| 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 | 34.9 | Very low | 50.4 | Low | 245 Ų | 245 | 121.7 Ų | 121.7 | 100% | 1.207 | 78% | 0.781 | S | S | * | * | 0 | 118.4 | 0 | -65.7 | 173.4 | 177.6 | 0 | 0 | 106.2 | |||||
| 2 | S | 34.4 | Very low | 54 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -151.9 | 120.9 | -7.5 | 46.2 | 0 | 0 | 0 | 0 | 108.6 | S4 | S2-S4 PolarHBondContact O-N 2.94Š| ||
| 3 | D | 38.4 | Very low | 57.1 | Low | 168 Ų | 168 | 132.3 Ų | 132.3 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 96.3 | 175.9 | -61 | -77.1 | 0 | 0 | 0 | 110.4 | A5 | D3-A5 VanDerWaalsContact C-N 3.29Å; D3-A5 PolarHBondContact O-N 2.76Å | ||
| 4 | S | 39.3 | Very low | 59.8 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -71.4 | 89.5 | 167 | 56.2 | 0 | 0 | 0 | 0 | 108.3 | S2 G6 | S2-S4 PolarHBondContact O-N 2.94Å; S4-G6 PolarHBondContact O-N 2.95Å | ||
| 5 | A | 42 | Very low | 62.1 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -63.2 | 83.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D3 G7 | D3-A5 VanDerWaalsContact C-N 3.29Å; D3-A5 PolarHBondContact O-N 2.76Å; A5-G7 VanDerWaalsContact C-N 3.3Å; A5-G7 PolarHBondContact O-N 2.86Å | ||
| 6 | G | 37.4 | Very low | 64.2 | Low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | trans | -67.6 | 85.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S4 R8 | S4-G6 PolarHBondContact O-N 2.95Å; G6-R8 PolarHBondContact O-N 3.16Å; G6-R8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | G | 37.5 | Very low | 66.1 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | trans | -54.1 | 120.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A5 A9 | A5-G7 VanDerWaalsContact C-N 3.3Å; A5-G7 PolarHBondContact O-N 2.86Å; G7-A9 PolarHBondContact O-N 2.86Å | ||
| 8 | R | 51.1 | Low | 67.9 | Low | 245 Ų | 245 | 112.8 Ų | 112.8 | 93% | 0.925 | 65% | 0.647 | S | S | * | * | trans | -61.1 | 98.8 | 176.9 | -80.4 | 179.7 | 166.9 | 169.1 | -4.7 | 109.1 | G6 G10 | G6-R8 PolarHBondContact O-N 3.16Å; G6-R8 VanDerWaalsContact O-N 3.16Å; R8-G10 PolarHBondContact O-N 3.3Å | ||
| 9 | A | 64.6 | Low | 69.5 | Low | 90 Ų | 90 | 106.9 Ų | 106.9 | 74% | 0.744 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G7 | G7-A9 PolarHBondContact O-N 2.86Š|
| 10 | G | 82.4 | Confident | 71 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 161.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R8 R12 | R8-G10 PolarHBondContact O-N 3.3Å; G10-R12 PolarHBondContact O-N 2.59Å |
| 11 | L | 91.8 | Very high | 72.3 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 36% | 0.361 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 138.3 | 170.9 | -63.3 | 178.8 | 0 | 0 | 0 | 110 | K39 L41 P42 K246 A247 | L11-K39 WeakPolarHBondContact CA-O 3.33Å; L11-L41 WeakPolarHBondContact CD2-O 3.32Å; L11-P42 HydrophobicContact CD1-CB 4.46Å; L11-P42 HydrophobicContact CD2-CB 4.42Å; L11-K246 HydrophobicContact CD1-CB 4.45Å; L11-A247 HydrophobicContact CD1-CB 4.35Å |
| 12 | R | 94.7 | Very high | 75.3 | Confident | 150 Ų | 150 | 86.6 Ų | 86.6 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 159.7 | 171.1 | -67.4 | 172.8 | 66.8 | -169.4 | 1.8 | 109.5 | G10 S38 K39 H40 | G10-R12 PolarHBondContact O-N 2.59Å; R12-S38 VanDerWaalsContact CD-O 3.28Å; R12-S38 WeakPolarHBondContact CD-O 3.4Å; R12-S38 PolarHBondContact NH1-O 3.03Å; R12-K39 PolarHBondContact N-O 3.33Å; R12-H40 WeakPolarHBondContact CB-CD2 3.3Å; R12-H40 WeakPolarHBondContact CB-NE2 3.42Å |
| 13 | R | 93.6 | Very high | 78.3 | Confident | 231 Ų | 231 | 82.2 Ų | 82.2 | 87% | 0.872 | 47% | 0.471 | S | S | * | . | trans | -123.3 | 137.3 | 172.9 | -64.2 | -178.4 | 178 | -173.3 | -4 | 108.7 | ||||
| 14 | Y | 95.2 | Very high | 81 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | trans | -68.8 | 150.7 | 168.7 | -61.8 | -81.2 | 0 | 0 | 0 | 110 | K16 P18 A35 H40 T394 | Y14-K16 WeakPolarHBondContact CB-O 3.43Å; Y14-K16 PolarHBondContact O-N 3.29Å; Y14-P18 HydrophobicContact CD1-CG 4.14Å; Y14-P18 HydrophobicContact CD2-CG 3.7Å; Y14-P18 HydrophobicContact CE1-CG 4.2Å; Y14-P18 HydrophobicContact CE2-CG 3.77Å; Y14-P18 HydrophobicContact CG-CG 3.9Å; Y14-A35 WeakPolarHBondContact OH-CB 3.29Å; Y14-H40 AromaticContact CD1-NE2 3.96Å; Y14-H40 HydrophobicContact CD2-CB 4.23Å; Y14-H40 AromaticContact CD2-CD2 3.8Å; Y14-H40 AromaticContact CE1-CD2 3.91Å; Y14-H40 AromaticContact CE1-CE1 3.78Å; Y14-H40 AromaticContact CE1-CG 3.92Å; Y14-H40 AromaticContact CE1-ND1 3.84Å; Y14-H40 AromaticContact CE1-NE2 3.88Å; Y14-H40 HydrophobicContact CE2-CB 3.44Å; Y14-H40 VanDerWaalsContact CE2-CB 3.44Å; Y14-H40 AromaticContact CE2-CD2 3.68Å; Y14-H40 AromaticContact CE2-CG 3.47Å; Y14-H40 VanDerWaalsContact CE2-CG 3.47Å; Y14-H40 AromaticContact CG-CD2 3.95Å; Y14-H40 AromaticContact CZ-CD2 3.73Å; Y14-H40 AromaticContact CZ-CE1 3.97Å; Y14-H40 AromaticContact CZ-CG 3.37Å; Y14-H40 AromaticContact CZ-ND1 3.55Å; Y14-H40 PolarHBondContact OH-ND1 3.21Å; Y14-T394 WeakPolarHBondContact CD2-O 3.22Å; Y14-T394 HydrophobicContact CE2-CG2 4.44Å | ||
| 15 | P | 93.9 | Very high | 83.8 | Confident | 126 Ų | 126 | 71.3 Ų | 71.3 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -75.8 | -13.4 | 177.6 | 32.1 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 16 | K | 95.6 | Very high | 86.5 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -144 | 164.6 | 176.1 | -71.6 | -179.9 | 166.1 | -164.4 | 0 | 107.3 | Y14 P18 N429 L430 D431 | Y14-K16 WeakPolarHBondContact CB-O 3.43Å; Y14-K16 PolarHBondContact O-N 3.29Å; K16-P18 VanDerWaalsContact O-CD 3.26Å; K16-P18 WeakPolarHBondContact O-CD 3.21Å; K16-N429 WeakPolarHBondContact CB-O 3.34Å; K16-N429 WeakPolarHBondContact CG-O 3.38Å; K16-L430 WeakPolarHBondContact CD-O 3.4Å; K16-L430 PolarHBondContact NZ-O 3.36Å; K16-D431 HydrophobicContact CB-CB 3.91Å; K16-D431 HydrophobicContact CD-CB 3.93Å |
| 17 | L | 97.6 | Very high | 89.3 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.8 | 170.5 | 178.5 | 61.2 | 0 | 0 | 0 | 109.6 | V19 P393 V396 Y427 L430 D431 | L17-V19 HydrophobicContact CG-CG2 4.46Å; L17-P393 HydrophobicContact CD1-CG 4.03Å; L17-P393 WeakPolarHBondContact CD1-O 3.4Å; L17-P393 HydrophobicContact CD2-CG 4.07Å; L17-V396 HydrophobicContact CD1-CG2 4.18Å; L17-V396 HydrophobicContact CD2-CG2 3.78Å; L17-V396 HydrophobicContact CG-CG2 4.07Å; L17-Y427 HydrophobicContact CD2-CD2 3.44Å; L17-Y427 VanDerWaalsContact CD2-CD2 3.44Å; L17-Y427 HydrophobicContact CD2-CE2 4.22Å; L17-Y427 HydrophobicContact CD2-CG 3.66Å; L17-L430 HydrophobicContact CB-CD2 4.27Å; L17-L430 HydrophobicContact CD2-CD2 4.13Å; L17-L430 HydrophobicContact CG-CD2 4.48Å; L17-D431 PolarHBondContact O-N 2.81Å |
| 18 | P | 98.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.019 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137.6 | 172.3 | 30 | -34.6 | 0 | 0 | 0 | 110.4 | Y14 K16 W20 L395 V396 D431 | Y14-P18 HydrophobicContact CD1-CG 4.14Å; Y14-P18 HydrophobicContact CD2-CG 3.7Å; Y14-P18 HydrophobicContact CE1-CG 4.2Å; Y14-P18 HydrophobicContact CE2-CG 3.77Å; Y14-P18 HydrophobicContact CG-CG 3.9Å; K16-P18 VanDerWaalsContact O-CD 3.26Å; K16-P18 WeakPolarHBondContact O-CD 3.21Å; P18-W20 HydrophobicContact CB-CZ2 4.38Å; P18-L395 HydrophobicContact CG-CB 3.79Å; P18-V396 PolarHBondContact O-N 3.17Å; P18-D431 WeakPolarHBondContact CA-O 3.37Å |
| 19 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | L17 V396 I398 L420 L423 L430 D431 L432 Q433 | L17-V19 HydrophobicContact CG-CG2 4.46Å; V19-V396 WeakPolarHBondContact CA-O 3.41Å; V19-V396 HydrophobicContact CB-CB 4.39Å; V19-V396 HydrophobicContact CG1-CB 4.16Å; V19-V396 HydrophobicContact CG1-CG1 4.4Å; V19-V396 HydrophobicContact CG2-CB 3.98Å; V19-V396 HydrophobicContact CG2-CG2 4.15Å; V19-I398 HydrophobicContact CG1-CD1 3.81Å; V19-I398 HydrophobicContact CG1-CG1 4.32Å; V19-L420 HydrophobicContact CG1-CD2 4.06Å; V19-L423 HydrophobicContact CG1-CD1 4.43Å; V19-L430 HydrophobicContact CG2-CB 4.17Å; V19-L430 HydrophobicContact CG2-CD1 3.97Å; V19-L430 HydrophobicContact CG2-CD2 3.95Å; V19-L430 HydrophobicContact CG2-CG 4.24Å; V19-D431 PolarHBondContact N-O 2.91Å; V19-L432 HydrophobicContact CB-CD1 4.12Å; V19-L432 HydrophobicContact CG1-CD1 4.01Å; V19-L432 WeakPolarHBondContact O-CA 3.49Å; V19-Q433 PolarHBondContact O-N 2.77Å |
| 20 | W | 98.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.4 | 178.8 | -51.9 | 98.5 | 0 | 0 | 0 | 108.5 | P18 F31 V396 T397 I398 Q433 Y435 | P18-W20 HydrophobicContact CB-CZ2 4.38Å; W20-F31 HydrophobicContact CB-CD1 4.26Å; W20-F31 HydrophobicContact CB-CD2 4.46Å; W20-F31 HydrophobicContact CB-CG 4.16Å; W20-F31 HydrophobicContact CD2-CB 4.15Å; W20-F31 AromaticContact CD2-CD1 3.22Å; W20-F31 HydrophobicContact CD2-CD1 3.22Å; W20-F31 AromaticContact CD2-CE1 3.77Å; W20-F31 HydrophobicContact CD2-CE1 3.77Å; W20-F31 AromaticContact CD2-CG 3.85Å; W20-F31 HydrophobicContact CD2-CG 3.85Å; W20-F31 AromaticContact CE2-CD1 3.73Å; W20-F31 AromaticContact CE3-CD1 3.15Å; W20-F31 HydrophobicContact CE3-CD1 3.15Å; W20-F31 AromaticContact CE3-CE1 3.18Å; W20-F31 HydrophobicContact CE3-CE1 3.18Å; W20-F31 HydrophobicContact CE3-CG 4.15Å; W20-F31 HydrophobicContact CE3-CZ 4.22Å; W20-F31 HydrophobicContact CG-CB 3.93Å; W20-F31 AromaticContact CG-CD1 3.71Å; W20-F31 HydrophobicContact CG-CD1 3.71Å; W20-F31 HydrophobicContact CG-CE1 4.38Å; W20-F31 AromaticContact CG-CG 3.83Å; W20-F31 HydrophobicContact CG-CG 3.83Å; W20-F31 HydrophobicContact CH2-CD1 4.1Å; W20-F31 HydrophobicContact CH2-CE1 4.41Å; W20-F31 HydrophobicContact CZ2-CD1 4.15Å; W20-F31 AromaticContact CZ3-CD1 3.61Å; W20-F31 HydrophobicContact CZ3-CD1 3.61Å; W20-F31 AromaticContact CZ3-CE1 3.56Å; W20-F31 HydrophobicContact CZ3-CE1 3.56Å; W20-V396 PolarHBondContact N-O 2.94Å; W20-T397 HydrophobicContact CB-CG2 4.23Å; W20-T397 CarbonylContact O-C 3.55Å; W20-T397 WeakPolarHBondContact O-CA 3.14Å; W20-I398 PolarHBondContact O-N 3Å; W20-Q433 WeakPolarHBondContact CA-O 3.5Å; W20-Q433 HydrophobicContact CD2-CB 4.48Å; W20-Q433 HydrophobicContact CE3-CB 3.52Å; W20-Q433 HydrophobicContact CE3-CG 3.94Å; W20-Q433 HydrophobicContact CH2-CG 4.1Å; W20-Q433 HydrophobicContact CZ3-CB 3.57Å; W20-Q433 HydrophobicContact CZ3-CG 3.56Å; W20-Y435 AromaticContact CE3-CE2 3.75Å; W20-Y435 HydrophobicContact CE3-CE2 3.75Å; W20-Y435 AromaticContact CZ3-CE2 3.88Å; W20-Y435 HydrophobicContact CZ3-CE2 3.88Å |
| 21 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.6 | 172.3 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | I398 R400 L432 Q433 V434 Y435 | V21-I398 WeakPolarHBondContact CA-O 3.16Å; V21-I398 HydrophobicContact CG1-CB 4.45Å; V21-I398 HydrophobicContact CG1-CG2 4.3Å; V21-I398 HydrophobicContact CG2-CB 4.2Å; V21-I398 HydrophobicContact CG2-CD1 4.29Å; V21-R400 HydrophobicContact CG1-CG 3.76Å; V21-L432 HydrophobicContact CG2-CD1 3.76Å; V21-Q433 PolarHBondContact N-O 2.79Å; V21-V434 HydrophobicContact CB-CB 4.43Å; V21-V434 HydrophobicContact CB-CG1 4.24Å; V21-V434 HydrophobicContact CB-CG2 4.17Å; V21-V434 HydrophobicContact CG1-CG1 4.43Å; V21-V434 HydrophobicContact CG2-CG2 4.19Å; V21-Y435 PolarHBondContact O-N 2.72Å |
| 22 | V | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -128.2 | 172.7 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | D24 E27 V28 F31 I398 A399 R400 | V22-D24 VanDerWaalsContact CG2-O 3.31Å; V22-D24 WeakPolarHBondContact CG2-O 3.44Å; V22-E27 HydrophobicContact CB-CB 3.73Å; V22-E27 HydrophobicContact CG1-CB 3.72Å; V22-E27 HydrophobicContact CG2-CB 4.01Å; V22-V28 HydrophobicContact CG2-CG1 3.59Å; V22-F31 HydrophobicContact CG1-CD2 4.47Å; V22-F31 HydrophobicContact CG1-CE2 3.79Å; V22-F31 HydrophobicContact CG1-CZ 4.5Å; V22-I398 PolarHBondContact N-O 3.26Å; V22-A399 HydrophobicContact CG2-CB 4.5Å; V22-R400 WeakPolarHBondContact O-CB 3.27Å; V22-R400 VanDerWaalsContact O-CG 3.25Å; V22-R400 WeakPolarHBondContact O-CG 3.44Å; V22-R400 PolarHBondContact O-N 2.71Å; V22-R400 VanDerWaalsContact O-N 3.16Å | ||
| 23 | E | 96.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -83 | -79.5 | 167.1 | -62.5 | -62 | 157 | 0 | 0 | 109.4 | R400 S401 S402 L403 | E23-R400 PolarHBondContact O-N 3.07Å; E23-R400 IonicContact OE1-CZ 3.43Å; E23-R400 IonicContact OE1-NE 2.63Å; E23-R400 IonicContact OE1-NH1 3.84Å; E23-R400 PolarHBondContact OE1-NH1 3.49Å; E23-R400 WeakPolarHBondContact OE2-CB 3.46Å; E23-R400 IonicContact OE2-CZ 3.29Å; E23-R400 IonicContact OE2-NE 2.69Å; E23-R400 IonicContact OE2-NH1 2.93Å; E23-R400 PolarHBondContact OE2-NH1 3.28Å; E23-S401 PolarHBondContact O-N 3.5Å; E23-S401 VanDerWaalsContact O-N 3.08Å; E23-S402 PolarHBondContact OE2-OG 3Å; E23-L403 HydrophobicContact CB-CD1 3.98Å; E23-L403 HydrophobicContact CB-CG 4.28Å; E23-L403 HydrophobicContact CG-CD1 3.83Å; E23-L403 HydrophobicContact CG-CG 4.2Å |
| 24 | D | 96.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -72.1 | 136.9 | -177.8 | -39.5 | 1.2 | 0 | 0 | 0 | 111.8 | V22 Q26 E27 I80 | V22-D24 VanDerWaalsContact CG2-O 3.31Å; V22-D24 WeakPolarHBondContact CG2-O 3.44Å; D24-Q26 PolarHBondContact O-N 3.43Å; D24-Q26 PolarHBondContact OD2-NE2 3.33Å; D24-E27 WeakPolarHBondContact O-CB 3.3Å; D24-E27 PolarHBondContact O-N 3.12Å; D24-E27 VanDerWaalsContact O-N 3.15Å; D24-I80 HydrophobicContact CB-CG2 4Å |
| 25 | H | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -60.2 | -40.2 | -169.7 | -143.6 | 128.8 | 0 | 0 | 0 | 114.5 | E27 V28 H50 D52 D56 I80 W83 D251 D253 A399 | H25-E27 PolarHBondContact O-N 2.88Å; H25-V28 WeakPolarHBondContact O-CG1 3.46Å; H25-V28 VanDerWaalsContact O-CG2 3.25Å; H25-V28 WeakPolarHBondContact O-CG2 3.42Å; H25-V28 PolarHBondContact O-N 2.86Å; H25-H50 AromaticContact CE1-CE1 3.79Å; H25-D52 IonicContact CE1-OD2 3.84Å; H25-D52 PolarHBondContact CE1-OD2 3.21Å; H25-D52 IonicContact ND1-OD2 2.92Å; H25-D52 PolarHBondContact ND1-OD2 3.46Å; H25-D56 IonicContact CD2-OD2 3.89Å; H25-D56 IonicContact CE1-OD2 2.65Å; H25-D56 IonicContact CG-OD2 2.76Å; H25-D56 IonicContact ND1-OD2 3.92Å; H25-D56 PolarHBondContact ND1-OD2 2.83Å; H25-I80 HydrophobicContact CB-CB 4.49Å; H25-W83 AromaticContact CD2-CE2 3.54Å; H25-W83 AromaticContact CD2-CZ2 3.26Å; H25-W83 WeakPolarHBondContact CD2-CZ2 3.48Å; H25-W83 AromaticContact CD2-NE1 3.52Å; H25-W83 AromaticContact CG-NE1 3.7Å; H25-W83 AromaticContact NE2-CZ2 3.52Å; H25-D251 IonicContact CD2-OD2 3.49Å; H25-D251 IonicContact CE1-OD2 3.9Å; H25-D251 IonicContact NE2-OD1 3.62Å; H25-D251 IonicContact NE2-OD2 3.78Å; H25-D251 PolarHBondContact NE2-OD2 3.33Å; H25-D253 IonicContact CE1-OD2 2.99Å; H25-D253 IonicContact ND1-OD2 3.75Å; H25-D253 PolarHBondContact ND1-OD2 2.77Å; H25-A399 HydrophobicContact CB-CB 3.87Å; H25-A399 VanDerWaalsContact CG-CB 3.43Å; H25-A399 VanDerWaalsContact ND1-CB 3.33Å; H25-A399 WeakPolarHBondContact ND1-CB 3.47Å |
| 26 | Q | 97.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.3 | -179 | 75.6 | -72.1 | -2.8 | 0 | 0 | 113.6 | D24 V28 L29 L78 I80 W83 | D24-Q26 PolarHBondContact O-N 3.43Å; D24-Q26 PolarHBondContact OD2-NE2 3.33Å; Q26-V28 PolarHBondContact O-N 2.91Å; Q26-V28 VanDerWaalsContact O-N 3.17Å; Q26-L29 WeakPolarHBondContact O-CB 2.87Å; Q26-L29 PolarHBondContact O-N 3.22Å; Q26-L78 HydrophobicContact CB-CB 4.07Å; Q26-L78 HydrophobicContact CG-CB 4.26Å; Q26-I80 VanDerWaalsContact OE1-CG2 3.22Å; Q26-W83 HydrophobicContact CB-CB 3.78Å; Q26-W83 HydrophobicContact CB-CG 4.07Å |
| 27 | E | 97 | Very high | 97.6 | Very high | 44 Ų | 44 | 21 Ų | 21 | 21% | 0.206 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -63.1 | -17.8 | 175.1 | -67.5 | -152.9 | 122.9 | 0 | 0 | 113.2 | V22 D24 H25 L29 P30 F31 | V22-E27 HydrophobicContact CB-CB 3.73Å; V22-E27 HydrophobicContact CG1-CB 3.72Å; V22-E27 HydrophobicContact CG2-CB 4.01Å; D24-E27 WeakPolarHBondContact O-CB 3.3Å; D24-E27 PolarHBondContact O-N 3.12Å; D24-E27 VanDerWaalsContact O-N 3.15Å; H25-E27 PolarHBondContact O-N 2.88Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 2.72Å; E27-P30 WeakPolarHBondContact O-CD 3.38Å; E27-F31 WeakPolarHBondContact O-CD2 3.27Å; E27-F31 WeakPolarHBondContact O-CE2 3.41Å |
| 28 | V | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -67 | -29.1 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | V22 H25 Q26 F31 I32 W83 T397 | V22-V28 HydrophobicContact CG2-CG1 3.59Å; H25-V28 WeakPolarHBondContact O-CG1 3.46Å; H25-V28 VanDerWaalsContact O-CG2 3.25Å; H25-V28 WeakPolarHBondContact O-CG2 3.42Å; H25-V28 PolarHBondContact O-N 2.86Å; Q26-V28 PolarHBondContact O-N 2.91Å; Q26-V28 VanDerWaalsContact O-N 3.17Å; V28-F31 WeakPolarHBondContact O-CB 3.36Å; V28-F31 PolarHBondContact O-N 2.98Å; V28-I32 HydrophobicContact CG2-CD1 4.3Å; V28-I32 PolarHBondContact O-N 3.25Å; V28-W83 HydrophobicContact CG2-CE3 4.2Å; V28-W83 HydrophobicContact CG2-CH2 3.25Å; V28-W83 HydrophobicContact CG2-CZ2 3.72Å; V28-W83 HydrophobicContact CG2-CZ3 3.56Å; V28-T397 HydrophobicContact CB-CG2 3.69Å; V28-T397 HydrophobicContact CG1-CG2 4.1Å |
| 29 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | -171.1 | -170.1 | 66 | 0 | 0 | 0 | 113.9 | Q26 E27 F31 I32 Y33 L74 F75 L78 W83 A87 | Q26-L29 WeakPolarHBondContact O-CB 2.87Å; Q26-L29 PolarHBondContact O-N 3.22Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 2.72Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 2.98Å; L29-I32 VanDerWaalsContact O-N 3.12Å; L29-Y33 HydrophobicContact CD1-CD1 3.82Å; L29-Y33 HydrophobicContact CD1-CE1 3.55Å; L29-Y33 HydrophobicContact CD2-CE1 4.21Å; L29-Y33 HydrophobicContact CG-CD1 3.95Å; L29-Y33 HydrophobicContact CG-CE1 3.81Å; L29-Y33 PolarHBondContact O-N 2.92Å; L29-L74 HydrophobicContact CD2-CD2 4.5Å; L29-F75 HydrophobicContact CD2-CD1 4.37Å; L29-F75 HydrophobicContact CD2-CE1 4.03Å; L29-F75 HydrophobicContact CG-CE1 4.11Å; L29-L78 HydrophobicContact CD2-CD1 3.56Å; L29-W83 HydrophobicContact CB-CE3 4.04Å; L29-W83 HydrophobicContact CB-CZ3 4.41Å; L29-W83 HydrophobicContact CD1-CE3 3.98Å; L29-W83 HydrophobicContact CD1-CZ3 4.03Å; L29-W83 HydrophobicContact CG-CE3 4.42Å; L29-A87 HydrophobicContact CD1-CB 3.91Å |
| 30 | P | 97.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 29 Ų | 29 | 16% | 0.156 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -48 | -35.8 | 167.9 | -31.5 | 31.9 | 0 | 0 | 0 | 115.4 | E27 R34 F75 | E27-P30 WeakPolarHBondContact O-CD 3.38Å; P30-R34 WeakPolarHBondContact O-CB 3.08Å; P30-R34 PolarHBondContact O-N 3.15Å; P30-F75 HydrophobicContact CB-CE2 4.08Å; P30-F75 HydrophobicContact CB-CZ 4.3Å; P30-F75 HydrophobicContact CG-CD1 4.3Å; P30-F75 HydrophobicContact CG-CD2 3.86Å; P30-F75 HydrophobicContact CG-CE1 4.26Å; P30-F75 HydrophobicContact CG-CE2 3.81Å; P30-F75 HydrophobicContact CG-CG 4.13Å; P30-F75 HydrophobicContact CG-CZ 4.02Å |
| 31 | F | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.022 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.5 | -37.3 | -179.9 | -58.3 | -87.5 | 0 | 0 | 0 | 111.9 | W20 V22 E27 V28 L29 R34 A35 Y435 | W20-F31 HydrophobicContact CB-CD1 4.26Å; W20-F31 HydrophobicContact CB-CD2 4.46Å; W20-F31 HydrophobicContact CB-CG 4.16Å; W20-F31 HydrophobicContact CD2-CB 4.15Å; W20-F31 AromaticContact CD2-CD1 3.22Å; W20-F31 HydrophobicContact CD2-CD1 3.22Å; W20-F31 AromaticContact CD2-CE1 3.77Å; W20-F31 HydrophobicContact CD2-CE1 3.77Å; W20-F31 AromaticContact CD2-CG 3.85Å; W20-F31 HydrophobicContact CD2-CG 3.85Å; W20-F31 AromaticContact CE2-CD1 3.73Å; W20-F31 AromaticContact CE3-CD1 3.15Å; W20-F31 HydrophobicContact CE3-CD1 3.15Å; W20-F31 AromaticContact CE3-CE1 3.18Å; W20-F31 HydrophobicContact CE3-CE1 3.18Å; W20-F31 HydrophobicContact CE3-CG 4.15Å; W20-F31 HydrophobicContact CE3-CZ 4.22Å; W20-F31 HydrophobicContact CG-CB 3.93Å; W20-F31 AromaticContact CG-CD1 3.71Å; W20-F31 HydrophobicContact CG-CD1 3.71Å; W20-F31 HydrophobicContact CG-CE1 4.38Å; W20-F31 AromaticContact CG-CG 3.83Å; W20-F31 HydrophobicContact CG-CG 3.83Å; W20-F31 HydrophobicContact CH2-CD1 4.1Å; W20-F31 HydrophobicContact CH2-CE1 4.41Å; W20-F31 HydrophobicContact CZ2-CD1 4.15Å; W20-F31 AromaticContact CZ3-CD1 3.61Å; W20-F31 HydrophobicContact CZ3-CD1 3.61Å; W20-F31 AromaticContact CZ3-CE1 3.56Å; W20-F31 HydrophobicContact CZ3-CE1 3.56Å; V22-F31 HydrophobicContact CG1-CD2 4.47Å; V22-F31 HydrophobicContact CG1-CE2 3.79Å; V22-F31 HydrophobicContact CG1-CZ 4.5Å; E27-F31 WeakPolarHBondContact O-CD2 3.27Å; E27-F31 WeakPolarHBondContact O-CE2 3.41Å; V28-F31 WeakPolarHBondContact O-CB 3.36Å; V28-F31 PolarHBondContact O-N 2.98Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; F31-R34 VanDerWaalsContact CE1-NH1 3.28Å; F31-R34 WeakPolarHBondContact O-CB 3.36Å; F31-R34 PolarHBondContact O-N 3.32Å; F31-A35 PolarHBondContact O-N 3.14Å; F31-Y435 HydrophobicContact CE1-CD2 4Å; F31-Y435 HydrophobicContact CE1-CE1 4.36Å; F31-Y435 AromaticContact CE1-CE2 3.44Å; F31-Y435 HydrophobicContact CE1-CE2 3.44Å; F31-Y435 VanDerWaalsContact CE1-CE2 3.44Å; F31-Y435 AromaticContact CE1-CZ 3.63Å; F31-Y435 HydrophobicContact CZ-CD1 4.22Å; F31-Y435 AromaticContact CZ-CD2 3.64Å; F31-Y435 HydrophobicContact CZ-CD2 3.64Å; F31-Y435 HydrophobicContact CZ-CE1 4.11Å; F31-Y435 AromaticContact CZ-CE2 3.55Å; F31-Y435 HydrophobicContact CZ-CE2 3.55Å; F31-Y435 AromaticContact CZ-CG 4Å; F31-Y435 HydrophobicContact CZ-CG 4Å; F31-Y435 AromaticContact CZ-CZ 3.78Å |
| 32 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -48.7 | 172.8 | -60.5 | 174.5 | 0 | 0 | 0 | 110 | V28 L29 R34 A35 I36 L41 F48 W83 F93 V249 L395 T397 | V28-I32 HydrophobicContact CG2-CD1 4.3Å; V28-I32 PolarHBondContact O-N 3.25Å; L29-I32 PolarHBondContact O-N 2.98Å; L29-I32 VanDerWaalsContact O-N 3.12Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.75Å; I32-A35 WeakPolarHBondContact O-CB 3.25Å; I32-A35 PolarHBondContact O-N 3.07Å; I32-I36 HydrophobicContact CG2-CD1 4.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.28Å; I32-I36 PolarHBondContact O-N 3.49Å; I32-L41 HydrophobicContact CG2-CD1 3.9Å; I32-F48 HydrophobicContact CD1-CE2 4.01Å; I32-W83 HydrophobicContact CD1-CH2 4.49Å; I32-W83 HydrophobicContact CD1-CZ3 4.22Å; I32-F93 HydrophobicContact CD1-CZ 4.07Å; I32-F93 HydrophobicContact CG2-CE1 4.02Å; I32-F93 HydrophobicContact CG2-CZ 4.17Å; I32-V249 HydrophobicContact CD1-CG1 4.14Å; I32-V249 HydrophobicContact CG1-CG1 4.4Å; I32-V249 HydrophobicContact CG1-CG2 4.44Å; I32-V249 HydrophobicContact CG2-CG2 4.34Å; I32-L395 HydrophobicContact CG1-CD1 4.35Å; I32-T397 HydrophobicContact CG1-CG2 4.48Å |
| 33 | Y | 97.8 | Very high | 97 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.9 | -86.2 | 44.2 | 0 | 0 | 0 | 111.6 | L29 A35 I36 G37 L74 F75 A87 H92 | L29-Y33 HydrophobicContact CD1-CD1 3.82Å; L29-Y33 HydrophobicContact CD1-CE1 3.55Å; L29-Y33 HydrophobicContact CD2-CE1 4.21Å; L29-Y33 HydrophobicContact CG-CD1 3.95Å; L29-Y33 HydrophobicContact CG-CE1 3.81Å; L29-Y33 PolarHBondContact O-N 2.92Å; Y33-A35 PolarHBondContact O-N 3.24Å; Y33-I36 PolarHBondContact O-N 3.03Å; Y33-G37 PolarHBondContact O-N 3.38Å; Y33-L74 HydrophobicContact CE2-CD2 4.35Å; Y33-F75 HydrophobicContact CD2-CE1 4.3Å; Y33-F75 AromaticContact CD2-CZ 3.96Å; Y33-F75 HydrophobicContact CD2-CZ 3.96Å; Y33-F75 HydrophobicContact CE2-CE1 4.47Å; Y33-F75 HydrophobicContact CG-CZ 4.19Å; Y33-A87 HydrophobicContact CE1-CB 4.36Å; Y33-H92 AromaticContact CE1-CD2 3.65Å; Y33-H92 AromaticContact CZ-CD2 3.72Å; Y33-H92 AromaticContact CZ-NE2 3.94Å |
| 34 | R | 97.3 | Very high | 96.8 | Very high | 96 Ų | 96 | 33.9 Ų | 33.9 | 36% | 0.362 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 172.8 | -166.7 | -171.7 | -48.9 | 162.2 | 10.3 | 112.2 | P30 F31 I32 S38 | P30-R34 WeakPolarHBondContact O-CB 3.08Å; P30-R34 PolarHBondContact O-N 3.15Å; F31-R34 VanDerWaalsContact CE1-NH1 3.28Å; F31-R34 WeakPolarHBondContact O-CB 3.36Å; F31-R34 PolarHBondContact O-N 3.32Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.75Å; R34-S38 WeakPolarHBondContact O-CB 3.2Å; R34-S38 PolarHBondContact O-N 2.85Å; R34-S38 PolarHBondContact O-OG 2.67Å |
| 35 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.4 | -33.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y14 F31 I32 Y33 S38 K39 H40 L41 L395 | Y14-A35 WeakPolarHBondContact OH-CB 3.29Å; F31-A35 PolarHBondContact O-N 3.14Å; I32-A35 WeakPolarHBondContact O-CB 3.25Å; I32-A35 PolarHBondContact O-N 3.07Å; Y33-A35 PolarHBondContact O-N 3.24Å; A35-S38 PolarHBondContact O-OG 3.4Å; A35-K39 PolarHBondContact O-N 2.92Å; A35-H40 PolarHBondContact O-N 3.2Å; A35-L41 HydrophobicContact CB-CD1 3.81Å; A35-L41 HydrophobicContact CB-CG 3.98Å; A35-L41 PolarHBondContact O-N 2.92Å; A35-L395 HydrophobicContact CB-CD2 3.36Å |
| 36 | I | 97 | Very high | 96.4 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -56.8 | 171.4 | -64.3 | 169 | 0 | 0 | 0 | 110.4 | I32 Y33 S38 K39 L41 A43 I46 H92 | I32-I36 HydrophobicContact CG2-CD1 4.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.28Å; I32-I36 PolarHBondContact O-N 3.49Å; Y33-I36 PolarHBondContact O-N 3.03Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 2.69Å; I36-K39 WeakPolarHBondContact O-CA 3.42Å; I36-K39 PolarHBondContact O-N 2.78Å; I36-L41 HydrophobicContact CB-CB 4.49Å; I36-L41 HydrophobicContact CG1-CB 3.72Å; I36-L41 HydrophobicContact CG1-CD1 3.99Å; I36-A43 HydrophobicContact CG2-CB 4.5Å; I36-I46 HydrophobicContact CD1-CD1 3.68Å; I36-I46 HydrophobicContact CG1-CD1 3.9Å; I36-H92 HydrophobicContact CD1-CB 3.97Å |
| 37 | G | 96.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 62% | 0.619 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.8 | -36 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y33 K39 | Y33-G37 PolarHBondContact O-N 3.38Å; G37-K39 VanDerWaalsContact C-N 3.25Å; G37-K39 PolarHBondContact O-N 3.49Å |
| 38 | S | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.8 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | R12 R34 A35 I36 H40 | R12-S38 VanDerWaalsContact CD-O 3.28Å; R12-S38 WeakPolarHBondContact CD-O 3.4Å; R12-S38 PolarHBondContact NH1-O 3.03Å; R34-S38 WeakPolarHBondContact O-CB 3.2Å; R34-S38 PolarHBondContact O-N 2.85Å; R34-S38 PolarHBondContact O-OG 2.67Å; A35-S38 PolarHBondContact O-OG 3.4Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 2.69Å; S38-H40 PolarHBondContact OG-ND1 3.29Å |
| 39 | K | 96.3 | Very high | 96.4 | Very high | 141 Ų | 141 | 32.7 Ų | 32.7 | 61% | 0.613 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 35.3 | 177.4 | -52.4 | 178.8 | -176 | 176.2 | 0 | 115.1 | L11 R12 A35 I36 G37 | L11-K39 WeakPolarHBondContact CA-O 3.33Å; R12-K39 PolarHBondContact N-O 3.33Å; A35-K39 PolarHBondContact O-N 2.92Å; I36-K39 WeakPolarHBondContact O-CA 3.42Å; I36-K39 PolarHBondContact O-N 2.78Å; G37-K39 VanDerWaalsContact C-N 3.25Å; G37-K39 PolarHBondContact O-N 3.49Å |
| 40 | H | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.3 | -43.3 | 165.3 | -61.8 | 92.6 | 0 | 0 | 0 | 110.4 | R12 Y14 A35 S38 T394 | R12-H40 WeakPolarHBondContact CB-CD2 3.3Å; R12-H40 WeakPolarHBondContact CB-NE2 3.42Å; Y14-H40 AromaticContact CD1-NE2 3.96Å; Y14-H40 HydrophobicContact CD2-CB 4.23Å; Y14-H40 AromaticContact CD2-CD2 3.8Å; Y14-H40 AromaticContact CE1-CD2 3.91Å; Y14-H40 AromaticContact CE1-CE1 3.78Å; Y14-H40 AromaticContact CE1-CG 3.92Å; Y14-H40 AromaticContact CE1-ND1 3.84Å; Y14-H40 AromaticContact CE1-NE2 3.88Å; Y14-H40 HydrophobicContact CE2-CB 3.44Å; Y14-H40 VanDerWaalsContact CE2-CB 3.44Å; Y14-H40 AromaticContact CE2-CD2 3.68Å; Y14-H40 AromaticContact CE2-CG 3.47Å; Y14-H40 VanDerWaalsContact CE2-CG 3.47Å; Y14-H40 AromaticContact CG-CD2 3.95Å; Y14-H40 AromaticContact CZ-CD2 3.73Å; Y14-H40 AromaticContact CZ-CE1 3.97Å; Y14-H40 AromaticContact CZ-CG 3.37Å; Y14-H40 AromaticContact CZ-ND1 3.55Å; Y14-H40 PolarHBondContact OH-ND1 3.21Å; A35-H40 PolarHBondContact O-N 3.2Å; S38-H40 PolarHBondContact OG-ND1 3.29Å; H40-T394 HydrophobicContact CB-CG2 4.33Å |
| 41 | L | 96.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -87.7 | 154.5 | 164.5 | -69.9 | 173.3 | 0 | 0 | 0 | 111 | L11 I32 A35 I36 I46 A247 V249 T394 L395 | L11-L41 WeakPolarHBondContact CD2-O 3.32Å; I32-L41 HydrophobicContact CG2-CD1 3.9Å; A35-L41 HydrophobicContact CB-CD1 3.81Å; A35-L41 HydrophobicContact CB-CG 3.98Å; A35-L41 PolarHBondContact O-N 2.92Å; I36-L41 HydrophobicContact CB-CB 4.49Å; I36-L41 HydrophobicContact CG1-CB 3.72Å; I36-L41 HydrophobicContact CG1-CD1 3.99Å; L41-I46 HydrophobicContact CB-CD1 4.22Å; L41-I46 HydrophobicContact CD1-CD1 4.22Å; L41-I46 HydrophobicContact CD2-CG2 4.42Å; L41-A247 HydrophobicContact CD2-CB 3.86Å; L41-V249 HydrophobicContact CD1-CG2 3.76Å; L41-V249 HydrophobicContact CD2-CG2 4.15Å; L41-T394 HydrophobicContact CD2-CG2 3.79Å; L41-T394 HydrophobicContact CG-CG2 4.2Å; L41-L395 HydrophobicContact CD1-CD2 3.91Å; L41-L395 HydrophobicContact CG-CD2 4.45Å |
| 42 | P | 95.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 13% | 0.13 | 18% | 0.183 | C | C | . | . | trans | -70.7 | 165.1 | 165.6 | 33.2 | -35.5 | 0 | 0 | 0 | 111.1 | L11 S44 I46 A247 | L11-P42 HydrophobicContact CD1-CB 4.46Å; L11-P42 HydrophobicContact CD2-CB 4.42Å; P42-S44 VanDerWaalsContact C-N 3.31Å; P42-S44 WeakPolarHBondContact CG-O 3.45Å; P42-S44 PolarHBondContact O-N 3.15Å; P42-I46 HydrophobicContact CG-CG1 3.81Å; P42-A247 HydrophobicContact CG-CB 4.46Å | ||
| 43 | A | 94.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 59% | 0.587 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -77.9 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | I36 H92 | I36-A43 HydrophobicContact CG2-CB 4.5Å; A43-H92 PolarHBondContact O-ND1 3.33Å |
| 44 | S | 93.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -155.5 | 168.3 | 179.1 | 75 | 0 | 0 | 0 | 0 | 110.6 | P42 I46 G91 H92 | P42-S44 VanDerWaalsContact C-N 3.31Å; P42-S44 WeakPolarHBondContact CG-O 3.45Å; P42-S44 PolarHBondContact O-N 3.15Å; S44-I46 VanDerWaalsContact C-N 3.29Å; S44-I46 PolarHBondContact O-N 2.95Å; S44-G91 VanDerWaalsContact CA-O 3.27Å; S44-G91 WeakPolarHBondContact CA-O 3.33Å; S44-G91 WeakPolarHBondContact CB-O 3.43Å; S44-H92 CarbonylContact C-O 3.58Å |
| 45 | N | 91.2 | Very high | 96.6 | Very high | 100 Ų | 100 | 26 Ų | 26 | 54% | 0.535 | 16% | 0.164 | S | C | . | . | trans | 58.6 | 41 | 177.5 | -53.5 | 66.8 | 0 | 0 | 0 | 112.4 | H92 | N45-H92 PolarHBondContact N-O 2.95Š| ||
| 46 | I | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 136.1 | 166.6 | -58.3 | 163 | 0 | 0 | 0 | 107.6 | I36 L41 P42 S44 H92 F93 S94 V249 | I36-I46 HydrophobicContact CD1-CD1 3.68Å; I36-I46 HydrophobicContact CG1-CD1 3.9Å; L41-I46 HydrophobicContact CB-CD1 4.22Å; L41-I46 HydrophobicContact CD1-CD1 4.22Å; L41-I46 HydrophobicContact CD2-CG2 4.42Å; P42-I46 HydrophobicContact CG-CG1 3.81Å; S44-I46 VanDerWaalsContact C-N 3.29Å; S44-I46 PolarHBondContact O-N 2.95Å; I46-H92 WeakPolarHBondContact CB-O 3.28Å; I46-H92 HydrophobicContact CD1-CB 4.21Å; I46-H92 PolarHBondContact N-O 3.43Å; I46-F93 HydrophobicContact CB-CD1 4.09Å; I46-F93 HydrophobicContact CD1-CD1 4.46Å; I46-F93 HydrophobicContact CG2-CD1 4.12Å; I46-F93 HydrophobicContact CG2-CE1 4.29Å; I46-S94 PolarHBondContact O-N 3.42Å; I46-V249 HydrophobicContact CG2-CG2 4.28Å |
| 47 | S | 95.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.8 | 162.3 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | H95 F248 V249 | S47-H95 WeakPolarHBondContact CA-O 3.32Å; S47-F248 WeakPolarHBondContact O-CA 3.48Å; S47-F248 VanDerWaalsContact O-CB 3.23Å; S47-F248 WeakPolarHBondContact O-CB 3.33Å; S47-V249 PolarHBondContact O-N 3.12Å; S47-V249 VanDerWaalsContact O-N 3.1Å |
| 48 | F | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.8 | 179.6 | -173 | -105.5 | 0 | 0 | 0 | 108.1 | I32 H50 W83 I84 F93 H95 V96 V97 V249 D251 | I32-F48 HydrophobicContact CD1-CE2 4.01Å; F48-H50 HydrophobicContact CD1-CB 3.99Å; F48-H50 HydrophobicContact CE1-CB 3.52Å; F48-H50 AromaticContact CE1-CG 3.9Å; F48-H50 HydrophobicContact CZ-CB 4.24Å; F48-W83 HydrophobicContact CE1-CH2 4.12Å; F48-W83 AromaticContact CE2-CH2 3.98Å; F48-W83 HydrophobicContact CE2-CH2 3.98Å; F48-W83 AromaticContact CZ-CH2 3.39Å; F48-W83 HydrophobicContact CZ-CH2 3.39Å; F48-W83 HydrophobicContact CZ-CZ2 4.03Å; F48-W83 HydrophobicContact CZ-CZ3 4.29Å; F48-I84 HydrophobicContact CD1-CD1 4.29Å; F48-I84 HydrophobicContact CD1-CG2 4.46Å; F48-I84 HydrophobicContact CE1-CD1 3.62Å; F48-I84 HydrophobicContact CE1-CG1 4.14Å; F48-I84 HydrophobicContact CZ-CD1 4.49Å; F48-F93 HydrophobicContact CB-CD1 4.31Å; F48-F93 HydrophobicContact CB-CD2 4.45Å; F48-F93 HydrophobicContact CB-CE1 4.46Å; F48-F93 HydrophobicContact CB-CG 4.32Å; F48-F93 AromaticContact CD2-CE1 3.99Å; F48-F93 HydrophobicContact CD2-CE1 3.99Å; F48-F93 HydrophobicContact CD2-CE2 4.04Å; F48-F93 AromaticContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CE2-CE2 4.46Å; F48-F93 HydrophobicContact CE2-CZ 4.1Å; F48-F93 HydrophobicContact CG-CD2 4.42Å; F48-F93 HydrophobicContact CG-CE1 4.45Å; F48-F93 HydrophobicContact CG-CE2 4.13Å; F48-F93 HydrophobicContact CG-CZ 4.15Å; F48-H95 PolarHBondContact N-O 2.99Å; F48-V96 HydrophobicContact CB-CG2 4.32Å; F48-V96 HydrophobicContact CD1-CG1 4.26Å; F48-V96 HydrophobicContact CD1-CG2 4.28Å; F48-V96 CarbonylContact O-C 3.55Å; F48-V96 WeakPolarHBondContact O-CA 3.45Å; F48-V97 PolarHBondContact O-N 3.27Å; F48-V249 HydrophobicContact CD2-CB 3.88Å; F48-V249 HydrophobicContact CD2-CG1 4.01Å; F48-V249 HydrophobicContact CE2-CB 4.22Å; F48-V249 HydrophobicContact CE2-CG1 3.81Å; F48-D251 HydrophobicContact CE1-CB 4.27Å; F48-D251 HydrophobicContact CE2-CB 3.69Å; F48-D251 HydrophobicContact CZ-CB 3.39Å |
| 49 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.4 | -179.3 | -86.5 | 65.2 | 0 | 0 | 0 | 107.7 | V97 F99 I238 L242 F248 V249 L250 D251 L390 | L49-V97 HydrophobicContact CD1-CB 4.35Å; L49-V97 HydrophobicContact CD1-CG2 4.18Å; L49-V97 HydrophobicContact CG-CB 4.17Å; L49-V97 HydrophobicContact CG-CG2 4.48Å; L49-F99 HydrophobicContact CB-CE2 4.11Å; L49-F99 HydrophobicContact CD2-CE2 4.03Å; L49-F99 HydrophobicContact CG-CE2 3.88Å; L49-I238 HydrophobicContact CD2-CG2 4.22Å; L49-L242 HydrophobicContact CD1-CD2 4Å; L49-L242 HydrophobicContact CD2-CD1 4.23Å; L49-F248 HydrophobicContact CB-CD2 4.38Å; L49-F248 HydrophobicContact CD1-CD2 4.02Å; L49-F248 HydrophobicContact CD2-CD2 4.04Å; L49-F248 HydrophobicContact CD2-CE2 3.91Å; L49-F248 HydrophobicContact CG-CD2 4.37Å; L49-V249 PolarHBondContact N-O 3.14Å; L49-L250 HydrophobicContact CB-CD1 4.46Å; L49-D251 PolarHBondContact O-N 3.02Å; L49-L390 HydrophobicContact CD2-CD1 3.67Å |
| 50 | H | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.7 | -163.4 | 168.1 | 71.5 | 0 | 0 | 0 | 109.1 | H25 F48 D52 H54 P55 D56 V97 W98 F99 D251 | H25-H50 AromaticContact CE1-CE1 3.79Å; F48-H50 HydrophobicContact CD1-CB 3.99Å; F48-H50 HydrophobicContact CE1-CB 3.52Å; F48-H50 AromaticContact CE1-CG 3.9Å; F48-H50 HydrophobicContact CZ-CB 4.24Å; H50-D52 IonicContact CE1-OD2 3.71Å; H50-D52 PolarHBondContact CE1-OD2 3.4Å; H50-D52 IonicContact ND1-OD2 3.59Å; H50-D52 IonicContact NE2-OD2 3.86Å; H50-H54 PolarHBondContact NE2-O 3.3Å; H50-P55 PolarHBondContact NE2-O 2.89Å; H50-D56 IonicContact CE1-OD2 3.79Å; H50-V97 PolarHBondContact N-O 2.77Å; H50-W98 AromaticContact CD2-CD1 3.46Å; H50-W98 VanDerWaalsContact CD2-CD1 3.46Å; H50-F99 PolarHBondContact O-N 2.85Å; H50-D251 WeakPolarHBondContact CA-O 3.21Å; H50-D251 HydrophobicContact CB-CB 4.47Å; H50-D251 IonicContact CE1-OD2 3.45Å; H50-D251 IonicContact CG-OD2 3.92Å; H50-D251 IonicContact ND1-OD2 3.44Å; H50-D251 PolarHBondContact ND1-OD2 2.91Å |
| 51 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111 | 178.7 | -73.2 | -96.9 | 0 | 0 | 0 | 108.8 | F99 V159 L250 D251 I252 D253 F256 V383 L386 L387 | F51-F99 WeakPolarHBondContact CA-O 3.45Å; F51-F99 HydrophobicContact CD1-CB 3.39Å; F51-F99 HydrophobicContact CD1-CD2 4.18Å; F51-F99 AromaticContact CD1-CG 3.98Å; F51-F99 HydrophobicContact CD1-CG 3.98Å; F51-F99 HydrophobicContact CD2-CB 4.34Å; F51-F99 AromaticContact CD2-CD2 3.85Å; F51-F99 HydrophobicContact CD2-CD2 3.85Å; F51-F99 HydrophobicContact CD2-CG 4.46Å; F51-F99 HydrophobicContact CE1-CB 3.49Å; F51-F99 VanDerWaalsContact CE1-CB 3.49Å; F51-F99 HydrophobicContact CE1-CD1 4.29Å; F51-F99 AromaticContact CE1-CD2 3.76Å; F51-F99 HydrophobicContact CE1-CD2 3.76Å; F51-F99 AromaticContact CE1-CG 3.59Å; F51-F99 HydrophobicContact CE1-CG 3.59Å; F51-F99 HydrophobicContact CE2-CB 4.42Å; F51-F99 AromaticContact CE2-CD2 3.39Å; F51-F99 HydrophobicContact CE2-CD2 3.39Å; F51-F99 AromaticContact CE2-CE2 3.87Å; F51-F99 HydrophobicContact CE2-CE2 3.87Å; F51-F99 HydrophobicContact CE2-CG 4.11Å; F51-F99 HydrophobicContact CG-CB 3.85Å; F51-F99 HydrophobicContact CG-CD2 4.21Å; F51-F99 HydrophobicContact CG-CG 4.4Å; F51-F99 HydrophobicContact CZ-CB 4.03Å; F51-F99 HydrophobicContact CZ-CD1 4.37Å; F51-F99 AromaticContact CZ-CD2 3.34Å; F51-F99 HydrophobicContact CZ-CD2 3.34Å; F51-F99 AromaticContact CZ-CE2 3.8Å; F51-F99 HydrophobicContact CZ-CE2 3.8Å; F51-F99 AromaticContact CZ-CG 3.65Å; F51-F99 HydrophobicContact CZ-CG 3.65Å; F51-F99 HydrophobicContact CZ-CZ 4.5Å; F51-V159 HydrophobicContact CE1-CG2 4.24Å; F51-L250 HydrophobicContact CD2-CD1 3.79Å; F51-L250 HydrophobicContact CE2-CD1 3.63Å; F51-D251 PolarHBondContact N-O 3.24Å; F51-I252 HydrophobicContact CB-CB 4.48Å; F51-I252 HydrophobicContact CB-CG1 4.33Å; F51-I252 HydrophobicContact CB-CG2 4.31Å; F51-I252 HydrophobicContact CD2-CG1 4.26Å; F51-I252 WeakPolarHBondContact O-CA 3.35Å; F51-D253 PolarHBondContact O-N 3.2Å; F51-F256 HydrophobicContact CB-CD2 4.04Å; F51-F256 HydrophobicContact CB-CE2 4.44Å; F51-F256 HydrophobicContact CB-CG 4.11Å; F51-F256 HydrophobicContact CD1-CD2 4.41Å; F51-F256 HydrophobicContact CD1-CE1 4.32Å; F51-F256 AromaticContact CD1-CE2 3.97Å; F51-F256 HydrophobicContact CD1-CE2 3.97Å; F51-F256 AromaticContact CD1-CZ 3.92Å; F51-F256 HydrophobicContact CD1-CZ 3.92Å; F51-V383 HydrophobicContact CD1-CG1 4.22Å; F51-V383 HydrophobicContact CD1-CG2 3.77Å; F51-V383 HydrophobicContact CE1-CB 4.36Å; F51-V383 HydrophobicContact CE1-CG1 3.97Å; F51-V383 HydrophobicContact CE1-CG2 3.8Å; F51-V383 HydrophobicContact CZ-CG1 4.16Å; F51-L386 HydrophobicContact CE1-CD1 4.26Å; F51-L386 HydrophobicContact CZ-CD1 4.15Å; F51-L386 HydrophobicContact CZ-CD2 4.25Å; F51-L387 HydrophobicContact CE2-CD2 4.06Å; F51-L387 HydrophobicContact CZ-CD2 4.26Å |
| 52 | D | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -161.1 | 152.8 | -163.9 | -154 | -56.2 | 0 | 0 | 0 | 111.7 | H25 H50 H54 W98 F99 H100 P101 D253 | H25-D52 IonicContact CE1-OD2 3.84Å; H25-D52 PolarHBondContact CE1-OD2 3.21Å; H25-D52 IonicContact ND1-OD2 2.92Å; H25-D52 PolarHBondContact ND1-OD2 3.46Å; H50-D52 IonicContact CE1-OD2 3.71Å; H50-D52 PolarHBondContact CE1-OD2 3.4Å; H50-D52 IonicContact ND1-OD2 3.59Å; H50-D52 IonicContact NE2-OD2 3.86Å; D52-H54 VanDerWaalsContact CB-O 3.24Å; D52-H54 WeakPolarHBondContact CB-O 3.28Å; D52-H54 VanDerWaalsContact CG-O 3.3Å; D52-H54 WeakPolarHBondContact OD1-CA 3.39Å; D52-H54 PolarHBondContact OD1-N 3.13Å; D52-H54 IonicContact OD1-ND1 3.49Å; D52-W98 PolarHBondContact O-NE1 2.93Å; D52-F99 PolarHBondContact N-O 2.88Å; D52-H100 WeakPolarHBondContact O-CA 3.46Å; D52-P101 WeakPolarHBondContact O-CD 3.27Å; D52-D253 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 53 | S | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -79 | -20.4 | 166.8 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | W103 A104 Q106 D255 P367 | S53-W103 PolarHBondContact OG-NE1 2.67Å; S53-A104 WeakPolarHBondContact O-CB 3.26Å; S53-Q106 PolarHBondContact O-OE1 3.36Å; S53-D255 WeakPolarHBondContact CA-OD1 3.2Å; S53-D255 WeakPolarHBondContact CB-OD1 3.16Å; S53-D255 WeakPolarHBondContact CB-OD2 3.4Å; S53-D255 PolarHBondContact N-OD1 2.87Å; S53-D255 PolarHBondContact OG-O 3.37Å; S53-D255 VanDerWaalsContact OG-O 3.12Å; S53-D255 PolarHBondContact OG-OD1 3.29Å; S53-P367 WeakPolarHBondContact O-CG 3.42Å |
| 54 | H | 97.9 | Very high | 96.3 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -114.3 | 161.1 | 179.9 | -50.9 | 101 | 0 | 0 | 0 | 110.7 | H50 D52 W98 D255 Y406 | H50-H54 PolarHBondContact NE2-O 3.3Å; D52-H54 VanDerWaalsContact CB-O 3.24Å; D52-H54 WeakPolarHBondContact CB-O 3.28Å; D52-H54 VanDerWaalsContact CG-O 3.3Å; D52-H54 WeakPolarHBondContact OD1-CA 3.39Å; D52-H54 PolarHBondContact OD1-N 3.13Å; D52-H54 IonicContact OD1-ND1 3.49Å; H54-W98 VanDerWaalsContact O-CE2 3.24Å; H54-W98 PolarHBondContact O-NE1 3.04Å; H54-D255 IonicContact CE1-OD2 3.95Å; H54-D255 PolarHBondContact CE1-OD2 3.03Å; H54-D255 IonicContact ND1-OD2 3.92Å; H54-D255 PolarHBondContact ND1-OD2 3.34Å; H54-Y406 AromaticContact CE1-CD1 3.52Å; H54-Y406 AromaticContact CE1-CE1 3.86Å; H54-Y406 AromaticContact NE2-CD1 3.95Å; H54-Y406 AromaticContact NE2-CE1 3.87Å |
| 55 | P | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | trans | -90.3 | -19 | -177.1 | -13 | 31.3 | 0 | 0 | 0 | 115.9 | H50 L57 W98 Q106 I107 Y133 | H50-P55 PolarHBondContact NE2-O 2.89Å; P55-L57 HydrophobicContact CB-CB 4.49Å; P55-L57 HydrophobicContact CB-CG 4.14Å; P55-L57 WeakPolarHBondContact O-CD2 3.41Å; P55-L57 VanDerWaalsContact O-CG 3.25Å; P55-L57 WeakPolarHBondContact O-CG 3.48Å; P55-L57 PolarHBondContact O-N 2.9Å; P55-L57 VanDerWaalsContact O-N 3.1Å; P55-W98 HydrophobicContact CB-CD2 4.19Å; P55-W98 HydrophobicContact CB-CE3 4.21Å; P55-W98 HydrophobicContact CB-CH2 4.44Å; P55-W98 HydrophobicContact CB-CZ2 4.34Å; P55-W98 HydrophobicContact CB-CZ3 4.37Å; P55-W98 HydrophobicContact CG-CD2 4.47Å; P55-W98 HydrophobicContact CG-CE3 4.25Å; P55-W98 HydrophobicContact CG-CH2 3.7Å; P55-W98 HydrophobicContact CG-CZ2 3.85Å; P55-W98 HydrophobicContact CG-CZ3 3.91Å; P55-Q106 HydrophobicContact CG-CB 4.06Å; P55-I107 HydrophobicContact CB-CD1 3.68Å; P55-I107 HydrophobicContact CB-CG1 4.3Å; P55-I107 HydrophobicContact CG-CD1 3.9Å; P55-I107 HydrophobicContact CG-CG1 3.95Å; P55-Y133 HydrophobicContact CB-CE2 4.12Å; P55-Y133 HydrophobicContact CG-CD2 4.09Å; P55-Y133 HydrophobicContact CG-CE2 3.5Å; P55-Y133 VanDerWaalsContact CG-CE2 3.5Å | ||
| 56 | D | 98.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | trans | 49.6 | 29.6 | -171.5 | -68.2 | 5.4 | 0 | 0 | 0 | 116.3 | H25 H50 E81 W83 I84 | H25-D56 IonicContact CD2-OD2 3.89Å; H25-D56 IonicContact CE1-OD2 2.65Å; H25-D56 IonicContact CG-OD2 2.76Å; H25-D56 IonicContact ND1-OD2 3.92Å; H25-D56 PolarHBondContact ND1-OD2 2.83Å; H50-D56 IonicContact CE1-OD2 3.79Å; D56-E81 CarbonylContact C-O 3.08Å; D56-E81 VanDerWaalsContact C-O 3.27Å; D56-E81 WeakPolarHBondContact CA-O 3.22Å; D56-W83 PolarHBondContact OD2-NE1 3.09Å; D56-I84 HydrophobicContact CB-CD1 3.54Å; D56-I84 HydrophobicContact CB-CG1 3.93Å; D56-I84 WeakPolarHBondContact O-CB 3.3Å; D56-I84 WeakPolarHBondContact O-CG1 3.37Å | ||
| 57 | L | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | trans | -101.7 | 14 | -179.6 | -55.4 | -169.8 | 0 | 0 | 0 | 113.9 | P55 I84 M85 V96 I107 Y133 F134 L154 | P55-L57 HydrophobicContact CB-CB 4.49Å; P55-L57 HydrophobicContact CB-CG 4.14Å; P55-L57 WeakPolarHBondContact O-CD2 3.41Å; P55-L57 VanDerWaalsContact O-CG 3.25Å; P55-L57 WeakPolarHBondContact O-CG 3.48Å; P55-L57 PolarHBondContact O-N 2.9Å; P55-L57 VanDerWaalsContact O-N 3.1Å; L57-I84 HydrophobicContact CD2-CB 3.97Å; L57-I84 HydrophobicContact CD2-CD1 4.11Å; L57-I84 HydrophobicContact CD2-CG2 3.78Å; L57-M85 HydrophobicContact CB-CG 4.08Å; L57-M85 HydrophobicContact CB-SD 4.39Å; L57-M85 HydrophobicContact CD2-CG 4.33Å; L57-M85 HydrophobicContact CD2-SD 4.26Å; L57-M85 VanDerWaalsContact O-CG 3.27Å; L57-M85 WeakPolarHBondContact O-CG 3.22Å; L57-V96 HydrophobicContact CD2-CG1 4.47Å; L57-I107 HydrophobicContact CD1-CD1 3.99Å; L57-Y133 WeakPolarHBondContact CA-OH 3.38Å; L57-Y133 HydrophobicContact CB-CE1 3.67Å; L57-Y133 PolarHBondContact N-OH 2.99Å; L57-F134 HydrophobicContact CB-CE1 4.17Å; L57-F134 HydrophobicContact CB-CZ 4.06Å; L57-F134 HydrophobicContact CD1-CZ 4.24Å; L57-F134 WeakPolarHBondContact O-CE1 3.06Å; L57-L154 HydrophobicContact CD1-CD1 3.92Å; L57-L154 HydrophobicContact CD1-CD2 3.49Å; L57-L154 VanDerWaalsContact CD1-CD2 3.49Å; L57-L154 HydrophobicContact CD1-CG 4.29Å | ||
| 58 | L | 97.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 21.6 Ų | 21.6 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | trans | -71.9 | 175.4 | 169.2 | -67.6 | -173.6 | 0 | 0 | 0 | 110.2 | E81 N82 Y133 D137 L139 | L58-E81 HydrophobicContact CB-CG 4.28Å; L58-E81 WeakPolarHBondContact CB-O 3.39Å; L58-E81 HydrophobicContact CD1-CG 3.88Å; L58-E81 HydrophobicContact CG-CG 4.49Å; L58-E81 PolarHBondContact N-O 2.97Å; L58-E81 VanDerWaalsContact N-O 3.12Å; L58-N82 HydrophobicContact CB-CB 4.13Å; L58-N82 CarbonylContact O-C 3.59Å; L58-N82 WeakPolarHBondContact O-CA 3.46Å; L58-Y133 HydrophobicContact CD2-CD1 4.26Å; L58-Y133 HydrophobicContact CD2-CE1 3.67Å; L58-Y133 HydrophobicContact CD2-CE2 4.4Å; L58-Y133 HydrophobicContact CG-CE1 4.19Å; L58-Y133 PolarHBondContact N-OH 2.82Å; L58-Y133 VanDerWaalsContact N-OH 3.11Å; L58-D137 HydrophobicContact CD2-CB 3.95Å; L58-L139 HydrophobicContact CD2-CD1 3.88Å | ||
| 59 | I | 96.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | -138.1 | 135.2 | -177.8 | -66.9 | 169.3 | 0 | 0 | 0 | 106.2 | V61 M85 I125 V127 L139 | I59-V61 PolarHBondContact O-N 3.01Å; I59-M85 HydrophobicContact CD1-CB 4.32Å; I59-M85 HydrophobicContact CD1-CE 4.05Å; I59-M85 HydrophobicContact CG1-CB 3.66Å; I59-M85 HydrophobicContact CG1-CG 4.17Å; I59-I125 HydrophobicContact CD1-CB 4.33Å; I59-I125 HydrophobicContact CD1-CG2 3.94Å; I59-I125 HydrophobicContact CG2-CB 3.83Å; I59-V127 HydrophobicContact CD1-CG1 3.97Å; I59-L139 HydrophobicContact CB-CD1 4.09Å; I59-L139 HydrophobicContact CB-CD2 3.85Å; I59-L139 HydrophobicContact CD1-CD1 4.36Å; I59-L139 HydrophobicContact CD1-CD2 4.41Å; I59-L139 HydrophobicContact CG1-CD1 4.28Å; I59-L139 HydrophobicContact CG2-CD2 4.41Å | ||
| 60 | P | 93.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | trans | -61.6 | 106 | 171.7 | -14.2 | 25.9 | 0 | 0 | 0 | 109.4 | N62 M63 E77 L78 N82 | P60-N62 PolarHBondContact O-N 3.24Å; P60-M63 HydrophobicContact CB-CB 3.82Å; P60-M63 HydrophobicContact CG-CB 4.37Å; P60-M63 HydrophobicContact CG-CE 4.2Å; P60-M63 PolarHBondContact O-N 3.03Å; P60-E77 VanDerWaalsContact CG-O 3.32Å; P60-E77 WeakPolarHBondContact CG-O 3.34Å; P60-L78 HydrophobicContact CG-CD2 4.18Å; P60-N82 HydrophobicContact CG-CB 4.31Å | ||
| 61 | V | 90.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 36.9 Ų | 36.9 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28 | -165.3 | -68.4 | 0 | 0 | 0 | 0 | 114 | I59 R126 L139 | I59-V61 PolarHBondContact O-N 3.01Å; V61-R126 PolarHBondContact O-NH1 3.01Å; V61-R126 PolarHBondContact O-NH2 3.04Å; V61-L139 HydrophobicContact CG1-CD2 3.89Å |
| 62 | N | 91.8 | Very high | 96.2 | Very high | 125 Ų | 125 | 43.8 Ų | 43.8 | 67% | 0.668 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8 | -177.1 | -70 | -34.2 | 0 | 0 | 0 | 114.4 | P60 P64 | P60-N62 PolarHBondContact O-N 3.24Å; N62-P64 WeakPolarHBondContact O-CD 3.23Å |
| 63 | M | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -73.9 | 124.8 | -178.5 | -179.3 | -172 | 60.7 | 0 | 0 | 110.8 | P60 A65 T67 V68 L74 E77 P86 T124 I125 | P60-M63 HydrophobicContact CB-CB 3.82Å; P60-M63 HydrophobicContact CG-CB 4.37Å; P60-M63 HydrophobicContact CG-CE 4.2Å; P60-M63 PolarHBondContact O-N 3.03Å; M63-A65 PolarHBondContact O-N 2.93Å; M63-T67 HydrophobicContact CG-CG2 4.02Å; M63-T67 HydrophobicContact SD-CG2 3.8Å; M63-V68 HydrophobicContact CE-CG2 4.07Å; M63-L74 HydrophobicContact CE-CD1 4.3Å; M63-L74 HydrophobicContact SD-CD1 3.95Å; M63-E77 HydrophobicContact CG-CB 4.35Å; M63-E77 HydrophobicContact SD-CB 3.89Å; M63-P86 HydrophobicContact CE-CG 4.08Å; M63-T124 WeakPolarHBondContact O-CB 3.46Å; M63-T124 WeakPolarHBondContact O-CG2 3.31Å; M63-I125 HydrophobicContact CE-CD1 3.89Å |
| 64 | P | 97.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -59.9 | 133.9 | 172.9 | -23.1 | 34.2 | 0 | 0 | 0 | 111.4 | N62 D66 T67 | N62-P64 WeakPolarHBondContact O-CD 3.23Å; P64-D66 PolarHBondContact O-N 3.28Å; P64-T67 WeakPolarHBondContact O-CB 3.3Å; P64-T67 PolarHBondContact O-N 3.27Å; P64-T67 PolarHBondContact O-OG1 3.29Å |
| 65 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -60.8 | -25.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M63 T67 V68 Y89 K118 T123 I125 | M63-A65 PolarHBondContact O-N 2.93Å; A65-T67 VanDerWaalsContact C-N 3.27Å; A65-T67 PolarHBondContact O-N 2.94Å; A65-V68 PolarHBondContact O-N 3.26Å; A65-Y89 HydrophobicContact CB-CE1 3.92Å; A65-Y89 VanDerWaalsContact O-CE1 3.25Å; A65-Y89 WeakPolarHBondContact O-CE1 3.49Å; A65-K118 HydrophobicContact CB-CB 3.82Å; A65-K118 HydrophobicContact CB-CD 3.94Å; A65-K118 HydrophobicContact CB-CG 3.66Å; A65-T123 WeakPolarHBondContact CB-O 3.28Å; A65-T123 PolarHBondContact N-O 3.45Å; A65-I125 HydrophobicContact CB-CG1 3.65Å |
| 66 | D | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -73.2 | -18.9 | 180 | -57.5 | -23 | 0 | 0 | 0 | 112.7 | P64 V68 F69 K118 | P64-D66 PolarHBondContact O-N 3.28Å; D66-V68 PolarHBondContact O-N 3.5Å; D66-F69 WeakPolarHBondContact O-CD2 3.17Å; D66-F69 PolarHBondContact O-N 3.06Å; D66-F69 VanDerWaalsContact O-N 3.09Å; D66-K118 IonicContact OD1-NZ 2.67Å; D66-K118 PolarHBondContact OD1-NZ 2.76Å; D66-K118 IonicContact OD2-NZ 2.75Å; D66-K118 PolarHBondContact OD2-NZ 2.87Å |
| 67 | T | 97.5 | Very high | 95.6 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -56.6 | -30.1 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | M63 P64 A65 F69 D70 T73 E77 | M63-T67 HydrophobicContact CG-CG2 4.02Å; M63-T67 HydrophobicContact SD-CG2 3.8Å; P64-T67 WeakPolarHBondContact O-CB 3.3Å; P64-T67 PolarHBondContact O-N 3.27Å; P64-T67 PolarHBondContact O-OG1 3.29Å; A65-T67 VanDerWaalsContact C-N 3.27Å; A65-T67 PolarHBondContact O-N 2.94Å; T67-F69 PolarHBondContact O-N 2.96Å; T67-D70 CarbonylContact O-C 3.56Å; T67-D70 PolarHBondContact O-N 2.87Å; T67-D70 VanDerWaalsContact O-O 3.08Å; T67-T73 HydrophobicContact CG2-CG2 3.66Å; T67-E77 HydrophobicContact CG2-CG 4.29Å |
| 68 | V | 97 | Very high | 95.5 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -56.1 | -21.9 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 113.6 | M63 A65 D66 L74 P86 Y89 A90 I125 | M63-V68 HydrophobicContact CE-CG2 4.07Å; A65-V68 PolarHBondContact O-N 3.26Å; D66-V68 PolarHBondContact O-N 3.5Å; V68-L74 HydrophobicContact CG2-CD1 4.25Å; V68-P86 VanDerWaalsContact CG1-O 3.28Å; V68-P86 WeakPolarHBondContact CG1-O 3.38Å; V68-P86 HydrophobicContact CG2-CB 3.99Å; V68-Y89 HydrophobicContact CB-CD1 4.11Å; V68-Y89 HydrophobicContact CG1-CD1 4.19Å; V68-Y89 HydrophobicContact CG2-CD1 4Å; V68-A90 HydrophobicContact CG1-CB 3.68Å; V68-I125 HydrophobicContact CG2-CD1 3.68Å |
| 69 | F | 95.8 | Very high | 95.5 | Very high | 132 Ų | 132 | 58 Ų | 58 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -92.7 | -7.2 | 178.4 | -53.8 | -64.9 | 0 | 0 | 0 | 114.1 | D66 T67 Y89 | D66-F69 WeakPolarHBondContact O-CD2 3.17Å; D66-F69 PolarHBondContact O-N 3.06Å; D66-F69 VanDerWaalsContact O-N 3.09Å; T67-F69 PolarHBondContact O-N 2.96Å; F69-Y89 AromaticContact CE2-CE1 3.92Å; F69-Y89 HydrophobicContact CE2-CE1 3.92Å; F69-Y89 AromaticContact CZ-CE1 3.99Å; F69-Y89 HydrophobicContact CZ-CE1 3.99Å |
| 70 | D | 96.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | trans | -105.2 | 105.2 | 164.8 | -166.6 | -31.2 | 0 | 0 | 0 | 110 | T67 E72 T73 L74 | T67-D70 CarbonylContact O-C 3.56Å; T67-D70 PolarHBondContact O-N 2.87Å; T67-D70 VanDerWaalsContact O-O 3.08Å; D70-E72 PolarHBondContact O-N 3.1Å; D70-E72 PolarHBondContact OD1-N 2.79Å; D70-T73 PolarHBondContact O-N 3.15Å; D70-L74 WeakPolarHBondContact O-CB 3.46Å; D70-L74 PolarHBondContact O-N 3.47Å | ||
| 71 | K | 92.8 | Very high | 95.6 | Very high | 108 Ų | 108 | 61.8 Ų | 61.8 | 47% | 0.47 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -29.4 | -179.2 | 77.3 | -174.2 | 176.7 | 65.3 | 0 | 113.4 | F75 | K71-F75 HydrophobicContact CB-CE2 4.07Å; K71-F75 HydrophobicContact CB-CZ 4.18Å; K71-F75 WeakPolarHBondContact O-CD2 3.41Å; K71-F75 WeakPolarHBondContact O-CG 3.3Å; K71-F75 PolarHBondContact O-N 2.61Å |
| 72 | E | 91 | Very high | 95.9 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -83.8 | -35.5 | -172.6 | -72.3 | 173.4 | -154.5 | 0 | 0 | 111.1 | D70 | D70-E72 PolarHBondContact O-N 3.1Å; D70-E72 PolarHBondContact OD1-N 2.79Å |
| 73 | T | 95.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.5 | -48.4 | 167.3 | -49.2 | 0 | 0 | 0 | 0 | 110.8 | T67 D70 F75 G76 E77 | T67-T73 HydrophobicContact CG2-CG2 3.66Å; D70-T73 PolarHBondContact O-N 3.15Å; T73-F75 PolarHBondContact O-N 3.46Å; T73-G76 PolarHBondContact O-N 3.21Å; T73-E77 HydrophobicContact CG2-CG 4.11Å; T73-E77 WeakPolarHBondContact O-CG 3.22Å; T73-E77 PolarHBondContact O-N 2.85Å |
| 74 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.3 | -53.6 | -178.8 | 177.2 | 63.5 | 0 | 0 | 0 | 112.2 | L29 Y33 M63 V68 D70 G76 E77 L78 P86 | L29-L74 HydrophobicContact CD2-CD2 4.5Å; Y33-L74 HydrophobicContact CE2-CD2 4.35Å; M63-L74 HydrophobicContact CE-CD1 4.3Å; M63-L74 HydrophobicContact SD-CD1 3.95Å; V68-L74 HydrophobicContact CG2-CD1 4.25Å; D70-L74 WeakPolarHBondContact O-CB 3.46Å; D70-L74 PolarHBondContact O-N 3.47Å; L74-G76 PolarHBondContact O-N 3Å; L74-E77 PolarHBondContact O-N 2.92Å; L74-L78 HydrophobicContact CD1-CD1 4.11Å; L74-L78 HydrophobicContact CD1-CD2 3.9Å; L74-L78 HydrophobicContact CD1-CG 4.09Å; L74-L78 HydrophobicContact CG-CD1 4.11Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-P86 HydrophobicContact CD1-CB 4.01Å |
| 75 | F | 95.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9 | -176.5 | -57.4 | -27.4 | 0 | 0 | 0 | 114.5 | L29 P30 Y33 K71 T73 | L29-F75 HydrophobicContact CD2-CD1 4.37Å; L29-F75 HydrophobicContact CD2-CE1 4.03Å; L29-F75 HydrophobicContact CG-CE1 4.11Å; P30-F75 HydrophobicContact CB-CE2 4.08Å; P30-F75 HydrophobicContact CB-CZ 4.3Å; P30-F75 HydrophobicContact CG-CD1 4.3Å; P30-F75 HydrophobicContact CG-CD2 3.86Å; P30-F75 HydrophobicContact CG-CE1 4.26Å; P30-F75 HydrophobicContact CG-CE2 3.81Å; P30-F75 HydrophobicContact CG-CG 4.13Å; P30-F75 HydrophobicContact CG-CZ 4.02Å; Y33-F75 HydrophobicContact CD2-CE1 4.3Å; Y33-F75 AromaticContact CD2-CZ 3.96Å; Y33-F75 HydrophobicContact CD2-CZ 3.96Å; Y33-F75 HydrophobicContact CE2-CE1 4.47Å; Y33-F75 HydrophobicContact CG-CZ 4.19Å; K71-F75 HydrophobicContact CB-CE2 4.07Å; K71-F75 HydrophobicContact CB-CZ 4.18Å; K71-F75 WeakPolarHBondContact O-CD2 3.41Å; K71-F75 WeakPolarHBondContact O-CG 3.3Å; K71-F75 PolarHBondContact O-N 2.61Å; T73-F75 PolarHBondContact O-N 3.46Å |
| 76 | G | 94.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -6.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T73 L74 | T73-G76 PolarHBondContact O-N 3.21Å; L74-G76 PolarHBondContact O-N 3Å |
| 77 | E | 95.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 46 Ų | 46 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -110.7 | 8.6 | -178.1 | -57.6 | -85.1 | 156.9 | 0 | 0 | 111.8 | P60 M63 T67 T73 L74 | P60-E77 VanDerWaalsContact CG-O 3.32Å; P60-E77 WeakPolarHBondContact CG-O 3.34Å; M63-E77 HydrophobicContact CG-CB 4.35Å; M63-E77 HydrophobicContact SD-CB 3.89Å; T67-E77 HydrophobicContact CG2-CG 4.29Å; T73-E77 HydrophobicContact CG2-CG 4.11Å; T73-E77 WeakPolarHBondContact O-CG 3.22Å; T73-E77 PolarHBondContact O-N 2.85Å; L74-E77 PolarHBondContact O-N 2.92Å |
| 78 | L | 97 | Very high | 96.4 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | trans | -108.5 | 147.2 | -180 | -59.8 | -178.9 | 0 | 0 | 0 | 112 | Q26 L29 P60 L74 N82 W83 P86 | Q26-L78 HydrophobicContact CB-CB 4.07Å; Q26-L78 HydrophobicContact CG-CB 4.26Å; L29-L78 HydrophobicContact CD2-CD1 3.56Å; P60-L78 HydrophobicContact CG-CD2 4.18Å; L74-L78 HydrophobicContact CD1-CD1 4.11Å; L74-L78 HydrophobicContact CD1-CD2 3.9Å; L74-L78 HydrophobicContact CD1-CG 4.09Å; L74-L78 HydrophobicContact CG-CD1 4.11Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L78-N82 WeakPolarHBondContact CA-OD1 3.19Å; L78-W83 HydrophobicContact CB-CB 4.35Å; L78-W83 HydrophobicContact CD1-CB 3.95Å; L78-P86 HydrophobicContact CD2-CB 4.38Å; L78-P86 HydrophobicContact CD2-CG 3.76Å | ||
| 79 | S | 96.6 | Very high | 96.4 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -125.8 | 171.3 | 173.3 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | E81 N82 | S79-E81 WeakPolarHBondContact CB-OE2 3.36Å; S79-E81 PolarHBondContact O-N 2.73Å; S79-E81 VanDerWaalsContact O-N 3.11Å; S79-N82 VanDerWaalsContact CB-ND2 3.34Å; S79-N82 WeakPolarHBondContact CB-ND2 3.49Å; S79-N82 PolarHBondContact N-ND2 2.91Å; S79-N82 PolarHBondContact N-OD1 2.93Å; S79-N82 PolarHBondContact O-N 3.41Å; S79-N82 PolarHBondContact O-OD1 2.9Å; S79-N82 PolarHBondContact OG-ND2 3.46Å | ||
| 80 | I | 96.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -37 | -178 | 56.2 | 178.2 | 0 | 0 | 0 | 113.2 | D24 H25 Q26 W83 Y406 | D24-I80 HydrophobicContact CB-CG2 4Å; H25-I80 HydrophobicContact CB-CB 4.49Å; Q26-I80 VanDerWaalsContact OE1-CG2 3.22Å; I80-W83 PolarHBondContact O-NE1 3.47Å; I80-Y406 HydrophobicContact CD1-CD2 4.01Å; I80-Y406 HydrophobicContact CD1-CE2 3.63Å |
| 81 | E | 96.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.9 | -170.2 | 78.1 | -57.6 | 145.4 | 0 | 0 | 115.5 | D56 L58 S79 | D56-E81 CarbonylContact C-O 3.08Å; D56-E81 VanDerWaalsContact C-O 3.27Å; D56-E81 WeakPolarHBondContact CA-O 3.22Å; L58-E81 HydrophobicContact CB-CG 4.28Å; L58-E81 WeakPolarHBondContact CB-O 3.39Å; L58-E81 HydrophobicContact CD1-CG 3.88Å; L58-E81 HydrophobicContact CG-CG 4.49Å; L58-E81 PolarHBondContact N-O 2.97Å; L58-E81 VanDerWaalsContact N-O 3.12Å; S79-E81 WeakPolarHBondContact CB-OE2 3.36Å; S79-E81 PolarHBondContact O-N 2.73Å; S79-E81 VanDerWaalsContact O-N 3.11Å |
| 82 | N | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 6 | -161.9 | 72.9 | 41.7 | 0 | 0 | 0 | 116.4 | L58 P60 L78 S79 P86 | L58-N82 HydrophobicContact CB-CB 4.13Å; L58-N82 CarbonylContact O-C 3.59Å; L58-N82 WeakPolarHBondContact O-CA 3.46Å; P60-N82 HydrophobicContact CG-CB 4.31Å; L78-N82 WeakPolarHBondContact CA-OD1 3.19Å; S79-N82 VanDerWaalsContact CB-ND2 3.34Å; S79-N82 WeakPolarHBondContact CB-ND2 3.49Å; S79-N82 PolarHBondContact N-ND2 2.91Å; S79-N82 PolarHBondContact N-OD1 2.93Å; S79-N82 PolarHBondContact O-N 3.41Å; S79-N82 PolarHBondContact O-OD1 2.9Å; S79-N82 PolarHBondContact OG-ND2 3.46Å; N82-P86 WeakPolarHBondContact O-CD 3.31Å |
| 83 | W | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -87.3 | -22.5 | -165.5 | 68.2 | -89.6 | 0 | 0 | 0 | 115.5 | H25 Q26 V28 L29 I32 F48 D56 L78 I80 | H25-W83 AromaticContact CD2-CE2 3.54Å; H25-W83 AromaticContact CD2-CZ2 3.26Å; H25-W83 WeakPolarHBondContact CD2-CZ2 3.48Å; H25-W83 AromaticContact CD2-NE1 3.52Å; H25-W83 AromaticContact CG-NE1 3.7Å; H25-W83 AromaticContact NE2-CZ2 3.52Å; Q26-W83 HydrophobicContact CB-CB 3.78Å; Q26-W83 HydrophobicContact CB-CG 4.07Å; V28-W83 HydrophobicContact CG2-CE3 4.2Å; V28-W83 HydrophobicContact CG2-CH2 3.25Å; V28-W83 HydrophobicContact CG2-CZ2 3.72Å; V28-W83 HydrophobicContact CG2-CZ3 3.56Å; L29-W83 HydrophobicContact CB-CE3 4.04Å; L29-W83 HydrophobicContact CB-CZ3 4.41Å; L29-W83 HydrophobicContact CD1-CE3 3.98Å; L29-W83 HydrophobicContact CD1-CZ3 4.03Å; L29-W83 HydrophobicContact CG-CE3 4.42Å; I32-W83 HydrophobicContact CD1-CH2 4.49Å; I32-W83 HydrophobicContact CD1-CZ3 4.22Å; F48-W83 HydrophobicContact CE1-CH2 4.12Å; F48-W83 AromaticContact CE2-CH2 3.98Å; F48-W83 HydrophobicContact CE2-CH2 3.98Å; F48-W83 AromaticContact CZ-CH2 3.39Å; F48-W83 HydrophobicContact CZ-CH2 3.39Å; F48-W83 HydrophobicContact CZ-CZ2 4.03Å; F48-W83 HydrophobicContact CZ-CZ3 4.29Å; D56-W83 PolarHBondContact OD2-NE1 3.09Å; L78-W83 HydrophobicContact CB-CB 4.35Å; L78-W83 HydrophobicContact CD1-CB 3.95Å; I80-W83 PolarHBondContact O-NE1 3.47Å |
| 84 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.8 | -42.9 | -177.5 | -60.3 | 177.9 | 0 | 0 | 0 | 111 | F48 D56 L57 A87 V88 F93 V96 | F48-I84 HydrophobicContact CD1-CD1 4.29Å; F48-I84 HydrophobicContact CD1-CG2 4.46Å; F48-I84 HydrophobicContact CE1-CD1 3.62Å; F48-I84 HydrophobicContact CE1-CG1 4.14Å; F48-I84 HydrophobicContact CZ-CD1 4.49Å; D56-I84 HydrophobicContact CB-CD1 3.54Å; D56-I84 HydrophobicContact CB-CG1 3.93Å; D56-I84 WeakPolarHBondContact O-CB 3.3Å; D56-I84 WeakPolarHBondContact O-CG1 3.37Å; L57-I84 HydrophobicContact CD2-CB 3.97Å; L57-I84 HydrophobicContact CD2-CD1 4.11Å; L57-I84 HydrophobicContact CD2-CG2 3.78Å; I84-A87 WeakPolarHBondContact O-CA 3.49Å; I84-A87 WeakPolarHBondContact O-CB 3.32Å; I84-A87 PolarHBondContact O-N 3.34Å; I84-V88 HydrophobicContact CG2-CG2 4.4Å; I84-V88 PolarHBondContact O-N 3.44Å; I84-V88 VanDerWaalsContact O-N 3.1Å; I84-F93 HydrophobicContact CG2-CD2 3.91Å; I84-F93 HydrophobicContact CG2-CE2 4.09Å; I84-V96 HydrophobicContact CG2-CG2 3.88Å |
| 85 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | -171.9 | -72 | -66.5 | -75.8 | 0 | 0 | 114.5 | L57 I59 A87 V88 Y89 F114 V116 V127 F134 L152 | L57-M85 HydrophobicContact CB-CG 4.08Å; L57-M85 HydrophobicContact CB-SD 4.39Å; L57-M85 HydrophobicContact CD2-CG 4.33Å; L57-M85 HydrophobicContact CD2-SD 4.26Å; L57-M85 VanDerWaalsContact O-CG 3.27Å; L57-M85 WeakPolarHBondContact O-CG 3.22Å; I59-M85 HydrophobicContact CD1-CB 4.32Å; I59-M85 HydrophobicContact CD1-CE 4.05Å; I59-M85 HydrophobicContact CG1-CB 3.66Å; I59-M85 HydrophobicContact CG1-CG 4.17Å; M85-A87 VanDerWaalsContact C-N 3.26Å; M85-A87 PolarHBondContact O-N 3.12Å; M85-V88 WeakPolarHBondContact O-CA 3.18Å; M85-V88 WeakPolarHBondContact O-CB 3.41Å; M85-V88 PolarHBondContact O-N 2.99Å; M85-V88 HydrophobicContact SD-CG2 4.28Å; M85-Y89 PolarHBondContact O-N 3.47Å; M85-F114 HydrophobicContact CE-CE2 4.06Å; M85-V116 HydrophobicContact CE-CB 4.34Å; M85-V116 HydrophobicContact CE-CG1 3.84Å; M85-V116 HydrophobicContact CE-CG2 3.53Å; M85-V116 HydrophobicContact SD-CG2 4.37Å; M85-V127 HydrophobicContact CE-CG1 3.35Å; M85-F134 HydrophobicContact CE-CE1 4.36Å; M85-L152 HydrophobicContact SD-CD2 3.93Å |
| 86 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.8 | -39.2 | 166 | -32.6 | 40 | 0 | 0 | 0 | 113.6 | M63 V68 L74 L78 N82 Y89 A90 | M63-P86 HydrophobicContact CE-CG 4.08Å; V68-P86 VanDerWaalsContact CG1-O 3.28Å; V68-P86 WeakPolarHBondContact CG1-O 3.38Å; V68-P86 HydrophobicContact CG2-CB 3.99Å; L74-P86 HydrophobicContact CD1-CB 4.01Å; L78-P86 HydrophobicContact CD2-CB 4.38Å; L78-P86 HydrophobicContact CD2-CG 3.76Å; N82-P86 WeakPolarHBondContact O-CD 3.31Å; P86-Y89 PolarHBondContact O-N 3.09Å; P86-A90 WeakPolarHBondContact O-CB 3.26Å; P86-A90 PolarHBondContact O-N 3.23Å |
| 87 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.7 | -24.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L29 Y33 I84 M85 H92 F93 | L29-A87 HydrophobicContact CD1-CB 3.91Å; Y33-A87 HydrophobicContact CE1-CB 4.36Å; I84-A87 WeakPolarHBondContact O-CA 3.49Å; I84-A87 WeakPolarHBondContact O-CB 3.32Å; I84-A87 PolarHBondContact O-N 3.34Å; M85-A87 VanDerWaalsContact C-N 3.26Å; M85-A87 PolarHBondContact O-N 3.12Å; A87-H92 WeakPolarHBondContact O-CB 3.21Å; A87-H92 PolarHBondContact O-N 3.46Å; A87-H92 VanDerWaalsContact O-N 3.13Å; A87-F93 HydrophobicContact CB-CD2 3.68Å; A87-F93 HydrophobicContact CB-CE2 3.53Å; A87-F93 HydrophobicContact CB-CG 4.36Å; A87-F93 HydrophobicContact CB-CZ 4.1Å; A87-F93 PolarHBondContact O-N 2.98Å |
| 88 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.8 | -47.3 | 166.2 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | I84 M85 A90 G91 F93 V116 L152 | I84-V88 HydrophobicContact CG2-CG2 4.4Å; I84-V88 PolarHBondContact O-N 3.44Å; I84-V88 VanDerWaalsContact O-N 3.1Å; M85-V88 WeakPolarHBondContact O-CA 3.18Å; M85-V88 WeakPolarHBondContact O-CB 3.41Å; M85-V88 PolarHBondContact O-N 2.99Å; M85-V88 HydrophobicContact SD-CG2 4.28Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 3Å; V88-G91 WeakPolarHBondContact O-CA 3.4Å; V88-G91 PolarHBondContact O-N 3.42Å; V88-F93 HydrophobicContact CG2-CB 3.91Å; V88-F93 HydrophobicContact CG2-CD2 4.31Å; V88-V116 HydrophobicContact CG1-CB 4.18Å; V88-V116 HydrophobicContact CG1-CG2 3.72Å; V88-L152 HydrophobicContact CG1-CB 4.07Å; V88-L152 HydrophobicContact CG1-CD1 4.1Å; V88-L152 HydrophobicContact CG1-CD2 4.24Å; V88-L152 HydrophobicContact CG1-CG 4.36Å; V88-L152 HydrophobicContact CG2-CD1 4.07Å; V88-L152 HydrophobicContact CG2-CD2 4.18Å |
| 89 | Y | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 178.9 | 180 | -105.9 | 0 | 0 | 0 | 112.9 | A65 V68 F69 M85 P86 G91 K118 I125 N148 K150 | A65-Y89 HydrophobicContact CB-CE1 3.92Å; A65-Y89 VanDerWaalsContact O-CE1 3.25Å; A65-Y89 WeakPolarHBondContact O-CE1 3.49Å; V68-Y89 HydrophobicContact CB-CD1 4.11Å; V68-Y89 HydrophobicContact CG1-CD1 4.19Å; V68-Y89 HydrophobicContact CG2-CD1 4Å; F69-Y89 AromaticContact CE2-CE1 3.92Å; F69-Y89 HydrophobicContact CE2-CE1 3.92Å; F69-Y89 AromaticContact CZ-CE1 3.99Å; F69-Y89 HydrophobicContact CZ-CE1 3.99Å; M85-Y89 PolarHBondContact O-N 3.47Å; P86-Y89 PolarHBondContact O-N 3.09Å; Y89-G91 PolarHBondContact O-N 2.9Å; Y89-G91 VanDerWaalsContact O-N 3.12Å; Y89-K118 HydrophobicContact CE2-CB 4.24Å; Y89-I125 HydrophobicContact CD1-CD1 4.04Å; Y89-I125 HydrophobicContact CD1-CG1 4.3Å; Y89-I125 HydrophobicContact CD2-CG2 4.41Å; Y89-I125 HydrophobicContact CG-CD1 4.16Å; Y89-I125 HydrophobicContact CG-CG1 4.36Å; Y89-I125 HydrophobicContact CG-CG2 4.31Å; Y89-N148 HydrophobicContact CE2-CB 4.07Å; Y89-K150 WeakPolarHBondContact O-CE 3.38Å; Y89-K150 WeakPolarHBondContact O-CG 3.4Å; Y89-K150 PolarHBondContact O-NZ 2.91Å |
| 90 | A | 97.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 12.1 Ų | 12.1 | 17% | 0.165 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V68 P86 V88 | V68-A90 HydrophobicContact CG1-CB 3.68Å; P86-A90 WeakPolarHBondContact O-CB 3.26Å; P86-A90 PolarHBondContact O-N 3.23Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 3Å |
| 91 | G | 96.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 10.2 Ų | 10.2 | 18% | 0.175 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 13.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S44 V88 Y89 | S44-G91 VanDerWaalsContact CA-O 3.27Å; S44-G91 WeakPolarHBondContact CA-O 3.33Å; S44-G91 WeakPolarHBondContact CB-O 3.43Å; V88-G91 WeakPolarHBondContact O-CA 3.4Å; V88-G91 PolarHBondContact O-N 3.42Å; Y89-G91 PolarHBondContact O-N 2.9Å; Y89-G91 VanDerWaalsContact O-N 3.12Å |
| 92 | H | 96.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 9.9 Ų | 9.9 | 17% | 0.167 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -76.6 | -55 | 178.9 | -64.1 | -28.6 | 0 | 0 | 0 | 110.8 | Y33 I36 A43 S44 N45 I46 A87 | Y33-H92 AromaticContact CE1-CD2 3.65Å; Y33-H92 AromaticContact CZ-CD2 3.72Å; Y33-H92 AromaticContact CZ-NE2 3.94Å; I36-H92 HydrophobicContact CD1-CB 3.97Å; A43-H92 PolarHBondContact O-ND1 3.33Å; S44-H92 CarbonylContact C-O 3.58Å; N45-H92 PolarHBondContact N-O 2.95Å; I46-H92 WeakPolarHBondContact CB-O 3.28Å; I46-H92 HydrophobicContact CD1-CB 4.21Å; I46-H92 PolarHBondContact N-O 3.43Å; A87-H92 WeakPolarHBondContact O-CB 3.21Å; A87-H92 PolarHBondContact O-N 3.46Å; A87-H92 VanDerWaalsContact O-N 3.13Å |
| 93 | F | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.018 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 138.4 | 173.4 | -56.5 | -22.6 | 0 | 0 | 0 | 110.1 | I32 I46 F48 I84 A87 V88 | I32-F93 HydrophobicContact CD1-CZ 4.07Å; I32-F93 HydrophobicContact CG2-CE1 4.02Å; I32-F93 HydrophobicContact CG2-CZ 4.17Å; I46-F93 HydrophobicContact CB-CD1 4.09Å; I46-F93 HydrophobicContact CD1-CD1 4.46Å; I46-F93 HydrophobicContact CG2-CD1 4.12Å; I46-F93 HydrophobicContact CG2-CE1 4.29Å; F48-F93 HydrophobicContact CB-CD1 4.31Å; F48-F93 HydrophobicContact CB-CD2 4.45Å; F48-F93 HydrophobicContact CB-CE1 4.46Å; F48-F93 HydrophobicContact CB-CG 4.32Å; F48-F93 AromaticContact CD2-CE1 3.99Å; F48-F93 HydrophobicContact CD2-CE1 3.99Å; F48-F93 HydrophobicContact CD2-CE2 4.04Å; F48-F93 AromaticContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CD2-CZ 3.65Å; F48-F93 HydrophobicContact CE2-CE2 4.46Å; F48-F93 HydrophobicContact CE2-CZ 4.1Å; F48-F93 HydrophobicContact CG-CD2 4.42Å; F48-F93 HydrophobicContact CG-CE1 4.45Å; F48-F93 HydrophobicContact CG-CE2 4.13Å; F48-F93 HydrophobicContact CG-CZ 4.15Å; I84-F93 HydrophobicContact CG2-CD2 3.91Å; I84-F93 HydrophobicContact CG2-CE2 4.09Å; A87-F93 HydrophobicContact CB-CD2 3.68Å; A87-F93 HydrophobicContact CB-CE2 3.53Å; A87-F93 HydrophobicContact CB-CG 4.36Å; A87-F93 HydrophobicContact CB-CZ 4.1Å; A87-F93 PolarHBondContact O-N 2.98Å; V88-F93 HydrophobicContact CG2-CB 3.91Å; V88-F93 HydrophobicContact CG2-CD2 4.31Å |
| 94 | S | 92 | Very high | 96.9 | Very high | 39 Ų | 39 | 11.7 Ų | 11.7 | 27% | 0.273 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -3.1 | 169.2 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | I46 Q153 | I46-S94 PolarHBondContact O-N 3.42Å; S94-Q153 PolarHBondContact O-N 3.42Å |
| 95 | H | 95.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 18.7 Ų | 18.7 | 8% | 0.079 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 112.9 | -179.1 | -159.7 | 141.2 | 0 | 0 | 0 | 108.7 | S47 F48 Q153 D155 I241 | S47-H95 WeakPolarHBondContact CA-O 3.32Å; F48-H95 PolarHBondContact N-O 2.99Å; H95-Q153 VanDerWaalsContact CA-O 3.3Å; H95-Q153 WeakPolarHBondContact CA-O 3.19Å; H95-Q153 PolarHBondContact CD2-O 3.02Å; H95-Q153 PolarHBondContact CE1-NE2 3.25Å; H95-D155 IonicContact CD2-OD2 2.73Å; H95-D155 IonicContact CE1-OD2 2.78Å; H95-D155 PolarHBondContact CE1-OD2 2.93Å; H95-D155 IonicContact NE2-OD2 2.69Å; H95-D155 PolarHBondContact NE2-OD2 3.09Å; H95-I241 WeakPolarHBondContact CE1-CD1 3.44Å; H95-I241 VanDerWaalsContact CE1-CG1 3.41Å; H95-I241 WeakPolarHBondContact CE1-CG1 3.47Å; H95-I241 WeakPolarHBondContact ND1-CG2 3.36Å |
| 96 | V | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.1 | 169.9 | 174.2 | 0 | 0 | 0 | 0 | 108.6 | F48 L57 I84 L152 Q153 L154 D155 | F48-V96 HydrophobicContact CB-CG2 4.32Å; F48-V96 HydrophobicContact CD1-CG1 4.26Å; F48-V96 HydrophobicContact CD1-CG2 4.28Å; F48-V96 CarbonylContact O-C 3.55Å; F48-V96 WeakPolarHBondContact O-CA 3.45Å; L57-V96 HydrophobicContact CD2-CG1 4.47Å; I84-V96 HydrophobicContact CG2-CG2 3.88Å; V96-L152 HydrophobicContact CB-CD1 4.47Å; V96-L152 HydrophobicContact CG2-CD1 4.08Å; V96-Q153 PolarHBondContact N-O 3.19Å; V96-L154 HydrophobicContact CB-CD1 4.01Å; V96-L154 HydrophobicContact CG1-CD1 3.8Å; V96-L154 WeakPolarHBondContact O-CA 3.42Å; V96-D155 PolarHBondContact O-N 3.12Å |
| 97 | V | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 107 | 172 | -173.6 | 0 | 0 | 0 | 0 | 107.2 | F48 L49 H50 F99 D155 I157 | F48-V97 PolarHBondContact O-N 3.27Å; L49-V97 HydrophobicContact CD1-CB 4.35Å; L49-V97 HydrophobicContact CD1-CG2 4.18Å; L49-V97 HydrophobicContact CG-CB 4.17Å; L49-V97 HydrophobicContact CG-CG2 4.48Å; H50-V97 PolarHBondContact N-O 2.77Å; V97-F99 HydrophobicContact CB-CE2 4.29Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD2 4.35Å; V97-F99 HydrophobicContact CG1-CE1 3.94Å; V97-F99 HydrophobicContact CG1-CE2 3.71Å; V97-F99 HydrophobicContact CG1-CZ 3.46Å; V97-F99 VanDerWaalsContact CG1-CZ 3.46Å; V97-D155 CarbonylContact C-O 3.57Å; V97-D155 WeakPolarHBondContact CA-O 3.46Å; V97-D155 HydrophobicContact CG1-CB 4.16Å; V97-D155 HydrophobicContact CG2-CB 4.32Å; V97-I157 HydrophobicContact CG1-CD1 3.82Å; V97-I157 HydrophobicContact CG1-CG1 4.45Å |
| 98 | W | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.4 | 179.4 | -178.9 | 40.6 | 0 | 0 | 0 | 109.7 | H50 D52 H54 P55 H100 A104 I107 L154 D155 V156 I157 | H50-W98 AromaticContact CD2-CD1 3.46Å; H50-W98 VanDerWaalsContact CD2-CD1 3.46Å; D52-W98 PolarHBondContact O-NE1 2.93Å; H54-W98 VanDerWaalsContact O-CE2 3.24Å; H54-W98 PolarHBondContact O-NE1 3.04Å; P55-W98 HydrophobicContact CB-CD2 4.19Å; P55-W98 HydrophobicContact CB-CE3 4.21Å; P55-W98 HydrophobicContact CB-CH2 4.44Å; P55-W98 HydrophobicContact CB-CZ2 4.34Å; P55-W98 HydrophobicContact CB-CZ3 4.37Å; P55-W98 HydrophobicContact CG-CD2 4.47Å; P55-W98 HydrophobicContact CG-CE3 4.25Å; P55-W98 HydrophobicContact CG-CH2 3.7Å; P55-W98 HydrophobicContact CG-CZ2 3.85Å; P55-W98 HydrophobicContact CG-CZ3 3.91Å; W98-H100 HydrophobicContact CD2-CB 3.89Å; W98-H100 VanDerWaalsContact CE2-CB 3.48Å; W98-H100 HydrophobicContact CE3-CB 4.24Å; W98-H100 HydrophobicContact CH2-CB 3.8Å; W98-H100 HydrophobicContact CZ2-CB 3.46Å; W98-H100 VanDerWaalsContact CZ2-CB 3.46Å; W98-H100 HydrophobicContact CZ3-CB 4.18Å; W98-A104 HydrophobicContact CH2-CB 4.22Å; W98-A104 HydrophobicContact CZ2-CB 4.1Å; W98-I107 HydrophobicContact CE3-CB 4.34Å; W98-I107 HydrophobicContact CZ3-CB 3.91Å; W98-I107 HydrophobicContact CZ3-CG1 4.37Å; W98-L154 HydrophobicContact CB-CD1 4.38Å; W98-D155 PolarHBondContact N-O 3.25Å; W98-V156 HydrophobicContact CE3-CB 4.36Å; W98-V156 HydrophobicContact CE3-CG1 3.55Å; W98-V156 HydrophobicContact CE3-CG2 4.02Å; W98-V156 HydrophobicContact CZ3-CG1 3.88Å; W98-I157 PolarHBondContact O-N 3.16Å |
| 99 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 99.4 | 175 | -67.9 | -66.6 | 0 | 0 | 0 | 109 | L49 H50 F51 D52 V97 I157 V159 I238 F256 L386 | L49-F99 HydrophobicContact CB-CE2 4.11Å; L49-F99 HydrophobicContact CD2-CE2 4.03Å; L49-F99 HydrophobicContact CG-CE2 3.88Å; H50-F99 PolarHBondContact O-N 2.85Å; F51-F99 WeakPolarHBondContact CA-O 3.45Å; F51-F99 HydrophobicContact CD1-CB 3.39Å; F51-F99 HydrophobicContact CD1-CD2 4.18Å; F51-F99 AromaticContact CD1-CG 3.98Å; F51-F99 HydrophobicContact CD1-CG 3.98Å; F51-F99 HydrophobicContact CD2-CB 4.34Å; F51-F99 AromaticContact CD2-CD2 3.85Å; F51-F99 HydrophobicContact CD2-CD2 3.85Å; F51-F99 HydrophobicContact CD2-CG 4.46Å; F51-F99 HydrophobicContact CE1-CB 3.49Å; F51-F99 VanDerWaalsContact CE1-CB 3.49Å; F51-F99 HydrophobicContact CE1-CD1 4.29Å; F51-F99 AromaticContact CE1-CD2 3.76Å; F51-F99 HydrophobicContact CE1-CD2 3.76Å; F51-F99 AromaticContact CE1-CG 3.59Å; F51-F99 HydrophobicContact CE1-CG 3.59Å; F51-F99 HydrophobicContact CE2-CB 4.42Å; F51-F99 AromaticContact CE2-CD2 3.39Å; F51-F99 HydrophobicContact CE2-CD2 3.39Å; F51-F99 AromaticContact CE2-CE2 3.87Å; F51-F99 HydrophobicContact CE2-CE2 3.87Å; F51-F99 HydrophobicContact CE2-CG 4.11Å; F51-F99 HydrophobicContact CG-CB 3.85Å; F51-F99 HydrophobicContact CG-CD2 4.21Å; F51-F99 HydrophobicContact CG-CG 4.4Å; F51-F99 HydrophobicContact CZ-CB 4.03Å; F51-F99 HydrophobicContact CZ-CD1 4.37Å; F51-F99 AromaticContact CZ-CD2 3.34Å; F51-F99 HydrophobicContact CZ-CD2 3.34Å; F51-F99 AromaticContact CZ-CE2 3.8Å; F51-F99 HydrophobicContact CZ-CE2 3.8Å; F51-F99 AromaticContact CZ-CG 3.65Å; F51-F99 HydrophobicContact CZ-CG 3.65Å; F51-F99 HydrophobicContact CZ-CZ 4.5Å; D52-F99 PolarHBondContact N-O 2.88Å; V97-F99 HydrophobicContact CB-CE2 4.29Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD2 4.35Å; V97-F99 HydrophobicContact CG1-CE1 3.94Å; V97-F99 HydrophobicContact CG1-CE2 3.71Å; V97-F99 HydrophobicContact CG1-CZ 3.46Å; V97-F99 VanDerWaalsContact CG1-CZ 3.46Å; F99-I157 WeakPolarHBondContact CA-O 3.41Å; F99-I157 HydrophobicContact CD1-CB 3.99Å; F99-I157 HydrophobicContact CD1-CG2 4.19Å; F99-I157 HydrophobicContact CE1-CB 4.09Å; F99-I157 HydrophobicContact CE1-CD1 4.01Å; F99-I157 HydrophobicContact CE1-CG2 4.15Å; F99-V159 HydrophobicContact CB-CG2 3.81Å; F99-V159 HydrophobicContact CD1-CG2 3.98Å; F99-V159 HydrophobicContact CG-CG2 4.29Å; F99-I238 HydrophobicContact CE1-CD1 3.69Å; F99-I238 HydrophobicContact CZ-CD1 3.58Å; F99-I238 HydrophobicContact CZ-CG1 4.26Å; F99-F256 VanDerWaalsContact O-CD2 3.31Å; F99-F256 WeakPolarHBondContact O-CD2 3.28Å; F99-F256 WeakPolarHBondContact O-CE2 3.43Å; F99-L386 HydrophobicContact CD1-CD1 3.91Å; F99-L386 HydrophobicContact CE1-CD1 3.66Å; F99-L386 HydrophobicContact CZ-CD1 4.15Å; F99-L386 HydrophobicContact CZ-CD2 4.19Å |
| 100 | H | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.5 | -173.3 | 73.4 | 102.5 | 0 | 0 | 0 | 111.5 | D52 W98 A104 E109 I157 M158 V159 | D52-H100 WeakPolarHBondContact O-CA 3.46Å; W98-H100 HydrophobicContact CD2-CB 3.89Å; W98-H100 VanDerWaalsContact CE2-CB 3.48Å; W98-H100 HydrophobicContact CE3-CB 4.24Å; W98-H100 HydrophobicContact CH2-CB 3.8Å; W98-H100 HydrophobicContact CZ2-CB 3.46Å; W98-H100 VanDerWaalsContact CZ2-CB 3.46Å; W98-H100 HydrophobicContact CZ3-CB 4.18Å; H100-A104 HydrophobicContact CB-CB 3.86Å; H100-A104 PolarHBondContact CE1-O 3Å; H100-A104 PolarHBondContact ND1-O 3.42Å; H100-E109 WeakPolarHBondContact NE2-CG 3.47Å; H100-I157 VanDerWaalsContact CD2-C 3.42Å; H100-I157 PolarHBondContact N-O 3.04Å; H100-M158 PolarHBondContact CD2-N 3.5Å; H100-M158 VanDerWaalsContact NE2-CA 3.34Å; H100-M158 WeakPolarHBondContact NE2-CA 3.42Å; H100-M158 PolarHBondContact NE2-N 2.99Å; H100-M158 VanDerWaalsContact NE2-N 3.16Å; H100-M158 CarbonylContact O-C 3.13Å; H100-M158 WeakPolarHBondContact O-CA 3.48Å; H100-V159 PolarHBondContact O-N 3.21Å |
| 101 | P | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 170.4 | 175.7 | 32.6 | -36.3 | 0 | 0 | 0 | 111.3 | D52 W103 A104 F256 | D52-P101 WeakPolarHBondContact O-CD 3.27Å; P101-W103 HydrophobicContact CB-CD2 3.81Å; P101-W103 VanDerWaalsContact CB-CE2 3.48Å; P101-W103 HydrophobicContact CB-CE3 4.16Å; P101-W103 HydrophobicContact CB-CG 4.41Å; P101-W103 HydrophobicContact CB-CH2 4.04Å; P101-W103 HydrophobicContact CB-CZ2 3.63Å; P101-W103 HydrophobicContact CB-CZ3 4.26Å; P101-W103 HydrophobicContact CG-CD2 3.93Å; P101-W103 HydrophobicContact CG-CG 4.16Å; P101-W103 HydrophobicContact CG-CZ2 3.77Å; P101-W103 PolarHBondContact O-N 2.89Å; P101-A104 HydrophobicContact CG-CB 4.06Å; P101-A104 PolarHBondContact O-N 3.41Å; P101-A104 VanDerWaalsContact O-N 3.12Å; P101-F256 HydrophobicContact CB-CD2 4.43Å; P101-F256 HydrophobicContact CB-CE2 4.3Å; P101-F256 HydrophobicContact CG-CD2 4.3Å |
| 102 | T | 95.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.3 | -173.3 | 47.5 | 0 | 0 | 0 | 0 | 115.6 | M158 K160 | T102-M158 HydrophobicContact CG2-CG 4.26Å; T102-M158 HydrophobicContact CG2-SD 3.82Å; T102-K160 HydrophobicContact CG2-CG 4.26Å |
| 103 | W | 95.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -17.5 | 178.6 | 51.3 | 76.8 | 0 | 0 | 0 | 113.9 | S53 P101 F256 V259 H369 L379 | S53-W103 PolarHBondContact OG-NE1 2.67Å; P101-W103 HydrophobicContact CB-CD2 3.81Å; P101-W103 VanDerWaalsContact CB-CE2 3.48Å; P101-W103 HydrophobicContact CB-CE3 4.16Å; P101-W103 HydrophobicContact CB-CG 4.41Å; P101-W103 HydrophobicContact CB-CH2 4.04Å; P101-W103 HydrophobicContact CB-CZ2 3.63Å; P101-W103 HydrophobicContact CB-CZ3 4.26Å; P101-W103 HydrophobicContact CG-CD2 3.93Å; P101-W103 HydrophobicContact CG-CG 4.16Å; P101-W103 HydrophobicContact CG-CZ2 3.77Å; P101-W103 PolarHBondContact O-N 2.89Å; W103-F256 VanDerWaalsContact CZ2-O 3.31Å; W103-F256 WeakPolarHBondContact CZ2-O 3.48Å; W103-V259 HydrophobicContact CG-CG1 4.43Å; W103-H369 HydrophobicContact CB-CB 4.03Å; W103-H369 HydrophobicContact CD2-CB 3.59Å; W103-H369 AromaticContact CD2-CD2 3.86Å; W103-H369 AromaticContact CD2-CG 3.81Å; W103-H369 HydrophobicContact CE3-CB 3.79Å; W103-H369 AromaticContact CE3-CD2 3.25Å; W103-H369 AromaticContact CE3-CG 3.43Å; W103-H369 VanDerWaalsContact CE3-CG 3.43Å; W103-H369 HydrophobicContact CG-CB 3.74Å; W103-H369 AromaticContact CH2-CD2 3.48Å; W103-H369 VanDerWaalsContact CH2-CD2 3.48Å; W103-H369 WeakPolarHBondContact CH2-CD2 3.39Å; W103-H369 HydrophobicContact CZ3-CB 4.41Å; W103-H369 AromaticContact CZ3-CD2 3.04Å; W103-H369 WeakPolarHBondContact CZ3-CD2 2.98Å; W103-H369 AromaticContact CZ3-CG 3.77Å; W103-L379 HydrophobicContact CH2-CD1 3.47Å; W103-L379 VanDerWaalsContact CH2-CD1 3.47Å; W103-L379 HydrophobicContact CZ2-CD1 4.43Å; W103-L379 HydrophobicContact CZ3-CD1 4.03Å |
| 104 | A | 95.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | trans | -84.6 | 124.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | S53 W98 H100 P101 | S53-A104 WeakPolarHBondContact O-CB 3.26Å; W98-A104 HydrophobicContact CH2-CB 4.22Å; W98-A104 HydrophobicContact CZ2-CB 4.1Å; H100-A104 HydrophobicContact CB-CB 3.86Å; H100-A104 PolarHBondContact CE1-O 3Å; H100-A104 PolarHBondContact ND1-O 3.42Å; P101-A104 HydrophobicContact CG-CB 4.06Å; P101-A104 PolarHBondContact O-N 3.41Å; P101-A104 VanDerWaalsContact O-N 3.12Å | ||
| 105 | Q | 92.3 | Very high | 96.2 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | trans | -143.8 | 16.9 | -173.5 | -60.5 | -171.5 | 4 | 0 | 0 | 114.2 | ||||
| 106 | Q | 94.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -62 | -47.7 | -177.7 | -76.1 | 145 | -75.6 | 0 | 0 | 112.8 | S53 P55 Y133 Y363 | S53-Q106 PolarHBondContact O-OE1 3.36Å; P55-Q106 HydrophobicContact CG-CB 4.06Å; Q106-Y133 HydrophobicContact CB-CD2 4.06Å; Q106-Y133 HydrophobicContact CB-CE2 4.44Å; Q106-Y363 WeakPolarHBondContact CB-OH 3.47Å; Q106-Y363 PolarHBondContact O-OH 3.41Å |
| 107 | I | 95.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -107.3 | 141.4 | 170.9 | -49.9 | 178.9 | 0 | 0 | 0 | 109 | P55 L57 W98 Y133 L154 V156 | P55-I107 HydrophobicContact CB-CD1 3.68Å; P55-I107 HydrophobicContact CB-CG1 4.3Å; P55-I107 HydrophobicContact CG-CD1 3.9Å; P55-I107 HydrophobicContact CG-CG1 3.95Å; L57-I107 HydrophobicContact CD1-CD1 3.99Å; W98-I107 HydrophobicContact CE3-CB 4.34Å; W98-I107 HydrophobicContact CZ3-CB 3.91Å; W98-I107 HydrophobicContact CZ3-CG1 4.37Å; I107-Y133 HydrophobicContact CD1-CD1 3.91Å; I107-Y133 HydrophobicContact CD1-CD2 4.2Å; I107-Y133 HydrophobicContact CD1-CE1 4.21Å; I107-Y133 HydrophobicContact CD1-CG 3.91Å; I107-Y133 HydrophobicContact CG1-CD1 4.19Å; I107-Y133 HydrophobicContact CG1-CD2 3.79Å; I107-Y133 HydrophobicContact CG1-CE2 4.46Å; I107-Y133 HydrophobicContact CG1-CG 3.66Å; I107-L154 HydrophobicContact CD1-CD2 4.11Å; I107-L154 HydrophobicContact CG2-CD2 4.42Å; I107-V156 HydrophobicContact CB-CG2 4.32Å; I107-V156 HydrophobicContact CG2-CG2 3.92Å |
| 108 | R | 94.6 | Very high | 96.5 | Very high | 188 Ų | 188 | 43.6 Ų | 43.6 | 71% | 0.709 | 21% | 0.206 | S | C | * | . | trans | -70 | 142.9 | -179.6 | -179.4 | -179.1 | 176.9 | -176.5 | -0.2 | 111.9 | H112 | R108-H112 PolarHBondContact O-NE2 3.48Š| ||
| 109 | E | 95.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -65.9 | 137.6 | 177 | -43.4 | 100.1 | 117.9 | 0 | 0 | 112.2 | H100 M158 | H100-E109 WeakPolarHBondContact NE2-CG 3.47Å; E109-M158 HydrophobicContact CG-CB 4.4Å; E109-M158 WeakPolarHBondContact OE1-CE 3.35Å |
| 110 | G | 94.6 | Very high | 96.4 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.5 | -155 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D155 V156 | G110-D155 WeakPolarHBondContact O-CA 3.46Å; G110-V156 PolarHBondContact N-O 3.3Å; G110-V156 VanDerWaalsContact N-O 3.08Å; G110-V156 PolarHBondContact O-N 3.01Å |
| 111 | K | 95.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.8 | 177 | -78.9 | 167.2 | -173.2 | 134.7 | 0 | 108.9 | L154 D155 E237 | K111-L154 WeakPolarHBondContact CA-O 3.24Å; K111-D155 WeakPolarHBondContact CE-OD1 3.47Å; K111-D155 VanDerWaalsContact CG-OD1 3.3Å; K111-D155 WeakPolarHBondContact CG-OD1 3.33Å; K111-E237 IonicContact NZ-OE1 3.01Å; K111-E237 PolarHBondContact NZ-OE1 3.22Å; K111-E237 IonicContact NZ-OE2 2.59Å; K111-E237 PolarHBondContact NZ-OE2 3.29Å |
| 112 | H | 97.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.9 | -179.9 | -51.4 | -68.2 | 0 | 0 | 0 | 109 | R108 F114 D131 L154 | R108-H112 PolarHBondContact O-NE2 3.48Å; H112-F114 HydrophobicContact CB-CD1 4.3Å; H112-F114 HydrophobicContact CB-CE1 4.27Å; H112-D131 IonicContact CE1-OD1 2.72Å; H112-D131 PolarHBondContact CE1-OD1 3.05Å; H112-D131 IonicContact CE1-OD2 3.53Å; H112-D131 IonicContact CG-OD2 3.33Å; H112-D131 IonicContact ND1-OD1 3.41Å; H112-D131 IonicContact ND1-OD2 3.67Å; H112-D131 PolarHBondContact ND1-OD2 3.45Å; H112-L154 HydrophobicContact CB-CB 4.26Å; H112-L154 PolarHBondContact N-O 2.92Å; H112-L154 PolarHBondContact O-N 3.01Å |
| 113 | H | 97.4 | Very high | 96.3 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 112.9 | -176.5 | -74.4 | 103.8 | 0 | 0 | 0 | 108.4 | Q153 | H113-Q153 VanDerWaalsContact NE2-CG 3.27Å; H113-Q153 WeakPolarHBondContact NE2-CG 3.43Å; H113-Q153 PolarHBondContact NE2-OE1 3.19Å |
| 114 | F | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 170.7 | -177.3 | 56.6 | -89.2 | 0 | 0 | 0 | 111 | M85 H112 V116 V127 F134 L152 L154 | M85-F114 HydrophobicContact CE-CE2 4.06Å; H112-F114 HydrophobicContact CB-CD1 4.3Å; H112-F114 HydrophobicContact CB-CE1 4.27Å; F114-V116 HydrophobicContact CD2-CG2 4.31Å; F114-V116 HydrophobicContact CE2-CG2 4.15Å; F114-V127 HydrophobicContact CD2-CB 4.02Å; F114-V127 HydrophobicContact CD2-CG1 4.25Å; F114-V127 HydrophobicContact CE2-CB 4.21Å; F114-V127 HydrophobicContact CE2-CG1 4.02Å; F114-F134 HydrophobicContact CE1-CE2 4.3Å; F114-F134 HydrophobicContact CE1-CZ 4.47Å; F114-F134 HydrophobicContact CE2-CE2 4.49Å; F114-F134 HydrophobicContact CE2-CZ 4.15Å; F114-F134 HydrophobicContact CZ-CE1 4.5Å; F114-F134 AromaticContact CZ-CE2 3.91Å; F114-F134 HydrophobicContact CZ-CE2 3.91Å; F114-F134 AromaticContact CZ-CZ 3.67Å; F114-F134 HydrophobicContact CZ-CZ 3.67Å; F114-L152 HydrophobicContact CE1-CD2 4.43Å; F114-L152 HydrophobicContact CE2-CD2 3.94Å; F114-L152 HydrophobicContact CZ-CD2 3.71Å; F114-L152 HydrophobicContact CZ-CG 4.47Å; F114-L152 PolarHBondContact N-O 2.88Å; F114-L152 PolarHBondContact O-N 3.4Å; F114-L154 HydrophobicContact CE1-CB 4.3Å; F114-L154 HydrophobicContact CE1-CD2 4.37Å |
| 115 | L | 98.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 144 | 177.6 | -56.7 | 175.5 | 0 | 0 | 0 | 109.6 | V127 T128 E143 L146 Q149 K150 P151 | L115-V127 CarbonylContact O-C 3.55Å; L115-V127 VanDerWaalsContact O-CA 3.22Å; L115-V127 WeakPolarHBondContact O-CA 3.11Å; L115-T128 HydrophobicContact CB-CG2 4.07Å; L115-T128 HydrophobicContact CD1-CG2 4.49Å; L115-T128 PolarHBondContact N-OG1 3.31Å; L115-T128 PolarHBondContact O-N 2.8Å; L115-E143 VanDerWaalsContact CD1-CD 3.49Å; L115-E143 HydrophobicContact CD1-CG 3.65Å; L115-L146 HydrophobicContact CB-CD1 4.25Å; L115-Q149 HydrophobicContact CD1-CB 4.45Å; L115-Q149 HydrophobicContact CD1-CG 4.26Å; L115-K150 WeakPolarHBondContact CA-O 3.23Å; L115-P151 HydrophobicContact CD2-CB 4.03Å |
| 116 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.6 | 169.8 | -170 | 0 | 0 | 0 | 0 | 107.2 | M85 V88 F114 I125 V127 Q149 K150 L152 | M85-V116 HydrophobicContact CE-CB 4.34Å; M85-V116 HydrophobicContact CE-CG1 3.84Å; M85-V116 HydrophobicContact CE-CG2 3.53Å; M85-V116 HydrophobicContact SD-CG2 4.37Å; V88-V116 HydrophobicContact CG1-CB 4.18Å; V88-V116 HydrophobicContact CG1-CG2 3.72Å; F114-V116 HydrophobicContact CD2-CG2 4.31Å; F114-V116 HydrophobicContact CE2-CG2 4.15Å; V116-I125 HydrophobicContact CG1-CG2 3.66Å; V116-V127 HydrophobicContact CG1-CG1 4.36Å; V116-V127 HydrophobicContact CG2-CG1 4.23Å; V116-Q149 CarbonylContact O-C 3.57Å; V116-Q149 WeakPolarHBondContact O-CA 3.25Å; V116-K150 PolarHBondContact N-O 2.85Å; V116-K150 PolarHBondContact O-N 3.47Å; V116-L152 HydrophobicContact CG2-CB 4.19Å; V116-L152 HydrophobicContact CG2-CD2 4.43Å |
| 117 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I125 R126 E147 | G117-I125 WeakPolarHBondContact O-CA 3.44Å; G117-I125 WeakPolarHBondContact O-CG2 3.46Å; G117-R126 PolarHBondContact N-O 3.42Å; G117-R126 PolarHBondContact O-N 2.61Å; G117-E147 WeakPolarHBondContact CA-O 3.26Å |
| 118 | K | 98.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.6 | 169.3 | 178.3 | 176.5 | -165.5 | 176 | 0 | 108.1 | A65 D66 Y89 T123 T124 L146 E147 | A65-K118 HydrophobicContact CB-CB 3.82Å; A65-K118 HydrophobicContact CB-CD 3.94Å; A65-K118 HydrophobicContact CB-CG 3.66Å; D66-K118 IonicContact OD1-NZ 2.67Å; D66-K118 PolarHBondContact OD1-NZ 2.76Å; D66-K118 IonicContact OD2-NZ 2.75Å; D66-K118 PolarHBondContact OD2-NZ 2.87Å; Y89-K118 HydrophobicContact CE2-CB 4.24Å; K118-T123 VanDerWaalsContact CE-O 3.29Å; K118-T123 WeakPolarHBondContact CE-O 3.14Å; K118-T124 WeakPolarHBondContact CA-O 3.27Å; K118-L146 WeakPolarHBondContact O-CA 3.35Å; K118-E147 HydrophobicContact CB-CB 4.46Å; K118-E147 PolarHBondContact N-O 3.27Å; K118-E147 PolarHBondContact O-N 3.32Å |
| 119 | D | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.8 | 172.7 | 158.3 | 42 | 0 | 0 | 0 | 110.4 | S121 T122 T123 T124 R126 L146 | D119-S121 VanDerWaalsContact C-N 3.26Å; D119-S121 PolarHBondContact O-N 2.97Å; D119-S121 PolarHBondContact OD1-N 3.04Å; D119-S121 PolarHBondContact OD1-OG 2.92Å; D119-S121 PolarHBondContact OD2-N 2.99Å; D119-S121 PolarHBondContact OD2-OG 3.47Å; D119-T122 VanDerWaalsContact OD2-CB 3.26Å; D119-T122 WeakPolarHBondContact OD2-CB 3.38Å; D119-T122 VanDerWaalsContact OD2-CG2 3.32Å; D119-T122 WeakPolarHBondContact OD2-CG2 3.49Å; D119-T122 PolarHBondContact OD2-N 3.21Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; D119-T123 WeakPolarHBondContact O-CA 3.42Å; D119-T123 PolarHBondContact O-N 3.02Å; D119-T124 PolarHBondContact N-O 3.32Å; D119-R126 HydrophobicContact CB-CB 4.13Å; D119-R126 HydrophobicContact CB-CG 3.84Å; D119-L146 HydrophobicContact CB-CD2 4.46Å |
| 120 | T | 96.9 | Very high | 97.3 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 48% | 0.479 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.4 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | Q145 E147 | T120-Q145 WeakPolarHBondContact CG2-O 3.45Å; T120-Q145 PolarHBondContact N-O 3.41Å; T120-Q145 PolarHBondContact OG1-O 3.37Å; T120-E147 HydrophobicContact CG2-CG 3.81Å |
| 121 | S | 94.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 37.4 Ų | 37.4 | 63% | 0.629 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -52.7 | -174.8 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | D119 | D119-S121 VanDerWaalsContact C-N 3.26Å; D119-S121 PolarHBondContact O-N 2.97Å; D119-S121 PolarHBondContact OD1-N 3.04Å; D119-S121 PolarHBondContact OD1-OG 2.92Å; D119-S121 PolarHBondContact OD2-N 2.99Å; D119-S121 PolarHBondContact OD2-OG 3.47Å |
| 122 | T | 95 | Very high | 97.2 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -20.2 | 179.9 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | D119 T124 | D119-T122 VanDerWaalsContact OD2-CB 3.26Å; D119-T122 WeakPolarHBondContact OD2-CB 3.38Å; D119-T122 VanDerWaalsContact OD2-CG2 3.32Å; D119-T122 WeakPolarHBondContact OD2-CG2 3.49Å; D119-T122 PolarHBondContact OD2-N 3.21Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 PolarHBondContact OG1-N 3.22Å; T122-T124 PolarHBondContact OG1-OG1 3.1Å |
| 123 | T | 97.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 35.6 Ų | 35.6 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | trans | 65 | 7.7 | -169.9 | 76.5 | 0 | 0 | 0 | 0 | 115.7 | A65 K118 D119 | A65-T123 WeakPolarHBondContact CB-O 3.28Å; A65-T123 PolarHBondContact N-O 3.45Å; K118-T123 VanDerWaalsContact CE-O 3.29Å; K118-T123 WeakPolarHBondContact CE-O 3.14Å; D119-T123 WeakPolarHBondContact O-CA 3.42Å; D119-T123 PolarHBondContact O-N 3.02Å | ||
| 124 | T | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 177.9 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | M63 K118 D119 T122 R126 | M63-T124 WeakPolarHBondContact O-CB 3.46Å; M63-T124 WeakPolarHBondContact O-CG2 3.31Å; K118-T124 WeakPolarHBondContact CA-O 3.27Å; D119-T124 PolarHBondContact N-O 3.32Å; T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 PolarHBondContact OG1-N 3.22Å; T122-T124 PolarHBondContact OG1-OG1 3.1Å; T124-R126 VanDerWaalsContact OG1-CZ 3.29Å; T124-R126 PolarHBondContact OG1-NH1 3.21Å |
| 125 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.8 | 177.3 | -47.7 | 173.2 | 0 | 0 | 0 | 109.4 | I59 M63 A65 V68 Y89 V116 G117 | I59-I125 HydrophobicContact CD1-CB 4.33Å; I59-I125 HydrophobicContact CD1-CG2 3.94Å; I59-I125 HydrophobicContact CG2-CB 3.83Å; M63-I125 HydrophobicContact CE-CD1 3.89Å; A65-I125 HydrophobicContact CB-CG1 3.65Å; V68-I125 HydrophobicContact CG2-CD1 3.68Å; Y89-I125 HydrophobicContact CD1-CD1 4.04Å; Y89-I125 HydrophobicContact CD1-CG1 4.3Å; Y89-I125 HydrophobicContact CD2-CG2 4.41Å; Y89-I125 HydrophobicContact CG-CD1 4.16Å; Y89-I125 HydrophobicContact CG-CG1 4.36Å; Y89-I125 HydrophobicContact CG-CG2 4.31Å; V116-I125 HydrophobicContact CG1-CG2 3.66Å; G117-I125 WeakPolarHBondContact O-CA 3.44Å; G117-I125 WeakPolarHBondContact O-CG2 3.46Å |
| 126 | R | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 168.6 | 175.4 | -67.4 | -65.6 | -178.2 | -85 | -1.5 | 110.8 | V61 G117 D119 T124 G138 L139 V141 L146 | V61-R126 PolarHBondContact O-NH1 3.01Å; V61-R126 PolarHBondContact O-NH2 3.04Å; G117-R126 PolarHBondContact N-O 3.42Å; G117-R126 PolarHBondContact O-N 2.61Å; D119-R126 HydrophobicContact CB-CB 4.13Å; D119-R126 HydrophobicContact CB-CG 3.84Å; T124-R126 VanDerWaalsContact OG1-CZ 3.29Å; T124-R126 PolarHBondContact OG1-NH1 3.21Å; R126-G138 PolarHBondContact NE-O 3.08Å; R126-L139 WeakPolarHBondContact CA-O 3.11Å; R126-L139 WeakPolarHBondContact CB-O 3.49Å; R126-L139 VanDerWaalsContact CD-O 3.28Å; R126-L139 WeakPolarHBondContact CD-O 3.44Å; R126-V141 HydrophobicContact CB-CG1 4.02Å; R126-V141 HydrophobicContact CB-CG2 3.75Å; R126-V141 HydrophobicContact CG-CG1 4.02Å; R126-L146 HydrophobicContact CB-CD2 4.08Å |
| 127 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 162.7 | -174.8 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | I59 M85 F114 L115 V116 F134 L139 Y140 V141 | I59-V127 HydrophobicContact CD1-CG1 3.97Å; M85-V127 HydrophobicContact CE-CG1 3.35Å; F114-V127 HydrophobicContact CD2-CB 4.02Å; F114-V127 HydrophobicContact CD2-CG1 4.25Å; F114-V127 HydrophobicContact CE2-CB 4.21Å; F114-V127 HydrophobicContact CE2-CG1 4.02Å; L115-V127 CarbonylContact O-C 3.55Å; L115-V127 VanDerWaalsContact O-CA 3.22Å; L115-V127 WeakPolarHBondContact O-CA 3.11Å; V116-V127 HydrophobicContact CG1-CG1 4.36Å; V116-V127 HydrophobicContact CG2-CG1 4.23Å; V127-F134 HydrophobicContact CG1-CD1 4.49Å; V127-F134 HydrophobicContact CG2-CB 3.79Å; V127-F134 HydrophobicContact CG2-CD1 3.69Å; V127-F134 HydrophobicContact CG2-CE1 4.4Å; V127-F134 HydrophobicContact CG2-CG 3.76Å; V127-L139 HydrophobicContact CG2-CB 4.36Å; V127-L139 WeakPolarHBondContact CG2-O 3.38Å; V127-L139 PolarHBondContact N-O 2.98Å; V127-Y140 CarbonylContact O-C 3.55Å; V127-Y140 VanDerWaalsContact O-CA 3.28Å; V127-Y140 WeakPolarHBondContact O-CA 3.17Å; V127-V141 PolarHBondContact O-N 3.21Å |
| 128 | T | 98.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 17% | 0.172 | 17% | 0.174 | C | C | . | . | trans | -98.2 | 10.8 | 168.4 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | L115 E143 L146 | L115-T128 HydrophobicContact CB-CG2 4.07Å; L115-T128 HydrophobicContact CD1-CG2 4.49Å; L115-T128 PolarHBondContact N-OG1 3.31Å; L115-T128 PolarHBondContact O-N 2.8Å; T128-E143 HydrophobicContact CG2-CB 4.1Å; T128-L146 HydrophobicContact CG2-CD1 3.65Å | ||
| 129 | S | 97.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | trans | -74.6 | 134 | 178.5 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | D131 F134 Y140 | S129-D131 PolarHBondContact OG-N 2.95Å; S129-D131 PolarHBondContact OG-OD2 2.95Å; S129-D131 VanDerWaalsContact OG-OD2 3.05Å; S129-F134 VanDerWaalsContact CB-CD2 3.44Å; S129-Y140 WeakPolarHBondContact O-CD2 3.48Å | ||
| 130 | T | 95.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 50% | 0.497 | 17% | 0.171 | S | C | . | . | trans | -97.6 | 12.8 | 173.6 | 70.8 | 0 | 0 | 0 | 0 | 112.7 | L135 Y140 L293 | T130-L135 WeakPolarHBondContact O-CD1 3.14Å; T130-Y140 HydrophobicContact CG2-CD2 4.4Å; T130-Y140 HydrophobicContact CG2-CE2 3.98Å; T130-L293 HydrophobicContact CG2-CD1 3.63Å; T130-L293 HydrophobicContact CG2-CD2 4.38Å | ||
| 131 | D | 94.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -64.8 | 141.2 | 169.7 | -73.3 | -62.7 | 0 | 0 | 0 | 110 | H112 S129 Y133 F134 L135 | H112-D131 IonicContact CE1-OD1 2.72Å; H112-D131 PolarHBondContact CE1-OD1 3.05Å; H112-D131 IonicContact CE1-OD2 3.53Å; H112-D131 IonicContact CG-OD2 3.33Å; H112-D131 IonicContact ND1-OD1 3.41Å; H112-D131 IonicContact ND1-OD2 3.67Å; H112-D131 PolarHBondContact ND1-OD2 3.45Å; S129-D131 PolarHBondContact OG-N 2.95Å; S129-D131 PolarHBondContact OG-OD2 2.95Å; S129-D131 VanDerWaalsContact OG-OD2 3.05Å; D131-Y133 PolarHBondContact O-N 3.04Å; D131-F134 HydrophobicContact CB-CD2 4.06Å; D131-F134 HydrophobicContact CB-CE2 4.42Å; D131-F134 PolarHBondContact O-N 3.19Å; D131-L135 PolarHBondContact O-N 2.85Å |
| 132 | H | 94.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 22.2 Ų | 22.2 | 33% | 0.329 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.3 | -32 | -175.9 | -58.8 | 141.1 | 0 | 0 | 0 | 113.4 | F134 L135 S136 Y363 | H132-F134 PolarHBondContact O-N 3.44Å; H132-L135 PolarHBondContact O-N 3.08Å; H132-L135 VanDerWaalsContact O-N 3.11Å; H132-S136 WeakPolarHBondContact O-CB 3.49Å; H132-S136 PolarHBondContact O-N 2.9Å; H132-S136 PolarHBondContact O-OG 2.87Å; H132-Y363 HydrophobicContact CB-CD2 3.94Å; H132-Y363 HydrophobicContact CB-CE2 4.22Å |
| 133 | Y | 95.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.1 | -26.4 | 175 | 179.8 | -85.7 | 0 | 0 | 0 | 114.9 | P55 L57 L58 Q106 I107 D131 S136 Y363 | P55-Y133 HydrophobicContact CB-CE2 4.12Å; P55-Y133 HydrophobicContact CG-CD2 4.09Å; P55-Y133 HydrophobicContact CG-CE2 3.5Å; P55-Y133 VanDerWaalsContact CG-CE2 3.5Å; L57-Y133 WeakPolarHBondContact CA-OH 3.38Å; L57-Y133 HydrophobicContact CB-CE1 3.67Å; L57-Y133 PolarHBondContact N-OH 2.99Å; L58-Y133 HydrophobicContact CD2-CD1 4.26Å; L58-Y133 HydrophobicContact CD2-CE1 3.67Å; L58-Y133 HydrophobicContact CD2-CE2 4.4Å; L58-Y133 HydrophobicContact CG-CE1 4.19Å; L58-Y133 PolarHBondContact N-OH 2.82Å; L58-Y133 VanDerWaalsContact N-OH 3.11Å; Q106-Y133 HydrophobicContact CB-CD2 4.06Å; Q106-Y133 HydrophobicContact CB-CE2 4.44Å; I107-Y133 HydrophobicContact CD1-CD1 3.91Å; I107-Y133 HydrophobicContact CD1-CD2 4.2Å; I107-Y133 HydrophobicContact CD1-CE1 4.21Å; I107-Y133 HydrophobicContact CD1-CG 3.91Å; I107-Y133 HydrophobicContact CG1-CD1 4.19Å; I107-Y133 HydrophobicContact CG1-CD2 3.79Å; I107-Y133 HydrophobicContact CG1-CE2 4.46Å; I107-Y133 HydrophobicContact CG1-CG 3.66Å; D131-Y133 PolarHBondContact O-N 3.04Å; Y133-S136 PolarHBondContact O-OG 2.91Å; Y133-Y363 VanDerWaalsContact CD2-OH 3.28Å; Y133-Y363 WeakPolarHBondContact CD2-OH 3.4Å |
| 134 | F | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -101 | -20.5 | 175.5 | -57.8 | -79.2 | 0 | 0 | 0 | 112.4 | L57 M85 F114 V127 S129 D131 H132 L139 | L57-F134 HydrophobicContact CB-CE1 4.17Å; L57-F134 HydrophobicContact CB-CZ 4.06Å; L57-F134 HydrophobicContact CD1-CZ 4.24Å; L57-F134 WeakPolarHBondContact O-CE1 3.06Å; M85-F134 HydrophobicContact CE-CE1 4.36Å; F114-F134 HydrophobicContact CE1-CE2 4.3Å; F114-F134 HydrophobicContact CE1-CZ 4.47Å; F114-F134 HydrophobicContact CE2-CE2 4.49Å; F114-F134 HydrophobicContact CE2-CZ 4.15Å; F114-F134 HydrophobicContact CZ-CE1 4.5Å; F114-F134 AromaticContact CZ-CE2 3.91Å; F114-F134 HydrophobicContact CZ-CE2 3.91Å; F114-F134 AromaticContact CZ-CZ 3.67Å; F114-F134 HydrophobicContact CZ-CZ 3.67Å; V127-F134 HydrophobicContact CG1-CD1 4.49Å; V127-F134 HydrophobicContact CG2-CB 3.79Å; V127-F134 HydrophobicContact CG2-CD1 3.69Å; V127-F134 HydrophobicContact CG2-CE1 4.4Å; V127-F134 HydrophobicContact CG2-CG 3.76Å; S129-F134 VanDerWaalsContact CB-CD2 3.44Å; D131-F134 HydrophobicContact CB-CD2 4.06Å; D131-F134 HydrophobicContact CB-CE2 4.42Å; D131-F134 PolarHBondContact O-N 3.19Å; H132-F134 PolarHBondContact O-N 3.44Å; F134-L139 HydrophobicContact CB-CB 4.21Å; F134-L139 HydrophobicContact CD1-CB 4.36Å; F134-L139 HydrophobicContact CD1-CD1 4.17Å; F134-L139 WeakPolarHBondContact O-CB 3.32Å; F134-L139 PolarHBondContact O-N 3.05Å |
| 135 | L | 95.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -81.6 | -29.6 | 176.8 | -58.5 | 178 | 0 | 0 | 0 | 112.3 | T130 D131 H132 D137 Y140 F281 P284 L293 V297 | T130-L135 WeakPolarHBondContact O-CD1 3.14Å; D131-L135 PolarHBondContact O-N 2.85Å; H132-L135 PolarHBondContact O-N 3.08Å; H132-L135 VanDerWaalsContact O-N 3.11Å; L135-D137 VanDerWaalsContact C-N 3.32Å; L135-Y140 HydrophobicContact CD2-CD1 4.2Å; L135-Y140 HydrophobicContact CD2-CD2 4.49Å; L135-Y140 HydrophobicContact CD2-CG 3.83Å; L135-F281 HydrophobicContact CB-CE1 4.11Å; L135-F281 HydrophobicContact CB-CZ 3.73Å; L135-P284 HydrophobicContact CD1-CG 4.08Å; L135-L293 HydrophobicContact CD1-CD2 3.81Å; L135-L293 HydrophobicContact CD2-CD2 4.05Å; L135-V297 HydrophobicContact CD2-CG2 3.72Å |
| 136 | S | 94.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -38.2 | 172.8 | 40.9 | 0 | 0 | 0 | 0 | 112.7 | H132 Y133 R300 D362 Y363 | H132-S136 WeakPolarHBondContact O-CB 3.49Å; H132-S136 PolarHBondContact O-N 2.9Å; H132-S136 PolarHBondContact O-OG 2.87Å; Y133-S136 PolarHBondContact O-OG 2.91Å; S136-R300 WeakPolarHBondContact O-CG 3.04Å; S136-R300 PolarHBondContact O-NE 3.13Å; S136-D362 WeakPolarHBondContact CB-OD2 3.26Å; S136-Y363 WeakPolarHBondContact OG-CD1 3.48Å; S136-Y363 WeakPolarHBondContact OG-CE1 3.21Å |
| 137 | D | 94.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 35 Ų | 35 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 11.8 | -169.3 | -63.7 | -105.1 | 0 | 0 | 0 | 112.5 | L58 L135 L139 | L58-D137 HydrophobicContact CD2-CB 3.95Å; L135-D137 VanDerWaalsContact C-N 3.32Å; D137-L139 VanDerWaalsContact C-N 3.26Å; D137-L139 HydrophobicContact CB-CD1 4.06Å; D137-L139 HydrophobicContact CB-CG 3.94Å; D137-L139 PolarHBondContact O-N 3.28Å |
| 138 | G | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 23.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R126 | R126-G138 PolarHBondContact NE-O 3.08Š|
| 139 | L | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -90.2 | -11.6 | -170.5 | -64 | -178.3 | 0 | 0 | 0 | 114.5 | L58 I59 V61 R126 V127 F134 D137 | L58-L139 HydrophobicContact CD2-CD1 3.88Å; I59-L139 HydrophobicContact CB-CD1 4.09Å; I59-L139 HydrophobicContact CB-CD2 3.85Å; I59-L139 HydrophobicContact CD1-CD1 4.36Å; I59-L139 HydrophobicContact CD1-CD2 4.41Å; I59-L139 HydrophobicContact CG1-CD1 4.28Å; I59-L139 HydrophobicContact CG2-CD2 4.41Å; V61-L139 HydrophobicContact CG1-CD2 3.89Å; R126-L139 WeakPolarHBondContact CA-O 3.11Å; R126-L139 WeakPolarHBondContact CB-O 3.49Å; R126-L139 VanDerWaalsContact CD-O 3.28Å; R126-L139 WeakPolarHBondContact CD-O 3.44Å; V127-L139 HydrophobicContact CG2-CB 4.36Å; V127-L139 WeakPolarHBondContact CG2-O 3.38Å; V127-L139 PolarHBondContact N-O 2.98Å; F134-L139 HydrophobicContact CB-CB 4.21Å; F134-L139 HydrophobicContact CD1-CB 4.36Å; F134-L139 HydrophobicContact CD1-CD1 4.17Å; F134-L139 WeakPolarHBondContact O-CB 3.32Å; F134-L139 PolarHBondContact O-N 3.05Å; D137-L139 VanDerWaalsContact C-N 3.26Å; D137-L139 HydrophobicContact CB-CD1 4.06Å; D137-L139 HydrophobicContact CB-CG 3.94Å; D137-L139 PolarHBondContact O-N 3.28Å | ||
| 140 | Y | 97.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -82.7 | 137.9 | 179 | 169 | -93.1 | 0 | 0 | 0 | 113.1 | V127 S129 T130 L135 L293 V294 V297 | V127-Y140 CarbonylContact O-C 3.55Å; V127-Y140 VanDerWaalsContact O-CA 3.28Å; V127-Y140 WeakPolarHBondContact O-CA 3.17Å; S129-Y140 WeakPolarHBondContact O-CD2 3.48Å; T130-Y140 HydrophobicContact CG2-CD2 4.4Å; T130-Y140 HydrophobicContact CG2-CE2 3.98Å; L135-Y140 HydrophobicContact CD2-CD1 4.2Å; L135-Y140 HydrophobicContact CD2-CD2 4.49Å; L135-Y140 HydrophobicContact CD2-CG 3.83Å; Y140-L293 HydrophobicContact CD1-CB 4.27Å; Y140-L293 HydrophobicContact CE1-CB 3.65Å; Y140-L293 HydrophobicContact CE1-CD1 4.43Å; Y140-V294 HydrophobicContact CE1-CG2 4.49Å; Y140-V297 HydrophobicContact CD1-CG2 4.11Å |
| 141 | V | 97.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -140.6 | 158.2 | 162.1 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | R126 V127 Q145 L146 | R126-V141 HydrophobicContact CB-CG1 4.02Å; R126-V141 HydrophobicContact CB-CG2 3.75Å; R126-V141 HydrophobicContact CG-CG1 4.02Å; V127-V141 PolarHBondContact O-N 3.21Å; V141-Q145 HydrophobicContact CB-CB 4.5Å; V141-Q145 HydrophobicContact CG2-CB 4.46Å; V141-L146 HydrophobicContact CG2-CD1 4.38Å; V141-L146 HydrophobicContact CG2-CD2 3.35Å; V141-L146 HydrophobicContact CG2-CG 3.67Å | ||
| 142 | P | 97.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | trans | -57.6 | 153.1 | 170.8 | -27.6 | 37.3 | 0 | 0 | 0 | 114.3 | D144 Q145 E290 V294 | P142-D144 VanDerWaalsContact C-N 3.3Å; P142-D144 PolarHBondContact O-N 2.8Å; P142-Q145 HydrophobicContact CB-CG 4.38Å; P142-Q145 PolarHBondContact O-N 3.46Å; P142-E290 HydrophobicContact CB-CG 4.25Å; P142-E290 HydrophobicContact CG-CG 4.01Å; P142-V294 HydrophobicContact CG-CG2 3.75Å | ||
| 143 | E | 97.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -61.5 | -34.2 | -175.4 | 176.5 | 169.7 | 151.3 | 0 | 0 | 113.4 | L115 T128 Q145 L146 Q149 | L115-E143 VanDerWaalsContact CD1-CD 3.49Å; L115-E143 HydrophobicContact CD1-CG 3.65Å; T128-E143 HydrophobicContact CG2-CB 4.1Å; E143-Q145 PolarHBondContact O-N 3.44Å; E143-L146 PolarHBondContact O-N 3.49Å; E143-Q149 PolarHBondContact O-NE2 3.39Å |
| 144 | D | 97 | Very high | 97 | Very high | 137 Ų | 137 | 41.7 Ų | 41.7 | 73% | 0.733 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -74.9 | -11.9 | -178.4 | 74.3 | -31.9 | 0 | 0 | 0 | 113.8 | P142 | P142-D144 VanDerWaalsContact C-N 3.3Å; P142-D144 PolarHBondContact O-N 2.8Å |
| 145 | Q | 97.2 | Very high | 97 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -90.5 | -6.5 | 174.4 | -56.9 | -175.9 | 22.8 | 0 | 0 | 113.1 | T120 V141 P142 E143 | T120-Q145 WeakPolarHBondContact CG2-O 3.45Å; T120-Q145 PolarHBondContact N-O 3.41Å; T120-Q145 PolarHBondContact OG1-O 3.37Å; V141-Q145 HydrophobicContact CB-CB 4.5Å; V141-Q145 HydrophobicContact CG2-CB 4.46Å; P142-Q145 HydrophobicContact CB-CG 4.38Å; P142-Q145 PolarHBondContact O-N 3.46Å; E143-Q145 PolarHBondContact O-N 3.44Å |
| 146 | L | 97.7 | Very high | 97 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.7 | -179.6 | -69.5 | -174.6 | 0 | 0 | 0 | 113.9 | L115 K118 D119 R126 T128 V141 E143 Q149 | L115-L146 HydrophobicContact CB-CD1 4.25Å; K118-L146 WeakPolarHBondContact O-CA 3.35Å; D119-L146 HydrophobicContact CB-CD2 4.46Å; R126-L146 HydrophobicContact CB-CD2 4.08Å; T128-L146 HydrophobicContact CG2-CD1 3.65Å; V141-L146 HydrophobicContact CG2-CD1 4.38Å; V141-L146 HydrophobicContact CG2-CD2 3.35Å; V141-L146 HydrophobicContact CG2-CG 3.67Å; E143-L146 PolarHBondContact O-N 3.49Å; L146-Q149 HydrophobicContact CB-CG 3.88Å; L146-Q149 WeakPolarHBondContact O-CG 3.33Å; L146-Q149 PolarHBondContact O-NE2 3.04Å |
| 147 | E | 97.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 160.9 | 162.8 | -72 | -168.7 | 170.3 | 0 | 0 | 112.7 | G117 K118 T120 Q149 | G117-E147 WeakPolarHBondContact CA-O 3.26Å; K118-E147 HydrophobicContact CB-CB 4.46Å; K118-E147 PolarHBondContact N-O 3.27Å; K118-E147 PolarHBondContact O-N 3.32Å; T120-E147 HydrophobicContact CG2-CG 3.81Å; E147-Q149 PolarHBondContact O-N 3.37Å |
| 148 | N | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.7 | 21.2 | 172.6 | -63.6 | -60.7 | 0 | 0 | 0 | 115.7 | Y89 K150 | Y89-N148 HydrophobicContact CE2-CB 4.07Å; N148-K150 PolarHBondContact O-NZ 3.15Å |
| 149 | Q | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -37.5 | 133.7 | -176 | -60.5 | 169.8 | -10.9 | 0 | 0 | 114.8 | L115 V116 E143 L146 E147 | L115-Q149 HydrophobicContact CD1-CB 4.45Å; L115-Q149 HydrophobicContact CD1-CG 4.26Å; V116-Q149 CarbonylContact O-C 3.57Å; V116-Q149 WeakPolarHBondContact O-CA 3.25Å; E143-Q149 PolarHBondContact O-NE2 3.39Å; L146-Q149 HydrophobicContact CB-CG 3.88Å; L146-Q149 WeakPolarHBondContact O-CG 3.33Å; L146-Q149 PolarHBondContact O-NE2 3.04Å; E147-Q149 PolarHBondContact O-N 3.37Å |
| 150 | K | 97.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 22% | 0.217 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121 | 172 | -56.8 | -60.7 | -175.2 | -54.8 | 0 | 108.7 | Y89 L115 V116 N148 L152 | Y89-K150 WeakPolarHBondContact O-CE 3.38Å; Y89-K150 WeakPolarHBondContact O-CG 3.4Å; Y89-K150 PolarHBondContact O-NZ 2.91Å; L115-K150 WeakPolarHBondContact CA-O 3.23Å; V116-K150 PolarHBondContact N-O 2.85Å; V116-K150 PolarHBondContact O-N 3.47Å; N148-K150 PolarHBondContact O-NZ 3.15Å; K150-L152 PolarHBondContact O-N 3.21Å |
| 151 | P | 97.5 | Very high | 96 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.4 | 174 | 29.7 | -32.8 | 0 | 0 | 0 | 110.4 | L115 | L115-P151 HydrophobicContact CD2-CB 4.03Å |
| 152 | L | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.7 | 170.8 | -177.8 | 57.8 | 0 | 0 | 0 | 109.6 | M85 V88 V96 F114 V116 K150 | M85-L152 HydrophobicContact SD-CD2 3.93Å; V88-L152 HydrophobicContact CG1-CB 4.07Å; V88-L152 HydrophobicContact CG1-CD1 4.1Å; V88-L152 HydrophobicContact CG1-CD2 4.24Å; V88-L152 HydrophobicContact CG1-CG 4.36Å; V88-L152 HydrophobicContact CG2-CD1 4.07Å; V88-L152 HydrophobicContact CG2-CD2 4.18Å; V96-L152 HydrophobicContact CB-CD1 4.47Å; V96-L152 HydrophobicContact CG2-CD1 4.08Å; F114-L152 HydrophobicContact CE1-CD2 4.43Å; F114-L152 HydrophobicContact CE2-CD2 3.94Å; F114-L152 HydrophobicContact CZ-CD2 3.71Å; F114-L152 HydrophobicContact CZ-CG 4.47Å; F114-L152 PolarHBondContact N-O 2.88Å; F114-L152 PolarHBondContact O-N 3.4Å; V116-L152 HydrophobicContact CG2-CB 4.19Å; V116-L152 HydrophobicContact CG2-CD2 4.43Å; K150-L152 PolarHBondContact O-N 3.21Å |
| 153 | Q | 96.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.4 | 155.6 | 178.9 | 166.5 | -23 | 0 | 0 | 108.9 | S94 H95 V96 H113 D155 | S94-Q153 PolarHBondContact O-N 3.42Å; H95-Q153 VanDerWaalsContact CA-O 3.3Å; H95-Q153 WeakPolarHBondContact CA-O 3.19Å; H95-Q153 PolarHBondContact CD2-O 3.02Å; H95-Q153 PolarHBondContact CE1-NE2 3.25Å; V96-Q153 PolarHBondContact N-O 3.19Å; H113-Q153 VanDerWaalsContact NE2-CG 3.27Å; H113-Q153 WeakPolarHBondContact NE2-CG 3.43Å; H113-Q153 PolarHBondContact NE2-OE1 3.19Å; Q153-D155 WeakPolarHBondContact CG-OD2 3.4Å; Q153-D155 PolarHBondContact NE2-OD2 3.03Å |
| 154 | L | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.8 | 171.8 | 171.8 | 65.3 | 0 | 0 | 0 | 108.8 | L57 V96 W98 I107 K111 H112 F114 V156 | L57-L154 HydrophobicContact CD1-CD1 3.92Å; L57-L154 HydrophobicContact CD1-CD2 3.49Å; L57-L154 VanDerWaalsContact CD1-CD2 3.49Å; L57-L154 HydrophobicContact CD1-CG 4.29Å; V96-L154 HydrophobicContact CB-CD1 4.01Å; V96-L154 HydrophobicContact CG1-CD1 3.8Å; V96-L154 WeakPolarHBondContact O-CA 3.42Å; W98-L154 HydrophobicContact CB-CD1 4.38Å; I107-L154 HydrophobicContact CD1-CD2 4.11Å; I107-L154 HydrophobicContact CG2-CD2 4.42Å; K111-L154 WeakPolarHBondContact CA-O 3.24Å; H112-L154 HydrophobicContact CB-CB 4.26Å; H112-L154 PolarHBondContact N-O 2.92Å; H112-L154 PolarHBondContact O-N 3.01Å; F114-L154 HydrophobicContact CE1-CB 4.3Å; F114-L154 HydrophobicContact CE1-CD2 4.37Å; L154-V156 HydrophobicContact CD1-CG2 4.18Å; L154-V156 HydrophobicContact CD2-CG2 3.96Å; L154-V156 HydrophobicContact CG-CG2 3.83Å |
| 155 | D | 96.4 | Very high | 89 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.2 | 169.3 | -74.4 | -121.2 | 0 | 0 | 0 | 108.5 | H95 V96 V97 W98 G110 K111 Q153 I157 | H95-D155 IonicContact CD2-OD2 2.73Å; H95-D155 IonicContact CE1-OD2 2.78Å; H95-D155 PolarHBondContact CE1-OD2 2.93Å; H95-D155 IonicContact NE2-OD2 2.69Å; H95-D155 PolarHBondContact NE2-OD2 3.09Å; V96-D155 PolarHBondContact O-N 3.12Å; V97-D155 CarbonylContact C-O 3.57Å; V97-D155 WeakPolarHBondContact CA-O 3.46Å; V97-D155 HydrophobicContact CG1-CB 4.16Å; V97-D155 HydrophobicContact CG2-CB 4.32Å; W98-D155 PolarHBondContact N-O 3.25Å; G110-D155 WeakPolarHBondContact O-CA 3.46Å; K111-D155 WeakPolarHBondContact CE-OD1 3.47Å; K111-D155 VanDerWaalsContact CG-OD1 3.3Å; K111-D155 WeakPolarHBondContact CG-OD1 3.33Å; Q153-D155 WeakPolarHBondContact CG-OD2 3.4Å; Q153-D155 PolarHBondContact NE2-OD2 3.03Å; D155-I157 HydrophobicContact CB-CD1 4.24Å; D155-I157 HydrophobicContact CB-CG1 4.35Å |
| 156 | V | 97 | Very high | 86 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.2 | 177.8 | 179 | 0 | 0 | 0 | 0 | 109.1 | W98 I107 G110 L154 | W98-V156 HydrophobicContact CE3-CB 4.36Å; W98-V156 HydrophobicContact CE3-CG1 3.55Å; W98-V156 HydrophobicContact CE3-CG2 4.02Å; W98-V156 HydrophobicContact CZ3-CG1 3.88Å; I107-V156 HydrophobicContact CB-CG2 4.32Å; I107-V156 HydrophobicContact CG2-CG2 3.92Å; G110-V156 PolarHBondContact N-O 3.3Å; G110-V156 VanDerWaalsContact N-O 3.08Å; G110-V156 PolarHBondContact O-N 3.01Å; L154-V156 HydrophobicContact CD1-CG2 4.18Å; L154-V156 HydrophobicContact CD2-CG2 3.96Å; L154-V156 HydrophobicContact CG-CG2 3.83Å |
| 157 | I | 95.6 | Very high | 83.1 | Confident | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 107.8 | -167.2 | -54 | -178.9 | 0 | 0 | 0 | 111 | V97 W98 F99 H100 D155 V159 I238 | V97-I157 HydrophobicContact CG1-CD1 3.82Å; V97-I157 HydrophobicContact CG1-CG1 4.45Å; W98-I157 PolarHBondContact O-N 3.16Å; F99-I157 WeakPolarHBondContact CA-O 3.41Å; F99-I157 HydrophobicContact CD1-CB 3.99Å; F99-I157 HydrophobicContact CD1-CG2 4.19Å; F99-I157 HydrophobicContact CE1-CB 4.09Å; F99-I157 HydrophobicContact CE1-CD1 4.01Å; F99-I157 HydrophobicContact CE1-CG2 4.15Å; H100-I157 VanDerWaalsContact CD2-C 3.42Å; H100-I157 PolarHBondContact N-O 3.04Å; D155-I157 HydrophobicContact CB-CD1 4.24Å; D155-I157 HydrophobicContact CB-CG1 4.35Å; I157-V159 PolarHBondContact O-N 3.39Å; I157-I238 HydrophobicContact CD1-CD1 4.01Å; I157-I238 HydrophobicContact CD1-CG1 4.13Å |
| 158 | M | 95 | Very high | 80.2 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.7 | 176 | -171.2 | -153 | -46.2 | 0 | 0 | 111.9 | H100 T102 E109 K160 | H100-M158 PolarHBondContact CD2-N 3.5Å; H100-M158 VanDerWaalsContact NE2-CA 3.34Å; H100-M158 WeakPolarHBondContact NE2-CA 3.42Å; H100-M158 PolarHBondContact NE2-N 2.99Å; H100-M158 VanDerWaalsContact NE2-N 3.16Å; H100-M158 CarbonylContact O-C 3.13Å; H100-M158 WeakPolarHBondContact O-CA 3.48Å; T102-M158 HydrophobicContact CG2-CG 4.26Å; T102-M158 HydrophobicContact CG2-SD 3.82Å; E109-M158 HydrophobicContact CG-CB 4.4Å; E109-M158 WeakPolarHBondContact OE1-CE 3.35Å; M158-K160 HydrophobicContact SD-CD 4.4Å; M158-K160 VanDerWaalsContact SD-CE 3.57Å; M158-K160 HydrophobicContact SD-CG 3.88Å |
| 159 | V | 93.2 | Very high | 77.4 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.9 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | F51 F99 H100 I157 F256 | F51-V159 HydrophobicContact CE1-CG2 4.24Å; F99-V159 HydrophobicContact CB-CG2 3.81Å; F99-V159 HydrophobicContact CD1-CG2 3.98Å; F99-V159 HydrophobicContact CG-CG2 4.29Å; H100-V159 PolarHBondContact O-N 3.21Å; I157-V159 PolarHBondContact O-N 3.39Å; V159-F256 HydrophobicContact CB-CE2 4.17Å; V159-F256 HydrophobicContact CB-CZ 3.81Å; V159-F256 HydrophobicContact CG1-CZ 3.93Å; V159-F256 HydrophobicContact CG2-CE2 4.26Å; V159-F256 HydrophobicContact CG2-CZ 4.12Å |
| 160 | K | 88.6 | Confident | 74.4 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 137.9 | 175.2 | -65.1 | 168.9 | -173.4 | 168.1 | 0 | 109.5 | T102 M158 Q230 S382 | T102-K160 HydrophobicContact CG2-CG 4.26Å; M158-K160 HydrophobicContact SD-CD 4.4Å; M158-K160 VanDerWaalsContact SD-CE 3.57Å; M158-K160 HydrophobicContact SD-CG 3.88Å; K160-Q230 VanDerWaalsContact NZ-OE1 3.08Å; K160-S382 PolarHBondContact O-OG 2.63Å |
| 161 | P | 86.5 | Confident | 71.2 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 16% | 0.156 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -58 | 140.1 | 175.8 | -23.5 | 31.1 | 0 | 0 | 0 | 112.8 | K163 L379 | P161-K163 PolarHBondContact O-N 2.76Å; P161-L379 HydrophobicContact CB-CD2 4.31Å; P161-L379 HydrophobicContact CB-CG 4.3Å; P161-L379 HydrophobicContact CG-CD2 3.86Å; P161-L379 HydrophobicContact CG-CG 4.08Å |
| 162 | Y | 78.3 | Confident | 68.2 | Low | 99 Ų | 99 | 86.5 Ų | 86.5 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | trans | -73.3 | 91.4 | -178.9 | -175.4 | -93.9 | 0 | 0 | 0 | 111.1 | L164 Y378 Q381 S382 | Y162-L164 HydrophobicContact CE1-CD1 4.09Å; Y162-L164 HydrophobicContact CE1-CG 4.3Å; Y162-L164 PolarHBondContact O-N 3.31Å; Y162-Y378 WeakPolarHBondContact CB-O 3.35Å; Y162-Y378 PolarHBondContact N-O 3.16Å; Y162-Y378 WeakPolarHBondContact O-CD1 3.49Å; Y162-Q381 HydrophobicContact CD1-CB 4.36Å; Y162-Q381 HydrophobicContact CD1-CG 3.54Å; Y162-Q381 HydrophobicContact CE1-CG 4.16Å; Y162-Q381 HydrophobicContact CG-CB 4.41Å; Y162-Q381 HydrophobicContact CG-CG 3.79Å; Y162-S382 WeakPolarHBondContact CB-OG 3.32Å; Y162-S382 PolarHBondContact N-OG 3.36Å | ||
| 163 | K | 73.3 | Confident | 65 | Low | 166 Ų | 166 | 90.9 Ų | 90.9 | 72% | 0.722 | 48% | 0.483 | S | S | * | . | trans | -79.1 | 113.7 | 174.9 | -64.2 | -169.3 | 178.8 | -172.6 | 0 | 110.3 | P161 C165 | P161-K163 PolarHBondContact O-N 2.76Å; K163-C165 PolarHBondContact O-N 2.83Å | ||
| 164 | L | 50.7 | Low | 61.8 | Low | 105 Ų | 105 | 95.2 Ų | 95.2 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | trans | -67.5 | 112.9 | 177.8 | -142.3 | 129.2 | 0 | 0 | 0 | 109.7 | Y162 N166 | Y162-L164 HydrophobicContact CE1-CD1 4.09Å; Y162-L164 HydrophobicContact CE1-CG 4.3Å; Y162-L164 PolarHBondContact O-N 3.31Å; L164-N166 PolarHBondContact O-N 3.09Å | ||
| 165 | C | 40.3 | Very low | 58.4 | Low | 87 Ų | 87 | 100.6 Ų | 100.6 | 59% | 0.588 | 55% | 0.55 | S | S | * | * | trans | -74.2 | 121.8 | 168.4 | -64.5 | 0 | 0 | 0 | 0 | 109 | K163 N167 | K163-C165 PolarHBondContact O-N 2.83Å; C165-N167 PolarHBondContact O-N 3.3Å | ||
| 166 | N | 34.1 | Very low | 55.2 | Low | 130 Ų | 130 | 106.4 Ų | 106.4 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | trans | -72.9 | 54.9 | -178.9 | -75.6 | 0.7 | 0 | 0 | 0 | 113.4 | L164 Q168 | L164-N166 PolarHBondContact O-N 3.09Å; N166-Q168 PolarHBondContact O-N 2.82Å | ||
| 167 | N | 37.3 | Very low | 51.9 | Low | 144 Ų | 144 | 111 Ų | 111 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 28.8 | -178.6 | -68.7 | -5.6 | 0 | 0 | 0 | 112.7 | C165 | C165-N167 PolarHBondContact O-N 3.3Š|
| 168 | Q | 36.8 | Very low | 48.8 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 23.7 | 176.8 | -70.4 | -159.9 | -3.6 | 0 | 0 | 115.2 | N166 | N166-Q168 PolarHBondContact O-N 2.82Š|
| 169 | E | 36.5 | Very low | 45.6 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -100.8 | 24.6 | 166.4 | -72.8 | -152.9 | 130.2 | 0 | 0 | 114.3 | ||
| 170 | E | 36.1 | Very low | 42.9 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -152.3 | 64.7 | 167.3 | -137.8 | 176.7 | -141.3 | 0 | 0 | 114.5 | ||
| 171 | N | 30.4 | Very low | 39.9 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -152.6 | 15.4 | 161.7 | -107.3 | -66.3 | 0 | 0 | 0 | 115.6 | A173 | N171-A173 PolarHBondContact O-N 3.3Å; N171-A173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | A | 33.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 95% | 0.95 | 77% | 0.767 | S | S | * | * | trans | -83.7 | 40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 173 | A | 31.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | -132.8 | 69.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113 | N171 | N171-A173 PolarHBondContact O-N 3.3Å; N171-A173 VanDerWaalsContact O-N 3.09Å | ||
| 174 | V | 29.1 | Very low | 32.4 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -128 | 138.4 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 175 | S | 26.7 | Very low | 31.2 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 71 | 78 | 165.3 | -175.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 176 | S | 28.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -147 | 71.9 | 142.2 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | K178 | S176-K178 PolarHBondContact O-N 2.9Š| ||
| 177 | A | 28.4 | Very low | 30.2 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -81.4 | 107.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 178 | K | 30.8 | Very low | 29.7 | Very low | 210 Ų | 210 | 148 Ų | 148 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -168.5 | 109.7 | 152 | -106.3 | 155.3 | -171.8 | 176 | 0 | 113.5 | S176 | S176-K178 PolarHBondContact O-N 2.9Š| ||
| 179 | K | 28 | Very low | 29.2 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -83.2 | 174.2 | 150.4 | -85.4 | -177.3 | 175.4 | 177.4 | 0 | 108.9 | ||||
| 180 | P | 36.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -124 | -158.9 | 2.1 | 45.9 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 181 | K | 26 | Very low | 28.3 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | cis | -161.9 | 151.7 | -0.2 | -149.8 | -157.8 | 161.7 | -158.9 | 0 | 109.3 | ||||
| 182 | L | 26.1 | Very low | 28.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 61% | 0.613 | 79% | 0.79 | S | S | * | * | trans | 63.3 | 163.4 | 160.1 | -67.4 | -178 | 0 | 0 | 0 | 117.1 | ||||
| 183 | D | 26.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | cis | -135.2 | -177.4 | 3 | -117.3 | -39.5 | 0 | 0 | 0 | 111.8 | ||||
| 184 | L | 27.5 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -88.2 | 153 | 176.1 | -54.2 | 95.3 | 0 | 0 | 0 | 112.6 | ||||
| 185 | E | 25.9 | Very low | 27.7 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | 172.4 | 173.5 | 107.8 | -94.3 | -173.2 | 177.9 | 0 | 0 | 112.6 | |||||
| 186 | D | 24.9 | Very low | 27.7 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 159.9 | -166.1 | -54.4 | -58.8 | 0 | 0 | 0 | 115.9 | ||||
| 187 | S | 28.2 | Very low | 27.8 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | -159.8 | 139.8 | 124.9 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 188 | E | 25.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -57.9 | 163.9 | 156.1 | -53.6 | 174.2 | 141.9 | 0 | 0 | 109.6 | ||||
| 189 | N | 27.8 | Very low | 27.8 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | -177.7 | 170.9 | 67.5 | -127.2 | -59.8 | 0 | 0 | 0 | 113.8 | |||||
| 190 | T | 26.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 40.8 | 114.7 | 158.7 | 57.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 191 | A | 26.3 | Very low | 27.3 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | cis | 62.9 | 113.4 | 42.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 192 | S | 28.6 | Very low | 27.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -166 | 134.6 | 144.7 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 193 | T | 27.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 40.8 | 144.6 | 138.2 | 61.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 194 | N | 30.2 | Very low | 27.5 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -176.6 | 170.7 | 3.8 | -105.5 | 5.8 | 0 | 0 | 0 | 107.2 | ||||
| 195 | C | 26.7 | Very low | 27.4 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | -163.8 | 152.8 | -17.7 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 196 | D | 26.6 | Very low | 27.4 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 27.3 | 128 | 145.3 | -45.3 | -41.3 | 0 | 0 | 0 | 122 | ||||
| 197 | S | 29.4 | Very low | 27.4 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 166.6 | 147.8 | 105.9 | -71 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 198 | S | 28.6 | Very low | 27.2 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | cis | -175.3 | 126.9 | -24.6 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 199 | S | 31.1 | Very low | 27.3 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 57.3 | 169.9 | 152.4 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 200 | E | 29.2 | Very low | 27.1 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | cis | -125 | 172.7 | 4.2 | -67.6 | 179.3 | 140.1 | 0 | 0 | 111.3 | ||||
| 201 | G | 24.6 | Very low | 27.1 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -145.1 | 162.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 202 | L | 26.6 | Very low | 27 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -147.6 | 143.7 | 177.1 | -119.3 | 146.9 | 0 | 0 | 0 | 112.4 | ||||
| 203 | E | 26.9 | Very low | 26.9 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -76.7 | 172.8 | 179.5 | -39.1 | -173.8 | 122.8 | 0 | 0 | 110.7 | ||||
| 204 | K | 29.3 | Very low | 26.8 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | cis | -168.8 | -177.1 | 7.9 | -132.5 | 160.9 | -153.8 | 152.8 | 0 | 107 | ||||
| 205 | D | 25.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -159 | -164 | 2.6 | -150.4 | -46 | 0 | 0 | 0 | 108.6 | ||||
| 206 | T | 25.1 | Very low | 26.6 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 75.4 | 105.2 | 160.6 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 207 | A | 24.4 | Very low | 26.6 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -85 | 176.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 208 | T | 24.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -159.5 | 145 | 18.5 | -40.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 209 | Q | 26.5 | Very low | 26.3 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | trans | -161.7 | 163.8 | 137.7 | -114.9 | 164.4 | 78 | 0 | 0 | 112.1 | ||||
| 210 | R | 24.8 | Very low | 26.3 | Very low | 227 Ų | 227 | 142.1 Ų | 142.1 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -104.4 | 146.2 | -163.8 | -66 | 178.3 | 173.5 | -175.8 | -4 | 113.9 | ||||
| 211 | S | 25.6 | Very low | 26.2 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -147.6 | 148.1 | 131.4 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 212 | D | 25.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 134.4 | -160.4 | -49.3 | -80.3 | 0 | 0 | 0 | 114.2 | ||||
| 213 | Q | 26.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -130.7 | 93.2 | 172.5 | -170 | 89.9 | 43.8 | 0 | 0 | 108.8 | C215 | Q213-C215 PolarHBondContact O-N 2.97Š| ||
| 214 | T | 25.1 | Very low | 27.7 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -85.5 | 97.1 | 176.4 | -47.2 | 0 | 0 | 0 | 0 | 109.5 | L216 | T214-L216 PolarHBondContact O-N 2.97Å; T214-L216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | C | 23.5 | Very low | 27.8 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | trans | -66.2 | 110 | 172.2 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | Q213 | Q213-C215 PolarHBondContact O-N 2.97Š| ||
| 216 | L | 28.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -96.3 | 113.2 | 167 | -70.9 | 173.2 | 0 | 0 | 0 | 108.4 | T214 | T214-L216 PolarHBondContact O-N 2.97Å; T214-L216 VanDerWaalsContact O-N 3.13Å | ||
| 217 | E | 26.1 | Very low | 29.2 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -65.5 | 132.9 | 170.9 | -61.7 | 179 | 142.6 | 0 | 0 | 109.6 | S219 | E217-S219 PolarHBondContact O-N 2.67Š| ||
| 218 | P | 27.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -67.4 | 107 | 171.8 | -18.7 | 32.2 | 0 | 0 | 0 | 109.9 | C220 | P218-C220 PolarHBondContact O-N 2.92Š| ||
| 219 | S | 25.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 108.5 | 178.3 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | E217 S221 | E217-S219 PolarHBondContact O-N 2.67Å; S219-S221 PolarHBondContact O-N 3.1Å | ||
| 220 | C | 30.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 91% | 0.905 | 71% | 0.713 | S | S | * | * | trans | -53.8 | 122.1 | 176 | -173 | 0 | 0 | 0 | 0 | 110.3 | P218 | P218-C220 PolarHBondContact O-N 2.92Š| ||
| 221 | S | 27.5 | Very low | 33.3 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -128.5 | 131.9 | 178.2 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | S219 S223 | S219-S221 PolarHBondContact O-N 3.1Å; S221-S223 PolarHBondContact O-N 3.42Å | ||
| 222 | C | 29 | Very low | 34.7 | Very low | 118 Ų | 118 | 117 Ų | 117 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -70.1 | 120.5 | -162.8 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 223 | S | 36.8 | Very low | 36.2 | Very low | 83 Ų | 83 | 113 Ų | 113 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | trans | -92.8 | -4.8 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | S221 E225 N226 | S221-S223 PolarHBondContact O-N 3.42Å; S223-E225 PolarHBondContact O-N 3.04Å; S223-N226 PolarHBondContact O-N 3.01Å | ||
| 224 | S | 42.7 | Very low | 38.2 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -58.9 | -43.2 | -169.5 | 49.1 | 0 | 0 | 0 | 0 | 114.5 | N226 Q227 E228 | S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 2.86Å; S224-Q227 PolarHBondContact O-N 3.11Å; S224-E228 PolarHBondContact O-N 3.19Å |
| 225 | E | 32.8 | Very low | 40.5 | Very low | 167 Ų | 167 | 101.3 Ų | 101.3 | 78% | 0.78 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.8 | -31.5 | -177.3 | -62 | -174.8 | 151 | 0 | 0 | 112.6 | S223 Q227 C229 | S223-E225 PolarHBondContact O-N 3.04Å; E225-Q227 VanDerWaalsContact C-N 3.31Å; E225-Q227 PolarHBondContact O-N 3.36Å; E225-C229 WeakPolarHBondContact O-CB 3.25Å |
| 226 | N | 35.5 | Very low | 42.9 | Very low | 123 Ų | 123 | 97.6 Ų | 97.6 | 66% | 0.658 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.2 | -22.9 | 175.3 | -75.1 | -30.8 | 0 | 0 | 0 | 112.7 | S223 S224 Q230 | S223-N226 PolarHBondContact O-N 3.01Å; S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 2.86Å; N226-Q230 PolarHBondContact O-N 2.97Å |
| 227 | Q | 43.6 | Very low | 45.3 | Very low | 90 Ų | 90 | 94.7 Ų | 94.7 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -88.1 | -39.2 | -172.7 | -171.1 | 151.4 | -18.3 | 0 | 0 | 113 | S224 E225 C229 Q230 T231 | S224-Q227 PolarHBondContact O-N 3.11Å; E225-Q227 VanDerWaalsContact C-N 3.31Å; E225-Q227 PolarHBondContact O-N 3.36Å; Q227-C229 PolarHBondContact O-N 3.11Å; Q227-Q230 PolarHBondContact O-N 3.12Å; Q227-T231 PolarHBondContact O-N 3.46Å; Q227-T231 PolarHBondContact O-OG1 2.99Å |
| 228 | E | 43.1 | Very low | 47.9 | Very low | 147 Ų | 147 | 86 Ų | 86 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | 167.1 | -69.2 | -168.7 | 133.9 | 0 | 0 | 110.9 | S224 Q230 T231 A232 | S224-E228 PolarHBondContact O-N 3.19Å; E228-Q230 PolarHBondContact O-N 3.1Å; E228-T231 PolarHBondContact O-N 3.5Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.92Å |
| 229 | C | 40.5 | Very low | 50.5 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 178.7 | -169.3 | 0 | 0 | 0 | 0 | 113 | E225 Q227 A233 | E225-C229 WeakPolarHBondContact O-CB 3.25Å; Q227-C229 PolarHBondContact O-N 3.11Å; C229-A233 WeakPolarHBondContact O-CB 3.33Å; C229-A233 PolarHBondContact O-N 3.49Å |
| 230 | Q | 49 | Very low | 53.1 | Low | 112 Ų | 112 | 81.8 Ų | 81.8 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -52 | 176.6 | -74.9 | -175.1 | -13 | 0 | 0 | 112 | K160 N226 Q227 E228 A232 A233 S234 | K160-Q230 VanDerWaalsContact NZ-OE1 3.08Å; N226-Q230 PolarHBondContact O-N 2.97Å; Q227-Q230 PolarHBondContact O-N 3.12Å; E228-Q230 PolarHBondContact O-N 3.1Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.58Å; Q230-A233 PolarHBondContact O-N 2.8Å; Q230-S234 PolarHBondContact O-N 2.79Å; Q230-S234 VanDerWaalsContact O-N 3.09Å; Q230-S234 PolarHBondContact O-OG 2.89Å |
| 231 | T | 53.6 | Low | 55.4 | Low | 62 Ų | 62 | 75.9 Ų | 75.9 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | -178.7 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | Q227 E228 S234 I235 | Q227-T231 PolarHBondContact O-N 3.46Å; Q227-T231 PolarHBondContact O-OG1 2.99Å; E228-T231 PolarHBondContact O-N 3.5Å; T231-S234 PolarHBondContact O-N 2.95Å; T231-I235 HydrophobicContact CG2-CD1 4Å; T231-I235 WeakPolarHBondContact O-CB 3.45Å; T231-I235 VanDerWaalsContact O-CG1 3.31Å; T231-I235 WeakPolarHBondContact O-CG1 3.24Å; T231-I235 PolarHBondContact O-N 3.24Å |
| 232 | A | 56.2 | Low | 58 | Low | 59 Ų | 59 | 72 Ų | 72 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E228 Q230 G236 | E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.92Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.58Å; A232-G236 PolarHBondContact O-N 2.76Å |
| 233 | A | 57 | Low | 60.2 | Low | 56 Ų | 56 | 72.6 Ų | 72.6 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.9 | -50.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C229 Q230 I235 G236 E237 | C229-A233 WeakPolarHBondContact O-CB 3.33Å; C229-A233 PolarHBondContact O-N 3.49Å; Q230-A233 PolarHBondContact O-N 2.8Å; A233-I235 PolarHBondContact O-N 3.31Å; A233-G236 PolarHBondContact O-N 2.8Å; A233-G236 VanDerWaalsContact O-N 3.12Å; A233-E237 PolarHBondContact O-N 2.96Å; A233-E237 VanDerWaalsContact O-N 3.07Å |
| 234 | S | 68.4 | Low | 61.9 | Low | 33 Ų | 33 | 76.4 Ų | 76.4 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 112 | Q230 T231 G236 E237 I238 | Q230-S234 PolarHBondContact O-N 2.79Å; Q230-S234 VanDerWaalsContact O-N 3.09Å; Q230-S234 PolarHBondContact O-OG 2.89Å; T231-S234 PolarHBondContact O-N 2.95Å; S234-G236 VanDerWaalsContact C-N 3.29Å; S234-G236 PolarHBondContact O-N 2.94Å; S234-E237 PolarHBondContact O-N 2.9Å; S234-E237 VanDerWaalsContact O-N 3.14Å; S234-I238 VanDerWaalsContact O-CD1 3.28Å; S234-I238 WeakPolarHBondContact O-CD1 3.4Å; S234-I238 WeakPolarHBondContact O-CG1 3.33Å; S234-I238 PolarHBondContact O-N 2.87Å |
| 235 | I | 73.4 | Confident | 63.1 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 8% | 0.077 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59 | -39.8 | 176.2 | -71.5 | 169.2 | 0 | 0 | 0 | 111.4 | T231 A233 E237 L239 Y385 L386 N389 | T231-I235 HydrophobicContact CG2-CD1 4Å; T231-I235 WeakPolarHBondContact O-CB 3.45Å; T231-I235 VanDerWaalsContact O-CG1 3.31Å; T231-I235 WeakPolarHBondContact O-CG1 3.24Å; T231-I235 PolarHBondContact O-N 3.24Å; A233-I235 PolarHBondContact O-N 3.31Å; I235-E237 PolarHBondContact O-N 3.49Å; I235-L239 HydrophobicContact CG2-CD1 4.04Å; I235-L239 WeakPolarHBondContact O-CB 3.44Å; I235-L239 VanDerWaalsContact O-CG 3.31Å; I235-L239 WeakPolarHBondContact O-CG 3.28Å; I235-L239 PolarHBondContact O-N 3.42Å; I235-Y385 HydrophobicContact CD1-CD1 4.24Å; I235-Y385 HydrophobicContact CD1-CE1 3.99Å; I235-L386 HydrophobicContact CG1-CG 4.35Å; I235-N389 HydrophobicContact CD1-CB 4.43Å; I235-N389 HydrophobicContact CG2-CB 3.77Å |
| 236 | G | 74.4 | Confident | 64.8 | Low | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A232 A233 S234 L239 E240 | A232-G236 PolarHBondContact O-N 2.76Å; A233-G236 PolarHBondContact O-N 2.8Å; A233-G236 VanDerWaalsContact O-N 3.12Å; S234-G236 VanDerWaalsContact C-N 3.29Å; S234-G236 PolarHBondContact O-N 2.94Å; G236-L239 PolarHBondContact O-N 3.25Å; G236-E240 PolarHBondContact O-N 3.31Å; G236-E240 VanDerWaalsContact O-N 3.15Å |
| 237 | E | 78.1 | Confident | 67.2 | Low | 93 Ų | 93 | 69 Ų | 69 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.6 | -43.2 | 178.3 | -64.4 | -169.7 | 122.2 | 0 | 0 | 112.5 | K111 A233 S234 I235 L239 E240 I241 | K111-E237 IonicContact NZ-OE1 3.01Å; K111-E237 PolarHBondContact NZ-OE1 3.22Å; K111-E237 IonicContact NZ-OE2 2.59Å; K111-E237 PolarHBondContact NZ-OE2 3.29Å; A233-E237 PolarHBondContact O-N 2.96Å; A233-E237 VanDerWaalsContact O-N 3.07Å; S234-E237 PolarHBondContact O-N 2.9Å; S234-E237 VanDerWaalsContact O-N 3.14Å; I235-E237 PolarHBondContact O-N 3.49Å; E237-L239 PolarHBondContact O-N 3.42Å; E237-E240 CarbonylContact O-C 3.27Å; E237-E240 PolarHBondContact O-N 3.25Å; E237-I241 WeakPolarHBondContact O-CG1 3.48Å; E237-I241 PolarHBondContact O-N 2.96Å |
| 238 | I | 80.8 | Confident | 69.7 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 173.3 | -62.1 | 153.5 | 0 | 0 | 0 | 110.4 | L49 F99 I157 S234 I241 L242 L390 | L49-I238 HydrophobicContact CD2-CG2 4.22Å; F99-I238 HydrophobicContact CE1-CD1 3.69Å; F99-I238 HydrophobicContact CZ-CD1 3.58Å; F99-I238 HydrophobicContact CZ-CG1 4.26Å; I157-I238 HydrophobicContact CD1-CD1 4.01Å; I157-I238 HydrophobicContact CD1-CG1 4.13Å; S234-I238 VanDerWaalsContact O-CD1 3.28Å; S234-I238 WeakPolarHBondContact O-CD1 3.4Å; S234-I238 WeakPolarHBondContact O-CG1 3.33Å; S234-I238 PolarHBondContact O-N 2.87Å; I238-I241 WeakPolarHBondContact O-CB 3.41Å; I238-I241 PolarHBondContact O-N 3.16Å; I238-L242 HydrophobicContact CG2-CD1 3.97Å; I238-L242 HydrophobicContact CG2-CG 4.31Å; I238-L242 WeakPolarHBondContact O-CB 3.18Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 2.8Å; I238-L390 HydrophobicContact CB-CD2 4.31Å; I238-L390 HydrophobicContact CG2-CD1 3.94Å; I238-L390 HydrophobicContact CG2-CD2 3.69Å |
| 239 | L | 81.2 | Confident | 72.3 | Confident | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 174 | -79.2 | 171.6 | 0 | 0 | 0 | 113 | I235 G236 E237 I241 K243 L390 | I235-L239 HydrophobicContact CG2-CD1 4.04Å; I235-L239 WeakPolarHBondContact O-CB 3.44Å; I235-L239 VanDerWaalsContact O-CG 3.31Å; I235-L239 WeakPolarHBondContact O-CG 3.28Å; I235-L239 PolarHBondContact O-N 3.42Å; G236-L239 PolarHBondContact O-N 3.25Å; E237-L239 PolarHBondContact O-N 3.42Å; L239-I241 VanDerWaalsContact C-N 3.32Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 WeakPolarHBondContact O-CD 3.31Å; L239-K243 WeakPolarHBondContact O-CG 3.18Å; L239-K243 PolarHBondContact O-N 2.96Å; L239-L390 HydrophobicContact CD2-CD2 4.05Å; L239-L390 HydrophobicContact CG-CD2 4.06Å |
| 240 | E | 80.8 | Confident | 75.1 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71 | -25.9 | 172.6 | -68.6 | -54 | 135.8 | 0 | 0 | 113.3 | G236 E237 K243 K244 | G236-E240 PolarHBondContact O-N 3.31Å; G236-E240 VanDerWaalsContact O-N 3.15Å; E237-E240 CarbonylContact O-C 3.27Å; E237-E240 PolarHBondContact O-N 3.25Å; E240-K243 WeakPolarHBondContact OE1-CD 3.32Å; E240-K243 IonicContact OE1-NZ 2.91Å; E240-K243 PolarHBondContact OE1-NZ 3.39Å; E240-K244 VanDerWaalsContact O-CD 3.32Å; E240-K244 WeakPolarHBondContact O-CD 3.2Å; E240-K244 WeakPolarHBondContact O-CE 3.42Å; E240-K244 VanDerWaalsContact O-CG 3.3Å; E240-K244 WeakPolarHBondContact O-CG 3.39Å |
| 241 | I | 79.1 | Confident | 77.4 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -55.1 | 169.9 | -68.6 | 161.8 | 0 | 0 | 0 | 109.7 | H95 E237 I238 L239 K243 K244 G245 | H95-I241 WeakPolarHBondContact CE1-CD1 3.44Å; H95-I241 VanDerWaalsContact CE1-CG1 3.41Å; H95-I241 WeakPolarHBondContact CE1-CG1 3.47Å; H95-I241 WeakPolarHBondContact ND1-CG2 3.36Å; E237-I241 WeakPolarHBondContact O-CG1 3.48Å; E237-I241 PolarHBondContact O-N 2.96Å; I238-I241 WeakPolarHBondContact O-CB 3.41Å; I238-I241 PolarHBondContact O-N 3.16Å; L239-I241 VanDerWaalsContact C-N 3.32Å; I241-K243 VanDerWaalsContact C-N 3.26Å; I241-K243 PolarHBondContact O-N 3.42Å; I241-K244 WeakPolarHBondContact O-CB 3.37Å; I241-K244 PolarHBondContact O-N 3.45Å; I241-G245 PolarHBondContact O-N 2.88Å; I241-G245 VanDerWaalsContact O-N 3.12Å |
| 242 | L | 82.3 | Confident | 79.6 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -22.7 | -177.8 | -66.1 | 178.6 | 0 | 0 | 0 | 113.6 | L49 I238 F248 L390 P391 | L49-L242 HydrophobicContact CD1-CD2 4Å; L49-L242 HydrophobicContact CD2-CD1 4.23Å; I238-L242 HydrophobicContact CG2-CD1 3.97Å; I238-L242 HydrophobicContact CG2-CG 4.31Å; I238-L242 WeakPolarHBondContact O-CB 3.18Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 2.8Å; L242-F248 HydrophobicContact CD1-CD1 4.3Å; L242-F248 HydrophobicContact CD1-CE1 4.17Å; L242-F248 HydrophobicContact CD1-CZ 4.33Å; L242-F248 HydrophobicContact CD2-CB 3.59Å; L242-F248 HydrophobicContact CD2-CD1 3.73Å; L242-F248 HydrophobicContact CD2-CD2 4.18Å; L242-F248 HydrophobicContact CD2-CE1 4.42Å; L242-F248 HydrophobicContact CD2-CG 3.59Å; L242-L390 HydrophobicContact CD1-CB 4.33Å; L242-L390 HydrophobicContact CD1-CD1 4.1Å; L242-L390 HydrophobicContact CD1-CD2 4.19Å; L242-L390 HydrophobicContact CD1-CG 4.43Å; L242-P391 HydrophobicContact CB-CG 4.13Å; L242-P391 HydrophobicContact CD1-CG 3.95Å |
| 243 | K | 75.3 | Confident | 81.6 | Confident | 130 Ų | 130 | 43.2 Ų | 43.2 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -71.6 | -26.7 | 169.4 | -76.4 | 161.6 | -167.2 | 157.4 | 0 | 113.9 | L239 E240 I241 | L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 WeakPolarHBondContact O-CD 3.31Å; L239-K243 WeakPolarHBondContact O-CG 3.18Å; L239-K243 PolarHBondContact O-N 2.96Å; E240-K243 WeakPolarHBondContact OE1-CD 3.32Å; E240-K243 IonicContact OE1-NZ 2.91Å; E240-K243 PolarHBondContact OE1-NZ 3.39Å; I241-K243 VanDerWaalsContact C-N 3.26Å; I241-K243 PolarHBondContact O-N 3.42Å |
| 244 | K | 71.8 | Confident | 83.6 | Confident | 164 Ų | 164 | 40.6 Ų | 40.6 | 71% | 0.713 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -81.2 | -36.5 | 174.1 | -63.8 | 160.3 | -170.2 | 168.6 | 0 | 110.9 | E240 I241 | E240-K244 VanDerWaalsContact O-CD 3.32Å; E240-K244 WeakPolarHBondContact O-CD 3.2Å; E240-K244 WeakPolarHBondContact O-CE 3.42Å; E240-K244 VanDerWaalsContact O-CG 3.3Å; E240-K244 WeakPolarHBondContact O-CG 3.39Å; I241-K244 WeakPolarHBondContact O-CB 3.37Å; I241-K244 PolarHBondContact O-N 3.45Å |
| 245 | G | 67.2 | Low | 85 | Confident | 19 Ų | 19 | 39 Ų | 39 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | trans | -63 | 165.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I241 | I241-G245 PolarHBondContact O-N 2.88Å; I241-G245 VanDerWaalsContact O-N 3.12Å | ||
| 246 | K | 70.5 | Confident | 86.2 | Confident | 173 Ų | 173 | 38.3 Ų | 38.3 | 75% | 0.752 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -110.9 | -17.4 | 172.1 | -68.9 | 175.7 | -174.6 | 159.3 | 0 | 113.5 | L11 | L11-K246 HydrophobicContact CD1-CB 4.45Š|
| 247 | A | 85.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | trans | -164.3 | 152.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | L11 L41 P42 T394 | L11-A247 HydrophobicContact CD1-CB 4.35Å; L41-A247 HydrophobicContact CD2-CB 3.86Å; P42-A247 HydrophobicContact CG-CB 4.46Å; A247-T394 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 248 | F | 95.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.4 | 170.2 | 77.3 | -80.4 | 0 | 0 | 0 | 110.1 | S47 L49 L242 L250 P391 N392 P393 T394 | S47-F248 WeakPolarHBondContact O-CA 3.48Å; S47-F248 VanDerWaalsContact O-CB 3.23Å; S47-F248 WeakPolarHBondContact O-CB 3.33Å; L49-F248 HydrophobicContact CB-CD2 4.38Å; L49-F248 HydrophobicContact CD1-CD2 4.02Å; L49-F248 HydrophobicContact CD2-CD2 4.04Å; L49-F248 HydrophobicContact CD2-CE2 3.91Å; L49-F248 HydrophobicContact CG-CD2 4.37Å; L242-F248 HydrophobicContact CD1-CD1 4.3Å; L242-F248 HydrophobicContact CD1-CE1 4.17Å; L242-F248 HydrophobicContact CD1-CZ 4.33Å; L242-F248 HydrophobicContact CD2-CB 3.59Å; L242-F248 HydrophobicContact CD2-CD1 3.73Å; L242-F248 HydrophobicContact CD2-CD2 4.18Å; L242-F248 HydrophobicContact CD2-CE1 4.42Å; L242-F248 HydrophobicContact CD2-CG 3.59Å; F248-L250 HydrophobicContact CE2-CB 4.19Å; F248-P391 HydrophobicContact CE1-CG 4.02Å; F248-P391 VanDerWaalsContact CE1-O 3.22Å; F248-P391 WeakPolarHBondContact CE1-O 3.37Å; F248-P391 WeakPolarHBondContact CZ-O 3.17Å; F248-N392 WeakPolarHBondContact CE1-O 3.47Å; F248-P393 HydrophobicContact CD2-CB 4.3Å; F248-P393 HydrophobicContact CE1-CB 4.21Å; F248-P393 HydrophobicContact CE2-CB 3.75Å; F248-P393 VanDerWaalsContact CZ-CA 3.5Å; F248-P393 HydrophobicContact CZ-CB 3.7Å; F248-P393 HydrophobicContact CZ-CG 4.35Å; F248-T394 WeakPolarHBondContact O-CB 3.32Å; F248-T394 PolarHBondContact O-N 2.88Å; F248-T394 PolarHBondContact O-OG1 3.34Å |
| 249 | V | 97.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.2 | 167.5 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | I32 L41 I46 S47 F48 L49 L395 | I32-V249 HydrophobicContact CD1-CG1 4.14Å; I32-V249 HydrophobicContact CG1-CG1 4.4Å; I32-V249 HydrophobicContact CG1-CG2 4.44Å; I32-V249 HydrophobicContact CG2-CG2 4.34Å; L41-V249 HydrophobicContact CD1-CG2 3.76Å; L41-V249 HydrophobicContact CD2-CG2 4.15Å; I46-V249 HydrophobicContact CG2-CG2 4.28Å; S47-V249 PolarHBondContact O-N 3.12Å; S47-V249 VanDerWaalsContact O-N 3.1Å; F48-V249 HydrophobicContact CD2-CB 3.88Å; F48-V249 HydrophobicContact CD2-CG1 4.01Å; F48-V249 HydrophobicContact CE2-CB 4.22Å; F48-V249 HydrophobicContact CE2-CG1 3.81Å; L49-V249 PolarHBondContact N-O 3.14Å; V249-L395 HydrophobicContact CG1-CD1 3.75Å; V249-L395 HydrophobicContact CG1-CG 4.37Å; V249-L395 HydrophobicContact CG2-CD1 4.31Å; V249-L395 HydrophobicContact CG2-CD2 4.37Å; V249-L395 HydrophobicContact CG2-CG 4.17Å |
| 250 | L | 98.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.7 | 165.1 | 172.5 | 62.5 | 0 | 0 | 0 | 107.6 | L49 F51 F248 I252 L387 P393 L395 V396 T397 L423 | L49-L250 HydrophobicContact CB-CD1 4.46Å; F51-L250 HydrophobicContact CD2-CD1 3.79Å; F51-L250 HydrophobicContact CE2-CD1 3.63Å; F248-L250 HydrophobicContact CE2-CB 4.19Å; L250-I252 HydrophobicContact CD1-CD1 4.43Å; L250-I252 HydrophobicContact CD1-CG1 4.19Å; L250-I252 HydrophobicContact CD2-CD1 4.23Å; L250-I252 HydrophobicContact CG-CD1 4.23Å; L250-I252 HydrophobicContact CG-CG1 4.21Å; L250-L387 HydrophobicContact CD1-CD2 3.8Å; L250-L387 HydrophobicContact CD2-CD1 3.73Å; L250-L387 HydrophobicContact CD2-CD2 3.89Å; L250-L387 HydrophobicContact CD2-CG 4.48Å; L250-P393 HydrophobicContact CB-CB 3.74Å; L250-P393 HydrophobicContact CB-CG 4.02Å; L250-P393 HydrophobicContact CD2-CG 4.2Å; L250-L395 PolarHBondContact N-O 3.04Å; L250-V396 HydrophobicContact CB-CG1 4.47Å; L250-V396 HydrophobicContact CB-CG2 4.39Å; L250-V396 HydrophobicContact CD2-CG1 4.28Å; L250-V396 HydrophobicContact CD2-CG2 4.22Å; L250-V396 HydrophobicContact CG-CG1 4.19Å; L250-V396 CarbonylContact O-C 3.53Å; L250-V396 VanDerWaalsContact O-CA 3.24Å; L250-V396 WeakPolarHBondContact O-CA 3.25Å; L250-T397 PolarHBondContact O-N 3.36Å; L250-T397 PolarHBondContact O-OG1 3.4Å; L250-L423 HydrophobicContact CD2-CD2 4.14Å |
| 251 | D | 98.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.9 | -175.9 | -171.1 | 67.8 | 0 | 0 | 0 | 109 | H25 F48 L49 H50 F51 T397 | H25-D251 IonicContact CD2-OD2 3.49Å; H25-D251 IonicContact CE1-OD2 3.9Å; H25-D251 IonicContact NE2-OD1 3.62Å; H25-D251 IonicContact NE2-OD2 3.78Å; H25-D251 PolarHBondContact NE2-OD2 3.33Å; F48-D251 HydrophobicContact CE1-CB 4.27Å; F48-D251 HydrophobicContact CE2-CB 3.69Å; F48-D251 HydrophobicContact CZ-CB 3.39Å; L49-D251 PolarHBondContact O-N 3.02Å; H50-D251 WeakPolarHBondContact CA-O 3.21Å; H50-D251 HydrophobicContact CB-CB 4.47Å; H50-D251 IonicContact CE1-OD2 3.45Å; H50-D251 IonicContact CG-OD2 3.92Å; H50-D251 IonicContact ND1-OD2 3.44Å; H50-D251 PolarHBondContact ND1-OD2 2.91Å; F51-D251 PolarHBondContact N-O 3.24Å; D251-T397 WeakPolarHBondContact CA-O 3.49Å; D251-T397 VanDerWaalsContact OD1-CB 3.23Å; D251-T397 WeakPolarHBondContact OD1-CB 3.48Å; D251-T397 PolarHBondContact OD1-OG1 3.46Å |
| 252 | I | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 107.9 | -170.3 | -54.4 | 177.6 | 0 | 0 | 0 | 108.8 | F51 L250 F257 T397 I398 A399 V419 M422 | F51-I252 HydrophobicContact CB-CB 4.48Å; F51-I252 HydrophobicContact CB-CG1 4.33Å; F51-I252 HydrophobicContact CB-CG2 4.31Å; F51-I252 HydrophobicContact CD2-CG1 4.26Å; F51-I252 WeakPolarHBondContact O-CA 3.35Å; L250-I252 HydrophobicContact CD1-CD1 4.43Å; L250-I252 HydrophobicContact CD1-CG1 4.19Å; L250-I252 HydrophobicContact CD2-CD1 4.23Å; L250-I252 HydrophobicContact CG-CD1 4.23Å; L250-I252 HydrophobicContact CG-CG1 4.21Å; I252-F257 HydrophobicContact CG2-CE2 3.77Å; I252-F257 HydrophobicContact CG2-CZ 4.31Å; I252-T397 PolarHBondContact N-O 3.09Å; I252-T397 VanDerWaalsContact N-O 3.14Å; I252-I398 VanDerWaalsContact O-CA 3.24Å; I252-I398 WeakPolarHBondContact O-CA 3.39Å; I252-A399 PolarHBondContact O-N 3.44Å; I252-V419 HydrophobicContact CD1-CG1 4.13Å; I252-V419 HydrophobicContact CG2-CG1 4.38Å; I252-M422 HydrophobicContact CD1-CE 4.4Å |
| 253 | D | 98.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 148.7 | 158.1 | -157.7 | -52 | 0 | 0 | 0 | 109.2 | H25 F51 D52 D255 F256 A399 S401 | H25-D253 IonicContact CE1-OD2 2.99Å; H25-D253 IonicContact ND1-OD2 3.75Å; H25-D253 PolarHBondContact ND1-OD2 2.77Å; F51-D253 PolarHBondContact O-N 3.2Å; D52-D253 WeakPolarHBondContact OD2-CB 3.44Å; D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 WeakPolarHBondContact OD1-CB 3.35Å; D253-D255 PolarHBondContact OD1-N 2.97Å; D253-F256 WeakPolarHBondContact O-CB 3.42Å; D253-A399 HydrophobicContact CB-CB 4.44Å; D253-S401 WeakPolarHBondContact OD2-CB 3.48Å; D253-S401 PolarHBondContact OD2-OG 3Å |
| 254 | L | 98.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -75.2 | -21.4 | 171.1 | -56.9 | -177.6 | 0 | 0 | 0 | 112.1 | F256 F257 I398 A399 R400 V412 I415 Q416 V419 | L254-F256 PolarHBondContact O-N 3.48Å; L254-F257 WeakPolarHBondContact O-CD2 3.34Å; L254-F257 PolarHBondContact O-N 3.5Å; L254-F257 VanDerWaalsContact O-N 3.11Å; L254-I398 HydrophobicContact CD1-CG2 4.49Å; L254-I398 HydrophobicContact CD2-CG2 3.83Å; L254-I398 HydrophobicContact CG-CG2 4.06Å; L254-A399 WeakPolarHBondContact CG-O 3.11Å; L254-A399 PolarHBondContact N-O 2.95Å; L254-R400 HydrophobicContact CD1-CB 4.35Å; L254-R400 HydrophobicContact CD1-CG 3.99Å; L254-V412 HydrophobicContact CD1-CG2 3.66Å; L254-I415 HydrophobicContact CB-CB 4.49Å; L254-I415 HydrophobicContact CB-CG2 3.97Å; L254-I415 HydrophobicContact CD2-CG2 4Å; L254-I415 HydrophobicContact CG-CG2 4.46Å; L254-Q416 HydrophobicContact CD1-CB 3.63Å; L254-Q416 HydrophobicContact CD1-CG 4.18Å; L254-V419 HydrophobicContact CD2-CB 4.28Å; L254-V419 HydrophobicContact CD2-CG2 3.85Å |
| 255 | D | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -61.6 | -26.9 | 175.6 | 109.2 | -19.2 | 0 | 0 | 0 | 112.6 | S53 H54 D253 F257 S258 V259 C407 | S53-D255 WeakPolarHBondContact CA-OD1 3.2Å; S53-D255 WeakPolarHBondContact CB-OD1 3.16Å; S53-D255 WeakPolarHBondContact CB-OD2 3.4Å; S53-D255 PolarHBondContact N-OD1 2.87Å; S53-D255 PolarHBondContact OG-O 3.37Å; S53-D255 VanDerWaalsContact OG-O 3.12Å; S53-D255 PolarHBondContact OG-OD1 3.29Å; H54-D255 IonicContact CE1-OD2 3.95Å; H54-D255 PolarHBondContact CE1-OD2 3.03Å; H54-D255 IonicContact ND1-OD2 3.92Å; H54-D255 PolarHBondContact ND1-OD2 3.34Å; D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 WeakPolarHBondContact OD1-CB 3.35Å; D253-D255 PolarHBondContact OD1-N 2.97Å; D255-F257 PolarHBondContact O-N 3.04Å; D255-S258 WeakPolarHBondContact CA-O 3.38Å; D255-S258 CarbonylContact O-C 3.58Å; D255-S258 PolarHBondContact O-N 2.98Å; D255-V259 HydrophobicContact CB-CB 4.24Å; D255-V259 HydrophobicContact CB-CG2 4.18Å; D255-V259 WeakPolarHBondContact OD2-CG2 3.43Å; D255-C407 HydrophobicContact CB-CB 4.05Å |
| 256 | F | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -53 | -28.8 | 174.9 | 170.9 | -88.5 | 0 | 0 | 0 | 111.8 | F51 F99 P101 W103 V159 D253 L254 L379 V383 | F51-F256 HydrophobicContact CB-CD2 4.04Å; F51-F256 HydrophobicContact CB-CE2 4.44Å; F51-F256 HydrophobicContact CB-CG 4.11Å; F51-F256 HydrophobicContact CD1-CD2 4.41Å; F51-F256 HydrophobicContact CD1-CE1 4.32Å; F51-F256 AromaticContact CD1-CE2 3.97Å; F51-F256 HydrophobicContact CD1-CE2 3.97Å; F51-F256 AromaticContact CD1-CZ 3.92Å; F51-F256 HydrophobicContact CD1-CZ 3.92Å; F99-F256 VanDerWaalsContact O-CD2 3.31Å; F99-F256 WeakPolarHBondContact O-CD2 3.28Å; F99-F256 WeakPolarHBondContact O-CE2 3.43Å; P101-F256 HydrophobicContact CB-CD2 4.43Å; P101-F256 HydrophobicContact CB-CE2 4.3Å; P101-F256 HydrophobicContact CG-CD2 4.3Å; W103-F256 VanDerWaalsContact CZ2-O 3.31Å; W103-F256 WeakPolarHBondContact CZ2-O 3.48Å; V159-F256 HydrophobicContact CB-CE2 4.17Å; V159-F256 HydrophobicContact CB-CZ 3.81Å; V159-F256 HydrophobicContact CG1-CZ 3.93Å; V159-F256 HydrophobicContact CG2-CE2 4.26Å; V159-F256 HydrophobicContact CG2-CZ 4.12Å; D253-F256 WeakPolarHBondContact O-CB 3.42Å; L254-F256 PolarHBondContact O-N 3.48Å; F256-L379 HydrophobicContact CE1-CB 4.36Å; F256-L379 HydrophobicContact CE1-CD2 4.15Å; F256-L379 HydrophobicContact CZ-CD2 4.26Å; F256-V383 HydrophobicContact CD1-CG2 4.3Å; F256-V383 HydrophobicContact CE1-CG2 3.44Å; F256-V383 VanDerWaalsContact CE1-CG2 3.44Å; F256-V383 HydrophobicContact CZ-CG2 3.91Å |
| 257 | F | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -92.2 | -20.6 | 179.6 | -56 | -84.4 | 0 | 0 | 0 | 113.1 | I252 L254 D255 S371 I376 L379 I380 V383 I415 V419 | I252-F257 HydrophobicContact CG2-CE2 3.77Å; I252-F257 HydrophobicContact CG2-CZ 4.31Å; L254-F257 WeakPolarHBondContact O-CD2 3.34Å; L254-F257 PolarHBondContact O-N 3.5Å; L254-F257 VanDerWaalsContact O-N 3.11Å; D255-F257 PolarHBondContact O-N 3.04Å; F257-S371 WeakPolarHBondContact O-CB 3.45Å; F257-S371 PolarHBondContact O-OG 3.32Å; F257-I376 HydrophobicContact CB-CG1 4.45Å; F257-I376 HydrophobicContact CB-CG2 4.38Å; F257-I376 WeakPolarHBondContact O-CG1 3.45Å; F257-L379 HydrophobicContact CD1-CB 3.7Å; F257-L379 HydrophobicContact CE1-CB 4.18Å; F257-I380 HydrophobicContact CD1-CD1 3.79Å; F257-I380 HydrophobicContact CD1-CG1 3.81Å; F257-I380 HydrophobicContact CE1-CB 4.43Å; F257-I380 HydrophobicContact CE1-CD1 3.4Å; F257-I380 HydrophobicContact CE1-CG1 3.73Å; F257-I380 HydrophobicContact CE2-CD1 4.43Å; F257-I380 HydrophobicContact CG-CD1 4.48Å; F257-I380 HydrophobicContact CZ-CD1 3.76Å; F257-V383 HydrophobicContact CE1-CG2 4.03Å; F257-V383 HydrophobicContact CZ-CG2 4.13Å; F257-I415 HydrophobicContact CB-CD1 4.31Å; F257-I415 HydrophobicContact CB-CG1 4.46Å; F257-I415 HydrophobicContact CB-CG2 3.65Å; F257-I415 HydrophobicContact CD2-CG2 3.5Å; F257-I415 VanDerWaalsContact CD2-CG2 3.5Å; F257-I415 HydrophobicContact CE2-CG2 4.38Å; F257-I415 HydrophobicContact CG-CG2 3.71Å; F257-V419 HydrophobicContact CD2-CG2 4.14Å; F257-V419 HydrophobicContact CE2-CG2 3.49Å; F257-V419 VanDerWaalsContact CE2-CG2 3.49Å; F257-V419 HydrophobicContact CZ-CG2 3.74Å |
| 258 | S | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -172.4 | 121.4 | 178.1 | -167.4 | 0 | 0 | 0 | 0 | 110 | D255 S371 P408 Q411 | D255-S258 WeakPolarHBondContact CA-O 3.38Å; D255-S258 CarbonylContact O-C 3.58Å; D255-S258 PolarHBondContact O-N 2.98Å; S258-S371 PolarHBondContact OG-N 3Å; S258-P408 WeakPolarHBondContact O-CD 3.41Å; S258-Q411 PolarHBondContact OG-OE1 3.42Å |
| 259 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 145.4 | -172.9 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | W103 D255 P367 H369 Y406 | W103-V259 HydrophobicContact CG-CG1 4.43Å; D255-V259 HydrophobicContact CB-CB 4.24Å; D255-V259 HydrophobicContact CB-CG2 4.18Å; D255-V259 WeakPolarHBondContact OD2-CG2 3.43Å; V259-P367 HydrophobicContact CG1-CB 3.64Å; V259-P367 HydrophobicContact CG2-CB 4.06Å; V259-H369 HydrophobicContact CG1-CB 4.47Å; V259-H369 PolarHBondContact N-O 2.9Å; V259-H369 CarbonylContact O-C 3.6Å; V259-H369 PolarHBondContact O-N 2.76Å; V259-Y406 CarbonylContact C-O 3.55Å; V259-Y406 WeakPolarHBondContact CA-O 3.36Å |
| 260 | K | 96.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 10% | 0.096 | 14% | 0.144 | C | C | . | . | trans | -128.5 | 108.5 | 179.8 | 175.3 | -176.6 | 168.6 | -175.4 | 0 | 109.4 | P262 E265 I370 D405 Y406 P408 | K260-P262 WeakPolarHBondContact O-CD 3.24Å; K260-P262 VanDerWaalsContact O-N 3.17Å; K260-E265 WeakPolarHBondContact CE-OE1 3.47Å; K260-E265 WeakPolarHBondContact CE-OE2 3.49Å; K260-E265 IonicContact NZ-OE1 3.76Å; K260-E265 IonicContact NZ-OE2 3.5Å; K260-E265 PolarHBondContact NZ-OE2 3.06Å; K260-I370 HydrophobicContact CB-CD1 3.7Å; K260-I370 HydrophobicContact CG-CD1 4.21Å; K260-D405 WeakPolarHBondContact CB-O 3.35Å; K260-D405 WeakPolarHBondContact CD-O 3.3Å; K260-D405 IonicContact NZ-OD1 3.33Å; K260-D405 PolarHBondContact NZ-OD1 2.61Å; K260-Y406 PolarHBondContact N-O 3.26Å; K260-P408 HydrophobicContact CB-CG 4.31Å | ||
| 261 | N | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -59.4 | 114.7 | 156.9 | 169.8 | -30.7 | 0 | 0 | 0 | 108 | F263 K264 Y272 L366 P367 H368 | N261-F263 WeakPolarHBondContact OD1-CB 3.33Å; N261-F263 PolarHBondContact OD1-N 2.88Å; N261-F263 VanDerWaalsContact OD1-N 3.15Å; N261-K264 HydrophobicContact CB-CD 4.05Å; N261-K264 HydrophobicContact CB-CG 4.4Å; N261-K264 WeakPolarHBondContact ND2-CE 3.18Å; N261-K264 PolarHBondContact OD1-N 3.03Å; N261-Y272 PolarHBondContact ND2-OH 3.49Å; N261-L366 HydrophobicContact CB-CB 4.1Å; N261-L366 PolarHBondContact ND2-O 2.96Å; N261-P367 VanDerWaalsContact CB-O 3.27Å; N261-P367 WeakPolarHBondContact CB-O 3.47Å; N261-P367 PolarHBondContact N-O 3.15Å; N261-H368 HydrophobicContact CB-CB 3.91Å; N261-H368 PolarHBondContact N-ND1 3.17Å; N261-H368 PolarHBondContact O-ND1 3.11Å | ||
| 262 | P | 93.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -77.4 | -31.9 | -172.3 | 31.3 | -35.7 | 0 | 0 | 0 | 112 | K260 K264 E265 M266 D405 Y406 | K260-P262 WeakPolarHBondContact O-CD 3.24Å; K260-P262 VanDerWaalsContact O-N 3.17Å; P262-K264 PolarHBondContact O-N 3.24Å; P262-K264 VanDerWaalsContact O-N 3.13Å; P262-E265 PolarHBondContact O-N 3.29Å; P262-M266 HydrophobicContact CB-CE 3.93Å; P262-M266 HydrophobicContact CG-CE 4.33Å; P262-M266 PolarHBondContact O-N 2.97Å; P262-D405 HydrophobicContact CB-CB 3.88Å; P262-Y406 HydrophobicContact CG-CE1 4.48Å |
| 263 | F | 94.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -27.4 | -179.6 | -51.9 | -68.6 | 0 | 0 | 0 | 113.1 | N261 E265 M266 F267 Y272 M353 Q356 A357 T360 L366 | N261-F263 WeakPolarHBondContact OD1-CB 3.33Å; N261-F263 PolarHBondContact OD1-N 2.88Å; N261-F263 VanDerWaalsContact OD1-N 3.15Å; F263-E265 PolarHBondContact O-N 3.11Å; F263-M266 HydrophobicContact CD1-CE 4.03Å; F263-M266 HydrophobicContact CD1-SD 4.07Å; F263-M266 HydrophobicContact CE1-CE 4.34Å; F263-M266 PolarHBondContact O-N 3.26Å; F263-F267 HydrophobicContact CB-CD2 4.23Å; F263-F267 HydrophobicContact CD1-CE2 4.35Å; F263-F267 WeakPolarHBondContact O-CD2 3.19Å; F263-F267 PolarHBondContact O-N 3.18Å; F263-Y272 HydrophobicContact CB-CE2 4.04Å; F263-M353 HydrophobicContact CD1-SD 4.34Å; F263-M353 HydrophobicContact CE1-SD 3.76Å; F263-Q356 HydrophobicContact CE1-CB 4.42Å; F263-Q356 HydrophobicContact CZ-CB 4.46Å; F263-A357 HydrophobicContact CB-CB 4.07Å; F263-A357 HydrophobicContact CD1-CB 3.43Å; F263-A357 VanDerWaalsContact CD1-CB 3.43Å; F263-A357 HydrophobicContact CE1-CB 3.95Å; F263-A357 HydrophobicContact CG-CB 3.8Å; F263-T360 HydrophobicContact CE2-CG2 4.11Å; F263-T360 WeakPolarHBondContact CE2-OG1 3.06Å; F263-L366 HydrophobicContact CD2-CD1 3.92Å; F263-L366 HydrophobicContact CE2-CD1 3.68Å |
| 264 | K | 89.9 | Confident | 95.3 | Very high | 67 Ų | 67 | 36.5 Ų | 36.5 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66 | -16.1 | 174.2 | -75.2 | 176.4 | -178.9 | 166.3 | 0 | 114.8 | N261 P262 E365 H368 | N261-K264 HydrophobicContact CB-CD 4.05Å; N261-K264 HydrophobicContact CB-CG 4.4Å; N261-K264 WeakPolarHBondContact ND2-CE 3.18Å; N261-K264 PolarHBondContact OD1-N 3.03Å; P262-K264 PolarHBondContact O-N 3.24Å; P262-K264 VanDerWaalsContact O-N 3.13Å; K264-E365 WeakPolarHBondContact CE-OE1 3.32Å; K264-E365 WeakPolarHBondContact CE-OE2 3.41Å; K264-E365 IonicContact NZ-OE1 2.75Å; K264-E365 PolarHBondContact NZ-OE1 3.38Å; K264-E365 IonicContact NZ-OE2 2.76Å; K264-E365 PolarHBondContact NZ-OE2 3.18Å; K264-H368 HydrophobicContact CD-CB 4.21Å |
| 265 | E | 88.4 | Confident | 95.2 | Very high | 135 Ų | 135 | 36.5 Ų | 36.5 | 63% | 0.631 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -96.4 | -29.4 | 170.2 | -67.6 | -173.8 | 172.9 | 0 | 0 | 112.4 | K260 P262 F263 | K260-E265 WeakPolarHBondContact CE-OE1 3.47Å; K260-E265 WeakPolarHBondContact CE-OE2 3.49Å; K260-E265 IonicContact NZ-OE1 3.76Å; K260-E265 IonicContact NZ-OE2 3.5Å; K260-E265 PolarHBondContact NZ-OE2 3.06Å; P262-E265 PolarHBondContact O-N 3.29Å; F263-E265 PolarHBondContact O-N 3.11Å |
| 266 | M | 92.3 | Very high | 95 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.3 | -46 | 177.9 | -53.9 | -174.1 | -156.4 | 0 | 0 | 112.2 | P262 F263 R345 M353 | P262-M266 HydrophobicContact CB-CE 3.93Å; P262-M266 HydrophobicContact CG-CE 4.33Å; P262-M266 PolarHBondContact O-N 2.97Å; F263-M266 HydrophobicContact CD1-CE 4.03Å; F263-M266 HydrophobicContact CD1-SD 4.07Å; F263-M266 HydrophobicContact CE1-CE 4.34Å; F263-M266 PolarHBondContact O-N 3.26Å; M266-R345 PolarHBondContact O-NH2 2.68Å; M266-M353 HydrophobicContact CE-SD 3.96Å; M266-M353 HydrophobicContact SD-CG 3.65Å; M266-M353 HydrophobicContact SD-SD 3.79Å |
| 267 | F | 94.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 45 Ų | 45 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -106.3 | 146.4 | -170.6 | -61.6 | -70.4 | 0 | 0 | 0 | 113 | F263 E271 L342 V354 A357 | F263-F267 HydrophobicContact CB-CD2 4.23Å; F263-F267 HydrophobicContact CD1-CE2 4.35Å; F263-F267 WeakPolarHBondContact O-CD2 3.19Å; F263-F267 PolarHBondContact O-N 3.18Å; F267-E271 HydrophobicContact CB-CB 4.2Å; F267-E271 HydrophobicContact CD1-CB 4.43Å; F267-L342 HydrophobicContact CD1-CD2 4.04Å; F267-L342 HydrophobicContact CE1-CD2 3.85Å; F267-V354 HydrophobicContact CE1-CG2 3.6Å; F267-V354 HydrophobicContact CZ-CB 4.39Å; F267-V354 HydrophobicContact CZ-CG2 3.71Å; F267-A357 HydrophobicContact CD2-CB 3.89Å; F267-A357 HydrophobicContact CE2-CB 3.42Å; F267-A357 VanDerWaalsContact CE2-CB 3.42Å; F267-A357 HydrophobicContact CZ-CB 4.23Å |
| 268 | T | 94.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | trans | -69.8 | 160 | 171.7 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | E270 E271 Y272 | T268-E270 PolarHBondContact O-N 2.79Å; T268-E270 VanDerWaalsContact O-N 3.14Å; T268-E271 WeakPolarHBondContact CB-OE2 3.48Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.35Å; T268-E271 PolarHBondContact N-OE2 2.87Å; T268-E271 PolarHBondContact O-N 3.28Å; T268-E271 WeakPolarHBondContact OG1-CB 3.49Å; T268-E271 VanDerWaalsContact OG1-CG 3.25Å; T268-E271 WeakPolarHBondContact OG1-CG 3.38Å; T268-E271 PolarHBondContact OG1-N 3.02Å; T268-E271 PolarHBondContact OG1-OE2 3.03Å; T268-Y272 PolarHBondContact O-N 2.77Å | ||
| 269 | Q | 93.9 | Very high | 94.7 | Very high | 139 Ų | 139 | 45.2 Ų | 45.2 | 65% | 0.65 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.6 | -22.6 | 177.5 | -148.6 | -163.5 | 45.7 | 0 | 0 | 112.5 | K273 | Q269-K273 WeakPolarHBondContact O-CD 3.5Å; Q269-K273 WeakPolarHBondContact O-CE 3.24Å; Q269-K273 WeakPolarHBondContact O-CG 3.38Å; Q269-K273 PolarHBondContact O-N 3.11Å; Q269-K273 PolarHBondContact O-NZ 3.45Å |
| 270 | E | 95.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -78.1 | -46.6 | 175.1 | -73.5 | 53.9 | -118.2 | 0 | 0 | 111.2 | T268 K273 I274 | T268-E270 PolarHBondContact O-N 2.79Å; T268-E270 VanDerWaalsContact O-N 3.14Å; E270-K273 PolarHBondContact O-N 3.33Å; E270-K273 IonicContact OE1-NZ 3.67Å; E270-K273 PolarHBondContact OE1-NZ 3.5Å; E270-I274 WeakPolarHBondContact O-CG1 2.93Å; E270-I274 PolarHBondContact O-N 3.33Å |
| 271 | E | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.7 | -73.3 | 153.4 | 173.7 | 0 | 0 | 111.2 | F267 T268 K273 I274 L275 L338 S341 L342 R345 | F267-E271 HydrophobicContact CB-CB 4.2Å; F267-E271 HydrophobicContact CD1-CB 4.43Å; T268-E271 WeakPolarHBondContact CB-OE2 3.48Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.35Å; T268-E271 PolarHBondContact N-OE2 2.87Å; T268-E271 PolarHBondContact O-N 3.28Å; T268-E271 WeakPolarHBondContact OG1-CB 3.49Å; T268-E271 VanDerWaalsContact OG1-CG 3.25Å; T268-E271 WeakPolarHBondContact OG1-CG 3.38Å; T268-E271 PolarHBondContact OG1-N 3.02Å; T268-E271 PolarHBondContact OG1-OE2 3.03Å; E271-K273 PolarHBondContact O-N 2.95Å; E271-I274 WeakPolarHBondContact O-CB 3.34Å; E271-I274 PolarHBondContact O-N 3.14Å; E271-I274 VanDerWaalsContact O-N 3.1Å; E271-L275 PolarHBondContact O-N 2.98Å; E271-L338 HydrophobicContact CB-CD1 4.13Å; E271-L338 HydrophobicContact CG-CD1 4.2Å; E271-S341 WeakPolarHBondContact CG-OG 3.49Å; E271-S341 WeakPolarHBondContact OE1-CB 3.42Å; E271-S341 PolarHBondContact OE1-OG 2.86Å; E271-L342 HydrophobicContact CG-CD2 4.41Å; E271-R345 IonicContact OE1-CZ 2.95Å; E271-R345 IonicContact OE1-NE 3.89Å; E271-R345 PolarHBondContact OE1-NE 2.91Å; E271-R345 IonicContact OE1-NH2 2.69Å; E271-R345 IonicContact OE2-CZ 3.07Å; E271-R345 IonicContact OE2-NE 2.79Å; E271-R345 PolarHBondContact OE2-NE 2.74Å; E271-R345 VanDerWaalsContact OE2-NE 3.07Å; E271-R345 IonicContact OE2-NH2 3.88Å; E271-R345 PolarHBondContact OE2-NH2 3.32Å |
| 272 | Y | 94.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -34.1 | -179.4 | -156.1 | -109.7 | 0 | 0 | 0 | 113.1 | N261 F263 T268 I274 L275 Q276 C361 E365 | N261-Y272 PolarHBondContact ND2-OH 3.49Å; F263-Y272 HydrophobicContact CB-CE2 4.04Å; T268-Y272 PolarHBondContact O-N 2.77Å; Y272-I274 VanDerWaalsContact C-N 3.28Å; Y272-I274 PolarHBondContact O-N 2.76Å; Y272-L275 HydrophobicContact CD2-CD1 4.31Å; Y272-L275 PolarHBondContact O-N 3.11Å; Y272-Q276 HydrophobicContact CD1-CG 4.43Å; Y272-Q276 HydrophobicContact CE1-CG 4.5Å; Y272-Q276 WeakPolarHBondContact O-CB 3.39Å; Y272-Q276 WeakPolarHBondContact O-CG 3.09Å; Y272-Q276 PolarHBondContact O-N 3.32Å; Y272-C361 HydrophobicContact CE1-CB 4.15Å; Y272-C361 HydrophobicContact CE2-CB 4.24Å; Y272-C361 WeakPolarHBondContact OH-CB 3.42Å; Y272-E365 HydrophobicContact CE1-CG 4.1Å; Y272-E365 WeakPolarHBondContact CE1-OE1 3.45Å |
| 273 | K | 95 | Very high | 93.4 | Very high | 93 Ų | 93 | 64 Ų | 64 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -31.5 | 171.6 | -76 | 162.8 | -157.8 | 147 | 0 | 112.7 | Q269 E270 E271 E277 | Q269-K273 WeakPolarHBondContact O-CD 3.5Å; Q269-K273 WeakPolarHBondContact O-CE 3.24Å; Q269-K273 WeakPolarHBondContact O-CG 3.38Å; Q269-K273 PolarHBondContact O-N 3.11Å; Q269-K273 PolarHBondContact O-NZ 3.45Å; E270-K273 PolarHBondContact O-N 3.33Å; E270-K273 IonicContact OE1-NZ 3.67Å; E270-K273 PolarHBondContact OE1-NZ 3.5Å; E271-K273 PolarHBondContact O-N 2.95Å; K273-E277 PolarHBondContact O-N 3.24Å |
| 274 | I | 96.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.5 | -40.3 | 177 | -65.4 | 163.2 | 0 | 0 | 0 | 110.3 | E270 E271 Y272 Q276 E277 L278 S334 P337 L338 | E270-I274 WeakPolarHBondContact O-CG1 2.93Å; E270-I274 PolarHBondContact O-N 3.33Å; E271-I274 WeakPolarHBondContact O-CB 3.34Å; E271-I274 PolarHBondContact O-N 3.14Å; E271-I274 VanDerWaalsContact O-N 3.1Å; Y272-I274 VanDerWaalsContact C-N 3.28Å; Y272-I274 PolarHBondContact O-N 2.76Å; I274-Q276 VanDerWaalsContact C-N 3.33Å; I274-Q276 PolarHBondContact O-N 3.08Å; I274-E277 WeakPolarHBondContact O-CA 3.06Å; I274-E277 WeakPolarHBondContact O-CB 3.4Å; I274-E277 PolarHBondContact O-N 2.74Å; I274-L278 HydrophobicContact CG2-CD1 3.89Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CG 3.09Å; I274-L278 PolarHBondContact O-N 3.24Å; I274-S334 VanDerWaalsContact CG2-O 3.32Å; I274-S334 WeakPolarHBondContact CG2-O 3.29Å; I274-P337 HydrophobicContact CD1-CB 4.25Å; I274-P337 HydrophobicContact CD1-CG 4.4Å; I274-L338 HydrophobicContact CD1-CB 4.46Å; I274-L338 HydrophobicContact CG2-CB 3.78Å; I274-L338 HydrophobicContact CG2-CD2 4.38Å; I274-L338 HydrophobicContact CG2-CG 4.46Å |
| 275 | L | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58 | -46 | 170.9 | -66.5 | 175.4 | 0 | 0 | 0 | 111.2 | E271 Y272 E277 L278 Y279 L338 V354 A357 C361 | E271-L275 PolarHBondContact O-N 2.98Å; Y272-L275 HydrophobicContact CD2-CD1 4.31Å; Y272-L275 PolarHBondContact O-N 3.11Å; L275-E277 PolarHBondContact O-N 2.83Å; L275-E277 VanDerWaalsContact O-N 3.09Å; L275-L278 PolarHBondContact O-N 2.9Å; L275-Y279 HydrophobicContact CD2-CD2 4.29Å; L275-Y279 HydrophobicContact CD2-CE2 3.96Å; L275-Y279 WeakPolarHBondContact O-CB 3.42Å; L275-Y279 WeakPolarHBondContact O-CD2 3.49Å; L275-Y279 PolarHBondContact O-N 3.38Å; L275-L338 HydrophobicContact CD2-CD2 3.82Å; L275-V354 HydrophobicContact CD2-CG1 3.85Å; L275-A357 HydrophobicContact CD1-CB 3.88Å; L275-C361 VanDerWaalsContact C-SG 3.57Å |
| 276 | Q | 94.7 | Very high | 91.9 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -12 | 172.9 | -72.3 | 178.4 | -13.7 | 0 | 0 | 114.8 | Y272 I274 K280 C361 E365 | Y272-Q276 HydrophobicContact CD1-CG 4.43Å; Y272-Q276 HydrophobicContact CE1-CG 4.5Å; Y272-Q276 WeakPolarHBondContact O-CB 3.39Å; Y272-Q276 WeakPolarHBondContact O-CG 3.09Å; Y272-Q276 PolarHBondContact O-N 3.32Å; I274-Q276 VanDerWaalsContact C-N 3.33Å; I274-Q276 PolarHBondContact O-N 3.08Å; Q276-K280 WeakPolarHBondContact O-CB 3.49Å; Q276-C361 HydrophobicContact CG-CB 3.83Å; Q276-E365 PolarHBondContact NE2-OE1 3.05Å |
| 277 | E | 95.1 | Very high | 91.4 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 52% | 0.523 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -94.2 | -49.5 | 172.6 | -175.5 | 166.1 | -123.3 | 0 | 0 | 111.5 | K273 I274 L275 K280 S334 | K273-E277 PolarHBondContact O-N 3.24Å; I274-E277 WeakPolarHBondContact O-CA 3.06Å; I274-E277 WeakPolarHBondContact O-CB 3.4Å; I274-E277 PolarHBondContact O-N 2.74Å; L275-E277 PolarHBondContact O-N 2.83Å; L275-E277 VanDerWaalsContact O-N 3.09Å; E277-K280 VanDerWaalsContact O-CB 3.27Å; E277-K280 WeakPolarHBondContact O-CB 3.41Å; E277-K280 PolarHBondContact O-N 3.39Å; E277-S334 WeakPolarHBondContact OE2-CB 3.47Å; E277-S334 PolarHBondContact OE2-OG 2.92Å |
| 278 | L | 96.6 | Very high | 91 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 180 | -67.1 | 170.9 | 0 | 0 | 0 | 112.3 | I274 L275 K280 Q303 L307 M332 L335 L338 | I274-L278 HydrophobicContact CG2-CD1 3.89Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CG 3.09Å; I274-L278 PolarHBondContact O-N 3.24Å; L275-L278 PolarHBondContact O-N 2.9Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 2.9Å; L278-Q303 PolarHBondContact O-NE2 2.66Å; L278-L307 HydrophobicContact CB-CD2 4.31Å; L278-M332 HydrophobicContact CD2-SD 4.29Å; L278-L335 HydrophobicContact CD1-CD1 4.48Å; L278-L338 HydrophobicContact CD1-CD2 3.83Å |
| 279 | Y | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.7 | -175.5 | -73.5 | -100.6 | 0 | 0 | 0 | 113.4 | L275 F281 R300 L307 F311 H355 G358 L359 D362 | L275-Y279 HydrophobicContact CD2-CD2 4.29Å; L275-Y279 HydrophobicContact CD2-CE2 3.96Å; L275-Y279 WeakPolarHBondContact O-CB 3.42Å; L275-Y279 WeakPolarHBondContact O-CD2 3.49Å; L275-Y279 PolarHBondContact O-N 3.38Å; Y279-F281 PolarHBondContact O-N 3.22Å; Y279-F281 VanDerWaalsContact O-N 3.11Å; Y279-R300 PolarHBondContact O-NH1 3.35Å; Y279-R300 PolarHBondContact O-NH2 2.95Å; Y279-L307 HydrophobicContact CD1-CD1 3.69Å; Y279-L307 HydrophobicContact CD2-CD1 4.4Å; Y279-L307 HydrophobicContact CD2-CD2 4.41Å; Y279-L307 HydrophobicContact CE1-CB 4.16Å; Y279-L307 HydrophobicContact CE1-CD1 3.77Å; Y279-L307 HydrophobicContact CE1-CD2 4.41Å; Y279-L307 HydrophobicContact CE1-CG 4.34Å; Y279-L307 HydrophobicContact CE2-CD1 4.45Å; Y279-L307 HydrophobicContact CE2-CD2 3.96Å; Y279-L307 HydrophobicContact CG-CD1 4Å; Y279-F311 AromaticContact CE2-CE2 3.97Å; Y279-F311 HydrophobicContact CE2-CE2 3.97Å; Y279-F311 HydrophobicContact CE2-CZ 4.49Å; Y279-F311 AromaticContact CZ-CE2 3.91Å; Y279-F311 WeakPolarHBondContact OH-CD2 3.49Å; Y279-F311 WeakPolarHBondContact OH-CE2 3.43Å; Y279-H355 AromaticContact CE1-ND1 3.85Å; Y279-H355 AromaticContact CZ-ND1 3.78Å; Y279-H355 WeakPolarHBondContact OH-CA 3.5Å; Y279-H355 PolarHBondContact OH-ND1 2.76Å; Y279-G358 VanDerWaalsContact CB-O 3.23Å; Y279-G358 WeakPolarHBondContact CB-O 3.27Å; Y279-G358 WeakPolarHBondContact CD1-O 3.21Å; Y279-G358 VanDerWaalsContact CD2-CA 3.48Å; Y279-L359 HydrophobicContact CD1-CD2 4.18Å; Y279-L359 HydrophobicContact CE1-CD2 3.94Å; Y279-L359 HydrophobicContact CE1-CG 4.14Å; Y279-D362 VanDerWaalsContact O-CB 3.25Å; Y279-D362 WeakPolarHBondContact O-CB 3.38Å |
| 280 | K | 94.6 | Very high | 90.8 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | trans | -56.6 | 109.4 | -164.5 | -170.7 | 171.6 | -171.3 | 161 | 0 | 115.2 | Q276 E277 L278 | Q276-K280 WeakPolarHBondContact O-CB 3.49Å; E277-K280 VanDerWaalsContact O-CB 3.27Å; E277-K280 WeakPolarHBondContact O-CB 3.41Å; E277-K280 PolarHBondContact O-N 3.39Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 2.9Å | ||
| 281 | F | 93.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 72.1 Ų | 72.1 | 6% | 0.057 | 37% | 0.367 | C | S | . | . | trans | -80.2 | 123.8 | 170.1 | -177.1 | -116.5 | 0 | 0 | 0 | 110.8 | L135 Y279 K283 P284 I296 R300 D362 | L135-F281 HydrophobicContact CB-CE1 4.11Å; L135-F281 HydrophobicContact CB-CZ 3.73Å; Y279-F281 PolarHBondContact O-N 3.22Å; Y279-F281 VanDerWaalsContact O-N 3.11Å; F281-K283 PolarHBondContact O-N 3.46Å; F281-P284 HydrophobicContact CZ-CG 4.42Å; F281-I296 HydrophobicContact CE2-CG2 3.91Å; F281-I296 HydrophobicContact CZ-CG2 3.9Å; F281-R300 HydrophobicContact CD2-CB 4.3Å; F281-R300 HydrophobicContact CD2-CG 3.93Å; F281-R300 HydrophobicContact CE2-CB 4.11Å; F281-R300 HydrophobicContact CE2-CG 4.08Å; F281-D362 HydrophobicContact CB-CB 4.4Å; F281-D362 PolarHBondContact N-O 2.87Å | ||
| 282 | K | 85.3 | Confident | 90.7 | Very high | 175 Ų | 175 | 75.5 Ų | 75.5 | 76% | 0.761 | 39% | 0.385 | S | S | * | . | trans | -83.7 | 98.9 | -179.4 | -70.1 | 166.8 | -171.6 | 151 | 0 | 109.3 | ||||
| 283 | K | 82.3 | Confident | 90.7 | Very high | 118 Ų | 118 | 75.5 Ų | 75.5 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 123.3 | 179 | -67.5 | -172.3 | -179.2 | -178.7 | 0 | 111.1 | F281 Y363 | F281-K283 PolarHBondContact O-N 3.46Å; K283-Y363 WeakPolarHBondContact CE-O 3.5Å; K283-Y363 PolarHBondContact NZ-O 3.15Å |
| 284 | P | 82.8 | Confident | 90.7 | Very high | 24 Ų | 24 | 73 Ų | 73 | 16% | 0.156 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 160.6 | -175.7 | -29.6 | 33.7 | 0 | 0 | 0 | 115.8 | L135 F281 L288 I296 | L135-P284 HydrophobicContact CD1-CG 4.08Å; F281-P284 HydrophobicContact CZ-CG 4.42Å; P284-L288 HydrophobicContact CB-CD1 3.49Å; P284-L288 VanDerWaalsContact CB-CD1 3.49Å; P284-L288 HydrophobicContact CB-CD2 4.12Å; P284-L288 HydrophobicContact CB-CG 4.33Å; P284-L288 HydrophobicContact CG-CD1 4.31Å; P284-I296 HydrophobicContact CB-CD1 3.96Å; P284-I296 HydrophobicContact CG-CD1 4.04Å; P284-I296 HydrophobicContact CG-CG2 4.33Å |
| 285 | G | 79.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 76.8 Ų | 76.8 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L288 | G285-L288 WeakPolarHBondContact O-CG 3.46Š|
| 286 | T | 78.8 | Confident | 90.5 | Very high | 132 Ų | 132 | 78.8 Ų | 78.8 | 81% | 0.81 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -91.3 | 142.7 | 171.2 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 287 | N | 82.3 | Confident | 90.6 | Very high | 159 Ų | 159 | 75.8 Ų | 75.8 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 69.2 | 50.5 | -177.2 | -36.4 | -87.4 | 0 | 0 | 0 | 113.9 | ||
| 288 | L | 86.9 | Confident | 90.6 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | trans | -68.8 | 151.9 | 170.8 | -53.9 | 164.8 | 0 | 0 | 0 | 111.1 | P284 G285 D292 L293 I296 | P284-L288 HydrophobicContact CB-CD1 3.49Å; P284-L288 VanDerWaalsContact CB-CD1 3.49Å; P284-L288 HydrophobicContact CB-CD2 4.12Å; P284-L288 HydrophobicContact CB-CG 4.33Å; P284-L288 HydrophobicContact CG-CD1 4.31Å; G285-L288 WeakPolarHBondContact O-CG 3.46Å; L288-D292 HydrophobicContact CB-CB 4.11Å; L288-D292 HydrophobicContact CD2-CB 4.07Å; L288-L293 HydrophobicContact CB-CG 4.25Å; L288-L293 HydrophobicContact CD1-CD2 3.6Å; L288-L293 HydrophobicContact CD1-CG 4.05Å; L288-I296 HydrophobicContact CD2-CD1 4.17Å | ||
| 289 | T | 92 | Very high | 90.5 | Very high | 75 Ų | 75 | 78.7 Ų | 78.7 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | trans | -89 | 175.6 | 159.8 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | E291 D292 L293 | T289-E291 PolarHBondContact OG1-N 3.44Å; T289-D292 VanDerWaalsContact CB-OD2 3.3Å; T289-D292 WeakPolarHBondContact CB-OD2 3.43Å; T289-D292 WeakPolarHBondContact CG2-OD2 3.46Å; T289-D292 PolarHBondContact N-OD2 3.03Å; T289-D292 PolarHBondContact O-N 3.12Å; T289-D292 VanDerWaalsContact OG1-CG 3.31Å; T289-D292 PolarHBondContact OG1-N 3.01Å; T289-D292 VanDerWaalsContact OG1-N 3.15Å; T289-D292 PolarHBondContact OG1-OD2 3.08Å; T289-L293 PolarHBondContact O-N 3.27Å | ||
| 290 | E | 92.4 | Very high | 90.5 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 173.1 | -168.7 | 160.9 | 62.5 | 0 | 0 | 111.7 | P142 L293 V294 | P142-E290 HydrophobicContact CB-CG 4.25Å; P142-E290 HydrophobicContact CG-CG 4.01Å; E290-L293 PolarHBondContact O-N 3.47Å; E290-V294 WeakPolarHBondContact O-CG2 3.27Å; E290-V294 PolarHBondContact O-N 2.71Å |
| 291 | E | 93.3 | Very high | 90.5 | Very high | 159 Ų | 159 | 75.6 Ų | 75.6 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 171.5 | -70.5 | 179.1 | 129.7 | 0 | 0 | 111.3 | T289 L293 V294 D295 | T289-E291 PolarHBondContact OG1-N 3.44Å; E291-L293 PolarHBondContact O-N 2.92Å; E291-V294 PolarHBondContact O-N 3.13Å; E291-D295 PolarHBondContact O-N 2.96Å |
| 292 | D | 94.3 | Very high | 90.7 | Very high | 71 Ų | 71 | 80.5 Ų | 80.5 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -33.3 | 176.2 | -63.7 | -73.1 | 0 | 0 | 0 | 112.4 | L288 T289 I296 | L288-D292 HydrophobicContact CB-CB 4.11Å; L288-D292 HydrophobicContact CD2-CB 4.07Å; T289-D292 VanDerWaalsContact CB-OD2 3.3Å; T289-D292 WeakPolarHBondContact CB-OD2 3.43Å; T289-D292 WeakPolarHBondContact CG2-OD2 3.46Å; T289-D292 PolarHBondContact N-OD2 3.03Å; T289-D292 PolarHBondContact O-N 3.12Å; T289-D292 VanDerWaalsContact OG1-CG 3.31Å; T289-D292 PolarHBondContact OG1-N 3.01Å; T289-D292 VanDerWaalsContact OG1-N 3.15Å; T289-D292 PolarHBondContact OG1-OD2 3.08Å; D292-I296 WeakPolarHBondContact O-CB 3.45Å; D292-I296 VanDerWaalsContact O-CD1 3.27Å; D292-I296 WeakPolarHBondContact O-CD1 3.22Å; D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 2.91Å |
| 293 | L | 95.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -73 | -41.7 | 178 | -77.7 | 164.1 | 0 | 0 | 0 | 111.9 | T130 L135 Y140 L288 T289 E290 E291 I296 V297 | T130-L293 HydrophobicContact CG2-CD1 3.63Å; T130-L293 HydrophobicContact CG2-CD2 4.38Å; L135-L293 HydrophobicContact CD1-CD2 3.81Å; L135-L293 HydrophobicContact CD2-CD2 4.05Å; Y140-L293 HydrophobicContact CD1-CB 4.27Å; Y140-L293 HydrophobicContact CE1-CB 3.65Å; Y140-L293 HydrophobicContact CE1-CD1 4.43Å; L288-L293 HydrophobicContact CB-CG 4.25Å; L288-L293 HydrophobicContact CD1-CD2 3.6Å; L288-L293 HydrophobicContact CD1-CG 4.05Å; T289-L293 PolarHBondContact O-N 3.27Å; E290-L293 PolarHBondContact O-N 3.47Å; E291-L293 PolarHBondContact O-N 2.92Å; L293-I296 PolarHBondContact O-N 2.87Å; L293-V297 WeakPolarHBondContact O-CB 3.44Å; L293-V297 WeakPolarHBondContact O-CG2 3.12Å; L293-V297 PolarHBondContact O-N 3.01Å |
| 294 | V | 95.1 | Very high | 91.8 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | Y140 P142 E290 E291 I296 V297 D298 | Y140-V294 HydrophobicContact CE1-CG2 4.49Å; P142-V294 HydrophobicContact CG-CG2 3.75Å; E290-V294 WeakPolarHBondContact O-CG2 3.27Å; E290-V294 PolarHBondContact O-N 2.71Å; E291-V294 PolarHBondContact O-N 3.13Å; V294-I296 PolarHBondContact O-N 2.93Å; V294-V297 PolarHBondContact O-N 2.69Å; V294-V297 VanDerWaalsContact O-N 3.08Å; V294-D298 WeakPolarHBondContact O-CB 3.34Å; V294-D298 PolarHBondContact O-N 2.97Å |
| 295 | D | 95.2 | Very high | 92.5 | Very high | 108 Ų | 108 | 74.5 Ų | 74.5 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.9 | -38.2 | 177.3 | -87.9 | 1.8 | 0 | 0 | 0 | 112.2 | E291 T299 | E291-D295 PolarHBondContact O-N 2.96Å; D295-T299 VanDerWaalsContact O-CB 3.24Å; D295-T299 WeakPolarHBondContact O-CB 3.07Å; D295-T299 PolarHBondContact O-N 3.46Å; D295-T299 VanDerWaalsContact O-N 3.1Å; D295-T299 PolarHBondContact O-OG1 3.48Å |
| 296 | I | 95.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 75.4 Ų | 75.4 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 176.8 | -74.7 | 168.7 | 0 | 0 | 0 | 111.7 | F281 P284 L288 D292 L293 V294 R300 | F281-I296 HydrophobicContact CE2-CG2 3.91Å; F281-I296 HydrophobicContact CZ-CG2 3.9Å; P284-I296 HydrophobicContact CB-CD1 3.96Å; P284-I296 HydrophobicContact CG-CD1 4.04Å; P284-I296 HydrophobicContact CG-CG2 4.33Å; L288-I296 HydrophobicContact CD2-CD1 4.17Å; D292-I296 WeakPolarHBondContact O-CB 3.45Å; D292-I296 VanDerWaalsContact O-CD1 3.27Å; D292-I296 WeakPolarHBondContact O-CD1 3.22Å; D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 2.91Å; L293-I296 PolarHBondContact O-N 2.87Å; V294-I296 PolarHBondContact O-N 2.93Å; I296-R300 WeakPolarHBondContact O-CB 3.31Å; I296-R300 PolarHBondContact O-N 3.07Å |
| 297 | V | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69 | -46.6 | -179.5 | 163.8 | 0 | 0 | 0 | 0 | 111.1 | L135 Y140 L293 V294 T299 R300 I301 | L135-V297 HydrophobicContact CD2-CG2 3.72Å; Y140-V297 HydrophobicContact CD1-CG2 4.11Å; L293-V297 WeakPolarHBondContact O-CB 3.44Å; L293-V297 WeakPolarHBondContact O-CG2 3.12Å; L293-V297 PolarHBondContact O-N 3.01Å; V294-V297 PolarHBondContact O-N 2.69Å; V294-V297 VanDerWaalsContact O-N 3.08Å; V297-T299 VanDerWaalsContact C-N 3.33Å; V297-T299 PolarHBondContact O-N 2.77Å; V297-R300 CarbonylContact O-C 3.55Å; V297-R300 WeakPolarHBondContact O-CA 3.3Å; V297-R300 WeakPolarHBondContact O-CB 3.47Å; V297-R300 PolarHBondContact O-N 3.03Å; V297-I301 HydrophobicContact CG1-CD1 3.75Å; V297-I301 HydrophobicContact CG1-CG1 4.4Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.49Å |
| 298 | D | 95.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 174.8 | -77 | 1.7 | 0 | 0 | 0 | 110.5 | V294 R300 I301 H302 | V294-D298 WeakPolarHBondContact O-CB 3.34Å; V294-D298 PolarHBondContact O-N 2.97Å; D298-R300 PolarHBondContact O-N 3.37Å; D298-I301 PolarHBondContact O-N 3.41Å; D298-H302 PolarHBondContact O-N 3.21Å; D298-H302 VanDerWaalsContact O-N 3.09Å; D298-H302 PolarHBondContact O-ND1 2.87Å |
| 299 | T | 95.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.5 | -35.5 | 175.5 | -61 | 0 | 0 | 0 | 0 | 112.1 | D295 V297 Q303 | D295-T299 VanDerWaalsContact O-CB 3.24Å; D295-T299 WeakPolarHBondContact O-CB 3.07Å; D295-T299 PolarHBondContact O-N 3.46Å; D295-T299 VanDerWaalsContact O-N 3.1Å; D295-T299 PolarHBondContact O-OG1 3.48Å; V297-T299 VanDerWaalsContact C-N 3.33Å; V297-T299 PolarHBondContact O-N 2.77Å; T299-Q303 PolarHBondContact O-N 2.81Å |
| 300 | R | 95.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.6 | -41.6 | 178.2 | 179.4 | 50.4 | 170.7 | 177.7 | 1.8 | 112.3 | S136 Y279 F281 I296 V297 D298 Q303 L304 D362 | S136-R300 WeakPolarHBondContact O-CG 3.04Å; S136-R300 PolarHBondContact O-NE 3.13Å; Y279-R300 PolarHBondContact O-NH1 3.35Å; Y279-R300 PolarHBondContact O-NH2 2.95Å; F281-R300 HydrophobicContact CD2-CB 4.3Å; F281-R300 HydrophobicContact CD2-CG 3.93Å; F281-R300 HydrophobicContact CE2-CB 4.11Å; F281-R300 HydrophobicContact CE2-CG 4.08Å; I296-R300 WeakPolarHBondContact O-CB 3.31Å; I296-R300 PolarHBondContact O-N 3.07Å; V297-R300 CarbonylContact O-C 3.55Å; V297-R300 WeakPolarHBondContact O-CA 3.3Å; V297-R300 WeakPolarHBondContact O-CB 3.47Å; V297-R300 PolarHBondContact O-N 3.03Å; D298-R300 PolarHBondContact O-N 3.37Å; R300-Q303 VanDerWaalsContact NH1-CD 3.3Å; R300-Q303 WeakPolarHBondContact O-CB 3.25Å; R300-Q303 PolarHBondContact O-N 3.19Å; R300-L304 HydrophobicContact CG-CD1 4.27Å; R300-L304 WeakPolarHBondContact O-CG 3.36Å; R300-L304 PolarHBondContact O-N 3.08Å; R300-D362 IonicContact CZ-OD2 3.66Å; R300-D362 VanDerWaalsContact NH2-CG 3.32Å; R300-D362 IonicContact NH2-OD2 3.85Å; R300-D362 PolarHBondContact NH2-OD2 3.44Å |
| 301 | I | 95.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 175.9 | -69.4 | 165.5 | 0 | 0 | 0 | 109.8 | V297 D298 Q303 L304 E305 | V297-I301 HydrophobicContact CG1-CD1 3.75Å; V297-I301 HydrophobicContact CG1-CG1 4.4Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.49Å; D298-I301 PolarHBondContact O-N 3.41Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 3.08Å; I301-L304 PolarHBondContact O-N 2.99Å; I301-E305 HydrophobicContact CG2-CG 4.29Å; I301-E305 WeakPolarHBondContact O-CG 3.38Å; I301-E305 PolarHBondContact O-N 3.16Å |
| 302 | H | 95.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 52.2 Ų | 52.2 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 177.2 | -68.9 | 85.5 | 0 | 0 | 0 | 112.7 | D298 D306 | D298-H302 PolarHBondContact O-N 3.21Å; D298-H302 VanDerWaalsContact O-N 3.09Å; D298-H302 PolarHBondContact O-ND1 2.87Å; H302-D306 WeakPolarHBondContact O-CB 3.23Å; H302-D306 PolarHBondContact O-N 3.41Å |
| 303 | Q | 96 | Very high | 96.2 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.3 | -174.7 | -168.8 | 7.6 | 0 | 0 | 111.8 | L278 T299 R300 I301 L307 | L278-Q303 PolarHBondContact O-NE2 2.66Å; T299-Q303 PolarHBondContact O-N 2.81Å; R300-Q303 VanDerWaalsContact NH1-CD 3.3Å; R300-Q303 WeakPolarHBondContact O-CB 3.25Å; R300-Q303 PolarHBondContact O-N 3.19Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 3.08Å; Q303-L307 HydrophobicContact CG-CD1 4.02Å; Q303-L307 WeakPolarHBondContact O-CB 3.32Å; Q303-L307 WeakPolarHBondContact O-CD1 3.45Å; Q303-L307 VanDerWaalsContact O-CG 3.22Å; Q303-L307 WeakPolarHBondContact O-CG 3.27Å; Q303-L307 PolarHBondContact O-N 3.15Å; Q303-L307 VanDerWaalsContact O-N 3.08Å |
| 304 | L | 96.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 178.4 | -70 | 174.6 | 0 | 0 | 0 | 111.5 | R300 I301 L307 E308 L359 | R300-L304 HydrophobicContact CG-CD1 4.27Å; R300-L304 WeakPolarHBondContact O-CG 3.36Å; R300-L304 PolarHBondContact O-N 3.08Å; I301-L304 PolarHBondContact O-N 2.99Å; L304-L307 PolarHBondContact O-N 2.93Å; L304-E308 WeakPolarHBondContact O-CB 3.27Å; L304-E308 PolarHBondContact O-N 3.43Å; L304-L359 HydrophobicContact CD2-CD2 3.63Å |
| 305 | E | 96.1 | Very high | 96.3 | Very high | 105 Ų | 105 | 52.5 Ų | 52.5 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.5 | -69.1 | 176.4 | 157.6 | 0 | 0 | 112 | I301 L307 E308 A309 | I301-E305 HydrophobicContact CG2-CG 4.29Å; I301-E305 WeakPolarHBondContact O-CG 3.38Å; I301-E305 PolarHBondContact O-N 3.16Å; E305-L307 VanDerWaalsContact C-N 3.29Å; E305-L307 PolarHBondContact O-N 3.01Å; E305-E308 PolarHBondContact O-N 3.32Å; E305-A309 VanDerWaalsContact O-CB 3.27Å; E305-A309 WeakPolarHBondContact O-CB 3.25Å; E305-A309 PolarHBondContact O-N 3.22Å |
| 306 | D | 96.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 174.3 | -94.3 | -20.8 | 0 | 0 | 0 | 111.7 | H302 T310 M332 | H302-D306 WeakPolarHBondContact O-CB 3.23Å; H302-D306 PolarHBondContact O-N 3.41Å; D306-T310 VanDerWaalsContact O-CB 3.3Å; D306-T310 WeakPolarHBondContact O-CB 3.44Å; D306-T310 PolarHBondContact O-N 3.41Å; D306-T310 PolarHBondContact O-OG1 2.93Å; D306-M332 HydrophobicContact CB-CE 3.88Å |
| 307 | L | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.4 | -47.8 | 177.2 | -75.1 | 162.7 | 0 | 0 | 0 | 111.8 | L278 Y279 Q303 L304 E305 A309 T310 F311 M332 | L278-L307 HydrophobicContact CB-CD2 4.31Å; Y279-L307 HydrophobicContact CD1-CD1 3.69Å; Y279-L307 HydrophobicContact CD2-CD1 4.4Å; Y279-L307 HydrophobicContact CD2-CD2 4.41Å; Y279-L307 HydrophobicContact CE1-CB 4.16Å; Y279-L307 HydrophobicContact CE1-CD1 3.77Å; Y279-L307 HydrophobicContact CE1-CD2 4.41Å; Y279-L307 HydrophobicContact CE1-CG 4.34Å; Y279-L307 HydrophobicContact CE2-CD1 4.45Å; Y279-L307 HydrophobicContact CE2-CD2 3.96Å; Y279-L307 HydrophobicContact CG-CD1 4Å; Q303-L307 HydrophobicContact CG-CD1 4.02Å; Q303-L307 WeakPolarHBondContact O-CB 3.32Å; Q303-L307 WeakPolarHBondContact O-CD1 3.45Å; Q303-L307 VanDerWaalsContact O-CG 3.22Å; Q303-L307 WeakPolarHBondContact O-CG 3.27Å; Q303-L307 PolarHBondContact O-N 3.15Å; Q303-L307 VanDerWaalsContact O-N 3.08Å; L304-L307 PolarHBondContact O-N 2.93Å; E305-L307 VanDerWaalsContact C-N 3.29Å; E305-L307 PolarHBondContact O-N 3.01Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.15Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.01Å; L307-T310 VanDerWaalsContact O-N 3.13Å; L307-F311 HydrophobicContact CD2-CE2 4.21Å; L307-F311 VanDerWaalsContact O-CD2 3.3Å; L307-F311 WeakPolarHBondContact O-CD2 3.45Å; L307-F311 PolarHBondContact O-N 3.36Å; L307-M332 HydrophobicContact CD2-CE 3.69Å; L307-M332 HydrophobicContact CD2-SD 3.85Å; L307-M332 HydrophobicContact CG-CE 3.86Å |
| 308 | E | 97.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 55.9 Ų | 55.9 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -49.4 | 174.8 | -174.8 | -177.2 | 175.1 | 0 | 0 | 110.4 | L304 E305 T310 F311 A312 | L304-E308 WeakPolarHBondContact O-CB 3.27Å; L304-E308 PolarHBondContact O-N 3.43Å; E305-E308 PolarHBondContact O-N 3.32Å; E308-T310 VanDerWaalsContact C-N 3.34Å; E308-T310 PolarHBondContact O-N 2.55Å; E308-F311 PolarHBondContact O-N 2.77Å; E308-A312 VanDerWaalsContact O-CB 3.29Å; E308-A312 WeakPolarHBondContact O-CB 3.44Å; E308-A312 PolarHBondContact O-N 3.26Å |
| 309 | A | 97.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E305 L307 D313 W326 | E305-A309 VanDerWaalsContact O-CB 3.27Å; E305-A309 WeakPolarHBondContact O-CB 3.25Å; E305-A309 PolarHBondContact O-N 3.22Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.15Å; A309-D313 WeakPolarHBondContact O-CB 3.1Å; A309-D313 PolarHBondContact O-N 3.45Å; A309-D313 VanDerWaalsContact O-N 3.07Å; A309-W326 HydrophobicContact CB-CH2 3.77Å; A309-W326 HydrophobicContact CB-CZ2 4.09Å |
| 310 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 175.2 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | D306 L307 E308 L314 W326 L335 | D306-T310 VanDerWaalsContact O-CB 3.3Å; D306-T310 WeakPolarHBondContact O-CB 3.44Å; D306-T310 PolarHBondContact O-N 3.41Å; D306-T310 PolarHBondContact O-OG1 2.93Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.01Å; L307-T310 VanDerWaalsContact O-N 3.13Å; E308-T310 VanDerWaalsContact C-N 3.34Å; E308-T310 PolarHBondContact O-N 2.55Å; T310-L314 HydrophobicContact CG2-CD1 4.26Å; T310-L314 VanDerWaalsContact O-CG 3.32Å; T310-L314 WeakPolarHBondContact O-CG 3.06Å; T310-L314 PolarHBondContact O-N 3.46Å; T310-W326 HydrophobicContact CG2-CB 4.04Å; T310-W326 HydrophobicContact CG2-CD2 4.26Å; T310-W326 HydrophobicContact CG2-CG 3.95Å; T310-W326 VanDerWaalsContact OG1-CD2 3.29Å; T310-L335 HydrophobicContact CG2-CD1 3.96Å; T310-L335 HydrophobicContact CG2-CD2 3.57Å; T310-L335 HydrophobicContact CG2-CG 4.43Å |
| 311 | F | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76 | -31.4 | -176.6 | -76.8 | -79.8 | 0 | 0 | 0 | 112.6 | Y279 L307 E308 L314 C315 L335 L338 Y351 V354 H355 | Y279-F311 AromaticContact CE2-CE2 3.97Å; Y279-F311 HydrophobicContact CE2-CE2 3.97Å; Y279-F311 HydrophobicContact CE2-CZ 4.49Å; Y279-F311 AromaticContact CZ-CE2 3.91Å; Y279-F311 WeakPolarHBondContact OH-CD2 3.49Å; Y279-F311 WeakPolarHBondContact OH-CE2 3.43Å; L307-F311 HydrophobicContact CD2-CE2 4.21Å; L307-F311 VanDerWaalsContact O-CD2 3.3Å; L307-F311 WeakPolarHBondContact O-CD2 3.45Å; L307-F311 PolarHBondContact O-N 3.36Å; E308-F311 PolarHBondContact O-N 2.77Å; F311-L314 HydrophobicContact CD1-CD1 4.12Å; F311-L314 HydrophobicContact CE1-CD1 4.21Å; F311-L314 PolarHBondContact O-N 2.91Å; F311-C315 PolarHBondContact O-N 3.01Å; F311-L335 HydrophobicContact CZ-CD1 4.08Å; F311-L338 HydrophobicContact CE1-CD2 4.47Å; F311-L338 HydrophobicContact CZ-CD2 4.1Å; F311-Y351 HydrophobicContact CD1-CD1 4.12Å; F311-Y351 WeakPolarHBondContact CD1-O 3.28Å; F311-Y351 HydrophobicContact CE1-CD1 4.26Å; F311-V354 HydrophobicContact CD1-CB 4.4Å; F311-V354 HydrophobicContact CD1-CG1 4.21Å; F311-V354 HydrophobicContact CE1-CB 4.08Å; F311-V354 HydrophobicContact CE1-CG1 3.43Å; F311-V354 VanDerWaalsContact CE1-CG1 3.43Å; F311-V354 HydrophobicContact CZ-CG1 3.96Å; F311-H355 HydrophobicContact CB-CB 3.92Å; F311-H355 HydrophobicContact CD2-CB 4.3Å; F311-H355 HydrophobicContact CG-CB 3.98Å |
| 312 | A | 97.3 | Very high | 96 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E308 L314 C315 D316 | E308-A312 VanDerWaalsContact O-CB 3.29Å; E308-A312 WeakPolarHBondContact O-CB 3.44Å; E308-A312 PolarHBondContact O-N 3.26Å; A312-L314 VanDerWaalsContact C-N 3.28Å; A312-L314 PolarHBondContact O-N 3.47Å; A312-C315 WeakPolarHBondContact O-CB 3.33Å; A312-C315 PolarHBondContact O-N 2.94Å; A312-D316 PolarHBondContact O-N 3.25Å |
| 313 | D | 97.1 | Very high | 96.1 | Very high | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 173.6 | -97 | -14.2 | 0 | 0 | 0 | 112 | A309 D316 G317 T322 R325 W326 | A309-D313 WeakPolarHBondContact O-CB 3.1Å; A309-D313 PolarHBondContact O-N 3.45Å; A309-D313 VanDerWaalsContact O-N 3.07Å; D313-D316 PolarHBondContact O-N 2.85Å; D313-G317 PolarHBondContact O-N 2.76Å; D313-T322 HydrophobicContact CB-CG2 4.42Å; D313-R325 IonicContact OD1-NH2 3.11Å; D313-R325 IonicContact OD2-CZ 2.7Å; D313-R325 IonicContact OD2-NH2 3.33Å; D313-R325 PolarHBondContact OD2-NH2 3.12Å; D313-W326 VanDerWaalsContact OD2-CE2 3.3Å; D313-W326 WeakPolarHBondContact OD2-CZ2 3.43Å; D313-W326 PolarHBondContact OD2-NE1 2.99Å |
| 314 | L | 96.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.9 | -27 | 178.4 | -68.8 | 172.5 | 0 | 0 | 0 | 113.3 | T310 F311 A312 D316 D318 V323 L335 V339 Y351 | T310-L314 HydrophobicContact CG2-CD1 4.26Å; T310-L314 VanDerWaalsContact O-CG 3.32Å; T310-L314 WeakPolarHBondContact O-CG 3.06Å; T310-L314 PolarHBondContact O-N 3.46Å; F311-L314 HydrophobicContact CD1-CD1 4.12Å; F311-L314 HydrophobicContact CE1-CD1 4.21Å; F311-L314 PolarHBondContact O-N 2.91Å; A312-L314 VanDerWaalsContact C-N 3.28Å; A312-L314 PolarHBondContact O-N 3.47Å; L314-D316 VanDerWaalsContact C-N 3.33Å; L314-D318 HydrophobicContact CD2-CB 3.93Å; L314-V323 HydrophobicContact CD2-CG2 3.69Å; L314-L335 HydrophobicContact CD1-CD1 4.13Å; L314-V339 HydrophobicContact CD1-CG2 4.12Å; L314-V339 HydrophobicContact CD2-CG2 4.49Å; L314-Y351 HydrophobicContact CB-CD1 3.96Å; L314-Y351 HydrophobicContact CB-CD2 3.83Å; L314-Y351 HydrophobicContact CB-CE1 4.3Å; L314-Y351 HydrophobicContact CB-CE2 4.17Å; L314-Y351 HydrophobicContact CB-CG 3.72Å; L314-Y351 HydrophobicContact CD1-CD1 4.04Å; L314-Y351 HydrophobicContact CD1-CE1 4.12Å; L314-Y351 VanDerWaalsContact O-CD2 3.31Å; L314-Y351 WeakPolarHBondContact O-CD2 3.46Å |
| 315 | C | 95.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 51% | 0.507 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 168.6 | -74 | 0 | 0 | 0 | 0 | 112.3 | F311 A312 | F311-C315 PolarHBondContact O-N 3.01Å; A312-C315 WeakPolarHBondContact O-CB 3.33Å; A312-C315 PolarHBondContact O-N 2.94Å |
| 316 | D | 94.4 | Very high | 96.2 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 85% | 0.85 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -78.9 | -34.2 | 173.8 | -98 | -0.8 | 0 | 0 | 0 | 112.5 | A312 D313 L314 | A312-D316 PolarHBondContact O-N 3.25Å; D313-D316 PolarHBondContact O-N 2.85Å; L314-D316 VanDerWaalsContact C-N 3.33Å |
| 317 | G | 92.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | trans | -176.5 | 128.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | D313 T322 | D313-G317 PolarHBondContact O-N 2.76Å; G317-T322 WeakPolarHBondContact O-CG2 3.21Å | ||
| 318 | D | 94.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | trans | -107.3 | 43.2 | -176.8 | 72.7 | -15.5 | 0 | 0 | 0 | 113.7 | L314 K343 Y351 | L314-D318 HydrophobicContact CD2-CB 3.93Å; D318-K343 PolarHBondContact O-NZ 3.11Å; D318-K343 IonicContact OD1-NZ 2.77Å; D318-K343 PolarHBondContact OD1-NZ 3.4Å; D318-K343 VanDerWaalsContact OD2-CD 3.22Å; D318-K343 WeakPolarHBondContact OD2-CD 3.32Å; D318-K343 WeakPolarHBondContact OD2-CE 3.48Å; D318-K343 IonicContact OD2-NZ 2.77Å; D318-K343 PolarHBondContact OD2-NZ 2.84Å; D318-Y351 HydrophobicContact CB-CE2 3.57Å; D318-Y351 WeakPolarHBondContact CB-OH 3.4Å; D318-Y351 PolarHBondContact OD2-OH 3.1Å | ||
| 319 | D | 94.9 | Very high | 96 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | trans | -79.1 | 166.2 | 178.9 | 77.9 | 83.9 | 0 | 0 | 0 | 113.5 | E321 T322 V323 | D319-E321 VanDerWaalsContact C-N 3.33Å; D319-E321 PolarHBondContact O-N 3.12Å; D319-E321 WeakPolarHBondContact OD1-CA 3.31Å; D319-E321 VanDerWaalsContact OD1-CB 3.3Å; D319-E321 WeakPolarHBondContact OD1-CB 3.49Å; D319-E321 PolarHBondContact OD1-N 2.87Å; D319-T322 PolarHBondContact O-N 2.73Å; D319-T322 PolarHBondContact OD1-N 3.35Å; D319-T322 VanDerWaalsContact OD2-CB 3.27Å; D319-T322 WeakPolarHBondContact OD2-CB 3.16Å; D319-T322 PolarHBondContact OD2-OG1 3.33Å; D319-V323 WeakPolarHBondContact O-CB 3.41Å; D319-V323 WeakPolarHBondContact O-CG2 3.26Å; D319-V323 PolarHBondContact O-N 2.84Å | ||
| 320 | E | 94.2 | Very high | 95.7 | Very high | 171 Ų | 171 | 65.7 Ų | 65.7 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.6 | -28.5 | -174.8 | -168.9 | 171.7 | -163.6 | 0 | 0 | 113.7 | Q324 | E320-Q324 WeakPolarHBondContact O-CB 3.49Å; E320-Q324 PolarHBondContact O-N 2.72Å; E320-Q324 VanDerWaalsContact O-N 3.14Å |
| 321 | E | 95.6 | Very high | 95.4 | Very high | 161 Ų | 161 | 67.7 Ų | 67.7 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -75.4 | -45.2 | 175.2 | -170.9 | 175.1 | 160.3 | 0 | 0 | 110.7 | D319 Q324 R325 | D319-E321 VanDerWaalsContact C-N 3.33Å; D319-E321 PolarHBondContact O-N 3.12Å; D319-E321 WeakPolarHBondContact OD1-CA 3.31Å; D319-E321 VanDerWaalsContact OD1-CB 3.3Å; D319-E321 WeakPolarHBondContact OD1-CB 3.49Å; D319-E321 PolarHBondContact OD1-N 2.87Å; E321-Q324 PolarHBondContact O-N 3.38Å; E321-R325 VanDerWaalsContact O-CB 3.31Å; E321-R325 WeakPolarHBondContact O-CB 3.04Å; E321-R325 PolarHBondContact O-N 2.85Å |
| 322 | T | 94.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 68 Ų | 68 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | D313 G317 D319 R325 W326 | D313-T322 HydrophobicContact CB-CG2 4.42Å; G317-T322 WeakPolarHBondContact O-CG2 3.21Å; D319-T322 PolarHBondContact O-N 2.73Å; D319-T322 PolarHBondContact OD1-N 3.35Å; D319-T322 VanDerWaalsContact OD2-CB 3.27Å; D319-T322 WeakPolarHBondContact OD2-CB 3.16Å; D319-T322 PolarHBondContact OD2-OG1 3.33Å; T322-R325 WeakPolarHBondContact O-CB 3.48Å; T322-R325 PolarHBondContact O-N 2.8Å; T322-W326 PolarHBondContact O-N 3.42Å |
| 323 | V | 96.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L314 D319 A327 V336 V339 | L314-V323 HydrophobicContact CD2-CG2 3.69Å; D319-V323 WeakPolarHBondContact O-CB 3.41Å; D319-V323 WeakPolarHBondContact O-CG2 3.26Å; D319-V323 PolarHBondContact O-N 2.84Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.29Å; V323-A327 PolarHBondContact O-N 3.07Å; V323-V336 HydrophobicContact CG1-CG2 4.25Å; V323-V339 HydrophobicContact CG1-CB 4.25Å; V323-V339 HydrophobicContact CG1-CG1 4.48Å; V323-V339 HydrophobicContact CG1-CG2 4.24Å; V323-V339 HydrophobicContact CG2-CB 4.38Å; V323-V339 HydrophobicContact CG2-CG1 3.87Å; V323-V339 HydrophobicContact CG2-CG2 4.23Å |
| 324 | Q | 96.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 69.5 Ų | 69.5 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.5 | -26.1 | 179.9 | -171.9 | 58.2 | 86.3 | 0 | 0 | 112.8 | E320 E321 S328 | E320-Q324 WeakPolarHBondContact O-CB 3.49Å; E320-Q324 PolarHBondContact O-N 2.72Å; E320-Q324 VanDerWaalsContact O-N 3.14Å; E321-Q324 PolarHBondContact O-N 3.38Å; Q324-S328 PolarHBondContact O-N 3.43Å; Q324-S328 PolarHBondContact O-OG 2.95Å |
| 325 | R | 96.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 69.3 Ų | 69.3 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -59.5 | 169.6 | 177.2 | 177.3 | 78.2 | -136.9 | 13.8 | 110.2 | D313 E321 T322 A327 S328 | D313-R325 IonicContact OD1-NH2 3.11Å; D313-R325 IonicContact OD2-CZ 2.7Å; D313-R325 IonicContact OD2-NH2 3.33Å; D313-R325 PolarHBondContact OD2-NH2 3.12Å; E321-R325 VanDerWaalsContact O-CB 3.31Å; E321-R325 WeakPolarHBondContact O-CB 3.04Å; E321-R325 PolarHBondContact O-N 2.85Å; T322-R325 WeakPolarHBondContact O-CB 3.48Å; T322-R325 PolarHBondContact O-N 2.8Å; R325-A327 PolarHBondContact O-N 2.88Å; R325-S328 WeakPolarHBondContact O-CB 3.4Å; R325-S328 PolarHBondContact O-N 2.95Å; R325-S328 VanDerWaalsContact O-N 3.13Å |
| 326 | W | 96.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 11% | 0.114 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | -178.8 | -77 | 114.4 | 0 | 0 | 0 | 112.7 | A309 T310 D313 T322 S328 N329 M332 L335 | A309-W326 HydrophobicContact CB-CH2 3.77Å; A309-W326 HydrophobicContact CB-CZ2 4.09Å; T310-W326 HydrophobicContact CG2-CB 4.04Å; T310-W326 HydrophobicContact CG2-CD2 4.26Å; T310-W326 HydrophobicContact CG2-CG 3.95Å; T310-W326 VanDerWaalsContact OG1-CD2 3.29Å; D313-W326 VanDerWaalsContact OD2-CE2 3.3Å; D313-W326 WeakPolarHBondContact OD2-CZ2 3.43Å; D313-W326 PolarHBondContact OD2-NE1 2.99Å; T322-W326 PolarHBondContact O-N 3.42Å; W326-S328 PolarHBondContact O-N 2.88Å; W326-N329 WeakPolarHBondContact O-CB 3.33Å; W326-N329 PolarHBondContact O-N 3.17Å; W326-M332 VanDerWaalsContact O-CB 3.25Å; W326-M332 WeakPolarHBondContact O-CB 3.47Å; W326-L335 HydrophobicContact CB-CD2 3.54Å |
| 327 | A | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V323 R325 M332 L335 V336 | V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.29Å; V323-A327 PolarHBondContact O-N 3.07Å; R325-A327 PolarHBondContact O-N 2.88Å; A327-M332 WeakPolarHBondContact CA-O 3.31Å; A327-L335 HydrophobicContact CB-CB 4.26Å; A327-V336 HydrophobicContact CB-CG2 3.36Å |
| 328 | S | 95.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.2 | 168.7 | -58.4 | 0 | 0 | 0 | 0 | 113 | Q324 R325 W326 | Q324-S328 PolarHBondContact O-N 3.43Å; Q324-S328 PolarHBondContact O-OG 2.95Å; R325-S328 WeakPolarHBondContact O-CB 3.4Å; R325-S328 PolarHBondContact O-N 2.95Å; R325-S328 VanDerWaalsContact O-N 3.13Å; W326-S328 PolarHBondContact O-N 2.88Å |
| 329 | N | 94.5 | Very high | 95.8 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -78.8 | 142.7 | 174.2 | -67 | -5.2 | 0 | 0 | 0 | 110.3 | W326 G331 M332 | W326-N329 WeakPolarHBondContact O-CB 3.33Å; W326-N329 PolarHBondContact O-N 3.17Å; N329-G331 PolarHBondContact O-N 3.44Å; N329-M332 HydrophobicContact CB-CB 4.31Å; N329-M332 HydrophobicContact CB-CG 4.01Å; N329-M332 WeakPolarHBondContact O-CB 3.45Å; N329-M332 PolarHBondContact O-N 2.86Å; N329-M332 VanDerWaalsContact O-N 3.1Å |
| 330 | P | 92 | Very high | 95.8 | Very high | 128 Ų | 128 | 61.1 Ų | 61.1 | 83% | 0.831 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 127.1 | -179.1 | -21.6 | 33.1 | 0 | 0 | 0 | 112.4 | ||
| 331 | G | 90.9 | Very high | 96 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -9.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N329 E333 | N329-G331 PolarHBondContact O-N 3.44Å; G331-E333 WeakPolarHBondContact CA-OE2 3.35Å; G331-E333 VanDerWaalsContact N-CD 3.34Å; G331-E333 PolarHBondContact N-OE1 3.25Å; G331-E333 VanDerWaalsContact N-OE1 3.15Å; G331-E333 PolarHBondContact N-OE2 3.05Å |
| 332 | M | 95.7 | Very high | 96 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | trans | -95.4 | 6.4 | 176.3 | -64.5 | -66.2 | -166.3 | 0 | 0 | 113.1 | L278 D306 L307 W326 A327 N329 S334 L335 | L278-M332 HydrophobicContact CD2-SD 4.29Å; D306-M332 HydrophobicContact CB-CE 3.88Å; L307-M332 HydrophobicContact CD2-CE 3.69Å; L307-M332 HydrophobicContact CD2-SD 3.85Å; L307-M332 HydrophobicContact CG-CE 3.86Å; W326-M332 VanDerWaalsContact O-CB 3.25Å; W326-M332 WeakPolarHBondContact O-CB 3.47Å; A327-M332 WeakPolarHBondContact CA-O 3.31Å; N329-M332 HydrophobicContact CB-CB 4.31Å; N329-M332 HydrophobicContact CB-CG 4.01Å; N329-M332 WeakPolarHBondContact O-CB 3.45Å; N329-M332 PolarHBondContact O-N 2.86Å; N329-M332 VanDerWaalsContact O-N 3.1Å; M332-S334 PolarHBondContact O-N 3.44Å; M332-S334 VanDerWaalsContact O-N 3.11Å; M332-L335 WeakPolarHBondContact O-CB 3.02Å; M332-L335 PolarHBondContact O-N 3.3Å | ||
| 333 | E | 95.2 | Very high | 96.1 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.2 | -170.2 | -58.9 | 85.7 | 171.7 | 0 | 0 | 112.7 | G331 L335 | G331-E333 WeakPolarHBondContact CA-OE2 3.35Å; G331-E333 VanDerWaalsContact N-CD 3.34Å; G331-E333 PolarHBondContact N-OE1 3.25Å; G331-E333 VanDerWaalsContact N-OE1 3.15Å; G331-E333 PolarHBondContact N-OE2 3.05Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 2.91Å |
| 334 | S | 96.7 | Very high | 96 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.1 | 178 | -64.4 | 0 | 0 | 0 | 0 | 114.3 | I274 E277 M332 V336 P337 L338 | I274-S334 VanDerWaalsContact CG2-O 3.32Å; I274-S334 WeakPolarHBondContact CG2-O 3.29Å; E277-S334 WeakPolarHBondContact OE2-CB 3.47Å; E277-S334 PolarHBondContact OE2-OG 2.92Å; M332-S334 PolarHBondContact O-N 3.44Å; M332-S334 VanDerWaalsContact O-N 3.11Å; S334-V336 VanDerWaalsContact C-N 3.33Å; S334-V336 PolarHBondContact O-N 2.71Å; S334-P337 VanDerWaalsContact O-CD 3.22Å; S334-P337 WeakPolarHBondContact O-CD 3.25Å; S334-P337 VanDerWaalsContact O-CG 3.25Å; S334-P337 WeakPolarHBondContact O-CG 3.36Å; S334-L338 PolarHBondContact O-N 3.06Å |
| 335 | L | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 173.6 | -173.2 | 71.2 | 0 | 0 | 0 | 112.1 | L278 T310 F311 L314 W326 A327 M332 E333 L338 V339 | L278-L335 HydrophobicContact CD1-CD1 4.48Å; T310-L335 HydrophobicContact CG2-CD1 3.96Å; T310-L335 HydrophobicContact CG2-CD2 3.57Å; T310-L335 HydrophobicContact CG2-CG 4.43Å; F311-L335 HydrophobicContact CZ-CD1 4.08Å; L314-L335 HydrophobicContact CD1-CD1 4.13Å; W326-L335 HydrophobicContact CB-CD2 3.54Å; A327-L335 HydrophobicContact CB-CB 4.26Å; M332-L335 WeakPolarHBondContact O-CB 3.02Å; M332-L335 PolarHBondContact O-N 3.3Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 2.91Å; L335-L338 PolarHBondContact O-N 3.15Å; L335-V339 HydrophobicContact CD1-CG2 4.39Å; L335-V339 HydrophobicContact CG-CG2 4.36Å; L335-V339 WeakPolarHBondContact O-CG2 3.43Å; L335-V339 PolarHBondContact O-N 2.86Å |
| 336 | V | 97.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.2 | -53.9 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | V323 A327 S334 L338 Q340 | V323-V336 HydrophobicContact CG1-CG2 4.25Å; A327-V336 HydrophobicContact CB-CG2 3.36Å; S334-V336 VanDerWaalsContact C-N 3.33Å; S334-V336 PolarHBondContact O-N 2.71Å; V336-L338 VanDerWaalsContact C-N 3.31Å; V336-L338 PolarHBondContact O-N 3.31Å; V336-Q340 HydrophobicContact CG1-CG 4.39Å; V336-Q340 VanDerWaalsContact O-CB 3.3Å; V336-Q340 WeakPolarHBondContact O-CB 3.4Å; V336-Q340 VanDerWaalsContact O-CG 3.25Å; V336-Q340 WeakPolarHBondContact O-CG 3.3Å; V336-Q340 PolarHBondContact O-N 2.94Å |
| 337 | P | 97.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.4 | -28.8 | 176.9 | 23.2 | -32.6 | 0 | 0 | 0 | 113.9 | I274 S334 S341 | I274-P337 HydrophobicContact CD1-CB 4.25Å; I274-P337 HydrophobicContact CD1-CG 4.4Å; S334-P337 VanDerWaalsContact O-CD 3.22Å; S334-P337 WeakPolarHBondContact O-CD 3.25Å; S334-P337 VanDerWaalsContact O-CG 3.25Å; S334-P337 WeakPolarHBondContact O-CG 3.36Å; P337-S341 WeakPolarHBondContact O-CB 3.35Å; P337-S341 PolarHBondContact O-N 3.33Å |
| 338 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.1 | -58.3 | 173.7 | 178.9 | 61 | 0 | 0 | 0 | 111.1 | E271 I274 L275 L278 F311 S334 L335 V336 Q340 S341 L342 V354 | E271-L338 HydrophobicContact CB-CD1 4.13Å; E271-L338 HydrophobicContact CG-CD1 4.2Å; I274-L338 HydrophobicContact CD1-CB 4.46Å; I274-L338 HydrophobicContact CG2-CB 3.78Å; I274-L338 HydrophobicContact CG2-CD2 4.38Å; I274-L338 HydrophobicContact CG2-CG 4.46Å; L275-L338 HydrophobicContact CD2-CD2 3.82Å; L278-L338 HydrophobicContact CD1-CD2 3.83Å; F311-L338 HydrophobicContact CE1-CD2 4.47Å; F311-L338 HydrophobicContact CZ-CD2 4.1Å; S334-L338 PolarHBondContact O-N 3.06Å; L335-L338 PolarHBondContact O-N 3.15Å; V336-L338 VanDerWaalsContact C-N 3.31Å; V336-L338 PolarHBondContact O-N 3.31Å; L338-Q340 VanDerWaalsContact C-N 3.27Å; L338-Q340 PolarHBondContact O-N 2.78Å; L338-S341 WeakPolarHBondContact O-CA 3.48Å; L338-S341 WeakPolarHBondContact O-CB 3.46Å; L338-S341 PolarHBondContact O-N 3.4Å; L338-L342 HydrophobicContact CD1-CD1 4.09Å; L338-L342 HydrophobicContact CD1-CG 4.29Å; L338-L342 HydrophobicContact CG-CD1 4.01Å; L338-L342 WeakPolarHBondContact O-CG 3.11Å; L338-L342 PolarHBondContact O-N 3.13Å; L338-V354 HydrophobicContact CD2-CG1 4.08Å |
| 339 | V | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | L314 V323 L335 S341 L342 K343 Y351 | L314-V339 HydrophobicContact CD1-CG2 4.12Å; L314-V339 HydrophobicContact CD2-CG2 4.49Å; V323-V339 HydrophobicContact CG1-CB 4.25Å; V323-V339 HydrophobicContact CG1-CG1 4.48Å; V323-V339 HydrophobicContact CG1-CG2 4.24Å; V323-V339 HydrophobicContact CG2-CB 4.38Å; V323-V339 HydrophobicContact CG2-CG1 3.87Å; V323-V339 HydrophobicContact CG2-CG2 4.23Å; L335-V339 HydrophobicContact CD1-CG2 4.39Å; L335-V339 HydrophobicContact CG-CG2 4.36Å; L335-V339 WeakPolarHBondContact O-CG2 3.43Å; L335-V339 PolarHBondContact O-N 2.86Å; V339-S341 VanDerWaalsContact C-N 3.27Å; V339-S341 PolarHBondContact O-N 3.01Å; V339-L342 PolarHBondContact O-N 3.07Å; V339-K343 HydrophobicContact CG1-CD 3.56Å; V339-K343 HydrophobicContact CG1-CG 4.23Å; V339-K343 WeakPolarHBondContact O-CB 3.35Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.25Å; V339-K343 PolarHBondContact O-N 2.89Å; V339-Y351 HydrophobicContact CG2-CE1 4.15Å |
| 340 | Q | 96.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.1 | -21.7 | 174 | -73.5 | -173.6 | 17.1 | 0 | 0 | 114.2 | V336 L338 K344 | V336-Q340 HydrophobicContact CG1-CG 4.39Å; V336-Q340 VanDerWaalsContact O-CB 3.3Å; V336-Q340 WeakPolarHBondContact O-CB 3.4Å; V336-Q340 VanDerWaalsContact O-CG 3.25Å; V336-Q340 WeakPolarHBondContact O-CG 3.3Å; V336-Q340 PolarHBondContact O-N 2.94Å; L338-Q340 VanDerWaalsContact C-N 3.27Å; L338-Q340 PolarHBondContact O-N 2.78Å; Q340-K344 VanDerWaalsContact O-CD 3.28Å; Q340-K344 WeakPolarHBondContact O-CD 3.48Å; Q340-K344 VanDerWaalsContact O-CE 3.25Å; Q340-K344 WeakPolarHBondContact O-CE 3.44Å; Q340-K344 VanDerWaalsContact O-CG 3.24Å; Q340-K344 WeakPolarHBondContact O-CG 3.46Å; Q340-K344 PolarHBondContact O-NZ 2.65Å |
| 341 | S | 96.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.5 | -50.9 | 172.6 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | E271 P337 L338 V339 K343 K344 R345 | E271-S341 WeakPolarHBondContact CG-OG 3.49Å; E271-S341 WeakPolarHBondContact OE1-CB 3.42Å; E271-S341 PolarHBondContact OE1-OG 2.86Å; P337-S341 WeakPolarHBondContact O-CB 3.35Å; P337-S341 PolarHBondContact O-N 3.33Å; L338-S341 WeakPolarHBondContact O-CA 3.48Å; L338-S341 WeakPolarHBondContact O-CB 3.46Å; L338-S341 PolarHBondContact O-N 3.4Å; V339-S341 VanDerWaalsContact C-N 3.27Å; V339-S341 PolarHBondContact O-N 3.01Å; S341-K343 PolarHBondContact O-N 3.01Å; S341-K344 WeakPolarHBondContact O-CB 3.47Å; S341-K344 PolarHBondContact O-N 3Å; S341-R345 PolarHBondContact O-N 2.98Å |
| 342 | L | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.4 | -50.6 | -179 | -63.5 | 170 | 0 | 0 | 0 | 111.2 | F267 E271 L338 V339 K344 R345 M346 P349 Y351 V354 | F267-L342 HydrophobicContact CD1-CD2 4.04Å; F267-L342 HydrophobicContact CE1-CD2 3.85Å; E271-L342 HydrophobicContact CG-CD2 4.41Å; L338-L342 HydrophobicContact CD1-CD1 4.09Å; L338-L342 HydrophobicContact CD1-CG 4.29Å; L338-L342 HydrophobicContact CG-CD1 4.01Å; L338-L342 WeakPolarHBondContact O-CG 3.11Å; L338-L342 PolarHBondContact O-N 3.13Å; V339-L342 PolarHBondContact O-N 3.07Å; L342-K344 PolarHBondContact O-N 2.95Å; L342-R345 PolarHBondContact O-N 3.2Å; L342-M346 HydrophobicContact CD2-SD 4.3Å; L342-M346 PolarHBondContact O-N 2.96Å; L342-P349 HydrophobicContact CB-CB 3.93Å; L342-P349 HydrophobicContact CB-CG 3.78Å; L342-P349 HydrophobicContact CD1-CB 4.39Å; L342-Y351 HydrophobicContact CD1-CE1 4.03Å; L342-V354 HydrophobicContact CD1-CG1 4.23Å; L342-V354 HydrophobicContact CD1-CG2 3.72Å; L342-V354 HydrophobicContact CD2-CG2 4.27Å |
| 343 | K | 95.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -6.9 | 178 | -63 | 174.1 | 77.3 | 117.3 | 0 | 115.1 | D318 V339 S341 P349 | D318-K343 PolarHBondContact O-NZ 3.11Å; D318-K343 IonicContact OD1-NZ 2.77Å; D318-K343 PolarHBondContact OD1-NZ 3.4Å; D318-K343 VanDerWaalsContact OD2-CD 3.22Å; D318-K343 WeakPolarHBondContact OD2-CD 3.32Å; D318-K343 WeakPolarHBondContact OD2-CE 3.48Å; D318-K343 IonicContact OD2-NZ 2.77Å; D318-K343 PolarHBondContact OD2-NZ 2.84Å; V339-K343 HydrophobicContact CG1-CD 3.56Å; V339-K343 HydrophobicContact CG1-CG 4.23Å; V339-K343 WeakPolarHBondContact O-CB 3.35Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.25Å; V339-K343 PolarHBondContact O-N 2.89Å; S341-K343 PolarHBondContact O-N 3.01Å; K343-P349 HydrophobicContact CG-CG 3.96Å |
| 344 | K | 95.6 | Very high | 95.8 | Very high | 159 Ų | 159 | 61.3 Ų | 61.3 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -93.2 | -21 | 169.9 | -67.6 | 172.4 | -170.4 | 112.3 | 0 | 112.7 | Q340 S341 L342 | Q340-K344 VanDerWaalsContact O-CD 3.28Å; Q340-K344 WeakPolarHBondContact O-CD 3.48Å; Q340-K344 VanDerWaalsContact O-CE 3.25Å; Q340-K344 WeakPolarHBondContact O-CE 3.44Å; Q340-K344 VanDerWaalsContact O-CG 3.24Å; Q340-K344 WeakPolarHBondContact O-CG 3.46Å; Q340-K344 PolarHBondContact O-NZ 2.65Å; S341-K344 WeakPolarHBondContact O-CB 3.47Å; S341-K344 PolarHBondContact O-N 3Å; L342-K344 PolarHBondContact O-N 2.95Å |
| 345 | R | 95 | Very high | 95.8 | Very high | 120 Ų | 120 | 61 Ų | 61 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -102.2 | -30.1 | -178.6 | -97.1 | 157.4 | 40.3 | 69.9 | -10 | 112.7 | M266 E271 S341 L342 | M266-R345 PolarHBondContact O-NH2 2.68Å; E271-R345 IonicContact OE1-CZ 2.95Å; E271-R345 IonicContact OE1-NE 3.89Å; E271-R345 PolarHBondContact OE1-NE 2.91Å; E271-R345 IonicContact OE1-NH2 2.69Å; E271-R345 IonicContact OE2-CZ 3.07Å; E271-R345 IonicContact OE2-NE 2.79Å; E271-R345 PolarHBondContact OE2-NE 2.74Å; E271-R345 VanDerWaalsContact OE2-NE 3.07Å; E271-R345 IonicContact OE2-NH2 3.88Å; E271-R345 PolarHBondContact OE2-NH2 3.32Å; S341-R345 PolarHBondContact O-N 2.98Å; L342-R345 PolarHBondContact O-N 3.2Å |
| 346 | M | 92.3 | Very high | 95.7 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -129.3 | 136.1 | -170.2 | -50.9 | 175.9 | 83.5 | 0 | 0 | 109 | L342 P349 | L342-M346 HydrophobicContact CD2-SD 4.3Å; L342-M346 PolarHBondContact O-N 2.96Å; M346-P349 HydrophobicContact CB-CG 4.41Å; M346-P349 HydrophobicContact SD-CB 4.48Å | ||
| 347 | E | 89.1 | Confident | 95.6 | Very high | 202 Ų | 202 | 63 Ų | 63 | 94% | 0.944 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71.5 | -36 | 177.3 | -176.3 | 170.4 | -170.1 | 0 | 0 | 111.5 | ||
| 348 | V | 92 | Very high | 95.6 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 74% | 0.739 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -132.4 | 114.5 | 166.3 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | ||
| 349 | P | 95.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.045 | 30% | 0.301 | C | S | . | . | trans | -68 | 145.7 | 171.5 | -22.9 | 36.5 | 0 | 0 | 0 | 111.8 | L342 K343 M346 Y351 | L342-P349 HydrophobicContact CB-CB 3.93Å; L342-P349 HydrophobicContact CB-CG 3.78Å; L342-P349 HydrophobicContact CD1-CB 4.39Å; K343-P349 HydrophobicContact CG-CG 3.96Å; M346-P349 HydrophobicContact CB-CG 4.41Å; M346-P349 HydrophobicContact SD-CB 4.48Å; P349-Y351 HydrophobicContact CB-CD1 4.44Å; P349-Y351 HydrophobicContact CB-CD2 4.33Å; P349-Y351 HydrophobicContact CB-CE1 3.98Å; P349-Y351 HydrophobicContact CB-CE2 3.87Å; P349-Y351 HydrophobicContact CG-CE1 4.47Å; P349-Y351 HydrophobicContact CG-CE2 4.13Å; P349-Y351 PolarHBondContact O-N 3.49Å | ||
| 350 | D | 96.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 64.1 Ų | 64.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | trans | -88 | 90.9 | 171.6 | -171 | -29.7 | 0 | 0 | 0 | 108.8 | E352 M353 V354 | D350-E352 VanDerWaalsContact C-N 3.29Å; D350-E352 PolarHBondContact O-N 3.2Å; D350-E352 PolarHBondContact OD1-N 3.27Å; D350-M353 HydrophobicContact CB-CB 3.95Å; D350-M353 VanDerWaalsContact CG-CB 3.48Å; D350-M353 PolarHBondContact O-N 2.93Å; D350-M353 WeakPolarHBondContact OD1-CB 3.45Å; D350-M353 PolarHBondContact OD1-N 3.33Å; D350-V354 WeakPolarHBondContact O-CG2 3.31Å; D350-V354 PolarHBondContact O-N 3.03Å | ||
| 351 | Y | 97.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -23.3 | -174.6 | -72.1 | -65.4 | 0 | 0 | 0 | 113.6 | F311 L314 D318 V339 L342 P349 V354 H355 | F311-Y351 HydrophobicContact CD1-CD1 4.12Å; F311-Y351 WeakPolarHBondContact CD1-O 3.28Å; F311-Y351 HydrophobicContact CE1-CD1 4.26Å; L314-Y351 HydrophobicContact CB-CD1 3.96Å; L314-Y351 HydrophobicContact CB-CD2 3.83Å; L314-Y351 HydrophobicContact CB-CE1 4.3Å; L314-Y351 HydrophobicContact CB-CE2 4.17Å; L314-Y351 HydrophobicContact CB-CG 3.72Å; L314-Y351 HydrophobicContact CD1-CD1 4.04Å; L314-Y351 HydrophobicContact CD1-CE1 4.12Å; L314-Y351 VanDerWaalsContact O-CD2 3.31Å; L314-Y351 WeakPolarHBondContact O-CD2 3.46Å; D318-Y351 HydrophobicContact CB-CE2 3.57Å; D318-Y351 WeakPolarHBondContact CB-OH 3.4Å; D318-Y351 PolarHBondContact OD2-OH 3.1Å; V339-Y351 HydrophobicContact CG2-CE1 4.15Å; L342-Y351 HydrophobicContact CD1-CE1 4.03Å; P349-Y351 HydrophobicContact CB-CD1 4.44Å; P349-Y351 HydrophobicContact CB-CD2 4.33Å; P349-Y351 HydrophobicContact CB-CE1 3.98Å; P349-Y351 HydrophobicContact CB-CE2 3.87Å; P349-Y351 HydrophobicContact CG-CE1 4.47Å; P349-Y351 HydrophobicContact CG-CE2 4.13Å; P349-Y351 PolarHBondContact O-N 3.49Å; Y351-V354 PolarHBondContact O-N 2.65Å; Y351-H355 PolarHBondContact O-N 3.21Å |
| 352 | E | 96.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.1 | -52 | 169.7 | -176.3 | 58.4 | -125.3 | 0 | 0 | 109.9 | D350 V354 H355 Q356 | D350-E352 VanDerWaalsContact C-N 3.29Å; D350-E352 PolarHBondContact O-N 3.2Å; D350-E352 PolarHBondContact OD1-N 3.27Å; E352-V354 PolarHBondContact O-N 2.94Å; E352-H355 WeakPolarHBondContact O-CA 3.33Å; E352-H355 WeakPolarHBondContact O-CB 3.5Å; E352-H355 PolarHBondContact O-N 3.48Å; E352-Q356 WeakPolarHBondContact O-CG 3.48Å; E352-Q356 PolarHBondContact O-N 3.13Å; E352-Q356 PolarHBondContact OE1-NE2 3.35Å |
| 353 | M | 95.8 | Very high | 94 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.6 | -30.9 | 176.1 | -168.9 | 58.7 | 58.6 | 0 | 0 | 112.8 | F263 M266 D350 A357 | F263-M353 HydrophobicContact CD1-SD 4.34Å; F263-M353 HydrophobicContact CE1-SD 3.76Å; M266-M353 HydrophobicContact CE-SD 3.96Å; M266-M353 HydrophobicContact SD-CG 3.65Å; M266-M353 HydrophobicContact SD-SD 3.79Å; D350-M353 HydrophobicContact CB-CB 3.95Å; D350-M353 VanDerWaalsContact CG-CB 3.48Å; D350-M353 PolarHBondContact O-N 2.93Å; D350-M353 WeakPolarHBondContact OD1-CB 3.45Å; D350-M353 PolarHBondContact OD1-N 3.33Å; M353-A357 VanDerWaalsContact O-CB 3.25Å; M353-A357 WeakPolarHBondContact O-CB 3.48Å; M353-A357 PolarHBondContact O-N 2.76Å |
| 354 | V | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 172.7 | 178 | 0 | 0 | 0 | 0 | 111.9 | F267 L275 F311 L338 L342 D350 Y351 E352 G358 | F267-V354 HydrophobicContact CE1-CG2 3.6Å; F267-V354 HydrophobicContact CZ-CB 4.39Å; F267-V354 HydrophobicContact CZ-CG2 3.71Å; L275-V354 HydrophobicContact CD2-CG1 3.85Å; F311-V354 HydrophobicContact CD1-CB 4.4Å; F311-V354 HydrophobicContact CD1-CG1 4.21Å; F311-V354 HydrophobicContact CE1-CB 4.08Å; F311-V354 HydrophobicContact CE1-CG1 3.43Å; F311-V354 VanDerWaalsContact CE1-CG1 3.43Å; F311-V354 HydrophobicContact CZ-CG1 3.96Å; L338-V354 HydrophobicContact CD2-CG1 4.08Å; L342-V354 HydrophobicContact CD1-CG1 4.23Å; L342-V354 HydrophobicContact CD1-CG2 3.72Å; L342-V354 HydrophobicContact CD2-CG2 4.27Å; D350-V354 WeakPolarHBondContact O-CG2 3.31Å; D350-V354 PolarHBondContact O-N 3.03Å; Y351-V354 PolarHBondContact O-N 2.65Å; E352-V354 PolarHBondContact O-N 2.94Å; V354-G358 PolarHBondContact O-N 3.32Å |
| 355 | H | 97.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -51.2 | 174.1 | -178.8 | 57.5 | 0 | 0 | 0 | 111.1 | Y279 F311 Y351 E352 A357 G358 L359 | Y279-H355 AromaticContact CE1-ND1 3.85Å; Y279-H355 AromaticContact CZ-ND1 3.78Å; Y279-H355 WeakPolarHBondContact OH-CA 3.5Å; Y279-H355 PolarHBondContact OH-ND1 2.76Å; F311-H355 HydrophobicContact CB-CB 3.92Å; F311-H355 HydrophobicContact CD2-CB 4.3Å; F311-H355 HydrophobicContact CG-CB 3.98Å; Y351-H355 PolarHBondContact O-N 3.21Å; E352-H355 WeakPolarHBondContact O-CA 3.33Å; E352-H355 WeakPolarHBondContact O-CB 3.5Å; E352-H355 PolarHBondContact O-N 3.48Å; H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 PolarHBondContact O-N 2.94Å; H355-G358 WeakPolarHBondContact O-CA 3.43Å; H355-G358 PolarHBondContact O-N 3.3Å; H355-L359 PolarHBondContact O-N 2.97Å |
| 356 | Q | 95.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 177.5 | -58.4 | -56.1 | -30.4 | 0 | 0 | 112.6 | F263 E352 G358 T360 | F263-Q356 HydrophobicContact CE1-CB 4.42Å; F263-Q356 HydrophobicContact CZ-CB 4.46Å; E352-Q356 WeakPolarHBondContact O-CG 3.48Å; E352-Q356 PolarHBondContact O-N 3.13Å; E352-Q356 PolarHBondContact OE1-NE2 3.35Å; Q356-G358 VanDerWaalsContact C-N 3.25Å; Q356-G358 PolarHBondContact O-N 3Å; Q356-T360 WeakPolarHBondContact O-CG2 3.43Å; Q356-T360 PolarHBondContact O-N 3.07Å; Q356-T360 PolarHBondContact O-OG1 3.28Å |
| 357 | A | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -24.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F263 F267 L275 M353 H355 T360 | F263-A357 HydrophobicContact CB-CB 4.07Å; F263-A357 HydrophobicContact CD1-CB 3.43Å; F263-A357 VanDerWaalsContact CD1-CB 3.43Å; F263-A357 HydrophobicContact CE1-CB 3.95Å; F263-A357 HydrophobicContact CG-CB 3.8Å; F267-A357 HydrophobicContact CD2-CB 3.89Å; F267-A357 HydrophobicContact CE2-CB 3.42Å; F267-A357 VanDerWaalsContact CE2-CB 3.42Å; F267-A357 HydrophobicContact CZ-CB 4.23Å; L275-A357 HydrophobicContact CD1-CB 3.88Å; M353-A357 VanDerWaalsContact O-CB 3.25Å; M353-A357 WeakPolarHBondContact O-CB 3.48Å; M353-A357 PolarHBondContact O-N 2.76Å; H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 PolarHBondContact O-N 2.94Å; A357-T360 PolarHBondContact O-OG1 3.19Å |
| 358 | G | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.7 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y279 V354 H355 Q356 T360 C361 | Y279-G358 VanDerWaalsContact CB-O 3.23Å; Y279-G358 WeakPolarHBondContact CB-O 3.27Å; Y279-G358 WeakPolarHBondContact CD1-O 3.21Å; Y279-G358 VanDerWaalsContact CD2-CA 3.48Å; V354-G358 PolarHBondContact O-N 3.32Å; H355-G358 WeakPolarHBondContact O-CA 3.43Å; H355-G358 PolarHBondContact O-N 3.3Å; Q356-G358 VanDerWaalsContact C-N 3.25Å; Q356-G358 PolarHBondContact O-N 3Å; G358-T360 PolarHBondContact O-N 3.23Å; G358-T360 VanDerWaalsContact O-N 3.15Å; G358-C361 PolarHBondContact O-N 3.09Å; G358-C361 PolarHBondContact O-SG 3.47Å |
| 359 | L | 94.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.9 | -36.5 | 175.2 | -67 | 175.1 | 0 | 0 | 0 | 111.4 | Y279 L304 H355 C361 | Y279-L359 HydrophobicContact CD1-CD2 4.18Å; Y279-L359 HydrophobicContact CE1-CD2 3.94Å; Y279-L359 HydrophobicContact CE1-CG 4.14Å; L304-L359 HydrophobicContact CD2-CD2 3.63Å; H355-L359 PolarHBondContact O-N 2.97Å; L359-C361 PolarHBondContact O-N 3.36Å |
| 360 | T | 92.7 | Very high | 94 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 14.3 | -173.8 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | F263 Q356 A357 G358 L366 | F263-T360 HydrophobicContact CE2-CG2 4.11Å; F263-T360 WeakPolarHBondContact CE2-OG1 3.06Å; Q356-T360 WeakPolarHBondContact O-CG2 3.43Å; Q356-T360 PolarHBondContact O-N 3.07Å; Q356-T360 PolarHBondContact O-OG1 3.28Å; A357-T360 PolarHBondContact O-OG1 3.19Å; G358-T360 PolarHBondContact O-N 3.23Å; G358-T360 VanDerWaalsContact O-N 3.15Å; T360-L366 VanDerWaalsContact CB-CD1 3.43Å; T360-L366 HydrophobicContact CG2-CD1 3.72Å; T360-L366 HydrophobicContact CG2-CG 4.29Å; T360-L366 PolarHBondContact O-N 3.42Å |
| 361 | C | 91.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 19.6 | -179 | 76.5 | 0 | 0 | 0 | 0 | 115.3 | Y272 L275 Q276 G358 L359 | Y272-C361 HydrophobicContact CE1-CB 4.15Å; Y272-C361 HydrophobicContact CE2-CB 4.24Å; Y272-C361 WeakPolarHBondContact OH-CB 3.42Å; L275-C361 VanDerWaalsContact C-SG 3.57Å; Q276-C361 HydrophobicContact CG-CB 3.83Å; G358-C361 PolarHBondContact O-N 3.09Å; G358-C361 PolarHBondContact O-SG 3.47Å; L359-C361 PolarHBondContact O-N 3.36Å |
| 362 | D | 87.9 | Confident | 94.2 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -87.9 | -46.7 | -161 | 73 | -39.2 | 0 | 0 | 0 | 116.1 | S136 Y279 F281 R300 | S136-D362 WeakPolarHBondContact CB-OD2 3.26Å; Y279-D362 VanDerWaalsContact O-CB 3.25Å; Y279-D362 WeakPolarHBondContact O-CB 3.38Å; F281-D362 HydrophobicContact CB-CB 4.4Å; F281-D362 PolarHBondContact N-O 2.87Å; R300-D362 IonicContact CZ-OD2 3.66Å; R300-D362 VanDerWaalsContact NH2-CG 3.32Å; R300-D362 IonicContact NH2-OD2 3.85Å; R300-D362 PolarHBondContact NH2-OD2 3.44Å |
| 363 | Y | 85.7 | Confident | 94.2 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -124.8 | -34 | 178.3 | 86 | -87.2 | 0 | 0 | 0 | 111 | Q106 H132 Y133 S136 K283 | Q106-Y363 WeakPolarHBondContact CB-OH 3.47Å; Q106-Y363 PolarHBondContact O-OH 3.41Å; H132-Y363 HydrophobicContact CB-CD2 3.94Å; H132-Y363 HydrophobicContact CB-CE2 4.22Å; Y133-Y363 VanDerWaalsContact CD2-OH 3.28Å; Y133-Y363 WeakPolarHBondContact CD2-OH 3.4Å; S136-Y363 WeakPolarHBondContact OG-CD1 3.48Å; S136-Y363 WeakPolarHBondContact OG-CE1 3.21Å; K283-Y363 WeakPolarHBondContact CE-O 3.5Å; K283-Y363 PolarHBondContact NZ-O 3.15Å |
| 364 | S | 86.6 | Confident | 94.2 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -128.7 | 142 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 365 | E | 88.8 | Confident | 94.2 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | trans | -77.5 | 145.7 | 166.8 | -165.2 | -178.6 | -126.8 | 0 | 0 | 108.6 | K264 Y272 Q276 | K264-E365 WeakPolarHBondContact CE-OE1 3.32Å; K264-E365 WeakPolarHBondContact CE-OE2 3.41Å; K264-E365 IonicContact NZ-OE1 2.75Å; K264-E365 PolarHBondContact NZ-OE1 3.38Å; K264-E365 IonicContact NZ-OE2 2.76Å; K264-E365 PolarHBondContact NZ-OE2 3.18Å; Y272-E365 HydrophobicContact CE1-CG 4.1Å; Y272-E365 WeakPolarHBondContact CE1-OE1 3.45Å; Q276-E365 PolarHBondContact NE2-OE1 3.05Å | ||
| 366 | L | 93.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | trans | -59.7 | 140.9 | 171.2 | -81.9 | 170.2 | 0 | 0 | 0 | 111.8 | N261 F263 T360 Y406 | N261-L366 HydrophobicContact CB-CB 4.1Å; N261-L366 PolarHBondContact ND2-O 2.96Å; F263-L366 HydrophobicContact CD2-CD1 3.92Å; F263-L366 HydrophobicContact CE2-CD1 3.68Å; T360-L366 VanDerWaalsContact CB-CD1 3.43Å; T360-L366 HydrophobicContact CG2-CD1 3.72Å; T360-L366 HydrophobicContact CG2-CG 4.29Å; T360-L366 PolarHBondContact O-N 3.42Å; L366-Y406 HydrophobicContact CD1-CE1 4Å; L366-Y406 WeakPolarHBondContact CD1-OH 3.27Å; L366-Y406 HydrophobicContact CD2-CE1 4.48Å | ||
| 367 | P | 95.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | trans | -42.3 | 136.9 | 171.9 | -32 | 35.7 | 0 | 0 | 0 | 114.9 | S53 V259 N261 | S53-P367 WeakPolarHBondContact O-CG 3.42Å; V259-P367 HydrophobicContact CG1-CB 3.64Å; V259-P367 HydrophobicContact CG2-CB 4.06Å; N261-P367 VanDerWaalsContact CB-O 3.27Å; N261-P367 WeakPolarHBondContact CB-O 3.47Å; N261-P367 PolarHBondContact N-O 3.15Å | ||
| 368 | H | 96.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | trans | -150.3 | 105.9 | 170.9 | -173.1 | 101 | 0 | 0 | 0 | 109.7 | N261 K264 | N261-H368 HydrophobicContact CB-CB 3.91Å; N261-H368 PolarHBondContact N-ND1 3.17Å; N261-H368 PolarHBondContact O-ND1 3.11Å; K264-H368 HydrophobicContact CD-CB 4.21Å | ||
| 369 | H | 97.2 | Very high | 94.4 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -154.1 | 95.1 | 175.4 | 179.5 | 84.9 | 0 | 0 | 0 | 109.4 | W103 V259 S371 E375 | W103-H369 HydrophobicContact CB-CB 4.03Å; W103-H369 HydrophobicContact CD2-CB 3.59Å; W103-H369 AromaticContact CD2-CD2 3.86Å; W103-H369 AromaticContact CD2-CG 3.81Å; W103-H369 HydrophobicContact CE3-CB 3.79Å; W103-H369 AromaticContact CE3-CD2 3.25Å; W103-H369 AromaticContact CE3-CG 3.43Å; W103-H369 VanDerWaalsContact CE3-CG 3.43Å; W103-H369 HydrophobicContact CG-CB 3.74Å; W103-H369 AromaticContact CH2-CD2 3.48Å; W103-H369 VanDerWaalsContact CH2-CD2 3.48Å; W103-H369 WeakPolarHBondContact CH2-CD2 3.39Å; W103-H369 HydrophobicContact CZ3-CB 4.41Å; W103-H369 AromaticContact CZ3-CD2 3.04Å; W103-H369 WeakPolarHBondContact CZ3-CD2 2.98Å; W103-H369 AromaticContact CZ3-CG 3.77Å; V259-H369 HydrophobicContact CG1-CB 4.47Å; V259-H369 PolarHBondContact N-O 2.9Å; V259-H369 CarbonylContact O-C 3.6Å; V259-H369 PolarHBondContact O-N 2.76Å; H369-S371 PolarHBondContact CD2-OG 3.4Å; H369-S371 PolarHBondContact O-N 2.84Å; H369-S371 VanDerWaalsContact O-N 3.1Å; H369-E375 IonicContact NE2-OE1 2.85Å; H369-E375 PolarHBondContact NE2-OE1 2.7Å |
| 370 | I | 97.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | trans | -71.3 | 101.3 | 169.2 | -44.9 | -61.8 | 0 | 0 | 0 | 107.7 | K260 P408 | K260-I370 HydrophobicContact CB-CD1 3.7Å; K260-I370 HydrophobicContact CG-CD1 4.21Å; I370-P408 HydrophobicContact CD1-CG 3.65Å; I370-P408 HydrophobicContact CG2-CG 4.39Å | ||
| 371 | S | 97.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | trans | -73 | 150.9 | -178.3 | -108 | 0 | 0 | 0 | 0 | 111.9 | F257 S258 H369 E375 Q411 | F257-S371 WeakPolarHBondContact O-CB 3.45Å; F257-S371 PolarHBondContact O-OG 3.32Å; S258-S371 PolarHBondContact OG-N 3Å; H369-S371 PolarHBondContact CD2-OG 3.4Å; H369-S371 PolarHBondContact O-N 2.84Å; H369-S371 VanDerWaalsContact O-N 3.1Å; S371-E375 WeakPolarHBondContact OG-CB 3.17Å; S371-Q411 PolarHBondContact O-NE2 3.13Å | ||
| 372 | T | 97.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | trans | -76.7 | 157 | 167.1 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | Q374 E375 I376 | T372-Q374 PolarHBondContact O-N 3.16Å; T372-E375 WeakPolarHBondContact CB-OE2 3.27Å; T372-E375 WeakPolarHBondContact CG2-OE2 3.19Å; T372-E375 PolarHBondContact N-OE2 2.91Å; T372-E375 WeakPolarHBondContact O-CA 3.38Å; T372-E375 PolarHBondContact O-N 3.34Å; T372-E375 WeakPolarHBondContact OG1-CG 3.27Å; T372-E375 PolarHBondContact OG1-N 3.2Å; T372-E375 PolarHBondContact OG1-OE2 2.78Å; T372-I376 PolarHBondContact O-N 2.97Å | ||
| 373 | E | 97.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -49.2 | -34.4 | 173 | 177.3 | 71.7 | 165.7 | 0 | 0 | 112.9 | E377 K418 | E373-E377 WeakPolarHBondContact O-CG 3.39Å; E373-E377 PolarHBondContact O-N 2.88Å; E373-K418 VanDerWaalsContact OE1-CE 3.27Å; E373-K418 WeakPolarHBondContact OE1-CE 3.43Å; E373-K418 IonicContact OE1-NZ 3.98Å; E373-K418 PolarHBondContact OE1-NZ 2.89Å; E373-K418 WeakPolarHBondContact OE2-CE 3.49Å; E373-K418 IonicContact OE2-NZ 3.7Å; E373-K418 PolarHBondContact OE2-NZ 3.01Å |
| 374 | Q | 96.3 | Very high | 95.8 | Very high | 112 Ų | 112 | 49.8 Ų | 49.8 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.2 | -35.7 | 176.7 | -176 | 176.8 | 1.5 | 0 | 0 | 112.8 | T372 Y378 | T372-Q374 PolarHBondContact O-N 3.16Å; Q374-Y378 HydrophobicContact CG-CD2 4.19Å; Q374-Y378 HydrophobicContact CG-CE2 3.63Å; Q374-Y378 PolarHBondContact NE2-OH 2.89Å; Q374-Y378 WeakPolarHBondContact O-CD2 3.4Å; Q374-Y378 VanDerWaalsContact O-CG 3.25Å; Q374-Y378 PolarHBondContact O-N 2.61Å |
| 375 | E | 96.8 | Very high | 96 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73 | -40.4 | 175.9 | -73.6 | 159.8 | 134.9 | 0 | 0 | 111.3 | H369 S371 T372 E377 Y378 L379 | H369-E375 IonicContact NE2-OE1 2.85Å; H369-E375 PolarHBondContact NE2-OE1 2.7Å; S371-E375 WeakPolarHBondContact OG-CB 3.17Å; T372-E375 WeakPolarHBondContact CB-OE2 3.27Å; T372-E375 WeakPolarHBondContact CG2-OE2 3.19Å; T372-E375 PolarHBondContact N-OE2 2.91Å; T372-E375 WeakPolarHBondContact O-CA 3.38Å; T372-E375 PolarHBondContact O-N 3.34Å; T372-E375 WeakPolarHBondContact OG1-CG 3.27Å; T372-E375 PolarHBondContact OG1-N 3.2Å; T372-E375 PolarHBondContact OG1-OE2 2.78Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E375-E377 PolarHBondContact O-N 3.43Å; E375-Y378 PolarHBondContact O-N 3.42Å; E375-L379 WeakPolarHBondContact O-CB 3.49Å; E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 3.49Å |
| 376 | I | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.9 | -48.7 | 169.8 | -65.6 | 166.1 | 0 | 0 | 0 | 109.8 | F257 T372 Y378 L379 I380 I415 K418 | F257-I376 HydrophobicContact CB-CG1 4.45Å; F257-I376 HydrophobicContact CB-CG2 4.38Å; F257-I376 WeakPolarHBondContact O-CG1 3.45Å; T372-I376 PolarHBondContact O-N 2.97Å; I376-Y378 PolarHBondContact O-N 3.1Å; I376-L379 PolarHBondContact O-N 3.06Å; I376-I380 HydrophobicContact CG2-CG1 4.31Å; I376-I380 WeakPolarHBondContact O-CB 3.31Å; I376-I380 WeakPolarHBondContact O-CG1 3.45Å; I376-I380 PolarHBondContact O-N 2.95Å; I376-I415 HydrophobicContact CD1-CD1 4.14Å; I376-I415 HydrophobicContact CD1-CG1 3.95Å; I376-I415 HydrophobicContact CG1-CG1 4.45Å; I376-I415 HydrophobicContact CG2-CG1 4.09Å; I376-K418 HydrophobicContact CG2-CD 3.7Å |
| 377 | E | 97.3 | Very high | 96.1 | Very high | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.2 | -76 | -172.7 | 172.9 | 0 | 0 | 113.5 | E373 E375 Q381 K418 | E373-E377 WeakPolarHBondContact O-CG 3.39Å; E373-E377 PolarHBondContact O-N 2.88Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E375-E377 PolarHBondContact O-N 3.43Å; E377-Q381 VanDerWaalsContact O-CB 3.31Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 3.29Å; E377-K418 IonicContact OE1-NZ 3.5Å; E377-K418 PolarHBondContact OE1-NZ 2.79Å |
| 378 | Y | 96.1 | Very high | 96 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 26% | 0.255 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70 | -30.6 | 175.2 | -67.6 | -25.2 | 0 | 0 | 0 | 113.4 | Y162 Q374 E375 I376 S382 | Y162-Y378 WeakPolarHBondContact CB-O 3.35Å; Y162-Y378 PolarHBondContact N-O 3.16Å; Y162-Y378 WeakPolarHBondContact O-CD1 3.49Å; Q374-Y378 HydrophobicContact CG-CD2 4.19Å; Q374-Y378 HydrophobicContact CG-CE2 3.63Å; Q374-Y378 PolarHBondContact NE2-OH 2.89Å; Q374-Y378 WeakPolarHBondContact O-CD2 3.4Å; Q374-Y378 VanDerWaalsContact O-CG 3.25Å; Q374-Y378 PolarHBondContact O-N 2.61Å; E375-Y378 PolarHBondContact O-N 3.42Å; I376-Y378 PolarHBondContact O-N 3.1Å; Y378-S382 PolarHBondContact O-N 3.43Å; Y378-S382 VanDerWaalsContact O-N 3.08Å |
| 379 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.2 | -46.7 | 173.4 | -76.1 | 164.9 | 0 | 0 | 0 | 111.3 | W103 P161 F256 F257 E375 I376 Q381 S382 V383 | W103-L379 HydrophobicContact CH2-CD1 3.47Å; W103-L379 VanDerWaalsContact CH2-CD1 3.47Å; W103-L379 HydrophobicContact CZ2-CD1 4.43Å; W103-L379 HydrophobicContact CZ3-CD1 4.03Å; P161-L379 HydrophobicContact CB-CD2 4.31Å; P161-L379 HydrophobicContact CB-CG 4.3Å; P161-L379 HydrophobicContact CG-CD2 3.86Å; P161-L379 HydrophobicContact CG-CG 4.08Å; F256-L379 HydrophobicContact CE1-CB 4.36Å; F256-L379 HydrophobicContact CE1-CD2 4.15Å; F256-L379 HydrophobicContact CZ-CD2 4.26Å; F257-L379 HydrophobicContact CD1-CB 3.7Å; F257-L379 HydrophobicContact CE1-CB 4.18Å; E375-L379 WeakPolarHBondContact O-CB 3.49Å; E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 3.49Å; I376-L379 PolarHBondContact O-N 3.06Å; L379-Q381 PolarHBondContact O-N 2.93Å; L379-S382 WeakPolarHBondContact O-CB 3.42Å; L379-S382 PolarHBondContact O-N 2.63Å; L379-V383 WeakPolarHBondContact O-CG2 3.34Å; L379-V383 PolarHBondContact O-N 3.23Å |
| 380 | I | 97.9 | Very high | 95.3 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.6 | -42.3 | 170.8 | -68 | -76.8 | 0 | 0 | 0 | 110.5 | F257 I376 H384 K418 V419 M422 | F257-I380 HydrophobicContact CD1-CD1 3.79Å; F257-I380 HydrophobicContact CD1-CG1 3.81Å; F257-I380 HydrophobicContact CE1-CB 4.43Å; F257-I380 HydrophobicContact CE1-CD1 3.4Å; F257-I380 HydrophobicContact CE1-CG1 3.73Å; F257-I380 HydrophobicContact CE2-CD1 4.43Å; F257-I380 HydrophobicContact CG-CD1 4.48Å; F257-I380 HydrophobicContact CZ-CD1 3.76Å; I376-I380 HydrophobicContact CG2-CG1 4.31Å; I376-I380 WeakPolarHBondContact O-CB 3.31Å; I376-I380 WeakPolarHBondContact O-CG1 3.45Å; I376-I380 PolarHBondContact O-N 2.95Å; I380-H384 WeakPolarHBondContact O-CB 3.28Å; I380-H384 PolarHBondContact O-N 3.3Å; I380-K418 HydrophobicContact CD1-CB 3.89Å; I380-K418 HydrophobicContact CG1-CB 4.05Å; I380-V419 HydrophobicContact CD1-CB 4.39Å; I380-V419 HydrophobicContact CD1-CG2 3.52Å; I380-M422 HydrophobicContact CG2-CB 4.25Å; I380-M422 HydrophobicContact CG2-SD 4.38Å |
| 381 | Q | 95.9 | Very high | 95 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.1 | -34.6 | 177.7 | -174.1 | 57.8 | 96.2 | 0 | 0 | 113.1 | Y162 E377 L379 H384 Y385 | Y162-Q381 HydrophobicContact CD1-CB 4.36Å; Y162-Q381 HydrophobicContact CD1-CG 3.54Å; Y162-Q381 HydrophobicContact CE1-CG 4.16Å; Y162-Q381 HydrophobicContact CG-CB 4.41Å; Y162-Q381 HydrophobicContact CG-CG 3.79Å; E377-Q381 VanDerWaalsContact O-CB 3.31Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 3.29Å; L379-Q381 PolarHBondContact O-N 2.93Å; Q381-H384 PolarHBondContact NE2-ND1 3.19Å; Q381-Y385 WeakPolarHBondContact O-CB 3.48Å; Q381-Y385 PolarHBondContact O-N 2.69Å |
| 382 | S | 94.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 171.9 | -84.3 | 0 | 0 | 0 | 0 | 112.3 | K160 Y162 Y378 L379 H384 Y385 L386 | K160-S382 PolarHBondContact O-OG 2.63Å; Y162-S382 WeakPolarHBondContact CB-OG 3.32Å; Y162-S382 PolarHBondContact N-OG 3.36Å; Y378-S382 PolarHBondContact O-N 3.43Å; Y378-S382 VanDerWaalsContact O-N 3.08Å; L379-S382 WeakPolarHBondContact O-CB 3.42Å; L379-S382 PolarHBondContact O-N 2.63Å; S382-H384 VanDerWaalsContact C-N 3.33Å; S382-H384 PolarHBondContact O-N 3.4Å; S382-Y385 PolarHBondContact O-N 3.39Å; S382-Y385 VanDerWaalsContact O-N 3.14Å; S382-L386 PolarHBondContact O-N 3.05Å |
| 383 | V | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | F51 F256 F257 L379 Y385 L386 L387 M422 | F51-V383 HydrophobicContact CD1-CG1 4.22Å; F51-V383 HydrophobicContact CD1-CG2 3.77Å; F51-V383 HydrophobicContact CE1-CB 4.36Å; F51-V383 HydrophobicContact CE1-CG1 3.97Å; F51-V383 HydrophobicContact CE1-CG2 3.8Å; F51-V383 HydrophobicContact CZ-CG1 4.16Å; F256-V383 HydrophobicContact CD1-CG2 4.3Å; F256-V383 HydrophobicContact CE1-CG2 3.44Å; F256-V383 VanDerWaalsContact CE1-CG2 3.44Å; F256-V383 HydrophobicContact CZ-CG2 3.91Å; F257-V383 HydrophobicContact CE1-CG2 4.03Å; F257-V383 HydrophobicContact CZ-CG2 4.13Å; L379-V383 WeakPolarHBondContact O-CG2 3.34Å; L379-V383 PolarHBondContact O-N 3.23Å; V383-Y385 PolarHBondContact O-N 3.38Å; V383-L386 PolarHBondContact O-N 3.23Å; V383-L387 HydrophobicContact CG1-CD1 3.65Å; V383-L387 HydrophobicContact CG1-CG 4.02Å; V383-L387 WeakPolarHBondContact O-CB 3.44Å; V383-L387 VanDerWaalsContact O-CG 3.32Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 3.3Å; V383-M422 HydrophobicContact CB-CE 4.43Å; V383-M422 HydrophobicContact CB-SD 3.99Å; V383-M422 HydrophobicContact CG1-CE 3.71Å; V383-M422 HydrophobicContact CG1-SD 3.82Å |
| 384 | H | 95.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -46 | 173.3 | 174.1 | -85.5 | 0 | 0 | 0 | 112.5 | I380 Q381 S382 K388 M422 | I380-H384 WeakPolarHBondContact O-CB 3.28Å; I380-H384 PolarHBondContact O-N 3.3Å; Q381-H384 PolarHBondContact NE2-ND1 3.19Å; S382-H384 VanDerWaalsContact C-N 3.33Å; S382-H384 PolarHBondContact O-N 3.4Å; H384-K388 WeakPolarHBondContact O-CB 3.48Å; H384-K388 PolarHBondContact O-N 3Å; H384-M422 HydrophobicContact CB-CG 3.85Å; H384-M422 HydrophobicContact CB-SD 3.86Å; H384-M422 PolarHBondContact N-SD 3.41Å; H384-M422 VanDerWaalsContact N-SD 3.44Å |
| 385 | Y | 91.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 179.4 | -177.4 | -82.7 | 0 | 0 | 0 | 111.8 | I235 Q381 S382 V383 N389 | I235-Y385 HydrophobicContact CD1-CD1 4.24Å; I235-Y385 HydrophobicContact CD1-CE1 3.99Å; Q381-Y385 WeakPolarHBondContact O-CB 3.48Å; Q381-Y385 PolarHBondContact O-N 2.69Å; S382-Y385 PolarHBondContact O-N 3.39Å; S382-Y385 VanDerWaalsContact O-N 3.14Å; V383-Y385 PolarHBondContact O-N 3.38Å; Y385-N389 PolarHBondContact O-ND2 3.24Å |
| 386 | L | 91.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -58.1 | 177.5 | -165.9 | 165.7 | 0 | 0 | 0 | 110.2 | F51 F99 I235 S382 V383 K388 N389 L390 | F51-L386 HydrophobicContact CE1-CD1 4.26Å; F51-L386 HydrophobicContact CZ-CD1 4.15Å; F51-L386 HydrophobicContact CZ-CD2 4.25Å; F99-L386 HydrophobicContact CD1-CD1 3.91Å; F99-L386 HydrophobicContact CE1-CD1 3.66Å; F99-L386 HydrophobicContact CZ-CD1 4.15Å; F99-L386 HydrophobicContact CZ-CD2 4.19Å; I235-L386 HydrophobicContact CG1-CG 4.35Å; S382-L386 PolarHBondContact O-N 3.05Å; V383-L386 PolarHBondContact O-N 3.23Å; L386-K388 VanDerWaalsContact C-N 3.3Å; L386-K388 PolarHBondContact O-N 2.72Å; L386-N389 PolarHBondContact O-N 3.13Å; L386-L390 HydrophobicContact CD2-CD1 3.65Å; L386-L390 HydrophobicContact CD2-CG 4.14Å |
| 387 | L | 93.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -33.4 | -177.1 | -67.9 | -177.5 | 0 | 0 | 0 | 113.5 | F51 L250 V383 N389 L390 M422 L426 | F51-L387 HydrophobicContact CE2-CD2 4.06Å; F51-L387 HydrophobicContact CZ-CD2 4.26Å; L250-L387 HydrophobicContact CD1-CD2 3.8Å; L250-L387 HydrophobicContact CD2-CD1 3.73Å; L250-L387 HydrophobicContact CD2-CD2 3.89Å; L250-L387 HydrophobicContact CD2-CG 4.48Å; V383-L387 HydrophobicContact CG1-CD1 3.65Å; V383-L387 HydrophobicContact CG1-CG 4.02Å; V383-L387 WeakPolarHBondContact O-CB 3.44Å; V383-L387 VanDerWaalsContact O-CG 3.32Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 3.3Å; L387-N389 PolarHBondContact O-N 3.5Å; L387-L390 HydrophobicContact CD2-CD1 4.37Å; L387-L390 PolarHBondContact O-N 3.47Å; L387-L390 VanDerWaalsContact O-N 3.09Å; L387-M422 HydrophobicContact CD1-CE 4.1Å; L387-L426 HydrophobicContact CB-CD1 3.67Å; L387-L426 HydrophobicContact CD1-CD1 4.04Å |
| 388 | K | 92.6 | Very high | 95 | Very high | 142 Ų | 142 | 37.1 Ų | 37.1 | 62% | 0.617 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -59.1 | -26.7 | 175.1 | 178.8 | 177.4 | 175.7 | -175.1 | 0 | 113.6 | H384 L386 L426 | H384-K388 WeakPolarHBondContact O-CB 3.48Å; H384-K388 PolarHBondContact O-N 3Å; L386-K388 VanDerWaalsContact C-N 3.3Å; L386-K388 PolarHBondContact O-N 2.72Å; K388-L426 HydrophobicContact CB-CD2 3.72Å; K388-L426 HydrophobicContact CG-CD2 4.4Å |
| 389 | N | 88.9 | Confident | 95.1 | Very high | 71 Ų | 71 | 34 Ų | 34 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.1 | 179.7 | -70.1 | -71.8 | 0 | 0 | 0 | 113.2 | I235 Y385 L386 L387 | I235-N389 HydrophobicContact CD1-CB 4.43Å; I235-N389 HydrophobicContact CG2-CB 3.77Å; Y385-N389 PolarHBondContact O-ND2 3.24Å; L386-N389 PolarHBondContact O-N 3.13Å; L387-N389 PolarHBondContact O-N 3.5Å |
| 390 | L | 90.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -99.1 | 158.4 | 179 | -59.9 | -170.2 | 0 | 0 | 0 | 111.9 | L49 I238 L239 L242 L386 L387 | L49-L390 HydrophobicContact CD2-CD1 3.67Å; I238-L390 HydrophobicContact CB-CD2 4.31Å; I238-L390 HydrophobicContact CG2-CD1 3.94Å; I238-L390 HydrophobicContact CG2-CD2 3.69Å; L239-L390 HydrophobicContact CD2-CD2 4.05Å; L239-L390 HydrophobicContact CG-CD2 4.06Å; L242-L390 HydrophobicContact CD1-CB 4.33Å; L242-L390 HydrophobicContact CD1-CD1 4.1Å; L242-L390 HydrophobicContact CD1-CD2 4.19Å; L242-L390 HydrophobicContact CD1-CG 4.43Å; L386-L390 HydrophobicContact CD2-CD1 3.65Å; L386-L390 HydrophobicContact CD2-CG 4.14Å; L387-L390 HydrophobicContact CD2-CD1 4.37Å; L387-L390 PolarHBondContact O-N 3.47Å; L387-L390 VanDerWaalsContact O-N 3.09Å |
| 391 | P | 91.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 159.9 | 166.4 | 27.1 | -34.9 | 0 | 0 | 0 | 111.5 | L242 F248 | L242-P391 HydrophobicContact CB-CG 4.13Å; L242-P391 HydrophobicContact CD1-CG 3.95Å; F248-P391 HydrophobicContact CE1-CG 4.02Å; F248-P391 VanDerWaalsContact CE1-O 3.22Å; F248-P391 WeakPolarHBondContact CE1-O 3.37Å; F248-P391 WeakPolarHBondContact CZ-O 3.17Å |
| 392 | N | 92.8 | Very high | 95 | Very high | 110 Ų | 110 | 31.9 Ų | 31.9 | 59% | 0.588 | 16% | 0.161 | S | C | * | . | P | Polyproline II helix | trans | -61.8 | 137.2 | 176 | -63.2 | 49.7 | 0 | 0 | 0 | 111.7 | F248 Y427 | F248-N392 WeakPolarHBondContact CE1-O 3.47Å; N392-Y427 HydrophobicContact CB-CD1 4.46Å; N392-Y427 HydrophobicContact CB-CE1 4.47Å |
| 393 | P | 96.3 | Very high | 95 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 163.8 | 170.7 | 26.2 | -32.2 | 0 | 0 | 0 | 112 | L17 F248 L250 V396 Y427 | L17-P393 HydrophobicContact CD1-CG 4.03Å; L17-P393 WeakPolarHBondContact CD1-O 3.4Å; L17-P393 HydrophobicContact CD2-CG 4.07Å; F248-P393 HydrophobicContact CD2-CB 4.3Å; F248-P393 HydrophobicContact CE1-CB 4.21Å; F248-P393 HydrophobicContact CE2-CB 3.75Å; F248-P393 VanDerWaalsContact CZ-CA 3.5Å; F248-P393 HydrophobicContact CZ-CB 3.7Å; F248-P393 HydrophobicContact CZ-CG 4.35Å; L250-P393 HydrophobicContact CB-CB 3.74Å; L250-P393 HydrophobicContact CB-CG 4.02Å; L250-P393 HydrophobicContact CD2-CG 4.2Å; P393-V396 HydrophobicContact CG-CG2 3.93Å; P393-Y427 HydrophobicContact CG-CE2 4.19Å |
| 394 | T | 97.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -83.8 | -32.7 | 177 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | Y14 H40 L41 A247 F248 | Y14-T394 WeakPolarHBondContact CD2-O 3.22Å; Y14-T394 HydrophobicContact CE2-CG2 4.44Å; H40-T394 HydrophobicContact CB-CG2 4.33Å; L41-T394 HydrophobicContact CD2-CG2 3.79Å; L41-T394 HydrophobicContact CG-CG2 4.2Å; A247-T394 WeakPolarHBondContact CB-OG1 3.34Å; F248-T394 WeakPolarHBondContact O-CB 3.32Å; F248-T394 PolarHBondContact O-N 2.88Å; F248-T394 PolarHBondContact O-OG1 3.34Å |
| 395 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.4 | 169 | 65.6 | 94.6 | 0 | 0 | 0 | 108 | P18 I32 A35 L41 V249 L250 T397 | P18-L395 HydrophobicContact CG-CB 3.79Å; I32-L395 HydrophobicContact CG1-CD1 4.35Å; A35-L395 HydrophobicContact CB-CD2 3.36Å; L41-L395 HydrophobicContact CD1-CD2 3.91Å; L41-L395 HydrophobicContact CG-CD2 4.45Å; V249-L395 HydrophobicContact CG1-CD1 3.75Å; V249-L395 HydrophobicContact CG1-CG 4.37Å; V249-L395 HydrophobicContact CG2-CD1 4.31Å; V249-L395 HydrophobicContact CG2-CD2 4.37Å; V249-L395 HydrophobicContact CG2-CG 4.17Å; L250-L395 PolarHBondContact N-O 3.04Å; L395-T397 HydrophobicContact CD1-CG2 3.68Å |
| 396 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 140.7 | 167 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | L17 P18 V19 W20 L250 P393 I398 L423 | L17-V396 HydrophobicContact CD1-CG2 4.18Å; L17-V396 HydrophobicContact CD2-CG2 3.78Å; L17-V396 HydrophobicContact CG-CG2 4.07Å; P18-V396 PolarHBondContact O-N 3.17Å; V19-V396 WeakPolarHBondContact CA-O 3.41Å; V19-V396 HydrophobicContact CB-CB 4.39Å; V19-V396 HydrophobicContact CG1-CB 4.16Å; V19-V396 HydrophobicContact CG1-CG1 4.4Å; V19-V396 HydrophobicContact CG2-CB 3.98Å; V19-V396 HydrophobicContact CG2-CG2 4.15Å; W20-V396 PolarHBondContact N-O 2.94Å; L250-V396 HydrophobicContact CB-CG1 4.47Å; L250-V396 HydrophobicContact CB-CG2 4.39Å; L250-V396 HydrophobicContact CD2-CG1 4.28Å; L250-V396 HydrophobicContact CD2-CG2 4.22Å; L250-V396 HydrophobicContact CG-CG1 4.19Å; L250-V396 CarbonylContact O-C 3.53Å; L250-V396 VanDerWaalsContact O-CA 3.24Å; L250-V396 WeakPolarHBondContact O-CA 3.25Å; P393-V396 HydrophobicContact CG-CG2 3.93Å; V396-I398 HydrophobicContact CG1-CG1 4.25Å; V396-L423 HydrophobicContact CG1-CD1 4.04Å; V396-L423 HydrophobicContact CG2-CD2 4.5Å |
| 397 | T | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.1 | 168.7 | 36.8 | 0 | 0 | 0 | 0 | 109.3 | W20 V28 I32 L250 D251 I252 L395 | W20-T397 HydrophobicContact CB-CG2 4.23Å; W20-T397 CarbonylContact O-C 3.55Å; W20-T397 WeakPolarHBondContact O-CA 3.14Å; V28-T397 HydrophobicContact CB-CG2 3.69Å; V28-T397 HydrophobicContact CG1-CG2 4.1Å; I32-T397 HydrophobicContact CG1-CG2 4.48Å; L250-T397 PolarHBondContact O-N 3.36Å; L250-T397 PolarHBondContact O-OG1 3.4Å; D251-T397 WeakPolarHBondContact CA-O 3.49Å; D251-T397 VanDerWaalsContact OD1-CB 3.23Å; D251-T397 WeakPolarHBondContact OD1-CB 3.48Å; D251-T397 PolarHBondContact OD1-OG1 3.46Å; I252-T397 PolarHBondContact N-O 3.09Å; I252-T397 VanDerWaalsContact N-O 3.14Å; L395-T397 HydrophobicContact CD1-CG2 3.68Å |
| 398 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.2 | -179.7 | -59.6 | 179 | 0 | 0 | 0 | 107.7 | V19 W20 V21 V22 I252 L254 V396 V419 L420 L423 | V19-I398 HydrophobicContact CG1-CD1 3.81Å; V19-I398 HydrophobicContact CG1-CG1 4.32Å; W20-I398 PolarHBondContact O-N 3Å; V21-I398 WeakPolarHBondContact CA-O 3.16Å; V21-I398 HydrophobicContact CG1-CB 4.45Å; V21-I398 HydrophobicContact CG1-CG2 4.3Å; V21-I398 HydrophobicContact CG2-CB 4.2Å; V21-I398 HydrophobicContact CG2-CD1 4.29Å; V22-I398 PolarHBondContact N-O 3.26Å; I252-I398 VanDerWaalsContact O-CA 3.24Å; I252-I398 WeakPolarHBondContact O-CA 3.39Å; L254-I398 HydrophobicContact CD1-CG2 4.49Å; L254-I398 HydrophobicContact CD2-CG2 3.83Å; L254-I398 HydrophobicContact CG-CG2 4.06Å; V396-I398 HydrophobicContact CG1-CG1 4.25Å; I398-V419 HydrophobicContact CD1-CG1 3.94Å; I398-L420 HydrophobicContact CD1-CD2 3.99Å; I398-L423 HydrophobicContact CD1-CD1 4.03Å |
| 399 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 148.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V22 H25 I252 D253 L254 | V22-A399 HydrophobicContact CG2-CB 4.5Å; H25-A399 HydrophobicContact CB-CB 3.87Å; H25-A399 VanDerWaalsContact CG-CB 3.43Å; H25-A399 VanDerWaalsContact ND1-CB 3.33Å; H25-A399 WeakPolarHBondContact ND1-CB 3.47Å; I252-A399 PolarHBondContact O-N 3.44Å; D253-A399 HydrophobicContact CB-CB 4.44Å; L254-A399 WeakPolarHBondContact CG-O 3.11Å; L254-A399 PolarHBondContact N-O 2.95Å |
| 400 | R | 98.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | trans | -102.8 | -26.9 | 176.2 | -70.7 | -178.2 | 74.2 | -155.4 | 3.3 | 112.7 | V21 V22 E23 L254 S402 C407 V412 D413 Q416 | V21-R400 HydrophobicContact CG1-CG 3.76Å; V22-R400 WeakPolarHBondContact O-CB 3.27Å; V22-R400 VanDerWaalsContact O-CG 3.25Å; V22-R400 WeakPolarHBondContact O-CG 3.44Å; V22-R400 PolarHBondContact O-N 2.71Å; V22-R400 VanDerWaalsContact O-N 3.16Å; E23-R400 PolarHBondContact O-N 3.07Å; E23-R400 IonicContact OE1-CZ 3.43Å; E23-R400 IonicContact OE1-NE 2.63Å; E23-R400 IonicContact OE1-NH1 3.84Å; E23-R400 PolarHBondContact OE1-NH1 3.49Å; E23-R400 WeakPolarHBondContact OE2-CB 3.46Å; E23-R400 IonicContact OE2-CZ 3.29Å; E23-R400 IonicContact OE2-NE 2.69Å; E23-R400 IonicContact OE2-NH1 2.93Å; E23-R400 PolarHBondContact OE2-NH1 3.28Å; L254-R400 HydrophobicContact CD1-CB 4.35Å; L254-R400 HydrophobicContact CD1-CG 3.99Å; R400-S402 PolarHBondContact O-N 3.28Å; R400-S402 VanDerWaalsContact O-N 3.13Å; R400-C407 VanDerWaalsContact O-CB 3.28Å; R400-C407 WeakPolarHBondContact O-CB 3.48Å; R400-V412 HydrophobicContact CB-CG2 4.17Å; R400-D413 IonicContact CZ-OD1 3.49Å; R400-D413 IonicContact NH2-OD1 3.95Å; R400-D413 PolarHBondContact NH2-OD1 3.46Å; R400-Q416 VanDerWaalsContact CD-OE1 3.31Å | ||
| 401 | S | 96.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | trans | 43.1 | 52.5 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | E23 D253 D404 Y406 C407 | E23-S401 PolarHBondContact O-N 3.5Å; E23-S401 VanDerWaalsContact O-N 3.08Å; D253-S401 WeakPolarHBondContact OD2-CB 3.48Å; D253-S401 PolarHBondContact OD2-OG 3Å; S401-D404 WeakPolarHBondContact CA-OD1 3.12Å; S401-Y406 PolarHBondContact O-N 3.26Å; S401-C407 WeakPolarHBondContact O-CA 3.09Å; S401-C407 VanDerWaalsContact O-CB 3.31Å; S401-C407 WeakPolarHBondContact O-CB 3.17Å; S401-C407 PolarHBondContact O-N 3.11Å | ||
| 402 | S | 95.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | trans | -114.8 | -14.7 | -169 | 89.4 | 0 | 0 | 0 | 0 | 113.7 | E23 R400 | E23-S402 PolarHBondContact OE2-OG 3Å; R400-S402 PolarHBondContact O-N 3.28Å; R400-S402 VanDerWaalsContact O-N 3.13Å | ||
| 403 | L | 93.5 | Very high | 96.7 | Very high | 114 Ų | 114 | 33.4 Ų | 33.4 | 60% | 0.597 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -98.6 | -16.4 | 177.1 | -58.5 | -174.8 | 0 | 0 | 0 | 112.7 | E23 A437 | E23-L403 HydrophobicContact CB-CD1 3.98Å; E23-L403 HydrophobicContact CB-CG 4.28Å; E23-L403 HydrophobicContact CG-CD1 3.83Å; E23-L403 HydrophobicContact CG-CG 4.2Å; L403-A437 HydrophobicContact CD1-CB 4.28Å |
| 404 | D | 90.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -98.7 | 3.9 | 174.4 | 51.1 | 25.6 | 0 | 0 | 0 | 112.7 | S401 Y406 | S401-D404 WeakPolarHBondContact CA-OD1 3.12Å; D404-Y406 VanDerWaalsContact C-N 3.27Å; D404-Y406 HydrophobicContact CB-CD2 3.93Å; D404-Y406 HydrophobicContact CB-CE2 4.39Å; D404-Y406 PolarHBondContact O-N 2.75Å; D404-Y406 PolarHBondContact OD1-N 3.1Å |
| 405 | D | 93.3 | Very high | 96.9 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 64.4 | 11.3 | -179 | -101.9 | -70.7 | 0 | 0 | 0 | 115.8 | K260 P262 | K260-D405 WeakPolarHBondContact CB-O 3.35Å; K260-D405 WeakPolarHBondContact CD-O 3.3Å; K260-D405 IonicContact NZ-OD1 3.33Å; K260-D405 PolarHBondContact NZ-OD1 2.61Å; P262-D405 HydrophobicContact CB-CB 3.88Å |
| 406 | Y | 96.5 | Very high | 96.9 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.4 | -49 | -178.7 | -80.6 | -72.9 | 0 | 0 | 0 | 114.1 | H54 I80 V259 K260 P262 L366 S401 D404 | H54-Y406 AromaticContact CE1-CD1 3.52Å; H54-Y406 AromaticContact CE1-CE1 3.86Å; H54-Y406 AromaticContact NE2-CD1 3.95Å; H54-Y406 AromaticContact NE2-CE1 3.87Å; I80-Y406 HydrophobicContact CD1-CD2 4.01Å; I80-Y406 HydrophobicContact CD1-CE2 3.63Å; V259-Y406 CarbonylContact C-O 3.55Å; V259-Y406 WeakPolarHBondContact CA-O 3.36Å; K260-Y406 PolarHBondContact N-O 3.26Å; P262-Y406 HydrophobicContact CG-CE1 4.48Å; L366-Y406 HydrophobicContact CD1-CE1 4Å; L366-Y406 WeakPolarHBondContact CD1-OH 3.27Å; L366-Y406 HydrophobicContact CD2-CE1 4.48Å; S401-Y406 PolarHBondContact O-N 3.26Å; D404-Y406 VanDerWaalsContact C-N 3.27Å; D404-Y406 HydrophobicContact CB-CD2 3.93Å; D404-Y406 HydrophobicContact CB-CE2 4.39Å; D404-Y406 PolarHBondContact O-N 2.75Å; D404-Y406 PolarHBondContact OD1-N 3.1Å |
| 407 | C | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -86.6 | 124.1 | 167.6 | 179 | 0 | 0 | 0 | 0 | 109.2 | D255 R400 S401 S409 | D255-C407 HydrophobicContact CB-CB 4.05Å; R400-C407 VanDerWaalsContact O-CB 3.28Å; R400-C407 WeakPolarHBondContact O-CB 3.48Å; S401-C407 WeakPolarHBondContact O-CA 3.09Å; S401-C407 VanDerWaalsContact O-CB 3.31Å; S401-C407 WeakPolarHBondContact O-CB 3.17Å; S401-C407 PolarHBondContact O-N 3.11Å; C407-S409 PolarHBondContact O-N 2.92Å |
| 408 | P | 97.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | trans | -55 | 123.2 | -176.8 | -28.5 | 36.2 | 0 | 0 | 0 | 113.4 | S258 K260 I370 D410 Q411 V412 | S258-P408 WeakPolarHBondContact O-CD 3.41Å; K260-P408 HydrophobicContact CB-CG 4.31Å; I370-P408 HydrophobicContact CD1-CG 3.65Å; I370-P408 HydrophobicContact CG2-CG 4.39Å; P408-D410 PolarHBondContact O-N 3.44Å; P408-Q411 HydrophobicContact CB-CB 4.21Å; P408-Q411 HydrophobicContact CB-CG 4.08Å; P408-Q411 WeakPolarHBondContact O-CA 3.19Å; P408-Q411 PolarHBondContact O-N 3.29Å; P408-V412 PolarHBondContact O-N 3.21Å | ||
| 409 | S | 95 | Very high | 96.9 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 57% | 0.573 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.3 | -172.9 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | C407 | C407-S409 PolarHBondContact O-N 2.92Š|
| 410 | D | 96.1 | Very high | 96.9 | Very high | 136 Ų | 136 | 40.6 Ų | 40.6 | 73% | 0.727 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.4 | 169.1 | 71.2 | -48.5 | 0 | 0 | 0 | 113.6 | P408 | P408-D410 PolarHBondContact O-N 3.44Š|
| 411 | Q | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -30.5 | -177.5 | -56.9 | -169.5 | -18.5 | 0 | 0 | 113.6 | S258 S371 P408 D413 S414 I415 | S258-Q411 PolarHBondContact OG-OE1 3.42Å; S371-Q411 PolarHBondContact O-NE2 3.13Å; P408-Q411 HydrophobicContact CB-CB 4.21Å; P408-Q411 HydrophobicContact CB-CG 4.08Å; P408-Q411 WeakPolarHBondContact O-CA 3.19Å; P408-Q411 PolarHBondContact O-N 3.29Å; Q411-D413 VanDerWaalsContact C-N 3.34Å; Q411-D413 PolarHBondContact O-N 3.45Å; Q411-D413 VanDerWaalsContact O-N 3.16Å; Q411-S414 WeakPolarHBondContact O-CA 3.33Å; Q411-S414 WeakPolarHBondContact O-CB 3.31Å; Q411-S414 PolarHBondContact O-N 3.5Å; Q411-I415 HydrophobicContact CB-CD1 3.86Å; Q411-I415 HydrophobicContact CB-CG1 4.37Å; Q411-I415 WeakPolarHBondContact O-CG1 3.05Å; Q411-I415 PolarHBondContact O-N 2.97Å |
| 412 | V | 98 | Very high | 97 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -49.6 | -44.9 | -170.9 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | L254 R400 P408 S414 I415 Q416 | L254-V412 HydrophobicContact CD1-CG2 3.66Å; R400-V412 HydrophobicContact CB-CG2 4.17Å; P408-V412 PolarHBondContact O-N 3.21Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 2.76Å; V412-I415 PolarHBondContact O-N 2.99Å; V412-Q416 VanDerWaalsContact O-CB 3.26Å; V412-Q416 WeakPolarHBondContact O-CB 3.25Å; V412-Q416 PolarHBondContact O-N 3.34Å |
| 413 | D | 98.1 | Very high | 97.1 | Very high | 104 Ų | 104 | 42.2 Ų | 42.2 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.6 | -35.5 | 179.1 | -80.7 | -9.2 | 0 | 0 | 0 | 112.8 | R400 Q411 E417 | R400-D413 IonicContact CZ-OD1 3.49Å; R400-D413 IonicContact NH2-OD1 3.95Å; R400-D413 PolarHBondContact NH2-OD1 3.46Å; Q411-D413 VanDerWaalsContact C-N 3.34Å; Q411-D413 PolarHBondContact O-N 3.45Å; Q411-D413 VanDerWaalsContact O-N 3.16Å; D413-E417 PolarHBondContact O-N 3Å |
| 414 | S | 98.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.6 | -46.1 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | Q411 V412 E417 K418 | Q411-S414 WeakPolarHBondContact O-CA 3.33Å; Q411-S414 WeakPolarHBondContact O-CB 3.31Å; Q411-S414 PolarHBondContact O-N 3.5Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 2.76Å; S414-E417 PolarHBondContact O-N 2.85Å; S414-K418 WeakPolarHBondContact O-CB 3.46Å; S414-K418 VanDerWaalsContact O-CG 3.29Å; S414-K418 WeakPolarHBondContact O-CG 3.41Å; S414-K418 PolarHBondContact O-N 3.47Å; S414-K418 VanDerWaalsContact OG-CE 3.27Å; S414-K418 WeakPolarHBondContact OG-CE 3.46Å |
| 415 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.8 | -58.3 | 167.5 | 0 | 0 | 0 | 109.6 | L254 F257 I376 Q411 V412 E417 K418 V419 | L254-I415 HydrophobicContact CB-CB 4.49Å; L254-I415 HydrophobicContact CB-CG2 3.97Å; L254-I415 HydrophobicContact CD2-CG2 4Å; L254-I415 HydrophobicContact CG-CG2 4.46Å; F257-I415 HydrophobicContact CB-CD1 4.31Å; F257-I415 HydrophobicContact CB-CG1 4.46Å; F257-I415 HydrophobicContact CB-CG2 3.65Å; F257-I415 HydrophobicContact CD2-CG2 3.5Å; F257-I415 VanDerWaalsContact CD2-CG2 3.5Å; F257-I415 HydrophobicContact CE2-CG2 4.38Å; F257-I415 HydrophobicContact CG-CG2 3.71Å; I376-I415 HydrophobicContact CD1-CD1 4.14Å; I376-I415 HydrophobicContact CD1-CG1 3.95Å; I376-I415 HydrophobicContact CG1-CG1 4.45Å; I376-I415 HydrophobicContact CG2-CG1 4.09Å; Q411-I415 HydrophobicContact CB-CD1 3.86Å; Q411-I415 HydrophobicContact CB-CG1 4.37Å; Q411-I415 WeakPolarHBondContact O-CG1 3.05Å; Q411-I415 PolarHBondContact O-N 2.97Å; V412-I415 PolarHBondContact O-N 2.99Å; I415-E417 PolarHBondContact O-N 2.88Å; I415-K418 PolarHBondContact O-N 3.18Å; I415-K418 VanDerWaalsContact O-N 3.12Å; I415-V419 HydrophobicContact CG2-CG2 4.31Å; I415-V419 WeakPolarHBondContact O-CG2 3.44Å; I415-V419 PolarHBondContact O-N 3.41Å |
| 416 | Q | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.2 | -51.1 | 177.5 | -172.8 | -176.8 | -108.5 | 0 | 0 | 112.1 | L254 R400 V412 V419 L420 | L254-Q416 HydrophobicContact CD1-CB 3.63Å; L254-Q416 HydrophobicContact CD1-CG 4.18Å; R400-Q416 VanDerWaalsContact CD-OE1 3.31Å; V412-Q416 VanDerWaalsContact O-CB 3.26Å; V412-Q416 WeakPolarHBondContact O-CB 3.25Å; V412-Q416 PolarHBondContact O-N 3.34Å; Q416-V419 PolarHBondContact O-N 3.41Å; Q416-L420 HydrophobicContact CG-CD1 4Å; Q416-L420 HydrophobicContact CG-CG 4.49Å; Q416-L420 WeakPolarHBondContact O-CB 3.49Å; Q416-L420 VanDerWaalsContact O-CG 3.27Å; Q416-L420 WeakPolarHBondContact O-CG 3.41Å; Q416-L420 PolarHBondContact O-N 3.05Å |
| 417 | E | 98.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.7 | -32.1 | 178.4 | -92.4 | -65.7 | 131.9 | 0 | 0 | 112.5 | D413 S414 I415 N421 R424 | D413-E417 PolarHBondContact O-N 3Å; S414-E417 PolarHBondContact O-N 2.85Å; I415-E417 PolarHBondContact O-N 2.88Å; E417-N421 VanDerWaalsContact O-CB 3.26Å; E417-N421 WeakPolarHBondContact O-CB 3.3Å; E417-N421 VanDerWaalsContact O-CG 3.29Å; E417-N421 PolarHBondContact O-N 3.38Å; E417-N421 PolarHBondContact O-ND2 2.9Å; E417-N421 PolarHBondContact OE2-ND2 3.14Å; E417-R424 IonicContact OE1-CZ 3.64Å; E417-R424 IonicContact OE1-NH1 2.77Å; E417-R424 PolarHBondContact OE1-NH1 2.76Å; E417-R424 IonicContact OE1-NH2 3.53Å; E417-R424 PolarHBondContact OE1-NH2 2.66Å; E417-R424 IonicContact OE2-CZ 3.67Å; E417-R424 IonicContact OE2-NH1 3.84Å; E417-R424 PolarHBondContact OE2-NH1 3.07Å; E417-R424 IonicContact OE2-NH2 2.8Å |
| 418 | K | 98.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 171 | -71.9 | 168.9 | -168.7 | -91 | 0 | 111.3 | E373 I376 E377 I380 S414 I415 N421 M422 | E373-K418 VanDerWaalsContact OE1-CE 3.27Å; E373-K418 WeakPolarHBondContact OE1-CE 3.43Å; E373-K418 IonicContact OE1-NZ 3.98Å; E373-K418 PolarHBondContact OE1-NZ 2.89Å; E373-K418 WeakPolarHBondContact OE2-CE 3.49Å; E373-K418 IonicContact OE2-NZ 3.7Å; E373-K418 PolarHBondContact OE2-NZ 3.01Å; I376-K418 HydrophobicContact CG2-CD 3.7Å; E377-K418 IonicContact OE1-NZ 3.5Å; E377-K418 PolarHBondContact OE1-NZ 2.79Å; I380-K418 HydrophobicContact CD1-CB 3.89Å; I380-K418 HydrophobicContact CG1-CB 4.05Å; S414-K418 WeakPolarHBondContact O-CB 3.46Å; S414-K418 VanDerWaalsContact O-CG 3.29Å; S414-K418 WeakPolarHBondContact O-CG 3.41Å; S414-K418 PolarHBondContact O-N 3.47Å; S414-K418 VanDerWaalsContact OG-CE 3.27Å; S414-K418 WeakPolarHBondContact OG-CE 3.46Å; I415-K418 PolarHBondContact O-N 3.18Å; I415-K418 VanDerWaalsContact O-N 3.12Å; K418-N421 PolarHBondContact O-N 2.94Å; K418-M422 WeakPolarHBondContact O-CB 3.44Å; K418-M422 PolarHBondContact O-N 2.67Å |
| 419 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | I252 L254 F257 I380 I398 I415 Q416 N421 M422 L423 | I252-V419 HydrophobicContact CD1-CG1 4.13Å; I252-V419 HydrophobicContact CG2-CG1 4.38Å; L254-V419 HydrophobicContact CD2-CB 4.28Å; L254-V419 HydrophobicContact CD2-CG2 3.85Å; F257-V419 HydrophobicContact CD2-CG2 4.14Å; F257-V419 HydrophobicContact CE2-CG2 3.49Å; F257-V419 VanDerWaalsContact CE2-CG2 3.49Å; F257-V419 HydrophobicContact CZ-CG2 3.74Å; I380-V419 HydrophobicContact CD1-CB 4.39Å; I380-V419 HydrophobicContact CD1-CG2 3.52Å; I398-V419 HydrophobicContact CD1-CG1 3.94Å; I415-V419 HydrophobicContact CG2-CG2 4.31Å; I415-V419 WeakPolarHBondContact O-CG2 3.44Å; I415-V419 PolarHBondContact O-N 3.41Å; Q416-V419 PolarHBondContact O-N 3.41Å; V419-N421 VanDerWaalsContact C-N 3.33Å; V419-N421 PolarHBondContact O-N 3.37Å; V419-M422 HydrophobicContact CG1-CE 4.27Å; V419-M422 WeakPolarHBondContact O-CB 3.35Å; V419-M422 PolarHBondContact O-N 2.68Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.42Å; V419-L423 WeakPolarHBondContact O-CG 3.42Å; V419-L423 PolarHBondContact O-N 2.97Å |
| 420 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.7 | -69.5 | 173.4 | 0 | 0 | 0 | 111.8 | V19 I398 Q416 L423 R424 L432 | V19-L420 HydrophobicContact CG1-CD2 4.06Å; I398-L420 HydrophobicContact CD1-CD2 3.99Å; Q416-L420 HydrophobicContact CG-CD1 4Å; Q416-L420 HydrophobicContact CG-CG 4.49Å; Q416-L420 WeakPolarHBondContact O-CB 3.49Å; Q416-L420 VanDerWaalsContact O-CG 3.27Å; Q416-L420 WeakPolarHBondContact O-CG 3.41Å; Q416-L420 PolarHBondContact O-N 3.05Å; L420-L423 PolarHBondContact O-N 3.32Å; L420-R424 WeakPolarHBondContact O-CB 3.22Å; L420-R424 WeakPolarHBondContact O-CD 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.43Å; L420-L432 HydrophobicContact CD1-CD1 4.42Å; L420-L432 HydrophobicContact CD1-CD2 3.93Å; L420-L432 HydrophobicContact CD2-CD1 3.75Å; L420-L432 HydrophobicContact CD2-CD2 4.31Å |
| 421 | N | 98.6 | Very high | 97.7 | Very high | 81 Ų | 81 | 42.4 Ų | 42.4 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.1 | -74.3 | -55.1 | 0 | 0 | 0 | 112.9 | E417 K418 V419 R424 A425 | E417-N421 VanDerWaalsContact O-CB 3.26Å; E417-N421 WeakPolarHBondContact O-CB 3.3Å; E417-N421 VanDerWaalsContact O-CG 3.29Å; E417-N421 PolarHBondContact O-N 3.38Å; E417-N421 PolarHBondContact O-ND2 2.9Å; E417-N421 PolarHBondContact OE2-ND2 3.14Å; K418-N421 PolarHBondContact O-N 2.94Å; V419-N421 VanDerWaalsContact C-N 3.33Å; V419-N421 PolarHBondContact O-N 3.37Å; N421-R424 VanDerWaalsContact CG-NH1 3.29Å; N421-R424 PolarHBondContact ND2-NH1 2.79Å; N421-R424 PolarHBondContact O-N 2.88Å; N421-R424 PolarHBondContact OD1-NH1 2.84Å; N421-A425 WeakPolarHBondContact O-CB 3.24Å; N421-A425 PolarHBondContact O-N 2.95Å |
| 422 | M | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | 168.1 | 172.1 | -170.6 | 71.8 | 0 | 0 | 111.4 | I252 I380 V383 H384 L387 K418 V419 R424 A425 L426 | I252-M422 HydrophobicContact CD1-CE 4.4Å; I380-M422 HydrophobicContact CG2-CB 4.25Å; I380-M422 HydrophobicContact CG2-SD 4.38Å; V383-M422 HydrophobicContact CB-CE 4.43Å; V383-M422 HydrophobicContact CB-SD 3.99Å; V383-M422 HydrophobicContact CG1-CE 3.71Å; V383-M422 HydrophobicContact CG1-SD 3.82Å; H384-M422 HydrophobicContact CB-CG 3.85Å; H384-M422 HydrophobicContact CB-SD 3.86Å; H384-M422 PolarHBondContact N-SD 3.41Å; H384-M422 VanDerWaalsContact N-SD 3.44Å; L387-M422 HydrophobicContact CD1-CE 4.1Å; K418-M422 WeakPolarHBondContact O-CB 3.44Å; K418-M422 PolarHBondContact O-N 2.67Å; V419-M422 HydrophobicContact CG1-CE 4.27Å; V419-M422 WeakPolarHBondContact O-CB 3.35Å; V419-M422 PolarHBondContact O-N 2.68Å; M422-R424 PolarHBondContact O-N 3Å; M422-A425 WeakPolarHBondContact O-CB 3.25Å; M422-A425 PolarHBondContact O-N 3.24Å; M422-A425 VanDerWaalsContact O-N 3.13Å; M422-L426 HydrophobicContact CG-CD1 3.94Å; M422-L426 WeakPolarHBondContact O-CG 3.28Å; M422-L426 PolarHBondContact O-N 3.18Å |
| 423 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 179.4 | -67.7 | 172.2 | 0 | 0 | 0 | 111.9 | V19 L250 V396 I398 V419 L420 A425 L426 Y427 L430 | V19-L423 HydrophobicContact CG1-CD1 4.43Å; L250-L423 HydrophobicContact CD2-CD2 4.14Å; V396-L423 HydrophobicContact CG1-CD1 4.04Å; V396-L423 HydrophobicContact CG2-CD2 4.5Å; I398-L423 HydrophobicContact CD1-CD1 4.03Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.42Å; V419-L423 WeakPolarHBondContact O-CG 3.42Å; V419-L423 PolarHBondContact O-N 2.97Å; L420-L423 PolarHBondContact O-N 3.32Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.32Å; L423-L426 PolarHBondContact O-N 3.03Å; L423-Y427 HydrophobicContact CD2-CD2 3.98Å; L423-Y427 HydrophobicContact CD2-CE2 3.75Å; L423-Y427 PolarHBondContact O-N 2.82Å; L423-L430 HydrophobicContact CB-CD1 3.97Å; L423-L430 HydrophobicContact CB-CD2 4.45Å |
| 424 | R | 98.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 172 | -69.5 | 160.8 | -162.9 | 155.1 | 2.6 | 111.5 | E417 L420 N421 M422 G428 L430 | E417-R424 IonicContact OE1-CZ 3.64Å; E417-R424 IonicContact OE1-NH1 2.77Å; E417-R424 PolarHBondContact OE1-NH1 2.76Å; E417-R424 IonicContact OE1-NH2 3.53Å; E417-R424 PolarHBondContact OE1-NH2 2.66Å; E417-R424 IonicContact OE2-CZ 3.67Å; E417-R424 IonicContact OE2-NH1 3.84Å; E417-R424 PolarHBondContact OE2-NH1 3.07Å; E417-R424 IonicContact OE2-NH2 2.8Å; L420-R424 WeakPolarHBondContact O-CB 3.22Å; L420-R424 WeakPolarHBondContact O-CD 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.43Å; N421-R424 VanDerWaalsContact CG-NH1 3.29Å; N421-R424 PolarHBondContact ND2-NH1 2.79Å; N421-R424 PolarHBondContact O-N 2.88Å; N421-R424 PolarHBondContact OD1-NH1 2.84Å; M422-R424 PolarHBondContact O-N 3Å; R424-G428 WeakPolarHBondContact O-CA 3.31Å; R424-G428 PolarHBondContact O-N 3.14Å; R424-L430 HydrophobicContact CG-CD1 3.72Å; R424-L430 HydrophobicContact CG-CG 4.09Å |
| 425 | A | 97.7 | Very high | 96.3 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 65% | 0.645 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -71.9 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N421 M422 L423 | N421-A425 WeakPolarHBondContact O-CB 3.24Å; N421-A425 PolarHBondContact O-N 2.95Å; M422-A425 WeakPolarHBondContact O-CB 3.25Å; M422-A425 PolarHBondContact O-N 3.24Å; M422-A425 VanDerWaalsContact O-N 3.13Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.32Å |
| 426 | L | 97.2 | Very high | 94.6 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77 | -44.9 | 178.7 | -69.5 | 171.3 | 0 | 0 | 0 | 113.1 | L387 K388 M422 L423 | L387-L426 HydrophobicContact CB-CD1 3.67Å; L387-L426 HydrophobicContact CD1-CD1 4.04Å; K388-L426 HydrophobicContact CB-CD2 3.72Å; K388-L426 HydrophobicContact CG-CD2 4.4Å; M422-L426 HydrophobicContact CG-CD1 3.94Å; M422-L426 WeakPolarHBondContact O-CG 3.28Å; M422-L426 PolarHBondContact O-N 3.18Å; L423-L426 PolarHBondContact O-N 3.03Å |
| 427 | Y | 96.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 14% | 0.137 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -118.8 | -4.5 | -165.6 | -52.5 | -53.4 | 0 | 0 | 0 | 114.1 | L17 N392 P393 L423 | L17-Y427 HydrophobicContact CD2-CD2 3.44Å; L17-Y427 VanDerWaalsContact CD2-CD2 3.44Å; L17-Y427 HydrophobicContact CD2-CE2 4.22Å; L17-Y427 HydrophobicContact CD2-CG 3.66Å; N392-Y427 HydrophobicContact CB-CD1 4.46Å; N392-Y427 HydrophobicContact CB-CE1 4.47Å; P393-Y427 HydrophobicContact CG-CE2 4.19Å; L423-Y427 HydrophobicContact CD2-CD2 3.98Å; L423-Y427 HydrophobicContact CD2-CE2 3.75Å; L423-Y427 PolarHBondContact O-N 2.82Å |
| 428 | G | 95.1 | Very high | 89.8 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | trans | 80.2 | -132.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R424 L430 | R424-G428 WeakPolarHBondContact O-CA 3.31Å; R424-G428 PolarHBondContact O-N 3.14Å; G428-L430 PolarHBondContact O-N 2.69Å; G428-L430 VanDerWaalsContact O-N 3.08Å | ||
| 429 | N | 93.4 | Very high | 86.9 | Confident | 138 Ų | 138 | 57.1 Ų | 57.1 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.5 | 101.3 | -174.7 | -76.9 | -33.1 | 0 | 0 | 0 | 111.9 | K16 | K16-N429 WeakPolarHBondContact CB-O 3.34Å; K16-N429 WeakPolarHBondContact CG-O 3.38Å |
| 430 | L | 96.4 | Very high | 83.7 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 158.3 | 174.1 | -50.8 | 179.1 | 0 | 0 | 0 | 112.4 | K16 L17 V19 L423 R424 G428 | K16-L430 WeakPolarHBondContact CD-O 3.4Å; K16-L430 PolarHBondContact NZ-O 3.36Å; L17-L430 HydrophobicContact CB-CD2 4.27Å; L17-L430 HydrophobicContact CD2-CD2 4.13Å; L17-L430 HydrophobicContact CG-CD2 4.48Å; V19-L430 HydrophobicContact CG2-CB 4.17Å; V19-L430 HydrophobicContact CG2-CD1 3.97Å; V19-L430 HydrophobicContact CG2-CD2 3.95Å; V19-L430 HydrophobicContact CG2-CG 4.24Å; L423-L430 HydrophobicContact CB-CD1 3.97Å; L423-L430 HydrophobicContact CB-CD2 4.45Å; R424-L430 HydrophobicContact CG-CD1 3.72Å; R424-L430 HydrophobicContact CG-CG 4.09Å; G428-L430 PolarHBondContact O-N 2.69Å; G428-L430 VanDerWaalsContact O-N 3.08Å |
| 431 | D | 97.1 | Very high | 81 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 80.4 | 162.9 | -168.3 | 3.1 | 0 | 0 | 0 | 107.4 | K16 L17 P18 V19 Q433 | K16-D431 HydrophobicContact CB-CB 3.91Å; K16-D431 HydrophobicContact CD-CB 3.93Å; L17-D431 PolarHBondContact O-N 2.81Å; P18-D431 WeakPolarHBondContact CA-O 3.37Å; V19-D431 PolarHBondContact N-O 2.91Å; D431-Q433 PolarHBondContact OD1-NE2 2.97Å; D431-Q433 VanDerWaalsContact OD1-NE2 3.11Å |
| 432 | L | 96.4 | Very high | 77.9 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.8 | -173.8 | 177.2 | 62.2 | 0 | 0 | 0 | 110.4 | V19 V21 L420 V434 | V19-L432 HydrophobicContact CB-CD1 4.12Å; V19-L432 HydrophobicContact CG1-CD1 4.01Å; V19-L432 WeakPolarHBondContact O-CA 3.49Å; V21-L432 HydrophobicContact CG2-CD1 3.76Å; L420-L432 HydrophobicContact CD1-CD1 4.42Å; L420-L432 HydrophobicContact CD1-CD2 3.93Å; L420-L432 HydrophobicContact CD2-CD1 3.75Å; L420-L432 HydrophobicContact CD2-CD2 4.31Å; L432-V434 HydrophobicContact CD1-CG2 4.15Å; L432-V434 HydrophobicContact CD2-CG2 4.44Å; L432-V434 HydrophobicContact CG-CG2 4.13Å |
| 433 | Q | 94.8 | Very high | 76.9 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.6 | 176.3 | -55 | -68.1 | -29.5 | 0 | 0 | 107.3 | V19 W20 V21 D431 Y435 | V19-Q433 PolarHBondContact O-N 2.77Å; W20-Q433 WeakPolarHBondContact CA-O 3.5Å; W20-Q433 HydrophobicContact CD2-CB 4.48Å; W20-Q433 HydrophobicContact CE3-CB 3.52Å; W20-Q433 HydrophobicContact CE3-CG 3.94Å; W20-Q433 HydrophobicContact CH2-CG 4.1Å; W20-Q433 HydrophobicContact CZ3-CB 3.57Å; W20-Q433 HydrophobicContact CZ3-CG 3.56Å; V21-Q433 PolarHBondContact N-O 2.79Å; D431-Q433 PolarHBondContact OD1-NE2 2.97Å; D431-Q433 VanDerWaalsContact OD1-NE2 3.11Å; Q433-Y435 HydrophobicContact CB-CE2 4.03Å |
| 434 | V | 90.4 | Very high | 75.7 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.1 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 108 | V21 L432 | V21-V434 HydrophobicContact CB-CB 4.43Å; V21-V434 HydrophobicContact CB-CG1 4.24Å; V21-V434 HydrophobicContact CB-CG2 4.17Å; V21-V434 HydrophobicContact CG1-CG1 4.43Å; V21-V434 HydrophobicContact CG2-CG2 4.19Å; L432-V434 HydrophobicContact CD1-CG2 4.15Å; L432-V434 HydrophobicContact CD2-CG2 4.44Å; L432-V434 HydrophobicContact CG-CG2 4.13Å |
| 435 | Y | 83.3 | Confident | 74.5 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 20% | 0.2 | 47% | 0.469 | C | S | . | . | trans | -105.5 | 139.9 | 174.7 | -72.6 | -102.1 | 0 | 0 | 0 | 108.6 | W20 V21 F31 Q433 | W20-Y435 AromaticContact CE3-CE2 3.75Å; W20-Y435 HydrophobicContact CE3-CE2 3.75Å; W20-Y435 AromaticContact CZ3-CE2 3.88Å; W20-Y435 HydrophobicContact CZ3-CE2 3.88Å; V21-Y435 PolarHBondContact O-N 2.72Å; F31-Y435 HydrophobicContact CE1-CD2 4Å; F31-Y435 HydrophobicContact CE1-CE1 4.36Å; F31-Y435 AromaticContact CE1-CE2 3.44Å; F31-Y435 HydrophobicContact CE1-CE2 3.44Å; F31-Y435 VanDerWaalsContact CE1-CE2 3.44Å; F31-Y435 AromaticContact CE1-CZ 3.63Å; F31-Y435 HydrophobicContact CZ-CD1 4.22Å; F31-Y435 AromaticContact CZ-CD2 3.64Å; F31-Y435 HydrophobicContact CZ-CD2 3.64Å; F31-Y435 HydrophobicContact CZ-CE1 4.11Å; F31-Y435 AromaticContact CZ-CE2 3.55Å; F31-Y435 HydrophobicContact CZ-CE2 3.55Å; F31-Y435 AromaticContact CZ-CG 4Å; F31-Y435 HydrophobicContact CZ-CG 4Å; F31-Y435 AromaticContact CZ-CZ 3.78Å; Q433-Y435 HydrophobicContact CB-CE2 4.03Å | ||
| 436 | A | 62.6 | Low | 73.1 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | trans | -110.1 | 152.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108 | E438 S439 | A436-E438 PolarHBondContact O-N 3.4Å; A436-S439 PolarHBondContact N-OG 2.98Å; A436-S439 WeakPolarHBondContact O-CB 3.41Å; A436-S439 PolarHBondContact O-N 3.05Å; A436-S439 PolarHBondContact O-OG 3.38Å | ||
| 437 | A | 53.6 | Low | 71.6 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -23.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L403 S439 | L403-A437 HydrophobicContact CD1-CB 4.28Å; A437-S439 PolarHBondContact O-N 2.93Å; A437-S439 VanDerWaalsContact O-N 3.15Å |
| 438 | E | 41.5 | Very low | 70 | Confident | 201 Ų | 201 | 81.8 Ų | 81.8 | 94% | 0.939 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 1.4 | 172.2 | -61.5 | -166.3 | 156.6 | 0 | 0 | 114.9 | A436 | A436-E438 PolarHBondContact O-N 3.4Š|
| 439 | S | 38.4 | Very low | 68.2 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | trans | -126 | 45.1 | -168 | 65.4 | 0 | 0 | 0 | 0 | 115.6 | A436 A437 | A436-S439 PolarHBondContact N-OG 2.98Å; A436-S439 WeakPolarHBondContact O-CB 3.41Å; A436-S439 PolarHBondContact O-N 3.05Å; A436-S439 PolarHBondContact O-OG 3.38Å; A437-S439 PolarHBondContact O-N 2.93Å; A437-S439 VanDerWaalsContact O-N 3.15Å | ||
| 440 | S | 31.1 | Very low | 66.3 | Low | 90 Ų | 90 | 81.1 Ų | 81.1 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | trans | -45.9 | 124.6 | 174.9 | -40.5 | 0 | 0 | 0 | 0 | 112.3 | S442 | S440-S442 PolarHBondContact O-N 2.83Š| ||
| 441 | P | 41.9 | Very low | 63.8 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 41% | 0.409 | 52% | 0.524 | S | S | . | . | trans | -72 | 131 | -171.1 | 26.9 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 442 | S | 34.2 | Very low | 60.7 | Low | 196 Ų | 196 | 89.4 Ų | 89.4 | 100% | 1.371 | 55% | 0.545 | S | S | * | . | trans | -82.8 | 0 | 178.1 | -43.9 | 0 | 0 | 0 | 0 | 114.7 | S440 | S440-S442 PolarHBondContact O-N 2.83Š|
Retrieved 442 of 442 residues in 139 ms
(Link to these results)