VanDerWaalsContact C-N 3.28Å; A230-W232 PolarHBondContact O-N 3.27Å; A230-W232 VanDerWaalsContact O-N 3.13Å; A230-H233 PolarHBondContact O-N 3.23Å | ||
| 231 | V | 98.3 | Very high | 98.5 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.4 | -169.2 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | E179 | E179-V231 HydrophobicContact CB-CG1 4.31Å; E179-V231 PolarHBondContact OE2-N 3.24Å |
| 232 | W | 98.3 | Very high | 98.5 | Very high | 122 Ų | 122 | 40.7 Ų | 40.7 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 38.8 | 173.9 | -66 | 110.1 | 0 | 0 | 0 | 111.6 | T177 Y196 A230 D234 E235 S236 | T177-W232 VanDerWaalsContact CB-NE1 3.27Å; T177-W232 PolarHBondContact OG1-NE1 2.62Å; Y196-W232 VanDerWaalsContact OH-CD1 3.28Å; A230-W232 VanDerWaalsContact C-N 3.28Å; A230-W232 PolarHBondContact O-N 3.27Å; A230-W232 VanDerWaalsContact O-N 3.13Å; W232-D234 PolarHBondContact O-N 3.44Å; W232-E235 HydrophobicContact CB-CB 4.27Å; W232-E235 WeakPolarHBondContact O-CB 3.11Å; W232-E235 PolarHBondContact O-N 3.08Å; W232-S236 WeakPolarHBondContact CA-OG 3.47Å; W232-S236 PolarHBondContact N-OG 3.12Å; W232-S236 PolarHBondContact O-N 3.02Å |
| 233 | H | 98.3 | Very high | 98.5 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | 53 | -129.5 | 168.5 | -44.5 | 97.2 | 0 | 0 | 0 | 112.1 | W113 Q114 M118 E229 A230 E235 S236 H237 | W113-H233 AromaticContact CH2-CE1 3.26Å; W113-H233 WeakPolarHBondContact CH2-CE1 3.49Å; W113-H233 AromaticContact CH2-ND1 3.65Å; W113-H233 AromaticContact CZ2-CE1 3.87Å; W113-H233 AromaticContact CZ3-CE1 3.91Å; W113-H233 AromaticContact CZ3-ND1 3.89Å; Q114-H233 VanDerWaalsContact CG-CD2 3.46Å; Q114-H233 WeakPolarHBondContact CG-CD2 3.5Å; Q114-H233 WeakPolarHBondContact CG-NE2 3.31Å; M118-H233 HydrophobicContact CG-CB 3.74Å; M118-H233 HydrophobicContact SD-CB 4.17Å; E229-H233 IonicContact OE1-CD2 2.6Å; E229-H233 IonicContact OE1-NE2 2.72Å; A230-H233 PolarHBondContact O-N 3.23Å; H233-E235 VanDerWaalsContact C-N 3.3Å; H233-E235 PolarHBondContact O-N 2.69Å; H233-S236 WeakPolarHBondContact O-CB 3.44Å; H233-S236 PolarHBondContact O-N 3Å; H233-H237 PolarHBondContact O-CD2 3.48Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å |
| 234 | D | 97.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -31.4 | 178.1 | 50.9 | -57.9 | 0 | 0 | 0 | 114.1 | S117 R120 M121 M220 W232 S236 H237 L238 | S117-D234 WeakPolarHBondContact CB-OD1 3.39Å; S117-D234 PolarHBondContact OG-OD1 3.16Å; S117-D234 PolarHBondContact OG-OD2 3.23Å; R120-D234 IonicContact CZ-OD2 2.67Å; R120-D234 IonicContact NE-OD2 3.43Å; R120-D234 IonicContact NH2-OD2 3.81Å; R120-D234 PolarHBondContact NH2-OD2 3.23Å; M121-D234 HydrophobicContact CE-CB 3.93Å; M121-D234 HydrophobicContact CG-CB 4.3Å; M220-D234 HydrophobicContact SD-CB 4.36Å; W232-D234 PolarHBondContact O-N 3.44Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 2.6Å; D234-H237 PolarHBondContact O-N 3.41Å; D234-L238 WeakPolarHBondContact O-CB 3.16Å; D234-L238 PolarHBondContact O-N 3.25Å |
| 235 | E | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -34.7 | 177.1 | -178.1 | 173.6 | 96.3 | 0 | 0 | 111.8 | H165 Y196 Y197 L198 G199 W232 H233 L238 N239 | H165-E235 IonicContact CD2-OE2 3.26Å; Y196-E235 WeakPolarHBondContact CE1-OE1 3.39Å; Y196-E235 PolarHBondContact OH-OE1 3.31Å; Y197-E235 WeakPolarHBondContact O-CG 3.4Å; L198-E235 VanDerWaalsContact CA-OE2 3.3Å; L198-E235 WeakPolarHBondContact CA-OE2 3.48Å; G199-E235 PolarHBondContact N-OE2 3.42Å; W232-E235 HydrophobicContact CB-CB 4.27Å; W232-E235 WeakPolarHBondContact O-CB 3.11Å; W232-E235 PolarHBondContact O-N 3.08Å; H233-E235 VanDerWaalsContact C-N 3.3Å; H233-E235 PolarHBondContact O-N 2.69Å; E235-L238 PolarHBondContact O-N 3.14Å; E235-N239 PolarHBondContact O-N 3.04Å; E235-N239 PolarHBondContact O-ND2 2.85Å |
| 236 | S | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | W232 H233 D234 N239 K240 | W232-S236 WeakPolarHBondContact CA-OG 3.47Å; W232-S236 PolarHBondContact N-OG 3.12Å; W232-S236 PolarHBondContact O-N 3.02Å; H233-S236 WeakPolarHBondContact O-CB 3.44Å; H233-S236 PolarHBondContact O-N 3Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 2.6Å; S236-N239 PolarHBondContact O-N 3.35Å; S236-K240 PolarHBondContact O-N 2.87Å; S236-K240 VanDerWaalsContact O-N 3.14Å |
| 237 | H | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.5 | -37.4 | 176.9 | -66.5 | -81.4 | 0 | 0 | 0 | 112.3 | C216 A219 M220 D223 H233 D234 K240 Y241 | C216-H237 HydrophobicContact CB-CB 4.08Å; A219-H237 WeakPolarHBondContact CB-ND1 3.35Å; M220-H237 WeakPolarHBondContact CG-CD2 3.23Å; M220-H237 VanDerWaalsContact CG-NE2 3.31Å; M220-H237 WeakPolarHBondContact CG-NE2 3.2Å; D223-H237 IonicContact OD2-CE1 3.7Å; D223-H237 PolarHBondContact OD2-CE1 3.12Å; D223-H237 VanDerWaalsContact OD2-CE1 3.27Å; D223-H237 IonicContact OD2-NE2 3.94Å; H233-H237 PolarHBondContact O-CD2 3.48Å; H233-H237 VanDerWaalsContact O-CD2 3.29Å; D234-H237 PolarHBondContact O-N 3.41Å; H237-K240 PolarHBondContact O-N 2.97Å; H237-Y241 WeakPolarHBondContact O-CB 3.4Å; H237-Y241 PolarHBondContact O-N 3.38Å |
| 238 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 173.3 | 173.5 | 65.5 | 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 3.47Å; F202-L238 HydrophobicContact CB-CD1 4.44Å; F202-L238 HydrophobicContact CD1-CD2 4.3Å; F202-L238 HydrophobicContact CG-CD1 4.43Å; L212-L238 HydrophobicContact CD1-CD1 3.74Å; L212-L238 HydrophobicContact CD2-CD1 4.08Å; L212-L238 HydrophobicContact CG-CD1 4.29Å; D234-L238 WeakPolarHBondContact O-CB 3.16Å; D234-L238 PolarHBondContact O-N 3.25Å; E235-L238 PolarHBondContact O-N 3.14Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.37Å; L238-Y241 PolarHBondContact O-N 3.2Å; L238-Y241 VanDerWaalsContact O-N 3.15Å; L238-L242 HydrophobicContact CD1-CD1 3.8Å; 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 3.22Å; L238-L242 PolarHBondContact O-N 3.47Å |
| 239 | N | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.9 | -84.8 | -78.5 | 0 | 0 | 0 | 111.9 | Y178 I188 Y197 E235 S236 Y241 L242 L243 | Y178-N239 HydrophobicContact CD1-CB 3.81Å; Y178-N239 HydrophobicContact CE1-CB 3.67Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.48Å; I188-N239 HydrophobicContact CD1-CB 4.28Å; Y197-N239 PolarHBondContact N-OD1 2.88Å; Y197-N239 PolarHBondContact O-ND2 2.75Å; E235-N239 PolarHBondContact O-N 3.04Å; E235-N239 PolarHBondContact O-ND2 2.85Å; S236-N239 PolarHBondContact O-N 3.35Å; N239-Y241 VanDerWaalsContact C-N 3.34Å; N239-Y241 PolarHBondContact O-N 2.8Å; N239-L242 PolarHBondContact O-N 3.3Å; N239-L243 WeakPolarHBondContact O-CB 3.36Å; N239-L243 PolarHBondContact O-N 3.42Å |
| 240 | K | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 21% | 0.213 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 173.7 | 176.1 | 58 | 165.3 | -77 | 0 | 111.9 | Q185 Y187 I188 S236 H237 L238 R244 | Q185-K240 WeakPolarHBondContact O-CG 3.33Å; Q185-K240 PolarHBondContact O-NZ 3.02Å; Y187-K240 PolarHBondContact O-NZ 3.36Å; I188-K240 HydrophobicContact CD1-CB 4.46Å; I188-K240 HydrophobicContact CG1-CD 4.21Å; S236-K240 PolarHBondContact O-N 2.87Å; S236-K240 VanDerWaalsContact O-N 3.14Å; H237-K240 PolarHBondContact O-N 2.97Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.37Å; K240-R244 HydrophobicContact CD-CG 4.44Å; K240-R244 PolarHBondContact O-N 2.89Å |
| 241 | Y | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 8% | 0.078 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -50 | 178.6 | -175.5 | -89.8 | 0 | 0 | 0 | 111.2 | L160 L212 A215 H237 L238 N239 L243 R244 H245 | L160-Y241 HydrophobicContact CD2-CE1 4.08Å; L212-Y241 VanDerWaalsContact CA-CZ 3.47Å; L212-Y241 HydrophobicContact CB-CD1 3.95Å; L212-Y241 HydrophobicContact CB-CE1 3.58Å; L212-Y241 HydrophobicContact CB-CE2 4.46Å; L212-Y241 HydrophobicContact CD1-CD1 3.74Å; L212-Y241 HydrophobicContact CD1-CE1 3.93Å; L212-Y241 HydrophobicContact CG-CD1 3.63Å; L212-Y241 HydrophobicContact CG-CE1 3.81Å; L212-Y241 HydrophobicContact CG-CG 4.14Å; 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 3.4Å; H237-Y241 PolarHBondContact O-N 3.38Å; L238-Y241 PolarHBondContact O-N 3.2Å; L238-Y241 VanDerWaalsContact O-N 3.15Å; N239-Y241 VanDerWaalsContact C-N 3.34Å; N239-Y241 PolarHBondContact O-N 2.8Å; Y241-L243 VanDerWaalsContact C-N 3.32Å; Y241-L243 PolarHBondContact O-N 3.3Å; Y241-R244 CarbonylContact O-C 3.6Å; Y241-R244 PolarHBondContact O-N 3.34Å; Y241-H245 HydrophobicContact CD1-CB 4.16Å; Y241-H245 AromaticContact CD2-CE1 3.98Å; Y241-H245 AromaticContact CD2-ND1 3.57Å; Y241-H245 HydrophobicContact CE1-CB 3.73Å; 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 3.1Å; Y241-H245 AromaticContact CG-ND1 3.9Å; Y241-H245 AromaticContact CZ-CG 3.76Å; Y241-H245 AromaticContact CZ-ND1 3.71Å; Y241-H245 WeakPolarHBondContact O-CB 3.42Å; Y241-H245 PolarHBondContact O-N 2.73Å; Y241-H245 PolarHBondContact O-ND1 3.35Å; 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 | -69.4 | -27.4 | -177.7 | -67.3 | 179.8 | 0 | 0 | 0 | 113.5 | L160 Y197 L212 L238 N239 R244 H245 P247 | L160-L242 HydrophobicContact CD1-CD2 4.33Å; L160-L242 HydrophobicContact CD2-CD2 3.86Å; L160-L242 HydrophobicContact CG-CD2 4.13Å; Y197-L242 HydrophobicContact CD1-CD1 4.05Å; Y197-L242 HydrophobicContact CD2-CB 3.79Å; Y197-L242 HydrophobicContact CD2-CD1 3.61Å; Y197-L242 HydrophobicContact CD2-CG 4.36Å; Y197-L242 HydrophobicContact CE1-CD1 4.47Å; Y197-L242 HydrophobicContact CE2-CB 3.68Å; Y197-L242 HydrophobicContact CE2-CD1 4.08Å; Y197-L242 HydrophobicContact CG-CD1 3.57Å; L212-L242 HydrophobicContact CD1-CD2 4.21Å; L238-L242 HydrophobicContact CD1-CD1 3.8Å; 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 3.22Å; L238-L242 PolarHBondContact O-N 3.47Å; N239-L242 PolarHBondContact O-N 3.3Å; L242-R244 VanDerWaalsContact C-N 3.29Å; L242-R244 PolarHBondContact O-N 2.99Å; L242-H245 WeakPolarHBondContact CA-O 3.46Å; L242-H245 CarbonylContact O-C 3.55Å; L242-P247 HydrophobicContact CD2-CB 4.18Å; L242-P247 HydrophobicContact CD2-CG 4.42Å |
| 243 | L | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.058 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 169.5 | 176.2 | 61.9 | 0 | 0 | 0 | 111.4 | I188 E192 N239 Y241 K246 | I188-L243 HydrophobicContact CB-CD2 4.44Å; I188-L243 HydrophobicContact CD1-CD2 4Å; I188-L243 HydrophobicContact CG1-CD2 3.89Å; I188-L243 HydrophobicContact CG2-CD2 3.74Å; E192-L243 HydrophobicContact CB-CD2 4.31Å; N239-L243 WeakPolarHBondContact O-CB 3.36Å; N239-L243 PolarHBondContact O-N 3.42Å; Y241-L243 VanDerWaalsContact C-N 3.32Å; Y241-L243 PolarHBondContact O-N 3.3Å; L243-K246 WeakPolarHBondContact O-CE 3.31Å; L243-K246 PolarHBondContact O-NZ 3.04Å |
| 244 | R | 98.8 | Very high | 98.8 | Very high | 132 Ų | 132 | 24.3 Ų | 24.3 | 50% | 0.498 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -90.5 | -24 | -177.7 | -61 | -59.2 | -176.6 | -143.6 | -5.7 | 113.4 | E192 K240 Y241 L242 | E192-R244 IonicContact OE1-NH2 3.36Å; E192-R244 PolarHBondContact OE1-NH2 2.71Å; E192-R244 IonicContact OE2-CZ 3.6Å; E192-R244 IonicContact OE2-NH1 3.27Å; E192-R244 PolarHBondContact OE2-NH1 3.03Å; E192-R244 IonicContact OE2-NH2 2.62Å; E192-R244 PolarHBondContact OE2-NH2 3.11Å; K240-R244 HydrophobicContact CD-CG 4.44Å; K240-R244 PolarHBondContact O-N 2.89Å; Y241-R244 CarbonylContact O-C 3.6Å; Y241-R244 PolarHBondContact O-N 3.34Å; L242-R244 VanDerWaalsContact C-N 3.29Å; L242-R244 PolarHBondContact O-N 2.99Å |
| 245 | H | 98.8 | Very high | 98.9 | Very high | 94 Ų | 94 | 24 Ų | 24 | 44% | 0.435 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -127.6 | 90.6 | 179.8 | -52.5 | 89 | 0 | 0 | 0 | 108.1 | Y241 L242 | Y241-H245 HydrophobicContact CD1-CB 4.16Å; Y241-H245 AromaticContact CD2-CE1 3.98Å; Y241-H245 AromaticContact CD2-ND1 3.57Å; Y241-H245 HydrophobicContact CE1-CB 3.73Å; 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 3.1Å; Y241-H245 AromaticContact CG-ND1 3.9Å; Y241-H245 AromaticContact CZ-CG 3.76Å; Y241-H245 AromaticContact CZ-ND1 3.71Å; Y241-H245 WeakPolarHBondContact O-CB 3.42Å; Y241-H245 PolarHBondContact O-N 2.73Å; Y241-H245 PolarHBondContact O-ND1 3.35Å; Y241-H245 VanDerWaalsContact O-ND1 3.09Å; L242-H245 WeakPolarHBondContact CA-O 3.46Å; L242-H245 CarbonylContact O-C 3.55Å |
| 246 | K | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 23.4 Ų | 23.4 | 35% | 0.352 | 11% | 0.105 | S | C | . | . | trans | -60.2 | 128.2 | -169.8 | -59.6 | -53.1 | -170.4 | -169 | 0 | 111 | W22 D194 L243 | W22-K246 HydrophobicContact CD2-CB 4.02Å; W22-K246 HydrophobicContact CD2-CD 4.2Å; W22-K246 HydrophobicContact CD2-CG 4.1Å; W22-K246 HydrophobicContact CE3-CD 4.18Å; W22-K246 HydrophobicContact CE3-CG 4.49Å; W22-K246 HydrophobicContact CG-CB 3.96Å; W22-K246 HydrophobicContact CG-CG 4.17Å; W22-K246 HydrophobicContact CH2-CD 4.47Å; W22-K246 HydrophobicContact CZ2-CB 4.49Å; W22-K246 HydrophobicContact CZ3-CD 4.33Å; D194-K246 IonicContact OD1-NZ 2.78Å; D194-K246 IonicContact OD2-NZ 3.68Å; D194-K246 PolarHBondContact OD2-NZ 3.18Å; L243-K246 WeakPolarHBondContact O-CE 3.31Å; L243-K246 PolarHBondContact O-NZ 3.04Å | ||
| 247 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -68.2 | 140.3 | 177.3 | 28.6 | -34.5 | 0 | 0 | 0 | 110.6 | W22 A24 L160 Y197 L242 K249 V250 | W22-P247 HydrophobicContact CZ2-CG 4.05Å; W22-P247 PolarHBondContact NE1-O 3.22Å; A24-P247 WeakPolarHBondContact CB-O 2.87Å; L160-P247 HydrophobicContact CG-CB 4.36Å; L160-P247 CarbonylContact O-C 3.58Å; Y197-P247 HydrophobicContact CE1-CG 4.23Å; L242-P247 HydrophobicContact CD2-CB 4.18Å; L242-P247 HydrophobicContact CD2-CG 4.42Å; P247-K249 VanDerWaalsContact C-N 3.34Å; P247-K249 WeakPolarHBondContact CB-O 3.31Å; P247-V250 HydrophobicContact CG-CG2 3.81Å | ||
| 248 | T | 98.9 | Very high | 98.8 | Very high | 54 Ų | 54 | 24.8 Ų | 24.8 | 33% | 0.331 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -76.9 | -16.7 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | A24 P25 T158 P159 L160 | A24-T248 VanDerWaalsContact CB-O 3.28Å; A24-T248 WeakPolarHBondContact CB-O 3.42Å; P25-T248 WeakPolarHBondContact CD-O 3.36Å; T158-T248 WeakPolarHBondContact CB-OG1 3.14Å; T158-T248 VanDerWaalsContact CG2-OG1 3.24Å; T158-T248 WeakPolarHBondContact CG2-OG1 3.38Å; T158-T248 WeakPolarHBondContact OG1-CB 3.34Å; T158-T248 PolarHBondContact OG1-OG1 2.82Å; P159-T248 HydrophobicContact CB-CG2 4.28Å; P159-T248 WeakPolarHBondContact CD-OG1 3.41Å; P159-T248 HydrophobicContact CG-CG2 4.46Å; L160-T248 PolarHBondContact N-OG1 3.22Å; L160-T248 PolarHBondContact O-N 3.33Å; L160-T248 PolarHBondContact O-OG1 3.21Å |
| 249 | K | 98.9 | Very high | 98.7 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 153.3 | 160 | -69 | 180 | -177.6 | 169.1 | 0 | 109.1 | P25 V27 E155 L157 T158 L160 F161 P247 | P25-K249 HydrophobicContact CB-CG 4.46Å; P25-K249 HydrophobicContact CG-CG 4.38Å; P25-K249 WeakPolarHBondContact O-CA 3.33Å; V27-K249 HydrophobicContact CG2-CB 4.41Å; V27-K249 HydrophobicContact CG2-CD 4.15Å; E155-K249 WeakPolarHBondContact O-CD 3.4Å; E155-K249 PolarHBondContact O-NZ 3.08Å; L157-K249 WeakPolarHBondContact O-CE 3.47Å; L157-K249 PolarHBondContact O-NZ 3.3Å; T158-K249 HydrophobicContact CG2-CB 3.7Å; T158-K249 HydrophobicContact CG2-CD 4Å; T158-K249 HydrophobicContact CG2-CG 3.79Å; L160-K249 PolarHBondContact O-N 3.19Å; F161-K249 VanDerWaalsContact CA-O 3.23Å; F161-K249 WeakPolarHBondContact CA-O 3.22Å; F161-K249 HydrophobicContact CB-CB 4.29Å; F161-K249 VanDerWaalsContact CB-O 3.27Å; F161-K249 WeakPolarHBondContact CB-O 3.49Å; P247-K249 VanDerWaalsContact C-N 3.34Å; P247-K249 WeakPolarHBondContact CB-O 3.31Å |
| 250 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.5 | 170 | 176.9 | 0 | 0 | 0 | 0 | 108 | T20 W22 P25 I26 V27 G162 L164 Y197 P247 | T20-V250 HydrophobicContact CG2-CG2 3.88Å; W22-V250 HydrophobicContact CZ2-CG2 4.22Å; P25-V250 PolarHBondContact O-N 3.45Å; I26-V250 CarbonylContact C-O 3.52Å; I26-V250 VanDerWaalsContact CA-O 3.22Å; I26-V250 WeakPolarHBondContact CA-O 3.26Å; I26-V250 HydrophobicContact CG1-CB 4.28Å; I26-V250 HydrophobicContact CG2-CB 4.38Å; I26-V250 HydrophobicContact CG2-CG1 4.31Å; V27-V250 PolarHBondContact N-O 3.4Å; G162-V250 CarbonylContact O-C 3.49Å; G162-V250 WeakPolarHBondContact O-CA 3.44Å; L164-V250 HydrophobicContact CD1-CG1 4.33Å; L164-V250 HydrophobicContact CD2-CG1 3.65Å; L164-V250 HydrophobicContact CG-CG1 3.65Å; Y197-V250 HydrophobicContact CE1-CG1 4.01Å; Y197-V250 HydrophobicContact CE1-CG2 4.07Å; P247-V250 HydrophobicContact CG-CG2 3.81Å |
| 251 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.4 | 176.1 | -52.9 | -172 | 0 | 0 | 0 | 109.8 | V27 I156 F161 G162 T163 L164 F201 Y255 | V27-L251 HydrophobicContact CB-CD2 3.9Å; V27-L251 HydrophobicContact CG2-CD2 3.74Å; I156-L251 HydrophobicContact CB-CD1 3.97Å; I156-L251 HydrophobicContact CB-CD2 3.77Å; I156-L251 HydrophobicContact CG2-CD1 3.9Å; I156-L251 HydrophobicContact CG2-CD2 3.77Å; F161-L251 HydrophobicContact CD2-CD1 3.64Å; F161-L251 HydrophobicContact CD2-CG 3.83Å; F161-L251 HydrophobicContact CE2-CD1 3.62Å; F161-L251 HydrophobicContact CE2-CG 4.33Å; G162-L251 PolarHBondContact O-N 3Å; T163-L251 HydrophobicContact CG2-CB 3.97Å; L164-L251 WeakPolarHBondContact CG-O 3.46Å; L164-L251 PolarHBondContact N-O 3.47Å; F201-L251 HydrophobicContact CD1-CD1 4.29Å; F201-L251 HydrophobicContact CE1-CD1 3.88Å; F201-L251 HydrophobicContact CZ-CD1 4.08Å; L251-Y255 HydrophobicContact CB-CD2 3.95Å; L251-Y255 HydrophobicContact CB-CG 4.02Å; L251-Y255 HydrophobicContact CD1-CD1 4.19Å; L251-Y255 HydrophobicContact CD1-CG 4.07Å |
| 252 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -67.4 | 167.9 | 172.6 | 66 | 0 | 0 | 0 | 0 | 112 | V27 E254 Y255 | V27-S252 WeakPolarHBondContact O-CB 3.35Å; V27-S252 PolarHBondContact O-N 3.31Å; V27-S252 VanDerWaalsContact O-N 3.16Å; V27-S252 PolarHBondContact O-OG 2.9Å; S252-E254 PolarHBondContact O-N 3.39Å; S252-E254 WeakPolarHBondContact OG-CB 3.48Å; S252-E254 WeakPolarHBondContact OG-CG 3.29Å; S252-E254 PolarHBondContact OG-N 3.36Å; S252-Y255 PolarHBondContact O-N 3.49Å; S252-Y255 VanDerWaalsContact O-N 3.08Å | ||
| 253 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -63 | -6.9 | 173.7 | -19.9 | 33.1 | 0 | 0 | 0 | 114.4 | W28 L164 P166 Y169 Y255 L256 W257 L268 | W28-P253 VanDerWaalsContact CH2-CD 3.47Å; W28-P253 HydrophobicContact CH2-CG 4.35Å; L164-P253 HydrophobicContact CB-CG 4.09Å; P166-P253 HydrophobicContact CB-CB 4.27Å; Y169-P253 HydrophobicContact CD1-CB 4.4Å; Y169-P253 HydrophobicContact CD1-CG 3.71Å; Y169-P253 HydrophobicContact CD2-CG 4.19Å; Y169-P253 HydrophobicContact CE1-CG 4.42Å; Y169-P253 HydrophobicContact CG-CG 3.57Å; P253-Y255 PolarHBondContact O-N 2.67Å; P253-L256 CarbonylContact O-C 3.53Å; P253-L256 VanDerWaalsContact O-C 3.29Å; P253-L256 PolarHBondContact O-N 3.39Å; P253-W257 HydrophobicContact CB-CE3 3.55Å; P253-W257 HydrophobicContact CB-CZ3 3.59Å; P253-W257 HydrophobicContact CG-CZ3 4.48Å; P253-L268 HydrophobicContact CB-CD2 4.13Å |
| 254 | E | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -58.5 | -29.2 | 169.2 | -60.3 | -179 | 173.1 | 0 | 0 | 111.5 | R13 W28 E29 S252 L268 K270 R272 | R13-E254 IonicContact NH1-OE1 3.27Å; W28-E254 HydrophobicContact CE3-CG 4.12Å; W28-E254 HydrophobicContact CZ3-CG 4.43Å; E29-E254 WeakPolarHBondContact CB-OE1 3.45Å; E29-E254 PolarHBondContact N-OE1 3Å; E29-E254 PolarHBondContact N-OE2 2.98Å; S252-E254 PolarHBondContact O-N 3.39Å; S252-E254 WeakPolarHBondContact OG-CB 3.48Å; S252-E254 WeakPolarHBondContact OG-CG 3.29Å; S252-E254 PolarHBondContact OG-N 3.36Å; E254-L268 HydrophobicContact CG-CD2 3.71Å; E254-K270 WeakPolarHBondContact CB-O 3.48Å; E254-K270 WeakPolarHBondContact CG-O 3.45Å; E254-R272 HydrophobicContact CB-CG 4.27Å; E254-R272 WeakPolarHBondContact O-CA 3.44Å; E254-R272 VanDerWaalsContact O-CB 3.22Å; E254-R272 WeakPolarHBondContact O-CB 3.38Å; E254-R272 WeakPolarHBondContact O-CG 3.41Å; E254-R272 PolarHBondContact O-N 2.83Å; E254-R272 IonicContact OE2-CZ 3.45Å; E254-R272 IonicContact OE2-NE 2.7Å; E254-R272 PolarHBondContact OE2-NE 2.87Å; E254-R272 VanDerWaalsContact OE2-NE 3.09Å; E254-R272 IonicContact OE2-NH2 3.19Å; E254-R272 PolarHBondContact OE2-NH2 3.06Å |
| 255 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -89.9 | -5.4 | -177.3 | -67.9 | -91.2 | 0 | 0 | 0 | 113.7 | V27 V152 E155 I156 F201 L251 S252 P253 R272 F273 | V27-Y255 HydrophobicContact CB-CE2 4.18Å; V27-Y255 HydrophobicContact CG1-CE2 3.77Å; V27-Y255 WeakPolarHBondContact CG1-OH 3.38Å; V152-Y255 HydrophobicContact CG1-CD1 4.2Å; V152-Y255 HydrophobicContact CG1-CE1 4.3Å; V152-Y255 HydrophobicContact CG2-CD1 4.19Å; V152-Y255 HydrophobicContact CG2-CE1 4.4Å; E155-Y255 WeakPolarHBondContact CG-OH 3.45Å; E155-Y255 WeakPolarHBondContact OE1-CE1 3.37Å; E155-Y255 PolarHBondContact OE1-OH 3.16Å; I156-Y255 HydrophobicContact CG2-CD1 3.81Å; I156-Y255 HydrophobicContact CG2-CE1 3.34Å; F201-Y255 WeakPolarHBondContact CD2-O 3.23Å; F201-Y255 VanDerWaalsContact CE2-O 3.28Å; F201-Y255 WeakPolarHBondContact CE2-O 3.35Å; L251-Y255 HydrophobicContact CB-CD2 3.95Å; L251-Y255 HydrophobicContact CB-CG 4.02Å; L251-Y255 HydrophobicContact CD1-CD1 4.19Å; L251-Y255 HydrophobicContact CD1-CG 4.07Å; S252-Y255 PolarHBondContact O-N 3.49Å; S252-Y255 VanDerWaalsContact O-N 3.08Å; P253-Y255 PolarHBondContact O-N 2.67Å; Y255-R272 VanDerWaalsContact CE1-CD 3.44Å; Y255-R272 VanDerWaalsContact CZ-CD 3.43Å; Y255-F273 WeakPolarHBondContact O-CB 3.41Å; Y255-F273 WeakPolarHBondContact O-CD1 3.37Å |
| 256 | L | 97.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -159.3 | 112.2 | 167.8 | -165 | 157.1 | 0 | 0 | 0 | 109.7 | M146 T163 P166 L198 F201 P253 F273 | M146-L256 HydrophobicContact CE-CD1 3.5Å; M146-L256 HydrophobicContact CE-CD2 3.57Å; M146-L256 HydrophobicContact CE-CG 3.32Å; T163-L256 HydrophobicContact CG2-CB 4Å; P166-L256 WeakPolarHBondContact CB-O 3.27Å; P166-L256 HydrophobicContact CG-CD2 4.06Å; L198-L256 HydrophobicContact CB-CD1 4.48Å; L198-L256 HydrophobicContact CD1-CD1 3.73Å; L198-L256 HydrophobicContact CD1-CD2 3.35Å; L198-L256 HydrophobicContact CD1-CG 4.03Å; L198-L256 HydrophobicContact CD2-CD1 3.34Å; L198-L256 HydrophobicContact CD2-CD2 4.34Å; L198-L256 HydrophobicContact CD2-CG 4.44Å; L198-L256 HydrophobicContact CG-CD1 4.03Å; L198-L256 HydrophobicContact CG-CD2 4.47Å; F201-L256 HydrophobicContact CB-CD1 3.85Å; P253-L256 CarbonylContact O-C 3.53Å; P253-L256 VanDerWaalsContact O-C 3.29Å; P253-L256 PolarHBondContact O-N 3.39Å; L256-F273 VanDerWaalsContact CA-O 3.31Å; L256-F273 WeakPolarHBondContact CA-O 3.49Å; L256-F273 HydrophobicContact CG-CD1 4.49Å |
| 257 | W | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -138.7 | 147.1 | -173.7 | -164.3 | -106.5 | 0 | 0 | 0 | 113.7 | P166 Y169 P253 L262 G263 P265 L268 L271 F273 T274 A275 | P166-W257 HydrophobicContact CB-CD2 4.17Å; P166-W257 HydrophobicContact CB-CE3 3.26Å; P166-W257 HydrophobicContact CB-CH2 4.37Å; P166-W257 HydrophobicContact CB-CZ3 3.37Å; Y169-W257 HydrophobicContact CD1-CZ3 4.28Å; Y169-W257 AromaticContact CE1-CH2 3.74Å; Y169-W257 HydrophobicContact CE1-CH2 3.74Å; Y169-W257 AromaticContact CE1-CZ3 3.71Å; Y169-W257 HydrophobicContact CE1-CZ3 3.71Å; P253-W257 HydrophobicContact CB-CE3 3.55Å; P253-W257 HydrophobicContact CB-CZ3 3.59Å; P253-W257 HydrophobicContact CG-CZ3 4.48Å; W257-L262 HydrophobicContact CE3-CD1 4.42Å; W257-L262 HydrophobicContact CH2-CB 3.9Å; W257-L262 HydrophobicContact CH2-CD1 3.91Å; W257-L262 HydrophobicContact CZ2-CB 3.33Å; W257-L262 HydrophobicContact CZ2-CD1 4.05Å; W257-L262 HydrophobicContact CZ2-CG 4.34Å; W257-L262 HydrophobicContact CZ3-CD1 4.11Å; W257-G263 PolarHBondContact NE1-O 3.05Å; W257-P265 HydrophobicContact CH2-CG 3.93Å; W257-P265 VanDerWaalsContact CZ2-CD 3.45Å; W257-P265 HydrophobicContact CZ2-CG 3.69Å; W257-L268 HydrophobicContact CD2-CD1 3.38Å; W257-L268 HydrophobicContact CE3-CD1 3.44Å; W257-L268 VanDerWaalsContact CE3-CD1 3.44Å; W257-L268 HydrophobicContact CG-CD1 4.12Å; W257-L268 HydrophobicContact CH2-CD1 3.64Å; W257-L268 HydrophobicContact CZ2-CD1 3.52Å; W257-L268 HydrophobicContact CZ3-CD1 3.59Å; W257-L271 HydrophobicContact CB-CD2 4.14Å; W257-L271 VanDerWaalsContact CD1-CD2 3.49Å; W257-L271 HydrophobicContact CD2-CD2 4.32Å; W257-L271 HydrophobicContact CG-CD2 3.71Å; W257-F273 PolarHBondContact N-O 2.92Å; W257-T274 HydrophobicContact CB-CG2 4.3Å; W257-T274 CarbonylContact O-C 3.55Å; W257-T274 WeakPolarHBondContact O-CA 3.48Å; W257-A275 PolarHBondContact O-N 3.49Å |
| 258 | D | 98 | Very high | 98.2 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | trans | -112.5 | 98.4 | 168.2 | -170.9 | -37.8 | 0 | 0 | 0 | 108.9 | Q260 L261 L262 A275 | D258-Q260 VanDerWaalsContact C-N 3.27Å; D258-Q260 PolarHBondContact O-N 3.21Å; D258-Q260 WeakPolarHBondContact OD1-CA 3.4Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.27Å; D258-Q260 PolarHBondContact OD1-N 2.85Å; D258-L261 HydrophobicContact CB-CB 4.29Å; D258-L261 PolarHBondContact OD1-N 2.77Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.37Å; D258-L262 VanDerWaalsContact O-CB 3.29Å; D258-L262 WeakPolarHBondContact O-CB 3.22Å; D258-L262 PolarHBondContact O-N 2.88Å; D258-A275 HydrophobicContact CB-CB 4.14Å | ||
| 259 | Q | 97.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.5 | -28.8 | -178.5 | -169 | -176.8 | 11 | 0 | 0 | 112.2 | G263 L271 | Q259-G263 VanDerWaalsContact O-CA 3.28Å; Q259-G263 WeakPolarHBondContact O-CA 3.23Å; Q259-G263 PolarHBondContact O-N 2.96Å; Q259-L271 HydrophobicContact CB-CD1 4.32Å; Q259-L271 HydrophobicContact CG-CD1 4.12Å |
| 260 | Q | 95.9 | Very high | 98.2 | Very high | 144 Ų | 144 | 47.7 Ų | 47.7 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.2 | -41.6 | -179.2 | -177.3 | 178.5 | 4.2 | 0 | 0 | 110.7 | D258 | D258-Q260 VanDerWaalsContact C-N 3.27Å; D258-Q260 PolarHBondContact O-N 3.21Å; D258-Q260 WeakPolarHBondContact OD1-CA 3.4Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.27Å; D258-Q260 PolarHBondContact OD1-N 2.85Å |
| 261 | L | 96.1 | Very high | 98.2 | Very high | 135 Ų | 135 | 48 Ų | 48 | 71% | 0.707 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -84.7 | -33.8 | -179 | -64.7 | -178.9 | 0 | 0 | 0 | 113.3 | D258 | D258-L261 HydrophobicContact CB-CB 4.29Å; D258-L261 PolarHBondContact OD1-N 2.77Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.37Å |
| 262 | L | 97.8 | Very high | 98.2 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -117.5 | -1.2 | -166.7 | -54.8 | 170.9 | 0 | 0 | 0 | 113.9 | P166 W257 D258 | P166-L262 HydrophobicContact CB-CD1 3.57Å; P166-L262 HydrophobicContact CG-CD1 4.06Å; W257-L262 HydrophobicContact CE3-CD1 4.42Å; W257-L262 HydrophobicContact CH2-CB 3.9Å; W257-L262 HydrophobicContact CH2-CD1 3.91Å; W257-L262 HydrophobicContact CZ2-CB 3.33Å; W257-L262 HydrophobicContact CZ2-CD1 4.05Å; W257-L262 HydrophobicContact CZ2-CG 4.34Å; W257-L262 HydrophobicContact CZ3-CD1 4.11Å; D258-L262 VanDerWaalsContact O-CB 3.29Å; D258-L262 WeakPolarHBondContact O-CB 3.22Å; D258-L262 PolarHBondContact O-N 2.88Å |
| 263 | G | 98.1 | Very high | 98.2 | Very high | 33 Ų | 33 | 48 Ų | 48 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | 65 | -149.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W257 Q259 | W257-G263 PolarHBondContact NE1-O 3.05Å; Q259-G263 VanDerWaalsContact O-CA 3.28Å; Q259-G263 WeakPolarHBondContact O-CA 3.23Å; Q259-G263 PolarHBondContact O-N 2.96Å | ||
| 264 | W | 98.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 48.1 Ų | 48.1 | 57% | 0.568 | 25% | 0.251 | S | S | * | . | trans | -131.6 | 85.8 | 174.6 | -167.7 | -19.6 | 0 | 0 | 0 | 109.8 | L268 L271 | W264-L268 PolarHBondContact NE1-O 2.68Å; W264-L271 HydrophobicContact CB-CD1 4.38Å; W264-L271 HydrophobicContact CD2-CD1 3.59Å; W264-L271 HydrophobicContact CD2-CG 3.86Å; W264-L271 HydrophobicContact CE3-CD1 3.74Å; W264-L271 HydrophobicContact CE3-CG 4.32Å; W264-L271 HydrophobicContact CG-CD1 3.89Å; W264-L271 HydrophobicContact CG-CD2 4.47Å; W264-L271 HydrophobicContact CG-CG 4.22Å; W264-L271 HydrophobicContact CH2-CG 4.49Å; W264-L271 HydrophobicContact CZ2-CG 4.05Å; W264-L271 HydrophobicContact CZ3-CD1 4.26Å | ||
| 265 | P | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | trans | -68.4 | 148.1 | 180 | 28 | -35.8 | 0 | 0 | 0 | 111.7 | W257 V267 L268 | W257-P265 HydrophobicContact CH2-CG 3.93Å; W257-P265 VanDerWaalsContact CZ2-CD 3.45Å; W257-P265 HydrophobicContact CZ2-CG 3.69Å; P265-V267 HydrophobicContact CB-CG1 4.17Å; P265-V267 HydrophobicContact CG-CG1 4.14Å; P265-V267 PolarHBondContact O-N 3.43Å; P265-L268 HydrophobicContact CG-CD1 3.79Å; P265-L268 HydrophobicContact CG-CG 4.05Å; P265-L268 PolarHBondContact O-N 3.32Å | ||
| 266 | A | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 50 Ų | 50 | 86% | 0.86 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L268 | A266-L268 PolarHBondContact O-N 2.84Š|
| 267 | V | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.7 | 176 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | R13 V16 W28 Y169 P265 | R13-V267 PolarHBondContact NH2-O 3.27Å; V16-V267 HydrophobicContact CG1-CG2 3.21Å; W28-V267 HydrophobicContact CH2-CG2 4.43Å; W28-V267 HydrophobicContact CZ3-CG2 4.27Å; Y169-V267 HydrophobicContact CE2-CG1 4.2Å; P265-V267 HydrophobicContact CB-CG1 4.17Å; P265-V267 HydrophobicContact CG-CG1 4.14Å; P265-V267 PolarHBondContact O-N 3.43Å |
| 268 | L | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -92.3 | 104.4 | 176.6 | -59.9 | 175.9 | 0 | 0 | 0 | 109.2 | W28 P253 E254 W257 W264 P265 A266 K270 L271 | W28-L268 HydrophobicContact CH2-CD2 4.48Å; W28-L268 HydrophobicContact CZ3-CD2 3.76Å; P253-L268 HydrophobicContact CB-CD2 4.13Å; E254-L268 HydrophobicContact CG-CD2 3.71Å; W257-L268 HydrophobicContact CD2-CD1 3.38Å; W257-L268 HydrophobicContact CE3-CD1 3.44Å; W257-L268 VanDerWaalsContact CE3-CD1 3.44Å; W257-L268 HydrophobicContact CG-CD1 4.12Å; W257-L268 HydrophobicContact CH2-CD1 3.64Å; W257-L268 HydrophobicContact CZ2-CD1 3.52Å; W257-L268 HydrophobicContact CZ3-CD1 3.59Å; W264-L268 PolarHBondContact NE1-O 2.68Å; P265-L268 HydrophobicContact CG-CD1 3.79Å; P265-L268 HydrophobicContact CG-CG 4.05Å; P265-L268 PolarHBondContact O-N 3.32Å; A266-L268 PolarHBondContact O-N 2.84Å; L268-K270 VanDerWaalsContact C-N 3.25Å; L268-K270 PolarHBondContact O-N 2.89Å; L268-L271 HydrophobicContact CB-CD2 4.11Å; L268-L271 HydrophobicContact CD1-CD2 3.67Å | ||
| 269 | R | 98.7 | Very high | 96.6 | Very high | 128 Ų | 128 | 59.4 Ų | 59.4 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -74.7 | -22.9 | 175.7 | -62.7 | -178 | 179.1 | -179.5 | -0 | 112 | E29 | E29-R269 HydrophobicContact CB-CB 3.92Å; E29-R269 HydrophobicContact CG-CB 4Å |
| 270 | K | 98.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | trans | -140.2 | 147.1 | 179.7 | -67.4 | -173.1 | 165.5 | -135 | 0 | 110.8 | E29 D150 E254 L268 R272 | E29-K270 HydrophobicContact CB-CD 4.47Å; E29-K270 HydrophobicContact CB-CG 4.46Å; E29-K270 HydrophobicContact CG-CD 4.05Å; E29-K270 HydrophobicContact CG-CG 4.2Å; E29-K270 WeakPolarHBondContact OE2-CD 3.15Å; D150-K270 VanDerWaalsContact CG-NZ 3.3Å; D150-K270 IonicContact OD1-NZ 3.7Å; D150-K270 PolarHBondContact OD1-NZ 3.09Å; D150-K270 WeakPolarHBondContact OD2-CD 3.29Å; D150-K270 WeakPolarHBondContact OD2-CE 3.34Å; D150-K270 WeakPolarHBondContact OD2-CG 3.2Å; D150-K270 IonicContact OD2-NZ 3.76Å; D150-K270 PolarHBondContact OD2-NZ 2.89Å; E254-K270 WeakPolarHBondContact CB-O 3.48Å; E254-K270 WeakPolarHBondContact CG-O 3.45Å; L268-K270 VanDerWaalsContact C-N 3.25Å; L268-K270 PolarHBondContact O-N 2.89Å; K270-R272 HydrophobicContact CB-CG 4.08Å | ||
| 271 | L | 98.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | trans | -112.5 | 102 | 165.7 | -57.7 | -175.6 | 0 | 0 | 0 | 106.8 | R149 W257 Q259 W264 L268 T274 | R149-L271 WeakPolarHBondContact CB-O 3.42Å; W257-L271 HydrophobicContact CB-CD2 4.14Å; W257-L271 VanDerWaalsContact CD1-CD2 3.49Å; W257-L271 HydrophobicContact CD2-CD2 4.32Å; W257-L271 HydrophobicContact CG-CD2 3.71Å; Q259-L271 HydrophobicContact CB-CD1 4.32Å; Q259-L271 HydrophobicContact CG-CD1 4.12Å; W264-L271 HydrophobicContact CB-CD1 4.38Å; W264-L271 HydrophobicContact CD2-CD1 3.59Å; W264-L271 HydrophobicContact CD2-CG 3.86Å; W264-L271 HydrophobicContact CE3-CD1 3.74Å; W264-L271 HydrophobicContact CE3-CG 4.32Å; W264-L271 HydrophobicContact CG-CD1 3.89Å; W264-L271 HydrophobicContact CG-CD2 4.47Å; W264-L271 HydrophobicContact CG-CG 4.22Å; W264-L271 HydrophobicContact CH2-CG 4.49Å; W264-L271 HydrophobicContact CZ2-CG 4.05Å; W264-L271 HydrophobicContact CZ3-CD1 4.26Å; L268-L271 HydrophobicContact CB-CD2 4.11Å; L268-L271 HydrophobicContact CD1-CD2 3.67Å; L271-T274 HydrophobicContact CB-CG2 3.9Å | ||
| 272 | R | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -92.2 | -39.3 | -167.2 | -53.1 | 168.4 | -177 | -81.8 | -0.2 | 112.4 | E29 F148 R149 D150 H151 V152 E254 Y255 K270 | E29-R272 IonicContact OE2-CZ 2.77Å; E29-R272 IonicContact OE2-NH1 3.5Å; E29-R272 IonicContact OE2-NH2 2.8Å; E29-R272 PolarHBondContact OE2-NH2 3.4Å; F148-R272 CarbonylContact C-O 3.57Å; F148-R272 WeakPolarHBondContact CA-O 3.41Å; R149-R272 PolarHBondContact N-O 3.09Å; D150-R272 HydrophobicContact CB-CB 4.41Å; D150-R272 HydrophobicContact CB-CG 4.26Å; D150-R272 PolarHBondContact N-O 3.02Å; H151-R272 WeakPolarHBondContact O-CD 3.15Å; H151-R272 PolarHBondContact O-NH1 3.27Å; V152-R272 HydrophobicContact CG2-CB 3.68Å; E254-R272 HydrophobicContact CB-CG 4.27Å; E254-R272 WeakPolarHBondContact O-CA 3.44Å; E254-R272 VanDerWaalsContact O-CB 3.22Å; E254-R272 WeakPolarHBondContact O-CB 3.38Å; E254-R272 WeakPolarHBondContact O-CG 3.41Å; E254-R272 PolarHBondContact O-N 2.83Å; E254-R272 IonicContact OE2-CZ 3.45Å; E254-R272 IonicContact OE2-NE 2.7Å; E254-R272 PolarHBondContact OE2-NE 2.87Å; E254-R272 VanDerWaalsContact OE2-NE 3.09Å; E254-R272 IonicContact OE2-NH2 3.19Å; E254-R272 PolarHBondContact OE2-NH2 3.06Å; Y255-R272 VanDerWaalsContact CE1-CD 3.44Å; Y255-R272 VanDerWaalsContact CZ-CD 3.43Å; K270-R272 HydrophobicContact CB-CG 4.08Å | ||
| 273 | F | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 120.3 | -178.8 | -178.3 | -118.2 | 0 | 0 | 0 | 108.8 | F65 V142 M146 E147 F148 F201 Y255 L256 W257 | F65-F273 HydrophobicContact CD2-CE2 4.25Å; F65-F273 AromaticContact CE2-CE2 3.92Å; F65-F273 HydrophobicContact CE2-CE2 3.92Å; F65-F273 AromaticContact CE2-CZ 3.96Å; F65-F273 HydrophobicContact CE2-CZ 3.96Å; V142-F273 HydrophobicContact CB-CE1 4.16Å; V142-F273 HydrophobicContact CB-CZ 4.04Å; V142-F273 HydrophobicContact CG1-CE1 4.33Å; V142-F273 HydrophobicContact CG1-CZ 4.48Å; V142-F273 HydrophobicContact CG2-CZ 4.23Å; M146-F273 HydrophobicContact CB-CD1 4.37Å; M146-F273 HydrophobicContact CB-CD2 4.05Å; M146-F273 HydrophobicContact CB-CE1 3.67Å; M146-F273 HydrophobicContact CB-CE2 3.28Å; M146-F273 HydrophobicContact CB-CZ 3.08Å; M146-F273 HydrophobicContact CE-CD1 4.18Å; M146-F273 HydrophobicContact CE-CE1 3.88Å; M146-F273 HydrophobicContact CG-CE1 3.67Å; M146-F273 HydrophobicContact CG-CE2 4.21Å; M146-F273 HydrophobicContact CG-CZ 3.49Å; M146-F273 VanDerWaalsContact CG-CZ 3.49Å; E147-F273 CarbonylContact O-C 3.54Å; E147-F273 WeakPolarHBondContact O-CA 3.4Å; E147-F273 WeakPolarHBondContact O-CD2 3.49Å; F148-F273 HydrophobicContact CD1-CB 4.32Å; F148-F273 AromaticContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CD2 3.64Å; F148-F273 HydrophobicContact CD1-CE2 4.32Å; F148-F273 HydrophobicContact CD1-CG 4.33Å; F148-F273 AromaticContact CD2-CD2 3.87Å; F148-F273 HydrophobicContact CD2-CD2 3.87Å; F148-F273 AromaticContact CD2-CE2 3.9Å; F148-F273 HydrophobicContact CD2-CE2 3.9Å; F148-F273 AromaticContact CE1-CD2 3.63Å; F148-F273 HydrophobicContact CE1-CD2 3.63Å; F148-F273 AromaticContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CE2 3.99Å; F148-F273 HydrophobicContact CE1-CG 4.25Å; F148-F273 AromaticContact CE2-CD2 3.86Å; F148-F273 HydrophobicContact CE2-CD2 3.86Å; F148-F273 AromaticContact CE2-CE2 3.54Å; F148-F273 HydrophobicContact CE2-CE2 3.54Å; F148-F273 AromaticContact CG-CD2 3.77Å; F148-F273 HydrophobicContact CG-CD2 3.77Å; F148-F273 HydrophobicContact CG-CE2 4.28Å; F148-F273 AromaticContact CZ-CD2 3.74Å; F148-F273 HydrophobicContact CZ-CD2 3.74Å; F148-F273 AromaticContact CZ-CE2 3.59Å; F148-F273 HydrophobicContact CZ-CE2 3.59Å; F148-F273 HydrophobicContact CZ-CZ 4.36Å; F201-F273 AromaticContact CD2-CD1 3.77Å; F201-F273 HydrophobicContact CD2-CD1 3.77Å; F201-F273 HydrophobicContact CD2-CE1 4.12Å; F201-F273 HydrophobicContact CE2-CD1 4.08Å; Y255-F273 WeakPolarHBondContact O-CB 3.41Å; Y255-F273 WeakPolarHBondContact O-CD1 3.37Å; L256-F273 VanDerWaalsContact CA-O 3.31Å; L256-F273 WeakPolarHBondContact CA-O 3.49Å; L256-F273 HydrophobicContact CG-CD1 4.49Å; W257-F273 PolarHBondContact N-O 2.92Å |
| 274 | T | 98.6 | Very high | 92 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.7 | -164.6 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | M146 E147 R149 W257 L271 | M146-T274 CarbonylContact C-O 3.59Å; M146-T274 VanDerWaalsContact CA-O 3.29Å; M146-T274 WeakPolarHBondContact CA-O 3.43Å; E147-T274 WeakPolarHBondContact CG-OG1 3.18Å; E147-T274 PolarHBondContact N-O 3.3Å; E147-T274 PolarHBondContact O-N 2.78Å; R149-T274 VanDerWaalsContact CD-OG1 3.32Å; R149-T274 WeakPolarHBondContact CD-OG1 3.38Å; R149-T274 PolarHBondContact NE-OG1 2.8Å; R149-T274 VanDerWaalsContact NE-OG1 3.09Å; W257-T274 HydrophobicContact CB-CG2 4.3Å; W257-T274 CarbonylContact O-C 3.55Å; W257-T274 WeakPolarHBondContact O-CA 3.48Å; L271-T274 HydrophobicContact CB-CG2 3.9Å |
| 275 | A | 97.6 | Very high | 90.7 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 134.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M146 W257 D258 | M146-A275 WeakPolarHBondContact SD-CA 3.43Å; M146-A275 HydrophobicContact SD-CB 4.03Å; W257-A275 PolarHBondContact O-N 3.49Å; D258-A275 HydrophobicContact CB-CB 4.14Å |
| 276 | V | 95.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 128.9 | 168.8 | 177.9 | 0 | 0 | 0 | 0 | 108 | F61 L64 D145 E147 K278 | F61-V276 HydrophobicContact CD1-CB 4.34Å; F61-V276 HydrophobicContact CD1-CG1 4.15Å; F61-V276 HydrophobicContact CE1-CB 4.37Å; F61-V276 HydrophobicContact CE1-CG1 4.05Å; L64-V276 HydrophobicContact CD2-CG2 3.8Å; D145-V276 PolarHBondContact O-N 3.23Å; E147-V276 HydrophobicContact CB-CG2 4.13Å; E147-V276 HydrophobicContact CG-CG2 4.23Å; V276-K278 PolarHBondContact O-N 3.29Å |
| 277 | P | 90 | Very high | 86.4 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 129.4 | 176.7 | -27.8 | 35.6 | 0 | 0 | 0 | 111.6 | ||
| 278 | K | 88.4 | Confident | 85.8 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | trans | -146.1 | 150 | -178.4 | 63.3 | -179.1 | -179.2 | -80.1 | 0 | 111.3 | F61 D145 V276 H280 | F61-K278 HydrophobicContact CE1-CB 4.43Å; F61-K278 HydrophobicContact CZ-CB 4.02Å; F61-K278 HydrophobicContact CZ-CD 4.35Å; D145-K278 HydrophobicContact CB-CD 4.06Å; D145-K278 WeakPolarHBondContact OD2-CD 3.49Å; D145-K278 WeakPolarHBondContact OD2-CE 3.43Å; D145-K278 IonicContact OD2-NZ 2.74Å; D145-K278 PolarHBondContact OD2-NZ 2.91Å; V276-K278 PolarHBondContact O-N 3.29Å; K278-H280 VanDerWaalsContact CE-NE2 3.31Å; K278-H280 WeakPolarHBondContact CE-NE2 3.47Å | ||
| 279 | N | 86.3 | Confident | 85.1 | Confident | 100 Ų | 100 | 61.7 Ų | 61.7 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | trans | -90.7 | 108.4 | 166.2 | -178.4 | -37.4 | 0 | 0 | 0 | 108.5 | Q281 A282 V283 | N279-Q281 VanDerWaalsContact C-N 3.33Å; N279-Q281 PolarHBondContact O-N 2.98Å; N279-Q281 PolarHBondContact OD1-N 2.95Å; N279-Q281 VanDerWaalsContact OD1-N 3.12Å; N279-A282 HydrophobicContact CB-CB 3.95Å; N279-A282 PolarHBondContact O-N 3.48Å; N279-A282 PolarHBondContact OD1-N 3.4Å; N279-A282 VanDerWaalsContact OD1-N 3.14Å; N279-V283 WeakPolarHBondContact O-CG2 3.32Å; N279-V283 PolarHBondContact O-N 2.73Å; N279-V283 VanDerWaalsContact O-N 3.12Å | ||
| 280 | H | 78.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.7 | -46.6 | -176.6 | -69.8 | 86.8 | 0 | 0 | 0 | 112.3 | K278 A282 V283 Q284 | K278-H280 VanDerWaalsContact CE-NE2 3.31Å; K278-H280 WeakPolarHBondContact CE-NE2 3.47Å; H280-A282 PolarHBondContact O-N 2.88Å; H280-V283 PolarHBondContact O-N 3.04Å; H280-Q284 WeakPolarHBondContact O-CB 3.34Å; H280-Q284 WeakPolarHBondContact O-CG 3.43Å; H280-Q284 PolarHBondContact O-N 2.99Å |
| 281 | Q | 76.1 | Confident | 83.5 | Confident | 125 Ų | 125 | 58.6 Ų | 58.6 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.3 | -47 | -179.4 | -170.3 | 175.8 | 5 | 0 | 0 | 111.4 | N279 V283 E285 | N279-Q281 VanDerWaalsContact C-N 3.33Å; N279-Q281 PolarHBondContact O-N 2.98Å; N279-Q281 PolarHBondContact OD1-N 2.95Å; N279-Q281 VanDerWaalsContact OD1-N 3.12Å; Q281-V283 VanDerWaalsContact C-N 3.31Å; Q281-V283 PolarHBondContact O-N 2.91Å; Q281-E285 HydrophobicContact CG-CG 4.25Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.28Å; Q281-E285 PolarHBondContact NE2-OE1 2.7Å; Q281-E285 WeakPolarHBondContact O-CB 3.24Å; Q281-E285 WeakPolarHBondContact O-CG 3.5Å; Q281-E285 PolarHBondContact O-N 2.83Å; Q281-E285 VanDerWaalsContact O-N 3.15Å |
| 282 | A | 78.5 | Confident | 82.6 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K57 N279 H280 | K57-A282 VanDerWaalsContact CD-O 3.29Å; K57-A282 WeakPolarHBondContact CD-O 3.48Å; K57-A282 PolarHBondContact NZ-O 3.32Å; N279-A282 HydrophobicContact CB-CB 3.95Å; N279-A282 PolarHBondContact O-N 3.48Å; N279-A282 PolarHBondContact OD1-N 3.4Å; N279-A282 VanDerWaalsContact OD1-N 3.14Å; H280-A282 PolarHBondContact O-N 2.88Å |
| 283 | V | 80.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -89.5 | -28.9 | -175.2 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | K57 Y58 F61 N279 H280 Q281 | K57-V283 HydrophobicContact CB-CG1 4.17Å; Y58-V283 HydrophobicContact CD1-CG1 4.44Å; Y58-V283 HydrophobicContact CD2-CG1 3.82Å; Y58-V283 HydrophobicContact CE1-CG1 4.23Å; Y58-V283 HydrophobicContact CE2-CG1 3.56Å; Y58-V283 HydrophobicContact CG-CG1 4.26Å; F61-V283 HydrophobicContact CE2-CG1 3.94Å; F61-V283 HydrophobicContact CZ-CG1 4.38Å; N279-V283 WeakPolarHBondContact O-CG2 3.32Å; N279-V283 PolarHBondContact O-N 2.73Å; N279-V283 VanDerWaalsContact O-N 3.12Å; H280-V283 PolarHBondContact O-N 3.04Å; Q281-V283 VanDerWaalsContact C-N 3.31Å; Q281-V283 PolarHBondContact O-N 2.91Å |
| 284 | Q | 76.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -89.4 | -26 | -177.3 | -67.4 | 173.9 | -13 | 0 | 0 | 114 | Y58 W113 H280 | Y58-Q284 HydrophobicContact CE2-CG 4.48Å; W113-Q284 HydrophobicContact CB-CB 4.03Å; W113-Q284 HydrophobicContact CB-CG 4.02Å; W113-Q284 HydrophobicContact CG-CB 4.13Å; W113-Q284 HydrophobicContact CG-CG 4.07Å; H280-Q284 WeakPolarHBondContact O-CB 3.34Å; H280-Q284 WeakPolarHBondContact O-CG 3.43Å; H280-Q284 PolarHBondContact O-N 2.99Å |
| 285 | E | 70.6 | Confident | 78.8 | Confident | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -70.8 | 139.1 | 178.5 | -75.6 | -178.5 | -177.8 | 0 | 0 | 111.9 | K57 Q281 | K57-E285 PolarHBondContact NZ-O 3.5Å; Q281-E285 HydrophobicContact CG-CG 4.25Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.28Å; Q281-E285 PolarHBondContact NE2-OE1 2.7Å; Q281-E285 WeakPolarHBondContact O-CB 3.24Å; Q281-E285 WeakPolarHBondContact O-CG 3.5Å; Q281-E285 PolarHBondContact O-N 2.83Å; Q281-E285 VanDerWaalsContact O-N 3.15Å |
| 286 | P | 56.8 | Low | 77.3 | Confident | 75 Ų | 75 | 81 Ų | 81 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | trans | -59 | 148.6 | 171.3 | 8.4 | -4.2 | 0 | 0 | 0 | 110.8 | ||||
| 287 | V | 50.1 | Low | 75.6 | Confident | 187 Ų | 187 | 86.3 Ų | 86.3 | 100% | 1.133 | 48% | 0.478 | S | S | * | . | trans | -74.5 | 0 | 161.7 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | K57 | K57-V287 VanDerWaalsContact CE-CG2 3.41Š|
Retrieved 287 of 287 residues in 220.4 ms
(Link to these results)